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 3ea5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSTAEFAQLL ENSILSPDQN IRLTSETQLK KLSNDNFLQF AGLSSQVLID DATA SEQUENCE ENTKLEGRIL AALTLKNELV SKDSVKTQQF AQRWITQVSP EAKNQIKTNA DATA SEQUENCE LTALVSIEPR IANAAAQLIA AIADIELPHG AWPELMKIMV DNTGAEQPEN DATA SEQUENCE VKRASLLALG YMCESADPQS QXXVSSSNNI LIAIVQGAQS TETSKAVRLA DATA SEQUENCE ALNALADSLI FIKNNMEREG ERNYLMQVVC EATQAEDIEV QAAAFGCLCK DATA SEQUENCE IMSKYYTFMK PYMEQALYAL TIATMKSPND KVASMTVEFW STICEEEIDI DATA SEQUENCE AYELAQFPQS PLQSYNFALS SIKDVVPNLL NLLTRQNEDP EDDDWNVSMS DATA SEQUENCE AGACLQLFAQ NCGNHILEPV LEFVEQNITA DNWRNREAAV MAFGSIMDGP DATA SEQUENCE DKVQRTYYVH QALPSILNLM NDQSLQVKET TAWCIGRIAD SVAESIDPQQ DATA SEQUENCE HLPGVVQACL IGLQDHPKVA TNCSWTIINL VEQLAEATPS PIYNFYPALV DATA SEQUENCE DGLIGAANRI DNEFNARASA FSALTTMVEY ATDTVAETSA SISTFVMDKL DATA SEQUENCE GQTMSVDENQ LTLEDAQSLQ ELQSNILTVL AAVIRKSPSS VEPVADMLMG DATA SEQUENCE LFFRLLEKKD SAFIEDDVFY AISALAASLG KGFEKYLETF SPYLLKALNQ DATA SEQUENCE VDSPVSITAV GFIADISNSL EEDFRRYSDA MMNVLAQMIS NPNARRELKP DATA SEQUENCE AVLSVFGDIA SNIGADFIPY LNDIMALCVA AQNTKPENGT LEALDYQIKV DATA SEQUENCE LEAVLDAYVG IVAGLHDKPE ALFPYVGTIF QFIAQVAEDP QLYSEDATSR DATA SEQUENCE AAVGLIGDIA AMFPDGSIKQ FYGQDWVIDY IKRTRSGQLF SQATKDTARW DATA SEQUENCE AREQQKRQLS L 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 0.000 176.303 176.300 0.006 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.639 32.600 0.065 0.000 1.302 2 S N 1.774 117.489 115.700 0.024 0.000 2.687 2 S HA 0.495 4.956 4.470 -0.015 0.000 0.283 2 S C 0.672 175.292 174.600 0.033 0.000 1.170 2 S CA 0.104 58.310 58.200 0.010 0.000 1.008 2 S CB 1.567 64.775 63.200 0.013 0.000 1.026 2 S HN 0.778 nan 8.310 nan 0.000 0.541 3 T N 2.036 116.596 114.554 0.009 0.000 2.653 3 T HA -0.182 4.159 4.350 -0.015 0.000 0.268 3 T C 2.104 176.852 174.700 0.079 0.000 1.035 3 T CA 2.128 64.247 62.100 0.032 0.000 1.154 3 T CB -1.008 67.861 68.868 0.002 0.000 0.862 3 T HN 0.864 nan 8.240 nan 0.000 0.441 4 A N 1.287 124.136 122.820 0.048 0.000 1.898 4 A HA -0.110 4.201 4.320 -0.015 0.000 0.216 4 A C 2.203 179.816 177.584 0.049 0.000 1.181 4 A CA 1.631 53.692 52.037 0.040 0.000 0.620 4 A CB -0.501 18.512 19.000 0.021 0.000 0.819 4 A HN 0.603 nan 8.150 nan 0.000 0.442 5 E N -1.513 118.725 120.200 0.063 0.000 2.106 5 E HA -0.146 4.195 4.350 -0.015 0.000 0.192 5 E C 1.721 178.375 176.600 0.089 0.000 0.984 5 E CA 1.162 57.600 56.400 0.063 0.000 0.806 5 E CB -0.238 29.502 29.700 0.066 0.000 0.750 5 E HN 0.681 nan 8.360 nan 0.000 0.458 6 F N 1.408 121.345 119.950 -0.023 0.000 2.146 6 F HA -0.100 4.418 4.527 -0.015 0.000 0.298 6 F C 2.228 178.007 175.800 -0.035 0.000 1.096 6 F CA 1.227 59.208 58.000 -0.032 0.000 1.275 6 F CB -0.231 38.732 39.000 -0.062 0.000 1.008 6 F HN -0.058 nan 8.300 nan 0.000 0.480 7 A N -0.378 122.477 122.820 0.059 0.000 1.940 7 A HA -0.265 4.046 4.320 -0.015 0.000 0.219 7 A C 2.069 179.605 177.584 -0.080 0.000 1.176 7 A CA 1.845 53.865 52.037 -0.028 0.000 0.631 7 A CB -0.887 18.125 19.000 0.020 0.000 0.814 7 A HN 0.488 nan 8.150 nan 0.000 0.446 8 Q N -0.168 119.600 119.800 -0.053 0.000 2.050 8 Q HA -0.053 4.278 4.340 -0.015 0.000 0.202 8 Q C 1.935 177.881 176.000 -0.090 0.000 0.980 8 Q CA 1.478 57.250 55.803 -0.053 0.000 0.840 8 Q CB -0.467 28.256 28.738 -0.024 0.000 0.898 8 Q HN 0.656 nan 8.270 nan 0.000 0.424 9 L N -0.408 120.734 121.223 -0.136 0.000 2.013 9 L HA -0.258 4.073 4.340 -0.015 0.000 0.212 9 L C 2.290 179.032 176.870 -0.214 0.000 1.073 9 L CA 1.365 56.097 54.840 -0.180 0.000 0.753 9 L CB -0.520 41.380 42.059 -0.264 0.000 0.890 9 L HN 0.330 nan 8.230 nan 0.000 0.432 10 L N -0.584 120.452 121.223 -0.312 0.000 1.970 10 L HA -0.267 4.064 4.340 -0.015 0.000 0.212 10 L C 2.520 179.315 176.870 -0.126 0.000 1.071 10 L CA 1.583 56.279 54.840 -0.241 0.000 0.751 10 L CB -0.584 41.322 42.059 -0.255 0.000 0.889 10 L HN 0.276 nan 8.230 nan 0.000 0.432 11 E N -0.054 120.086 120.200 -0.101 0.000 2.085 11 E HA -0.221 4.120 4.350 -0.015 0.000 0.194 11 E C 1.918 178.488 176.600 -0.050 0.000 0.994 11 E CA 1.321 57.685 56.400 -0.060 0.000 0.801 11 E CB -0.147 29.526 29.700 -0.045 0.000 0.743 11 E HN 0.446 nan 8.360 nan 0.000 0.453 12 N N 0.147 118.813 118.700 -0.056 0.000 2.331 12 N HA -0.052 4.679 4.740 -0.015 0.000 0.180 12 N C 1.730 177.218 175.510 -0.037 0.000 1.019 12 N CA 0.572 53.598 53.050 -0.041 0.000 0.881 12 N CB -0.164 38.300 38.487 -0.039 0.000 0.972 12 N HN -0.042 nan 8.380 nan 0.000 0.435 13 S N 0.809 116.480 115.700 -0.048 0.000 2.383 13 S HA -0.081 4.380 4.470 -0.015 0.000 0.229 13 S C 1.825 176.411 174.600 -0.024 0.000 1.030 13 S CA 1.164 59.342 58.200 -0.036 0.000 1.002 13 S CB -0.056 63.117 63.200 -0.045 0.000 0.829 13 S HN 0.584 nan 8.310 nan 0.000 0.467 14 I N -3.456 117.099 120.570 -0.025 0.000 4.403 14 I HA 0.336 4.497 4.170 -0.015 0.000 0.331 14 I C 1.156 177.264 176.117 -0.014 0.000 1.327 14 I CA 0.205 61.496 61.300 -0.016 0.000 1.175 14 I CB 0.133 38.124 38.000 -0.014 0.000 1.165 14 I HN 0.062 nan 8.210 nan 0.000 0.413 15 L N 0.433 121.645 121.223 -0.018 0.000 2.575 15 L HA 0.279 4.610 4.340 -0.015 0.000 0.228 15 L C 1.264 178.126 176.870 -0.012 0.000 1.075 15 L CA 0.088 54.920 54.840 -0.014 0.000 0.867 15 L CB 0.242 42.292 42.059 -0.016 0.000 1.097 15 L HN 0.224 nan 8.230 nan 0.000 0.485 16 S N 0.873 116.565 115.700 -0.014 0.000 2.531 16 S HA 0.141 4.602 4.470 -0.015 0.000 0.279 16 S C -1.375 173.220 174.600 -0.008 0.000 1.305 16 S CA -1.138 57.055 58.200 -0.011 0.000 1.058 16 S CB 1.055 64.247 63.200 -0.013 0.000 0.899 16 S HN -0.057 nan 8.310 nan 0.000 0.493 17 P HA -0.031 nan 4.420 nan 0.000 0.218 17 P C -0.039 177.258 177.300 -0.005 0.000 1.149 17 P CA 0.661 63.758 63.100 -0.005 0.000 0.817 17 P CB -0.017 31.680 31.700 -0.004 0.000 0.785 18 D N 0.199 120.596 120.400 -0.005 0.000 2.339 18 D HA -0.047 4.584 4.640 -0.015 0.000 0.256 18 D C 1.239 177.536 176.300 -0.005 0.000 1.214 18 D CA 0.033 54.030 54.000 -0.004 0.000 0.877 18 D CB 0.693 41.491 40.800 -0.004 0.000 1.111 18 D HN 0.196 nan 8.370 nan 0.000 0.478 19 Q N 3.796 123.594 119.800 -0.004 0.000 2.224 19 Q HA -0.184 4.147 4.340 -0.015 0.000 0.203 19 Q C 0.425 176.423 176.000 -0.003 0.000 0.970 19 Q CA 0.950 56.751 55.803 -0.003 0.000 0.865 19 Q CB 0.071 28.808 28.738 -0.002 0.000 0.922 19 Q HN 0.324 nan 8.270 nan 0.000 0.445 20 N N 0.967 119.665 118.700 -0.003 0.000 2.300 20 N HA 0.014 4.745 4.740 -0.015 0.000 0.179 20 N C 1.828 177.336 175.510 -0.003 0.000 1.016 20 N CA 0.930 53.979 53.050 -0.002 0.000 0.876 20 N CB -0.054 38.433 38.487 -0.001 0.000 0.979 20 N HN 0.348 nan 8.380 nan 0.000 0.432 21 I N 1.060 121.627 120.570 -0.005 0.000 2.286 21 I HA -0.214 3.947 4.170 -0.015 0.000 0.248 21 I C 2.287 178.398 176.117 -0.010 0.000 1.115 21 I CA 0.882 62.178 61.300 -0.007 0.000 1.392 21 I CB -0.060 37.935 38.000 -0.008 0.000 1.065 21 I HN 0.090 nan 8.210 nan 0.000 0.418 22 R N 0.260 120.754 120.500 -0.009 0.000 2.062 22 R HA -0.182 4.149 4.340 -0.015 0.000 0.231 22 R C 2.321 178.617 176.300 -0.008 0.000 1.136 22 R CA 1.301 57.395 56.100 -0.011 0.000 0.948 22 R CB -0.607 29.688 30.300 -0.008 0.000 0.845 22 R HN 0.213 nan 8.270 nan 0.000 0.430 23 L N 0.826 122.047 121.223 -0.004 0.000 1.989 23 L HA -0.189 4.142 4.340 -0.015 0.000 0.211 23 L C 2.149 179.019 176.870 0.000 0.000 1.071 23 L CA 1.982 56.822 54.840 -0.000 0.000 0.749 23 L CB -0.740 41.320 42.059 0.001 0.000 0.890 23 L HN 0.100 nan 8.230 nan 0.000 0.431 24 T N -0.894 113.660 114.554 -0.001 0.000 2.665 24 T HA -0.188 4.153 4.350 -0.015 0.000 0.268 24 T C 1.914 176.613 174.700 -0.000 0.000 1.035 24 T CA 1.811 63.912 62.100 0.001 0.000 1.151 24 T CB -0.282 68.586 68.868 0.000 0.000 0.862 24 T HN 0.491 nan 8.240 nan 0.000 0.438 25 S N 0.687 116.382 115.700 -0.009 0.000 2.368 25 S HA -0.067 4.394 4.470 -0.015 0.000 0.224 25 S C 1.999 176.590 174.600 -0.015 0.000 1.029 25 S CA 0.848 59.036 58.200 -0.020 0.000 0.988 25 S CB -0.266 62.912 63.200 -0.037 0.000 0.838 25 S HN 0.563 nan 8.310 nan 0.000 0.462 26 E N 0.839 121.034 120.200 -0.008 0.000 2.077 26 E HA -0.154 4.187 4.350 -0.015 0.000 0.193 26 E C 1.746 178.356 176.600 0.016 0.000 0.989 26 E CA 1.483 57.885 56.400 0.004 0.000 0.800 26 E CB -0.093 29.610 29.700 0.005 0.000 0.746 26 E HN 0.454 nan 8.360 nan 0.000 0.452 27 T N 0.502 115.064 114.554 0.013 0.000 2.777 27 T HA -0.188 4.153 4.350 -0.015 0.000 0.266 27 T C 1.827 176.543 174.700 0.026 0.000 1.040 27 T CA 1.312 63.422 62.100 0.017 0.000 1.141 27 T CB -0.176 68.699 68.868 0.013 0.000 0.868 27 T HN 0.230 nan 8.240 nan 0.000 0.444 28 Q N 0.152 119.970 119.800 0.029 0.000 2.119 28 Q HA 0.013 4.344 4.340 -0.015 0.000 0.201 28 Q C 2.265 178.316 176.000 0.084 0.000 0.972 28 Q CA 0.877 56.708 55.803 0.048 0.000 0.847 28 Q CB -0.225 28.537 28.738 0.040 0.000 0.903 28 Q HN 0.485 nan 8.270 nan 0.000 0.433 29 L N 0.446 121.718 121.223 0.082 0.000 2.017 29 L HA -0.223 4.108 4.340 -0.015 0.000 0.208 29 L C 2.511 179.459 176.870 0.129 0.000 1.073 29 L CA 1.318 56.262 54.840 0.173 0.000 0.745 29 L CB -0.382 41.757 42.059 0.133 0.000 0.894 29 L HN 0.114 nan 8.230 nan 0.000 0.432 30 K N 0.736 121.162 120.400 0.043 0.000 2.097 30 K HA -0.217 4.094 4.320 -0.015 0.000 0.206 30 K C 2.067 178.644 176.600 -0.038 0.000 1.049 30 K CA 1.529 57.798 56.287 -0.030 0.000 0.933 30 K CB -0.160 32.337 32.500 -0.005 0.000 0.717 30 K HN 0.069 nan 8.250 nan 0.000 0.442 31 K N 0.116 120.523 120.400 0.011 0.000 2.057 31 K HA -0.104 4.206 4.320 -0.015 0.000 0.207 31 K C 2.110 178.728 176.600 0.030 0.000 1.049 31 K CA 1.281 57.579 56.287 0.019 0.000 0.931 31 K CB -0.194 32.327 32.500 0.034 0.000 0.714 31 K HN 0.211 nan 8.250 nan 0.000 0.440 32 L N 1.089 122.360 121.223 0.079 0.000 2.017 32 L HA -0.207 4.124 4.340 -0.015 0.000 0.208 32 L C 2.585 179.486 176.870 0.052 0.000 1.073 32 L CA 1.878 56.801 54.840 0.140 0.000 0.745 32 L CB -0.427 41.835 42.059 0.339 0.000 0.894 32 L HN 0.395 nan 8.230 nan 0.000 0.432 33 S N -1.189 114.375 115.700 -0.226 0.000 2.399 33 S HA -0.202 4.259 4.470 -0.015 0.000 0.231 33 S C 1.735 176.282 174.600 -0.088 0.000 1.022 33 S CA 1.278 59.170 58.200 -0.513 0.000 0.983 33 S CB -0.532 61.896 63.200 -1.286 0.000 0.803 33 S HN 0.477 nan 8.310 nan 0.000 0.480 34 N N 1.555 120.211 118.700 -0.072 0.000 2.109 34 N HA -0.096 4.635 4.740 -0.015 0.000 0.188 34 N C 1.016 176.542 175.510 0.028 0.000 1.034 34 N CA 1.726 54.768 53.050 -0.013 0.000 0.846 34 N CB -0.297 38.181 38.487 -0.014 0.000 1.010 34 N HN 0.407 nan 8.380 nan 0.000 0.425 35 D N 0.273 120.693 120.400 0.033 0.000 2.117 35 D HA -0.061 4.570 4.640 -0.015 0.000 0.198 35 D C 0.478 176.812 176.300 0.057 0.000 0.982 35 D CA 1.192 55.217 54.000 0.041 0.000 0.828 35 D CB -0.106 40.718 40.800 0.040 0.000 0.967 35 D HN 0.146 nan 8.370 nan 0.000 0.464 36 N N -0.508 118.240 118.700 0.080 0.000 2.722 36 N HA -0.010 4.721 4.740 -0.015 0.000 0.242 36 N C -0.218 175.370 175.510 0.130 0.000 1.398 36 N CA -0.367 52.734 53.050 0.085 0.000 0.755 36 N CB -0.140 38.377 38.487 0.050 0.000 1.268 36 N HN -0.165 nan 8.380 nan 0.000 0.522 37 F N 2.394 122.356 119.950 0.019 0.000 2.102 37 F HA -0.121 4.397 4.527 -0.015 0.000 0.298 37 F C 1.864 177.716 175.800 0.086 0.000 1.105 37 F CA 1.186 59.218 58.000 0.055 0.000 1.239 37 F CB -0.026 38.986 39.000 0.021 0.000 0.991 37 F HN 0.443 nan 8.300 nan 0.000 0.474 38 L N 0.741 121.969 121.223 0.008 0.000 2.034 38 L HA -0.311 4.020 4.340 -0.015 0.000 0.217 38 L C 2.448 179.203 176.870 -0.191 0.000 1.077 38 L CA 2.512 57.278 54.840 -0.125 0.000 0.769 38 L CB -1.281 40.741 42.059 -0.062 0.000 0.890 38 L HN 0.435 nan 8.230 nan 0.000 0.435 39 Q N -1.622 118.104 119.800 -0.123 0.000 2.046 39 Q HA -0.254 4.077 4.340 -0.015 0.000 0.200 39 Q C 2.316 178.168 176.000 -0.247 0.000 0.975 39 Q CA 2.061 57.771 55.803 -0.154 0.000 0.836 39 Q CB -0.385 28.300 28.738 -0.087 0.000 0.896 39 Q HN 0.607 nan 8.270 nan 0.000 0.428 40 F N 0.653 120.396 119.950 -0.344 0.000 2.126 40 F HA -0.205 4.313 4.527 -0.015 0.000 0.299 40 F C 1.960 177.465 175.800 -0.492 0.000 1.096 40 F CA 1.574 59.333 58.000 -0.402 0.000 1.255 40 F CB -0.334 38.559 39.000 -0.177 0.000 0.997 40 F HN 0.131 nan 8.300 nan 0.000 0.479 41 A N 0.383 122.918 122.820 -0.475 0.000 1.898 41 A HA -0.009 4.302 4.320 -0.015 0.000 0.216 41 A C 2.473 179.839 177.584 -0.364 0.000 1.181 41 A CA 1.583 53.338 52.037 -0.470 0.000 0.620 41 A CB -1.795 16.897 19.000 -0.512 0.000 0.819 41 A HN 0.519 nan 8.150 nan 0.000 0.442 42 G N -0.135 108.462 108.800 -0.338 0.000 2.433 42 G HA2 -0.175 3.776 3.960 -0.015 0.000 0.216 42 G HA3 -0.175 3.776 3.960 -0.015 0.000 0.216 42 G C 1.569 176.270 174.900 -0.332 0.000 1.186 42 G CA 1.019 45.957 45.100 -0.270 0.000 0.779 42 G HN 0.409 nan 8.290 nan 0.000 0.543 43 L N 0.746 121.665 121.223 -0.507 0.000 2.042 43 L HA -0.122 4.209 4.340 -0.015 0.000 0.210 43 L C 3.236 179.764 176.870 -0.570 0.000 1.076 43 L CA 1.327 55.782 54.840 -0.642 0.000 0.749 43 L CB -0.416 40.961 42.059 -1.137 0.000 0.893 43 L HN 0.205 nan 8.230 nan 0.000 0.432 44 S N -0.276 115.029 115.700 -0.659 0.000 2.368 44 S HA -0.195 4.266 4.470 -0.015 0.000 0.225 44 S C 2.166 176.674 174.600 -0.154 0.000 1.030 44 S CA 1.638 59.661 58.200 -0.294 0.000 0.999 44 S CB -0.292 62.662 63.200 -0.410 0.000 0.844 44 S HN 0.637 nan 8.310 nan 0.000 0.459 45 S N 1.360 116.955 115.700 -0.176 0.000 2.423 45 S HA -0.122 4.339 4.470 -0.015 0.000 0.231 45 S C 1.771 176.327 174.600 -0.073 0.000 1.014 45 S CA 0.941 59.084 58.200 -0.095 0.000 0.965 45 S CB -0.398 62.754 63.200 -0.081 0.000 0.785 45 S HN 0.532 nan 8.310 nan 0.000 0.495 46 Q N 0.301 120.041 119.800 -0.100 0.000 2.137 46 Q HA 0.077 4.408 4.340 -0.015 0.000 0.198 46 Q C 2.304 178.287 176.000 -0.028 0.000 0.960 46 Q CA 1.305 57.068 55.803 -0.066 0.000 0.847 46 Q CB -0.218 28.468 28.738 -0.088 0.000 0.915 46 Q HN 0.507 nan 8.270 nan 0.000 0.448 47 V N 1.030 120.940 119.914 -0.006 0.000 2.427 47 V HA -0.221 3.890 4.120 -0.015 0.000 0.248 47 V C 2.107 178.211 176.094 0.016 0.000 1.051 47 V CA 1.160 63.481 62.300 0.034 0.000 1.048 47 V CB -0.434 31.455 31.823 0.109 0.000 0.666 47 V HN 0.327 nan 8.190 nan 0.000 0.456 48 L N 1.106 122.332 121.223 0.005 0.000 2.079 48 L HA -0.122 4.208 4.340 -0.015 0.000 0.210 48 L C 1.993 178.866 176.870 0.005 0.000 1.081 48 L CA 2.241 57.084 54.840 0.005 0.000 0.752 48 L CB -0.474 41.586 42.059 0.001 0.000 0.896 48 L HN 0.547 nan 8.230 nan 0.000 0.433 49 I N -3.501 117.069 120.570 -0.000 0.000 3.883 49 I HA 0.238 4.399 4.170 -0.015 0.000 0.326 49 I C 0.023 176.140 176.117 0.000 0.000 1.283 49 I CA -0.348 60.953 61.300 0.001 0.000 1.161 49 I CB -0.416 37.583 38.000 -0.001 0.000 1.012 49 I HN 0.117 nan 8.210 nan 0.000 0.421 50 D N 2.038 122.439 120.400 0.001 0.000 2.295 50 D HA 0.068 4.699 4.640 -0.015 0.000 0.248 50 D C 1.102 177.404 176.300 0.003 0.000 1.154 50 D CA -0.094 53.907 54.000 0.001 0.000 0.857 50 D CB 1.072 41.874 40.800 0.004 0.000 1.117 50 D HN 0.090 nan 8.370 nan 0.000 0.468 51 E N 2.982 123.183 120.200 0.001 0.000 2.268 51 E HA -0.110 4.231 4.350 -0.015 0.000 0.195 51 E C 0.723 177.324 176.600 0.001 0.000 0.995 51 E CA 0.530 56.931 56.400 0.001 0.000 0.836 51 E CB 0.006 29.706 29.700 0.001 0.000 0.763 51 E HN 0.560 nan 8.360 nan 0.000 0.491 52 N N 0.677 119.378 118.700 0.001 0.000 2.467 52 N HA -0.026 4.705 4.740 -0.015 0.000 0.184 52 N C 0.271 175.781 175.510 0.001 0.000 1.106 52 N CA 0.361 53.412 53.050 0.001 0.000 0.892 52 N CB 0.251 38.739 38.487 0.002 0.000 0.969 52 N HN -0.014 nan 8.380 nan 0.000 0.454 53 T N 1.490 116.045 114.554 0.002 0.000 2.882 53 T HA 0.173 4.514 4.350 -0.015 0.000 0.287 53 T C 0.524 175.223 174.700 -0.002 0.000 0.992 53 T CA -0.495 61.606 62.100 0.001 0.000 1.076 53 T CB 1.674 70.544 68.868 0.004 0.000 0.961 53 T HN -0.067 nan 8.240 nan 0.000 0.490 54 K N 2.548 122.945 120.400 -0.005 0.000 2.485 54 K HA 0.068 4.379 4.320 -0.015 0.000 0.277 54 K C 1.450 178.047 176.600 -0.004 0.000 0.990 54 K CA -0.279 56.005 56.287 -0.005 0.000 0.994 54 K CB 0.420 32.915 32.500 -0.008 0.000 0.906 54 K HN 0.506 nan 8.250 nan 0.000 0.488 55 L N 2.671 123.893 121.223 -0.002 0.000 2.010 55 L HA -0.333 3.998 4.340 -0.015 0.000 0.219 55 L C 1.718 178.588 176.870 -0.001 0.000 1.077 55 L CA 1.916 56.756 54.840 0.000 0.000 0.773 55 L CB -0.141 41.919 42.059 0.002 0.000 0.892 55 L HN 0.703 nan 8.230 nan 0.000 0.436 56 E N -0.410 119.788 120.200 -0.004 0.000 2.118 56 E HA -0.173 4.168 4.350 -0.015 0.000 0.195 56 E C 1.958 178.551 176.600 -0.011 0.000 0.992 56 E CA 1.251 57.648 56.400 -0.005 0.000 0.804 56 E CB -0.512 29.183 29.700 -0.007 0.000 0.741 56 E HN 0.634 nan 8.360 nan 0.000 0.458 57 G N 0.381 109.171 108.800 -0.017 0.000 2.408 57 G HA2 -0.258 3.693 3.960 -0.015 0.000 0.217 57 G HA3 -0.258 3.693 3.960 -0.015 0.000 0.217 57 G C 1.464 176.354 174.900 -0.017 0.000 1.150 57 G CA 0.519 45.602 45.100 -0.028 0.000 0.776 57 G HN 0.124 nan 8.290 nan 0.000 0.542 58 R N -0.170 120.327 120.500 -0.005 0.000 2.090 58 R HA 0.135 4.466 4.340 -0.015 0.000 0.228 58 R C 2.503 178.807 176.300 0.007 0.000 1.110 58 R CA 0.819 56.922 56.100 0.004 0.000 0.973 58 R CB -0.354 29.950 30.300 0.006 0.000 0.869 58 R HN 0.351 nan 8.270 nan 0.000 0.440 59 I N 0.681 121.255 120.570 0.006 0.000 2.179 59 I HA -0.282 3.879 4.170 -0.015 0.000 0.242 59 I C 2.240 178.364 176.117 0.011 0.000 1.088 59 I CA 0.943 62.250 61.300 0.012 0.000 1.357 59 I CB -0.227 37.780 38.000 0.012 0.000 1.051 59 I HN 0.114 nan 8.210 nan 0.000 0.409 60 L N 0.987 122.211 121.223 0.003 0.000 2.131 60 L HA -0.151 4.180 4.340 -0.015 0.000 0.210 60 L C 2.488 179.363 176.870 0.008 0.000 1.092 60 L CA 1.938 56.779 54.840 0.002 0.000 0.759 60 L CB -0.734 41.314 42.059 -0.017 0.000 0.903 60 L HN 0.204 nan 8.230 nan 0.000 0.435 61 A N -0.739 122.083 122.820 0.004 0.000 1.902 61 A HA -0.077 4.234 4.320 -0.015 0.000 0.217 61 A C 2.443 180.035 177.584 0.014 0.000 1.181 61 A CA 1.664 53.712 52.037 0.018 0.000 0.623 61 A CB -1.011 18.009 19.000 0.033 0.000 0.818 61 A HN 0.522 nan 8.150 nan 0.000 0.443 62 A N -0.305 122.524 122.820 0.016 0.000 1.873 62 A HA 0.033 4.344 4.320 -0.015 0.000 0.215 62 A C 2.173 179.774 177.584 0.029 0.000 1.186 62 A CA 1.371 53.420 52.037 0.019 0.000 0.616 62 A CB -0.568 18.447 19.000 0.025 0.000 0.823 62 A HN 0.451 nan 8.150 nan 0.000 0.442 63 L N -0.615 120.626 121.223 0.031 0.000 2.056 63 L HA -0.148 4.182 4.340 -0.015 0.000 0.207 63 L C 2.761 179.666 176.870 0.059 0.000 1.078 63 L CA 1.801 56.662 54.840 0.035 0.000 0.749 63 L CB -0.927 41.148 42.059 0.027 0.000 0.901 63 L HN 0.365 nan 8.230 nan 0.000 0.433 64 T N 0.169 114.772 114.554 0.082 0.000 2.777 64 T HA -0.158 4.183 4.350 -0.015 0.000 0.266 64 T C 1.820 176.656 174.700 0.226 0.000 1.040 64 T CA 0.996 63.190 62.100 0.156 0.000 1.141 64 T CB -0.235 68.750 68.868 0.196 0.000 0.868 64 T HN 0.095 nan 8.240 nan 0.000 0.444 65 L N 1.887 123.209 121.223 0.166 0.000 2.017 65 L HA -0.004 4.327 4.340 -0.015 0.000 0.208 65 L C 2.364 179.303 176.870 0.115 0.000 1.073 65 L CA 1.846 56.800 54.840 0.191 0.000 0.745 65 L CB -0.681 41.407 42.059 0.048 0.000 0.894 65 L HN 0.060 nan 8.230 nan 0.000 0.432 66 K N -0.442 119.990 120.400 0.055 0.000 2.044 66 K HA -0.230 4.081 4.320 -0.015 0.000 0.210 66 K C 1.584 178.195 176.600 0.018 0.000 1.049 66 K CA 1.845 58.142 56.287 0.017 0.000 0.927 66 K CB -0.283 32.225 32.500 0.013 0.000 0.713 66 K HN 0.440 nan 8.250 nan 0.000 0.443 67 N N 1.197 119.922 118.700 0.041 0.000 2.609 67 N HA -0.077 4.654 4.740 -0.015 0.000 0.190 67 N C 0.488 175.960 175.510 -0.065 0.000 1.157 67 N CA 0.679 53.759 53.050 0.050 0.000 0.918 67 N CB 0.252 38.783 38.487 0.074 0.000 0.978 67 N HN 0.317 nan 8.380 nan 0.000 0.448 68 E N -0.329 119.742 120.200 -0.215 0.000 2.498 68 E HA 0.198 4.539 4.350 -0.015 0.000 0.203 68 E C 1.353 177.387 176.600 -0.944 0.000 1.013 68 E CA -0.027 55.911 56.400 -0.770 0.000 0.927 68 E CB 0.688 30.270 29.700 -0.197 0.000 1.012 68 E HN 0.353 nan 8.360 nan 0.000 0.482 69 L N -0.496 120.529 121.223 -0.330 0.000 2.575 69 L HA 0.263 4.594 4.340 -0.015 0.000 0.228 69 L C 0.509 177.475 176.870 0.160 0.000 1.075 69 L CA 0.196 54.979 54.840 -0.095 0.000 0.867 69 L CB 1.020 43.014 42.059 -0.109 0.000 1.097 69 L HN -0.182 nan 8.230 nan 0.000 0.485 70 V N -1.232 118.834 119.914 0.253 0.000 3.087 70 V HA 0.596 4.707 4.120 -0.015 0.000 0.306 70 V C -1.238 175.026 176.094 0.284 0.000 1.187 70 V CA -0.393 62.051 62.300 0.240 0.000 0.999 70 V CB 2.559 34.436 31.823 0.089 0.000 1.049 70 V HN 0.092 nan 8.190 nan 0.000 0.431 71 S N 2.309 118.102 115.700 0.156 0.000 2.547 71 S HA 0.445 4.906 4.470 -0.015 0.000 0.270 71 S C 0.305 174.915 174.600 0.018 0.000 1.150 71 S CA -0.565 57.689 58.200 0.090 0.000 0.850 71 S CB 2.086 65.272 63.200 -0.023 0.000 1.118 71 S HN 0.701 nan 8.310 nan 0.000 0.461 72 K N 0.964 121.368 120.400 0.007 0.000 2.097 72 K HA -0.050 4.261 4.320 -0.015 0.000 0.206 72 K C 0.492 177.075 176.600 -0.029 0.000 1.049 72 K CA 1.010 57.291 56.287 -0.010 0.000 0.933 72 K CB -0.116 32.379 32.500 -0.008 0.000 0.717 72 K HN 0.593 nan 8.250 nan 0.000 0.442 73 D N 0.636 121.004 120.400 -0.053 0.000 2.317 73 D HA -0.009 4.622 4.640 -0.015 0.000 0.252 73 D C 0.725 176.968 176.300 -0.095 0.000 1.174 73 D CA -0.007 53.948 54.000 -0.075 0.000 0.866 73 D CB 1.401 42.142 40.800 -0.097 0.000 1.127 73 D HN 0.086 nan 8.370 nan 0.000 0.467 74 S N 2.491 118.149 115.700 -0.069 0.000 2.489 74 S HA -0.083 4.378 4.470 -0.015 0.000 0.228 74 S C 1.847 176.398 174.600 -0.082 0.000 0.995 74 S CA 0.310 58.473 58.200 -0.062 0.000 0.934 74 S CB 0.060 63.239 63.200 -0.034 0.000 0.771 74 S HN 0.378 nan 8.310 nan 0.000 0.522 75 V N 2.194 122.050 119.914 -0.097 0.000 2.307 75 V HA -0.103 4.008 4.120 -0.015 0.000 0.245 75 V C 2.689 178.670 176.094 -0.188 0.000 1.045 75 V CA 1.890 64.123 62.300 -0.111 0.000 1.024 75 V CB -0.585 31.181 31.823 -0.095 0.000 0.651 75 V HN 0.491 nan 8.190 nan 0.000 0.449 76 K N -0.463 119.767 120.400 -0.284 0.000 2.209 76 K HA -0.150 4.161 4.320 -0.015 0.000 0.204 76 K C 2.201 178.418 176.600 -0.637 0.000 1.048 76 K CA 1.666 57.609 56.287 -0.573 0.000 0.940 76 K CB -0.355 31.705 32.500 -0.732 0.000 0.729 76 K HN 0.455 nan 8.250 nan 0.000 0.451 77 T N 1.501 115.867 114.554 -0.314 0.000 2.684 77 T HA -0.179 4.162 4.350 -0.015 0.000 0.267 77 T C 1.808 176.474 174.700 -0.057 0.000 1.036 77 T CA 1.375 63.396 62.100 -0.132 0.000 1.148 77 T CB -0.076 68.763 68.868 -0.048 0.000 0.863 77 T HN 0.323 nan 8.240 nan 0.000 0.436 78 Q N 0.429 120.188 119.800 -0.068 0.000 2.119 78 Q HA -0.077 4.254 4.340 -0.015 0.000 0.201 78 Q C 2.570 178.562 176.000 -0.013 0.000 0.972 78 Q CA 1.130 56.924 55.803 -0.015 0.000 0.847 78 Q CB -0.113 28.617 28.738 -0.015 0.000 0.903 78 Q HN 0.605 nan 8.270 nan 0.000 0.433 79 Q N -0.478 119.273 119.800 -0.081 0.000 2.119 79 Q HA -0.131 4.200 4.340 -0.015 0.000 0.201 79 Q C 1.721 177.775 176.000 0.091 0.000 0.972 79 Q CA 0.980 56.759 55.803 -0.041 0.000 0.847 79 Q CB -0.000 28.671 28.738 -0.111 0.000 0.903 79 Q HN 0.296 nan 8.270 nan 0.000 0.433 80 F N 0.670 120.587 119.950 -0.055 0.000 2.113 80 F HA -0.085 4.433 4.527 -0.015 0.000 0.297 80 F C 2.419 178.214 175.800 -0.009 0.000 1.103 80 F CA 0.734 58.691 58.000 -0.072 0.000 1.248 80 F CB -1.268 37.701 39.000 -0.050 0.000 0.999 80 F HN 0.055 nan 8.300 nan 0.000 0.475 81 A N -0.154 122.792 122.820 0.211 0.000 1.883 81 A HA -0.292 4.019 4.320 -0.015 0.000 0.217 81 A C 2.233 179.914 177.584 0.161 0.000 1.186 81 A CA 2.005 54.146 52.037 0.174 0.000 0.624 81 A CB -1.127 17.951 19.000 0.130 0.000 0.822 81 A HN 0.475 nan 8.150 nan 0.000 0.444 82 Q N -0.519 119.340 119.800 0.099 0.000 2.167 82 Q HA -0.178 4.152 4.340 -0.015 0.000 0.202 82 Q C 2.209 178.237 176.000 0.047 0.000 0.970 82 Q CA 1.652 57.489 55.803 0.056 0.000 0.855 82 Q CB -0.171 28.585 28.738 0.031 0.000 0.911 82 Q HN 0.684 nan 8.270 nan 0.000 0.438 83 R N -0.415 120.110 120.500 0.040 0.000 2.073 83 R HA -0.145 4.186 4.340 -0.015 0.000 0.229 83 R C 2.116 178.434 176.300 0.029 0.000 1.120 83 R CA 1.342 57.414 56.100 -0.046 0.000 0.967 83 R CB -0.613 29.556 30.300 -0.218 0.000 0.862 83 R HN 0.594 nan 8.270 nan 0.000 0.436 84 W N 1.383 122.649 121.300 -0.055 0.000 2.354 84 W HA -0.188 4.463 4.660 -0.015 0.000 0.315 84 W C 1.547 178.094 176.519 0.046 0.000 1.206 84 W CA 1.295 58.691 57.345 0.085 0.000 1.290 84 W CB -0.361 29.154 29.460 0.091 0.000 1.152 84 W HN 0.097 nan 8.180 nan 0.000 0.489 85 I N 1.347 121.985 120.570 0.113 0.000 2.264 85 I HA -0.345 3.816 4.170 -0.015 0.000 0.248 85 I C 2.567 178.608 176.117 -0.125 0.000 1.111 85 I CA 2.313 63.586 61.300 -0.045 0.000 1.382 85 I CB -0.593 37.399 38.000 -0.014 0.000 1.060 85 I HN 0.058 nan 8.210 nan 0.000 0.418 86 T N -3.422 111.088 114.554 -0.072 0.000 3.034 86 T HA 0.040 4.381 4.350 -0.015 0.000 0.248 86 T C 1.696 176.357 174.700 -0.066 0.000 1.040 86 T CA 0.112 62.174 62.100 -0.064 0.000 1.107 86 T CB 0.055 68.905 68.868 -0.031 0.000 0.932 86 T HN 0.284 nan 8.240 nan 0.000 0.474 87 Q N 0.491 120.263 119.800 -0.046 0.000 2.402 87 Q HA 0.291 4.622 4.340 -0.015 0.000 0.206 87 Q C -0.166 175.807 176.000 -0.045 0.000 0.919 87 Q CA 0.081 55.880 55.803 -0.008 0.000 0.923 87 Q CB 0.780 29.565 28.738 0.078 0.000 1.048 87 Q HN 0.347 nan 8.270 nan 0.000 0.515 88 V N 2.314 122.131 119.914 -0.160 0.000 2.394 88 V HA 0.133 4.244 4.120 -0.015 0.000 0.282 88 V C 0.274 176.180 176.094 -0.313 0.000 1.031 88 V CA -0.632 61.494 62.300 -0.290 0.000 0.881 88 V CB 1.396 32.876 31.823 -0.573 0.000 0.982 88 V HN 0.236 nan 8.190 nan 0.000 0.451 89 S N 5.813 121.375 115.700 -0.228 0.000 2.579 89 S HA 0.209 4.670 4.470 -0.015 0.000 0.275 89 S C -1.640 172.830 174.600 -0.216 0.000 1.345 89 S CA -0.790 57.300 58.200 -0.184 0.000 1.031 89 S CB 0.722 63.842 63.200 -0.133 0.000 0.892 89 S HN 0.551 nan 8.310 nan 0.000 0.529 90 P HA -0.135 nan 4.420 nan 0.000 0.216 90 P C 1.011 178.230 177.300 -0.136 0.000 1.153 90 P CA 1.467 64.479 63.100 -0.146 0.000 0.858 90 P CB -0.051 31.593 31.700 -0.094 0.000 0.789 91 E N -0.202 119.928 120.200 -0.116 0.000 2.077 91 E HA -0.119 4.222 4.350 -0.015 0.000 0.193 91 E C 2.179 178.707 176.600 -0.120 0.000 0.989 91 E CA 1.537 57.877 56.400 -0.100 0.000 0.800 91 E CB -1.209 28.442 29.700 -0.081 0.000 0.746 91 E HN 0.170 nan 8.360 nan 0.000 0.452 92 A N 1.293 124.021 122.820 -0.153 0.000 1.898 92 A HA -0.200 4.111 4.320 -0.015 0.000 0.216 92 A C 1.957 179.424 177.584 -0.195 0.000 1.181 92 A CA 1.497 53.431 52.037 -0.172 0.000 0.620 92 A CB -0.330 18.549 19.000 -0.201 0.000 0.819 92 A HN 0.059 nan 8.150 nan 0.000 0.442 93 K N -0.333 119.901 120.400 -0.277 0.000 2.063 93 K HA -0.177 4.134 4.320 -0.015 0.000 0.208 93 K C 2.066 178.585 176.600 -0.136 0.000 1.048 93 K CA 1.414 57.537 56.287 -0.273 0.000 0.928 93 K CB -0.282 32.010 32.500 -0.347 0.000 0.713 93 K HN 0.550 nan 8.250 nan 0.000 0.442 94 N N 0.720 119.335 118.700 -0.143 0.000 2.120 94 N HA -0.199 4.532 4.740 -0.015 0.000 0.188 94 N C 1.953 177.409 175.510 -0.091 0.000 1.024 94 N CA 1.267 54.244 53.050 -0.121 0.000 0.852 94 N CB 0.148 38.583 38.487 -0.087 0.000 1.003 94 N HN 0.119 nan 8.380 nan 0.000 0.424 95 Q N 1.188 120.939 119.800 -0.080 0.000 2.050 95 Q HA 0.019 4.350 4.340 -0.015 0.000 0.202 95 Q C 2.111 178.081 176.000 -0.051 0.000 0.980 95 Q CA 1.209 56.975 55.803 -0.062 0.000 0.840 95 Q CB -0.355 28.341 28.738 -0.070 0.000 0.898 95 Q HN 0.430 nan 8.270 nan 0.000 0.424 96 I N 0.127 120.670 120.570 -0.044 0.000 2.163 96 I HA -0.351 3.810 4.170 -0.015 0.000 0.243 96 I C 2.131 178.237 176.117 -0.017 0.000 1.085 96 I CA 1.524 62.822 61.300 -0.004 0.000 1.347 96 I CB -0.239 37.828 38.000 0.112 0.000 1.044 96 I HN 0.155 nan 8.210 nan 0.000 0.408 97 K N 0.022 120.372 120.400 -0.084 0.000 2.026 97 K HA -0.144 4.167 4.320 -0.015 0.000 0.208 97 K C 2.115 178.706 176.600 -0.014 0.000 1.048 97 K CA 1.974 58.143 56.287 -0.197 0.000 0.929 97 K CB -0.409 31.727 32.500 -0.607 0.000 0.713 97 K HN 0.287 nan 8.250 nan 0.000 0.439 98 T N 1.490 116.036 114.554 -0.014 0.000 2.684 98 T HA -0.123 4.218 4.350 -0.015 0.000 0.267 98 T C 1.519 176.243 174.700 0.040 0.000 1.036 98 T CA 1.576 63.698 62.100 0.037 0.000 1.148 98 T CB -0.311 68.565 68.868 0.013 0.000 0.863 98 T HN 0.202 nan 8.240 nan 0.000 0.436 99 N N 1.357 120.066 118.700 0.014 0.000 2.223 99 N HA 0.033 4.764 4.740 -0.015 0.000 0.185 99 N C 2.027 177.556 175.510 0.032 0.000 1.016 99 N CA 1.167 54.225 53.050 0.012 0.000 0.863 99 N CB -0.589 37.891 38.487 -0.011 0.000 0.983 99 N HN 0.445 nan 8.380 nan 0.000 0.429 100 A N 0.945 123.794 122.820 0.049 0.000 1.898 100 A HA -0.020 4.291 4.320 -0.015 0.000 0.216 100 A C 2.292 179.936 177.584 0.101 0.000 1.181 100 A CA 0.864 52.947 52.037 0.076 0.000 0.620 100 A CB -0.717 18.347 19.000 0.105 0.000 0.819 100 A HN 0.215 nan 8.150 nan 0.000 0.442 101 L N -0.664 120.641 121.223 0.136 0.000 2.141 101 L HA -0.134 4.196 4.340 -0.015 0.000 0.209 101 L C 2.691 179.604 176.870 0.070 0.000 1.094 101 L CA 1.541 56.456 54.840 0.124 0.000 0.763 101 L CB -0.645 41.515 42.059 0.168 0.000 0.908 101 L HN 0.352 nan 8.230 nan 0.000 0.437 102 T N -0.226 114.362 114.554 0.057 0.000 2.737 102 T HA -0.124 4.217 4.350 -0.015 0.000 0.265 102 T C 2.029 176.746 174.700 0.028 0.000 1.038 102 T CA 1.255 63.376 62.100 0.035 0.000 1.144 102 T CB -0.164 68.719 68.868 0.026 0.000 0.866 102 T HN 0.435 nan 8.240 nan 0.000 0.434 103 A N 1.322 124.160 122.820 0.031 0.000 1.933 103 A HA -0.018 4.293 4.320 -0.015 0.000 0.218 103 A C 2.208 179.807 177.584 0.025 0.000 1.175 103 A CA 1.133 53.185 52.037 0.025 0.000 0.628 103 A CB -0.849 18.166 19.000 0.026 0.000 0.814 103 A HN 0.393 nan 8.150 nan 0.000 0.444 104 L N 0.372 121.614 121.223 0.032 0.000 2.081 104 L HA -0.154 4.177 4.340 -0.015 0.000 0.212 104 L C 2.150 179.025 176.870 0.008 0.000 1.080 104 L CA 2.434 57.287 54.840 0.022 0.000 0.754 104 L CB -0.268 41.806 42.059 0.025 0.000 0.893 104 L HN 0.434 nan 8.230 nan 0.000 0.433 105 V N -3.475 116.445 119.914 0.011 0.000 3.514 105 V HA 0.230 4.341 4.120 -0.015 0.000 0.301 105 V C 1.138 177.235 176.094 0.004 0.000 1.346 105 V CA 0.141 62.444 62.300 0.004 0.000 1.156 105 V CB -0.959 30.867 31.823 0.006 0.000 1.029 105 V HN 0.367 nan 8.190 nan 0.000 0.428 106 S N 1.354 117.059 115.700 0.007 0.000 2.559 106 S HA 0.144 4.605 4.470 -0.015 0.000 0.282 106 S C 1.228 175.830 174.600 0.003 0.000 1.336 106 S CA 0.341 58.545 58.200 0.006 0.000 1.037 106 S CB 0.454 63.660 63.200 0.008 0.000 0.853 106 S HN 0.758 nan 8.310 nan 0.000 0.523 107 I N 0.160 120.731 120.570 0.002 0.000 3.291 107 I HA 0.290 4.451 4.170 -0.015 0.000 0.279 107 I C 0.559 176.677 176.117 0.001 0.000 1.294 107 I CA 0.409 61.710 61.300 0.000 0.000 1.428 107 I CB -0.138 37.862 38.000 0.000 0.000 1.070 107 I HN 0.513 nan 8.210 nan 0.000 0.478 108 E N 2.623 122.825 120.200 0.003 0.000 2.089 108 E HA 0.259 4.600 4.350 -0.015 0.000 0.284 108 E C -1.695 174.908 176.600 0.006 0.000 1.023 108 E CA -2.281 54.122 56.400 0.004 0.000 0.819 108 E CB 1.108 30.811 29.700 0.006 0.000 1.076 108 E HN 0.094 nan 8.360 nan 0.000 0.396 109 P HA -0.170 nan 4.420 nan 0.000 0.216 109 P C 0.665 177.972 177.300 0.012 0.000 1.150 109 P CA 1.215 64.318 63.100 0.005 0.000 0.837 109 P CB 0.250 31.952 31.700 0.003 0.000 0.786 110 R N -1.039 119.470 120.500 0.015 0.000 2.189 110 R HA 0.058 4.389 4.340 -0.015 0.000 0.218 110 R C 2.315 178.630 176.300 0.024 0.000 1.074 110 R CA 0.759 56.872 56.100 0.021 0.000 0.991 110 R CB -0.683 29.627 30.300 0.018 0.000 0.883 110 R HN 0.283 nan 8.270 nan 0.000 0.457 111 I N 0.540 121.121 120.570 0.019 0.000 2.233 111 I HA -0.197 3.964 4.170 -0.015 0.000 0.243 111 I C 2.576 178.708 176.117 0.025 0.000 1.093 111 I CA 1.063 62.375 61.300 0.020 0.000 1.380 111 I CB -0.309 37.700 38.000 0.015 0.000 1.067 111 I HN 0.097 nan 8.210 nan 0.000 0.413 112 A N 0.904 123.736 122.820 0.020 0.000 1.908 112 A HA -0.276 4.035 4.320 -0.015 0.000 0.218 112 A C 2.014 179.616 177.584 0.029 0.000 1.181 112 A CA 2.410 54.457 52.037 0.017 0.000 0.627 112 A CB -1.183 17.818 19.000 0.002 0.000 0.818 112 A HN 0.535 nan 8.150 nan 0.000 0.445 113 N N -0.071 118.652 118.700 0.039 0.000 2.120 113 N HA -0.061 4.670 4.740 -0.015 0.000 0.188 113 N C 1.902 177.488 175.510 0.126 0.000 1.024 113 N CA 1.033 54.131 53.050 0.079 0.000 0.852 113 N CB -0.237 38.300 38.487 0.084 0.000 1.003 113 N HN 0.514 nan 8.380 nan 0.000 0.424 114 A N 1.014 123.884 122.820 0.083 0.000 1.968 114 A HA 0.151 4.462 4.320 -0.015 0.000 0.217 114 A C 2.297 179.925 177.584 0.073 0.000 1.169 114 A CA 1.248 53.329 52.037 0.073 0.000 0.638 114 A CB -0.580 18.447 19.000 0.045 0.000 0.812 114 A HN 0.322 nan 8.150 nan 0.000 0.446 115 A N 0.186 123.045 122.820 0.064 0.000 1.902 115 A HA 0.135 4.446 4.320 -0.015 0.000 0.217 115 A C 2.491 180.128 177.584 0.088 0.000 1.181 115 A CA 2.043 54.119 52.037 0.064 0.000 0.623 115 A CB -1.011 18.020 19.000 0.051 0.000 0.818 115 A HN 1.022 nan 8.150 nan 0.000 0.443 116 A N -0.580 122.300 122.820 0.101 0.000 1.908 116 A HA -0.253 4.058 4.320 -0.015 0.000 0.218 116 A C 2.126 179.857 177.584 0.245 0.000 1.181 116 A CA 1.758 53.873 52.037 0.131 0.000 0.627 116 A CB -0.645 18.386 19.000 0.052 0.000 0.818 116 A HN 0.673 nan 8.150 nan 0.000 0.445 117 Q N -1.206 118.745 119.800 0.251 0.000 2.096 117 Q HA -0.180 4.151 4.340 -0.015 0.000 0.204 117 Q C 2.111 178.152 176.000 0.068 0.000 0.982 117 Q CA 1.463 57.337 55.803 0.119 0.000 0.850 117 Q CB -0.377 28.365 28.738 0.007 0.000 0.901 117 Q HN 0.585 nan 8.270 nan 0.000 0.422 118 L N 0.813 122.075 121.223 0.065 0.000 2.017 118 L HA -0.152 4.179 4.340 -0.015 0.000 0.208 118 L C 1.996 178.902 176.870 0.059 0.000 1.073 118 L CA 1.571 56.432 54.840 0.036 0.000 0.745 118 L CB -0.401 41.677 42.059 0.032 0.000 0.894 118 L HN 0.179 nan 8.230 nan 0.000 0.432 119 I N -0.361 120.278 120.570 0.115 0.000 2.226 119 I HA -0.311 3.850 4.170 -0.015 0.000 0.245 119 I C 2.586 178.779 176.117 0.128 0.000 1.100 119 I CA 1.252 62.662 61.300 0.184 0.000 1.374 119 I CB -0.627 37.461 38.000 0.146 0.000 1.057 119 I HN 0.370 nan 8.210 nan 0.000 0.413 120 A N 0.653 123.528 122.820 0.091 0.000 1.902 120 A HA -0.190 4.121 4.320 -0.015 0.000 0.217 120 A C 2.536 180.143 177.584 0.038 0.000 1.181 120 A CA 1.934 54.008 52.037 0.062 0.000 0.623 120 A CB -0.863 18.195 19.000 0.096 0.000 0.818 120 A HN 0.440 nan 8.150 nan 0.000 0.443 121 A N 0.124 122.954 122.820 0.016 0.000 1.858 121 A HA -0.101 4.210 4.320 -0.015 0.000 0.216 121 A C 2.123 179.662 177.584 -0.075 0.000 1.190 121 A CA 1.556 53.578 52.037 -0.025 0.000 0.617 121 A CB -0.689 18.285 19.000 -0.043 0.000 0.827 121 A HN 0.499 nan 8.150 nan 0.000 0.443 122 I N -0.088 120.415 120.570 -0.111 0.000 2.163 122 I HA -0.332 3.829 4.170 -0.015 0.000 0.243 122 I C 2.964 179.111 176.117 0.051 0.000 1.085 122 I CA 1.242 62.418 61.300 -0.207 0.000 1.347 122 I CB -0.423 37.469 38.000 -0.180 0.000 1.044 122 I HN 0.370 nan 8.210 nan 0.000 0.408 123 A N 0.435 123.365 122.820 0.183 0.000 1.933 123 A HA -0.238 4.073 4.320 -0.015 0.000 0.218 123 A C 1.925 179.574 177.584 0.108 0.000 1.175 123 A CA 2.015 54.156 52.037 0.174 0.000 0.628 123 A CB -0.589 18.437 19.000 0.043 0.000 0.814 123 A HN 0.361 nan 8.150 nan 0.000 0.444 124 D N -0.009 120.429 120.400 0.063 0.000 2.182 124 D HA -0.132 4.499 4.640 -0.015 0.000 0.201 124 D C 1.771 178.128 176.300 0.095 0.000 0.986 124 D CA 1.235 55.274 54.000 0.066 0.000 0.847 124 D CB -0.248 40.579 40.800 0.045 0.000 0.942 124 D HN 0.576 nan 8.370 nan 0.000 0.467 125 I N 0.480 121.094 120.570 0.074 0.000 2.400 125 I HA -0.115 4.046 4.170 -0.015 0.000 0.248 125 I C 2.195 178.434 176.117 0.204 0.000 1.109 125 I CA 0.822 62.187 61.300 0.109 0.000 1.425 125 I CB 0.016 38.019 38.000 0.005 0.000 1.094 125 I HN -0.099 nan 8.210 nan 0.000 0.425 126 E N 0.538 120.864 120.200 0.210 0.000 2.140 126 E HA -0.000 4.341 4.350 -0.015 0.000 0.191 126 E C 2.357 179.132 176.600 0.292 0.000 0.973 126 E CA 0.540 57.112 56.400 0.287 0.000 0.829 126 E CB 0.183 30.089 29.700 0.344 0.000 0.781 126 E HN 0.402 nan 8.360 nan 0.000 0.466 127 L N 1.108 122.471 121.223 0.234 0.000 2.083 127 L HA -0.120 4.211 4.340 -0.015 0.000 0.209 127 L C -0.574 176.389 176.870 0.156 0.000 1.083 127 L CA 1.176 56.124 54.840 0.179 0.000 0.752 127 L CB -1.527 40.604 42.059 0.120 0.000 0.899 127 L HN 0.094 nan 8.230 nan 0.000 0.433 128 P HA -0.151 nan 4.420 nan 0.000 0.219 128 P C 0.882 178.159 177.300 -0.038 0.000 1.146 128 P CA 1.505 64.635 63.100 0.051 0.000 0.808 128 P CB -0.039 31.683 31.700 0.036 0.000 0.779 129 H N -2.261 116.871 119.070 0.102 0.000 2.539 129 H HA 0.321 4.868 4.556 -0.015 0.000 0.269 129 H C 1.505 176.892 175.328 0.098 0.000 0.980 129 H CA 0.713 56.819 56.048 0.097 0.000 1.152 129 H CB -0.493 29.334 29.762 0.109 0.000 1.407 129 H HN 0.054 nan 8.280 nan 0.000 0.564 130 G N 0.258 109.168 108.800 0.182 0.000 2.166 130 G HA2 -0.324 3.627 3.960 -0.015 0.000 0.260 130 G HA3 -0.324 3.627 3.960 -0.015 0.000 0.260 130 G C 0.641 175.651 174.900 0.182 0.000 0.986 130 G CA 0.342 45.534 45.100 0.152 0.000 0.683 130 G HN 0.695 nan 8.290 nan 0.000 0.527 131 A N -1.406 121.552 122.820 0.230 0.000 2.280 131 A HA 0.509 4.820 4.320 -0.015 0.000 0.268 131 A C 1.065 178.850 177.584 0.336 0.000 1.111 131 A CA 0.652 52.832 52.037 0.239 0.000 0.814 131 A CB -0.002 19.136 19.000 0.230 0.000 1.093 131 A HN 1.575 nan 8.150 nan 0.000 0.498 132 W N -0.269 121.097 121.300 0.109 0.000 7.223 132 W HA -0.113 4.538 4.660 -0.015 0.000 0.419 132 W C -1.825 174.735 176.519 0.069 0.000 1.661 132 W CA 0.507 57.906 57.345 0.089 0.000 1.173 132 W CB -1.256 28.259 29.460 0.091 0.000 2.887 132 W HN 0.585 nan 8.180 nan 0.000 1.606 133 P HA -0.073 nan 4.420 nan 0.000 0.241 133 P C 1.008 178.359 177.300 0.086 0.000 1.191 133 P CA 1.354 64.537 63.100 0.139 0.000 0.771 133 P CB 0.365 32.137 31.700 0.120 0.000 0.929 134 E N -0.402 119.885 120.200 0.145 0.000 2.299 134 E HA -0.042 4.299 4.350 -0.015 0.000 0.193 134 E C 1.781 178.333 176.600 -0.080 0.000 0.998 134 E CA 0.206 56.656 56.400 0.082 0.000 0.851 134 E CB -0.844 28.971 29.700 0.191 0.000 0.795 134 E HN 0.113 nan 8.360 nan 0.000 0.492 135 L N 0.138 121.154 121.223 -0.345 0.000 2.017 135 L HA -0.142 4.189 4.340 -0.015 0.000 0.208 135 L C 1.874 178.529 176.870 -0.358 0.000 1.073 135 L CA 1.707 56.150 54.840 -0.661 0.000 0.745 135 L CB -0.289 40.929 42.059 -1.403 0.000 0.894 135 L HN 0.144 nan 8.230 nan 0.000 0.432 136 M N -0.378 119.076 119.600 -0.245 0.000 2.108 136 M HA -0.234 4.237 4.480 -0.015 0.000 0.261 136 M C 2.306 178.544 176.300 -0.104 0.000 1.066 136 M CA 1.572 56.781 55.300 -0.151 0.000 1.107 136 M CB -1.112 31.439 32.600 -0.083 0.000 1.356 136 M HN 0.341 nan 8.290 nan 0.000 0.406 137 K N 0.269 120.622 120.400 -0.078 0.000 2.057 137 K HA -0.132 4.179 4.320 -0.015 0.000 0.207 137 K C 1.906 178.474 176.600 -0.053 0.000 1.049 137 K CA 1.245 57.503 56.287 -0.047 0.000 0.931 137 K CB -0.134 32.352 32.500 -0.023 0.000 0.714 137 K HN 0.254 nan 8.250 nan 0.000 0.440 138 I N 0.887 121.415 120.570 -0.069 0.000 2.226 138 I HA -0.311 3.850 4.170 -0.015 0.000 0.245 138 I C 2.432 178.506 176.117 -0.071 0.000 1.100 138 I CA 0.938 62.204 61.300 -0.057 0.000 1.374 138 I CB -0.146 37.823 38.000 -0.052 0.000 1.057 138 I HN 0.220 nan 8.210 nan 0.000 0.413 139 M N -0.228 119.306 119.600 -0.109 0.000 2.099 139 M HA -0.123 4.347 4.480 -0.015 0.000 0.262 139 M C 2.522 178.776 176.300 -0.076 0.000 1.067 139 M CA 1.525 56.761 55.300 -0.106 0.000 1.124 139 M CB -0.998 31.516 32.600 -0.144 0.000 1.353 139 M HN 0.099 nan 8.290 nan 0.000 0.410 140 V N 0.830 120.704 119.914 -0.066 0.000 2.343 140 V HA -0.264 3.847 4.120 -0.015 0.000 0.247 140 V C 1.964 178.037 176.094 -0.036 0.000 1.051 140 V CA 1.846 64.119 62.300 -0.045 0.000 1.036 140 V CB -0.780 31.022 31.823 -0.035 0.000 0.654 140 V HN 0.336 nan 8.190 nan 0.000 0.451 141 D N 0.266 120.645 120.400 -0.034 0.000 2.117 141 D HA -0.136 4.495 4.640 -0.015 0.000 0.197 141 D C 2.001 178.285 176.300 -0.026 0.000 0.987 141 D CA 1.118 55.103 54.000 -0.025 0.000 0.829 141 D CB -0.481 40.308 40.800 -0.019 0.000 0.961 141 D HN 0.355 nan 8.370 nan 0.000 0.460 142 N N -0.152 118.528 118.700 -0.032 0.000 2.364 142 N HA -0.099 4.632 4.740 -0.015 0.000 0.183 142 N C 1.597 177.087 175.510 -0.034 0.000 1.022 142 N CA 1.280 54.311 53.050 -0.032 0.000 0.883 142 N CB -0.338 38.126 38.487 -0.039 0.000 0.965 142 N HN 0.355 nan 8.380 nan 0.000 0.438 143 T N -3.279 111.253 114.554 -0.036 0.000 3.107 143 T HA 0.220 4.561 4.350 -0.015 0.000 0.249 143 T C 1.080 175.765 174.700 -0.025 0.000 1.096 143 T CA -0.272 61.807 62.100 -0.035 0.000 1.012 143 T CB -0.304 68.540 68.868 -0.040 0.000 0.977 143 T HN 0.080 nan 8.240 nan 0.000 0.527 144 G N 0.586 109.374 108.800 -0.021 0.000 2.391 144 G HA2 0.377 4.328 3.960 -0.015 0.000 0.234 144 G HA3 0.377 4.328 3.960 -0.015 0.000 0.234 144 G C 1.196 176.087 174.900 -0.015 0.000 1.284 144 G CA -0.180 44.910 45.100 -0.016 0.000 0.873 144 G HN 0.446 nan 8.290 nan 0.000 0.549 145 A N 1.326 124.139 122.820 -0.012 0.000 1.978 145 A HA -0.089 4.222 4.320 -0.015 0.000 0.220 145 A C 2.192 179.769 177.584 -0.012 0.000 1.170 145 A CA 1.937 53.967 52.037 -0.011 0.000 0.636 145 A CB -0.174 18.821 19.000 -0.009 0.000 0.810 145 A HN 0.775 nan 8.150 nan 0.000 0.448 146 E N 0.322 120.516 120.200 -0.011 0.000 2.427 146 E HA -0.079 4.262 4.350 -0.015 0.000 0.196 146 E C 0.122 176.716 176.600 -0.010 0.000 1.028 146 E CA 0.138 56.532 56.400 -0.010 0.000 0.864 146 E CB -0.371 29.324 29.700 -0.008 0.000 0.813 146 E HN 0.545 nan 8.360 nan 0.000 0.514 147 Q N 2.050 121.842 119.800 -0.012 0.000 2.474 147 Q HA 0.214 4.545 4.340 -0.015 0.000 0.256 147 Q C -2.040 173.953 176.000 -0.013 0.000 1.048 147 Q CA -1.670 54.126 55.803 -0.012 0.000 0.922 147 Q CB -0.184 28.545 28.738 -0.015 0.000 1.288 147 Q HN 0.138 nan 8.270 nan 0.000 0.484 148 P HA -0.048 nan 4.420 nan 0.000 0.269 148 P C 0.583 177.874 177.300 -0.014 0.000 1.209 148 P CA 0.118 63.211 63.100 -0.011 0.000 0.776 148 P CB 0.548 32.243 31.700 -0.009 0.000 0.876 149 E N 2.880 123.072 120.200 -0.014 0.000 2.048 149 E HA -0.349 3.992 4.350 -0.015 0.000 0.202 149 E C 1.544 178.132 176.600 -0.020 0.000 1.021 149 E CA 1.922 58.312 56.400 -0.017 0.000 0.825 149 E CB -0.306 29.385 29.700 -0.015 0.000 0.756 149 E HN 0.499 nan 8.360 nan 0.000 0.454 150 N N 0.479 119.169 118.700 -0.017 0.000 2.205 150 N HA -0.154 4.577 4.740 -0.015 0.000 0.186 150 N C 1.906 177.402 175.510 -0.023 0.000 1.015 150 N CA 1.673 54.712 53.050 -0.018 0.000 0.862 150 N CB -0.558 37.922 38.487 -0.012 0.000 0.986 150 N HN 0.162 nan 8.380 nan 0.000 0.429 151 V N 1.253 121.154 119.914 -0.021 0.000 2.379 151 V HA -0.129 3.982 4.120 -0.015 0.000 0.245 151 V C 2.552 178.626 176.094 -0.034 0.000 1.044 151 V CA 1.526 63.812 62.300 -0.023 0.000 1.036 151 V CB -0.490 31.322 31.823 -0.017 0.000 0.664 151 V HN 0.295 nan 8.190 nan 0.000 0.453 152 K N -0.122 120.258 120.400 -0.033 0.000 2.057 152 K HA -0.180 4.131 4.320 -0.015 0.000 0.207 152 K C 2.406 178.975 176.600 -0.052 0.000 1.049 152 K CA 1.391 57.654 56.287 -0.040 0.000 0.931 152 K CB -0.217 32.263 32.500 -0.033 0.000 0.714 152 K HN 0.299 nan 8.250 nan 0.000 0.440 153 R N 0.875 121.345 120.500 -0.050 0.000 2.062 153 R HA -0.079 4.252 4.340 -0.015 0.000 0.231 153 R C 2.266 178.517 176.300 -0.083 0.000 1.136 153 R CA 1.369 57.432 56.100 -0.061 0.000 0.948 153 R CB -0.228 30.044 30.300 -0.047 0.000 0.845 153 R HN 0.164 nan 8.270 nan 0.000 0.430 154 A N 0.150 122.928 122.820 -0.071 0.000 1.933 154 A HA -0.107 4.204 4.320 -0.015 0.000 0.218 154 A C 2.158 179.678 177.584 -0.107 0.000 1.175 154 A CA 1.850 53.837 52.037 -0.083 0.000 0.628 154 A CB -0.347 18.623 19.000 -0.048 0.000 0.814 154 A HN 0.437 nan 8.150 nan 0.000 0.444 155 S N -0.198 115.448 115.700 -0.089 0.000 2.387 155 S HA -0.008 4.453 4.470 -0.015 0.000 0.226 155 S C 1.782 176.307 174.600 -0.125 0.000 1.026 155 S CA 1.161 59.302 58.200 -0.099 0.000 0.972 155 S CB -0.396 62.758 63.200 -0.076 0.000 0.814 155 S HN 0.493 nan 8.310 nan 0.000 0.477 156 L N 0.911 122.063 121.223 -0.118 0.000 2.017 156 L HA -0.118 4.213 4.340 -0.015 0.000 0.208 156 L C 2.385 179.139 176.870 -0.194 0.000 1.073 156 L CA 0.870 55.632 54.840 -0.129 0.000 0.745 156 L CB -0.558 41.440 42.059 -0.102 0.000 0.894 156 L HN 0.263 nan 8.230 nan 0.000 0.432 157 L N 0.039 121.114 121.223 -0.245 0.000 2.012 157 L HA -0.198 4.133 4.340 -0.015 0.000 0.210 157 L C 2.638 179.143 176.870 -0.608 0.000 1.073 157 L CA 2.069 56.641 54.840 -0.448 0.000 0.748 157 L CB -0.669 41.129 42.059 -0.435 0.000 0.891 157 L HN 0.174 nan 8.230 nan 0.000 0.431 158 A N -0.689 121.909 122.820 -0.370 0.000 1.902 158 A HA -0.195 4.116 4.320 -0.015 0.000 0.217 158 A C 2.322 179.802 177.584 -0.172 0.000 1.181 158 A CA 2.001 53.901 52.037 -0.229 0.000 0.623 158 A CB -0.963 17.961 19.000 -0.127 0.000 0.818 158 A HN 0.501 nan 8.150 nan 0.000 0.443 159 L N -0.765 120.348 121.223 -0.182 0.000 2.042 159 L HA -0.173 4.158 4.340 -0.015 0.000 0.210 159 L C 2.803 179.573 176.870 -0.166 0.000 1.076 159 L CA 1.187 55.922 54.840 -0.174 0.000 0.749 159 L CB -0.682 41.285 42.059 -0.154 0.000 0.893 159 L HN 0.524 nan 8.230 nan 0.000 0.432 160 G N -1.299 107.407 108.800 -0.156 0.000 2.421 160 G HA2 -0.279 3.672 3.960 -0.015 0.000 0.216 160 G HA3 -0.279 3.672 3.960 -0.015 0.000 0.216 160 G C 1.426 176.347 174.900 0.035 0.000 1.171 160 G CA 0.630 45.679 45.100 -0.086 0.000 0.775 160 G HN 0.365 nan 8.290 nan 0.000 0.543 161 Y N -0.323 119.933 120.300 -0.074 0.000 2.165 161 Y HA -0.141 4.400 4.550 -0.015 0.000 0.286 161 Y C 3.011 178.862 175.900 -0.082 0.000 1.155 161 Y CA 1.002 59.066 58.100 -0.060 0.000 1.164 161 Y CB -0.178 38.256 38.460 -0.044 0.000 0.978 161 Y HN 0.166 nan 8.280 nan 0.000 0.513 162 M N -0.895 118.729 119.600 0.040 0.000 2.132 162 M HA -0.255 4.216 4.480 -0.015 0.000 0.263 162 M C 2.128 178.332 176.300 -0.162 0.000 1.065 162 M CA 1.461 56.719 55.300 -0.070 0.000 1.122 162 M CB -0.264 32.247 32.600 -0.148 0.000 1.365 162 M HN 0.378 nan 8.290 nan 0.000 0.411 163 C N 0.549 119.704 119.300 -0.241 0.000 2.466 163 C HA -0.094 4.357 4.460 -0.015 0.000 0.278 163 C C 2.332 177.275 174.990 -0.079 0.000 1.288 163 C CA 1.276 60.071 59.018 -0.373 0.000 1.722 163 C CB -1.197 26.281 27.740 -0.436 0.000 2.017 163 C HN 0.671 nan 8.230 nan 0.000 0.488 164 E N 0.309 120.508 120.200 -0.002 0.000 2.516 164 E HA -0.068 4.273 4.350 -0.015 0.000 0.199 164 E C 1.618 178.243 176.600 0.041 0.000 1.069 164 E CA 1.240 57.669 56.400 0.048 0.000 0.876 164 E CB -0.291 29.443 29.700 0.058 0.000 0.843 164 E HN 0.410 nan 8.360 nan 0.000 0.530 165 S N -0.850 114.865 115.700 0.025 0.000 2.506 165 S HA 0.445 4.906 4.470 -0.015 0.000 0.219 165 S C 0.669 175.295 174.600 0.044 0.000 1.031 165 S CA 0.023 58.237 58.200 0.025 0.000 0.911 165 S CB 0.092 63.299 63.200 0.012 0.000 0.812 165 S HN 0.503 nan 8.310 nan 0.000 0.497 166 A N 3.030 125.886 122.820 0.059 0.000 2.425 166 A HA 0.333 4.644 4.320 -0.015 0.000 0.249 166 A C 0.144 177.800 177.584 0.121 0.000 1.084 166 A CA -0.489 51.611 52.037 0.105 0.000 0.781 166 A CB 0.027 19.128 19.000 0.169 0.000 1.019 166 A HN 0.564 nan 8.150 nan 0.000 0.490 167 D N 2.231 122.691 120.400 0.101 0.000 2.423 167 D HA 0.050 4.681 4.640 -0.015 0.000 0.238 167 D C -2.329 174.020 176.300 0.082 0.000 1.142 167 D CA -1.227 52.819 54.000 0.076 0.000 0.884 167 D CB 0.002 40.837 40.800 0.059 0.000 1.199 167 D HN 0.156 nan 8.370 nan 0.000 0.438 168 P HA -0.204 nan 4.420 nan 0.000 0.050 168 P C 0.454 177.781 177.300 0.044 0.000 0.666 168 P CA 0.785 63.916 63.100 0.051 0.000 0.994 168 P CB -0.652 31.066 31.700 0.030 0.000 1.734 169 Q N 0.936 120.776 119.800 0.068 0.000 0.818 169 Q HA -0.305 4.026 4.340 -0.015 0.000 0.329 169 Q C -0.036 175.974 176.000 0.017 0.000 1.101 169 Q CA 2.097 57.919 55.803 0.032 0.000 0.235 169 Q CB -0.551 28.140 28.738 -0.079 0.000 5.481 169 Q HN 0.593 nan 8.270 nan 0.000 0.346 170 S N -1.002 114.695 115.700 -0.005 0.000 4.103 170 S HA -0.044 4.417 4.470 -0.015 0.000 0.440 170 S C -0.906 173.701 174.600 0.011 0.000 0.807 170 S CA 0.668 58.864 58.200 -0.006 0.000 1.028 170 S CB -1.340 61.859 63.200 -0.002 0.000 0.663 170 S HN 0.608 nan 8.310 nan 0.000 0.646 175 S N 1.106 116.832 115.700 0.044 0.000 2.690 175 S HA 0.554 5.015 4.470 -0.015 0.000 0.291 175 S C 1.369 175.982 174.600 0.022 0.000 1.138 175 S CA 0.026 58.241 58.200 0.025 0.000 1.013 175 S CB 1.998 65.216 63.200 0.030 0.000 1.053 175 S HN 0.869 nan 8.310 nan 0.000 0.539 176 S N 1.764 117.470 115.700 0.009 0.000 2.335 176 S HA -0.069 4.392 4.470 -0.015 0.000 0.216 176 S C 1.073 175.676 174.600 0.005 0.000 1.032 176 S CA 0.642 58.844 58.200 0.003 0.000 1.000 176 S CB -1.037 62.161 63.200 -0.004 0.000 0.928 176 S HN 0.891 nan 8.310 nan 0.000 0.434 177 S N 2.880 118.583 115.700 0.005 0.000 2.573 177 S HA 0.135 4.596 4.470 -0.015 0.000 0.297 177 S C -0.143 174.459 174.600 0.004 0.000 1.280 177 S CA -0.310 57.891 58.200 0.002 0.000 1.061 177 S CB -0.630 62.571 63.200 0.003 0.000 0.812 177 S HN 0.561 nan 8.310 nan 0.000 0.500 178 N N 0.780 119.479 118.700 -0.001 0.000 2.469 178 N HA -0.178 4.553 4.740 -0.015 0.000 0.283 178 N C -1.070 174.448 175.510 0.013 0.000 1.326 178 N CA 0.418 53.467 53.050 -0.000 0.000 0.646 178 N CB -1.591 36.892 38.487 -0.006 0.000 0.894 178 N HN 0.863 nan 8.380 nan 0.000 0.533 179 N N 1.525 120.231 118.700 0.009 0.000 2.431 179 N HA 0.163 4.894 4.740 -0.015 0.000 0.265 179 N C 1.286 176.818 175.510 0.036 0.000 1.184 179 N CA -0.202 52.862 53.050 0.023 0.000 0.943 179 N CB 0.506 38.998 38.487 0.008 0.000 1.080 179 N HN 0.442 nan 8.380 nan 0.000 0.477 180 I N 3.904 124.515 120.570 0.067 0.000 2.315 180 I HA -0.228 3.932 4.170 -0.015 0.000 0.248 180 I C 2.283 178.435 176.117 0.060 0.000 1.117 180 I CA 0.631 61.968 61.300 0.063 0.000 1.404 180 I CB -0.043 38.029 38.000 0.121 0.000 1.071 180 I HN 0.558 nan 8.210 nan 0.000 0.419 181 L N 0.685 121.956 121.223 0.079 0.000 2.017 181 L HA -0.201 4.130 4.340 -0.015 0.000 0.208 181 L C 2.486 179.412 176.870 0.093 0.000 1.073 181 L CA 1.727 56.610 54.840 0.072 0.000 0.745 181 L CB -0.145 41.953 42.059 0.066 0.000 0.894 181 L HN 0.122 nan 8.230 nan 0.000 0.432 182 I N -0.006 120.627 120.570 0.105 0.000 2.226 182 I HA -0.281 3.879 4.170 -0.015 0.000 0.245 182 I C 2.796 178.970 176.117 0.095 0.000 1.100 182 I CA 1.072 62.459 61.300 0.144 0.000 1.374 182 I CB -0.625 37.402 38.000 0.046 0.000 1.057 182 I HN 0.371 nan 8.210 nan 0.000 0.413 183 A N 1.180 124.026 122.820 0.043 0.000 1.892 183 A HA -0.218 4.093 4.320 -0.015 0.000 0.218 183 A C 2.291 179.878 177.584 0.005 0.000 1.188 183 A CA 1.811 53.857 52.037 0.014 0.000 0.631 183 A CB -0.854 18.142 19.000 -0.008 0.000 0.822 183 A HN 0.411 nan 8.150 nan 0.000 0.447 184 I N -0.807 119.764 120.570 0.001 0.000 2.233 184 I HA -0.158 4.003 4.170 -0.015 0.000 0.243 184 I C 2.315 178.412 176.117 -0.034 0.000 1.093 184 I CA 0.943 62.228 61.300 -0.024 0.000 1.380 184 I CB -0.359 37.623 38.000 -0.029 0.000 1.067 184 I HN 0.140 nan 8.210 nan 0.000 0.413 185 V N 0.516 120.412 119.914 -0.030 0.000 2.407 185 V HA -0.256 3.855 4.120 -0.015 0.000 0.248 185 V C 2.529 178.584 176.094 -0.065 0.000 1.055 185 V CA 1.545 63.777 62.300 -0.113 0.000 1.049 185 V CB -0.671 31.001 31.823 -0.251 0.000 0.662 185 V HN 0.445 nan 8.190 nan 0.000 0.455 186 Q N 0.361 120.184 119.800 0.039 0.000 2.124 186 Q HA -0.135 4.196 4.340 -0.015 0.000 0.202 186 Q C 2.420 178.418 176.000 -0.003 0.000 0.977 186 Q CA 1.844 57.676 55.803 0.050 0.000 0.850 186 Q CB -0.900 27.880 28.738 0.071 0.000 0.901 186 Q HN 0.680 nan 8.270 nan 0.000 0.429 187 G N 0.224 109.013 108.800 -0.019 0.000 2.498 187 G HA2 -0.092 3.859 3.960 -0.015 0.000 0.219 187 G HA3 -0.092 3.859 3.960 -0.015 0.000 0.219 187 G C 1.301 176.175 174.900 -0.044 0.000 1.119 187 G CA 0.877 45.958 45.100 -0.032 0.000 0.766 187 G HN 0.415 nan 8.290 nan 0.000 0.552 188 A N -0.725 122.059 122.820 -0.060 0.000 2.238 188 A HA 0.282 4.593 4.320 -0.015 0.000 0.210 188 A C 1.373 178.911 177.584 -0.077 0.000 1.179 188 A CA -0.047 51.944 52.037 -0.077 0.000 0.827 188 A CB 0.042 18.978 19.000 -0.107 0.000 0.856 188 A HN 0.305 nan 8.150 nan 0.000 0.488 189 Q N 0.636 120.399 119.800 -0.061 0.000 2.361 189 Q HA 0.035 4.366 4.340 -0.015 0.000 0.276 189 Q C 1.447 177.422 176.000 -0.041 0.000 1.022 189 Q CA 0.677 56.450 55.803 -0.049 0.000 0.898 189 Q CB 0.814 29.542 28.738 -0.017 0.000 1.246 189 Q HN 0.581 nan 8.270 nan 0.000 0.410 190 S N 0.429 116.104 115.700 -0.042 0.000 2.469 190 S HA -0.157 4.303 4.470 -0.015 0.000 0.238 190 S C 1.581 176.168 174.600 -0.023 0.000 0.998 190 S CA 1.555 59.734 58.200 -0.034 0.000 0.957 190 S CB -0.446 62.734 63.200 -0.034 0.000 0.764 190 S HN 0.766 nan 8.310 nan 0.000 0.514 191 T N -1.284 113.260 114.554 -0.017 0.000 3.098 191 T HA 0.054 4.395 4.350 -0.015 0.000 0.266 191 T C 0.559 175.251 174.700 -0.014 0.000 1.145 191 T CA 0.405 62.497 62.100 -0.012 0.000 1.092 191 T CB -0.412 68.453 68.868 -0.006 0.000 0.908 191 T HN 0.217 nan 8.240 nan 0.000 0.526 192 E N 1.863 122.052 120.200 -0.018 0.000 2.180 192 E HA 0.197 4.538 4.350 -0.015 0.000 0.283 192 E C 0.854 177.443 176.600 -0.018 0.000 1.061 192 E CA -0.072 56.317 56.400 -0.019 0.000 0.861 192 E CB 1.367 31.053 29.700 -0.024 0.000 1.056 192 E HN 0.322 nan 8.360 nan 0.000 0.407 193 T N 1.193 115.738 114.554 -0.015 0.000 2.867 193 T HA -0.107 4.234 4.350 -0.015 0.000 0.268 193 T C 1.063 175.754 174.700 -0.014 0.000 1.057 193 T CA 0.811 62.903 62.100 -0.013 0.000 1.136 193 T CB 0.120 68.981 68.868 -0.011 0.000 0.874 193 T HN 0.267 nan 8.240 nan 0.000 0.466 194 S N 1.513 117.204 115.700 -0.016 0.000 2.430 194 S HA 0.235 4.696 4.470 -0.015 0.000 0.289 194 S C 1.326 175.915 174.600 -0.018 0.000 1.143 194 S CA -0.866 57.325 58.200 -0.016 0.000 1.067 194 S CB 1.014 64.204 63.200 -0.017 0.000 0.964 194 S HN 0.498 nan 8.310 nan 0.000 0.485 195 K N 5.087 125.478 120.400 -0.015 0.000 2.057 195 K HA -0.045 4.266 4.320 -0.015 0.000 0.207 195 K C 1.945 178.535 176.600 -0.018 0.000 1.049 195 K CA 1.533 57.811 56.287 -0.016 0.000 0.931 195 K CB -0.672 31.822 32.500 -0.010 0.000 0.714 195 K HN 0.617 nan 8.250 nan 0.000 0.440 196 A N 1.319 124.129 122.820 -0.016 0.000 1.948 196 A HA -0.107 4.204 4.320 -0.015 0.000 0.220 196 A C 2.310 179.878 177.584 -0.027 0.000 1.177 196 A CA 1.831 53.857 52.037 -0.019 0.000 0.636 196 A CB -0.687 18.302 19.000 -0.017 0.000 0.815 196 A HN 0.202 nan 8.150 nan 0.000 0.449 197 V N -0.563 119.334 119.914 -0.029 0.000 2.453 197 V HA -0.183 3.928 4.120 -0.015 0.000 0.247 197 V C 2.585 178.655 176.094 -0.039 0.000 1.048 197 V CA 1.963 64.242 62.300 -0.035 0.000 1.049 197 V CB -0.720 31.084 31.823 -0.031 0.000 0.672 197 V HN 0.513 nan 8.190 nan 0.000 0.457 198 R N -0.656 119.823 120.500 -0.035 0.000 2.075 198 R HA -0.114 4.216 4.340 -0.015 0.000 0.232 198 R C 2.245 178.521 176.300 -0.040 0.000 1.126 198 R CA 1.238 57.313 56.100 -0.040 0.000 0.963 198 R CB -0.442 29.834 30.300 -0.039 0.000 0.858 198 R HN 0.308 nan 8.270 nan 0.000 0.435 199 L N 0.484 121.688 121.223 -0.032 0.000 1.989 199 L HA -0.207 4.124 4.340 -0.015 0.000 0.211 199 L C 2.503 179.352 176.870 -0.036 0.000 1.071 199 L CA 2.113 56.937 54.840 -0.027 0.000 0.749 199 L CB -0.780 41.269 42.059 -0.018 0.000 0.890 199 L HN 0.182 nan 8.230 nan 0.000 0.431 200 A N -0.950 121.843 122.820 -0.045 0.000 1.948 200 A HA -0.242 4.069 4.320 -0.015 0.000 0.220 200 A C 2.442 179.985 177.584 -0.068 0.000 1.177 200 A CA 2.142 54.141 52.037 -0.064 0.000 0.636 200 A CB -1.031 17.925 19.000 -0.074 0.000 0.815 200 A HN 0.469 nan 8.150 nan 0.000 0.449 201 A N -0.468 122.316 122.820 -0.060 0.000 1.873 201 A HA 0.022 4.333 4.320 -0.015 0.000 0.215 201 A C 2.163 179.712 177.584 -0.058 0.000 1.186 201 A CA 1.434 53.435 52.037 -0.061 0.000 0.616 201 A CB -0.595 18.370 19.000 -0.058 0.000 0.823 201 A HN 0.461 nan 8.150 nan 0.000 0.442 202 L N -0.176 121.015 121.223 -0.054 0.000 2.141 202 L HA -0.169 4.162 4.340 -0.015 0.000 0.209 202 L C 2.171 179.023 176.870 -0.031 0.000 1.094 202 L CA 1.004 55.814 54.840 -0.051 0.000 0.763 202 L CB -0.524 41.504 42.059 -0.051 0.000 0.908 202 L HN 0.350 nan 8.230 nan 0.000 0.437 203 N N 0.126 118.810 118.700 -0.027 0.000 2.216 203 N HA -0.081 4.650 4.740 -0.015 0.000 0.183 203 N C 1.890 177.391 175.510 -0.014 0.000 1.017 203 N CA 1.345 54.389 53.050 -0.010 0.000 0.861 203 N CB -0.203 38.279 38.487 -0.008 0.000 0.986 203 N HN 0.276 nan 8.380 nan 0.000 0.428 204 A N 0.936 123.730 122.820 -0.043 0.000 1.930 204 A HA -0.068 4.243 4.320 -0.015 0.000 0.217 204 A C 2.167 179.737 177.584 -0.024 0.000 1.175 204 A CA 0.853 52.858 52.037 -0.053 0.000 0.627 204 A CB -0.653 18.295 19.000 -0.086 0.000 0.815 204 A HN 0.222 nan 8.150 nan 0.000 0.443 205 L N -0.116 121.092 121.223 -0.023 0.000 2.046 205 L HA -0.086 4.245 4.340 -0.015 0.000 0.208 205 L C 2.627 179.509 176.870 0.021 0.000 1.077 205 L CA 2.234 57.068 54.840 -0.009 0.000 0.747 205 L CB -0.881 41.156 42.059 -0.037 0.000 0.896 205 L HN 0.342 nan 8.230 nan 0.000 0.432 206 A N -0.959 121.874 122.820 0.021 0.000 1.898 206 A HA -0.196 4.115 4.320 -0.015 0.000 0.216 206 A C 1.977 179.596 177.584 0.058 0.000 1.181 206 A CA 1.712 53.775 52.037 0.044 0.000 0.620 206 A CB -0.833 18.190 19.000 0.038 0.000 0.819 206 A HN 0.505 nan 8.150 nan 0.000 0.442 207 D N -0.086 120.344 120.400 0.050 0.000 2.218 207 D HA -0.044 4.587 4.640 -0.015 0.000 0.204 207 D C 1.598 177.940 176.300 0.069 0.000 0.976 207 D CA 1.429 55.466 54.000 0.062 0.000 0.853 207 D CB -0.103 40.737 40.800 0.067 0.000 0.939 207 D HN 0.376 nan 8.370 nan 0.000 0.481 208 S N -0.485 115.259 115.700 0.072 0.000 2.540 208 S HA 0.192 4.653 4.470 -0.015 0.000 0.218 208 S C 1.892 176.609 174.600 0.194 0.000 0.977 208 S CA -0.300 57.968 58.200 0.113 0.000 0.918 208 S CB 0.504 63.745 63.200 0.067 0.000 0.806 208 S HN 0.182 nan 8.310 nan 0.000 0.496 209 L N 0.838 122.165 121.223 0.173 0.000 2.131 209 L HA -0.057 4.274 4.340 -0.015 0.000 0.210 209 L C 1.909 178.964 176.870 0.309 0.000 1.092 209 L CA 1.302 56.288 54.840 0.244 0.000 0.759 209 L CB -0.400 41.810 42.059 0.251 0.000 0.903 209 L HN 0.355 nan 8.230 nan 0.000 0.435 210 I N -1.468 119.236 120.570 0.223 0.000 2.286 210 I HA -0.285 3.876 4.170 -0.015 0.000 0.245 210 I C 2.348 178.591 176.117 0.210 0.000 1.104 210 I CA 1.088 62.502 61.300 0.190 0.000 1.397 210 I CB -0.224 37.846 38.000 0.117 0.000 1.072 210 I HN 0.125 nan 8.210 nan 0.000 0.417 211 F N 2.411 122.411 119.950 0.083 0.000 2.134 211 F HA -0.182 4.336 4.527 -0.015 0.000 0.299 211 F C 2.007 177.842 175.800 0.058 0.000 1.097 211 F CA 1.626 59.661 58.000 0.060 0.000 1.264 211 F CB -0.141 38.884 39.000 0.041 0.000 1.001 211 F HN 0.039 nan 8.300 nan 0.000 0.479 212 I N -1.370 119.306 120.570 0.177 0.000 3.752 212 I HA 0.081 4.242 4.170 -0.015 0.000 0.313 212 I C 1.875 177.978 176.117 -0.024 0.000 1.304 212 I CA 0.157 61.483 61.300 0.043 0.000 1.171 212 I CB -0.748 37.320 38.000 0.114 0.000 1.038 212 I HN 0.113 nan 8.210 nan 0.000 0.427 213 K N 2.073 122.494 120.400 0.035 0.000 2.034 213 K HA -0.262 4.049 4.320 -0.015 0.000 0.214 213 K C 1.656 178.248 176.600 -0.014 0.000 1.051 213 K CA 2.376 58.723 56.287 0.099 0.000 0.931 213 K CB -0.088 32.508 32.500 0.160 0.000 0.715 213 K HN 0.451 nan 8.250 nan 0.000 0.446 214 N N 1.090 119.756 118.700 -0.057 0.000 2.166 214 N HA -0.144 4.586 4.740 -0.015 0.000 0.186 214 N C 1.413 176.868 175.510 -0.093 0.000 1.019 214 N CA 1.247 54.259 53.050 -0.064 0.000 0.856 214 N CB -0.508 37.930 38.487 -0.081 0.000 0.993 214 N HN 0.385 nan 8.380 nan 0.000 0.426 215 N N 0.548 119.183 118.700 -0.109 0.000 2.142 215 N HA -0.050 4.681 4.740 -0.015 0.000 0.186 215 N C 1.548 176.950 175.510 -0.180 0.000 1.023 215 N CA 0.839 53.823 53.050 -0.111 0.000 0.852 215 N CB -0.097 38.346 38.487 -0.073 0.000 0.998 215 N HN 0.194 nan 8.380 nan 0.000 0.424 216 M N 1.331 120.769 119.600 -0.269 0.000 2.279 216 M HA -0.065 4.405 4.480 -0.015 0.000 0.264 216 M C 1.206 177.177 176.300 -0.549 0.000 1.062 216 M CA 1.172 56.186 55.300 -0.476 0.000 1.099 216 M CB -0.749 31.325 32.600 -0.877 0.000 1.394 216 M HN 0.141 nan 8.290 nan 0.000 0.426 217 E N -0.265 119.722 120.200 -0.356 0.000 2.502 217 E HA 0.018 4.359 4.350 -0.015 0.000 0.194 217 E C 0.118 176.585 176.600 -0.221 0.000 1.062 217 E CA 0.007 56.218 56.400 -0.314 0.000 0.867 217 E CB 0.247 29.942 29.700 -0.008 0.000 0.888 217 E HN 0.375 nan 8.360 nan 0.000 0.510 218 R N 1.148 121.530 120.500 -0.197 0.000 2.215 218 R HA 0.105 4.436 4.340 -0.015 0.000 0.336 218 R C 0.789 177.009 176.300 -0.133 0.000 0.996 218 R CA -0.126 55.900 56.100 -0.124 0.000 0.847 218 R CB 0.929 31.179 30.300 -0.084 0.000 1.127 218 R HN 0.132 nan 8.270 nan 0.000 0.465 219 E N 2.782 122.922 120.200 -0.100 0.000 2.086 219 E HA -0.243 4.098 4.350 -0.015 0.000 0.200 219 E C 1.730 178.317 176.600 -0.022 0.000 1.012 219 E CA 1.942 58.305 56.400 -0.062 0.000 0.812 219 E CB 0.029 29.715 29.700 -0.022 0.000 0.743 219 E HN 0.882 nan 8.360 nan 0.000 0.453 220 G N 0.591 109.378 108.800 -0.022 0.000 2.459 220 G HA2 -0.310 3.641 3.960 -0.015 0.000 0.217 220 G HA3 -0.310 3.641 3.960 -0.015 0.000 0.217 220 G C 1.339 176.250 174.900 0.018 0.000 1.183 220 G CA 1.050 46.146 45.100 -0.005 0.000 0.776 220 G HN 0.346 nan 8.290 nan 0.000 0.552 221 E N -0.303 119.893 120.200 -0.006 0.000 2.072 221 E HA -0.082 4.259 4.350 -0.015 0.000 0.191 221 E C 2.544 179.164 176.600 0.033 0.000 0.985 221 E CA 0.529 56.952 56.400 0.038 0.000 0.801 221 E CB -0.093 29.601 29.700 -0.010 0.000 0.750 221 E HN 0.366 nan 8.360 nan 0.000 0.452 222 R N 0.889 121.352 120.500 -0.061 0.000 2.066 222 R HA -0.127 4.204 4.340 -0.015 0.000 0.232 222 R C 1.942 178.201 176.300 -0.068 0.000 1.131 222 R CA 1.411 57.438 56.100 -0.122 0.000 0.955 222 R CB 0.018 30.207 30.300 -0.185 0.000 0.851 222 R HN 0.073 nan 8.270 nan 0.000 0.432 223 N N 0.027 118.766 118.700 0.065 0.000 2.104 223 N HA -0.228 4.503 4.740 -0.015 0.000 0.190 223 N C 1.463 177.004 175.510 0.052 0.000 1.024 223 N CA 1.404 54.532 53.050 0.130 0.000 0.853 223 N CB -0.617 37.967 38.487 0.162 0.000 1.008 223 N HN 0.334 nan 8.380 nan 0.000 0.424 224 Y N 1.489 121.753 120.300 -0.059 0.000 2.114 224 Y HA -0.086 4.455 4.550 -0.015 0.000 0.284 224 Y C 2.322 178.160 175.900 -0.104 0.000 1.143 224 Y CA 1.209 59.268 58.100 -0.069 0.000 1.135 224 Y CB -0.777 37.647 38.460 -0.060 0.000 0.980 224 Y HN 0.071 nan 8.280 nan 0.000 0.499 225 L N -0.582 120.435 121.223 -0.342 0.000 2.042 225 L HA -0.250 4.081 4.340 -0.015 0.000 0.210 225 L C 2.214 178.854 176.870 -0.383 0.000 1.076 225 L CA 1.715 56.286 54.840 -0.448 0.000 0.749 225 L CB -0.362 41.531 42.059 -0.275 0.000 0.893 225 L HN 0.296 nan 8.230 nan 0.000 0.432 226 M N -0.707 118.670 119.600 -0.373 0.000 2.159 226 M HA -0.217 4.254 4.480 -0.015 0.000 0.263 226 M C 2.248 178.357 176.300 -0.318 0.000 1.063 226 M CA 1.527 56.562 55.300 -0.441 0.000 1.110 226 M CB -1.276 30.829 32.600 -0.824 0.000 1.374 226 M HN 0.478 nan 8.290 nan 0.000 0.411 227 Q N 0.384 120.042 119.800 -0.237 0.000 2.084 227 Q HA -0.128 4.203 4.340 -0.015 0.000 0.202 227 Q C 1.985 177.868 176.000 -0.195 0.000 0.978 227 Q CA 1.652 57.360 55.803 -0.158 0.000 0.844 227 Q CB -0.055 28.639 28.738 -0.073 0.000 0.898 227 Q HN 0.365 nan 8.270 nan 0.000 0.426 228 V N 0.180 119.927 119.914 -0.277 0.000 2.379 228 V HA -0.201 3.910 4.120 -0.015 0.000 0.245 228 V C 2.570 178.521 176.094 -0.238 0.000 1.044 228 V CA 1.332 63.473 62.300 -0.265 0.000 1.036 228 V CB -0.493 31.109 31.823 -0.369 0.000 0.664 228 V HN 0.144 nan 8.190 nan 0.000 0.453 229 V N -0.862 118.893 119.914 -0.265 0.000 2.343 229 V HA -0.303 3.808 4.120 -0.015 0.000 0.247 229 V C 2.545 178.472 176.094 -0.279 0.000 1.051 229 V CA 2.280 64.429 62.300 -0.252 0.000 1.036 229 V CB -0.813 30.862 31.823 -0.248 0.000 0.654 229 V HN 0.638 nan 8.190 nan 0.000 0.451 230 C N -0.273 118.863 119.300 -0.273 0.000 2.425 230 C HA -0.115 4.336 4.460 -0.015 0.000 0.277 230 C C 2.727 177.582 174.990 -0.226 0.000 1.280 230 C CA 0.616 59.468 59.018 -0.275 0.000 1.744 230 C CB -1.005 26.605 27.740 -0.216 0.000 1.989 230 C HN 0.590 nan 8.230 nan 0.000 0.491 231 E N 1.144 121.239 120.200 -0.175 0.000 2.085 231 E HA -0.197 4.144 4.350 -0.015 0.000 0.194 231 E C 2.409 178.925 176.600 -0.140 0.000 0.994 231 E CA 1.587 57.907 56.400 -0.132 0.000 0.801 231 E CB -0.567 29.068 29.700 -0.108 0.000 0.743 231 E HN 0.686 nan 8.360 nan 0.000 0.453 232 A N 1.521 124.242 122.820 -0.165 0.000 1.978 232 A HA -0.189 4.122 4.320 -0.015 0.000 0.220 232 A C 2.473 179.960 177.584 -0.162 0.000 1.170 232 A CA 2.367 54.316 52.037 -0.147 0.000 0.636 232 A CB -1.056 17.853 19.000 -0.151 0.000 0.810 232 A HN 0.430 nan 8.150 nan 0.000 0.448 233 T N -3.061 111.333 114.554 -0.266 0.000 2.929 233 T HA -0.117 4.224 4.350 -0.015 0.000 0.271 233 T C 1.286 175.916 174.700 -0.118 0.000 1.085 233 T CA 1.440 63.340 62.100 -0.334 0.000 1.125 233 T CB -0.223 68.192 68.868 -0.756 0.000 0.874 233 T HN 0.394 nan 8.240 nan 0.000 0.494 234 Q N 0.971 120.710 119.800 -0.103 0.000 2.222 234 Q HA 0.554 4.885 4.340 -0.015 0.000 0.206 234 Q C 0.642 176.624 176.000 -0.030 0.000 0.877 234 Q CA -0.069 55.708 55.803 -0.043 0.000 0.958 234 Q CB 0.055 28.764 28.738 -0.049 0.000 1.075 234 Q HN 0.754 nan 8.270 nan 0.000 0.483 235 A N 0.734 123.533 122.820 -0.034 0.000 2.366 235 A HA 0.084 4.395 4.320 -0.015 0.000 0.249 235 A C 1.293 178.874 177.584 -0.006 0.000 1.084 235 A CA -0.244 51.779 52.037 -0.024 0.000 0.794 235 A CB 0.629 19.612 19.000 -0.029 0.000 1.034 235 A HN 0.087 nan 8.150 nan 0.000 0.491 236 E N 0.356 120.552 120.200 -0.006 0.000 2.058 236 E HA -0.178 4.163 4.350 -0.015 0.000 0.194 236 E C 0.079 176.682 176.600 0.005 0.000 0.997 236 E CA 1.360 57.760 56.400 -0.000 0.000 0.801 236 E CB -0.140 29.558 29.700 -0.003 0.000 0.746 236 E HN 0.836 nan 8.360 nan 0.000 0.450 237 D N -0.343 120.058 120.400 0.002 0.000 2.348 237 D HA 0.008 4.639 4.640 -0.015 0.000 0.253 237 D C 0.946 177.255 176.300 0.015 0.000 1.161 237 D CA -0.098 53.905 54.000 0.006 0.000 0.876 237 D CB 0.692 41.493 40.800 0.001 0.000 1.160 237 D HN -0.167 nan 8.370 nan 0.000 0.459 238 I N 3.175 123.757 120.570 0.020 0.000 2.286 238 I HA -0.173 3.988 4.170 -0.015 0.000 0.248 238 I C 1.813 177.952 176.117 0.036 0.000 1.115 238 I CA 1.409 62.727 61.300 0.030 0.000 1.392 238 I CB -0.042 37.973 38.000 0.024 0.000 1.065 238 I HN 0.596 nan 8.210 nan 0.000 0.418 239 E N -0.907 119.308 120.200 0.026 0.000 2.208 239 E HA -0.123 4.218 4.350 -0.015 0.000 0.193 239 E C 2.287 178.901 176.600 0.024 0.000 0.988 239 E CA 0.855 57.270 56.400 0.026 0.000 0.828 239 E CB 0.072 29.782 29.700 0.018 0.000 0.763 239 E HN 0.301 nan 8.360 nan 0.000 0.478 240 V N 1.296 121.218 119.914 0.014 0.000 2.379 240 V HA -0.246 3.864 4.120 -0.015 0.000 0.245 240 V C 2.202 178.300 176.094 0.008 0.000 1.044 240 V CA 1.590 63.889 62.300 -0.000 0.000 1.036 240 V CB -0.383 31.431 31.823 -0.015 0.000 0.664 240 V HN 0.237 nan 8.190 nan 0.000 0.453 241 Q N -0.010 119.811 119.800 0.035 0.000 2.045 241 Q HA -0.265 4.066 4.340 -0.015 0.000 0.206 241 Q C 2.445 178.549 176.000 0.173 0.000 0.991 241 Q CA 2.085 57.943 55.803 0.092 0.000 0.851 241 Q CB -0.509 28.312 28.738 0.139 0.000 0.911 241 Q HN 0.663 nan 8.270 nan 0.000 0.418 242 A N 1.165 124.067 122.820 0.137 0.000 1.892 242 A HA -0.231 4.080 4.320 -0.015 0.000 0.218 242 A C 2.311 179.970 177.584 0.126 0.000 1.188 242 A CA 2.012 54.133 52.037 0.140 0.000 0.631 242 A CB -0.978 18.070 19.000 0.079 0.000 0.822 242 A HN 0.450 nan 8.150 nan 0.000 0.447 243 A N -0.622 122.237 122.820 0.065 0.000 1.969 243 A HA 0.242 4.553 4.320 -0.015 0.000 0.218 243 A C 2.457 180.046 177.584 0.009 0.000 1.169 243 A CA 1.887 53.945 52.037 0.035 0.000 0.635 243 A CB -0.865 18.140 19.000 0.009 0.000 0.810 243 A HN 1.043 nan 8.150 nan 0.000 0.445 244 A N -0.879 121.923 122.820 -0.030 0.000 1.873 244 A HA 0.021 4.332 4.320 -0.015 0.000 0.215 244 A C 1.909 179.389 177.584 -0.173 0.000 1.186 244 A CA 1.459 53.408 52.037 -0.146 0.000 0.616 244 A CB -0.765 18.086 19.000 -0.247 0.000 0.823 244 A HN 0.436 nan 8.150 nan 0.000 0.442 245 F N 0.628 120.538 119.950 -0.066 0.000 2.171 245 F HA -0.038 4.480 4.527 -0.015 0.000 0.300 245 F C 2.627 178.429 175.800 0.003 0.000 1.090 245 F CA 0.982 58.944 58.000 -0.065 0.000 1.293 245 F CB -0.874 38.096 39.000 -0.050 0.000 1.013 245 F HN 0.282 nan 8.300 nan 0.000 0.486 246 G N -0.821 108.088 108.800 0.181 0.000 2.476 246 G HA2 -0.307 3.644 3.960 -0.015 0.000 0.218 246 G HA3 -0.307 3.644 3.960 -0.015 0.000 0.218 246 G C 1.808 176.762 174.900 0.090 0.000 1.164 246 G CA 1.351 46.523 45.100 0.120 0.000 0.768 246 G HN 0.438 nan 8.290 nan 0.000 0.560 247 C N 0.109 119.434 119.300 0.041 0.000 2.429 247 C HA 0.091 4.542 4.460 -0.015 0.000 0.277 247 C C 2.955 177.974 174.990 0.047 0.000 1.262 247 C CA 0.561 59.593 59.018 0.023 0.000 1.733 247 C CB -1.094 26.625 27.740 -0.035 0.000 2.010 247 C HN 0.450 nan 8.230 nan 0.000 0.483 248 L N -0.046 121.192 121.223 0.025 0.000 2.012 248 L HA -0.235 4.096 4.340 -0.015 0.000 0.210 248 L C 2.724 179.769 176.870 0.290 0.000 1.073 248 L CA 1.557 56.453 54.840 0.093 0.000 0.748 248 L CB -0.818 41.184 42.059 -0.095 0.000 0.891 248 L HN 0.448 nan 8.230 nan 0.000 0.431 249 C N -0.219 119.266 119.300 0.307 0.000 2.413 249 C HA -0.194 4.257 4.460 -0.015 0.000 0.276 249 C C 2.852 177.924 174.990 0.137 0.000 1.236 249 C CA 0.866 60.028 59.018 0.241 0.000 1.735 249 C CB -0.708 27.146 27.740 0.190 0.000 2.031 249 C HN 0.420 nan 8.230 nan 0.000 0.474 250 K N 0.308 120.779 120.400 0.119 0.000 2.057 250 K HA -0.069 4.242 4.320 -0.015 0.000 0.207 250 K C 1.723 178.394 176.600 0.118 0.000 1.049 250 K CA 1.332 57.673 56.287 0.091 0.000 0.931 250 K CB -0.222 32.327 32.500 0.081 0.000 0.714 250 K HN 0.486 nan 8.250 nan 0.000 0.440 251 I N 0.513 121.182 120.570 0.165 0.000 2.226 251 I HA -0.290 3.871 4.170 -0.015 0.000 0.245 251 I C 2.453 178.721 176.117 0.250 0.000 1.100 251 I CA 0.880 62.333 61.300 0.255 0.000 1.374 251 I CB -0.112 38.002 38.000 0.189 0.000 1.057 251 I HN 0.219 nan 8.210 nan 0.000 0.413 252 M N 0.806 120.524 119.600 0.196 0.000 2.117 252 M HA -0.205 4.266 4.480 -0.015 0.000 0.262 252 M C 2.434 178.846 176.300 0.186 0.000 1.065 252 M CA 2.305 57.712 55.300 0.177 0.000 1.114 252 M CB -0.463 32.145 32.600 0.013 0.000 1.361 252 M HN 0.275 nan 8.290 nan 0.000 0.408 253 S N -0.836 114.923 115.700 0.098 0.000 2.470 253 S HA -0.014 4.447 4.470 -0.015 0.000 0.225 253 S C 1.699 176.291 174.600 -0.014 0.000 1.006 253 S CA 0.550 58.776 58.200 0.044 0.000 0.934 253 S CB -0.435 62.766 63.200 0.001 0.000 0.778 253 S HN 0.637 nan 8.310 nan 0.000 0.517 254 K N -0.370 119.982 120.400 -0.080 0.000 2.242 254 K HA 0.131 4.442 4.320 -0.015 0.000 0.200 254 K C 0.092 176.415 176.600 -0.462 0.000 1.050 254 K CA 0.664 56.732 56.287 -0.364 0.000 0.981 254 K CB -0.034 32.057 32.500 -0.682 0.000 0.795 254 K HN 0.503 nan 8.250 nan 0.000 0.477 255 Y N -0.600 119.830 120.300 0.217 0.000 2.715 255 Y HA 0.132 4.674 4.550 -0.015 0.000 0.255 255 Y C 1.186 177.291 175.900 0.341 0.000 1.139 255 Y CA -1.436 56.853 58.100 0.315 0.000 1.151 255 Y CB -0.420 38.252 38.460 0.354 0.000 1.201 255 Y HN 0.033 nan 8.280 nan 0.000 0.556 256 Y N 0.964 121.408 120.300 0.239 0.000 2.133 256 Y HA -0.437 4.105 4.550 -0.014 0.000 0.279 256 Y C 2.587 178.686 175.900 0.331 0.000 1.209 256 Y CA 2.543 60.799 58.100 0.261 0.000 1.152 256 Y CB -0.331 38.210 38.460 0.136 0.000 0.961 256 Y HN 0.250 nan 8.280 nan 0.000 0.512 257 T N -0.796 113.937 114.554 0.299 0.000 2.929 257 T HA -0.190 4.151 4.350 -0.015 0.000 0.271 257 T C 1.089 175.780 174.700 -0.015 0.000 1.085 257 T CA 1.592 63.746 62.100 0.090 0.000 1.125 257 T CB -0.620 68.134 68.868 -0.190 0.000 0.874 257 T HN 0.389 nan 8.240 nan 0.000 0.494 258 F N -0.061 120.054 119.950 0.275 0.000 2.664 258 F HA 0.382 4.900 4.527 -0.014 0.000 0.303 258 F C 1.738 177.639 175.800 0.170 0.000 1.092 258 F CA -0.433 57.688 58.000 0.202 0.000 1.305 258 F CB 0.194 39.331 39.000 0.228 0.000 1.054 258 F HN 0.102 nan 8.300 nan 0.000 0.565 259 M N -0.176 119.588 119.600 0.274 0.000 2.541 259 M HA -0.004 4.467 4.480 -0.015 0.000 0.252 259 M C 2.131 178.446 176.300 0.025 0.000 1.125 259 M CA 0.764 56.199 55.300 0.225 0.000 1.091 259 M CB -0.647 32.034 32.600 0.135 0.000 1.420 259 M HN 0.143 nan 8.290 nan 0.000 0.486 260 K N 1.299 121.580 120.400 -0.198 0.000 2.009 260 K HA -0.153 4.158 4.320 -0.015 0.000 0.210 260 K C -0.920 175.554 176.600 -0.209 0.000 1.049 260 K CA 1.601 57.720 56.287 -0.280 0.000 0.929 260 K CB -0.804 31.239 32.500 -0.762 0.000 0.714 260 K HN 0.085 nan 8.250 nan 0.000 0.440 261 P HA -0.155 nan 4.420 nan 0.000 0.216 261 P C 0.619 177.726 177.300 -0.322 0.000 1.150 261 P CA 1.407 64.293 63.100 -0.356 0.000 0.837 261 P CB -0.074 31.315 31.700 -0.519 0.000 0.786 262 Y N -2.145 118.130 120.300 -0.042 0.000 2.286 262 Y HA -0.018 4.522 4.550 -0.015 0.000 0.293 262 Y C 2.506 178.378 175.900 -0.047 0.000 1.124 262 Y CA 0.648 58.723 58.100 -0.042 0.000 1.178 262 Y CB -1.192 37.242 38.460 -0.043 0.000 1.010 262 Y HN -0.161 nan 8.280 nan 0.000 0.536 263 M N 0.296 119.916 119.600 0.033 0.000 2.080 263 M HA -0.214 4.257 4.480 -0.015 0.000 0.260 263 M C 1.892 178.230 176.300 0.064 0.000 1.068 263 M CA 1.683 56.971 55.300 -0.019 0.000 1.109 263 M CB -1.032 31.370 32.600 -0.331 0.000 1.342 263 M HN 0.372 nan 8.290 nan 0.000 0.405 264 E N -0.543 119.659 120.200 0.003 0.000 2.106 264 E HA -0.188 4.153 4.350 -0.015 0.000 0.192 264 E C 2.186 178.797 176.600 0.019 0.000 0.984 264 E CA 0.813 57.206 56.400 -0.010 0.000 0.806 264 E CB 0.076 29.748 29.700 -0.046 0.000 0.750 264 E HN 0.466 nan 8.360 nan 0.000 0.458 265 Q N -0.666 119.147 119.800 0.022 0.000 2.020 265 Q HA -0.042 4.289 4.340 -0.015 0.000 0.198 265 Q C 1.503 177.543 176.000 0.065 0.000 0.974 265 Q CA 1.758 57.581 55.803 0.034 0.000 0.829 265 Q CB 0.224 28.983 28.738 0.034 0.000 0.894 265 Q HN 0.290 nan 8.270 nan 0.000 0.433 266 A N -1.464 121.409 122.820 0.089 0.000 1.792 266 A HA 0.193 4.504 4.320 -0.015 0.000 0.189 266 A C 1.711 179.341 177.584 0.076 0.000 1.926 266 A CA -0.201 51.883 52.037 0.078 0.000 1.493 266 A CB -0.541 18.486 19.000 0.044 0.000 1.554 266 A HN 0.161 nan 8.150 nan 0.000 0.340 267 L N -0.699 120.566 121.223 0.070 0.000 2.043 267 L HA -0.221 4.110 4.340 -0.015 0.000 0.212 267 L C 2.424 179.355 176.870 0.102 0.000 1.075 267 L CA 2.468 57.318 54.840 0.016 0.000 0.752 267 L CB -0.412 41.650 42.059 0.005 0.000 0.891 267 L HN 0.691 nan 8.230 nan 0.000 0.432 268 Y N 0.205 120.554 120.300 0.082 0.000 2.070 268 Y HA -0.330 4.211 4.550 -0.015 0.000 0.280 268 Y C 2.460 178.478 175.900 0.197 0.000 1.148 268 Y CA 1.885 60.107 58.100 0.204 0.000 1.125 268 Y CB -0.375 38.198 38.460 0.188 0.000 0.975 268 Y HN 0.159 nan 8.280 nan 0.000 0.492 269 A N 0.154 123.149 122.820 0.292 0.000 2.019 269 A HA -0.160 4.151 4.320 -0.015 0.000 0.219 269 A C 2.051 179.674 177.584 0.065 0.000 1.164 269 A CA 1.854 53.992 52.037 0.168 0.000 0.644 269 A CB -1.227 17.882 19.000 0.182 0.000 0.805 269 A HN 0.685 nan 8.150 nan 0.000 0.449 270 L N -1.144 120.113 121.223 0.057 0.000 2.162 270 L HA 0.022 4.353 4.340 -0.015 0.000 0.205 270 L C 2.271 179.184 176.870 0.071 0.000 1.086 270 L CA 2.601 57.464 54.840 0.038 0.000 0.778 270 L CB -1.799 40.259 42.059 -0.002 0.000 0.928 270 L HN 0.308 nan 8.230 nan 0.000 0.446 271 T N -2.150 112.454 114.554 0.083 0.000 2.788 271 T HA -0.096 4.245 4.350 -0.015 0.000 0.268 271 T C 1.915 176.710 174.700 0.159 0.000 1.044 271 T CA 1.390 63.600 62.100 0.183 0.000 1.139 271 T CB -0.642 68.378 68.868 0.254 0.000 0.867 271 T HN 0.222 nan 8.240 nan 0.000 0.454 272 I N 2.893 123.482 120.570 0.031 0.000 2.142 272 I HA -0.013 4.147 4.170 -0.015 0.000 0.240 272 I C 3.163 179.263 176.117 -0.029 0.000 1.078 272 I CA 0.933 62.188 61.300 -0.076 0.000 1.343 272 I CB -1.887 35.996 38.000 -0.194 0.000 1.046 272 I HN 0.390 nan 8.210 nan 0.000 0.405 273 A N 0.194 123.014 122.820 -0.000 0.000 1.883 273 A HA -0.214 4.097 4.320 -0.015 0.000 0.217 273 A C 2.410 180.001 177.584 0.011 0.000 1.186 273 A CA 2.520 54.561 52.037 0.007 0.000 0.624 273 A CB -1.251 17.761 19.000 0.020 0.000 0.822 273 A HN 0.437 nan 8.150 nan 0.000 0.444 274 T N -0.380 114.197 114.554 0.039 0.000 2.881 274 T HA -0.137 4.204 4.350 -0.015 0.000 0.270 274 T C 1.799 176.484 174.700 -0.025 0.000 1.068 274 T CA 1.523 63.642 62.100 0.032 0.000 1.131 274 T CB -0.269 68.663 68.868 0.108 0.000 0.871 274 T HN 0.480 nan 8.240 nan 0.000 0.479 275 M N 0.539 120.125 119.600 -0.024 0.000 2.296 275 M HA -0.033 4.438 4.480 -0.015 0.000 0.265 275 M C 1.467 177.732 176.300 -0.059 0.000 1.064 275 M CA 1.473 56.744 55.300 -0.048 0.000 1.109 275 M CB -0.083 32.486 32.600 -0.053 0.000 1.396 275 M HN 0.059 nan 8.290 nan 0.000 0.430 276 K N -0.339 120.032 120.400 -0.048 0.000 2.458 276 K HA 0.081 4.392 4.320 -0.015 0.000 0.194 276 K C 0.611 177.190 176.600 -0.036 0.000 1.024 276 K CA -0.170 56.090 56.287 -0.046 0.000 1.108 276 K CB -0.034 32.444 32.500 -0.037 0.000 0.846 276 K HN 0.154 nan 8.250 nan 0.000 0.518 277 S N 2.299 117.979 115.700 -0.033 0.000 2.552 277 S HA 0.033 4.494 4.470 -0.015 0.000 0.289 277 S C -1.508 173.075 174.600 -0.029 0.000 1.304 277 S CA -1.315 56.870 58.200 -0.025 0.000 1.063 277 S CB 0.608 63.794 63.200 -0.023 0.000 0.848 277 S HN 0.037 nan 8.310 nan 0.000 0.499 278 P HA -0.033 nan 4.420 nan 0.000 0.230 278 P C 0.085 177.372 177.300 -0.022 0.000 1.158 278 P CA 0.419 63.505 63.100 -0.024 0.000 0.769 278 P CB -0.155 31.534 31.700 -0.018 0.000 0.807 279 N N 0.984 119.673 118.700 -0.018 0.000 2.430 279 N HA -0.009 4.722 4.740 -0.015 0.000 0.265 279 N C 0.370 175.866 175.510 -0.023 0.000 1.100 279 N CA 0.009 53.049 53.050 -0.015 0.000 0.961 279 N CB 0.722 39.205 38.487 -0.007 0.000 1.075 279 N HN -0.207 nan 8.380 nan 0.000 0.478 280 D N 3.530 123.917 120.400 -0.021 0.000 2.117 280 D HA -0.132 4.498 4.640 -0.015 0.000 0.197 280 D C 1.272 177.560 176.300 -0.021 0.000 0.987 280 D CA 1.610 55.595 54.000 -0.025 0.000 0.829 280 D CB 0.304 41.092 40.800 -0.020 0.000 0.961 280 D HN 0.616 nan 8.370 nan 0.000 0.460 281 K N 0.160 120.554 120.400 -0.010 0.000 2.148 281 K HA -0.025 4.286 4.320 -0.015 0.000 0.204 281 K C 2.086 178.668 176.600 -0.031 0.000 1.050 281 K CA 0.437 56.722 56.287 -0.004 0.000 0.942 281 K CB 0.107 32.613 32.500 0.011 0.000 0.724 281 K HN 0.012 nan 8.250 nan 0.000 0.446 282 V N 1.301 121.191 119.914 -0.040 0.000 2.379 282 V HA -0.182 3.929 4.120 -0.015 0.000 0.245 282 V C 2.338 178.340 176.094 -0.154 0.000 1.044 282 V CA 1.907 64.162 62.300 -0.075 0.000 1.036 282 V CB -0.534 31.273 31.823 -0.026 0.000 0.664 282 V HN 0.333 nan 8.190 nan 0.000 0.453 283 A N -0.006 122.754 122.820 -0.101 0.000 1.902 283 A HA -0.199 4.112 4.320 -0.015 0.000 0.217 283 A C 2.484 180.008 177.584 -0.099 0.000 1.181 283 A CA 2.195 54.171 52.037 -0.102 0.000 0.623 283 A CB -0.747 18.212 19.000 -0.068 0.000 0.818 283 A HN 0.507 nan 8.150 nan 0.000 0.443 284 S N 0.062 115.724 115.700 -0.062 0.000 2.374 284 S HA -0.237 4.224 4.470 -0.015 0.000 0.227 284 S C 1.982 176.550 174.600 -0.053 0.000 1.037 284 S CA 1.990 60.182 58.200 -0.013 0.000 1.024 284 S CB -0.518 62.704 63.200 0.036 0.000 0.861 284 S HN 0.617 nan 8.310 nan 0.000 0.456 285 M N 0.561 120.061 119.600 -0.167 0.000 2.117 285 M HA -0.101 4.370 4.480 -0.015 0.000 0.262 285 M C 2.567 178.626 176.300 -0.402 0.000 1.065 285 M CA 1.570 56.706 55.300 -0.274 0.000 1.114 285 M CB -0.907 31.411 32.600 -0.470 0.000 1.361 285 M HN 0.254 nan 8.290 nan 0.000 0.408 286 T N 0.317 114.553 114.554 -0.531 0.000 2.942 286 T HA -0.031 4.310 4.350 -0.015 0.000 0.265 286 T C 1.727 176.512 174.700 0.142 0.000 1.062 286 T CA 0.766 62.675 62.100 -0.318 0.000 1.139 286 T CB -0.062 68.633 68.868 -0.289 0.000 0.883 286 T HN 0.133 nan 8.240 nan 0.000 0.468 287 V N 1.300 121.271 119.914 0.095 0.000 2.343 287 V HA -0.128 3.983 4.120 -0.015 0.000 0.247 287 V C 2.523 178.760 176.094 0.239 0.000 1.051 287 V CA 1.977 64.394 62.300 0.195 0.000 1.036 287 V CB -0.564 31.325 31.823 0.111 0.000 0.654 287 V HN 0.565 nan 8.190 nan 0.000 0.451 288 E N -0.618 119.679 120.200 0.162 0.000 2.070 288 E HA -0.286 4.055 4.350 -0.015 0.000 0.197 288 E C 2.063 178.779 176.600 0.193 0.000 1.004 288 E CA 1.894 58.389 56.400 0.157 0.000 0.805 288 E CB -0.202 29.567 29.700 0.115 0.000 0.744 288 E HN 0.617 nan 8.360 nan 0.000 0.451 289 F N -0.432 119.547 119.950 0.048 0.000 2.102 289 F HA -0.199 4.320 4.527 -0.014 0.000 0.298 289 F C 1.656 177.410 175.800 -0.076 0.000 1.105 289 F CA 1.617 59.602 58.000 -0.024 0.000 1.239 289 F CB -0.450 38.524 39.000 -0.043 0.000 0.991 289 F HN 0.074 nan 8.300 nan 0.000 0.474 290 W N 0.355 121.767 121.300 0.187 0.000 2.425 290 W HA -0.101 4.549 4.660 -0.016 0.000 0.277 290 W C 2.696 179.283 176.519 0.114 0.000 1.231 290 W CA 1.280 58.708 57.345 0.138 0.000 1.248 290 W CB -0.627 29.013 29.460 0.300 0.000 1.117 290 W HN -0.101 nan 8.180 nan 0.000 0.568 291 S N -0.423 115.451 115.700 0.291 0.000 2.368 291 S HA -0.177 4.284 4.470 -0.015 0.000 0.224 291 S C 1.706 176.348 174.600 0.070 0.000 1.029 291 S CA 1.872 60.186 58.200 0.190 0.000 0.988 291 S CB -0.845 62.454 63.200 0.164 0.000 0.838 291 S HN 0.232 nan 8.310 nan 0.000 0.462 292 T N 2.790 117.345 114.554 0.001 0.000 2.720 292 T HA -0.003 4.338 4.350 -0.015 0.000 0.268 292 T C 1.742 176.389 174.700 -0.089 0.000 1.037 292 T CA 1.115 63.181 62.100 -0.057 0.000 1.144 292 T CB -0.441 68.372 68.868 -0.091 0.000 0.864 292 T HN 0.303 nan 8.240 nan 0.000 0.444 293 I N 0.556 121.021 120.570 -0.174 0.000 2.179 293 I HA -0.212 3.949 4.170 -0.015 0.000 0.242 293 I C 2.746 178.878 176.117 0.025 0.000 1.088 293 I CA 0.908 62.159 61.300 -0.082 0.000 1.357 293 I CB -0.459 37.422 38.000 -0.199 0.000 1.051 293 I HN 0.332 nan 8.210 nan 0.000 0.409 294 C N 0.443 119.748 119.300 0.009 0.000 2.432 294 C HA -0.174 4.277 4.460 -0.015 0.000 0.277 294 C C 2.772 177.736 174.990 -0.043 0.000 1.249 294 C CA 1.049 60.027 59.018 -0.066 0.000 1.725 294 C CB -0.916 26.761 27.740 -0.106 0.000 2.028 294 C HN 0.482 nan 8.230 nan 0.000 0.477 295 E N 0.241 120.428 120.200 -0.022 0.000 2.051 295 E HA -0.188 4.153 4.350 -0.015 0.000 0.192 295 E C 2.248 178.813 176.600 -0.059 0.000 0.991 295 E CA 1.001 57.384 56.400 -0.028 0.000 0.799 295 E CB -0.051 29.636 29.700 -0.021 0.000 0.748 295 E HN 0.527 nan 8.360 nan 0.000 0.449 296 E N 0.562 120.712 120.200 -0.082 0.000 2.038 296 E HA -0.231 4.109 4.350 -0.015 0.000 0.195 296 E C 1.988 178.458 176.600 -0.216 0.000 1.000 296 E CA 1.300 57.602 56.400 -0.163 0.000 0.803 296 E CB -0.131 29.452 29.700 -0.195 0.000 0.750 296 E HN 0.379 nan 8.360 nan 0.000 0.448 297 E N 0.186 120.288 120.200 -0.165 0.000 2.150 297 E HA -0.098 4.243 4.350 -0.015 0.000 0.193 297 E C 2.262 178.807 176.600 -0.092 0.000 0.985 297 E CA 0.365 56.667 56.400 -0.164 0.000 0.814 297 E CB -0.069 29.588 29.700 -0.072 0.000 0.752 297 E HN 0.229 nan 8.360 nan 0.000 0.466 298 I N 1.504 122.050 120.570 -0.040 0.000 2.179 298 I HA -0.285 3.876 4.170 -0.015 0.000 0.242 298 I C 1.802 177.993 176.117 0.123 0.000 1.088 298 I CA 1.131 62.462 61.300 0.050 0.000 1.357 298 I CB -0.129 37.910 38.000 0.064 0.000 1.051 298 I HN 0.040 nan 8.210 nan 0.000 0.409 299 D N 0.738 121.151 120.400 0.022 0.000 2.117 299 D HA -0.116 4.515 4.640 -0.015 0.000 0.198 299 D C 2.251 178.555 176.300 0.007 0.000 0.982 299 D CA 1.257 55.263 54.000 0.011 0.000 0.828 299 D CB -0.175 40.583 40.800 -0.072 0.000 0.967 299 D HN 0.321 nan 8.370 nan 0.000 0.464 300 I N 1.094 121.606 120.570 -0.096 0.000 2.226 300 I HA -0.269 3.892 4.170 -0.015 0.000 0.245 300 I C 2.410 178.491 176.117 -0.059 0.000 1.100 300 I CA 1.030 62.252 61.300 -0.131 0.000 1.374 300 I CB -0.158 37.679 38.000 -0.271 0.000 1.057 300 I HN -0.069 nan 8.210 nan 0.000 0.413 301 A N -0.049 122.746 122.820 -0.043 0.000 1.933 301 A HA -0.234 4.076 4.320 -0.015 0.000 0.218 301 A C 2.141 179.685 177.584 -0.067 0.000 1.175 301 A CA 1.456 53.453 52.037 -0.068 0.000 0.628 301 A CB -0.910 18.031 19.000 -0.098 0.000 0.814 301 A HN 0.390 nan 8.150 nan 0.000 0.444 302 Y N -0.342 119.929 120.300 -0.047 0.000 2.163 302 Y HA -0.176 4.364 4.550 -0.018 0.000 0.288 302 Y C 2.523 178.421 175.900 -0.003 0.000 1.136 302 Y CA 1.892 59.975 58.100 -0.027 0.000 1.147 302 Y CB -0.210 38.233 38.460 -0.027 0.000 0.987 302 Y HN 0.525 nan 8.280 nan 0.000 0.509 303 E N 0.305 120.606 120.200 0.167 0.000 2.051 303 E HA -0.214 4.127 4.350 -0.015 0.000 0.192 303 E C 2.014 178.705 176.600 0.152 0.000 0.991 303 E CA 1.327 57.821 56.400 0.156 0.000 0.799 303 E CB -0.342 29.402 29.700 0.073 0.000 0.748 303 E HN 0.446 nan 8.360 nan 0.000 0.449 304 L N 0.218 121.476 121.223 0.058 0.000 2.201 304 L HA -0.120 4.210 4.340 -0.015 0.000 0.212 304 L C 2.552 179.430 176.870 0.013 0.000 1.105 304 L CA 0.788 55.648 54.840 0.033 0.000 0.775 304 L CB -0.383 41.660 42.059 -0.026 0.000 0.913 304 L HN 0.259 nan 8.230 nan 0.000 0.440 305 A N -0.713 122.094 122.820 -0.021 0.000 1.929 305 A HA -0.227 4.084 4.320 -0.015 0.000 0.216 305 A C 2.199 179.741 177.584 -0.069 0.000 1.176 305 A CA 1.267 53.266 52.037 -0.063 0.000 0.628 305 A CB -0.300 18.629 19.000 -0.117 0.000 0.816 305 A HN 0.405 nan 8.150 nan 0.000 0.444 306 Q N -2.216 117.553 119.800 -0.050 0.000 2.331 306 Q HA 0.094 4.425 4.340 -0.015 0.000 0.203 306 Q C -0.802 174.920 176.000 -0.464 0.000 0.944 306 Q CA 0.537 56.215 55.803 -0.208 0.000 0.892 306 Q CB 0.169 28.825 28.738 -0.136 0.000 0.983 306 Q HN 0.609 nan 8.270 nan 0.000 0.482 307 F N -0.527 119.408 119.950 -0.024 0.000 2.686 307 F HA 0.311 4.836 4.527 -0.004 0.000 0.365 307 F C -2.025 173.754 175.800 -0.035 0.000 1.196 307 F CA -2.044 55.940 58.000 -0.027 0.000 1.198 307 F CB 1.662 40.645 39.000 -0.027 0.000 1.454 307 F HN -0.010 nan 8.300 nan 0.000 0.539 308 P HA -0.117 nan 4.420 nan 0.000 0.223 308 P C 1.154 178.477 177.300 0.038 0.000 1.151 308 P CA 1.074 64.192 63.100 0.030 0.000 0.787 308 P CB 0.322 32.017 31.700 -0.007 0.000 0.788 309 Q N -0.618 119.221 119.800 0.064 0.000 2.365 309 Q HA 0.096 4.427 4.340 -0.015 0.000 0.203 309 Q C 0.602 176.625 176.000 0.039 0.000 0.929 309 Q CA 0.113 55.943 55.803 0.045 0.000 0.948 309 Q CB -0.551 28.215 28.738 0.046 0.000 1.043 309 Q HN 0.149 nan 8.270 nan 0.000 0.505 310 S N 2.977 118.710 115.700 0.055 0.000 2.558 310 S HA 0.022 4.483 4.470 -0.015 0.000 0.293 310 S C -1.181 173.403 174.600 -0.026 0.000 1.292 310 S CA -0.948 57.254 58.200 0.004 0.000 1.063 310 S CB 0.685 63.885 63.200 -0.000 0.000 0.831 310 S HN 0.098 nan 8.310 nan 0.000 0.499 311 P HA 0.025 nan 4.420 nan 0.000 0.230 311 P C 0.350 177.609 177.300 -0.069 0.000 1.158 311 P CA 0.034 63.106 63.100 -0.047 0.000 0.769 311 P CB -0.092 31.581 31.700 -0.045 0.000 0.807 312 L N 0.603 121.775 121.223 -0.084 0.000 2.416 312 L HA 0.266 4.597 4.340 -0.015 0.000 0.272 312 L C -0.063 176.726 176.870 -0.135 0.000 1.161 312 L CA 0.312 55.084 54.840 -0.113 0.000 0.845 312 L CB -0.050 41.939 42.059 -0.117 0.000 1.119 312 L HN -0.185 nan 8.230 nan 0.000 0.464 313 Q N 2.490 122.168 119.800 -0.204 0.000 2.337 313 Q HA 0.433 4.764 4.340 -0.015 0.000 0.270 313 Q C -0.895 174.876 176.000 -0.381 0.000 1.043 313 Q CA -0.159 55.489 55.803 -0.258 0.000 0.794 313 Q CB 1.943 30.525 28.738 -0.259 0.000 1.281 313 Q HN 0.767 nan 8.270 nan 0.000 0.446 314 S N 2.549 118.082 115.700 -0.279 0.000 2.564 314 S HA 0.197 4.658 4.470 -0.015 0.000 0.278 314 S C -0.244 174.165 174.600 -0.317 0.000 1.333 314 S CA -0.008 58.040 58.200 -0.254 0.000 1.048 314 S CB 0.320 63.421 63.200 -0.166 0.000 0.900 314 S HN 0.640 nan 8.310 nan 0.000 0.505 315 Y N 2.520 122.714 120.300 -0.178 0.000 2.457 315 Y HA 0.316 4.858 4.550 -0.014 0.000 0.263 315 Y C 1.097 176.721 175.900 -0.460 0.000 1.164 315 Y CA -0.623 57.195 58.100 -0.469 0.000 1.274 315 Y CB -0.498 37.325 38.460 -1.062 0.000 1.097 315 Y HN 0.664 nan 8.280 nan 0.000 0.523 316 N N 0.242 118.848 118.700 -0.157 0.000 2.714 316 N HA -0.241 4.489 4.740 -0.015 0.000 0.252 316 N C 0.358 175.910 175.510 0.069 0.000 1.014 316 N CA 0.833 53.853 53.050 -0.050 0.000 0.735 316 N CB -1.554 36.912 38.487 -0.034 0.000 0.924 316 N HN 0.275 nan 8.380 nan 0.000 0.540 317 F N 0.389 120.492 119.950 0.255 0.000 2.102 317 F HA -0.130 4.388 4.527 -0.014 0.000 0.298 317 F C 2.509 178.554 175.800 0.410 0.000 1.105 317 F CA 1.397 59.597 58.000 0.333 0.000 1.239 317 F CB -0.758 38.445 39.000 0.339 0.000 0.991 317 F HN 0.363 nan 8.300 nan 0.000 0.474 318 A N 0.131 123.232 122.820 0.468 0.000 1.858 318 A HA -0.160 4.151 4.320 -0.015 0.000 0.216 318 A C 2.267 179.959 177.584 0.179 0.000 1.190 318 A CA 1.532 53.702 52.037 0.222 0.000 0.617 318 A CB -1.271 17.550 19.000 -0.298 0.000 0.827 318 A HN 0.370 nan 8.150 nan 0.000 0.443 319 L N -0.020 121.254 121.223 0.084 0.000 2.021 319 L HA -0.240 4.090 4.340 -0.015 0.000 0.215 319 L C 2.659 179.582 176.870 0.088 0.000 1.074 319 L CA 2.231 57.092 54.840 0.034 0.000 0.760 319 L CB -0.180 41.843 42.059 -0.061 0.000 0.889 319 L HN 0.360 nan 8.230 nan 0.000 0.433 320 S N -1.391 114.398 115.700 0.148 0.000 2.447 320 S HA -0.105 4.356 4.470 -0.015 0.000 0.233 320 S C 1.819 176.539 174.600 0.201 0.000 1.006 320 S CA 1.210 59.499 58.200 0.148 0.000 0.957 320 S CB -0.078 63.221 63.200 0.165 0.000 0.773 320 S HN 0.479 nan 8.310 nan 0.000 0.507 321 S N 1.178 117.053 115.700 0.292 0.000 2.558 321 S HA 0.250 4.711 4.470 -0.015 0.000 0.217 321 S C 1.561 176.229 174.600 0.113 0.000 0.975 321 S CA -0.071 58.296 58.200 0.278 0.000 0.912 321 S CB -0.225 63.055 63.200 0.133 0.000 0.776 321 S HN 0.410 nan 8.310 nan 0.000 0.526 322 I N 2.047 122.703 120.570 0.143 0.000 2.113 322 I HA -0.350 3.811 4.170 -0.015 0.000 0.242 322 I C 2.385 178.495 176.117 -0.012 0.000 1.064 322 I CA 1.402 62.741 61.300 0.065 0.000 1.320 322 I CB -0.352 37.719 38.000 0.119 0.000 1.028 322 I HN 0.251 nan 8.210 nan 0.000 0.406 323 K N 0.281 120.701 120.400 0.034 0.000 2.097 323 K HA -0.276 4.035 4.320 -0.015 0.000 0.214 323 K C 1.650 178.240 176.600 -0.018 0.000 1.052 323 K CA 2.289 58.589 56.287 0.021 0.000 0.932 323 K CB -0.162 32.371 32.500 0.055 0.000 0.716 323 K HN 0.425 nan 8.250 nan 0.000 0.455 324 D N -0.950 119.436 120.400 -0.024 0.000 2.369 324 D HA -0.015 4.616 4.640 -0.015 0.000 0.231 324 D C 2.009 178.180 176.300 -0.215 0.000 0.967 324 D CA 0.642 54.597 54.000 -0.075 0.000 0.905 324 D CB 0.041 40.837 40.800 -0.006 0.000 1.044 324 D HN -0.063 nan 8.370 nan 0.000 0.487 325 V N 1.157 120.867 119.914 -0.340 0.000 2.323 325 V HA -0.144 3.967 4.120 -0.015 0.000 0.244 325 V C 2.650 178.433 176.094 -0.517 0.000 1.041 325 V CA 0.913 62.883 62.300 -0.551 0.000 1.025 325 V CB -0.231 31.069 31.823 -0.871 0.000 0.656 325 V HN 0.005 nan 8.190 nan 0.000 0.451 326 V N 0.450 120.074 119.914 -0.482 0.000 2.295 326 V HA -0.142 3.969 4.120 -0.015 0.000 0.246 326 V C 0.080 175.972 176.094 -0.337 0.000 1.049 326 V CA 2.483 64.509 62.300 -0.457 0.000 1.024 326 V CB -1.798 29.817 31.823 -0.347 0.000 0.648 326 V HN 0.504 nan 8.190 nan 0.000 0.447 327 P HA -0.101 nan 4.420 nan 0.000 0.216 327 P C 1.216 178.387 177.300 -0.214 0.000 1.150 327 P CA 1.323 64.307 63.100 -0.193 0.000 0.837 327 P CB -0.128 31.511 31.700 -0.101 0.000 0.786 328 N N -0.887 117.681 118.700 -0.220 0.000 2.188 328 N HA -0.056 4.675 4.740 -0.015 0.000 0.184 328 N C 1.775 177.150 175.510 -0.224 0.000 1.018 328 N CA 0.903 53.836 53.050 -0.195 0.000 0.858 328 N CB -0.931 37.443 38.487 -0.187 0.000 0.989 328 N HN 0.178 nan 8.380 nan 0.000 0.426 329 L N 0.592 121.642 121.223 -0.289 0.000 2.017 329 L HA -0.126 4.205 4.340 -0.015 0.000 0.208 329 L C 2.167 178.850 176.870 -0.312 0.000 1.073 329 L CA 0.911 55.583 54.840 -0.281 0.000 0.745 329 L CB -0.531 41.325 42.059 -0.339 0.000 0.894 329 L HN 0.114 nan 8.230 nan 0.000 0.432 330 L N -0.130 120.832 121.223 -0.434 0.000 2.012 330 L HA -0.275 4.056 4.340 -0.015 0.000 0.210 330 L C 2.347 178.904 176.870 -0.523 0.000 1.073 330 L CA 1.788 56.202 54.840 -0.710 0.000 0.748 330 L CB -0.720 40.622 42.059 -1.195 0.000 0.891 330 L HN 0.388 nan 8.230 nan 0.000 0.431 331 N N 0.391 118.915 118.700 -0.294 0.000 2.149 331 N HA -0.190 4.541 4.740 -0.015 0.000 0.188 331 N C 1.784 177.231 175.510 -0.104 0.000 1.019 331 N CA 1.212 54.200 53.050 -0.103 0.000 0.857 331 N CB -0.192 38.256 38.487 -0.065 0.000 0.997 331 N HN 0.253 nan 8.380 nan 0.000 0.426 332 L N 0.053 121.191 121.223 -0.141 0.000 2.353 332 L HA -0.080 4.251 4.340 -0.015 0.000 0.220 332 L C 1.867 178.660 176.870 -0.127 0.000 1.133 332 L CA 0.460 55.226 54.840 -0.123 0.000 0.798 332 L CB -0.359 41.626 42.059 -0.123 0.000 0.922 332 L HN 0.314 nan 8.230 nan 0.000 0.445 333 L N -0.293 120.845 121.223 -0.142 0.000 2.275 333 L HA -0.137 4.194 4.340 -0.015 0.000 0.215 333 L C 2.253 179.069 176.870 -0.090 0.000 1.119 333 L CA 1.458 56.227 54.840 -0.119 0.000 0.790 333 L CB -0.695 41.299 42.059 -0.108 0.000 0.919 333 L HN 0.406 nan 8.230 nan 0.000 0.443 334 T N -3.473 111.034 114.554 -0.079 0.000 3.324 334 T HA 0.065 4.406 4.350 -0.015 0.000 0.250 334 T C 1.074 175.683 174.700 -0.152 0.000 1.059 334 T CA -0.249 61.777 62.100 -0.123 0.000 0.951 334 T CB -0.246 68.557 68.868 -0.108 0.000 1.030 334 T HN 0.252 nan 8.240 nan 0.000 0.576 335 R N 1.273 121.700 120.500 -0.122 0.000 3.039 335 R HA 0.263 4.594 4.340 -0.015 0.000 0.336 335 R C -0.377 175.868 176.300 -0.092 0.000 1.258 335 R CA -0.360 55.676 56.100 -0.106 0.000 1.125 335 R CB 0.199 30.445 30.300 -0.090 0.000 1.427 335 R HN 0.464 nan 8.270 nan 0.000 0.588 336 Q N 0.708 120.456 119.800 -0.086 0.000 2.454 336 Q HA 0.049 4.380 4.340 -0.015 0.000 0.247 336 Q C 0.145 176.161 176.000 0.026 0.000 1.028 336 Q CA -0.021 55.763 55.803 -0.031 0.000 0.910 336 Q CB 0.440 29.212 28.738 0.057 0.000 1.276 336 Q HN 0.031 nan 8.270 nan 0.000 0.489 337 N N 1.570 120.280 118.700 0.017 0.000 2.470 337 N HA -0.053 4.678 4.740 -0.015 0.000 0.268 337 N C 0.321 175.888 175.510 0.095 0.000 1.136 337 N CA 0.154 53.226 53.050 0.037 0.000 0.961 337 N CB 0.752 39.238 38.487 -0.000 0.000 1.067 337 N HN 0.545 nan 8.380 nan 0.000 0.468 338 E N 1.219 121.493 120.200 0.123 0.000 2.070 338 E HA -0.213 4.128 4.350 -0.015 0.000 0.197 338 E C -0.248 176.348 176.600 -0.006 0.000 1.004 338 E CA 1.252 57.721 56.400 0.115 0.000 0.805 338 E CB -0.062 29.701 29.700 0.105 0.000 0.744 338 E HN 0.622 nan 8.360 nan 0.000 0.451 339 D N 0.810 121.211 120.400 0.001 0.000 2.338 339 D HA -0.003 4.628 4.640 -0.015 0.000 0.255 339 D C -1.574 174.703 176.300 -0.038 0.000 1.237 339 D CA -1.914 52.077 54.000 -0.014 0.000 0.883 339 D CB 1.099 41.908 40.800 0.015 0.000 1.087 339 D HN -0.087 nan 8.370 nan 0.000 0.485 340 P HA -0.122 nan 4.420 nan 0.000 0.225 340 P C 0.759 178.034 177.300 -0.042 0.000 1.148 340 P CA 0.734 63.743 63.100 -0.152 0.000 0.779 340 P CB 0.439 31.981 31.700 -0.263 0.000 0.780 341 E N -0.439 119.809 120.200 0.081 0.000 2.479 341 E HA -0.012 4.329 4.350 -0.015 0.000 0.193 341 E C 0.299 176.993 176.600 0.156 0.000 1.049 341 E CA -0.236 56.296 56.400 0.219 0.000 0.870 341 E CB -0.014 29.813 29.700 0.211 0.000 0.944 341 E HN 0.031 nan 8.360 nan 0.000 0.492 342 D N 1.196 121.647 120.400 0.085 0.000 2.295 342 D HA -0.031 4.599 4.640 -0.015 0.000 0.248 342 D C -0.586 175.753 176.300 0.066 0.000 1.154 342 D CA -0.198 53.842 54.000 0.067 0.000 0.857 342 D CB 1.024 41.848 40.800 0.039 0.000 1.117 342 D HN 0.071 nan 8.370 nan 0.000 0.468 343 D N 2.070 122.523 120.400 0.088 0.000 2.643 343 D HA 0.113 4.744 4.640 -0.015 0.000 0.244 343 D C -0.434 175.925 176.300 0.097 0.000 1.257 343 D CA -0.503 53.551 54.000 0.092 0.000 0.831 343 D CB 0.075 40.952 40.800 0.128 0.000 1.043 343 D HN 0.103 nan 8.370 nan 0.000 0.488 344 D N 0.119 120.569 120.400 0.082 0.000 2.283 344 D HA 0.057 4.688 4.640 -0.015 0.000 0.248 344 D C -0.082 176.299 176.300 0.134 0.000 1.072 344 D CA -0.390 53.680 54.000 0.117 0.000 0.929 344 D CB 1.215 42.070 40.800 0.091 0.000 1.182 344 D HN 0.214 nan 8.370 nan 0.000 0.433 345 W N 2.836 124.137 121.300 0.001 0.000 2.210 345 W HA 0.032 4.683 4.660 -0.015 0.000 0.330 345 W C 0.009 176.523 176.519 -0.008 0.000 1.334 345 W CA 0.059 57.399 57.345 -0.007 0.000 1.227 345 W CB 0.469 29.926 29.460 -0.005 0.000 1.178 345 W HN 0.453 nan 8.180 nan 0.000 0.560 346 N N 2.305 120.818 118.700 -0.312 0.000 2.774 346 N HA 0.133 4.863 4.740 -0.015 0.000 0.264 346 N C -0.081 175.282 175.510 -0.244 0.000 1.415 346 N CA -0.829 52.120 53.050 -0.168 0.000 0.815 346 N CB 1.701 40.105 38.487 -0.138 0.000 1.514 346 N HN 0.240 nan 8.380 nan 0.000 0.523 347 V N 1.185 121.032 119.914 -0.111 0.000 2.380 347 V HA -0.282 3.829 4.120 -0.015 0.000 0.251 347 V C 2.501 178.504 176.094 -0.151 0.000 1.063 347 V CA 3.072 65.320 62.300 -0.085 0.000 1.055 347 V CB -0.963 30.825 31.823 -0.058 0.000 0.657 347 V HN 0.853 nan 8.190 nan 0.000 0.455 348 S N -0.696 114.883 115.700 -0.201 0.000 2.383 348 S HA -0.227 4.234 4.470 -0.015 0.000 0.227 348 S C 1.939 176.355 174.600 -0.306 0.000 1.026 348 S CA 1.970 60.040 58.200 -0.216 0.000 0.981 348 S CB -0.538 62.547 63.200 -0.191 0.000 0.818 348 S HN 0.607 nan 8.310 nan 0.000 0.472 349 M N 1.561 120.845 119.600 -0.526 0.000 2.200 349 M HA 0.013 4.483 4.480 -0.015 0.000 0.265 349 M C 2.511 178.545 176.300 -0.444 0.000 1.066 349 M CA 1.218 56.033 55.300 -0.808 0.000 1.127 349 M CB -0.493 31.061 32.600 -1.742 0.000 1.379 349 M HN 0.321 nan 8.290 nan 0.000 0.420 350 S N 0.705 116.290 115.700 -0.191 0.000 2.368 350 S HA -0.106 4.355 4.470 -0.015 0.000 0.225 350 S C 2.099 176.762 174.600 0.105 0.000 1.030 350 S CA 1.356 59.705 58.200 0.248 0.000 0.999 350 S CB -0.378 62.989 63.200 0.279 0.000 0.844 350 S HN 0.561 nan 8.310 nan 0.000 0.459 351 A N 1.478 124.285 122.820 -0.022 0.000 1.902 351 A HA 0.071 4.382 4.320 -0.015 0.000 0.217 351 A C 2.326 179.883 177.584 -0.044 0.000 1.181 351 A CA 1.740 53.746 52.037 -0.050 0.000 0.623 351 A CB -1.408 17.524 19.000 -0.114 0.000 0.818 351 A HN 0.516 nan 8.150 nan 0.000 0.443 352 G N -0.468 108.290 108.800 -0.069 0.000 2.421 352 G HA2 0.001 3.952 3.960 -0.015 0.000 0.216 352 G HA3 0.001 3.952 3.960 -0.015 0.000 0.216 352 G C 1.782 176.720 174.900 0.063 0.000 1.171 352 G CA 1.499 46.578 45.100 -0.036 0.000 0.775 352 G HN 0.815 nan 8.290 nan 0.000 0.543 353 A N -0.197 122.699 122.820 0.126 0.000 1.917 353 A HA -0.168 4.143 4.320 -0.015 0.000 0.219 353 A C 2.598 180.294 177.584 0.186 0.000 1.182 353 A CA 2.000 54.162 52.037 0.208 0.000 0.633 353 A CB -1.176 18.028 19.000 0.341 0.000 0.819 353 A HN 0.538 nan 8.150 nan 0.000 0.448 354 C N -1.428 117.979 119.300 0.178 0.000 2.475 354 C HA 0.075 4.526 4.460 -0.015 0.000 0.279 354 C C 2.439 177.583 174.990 0.257 0.000 1.322 354 C CA 0.961 60.119 59.018 0.233 0.000 1.734 354 C CB -1.377 26.498 27.740 0.224 0.000 2.005 354 C HN 0.570 nan 8.230 nan 0.000 0.495 355 L N 1.273 122.561 121.223 0.107 0.000 2.079 355 L HA -0.188 4.143 4.340 -0.015 0.000 0.210 355 L C 2.592 179.552 176.870 0.150 0.000 1.081 355 L CA 1.992 56.866 54.840 0.058 0.000 0.752 355 L CB -0.807 41.230 42.059 -0.036 0.000 0.896 355 L HN 0.459 nan 8.230 nan 0.000 0.433 356 Q N -1.120 118.769 119.800 0.150 0.000 2.079 356 Q HA -0.169 4.162 4.340 -0.015 0.000 0.200 356 Q C 2.307 178.400 176.000 0.155 0.000 0.974 356 Q CA 1.517 57.407 55.803 0.145 0.000 0.840 356 Q CB -0.220 28.608 28.738 0.149 0.000 0.898 356 Q HN 0.508 nan 8.270 nan 0.000 0.430 357 L N -0.423 120.908 121.223 0.179 0.000 2.046 357 L HA -0.186 4.145 4.340 -0.015 0.000 0.208 357 L C 2.196 179.148 176.870 0.137 0.000 1.077 357 L CA 1.161 56.088 54.840 0.144 0.000 0.747 357 L CB -0.404 41.739 42.059 0.140 0.000 0.896 357 L HN 0.164 nan 8.230 nan 0.000 0.432 358 F N -0.091 119.898 119.950 0.066 0.000 2.126 358 F HA -0.274 4.244 4.527 -0.014 0.000 0.299 358 F C 2.585 178.414 175.800 0.047 0.000 1.096 358 F CA 1.346 59.380 58.000 0.056 0.000 1.255 358 F CB -0.390 38.627 39.000 0.028 0.000 0.997 358 F HN 0.034 nan 8.300 nan 0.000 0.479 359 A N -0.484 122.464 122.820 0.213 0.000 1.902 359 A HA -0.243 4.068 4.320 -0.015 0.000 0.217 359 A C 2.052 179.690 177.584 0.089 0.000 1.181 359 A CA 1.742 53.853 52.037 0.123 0.000 0.623 359 A CB -0.752 18.296 19.000 0.079 0.000 0.818 359 A HN 0.466 nan 8.150 nan 0.000 0.443 360 Q N -0.858 118.992 119.800 0.083 0.000 2.079 360 Q HA -0.185 4.146 4.340 -0.015 0.000 0.200 360 Q C 2.154 178.183 176.000 0.048 0.000 0.974 360 Q CA 1.523 57.365 55.803 0.064 0.000 0.840 360 Q CB -0.247 28.533 28.738 0.070 0.000 0.898 360 Q HN 0.713 nan 8.270 nan 0.000 0.430 361 N N -0.170 118.544 118.700 0.025 0.000 2.142 361 N HA -0.108 4.623 4.740 -0.015 0.000 0.186 361 N C 0.971 176.484 175.510 0.005 0.000 1.023 361 N CA 1.333 54.374 53.050 -0.015 0.000 0.852 361 N CB -0.029 38.395 38.487 -0.104 0.000 0.998 361 N HN 0.212 nan 8.380 nan 0.000 0.424 362 C N -0.875 118.452 119.300 0.045 0.000 3.070 362 C HA 0.564 5.015 4.460 -0.015 0.000 0.280 362 C C 1.556 176.652 174.990 0.177 0.000 1.264 362 C CA -0.233 58.844 59.018 0.099 0.000 1.690 362 C CB -0.981 26.836 27.740 0.128 0.000 2.049 362 C HN 0.629 nan 8.230 nan 0.000 0.636 363 G N 2.578 111.447 108.800 0.116 0.000 2.672 363 G HA2 -0.405 3.546 3.960 -0.015 0.000 0.324 363 G HA3 -0.405 3.546 3.960 -0.015 0.000 0.324 363 G C 0.833 175.783 174.900 0.083 0.000 1.286 363 G CA 1.101 46.254 45.100 0.089 0.000 1.004 363 G HN 0.371 nan 8.290 nan 0.000 0.548 364 N N 0.460 119.181 118.700 0.035 0.000 2.348 364 N HA -0.056 4.674 4.740 -0.015 0.000 0.185 364 N C 1.743 177.223 175.510 -0.051 0.000 1.019 364 N CA 1.695 54.725 53.050 -0.033 0.000 0.880 364 N CB -0.527 37.899 38.487 -0.102 0.000 0.965 364 N HN 0.730 nan 8.380 nan 0.000 0.437 365 H N -0.518 118.573 119.070 0.035 0.000 2.491 365 H HA 0.043 4.589 4.556 -0.016 0.000 0.290 365 H C 1.661 177.015 175.328 0.043 0.000 1.050 365 H CA 0.488 56.561 56.048 0.041 0.000 1.309 365 H CB 0.078 29.872 29.762 0.053 0.000 1.392 365 H HN 0.095 nan 8.280 nan 0.000 0.554 366 I N 0.074 120.734 120.570 0.151 0.000 2.761 366 I HA -0.126 4.035 4.170 -0.015 0.000 0.261 366 I C 1.521 177.645 176.117 0.012 0.000 1.198 366 I CA 0.779 62.133 61.300 0.090 0.000 1.482 366 I CB -0.124 37.933 38.000 0.095 0.000 1.100 366 I HN 0.219 nan 8.210 nan 0.000 0.445 367 L N -0.124 121.090 121.223 -0.015 0.000 2.017 367 L HA -0.232 4.099 4.340 -0.015 0.000 0.208 367 L C 2.483 179.291 176.870 -0.103 0.000 1.073 367 L CA 1.791 56.574 54.840 -0.095 0.000 0.745 367 L CB -0.778 41.218 42.059 -0.104 0.000 0.894 367 L HN 0.306 nan 8.230 nan 0.000 0.432 368 E N 0.377 120.548 120.200 -0.047 0.000 2.023 368 E HA -0.215 4.126 4.350 -0.015 0.000 0.196 368 E C -0.564 176.028 176.600 -0.013 0.000 1.003 368 E CA 1.778 58.161 56.400 -0.027 0.000 0.809 368 E CB -0.716 28.989 29.700 0.009 0.000 0.755 368 E HN 0.306 nan 8.360 nan 0.000 0.449 369 P HA -0.104 nan 4.420 nan 0.000 0.217 369 P C 1.730 179.036 177.300 0.010 0.000 1.150 369 P CA 0.966 64.067 63.100 0.001 0.000 0.832 369 P CB -0.036 31.649 31.700 -0.024 0.000 0.787 370 V N 0.527 120.429 119.914 -0.020 0.000 2.261 370 V HA -0.214 3.896 4.120 -0.015 0.000 0.246 370 V C 2.771 178.917 176.094 0.086 0.000 1.047 370 V CA 1.684 63.985 62.300 0.002 0.000 1.015 370 V CB -1.285 30.512 31.823 -0.043 0.000 0.642 370 V HN 0.003 nan 8.190 nan 0.000 0.446 371 L N -0.494 120.732 121.223 0.005 0.000 2.275 371 L HA -0.132 4.199 4.340 -0.015 0.000 0.215 371 L C 2.490 179.393 176.870 0.055 0.000 1.119 371 L CA 1.211 56.057 54.840 0.011 0.000 0.790 371 L CB -0.590 41.360 42.059 -0.181 0.000 0.919 371 L HN 0.400 nan 8.230 nan 0.000 0.443 372 E N -0.190 120.046 120.200 0.060 0.000 2.077 372 E HA -0.243 4.098 4.350 -0.015 0.000 0.193 372 E C 2.022 178.675 176.600 0.088 0.000 0.989 372 E CA 1.341 57.780 56.400 0.065 0.000 0.800 372 E CB -0.109 29.628 29.700 0.062 0.000 0.746 372 E HN 0.419 nan 8.360 nan 0.000 0.452 373 F N 1.035 120.976 119.950 -0.015 0.000 2.146 373 F HA -0.184 4.334 4.527 -0.015 0.000 0.298 373 F C 2.112 177.913 175.800 0.002 0.000 1.096 373 F CA 0.931 58.923 58.000 -0.015 0.000 1.275 373 F CB -0.104 38.881 39.000 -0.026 0.000 1.008 373 F HN -0.215 nan 8.300 nan 0.000 0.480 374 V N 0.668 120.690 119.914 0.180 0.000 2.295 374 V HA -0.317 3.794 4.120 -0.015 0.000 0.246 374 V C 2.395 178.469 176.094 -0.033 0.000 1.049 374 V CA 2.307 64.665 62.300 0.096 0.000 1.024 374 V CB -0.798 31.157 31.823 0.221 0.000 0.648 374 V HN 0.454 nan 8.190 nan 0.000 0.447 375 E N -0.216 119.981 120.200 -0.005 0.000 2.118 375 E HA -0.329 4.012 4.350 -0.015 0.000 0.195 375 E C 2.196 178.748 176.600 -0.079 0.000 0.992 375 E CA 1.644 58.028 56.400 -0.026 0.000 0.804 375 E CB -0.015 29.692 29.700 0.011 0.000 0.741 375 E HN 0.602 nan 8.360 nan 0.000 0.458 376 Q N -0.037 119.684 119.800 -0.132 0.000 2.311 376 Q HA 0.004 4.335 4.340 -0.015 0.000 0.203 376 Q C 1.178 177.037 176.000 -0.235 0.000 0.954 376 Q CA 1.166 56.866 55.803 -0.172 0.000 0.885 376 Q CB 0.353 28.975 28.738 -0.194 0.000 0.963 376 Q HN 0.226 nan 8.270 nan 0.000 0.471 377 N N -1.106 117.404 118.700 -0.316 0.000 2.257 377 N HA 0.094 4.825 4.740 -0.015 0.000 0.200 377 N C 1.136 176.536 175.510 -0.185 0.000 1.163 377 N CA 0.067 52.918 53.050 -0.332 0.000 0.891 377 N CB 0.444 38.551 38.487 -0.634 0.000 1.067 377 N HN 0.223 nan 8.380 nan 0.000 0.497 378 I N 1.693 122.183 120.570 -0.134 0.000 2.454 378 I HA -0.178 3.983 4.170 -0.015 0.000 0.254 378 I C 1.186 177.266 176.117 -0.062 0.000 1.156 378 I CA 1.303 62.557 61.300 -0.077 0.000 1.433 378 I CB 0.193 38.151 38.000 -0.070 0.000 1.082 378 I HN 0.083 nan 8.210 nan 0.000 0.432 379 T N -1.929 112.584 114.554 -0.069 0.000 3.228 379 T HA 0.539 4.880 4.350 -0.015 0.000 0.278 379 T C 0.508 175.176 174.700 -0.053 0.000 1.014 379 T CA -0.094 61.975 62.100 -0.050 0.000 0.904 379 T CB -0.104 68.738 68.868 -0.043 0.000 1.110 379 T HN 0.198 nan 8.240 nan 0.000 0.541 380 A N 1.286 124.063 122.820 -0.073 0.000 2.448 380 A HA 0.350 4.661 4.320 -0.015 0.000 0.239 380 A C 1.171 178.729 177.584 -0.043 0.000 1.080 380 A CA -0.246 51.747 52.037 -0.074 0.000 0.779 380 A CB 0.152 19.086 19.000 -0.111 0.000 1.026 380 A HN 0.323 nan 8.150 nan 0.000 0.499 381 D N -0.143 120.234 120.400 -0.039 0.000 2.234 381 D HA -0.053 4.578 4.640 -0.015 0.000 0.205 381 D C 0.600 176.900 176.300 0.000 0.000 0.962 381 D CA 1.012 55.003 54.000 -0.014 0.000 0.855 381 D CB -0.209 40.581 40.800 -0.016 0.000 0.951 381 D HN 0.691 nan 8.370 nan 0.000 0.500 382 N N 1.212 119.887 118.700 -0.041 0.000 2.422 382 N HA -0.013 4.718 4.740 -0.015 0.000 0.264 382 N C 1.666 177.133 175.510 -0.070 0.000 1.063 382 N CA -0.641 52.362 53.050 -0.080 0.000 0.959 382 N CB 0.844 39.228 38.487 -0.173 0.000 1.087 382 N HN 0.099 nan 8.380 nan 0.000 0.483 383 W N 4.959 126.238 121.300 -0.034 0.000 2.325 383 W HA -0.228 4.423 4.660 -0.015 0.000 0.299 383 W C 0.850 177.350 176.519 -0.032 0.000 1.215 383 W CA 0.567 57.892 57.345 -0.035 0.000 1.244 383 W CB -0.564 28.874 29.460 -0.037 0.000 1.140 383 W HN 0.594 nan 8.180 nan 0.000 0.523 384 R N 0.811 120.740 120.500 -0.952 0.000 2.105 384 R HA -0.153 4.178 4.340 -0.015 0.000 0.239 384 R C 2.120 178.233 176.300 -0.311 0.000 1.135 384 R CA 1.948 57.539 56.100 -0.849 0.000 0.967 384 R CB -0.549 29.187 30.300 -0.941 0.000 0.861 384 R HN 0.351 nan 8.270 nan 0.000 0.442 385 N N 0.212 118.772 118.700 -0.233 0.000 2.300 385 N HA -0.074 4.657 4.740 -0.015 0.000 0.179 385 N C 1.704 177.163 175.510 -0.085 0.000 1.016 385 N CA 0.704 53.669 53.050 -0.143 0.000 0.876 385 N CB 0.032 38.415 38.487 -0.173 0.000 0.979 385 N HN 0.261 nan 8.380 nan 0.000 0.432 386 R N 1.116 121.594 120.500 -0.036 0.000 2.075 386 R HA -0.040 4.291 4.340 -0.015 0.000 0.232 386 R C 2.041 178.381 176.300 0.066 0.000 1.126 386 R CA 0.708 56.817 56.100 0.015 0.000 0.963 386 R CB -0.166 30.164 30.300 0.051 0.000 0.858 386 R HN 0.231 nan 8.270 nan 0.000 0.435 387 E N 1.169 121.435 120.200 0.110 0.000 2.077 387 E HA -0.145 4.196 4.350 -0.015 0.000 0.193 387 E C 1.822 178.487 176.600 0.108 0.000 0.989 387 E CA 1.337 57.817 56.400 0.132 0.000 0.800 387 E CB 0.020 29.849 29.700 0.215 0.000 0.746 387 E HN 0.279 nan 8.360 nan 0.000 0.452 388 A N 1.322 124.199 122.820 0.094 0.000 1.933 388 A HA -0.101 4.210 4.320 -0.015 0.000 0.218 388 A C 2.454 180.207 177.584 0.282 0.000 1.175 388 A CA 2.101 54.239 52.037 0.167 0.000 0.628 388 A CB -0.712 18.434 19.000 0.244 0.000 0.814 388 A HN 0.364 nan 8.150 nan 0.000 0.444 389 A N 0.000 122.948 122.820 0.214 0.000 1.859 389 A HA -0.109 4.202 4.320 -0.015 0.000 0.217 389 A C 2.307 180.031 177.584 0.233 0.000 1.198 389 A CA 2.724 54.881 52.037 0.201 0.000 0.629 389 A CB -1.351 17.666 19.000 0.029 0.000 0.830 389 A HN 1.015 nan 8.150 nan 0.000 0.446 390 V N -2.688 117.338 119.914 0.186 0.000 2.453 390 V HA -0.217 3.894 4.120 -0.015 0.000 0.247 390 V C 2.447 178.743 176.094 0.336 0.000 1.048 390 V CA 2.160 64.597 62.300 0.230 0.000 1.049 390 V CB -1.103 30.828 31.823 0.179 0.000 0.672 390 V HN 0.479 nan 8.190 nan 0.000 0.457 391 M N 2.198 121.961 119.600 0.271 0.000 2.108 391 M HA -0.015 4.456 4.480 -0.015 0.000 0.261 391 M C 2.138 178.605 176.300 0.279 0.000 1.066 391 M CA 2.232 57.691 55.300 0.266 0.000 1.107 391 M CB -0.853 31.776 32.600 0.048 0.000 1.356 391 M HN 0.352 nan 8.290 nan 0.000 0.406 392 A N -0.764 122.188 122.820 0.220 0.000 1.902 392 A HA -0.168 4.142 4.320 -0.015 0.000 0.217 392 A C 2.141 179.837 177.584 0.187 0.000 1.181 392 A CA 1.776 53.908 52.037 0.158 0.000 0.623 392 A CB -1.338 17.759 19.000 0.161 0.000 0.818 392 A HN 0.626 nan 8.150 nan 0.000 0.443 393 F N 0.918 120.949 119.950 0.135 0.000 2.146 393 F HA 0.002 4.521 4.527 -0.014 0.000 0.298 393 F C 2.357 178.206 175.800 0.081 0.000 1.096 393 F CA 1.529 59.584 58.000 0.091 0.000 1.275 393 F CB -0.513 38.532 39.000 0.074 0.000 1.008 393 F HN 0.224 nan 8.300 nan 0.000 0.480 394 G N -1.477 107.494 108.800 0.286 0.000 2.443 394 G HA2 -0.180 3.771 3.960 -0.015 0.000 0.219 394 G HA3 -0.180 3.771 3.960 -0.015 0.000 0.219 394 G C 1.701 176.636 174.900 0.058 0.000 1.131 394 G CA 0.875 46.012 45.100 0.062 0.000 0.775 394 G HN 0.383 nan 8.290 nan 0.000 0.547 395 S N 0.255 116.082 115.700 0.212 0.000 2.522 395 S HA 0.012 4.473 4.470 -0.015 0.000 0.227 395 S C 1.793 176.421 174.600 0.047 0.000 0.986 395 S CA 0.754 59.066 58.200 0.187 0.000 0.929 395 S CB -0.109 63.192 63.200 0.168 0.000 0.769 395 S HN 0.679 nan 8.310 nan 0.000 0.529 396 I N -3.245 117.287 120.570 -0.065 0.000 3.927 396 I HA 0.331 4.492 4.170 -0.015 0.000 0.332 396 I C 0.915 176.939 176.117 -0.156 0.000 1.485 396 I CA -0.096 61.140 61.300 -0.107 0.000 1.131 396 I CB 0.029 37.936 38.000 -0.155 0.000 1.092 396 I HN 0.022 nan 8.210 nan 0.000 0.410 397 M N 1.259 120.768 119.600 -0.151 0.000 2.682 397 M HA 0.195 4.666 4.480 -0.015 0.000 0.235 397 M C -0.252 176.008 176.300 -0.065 0.000 1.114 397 M CA 0.671 55.891 55.300 -0.134 0.000 1.053 397 M CB -1.334 31.182 32.600 -0.141 0.000 1.599 397 M HN 0.389 nan 8.290 nan 0.000 0.520 398 D N -0.882 119.497 120.400 -0.035 0.000 2.855 398 D HA 0.520 5.151 4.640 -0.015 0.000 0.241 398 D C 0.501 176.809 176.300 0.015 0.000 1.277 398 D CA 0.664 54.662 54.000 -0.003 0.000 0.918 398 D CB 1.225 42.033 40.800 0.012 0.000 1.462 398 D HN 0.256 nan 8.370 nan 0.000 0.559 399 G N 3.908 112.719 108.800 0.018 0.000 3.426 399 G HA2 -0.105 3.846 3.960 -0.015 0.000 0.196 399 G HA3 -0.105 3.846 3.960 -0.015 0.000 0.196 399 G C -2.235 172.680 174.900 0.025 0.000 1.763 399 G CA -0.291 44.827 45.100 0.030 0.000 1.210 399 G HN 0.566 nan 8.290 nan 0.000 0.472 400 P HA 0.392 nan 4.420 nan 0.000 0.272 400 P C -0.407 176.902 177.300 0.015 0.000 1.230 400 P CA 0.278 63.389 63.100 0.017 0.000 0.788 400 P CB 0.501 32.208 31.700 0.012 0.000 0.949 401 D N 0.040 120.449 120.400 0.015 0.000 2.369 401 D HA 0.028 4.659 4.640 -0.015 0.000 0.241 401 D C 1.008 177.317 176.300 0.015 0.000 1.271 401 D CA -0.199 53.807 54.000 0.010 0.000 0.942 401 D CB 0.542 41.343 40.800 0.001 0.000 1.129 401 D HN 0.222 nan 8.370 nan 0.000 0.476 402 K N -0.394 120.011 120.400 0.009 0.000 2.155 402 K HA -0.060 4.251 4.320 -0.015 0.000 0.203 402 K C 1.824 178.429 176.600 0.010 0.000 1.052 402 K CA 0.541 56.834 56.287 0.011 0.000 0.948 402 K CB -0.100 32.405 32.500 0.008 0.000 0.728 402 K HN 0.337 nan 8.250 nan 0.000 0.448 403 V N 1.501 121.415 119.914 0.001 0.000 2.295 403 V HA -0.273 3.838 4.120 -0.015 0.000 0.246 403 V C 2.401 178.498 176.094 0.006 0.000 1.049 403 V CA 1.663 63.956 62.300 -0.013 0.000 1.024 403 V CB -0.382 31.423 31.823 -0.030 0.000 0.648 403 V HN 0.414 nan 8.190 nan 0.000 0.447 404 Q N -0.290 119.532 119.800 0.038 0.000 2.079 404 Q HA -0.158 4.173 4.340 -0.015 0.000 0.200 404 Q C 2.399 178.529 176.000 0.216 0.000 0.974 404 Q CA 1.460 57.338 55.803 0.124 0.000 0.840 404 Q CB -0.382 28.457 28.738 0.167 0.000 0.898 404 Q HN 0.583 nan 8.270 nan 0.000 0.430 405 R N -0.054 120.526 120.500 0.133 0.000 2.073 405 R HA -0.085 4.246 4.340 -0.015 0.000 0.234 405 R C 2.426 178.796 176.300 0.117 0.000 1.134 405 R CA 1.720 57.890 56.100 0.116 0.000 0.952 405 R CB -0.343 29.981 30.300 0.039 0.000 0.850 405 R HN 0.224 nan 8.270 nan 0.000 0.433 406 T N 0.147 114.730 114.554 0.048 0.000 2.720 406 T HA -0.215 4.126 4.350 -0.015 0.000 0.268 406 T C 1.427 176.039 174.700 -0.146 0.000 1.037 406 T CA 1.519 63.601 62.100 -0.030 0.000 1.144 406 T CB -0.379 68.442 68.868 -0.080 0.000 0.864 406 T HN 0.337 nan 8.240 nan 0.000 0.444 407 Y N 0.466 120.628 120.300 -0.231 0.000 2.163 407 Y HA -0.143 4.398 4.550 -0.015 0.000 0.288 407 Y C 1.976 177.747 175.900 -0.214 0.000 1.136 407 Y CA 1.080 58.975 58.100 -0.341 0.000 1.147 407 Y CB -0.460 37.731 38.460 -0.448 0.000 0.987 407 Y HN 0.288 nan 8.280 nan 0.000 0.509 408 Y N -1.380 118.989 120.300 0.116 0.000 2.373 408 Y HA -0.160 4.381 4.550 -0.016 0.000 0.293 408 Y C 2.455 178.489 175.900 0.223 0.000 1.129 408 Y CA 1.014 59.206 58.100 0.152 0.000 1.226 408 Y CB -0.327 38.311 38.460 0.297 0.000 1.000 408 Y HN -0.038 nan 8.280 nan 0.000 0.549 409 V N -0.147 119.990 119.914 0.371 0.000 2.295 409 V HA -0.360 3.751 4.120 -0.015 0.000 0.246 409 V C 2.037 178.179 176.094 0.079 0.000 1.049 409 V CA 2.159 64.623 62.300 0.274 0.000 1.024 409 V CB -0.722 31.241 31.823 0.233 0.000 0.648 409 V HN 0.549 nan 8.190 nan 0.000 0.447 410 H N -0.628 118.380 119.070 -0.103 0.000 2.390 410 H HA -0.198 4.349 4.556 -0.015 0.000 0.298 410 H C 2.520 177.747 175.328 -0.167 0.000 1.106 410 H CA 1.660 57.638 56.048 -0.117 0.000 1.297 410 H CB 0.203 29.901 29.762 -0.106 0.000 1.375 410 H HN 0.518 nan 8.280 nan 0.000 0.509 411 Q N -0.157 119.582 119.800 -0.102 0.000 2.096 411 Q HA -0.020 4.311 4.340 -0.015 0.000 0.197 411 Q C 2.485 178.424 176.000 -0.100 0.000 0.964 411 Q CA 0.905 56.643 55.803 -0.108 0.000 0.838 411 Q CB 0.140 28.817 28.738 -0.102 0.000 0.906 411 Q HN 0.403 nan 8.270 nan 0.000 0.444 412 A N 0.448 123.177 122.820 -0.153 0.000 2.021 412 A HA -0.069 4.242 4.320 -0.015 0.000 0.216 412 A C 1.957 179.347 177.584 -0.323 0.000 1.163 412 A CA 0.336 52.184 52.037 -0.317 0.000 0.676 412 A CB -0.273 18.273 19.000 -0.757 0.000 0.818 412 A HN 0.256 nan 8.150 nan 0.000 0.453 413 L N 0.696 121.730 121.223 -0.314 0.000 2.012 413 L HA -0.054 4.277 4.340 -0.015 0.000 0.210 413 L C -0.798 175.928 176.870 -0.240 0.000 1.073 413 L CA 2.335 56.974 54.840 -0.334 0.000 0.748 413 L CB -1.312 40.435 42.059 -0.519 0.000 0.891 413 L HN 0.150 nan 8.230 nan 0.000 0.431 414 P HA -0.137 nan 4.420 nan 0.000 0.216 414 P C 1.747 178.991 177.300 -0.093 0.000 1.153 414 P CA 2.078 65.123 63.100 -0.091 0.000 0.858 414 P CB -0.136 31.540 31.700 -0.040 0.000 0.789 415 S N -0.817 114.816 115.700 -0.111 0.000 2.402 415 S HA -0.072 4.389 4.470 -0.015 0.000 0.229 415 S C 1.971 176.507 174.600 -0.107 0.000 1.021 415 S CA 0.935 59.076 58.200 -0.098 0.000 0.974 415 S CB -1.178 61.962 63.200 -0.101 0.000 0.800 415 S HN 0.119 nan 8.310 nan 0.000 0.484 416 I N 1.583 122.062 120.570 -0.153 0.000 2.252 416 I HA -0.150 4.011 4.170 -0.015 0.000 0.245 416 I C 2.136 178.202 176.117 -0.084 0.000 1.102 416 I CA 1.136 62.357 61.300 -0.132 0.000 1.385 416 I CB -0.411 37.475 38.000 -0.191 0.000 1.064 416 I HN 0.225 nan 8.210 nan 0.000 0.414 417 L N 0.489 121.657 121.223 -0.092 0.000 2.131 417 L HA -0.212 4.119 4.340 -0.015 0.000 0.210 417 L C 2.250 179.092 176.870 -0.047 0.000 1.092 417 L CA 1.446 56.246 54.840 -0.067 0.000 0.759 417 L CB -0.737 41.281 42.059 -0.070 0.000 0.903 417 L HN 0.354 nan 8.230 nan 0.000 0.435 418 N N 0.471 119.142 118.700 -0.047 0.000 2.309 418 N HA -0.146 4.585 4.740 -0.015 0.000 0.182 418 N C 1.762 177.256 175.510 -0.026 0.000 1.018 418 N CA 0.840 53.870 53.050 -0.034 0.000 0.876 418 N CB -0.084 38.383 38.487 -0.034 0.000 0.972 418 N HN 0.247 nan 8.380 nan 0.000 0.434 419 L N -0.234 120.973 121.223 -0.027 0.000 2.362 419 L HA -0.016 4.315 4.340 -0.015 0.000 0.219 419 L C 1.758 178.624 176.870 -0.007 0.000 1.134 419 L CA 0.294 55.127 54.840 -0.012 0.000 0.807 419 L CB -0.318 41.739 42.059 -0.004 0.000 0.927 419 L HN 0.321 nan 8.230 nan 0.000 0.447 420 M N -0.462 119.130 119.600 -0.013 0.000 2.446 420 M HA -0.120 4.351 4.480 -0.015 0.000 0.263 420 M C 1.158 177.450 176.300 -0.014 0.000 1.066 420 M CA 1.181 56.474 55.300 -0.012 0.000 1.087 420 M CB -0.853 31.737 32.600 -0.017 0.000 1.406 420 M HN 0.298 nan 8.290 nan 0.000 0.459 421 N N 0.509 119.200 118.700 -0.015 0.000 2.322 421 N HA 0.001 4.732 4.740 -0.015 0.000 0.194 421 N C 0.200 175.701 175.510 -0.015 0.000 1.126 421 N CA 0.102 53.143 53.050 -0.015 0.000 0.845 421 N CB 0.250 38.728 38.487 -0.015 0.000 0.976 421 N HN 0.395 nan 8.380 nan 0.000 0.475 422 D N 0.922 121.314 120.400 -0.014 0.000 2.400 422 D HA -0.021 4.610 4.640 -0.015 0.000 0.238 422 D C 1.036 177.319 176.300 -0.028 0.000 1.157 422 D CA 0.062 54.055 54.000 -0.012 0.000 0.889 422 D CB 1.316 42.116 40.800 -0.001 0.000 1.199 422 D HN 0.018 nan 8.370 nan 0.000 0.436 423 Q N 0.666 120.449 119.800 -0.028 0.000 2.124 423 Q HA -0.107 4.224 4.340 -0.015 0.000 0.202 423 Q C 0.753 176.692 176.000 -0.101 0.000 0.977 423 Q CA 0.644 56.416 55.803 -0.051 0.000 0.850 423 Q CB -0.243 28.472 28.738 -0.037 0.000 0.901 423 Q HN 0.301 nan 8.270 nan 0.000 0.429 424 S N 1.046 116.677 115.700 -0.116 0.000 2.455 424 S HA 0.064 4.525 4.470 -0.015 0.000 0.278 424 S C 1.177 175.642 174.600 -0.225 0.000 1.216 424 S CA -0.493 57.561 58.200 -0.244 0.000 1.055 424 S CB 0.495 63.560 63.200 -0.224 0.000 0.939 424 S HN 0.237 nan 8.310 nan 0.000 0.494 425 L N 5.868 126.916 121.223 -0.291 0.000 2.021 425 L HA -0.142 4.189 4.340 -0.015 0.000 0.215 425 L C 2.158 178.875 176.870 -0.254 0.000 1.074 425 L CA 2.125 56.798 54.840 -0.279 0.000 0.760 425 L CB -0.951 40.876 42.059 -0.387 0.000 0.889 425 L HN 0.781 nan 8.230 nan 0.000 0.433 426 Q N -1.316 118.302 119.800 -0.302 0.000 2.172 426 Q HA -0.056 4.275 4.340 -0.015 0.000 0.200 426 Q C 2.197 178.174 176.000 -0.039 0.000 0.964 426 Q CA 1.462 57.158 55.803 -0.178 0.000 0.855 426 Q CB -0.318 28.326 28.738 -0.157 0.000 0.918 426 Q HN 0.443 nan 8.270 nan 0.000 0.444 427 V N 0.798 120.708 119.914 -0.006 0.000 2.343 427 V HA -0.277 3.834 4.120 -0.015 0.000 0.247 427 V C 1.921 178.031 176.094 0.027 0.000 1.051 427 V CA 1.791 64.126 62.300 0.059 0.000 1.036 427 V CB -0.352 31.520 31.823 0.081 0.000 0.654 427 V HN 0.327 nan 8.190 nan 0.000 0.451 428 K N -0.056 120.335 120.400 -0.015 0.000 2.025 428 K HA -0.223 4.088 4.320 -0.015 0.000 0.207 428 K C 2.230 178.839 176.600 0.016 0.000 1.049 428 K CA 1.708 57.992 56.287 -0.005 0.000 0.933 428 K CB -0.206 32.277 32.500 -0.028 0.000 0.714 428 K HN 0.639 nan 8.250 nan 0.000 0.438 429 E N 0.655 120.846 120.200 -0.017 0.000 2.058 429 E HA -0.188 4.153 4.350 -0.015 0.000 0.194 429 E C 1.500 178.149 176.600 0.081 0.000 0.997 429 E CA 1.815 58.218 56.400 0.006 0.000 0.801 429 E CB -0.025 29.628 29.700 -0.077 0.000 0.746 429 E HN 0.116 nan 8.360 nan 0.000 0.450 430 T N 0.023 114.619 114.554 0.070 0.000 2.951 430 T HA -0.075 4.266 4.350 -0.015 0.000 0.268 430 T C 1.780 176.649 174.700 0.282 0.000 1.073 430 T CA 1.446 63.640 62.100 0.157 0.000 1.134 430 T CB -0.275 68.643 68.868 0.083 0.000 0.884 430 T HN 0.250 nan 8.240 nan 0.000 0.479 431 T N 1.978 116.633 114.554 0.168 0.000 2.737 431 T HA 0.031 4.372 4.350 -0.015 0.000 0.265 431 T C 2.459 177.237 174.700 0.130 0.000 1.038 431 T CA 1.071 63.251 62.100 0.134 0.000 1.144 431 T CB -0.487 68.419 68.868 0.064 0.000 0.866 431 T HN 0.419 nan 8.240 nan 0.000 0.434 432 A N 0.523 123.419 122.820 0.127 0.000 1.902 432 A HA -0.124 4.186 4.320 -0.015 0.000 0.217 432 A C 2.060 179.747 177.584 0.172 0.000 1.181 432 A CA 1.630 53.735 52.037 0.114 0.000 0.623 432 A CB -1.147 17.916 19.000 0.105 0.000 0.818 432 A HN 0.735 nan 8.150 nan 0.000 0.443 433 W N -0.232 121.098 121.300 0.050 0.000 2.355 433 W HA -0.230 4.421 4.660 -0.015 0.000 0.309 433 W C 2.455 179.011 176.519 0.061 0.000 1.206 433 W CA 1.644 59.027 57.345 0.062 0.000 1.284 433 W CB -0.717 28.775 29.460 0.053 0.000 1.145 433 W HN 0.366 nan 8.180 nan 0.000 0.502 434 C N 0.664 120.050 119.300 0.143 0.000 2.413 434 C HA -0.210 4.240 4.460 -0.015 0.000 0.276 434 C C 2.706 177.603 174.990 -0.154 0.000 1.248 434 C CA 1.777 60.731 59.018 -0.107 0.000 1.742 434 C CB -1.485 26.357 27.740 0.170 0.000 2.017 434 C HN 0.456 nan 8.230 nan 0.000 0.481 435 I N 1.072 121.605 120.570 -0.061 0.000 2.226 435 I HA -0.085 4.076 4.170 -0.015 0.000 0.245 435 I C 2.767 178.821 176.117 -0.105 0.000 1.100 435 I CA 1.688 62.948 61.300 -0.067 0.000 1.374 435 I CB -0.946 37.028 38.000 -0.044 0.000 1.057 435 I HN 0.522 nan 8.210 nan 0.000 0.413 436 G N 0.960 109.686 108.800 -0.123 0.000 2.469 436 G HA2 -0.250 3.701 3.960 -0.015 0.000 0.219 436 G HA3 -0.250 3.701 3.960 -0.015 0.000 0.219 436 G C 1.796 176.565 174.900 -0.218 0.000 1.150 436 G CA 0.556 45.573 45.100 -0.139 0.000 0.763 436 G HN 0.208 nan 8.290 nan 0.000 0.561 437 R N 0.072 120.338 120.500 -0.390 0.000 2.092 437 R HA 0.093 4.424 4.340 -0.015 0.000 0.231 437 R C 2.623 178.805 176.300 -0.195 0.000 1.119 437 R CA 0.672 56.542 56.100 -0.383 0.000 0.970 437 R CB -0.697 29.230 30.300 -0.621 0.000 0.864 437 R HN 0.457 nan 8.270 nan 0.000 0.440 438 I N 0.786 121.275 120.570 -0.136 0.000 2.179 438 I HA -0.239 3.922 4.170 -0.015 0.000 0.242 438 I C 2.573 178.661 176.117 -0.049 0.000 1.088 438 I CA 1.331 62.603 61.300 -0.048 0.000 1.357 438 I CB -0.468 37.532 38.000 0.000 0.000 1.051 438 I HN 0.082 nan 8.210 nan 0.000 0.409 439 A N 0.268 123.048 122.820 -0.067 0.000 1.902 439 A HA -0.293 4.018 4.320 -0.015 0.000 0.217 439 A C 2.011 179.565 177.584 -0.050 0.000 1.181 439 A CA 2.333 54.337 52.037 -0.056 0.000 0.623 439 A CB -0.643 18.319 19.000 -0.063 0.000 0.818 439 A HN 0.423 nan 8.150 nan 0.000 0.443 440 D N -0.875 119.487 120.400 -0.064 0.000 2.117 440 D HA -0.039 4.592 4.640 -0.015 0.000 0.198 440 D C 1.966 178.245 176.300 -0.035 0.000 0.982 440 D CA 1.702 55.673 54.000 -0.049 0.000 0.828 440 D CB 0.048 40.810 40.800 -0.063 0.000 0.967 440 D HN 0.331 nan 8.370 nan 0.000 0.464 441 S N -1.397 114.278 115.700 -0.041 0.000 2.497 441 S HA 0.126 4.587 4.470 -0.015 0.000 0.218 441 S C 0.597 175.191 174.600 -0.010 0.000 1.023 441 S CA 0.004 58.189 58.200 -0.024 0.000 0.913 441 S CB 1.461 64.641 63.200 -0.034 0.000 0.800 441 S HN 0.168 nan 8.310 nan 0.000 0.505 442 V N 0.635 120.544 119.914 -0.007 0.000 2.965 442 V HA 0.487 4.598 4.120 -0.015 0.000 0.403 442 V C 0.985 177.092 176.094 0.021 0.000 1.393 442 V CA -0.308 62.000 62.300 0.013 0.000 1.554 442 V CB -0.218 31.621 31.823 0.026 0.000 1.360 442 V HN 0.250 nan 8.190 nan 0.000 0.657 443 A N 0.666 123.492 122.820 0.009 0.000 1.978 443 A HA -0.148 4.163 4.320 -0.015 0.000 0.220 443 A C 1.888 179.490 177.584 0.029 0.000 1.170 443 A CA 2.076 54.117 52.037 0.006 0.000 0.636 443 A CB -0.137 18.857 19.000 -0.010 0.000 0.810 443 A HN 0.669 nan 8.150 nan 0.000 0.448 444 E N 0.523 120.747 120.200 0.041 0.000 2.409 444 E HA -0.087 4.254 4.350 -0.015 0.000 0.198 444 E C 1.941 178.606 176.600 0.108 0.000 1.024 444 E CA 0.967 57.404 56.400 0.062 0.000 0.861 444 E CB -0.275 29.456 29.700 0.053 0.000 0.788 444 E HN 0.769 nan 8.360 nan 0.000 0.521 445 S N 0.358 116.129 115.700 0.118 0.000 2.522 445 S HA -0.008 4.453 4.470 -0.015 0.000 0.227 445 S C 0.937 175.675 174.600 0.231 0.000 0.986 445 S CA 0.037 58.365 58.200 0.214 0.000 0.929 445 S CB -0.271 63.028 63.200 0.164 0.000 0.769 445 S HN 0.165 nan 8.310 nan 0.000 0.529 446 I N 3.240 123.883 120.570 0.122 0.000 2.241 446 I HA 0.193 4.354 4.170 -0.015 0.000 0.294 446 I C -0.078 176.097 176.117 0.096 0.000 1.145 446 I CA -0.587 60.771 61.300 0.095 0.000 1.261 446 I CB -0.111 37.904 38.000 0.025 0.000 1.475 446 I HN 0.103 nan 8.210 nan 0.000 0.533 447 D N 8.277 128.741 120.400 0.107 0.000 2.520 447 D HA -0.022 4.609 4.640 -0.015 0.000 0.243 447 D C -1.376 174.909 176.300 -0.026 0.000 1.160 447 D CA -0.933 53.053 54.000 -0.024 0.000 0.877 447 D CB 1.099 41.759 40.800 -0.234 0.000 1.150 447 D HN 0.211 nan 8.370 nan 0.000 0.494 448 P HA -0.201 nan 4.420 nan 0.000 0.217 448 P C 0.893 178.211 177.300 0.030 0.000 1.151 448 P CA 1.296 64.417 63.100 0.034 0.000 0.849 448 P CB 0.247 31.974 31.700 0.045 0.000 0.787 449 Q N -1.278 118.507 119.800 -0.025 0.000 2.178 449 Q HA 0.002 4.333 4.340 -0.015 0.000 0.195 449 Q C 2.307 178.255 176.000 -0.086 0.000 0.960 449 Q CA 1.428 57.212 55.803 -0.033 0.000 0.843 449 Q CB -0.507 28.204 28.738 -0.046 0.000 0.927 449 Q HN 0.230 nan 8.270 nan 0.000 0.487 450 Q N -1.619 118.051 119.800 -0.216 0.000 2.163 450 Q HA -0.033 4.298 4.340 -0.015 0.000 0.198 450 Q C 1.168 176.982 176.000 -0.310 0.000 0.954 450 Q CA 1.224 56.812 55.803 -0.358 0.000 0.851 450 Q CB 0.222 28.558 28.738 -0.670 0.000 0.928 450 Q HN 0.544 nan 8.270 nan 0.000 0.459 451 H N -1.846 117.168 119.070 -0.095 0.000 2.800 451 H HA 0.069 4.616 4.556 -0.015 0.000 0.257 451 H C 1.452 176.707 175.328 -0.121 0.000 0.967 451 H CA -0.249 55.733 56.048 -0.111 0.000 1.192 451 H CB 0.539 30.220 29.762 -0.134 0.000 1.441 451 H HN 0.016 nan 8.280 nan 0.000 0.461 452 L N 2.206 123.425 121.223 -0.008 0.000 2.042 452 L HA -0.044 4.287 4.340 -0.015 0.000 0.210 452 L C -1.026 175.642 176.870 -0.336 0.000 1.076 452 L CA 1.692 56.444 54.840 -0.146 0.000 0.749 452 L CB -0.711 41.286 42.059 -0.104 0.000 0.893 452 L HN 0.104 nan 8.230 nan 0.000 0.432 453 P HA -0.107 nan 4.420 nan 0.000 0.215 453 P C 1.616 178.824 177.300 -0.153 0.000 1.153 453 P CA 1.764 64.755 63.100 -0.182 0.000 0.853 453 P CB -0.360 31.397 31.700 0.094 0.000 0.788 454 G N -0.444 108.305 108.800 -0.086 0.000 2.408 454 G HA2 -0.198 3.753 3.960 -0.015 0.000 0.217 454 G HA3 -0.198 3.753 3.960 -0.015 0.000 0.217 454 G C 1.609 176.447 174.900 -0.102 0.000 1.150 454 G CA 0.592 45.654 45.100 -0.065 0.000 0.776 454 G HN 0.151 nan 8.290 nan 0.000 0.542 455 V N 0.532 120.364 119.914 -0.135 0.000 2.307 455 V HA -0.162 3.949 4.120 -0.015 0.000 0.245 455 V C 3.012 178.998 176.094 -0.179 0.000 1.045 455 V CA 1.442 63.655 62.300 -0.145 0.000 1.024 455 V CB -0.428 31.307 31.823 -0.145 0.000 0.651 455 V HN 0.238 nan 8.190 nan 0.000 0.449 456 V N -0.214 119.527 119.914 -0.290 0.000 2.287 456 V HA -0.363 3.747 4.120 -0.015 0.000 0.248 456 V C 2.455 178.452 176.094 -0.161 0.000 1.053 456 V CA 2.512 64.635 62.300 -0.295 0.000 1.027 456 V CB -0.690 30.784 31.823 -0.581 0.000 0.646 456 V HN 0.628 nan 8.190 nan 0.000 0.447 457 Q N -0.251 119.472 119.800 -0.128 0.000 2.096 457 Q HA -0.237 4.094 4.340 -0.015 0.000 0.204 457 Q C 2.273 178.238 176.000 -0.059 0.000 0.982 457 Q CA 2.048 57.813 55.803 -0.063 0.000 0.850 457 Q CB -0.296 28.418 28.738 -0.039 0.000 0.901 457 Q HN 0.639 nan 8.270 nan 0.000 0.422 458 A N 0.215 122.995 122.820 -0.068 0.000 1.883 458 A HA -0.242 4.069 4.320 -0.015 0.000 0.217 458 A C 2.374 179.928 177.584 -0.050 0.000 1.186 458 A CA 1.644 53.649 52.037 -0.053 0.000 0.624 458 A CB -1.173 17.794 19.000 -0.056 0.000 0.822 458 A HN 0.662 nan 8.150 nan 0.000 0.444 459 C N -0.818 118.443 119.300 -0.066 0.000 2.429 459 C HA -0.058 4.393 4.460 -0.015 0.000 0.277 459 C C 2.647 177.601 174.990 -0.059 0.000 1.262 459 C CA 0.991 59.972 59.018 -0.062 0.000 1.733 459 C CB -1.586 26.104 27.740 -0.083 0.000 2.010 459 C HN 0.623 nan 8.230 nan 0.000 0.483 460 L N 0.379 121.565 121.223 -0.061 0.000 2.046 460 L HA -0.145 4.186 4.340 -0.015 0.000 0.208 460 L C 2.564 179.409 176.870 -0.042 0.000 1.077 460 L CA 1.144 55.953 54.840 -0.053 0.000 0.747 460 L CB -0.591 41.443 42.059 -0.041 0.000 0.896 460 L HN 0.259 nan 8.230 nan 0.000 0.432 461 I N 0.336 120.886 120.570 -0.035 0.000 2.163 461 I HA -0.195 3.966 4.170 -0.015 0.000 0.243 461 I C 2.687 178.790 176.117 -0.023 0.000 1.085 461 I CA 1.774 63.058 61.300 -0.027 0.000 1.347 461 I CB -2.007 35.979 38.000 -0.023 0.000 1.044 461 I HN 0.231 nan 8.210 nan 0.000 0.408 462 G N 0.982 109.769 108.800 -0.023 0.000 2.446 462 G HA2 -0.215 3.736 3.960 -0.015 0.000 0.217 462 G HA3 -0.215 3.736 3.960 -0.015 0.000 0.217 462 G C 1.822 176.713 174.900 -0.015 0.000 1.168 462 G CA 0.446 45.539 45.100 -0.012 0.000 0.771 462 G HN 0.357 nan 8.290 nan 0.000 0.551 463 L N -0.133 121.070 121.223 -0.034 0.000 2.187 463 L HA -0.133 4.198 4.340 -0.015 0.000 0.213 463 L C 2.821 179.668 176.870 -0.038 0.000 1.100 463 L CA 1.076 55.889 54.840 -0.046 0.000 0.765 463 L CB -0.226 41.789 42.059 -0.073 0.000 0.904 463 L HN 0.332 nan 8.230 nan 0.000 0.437 464 Q N -1.263 118.518 119.800 -0.031 0.000 2.360 464 Q HA 0.026 4.357 4.340 -0.015 0.000 0.202 464 Q C 0.501 176.492 176.000 -0.015 0.000 0.915 464 Q CA -0.142 55.644 55.803 -0.027 0.000 0.943 464 Q CB 0.453 29.174 28.738 -0.028 0.000 1.064 464 Q HN 0.415 nan 8.270 nan 0.000 0.511 465 D N -0.413 119.985 120.400 -0.003 0.000 2.496 465 D HA -0.013 4.618 4.640 -0.015 0.000 0.283 465 D C -0.162 176.160 176.300 0.037 0.000 1.214 465 D CA -0.424 53.586 54.000 0.018 0.000 1.089 465 D CB 0.562 41.375 40.800 0.023 0.000 1.141 465 D HN 0.069 nan 8.370 nan 0.000 0.580 466 H N 0.653 119.701 119.070 -0.037 0.000 3.064 466 H HA -0.036 4.511 4.556 -0.015 0.000 0.329 466 H C -1.507 173.806 175.328 -0.025 0.000 1.020 466 H CA -0.522 55.501 56.048 -0.041 0.000 1.402 466 H CB 1.246 30.954 29.762 -0.089 0.000 1.379 466 H HN 0.152 nan 8.280 nan 0.000 0.594 467 P HA -0.191 nan 4.420 nan 0.000 0.217 467 P C 1.221 178.627 177.300 0.176 0.000 1.151 467 P CA 1.649 64.784 63.100 0.059 0.000 0.849 467 P CB 0.246 32.001 31.700 0.092 0.000 0.787 468 K N -0.488 120.063 120.400 0.251 0.000 2.097 468 K HA -0.072 4.239 4.320 -0.015 0.000 0.206 468 K C 2.041 178.683 176.600 0.070 0.000 1.049 468 K CA 1.104 57.422 56.287 0.051 0.000 0.933 468 K CB -0.478 31.863 32.500 -0.265 0.000 0.717 468 K HN 0.002 nan 8.250 nan 0.000 0.442 469 V N 0.887 120.849 119.914 0.080 0.000 2.453 469 V HA -0.204 3.907 4.120 -0.015 0.000 0.247 469 V C 2.259 178.394 176.094 0.068 0.000 1.048 469 V CA 1.869 64.203 62.300 0.057 0.000 1.049 469 V CB -0.462 31.383 31.823 0.037 0.000 0.672 469 V HN 0.337 nan 8.190 nan 0.000 0.457 470 A N -0.238 122.621 122.820 0.064 0.000 1.902 470 A HA -0.231 4.080 4.320 -0.015 0.000 0.217 470 A C 2.409 180.005 177.584 0.020 0.000 1.181 470 A CA 2.537 54.590 52.037 0.026 0.000 0.623 470 A CB -1.016 17.992 19.000 0.014 0.000 0.818 470 A HN 0.474 nan 8.150 nan 0.000 0.443 471 T N 0.785 115.383 114.554 0.073 0.000 2.684 471 T HA -0.151 4.190 4.350 -0.015 0.000 0.267 471 T C 1.840 176.628 174.700 0.146 0.000 1.036 471 T CA 1.656 63.808 62.100 0.087 0.000 1.148 471 T CB -0.439 68.570 68.868 0.234 0.000 0.863 471 T HN 0.507 nan 8.240 nan 0.000 0.436 472 N N 0.539 119.380 118.700 0.234 0.000 2.223 472 N HA -0.051 4.680 4.740 -0.015 0.000 0.185 472 N C 1.993 177.618 175.510 0.192 0.000 1.016 472 N CA 0.694 53.929 53.050 0.310 0.000 0.863 472 N CB -0.751 37.897 38.487 0.268 0.000 0.983 472 N HN 0.421 nan 8.380 nan 0.000 0.429 473 C N -0.082 119.266 119.300 0.079 0.000 2.446 473 C HA 0.023 4.474 4.460 -0.015 0.000 0.277 473 C C 2.906 177.869 174.990 -0.045 0.000 1.275 473 C CA 0.463 59.490 59.018 0.015 0.000 1.727 473 C CB -1.044 26.686 27.740 -0.015 0.000 2.010 473 C HN 0.405 nan 8.230 nan 0.000 0.486 474 S N -0.441 115.178 115.700 -0.134 0.000 2.370 474 S HA -0.224 4.237 4.470 -0.015 0.000 0.226 474 S C 1.474 175.928 174.600 -0.243 0.000 1.033 474 S CA 1.652 59.688 58.200 -0.273 0.000 1.011 474 S CB -0.368 62.553 63.200 -0.465 0.000 0.852 474 S HN 0.788 nan 8.310 nan 0.000 0.457 475 W N 1.297 122.615 121.300 0.031 0.000 2.388 475 W HA -0.079 4.572 4.660 -0.015 0.000 0.294 475 W C 2.735 179.253 176.519 -0.002 0.000 1.212 475 W CA 0.896 58.261 57.345 0.033 0.000 1.271 475 W CB -0.862 28.640 29.460 0.069 0.000 1.126 475 W HN 0.168 nan 8.180 nan 0.000 0.535 476 T N 0.936 115.597 114.554 0.179 0.000 2.821 476 T HA -0.162 4.179 4.350 -0.015 0.000 0.267 476 T C 1.666 176.367 174.700 0.002 0.000 1.046 476 T CA 1.343 63.482 62.100 0.065 0.000 1.139 476 T CB -0.331 68.557 68.868 0.032 0.000 0.871 476 T HN 0.046 nan 8.240 nan 0.000 0.454 477 I N 0.599 121.151 120.570 -0.029 0.000 2.179 477 I HA -0.142 4.019 4.170 -0.015 0.000 0.242 477 I C 2.172 178.247 176.117 -0.070 0.000 1.088 477 I CA 1.269 62.521 61.300 -0.080 0.000 1.357 477 I CB -0.362 37.567 38.000 -0.119 0.000 1.051 477 I HN 0.214 nan 8.210 nan 0.000 0.409 478 I N 0.875 121.433 120.570 -0.020 0.000 2.208 478 I HA -0.341 3.820 4.170 -0.015 0.000 0.245 478 I C 2.206 178.316 176.117 -0.011 0.000 1.097 478 I CA 1.399 62.707 61.300 0.014 0.000 1.363 478 I CB -0.542 37.543 38.000 0.142 0.000 1.051 478 I HN 0.329 nan 8.210 nan 0.000 0.413 479 N N 0.748 119.459 118.700 0.018 0.000 2.084 479 N HA -0.126 4.604 4.740 -0.015 0.000 0.190 479 N C 1.967 177.435 175.510 -0.071 0.000 1.030 479 N CA 1.146 54.186 53.050 -0.017 0.000 0.849 479 N CB -0.493 37.990 38.487 -0.006 0.000 1.012 479 N HN 0.297 nan 8.380 nan 0.000 0.423 480 L N 0.607 121.782 121.223 -0.079 0.000 1.990 480 L HA -0.191 4.140 4.340 -0.015 0.000 0.213 480 L C 2.091 178.877 176.870 -0.141 0.000 1.072 480 L CA 1.274 56.053 54.840 -0.102 0.000 0.755 480 L CB -0.382 41.612 42.059 -0.109 0.000 0.889 480 L HN 0.018 nan 8.230 nan 0.000 0.432 481 V N -0.592 119.215 119.914 -0.178 0.000 2.358 481 V HA -0.250 3.861 4.120 -0.015 0.000 0.246 481 V C 2.256 178.067 176.094 -0.470 0.000 1.047 481 V CA 1.649 63.792 62.300 -0.260 0.000 1.035 481 V CB -0.484 31.204 31.823 -0.225 0.000 0.658 481 V HN 0.453 nan 8.190 nan 0.000 0.452 482 E N -0.386 119.527 120.200 -0.477 0.000 2.153 482 E HA -0.215 4.126 4.350 -0.015 0.000 0.194 482 E C 2.347 178.796 176.600 -0.251 0.000 0.988 482 E CA 1.009 57.084 56.400 -0.542 0.000 0.811 482 E CB -0.027 29.549 29.700 -0.207 0.000 0.746 482 E HN 0.544 nan 8.360 nan 0.000 0.466 483 Q N -0.358 119.346 119.800 -0.159 0.000 2.250 483 Q HA 0.064 4.395 4.340 -0.015 0.000 0.200 483 Q C 2.113 178.076 176.000 -0.061 0.000 0.941 483 Q CA 0.633 56.392 55.803 -0.073 0.000 0.872 483 Q CB 0.344 29.052 28.738 -0.050 0.000 0.965 483 Q HN 0.329 nan 8.270 nan 0.000 0.480 484 L N -0.215 120.950 121.223 -0.097 0.000 2.513 484 L HA 0.200 4.531 4.340 -0.015 0.000 0.222 484 L C 2.050 178.874 176.870 -0.078 0.000 1.096 484 L CA 0.371 55.169 54.840 -0.071 0.000 0.857 484 L CB -0.229 41.784 42.059 -0.078 0.000 1.026 484 L HN 0.010 nan 8.230 nan 0.000 0.469 485 A N 1.164 123.915 122.820 -0.115 0.000 2.015 485 A HA -0.187 4.124 4.320 -0.015 0.000 0.219 485 A C 2.027 179.706 177.584 0.159 0.000 1.163 485 A CA 1.526 53.556 52.037 -0.012 0.000 0.646 485 A CB -0.283 18.772 19.000 0.091 0.000 0.806 485 A HN 0.617 nan 8.150 nan 0.000 0.448 486 E N 0.084 120.352 120.200 0.113 0.000 2.442 486 E HA 0.421 4.762 4.350 -0.015 0.000 0.195 486 E C 0.871 177.526 176.600 0.091 0.000 1.030 486 E CA 0.207 56.682 56.400 0.125 0.000 0.869 486 E CB -0.359 29.410 29.700 0.114 0.000 0.857 486 E HN 0.451 nan 8.360 nan 0.000 0.505 487 A N 1.459 124.322 122.820 0.071 0.000 2.520 487 A HA 0.087 4.398 4.320 -0.015 0.000 0.235 487 A C 1.125 178.757 177.584 0.079 0.000 1.065 487 A CA 0.355 52.430 52.037 0.063 0.000 0.764 487 A CB 0.335 19.364 19.000 0.050 0.000 1.002 487 A HN 0.226 nan 8.150 nan 0.000 0.502 488 T N 1.926 116.518 114.554 0.063 0.000 2.814 488 T HA 0.068 4.409 4.350 -0.015 0.000 0.254 488 T C -1.272 173.465 174.700 0.061 0.000 1.037 488 T CA 0.960 63.096 62.100 0.060 0.000 1.143 488 T CB -1.173 67.721 68.868 0.043 0.000 0.866 488 T HN 0.731 nan 8.240 nan 0.000 0.431 489 P HA 0.403 nan 4.420 nan 0.000 0.277 489 P C -1.053 176.294 177.300 0.079 0.000 1.354 489 P CA 0.118 63.253 63.100 0.058 0.000 0.891 489 P CB 0.687 32.413 31.700 0.043 0.000 1.058 490 S N 4.618 120.389 115.700 0.119 0.000 2.410 490 S HA 0.353 4.814 4.470 -0.015 0.000 0.304 490 S C -1.203 173.482 174.600 0.142 0.000 1.095 490 S CA -1.395 56.892 58.200 0.146 0.000 1.089 490 S CB 0.513 63.869 63.200 0.261 0.000 0.968 490 S HN 0.271 nan 8.310 nan 0.000 0.480 491 P HA 0.115 nan 4.420 nan 0.000 0.240 491 P C 1.189 178.588 177.300 0.164 0.000 1.190 491 P CA 0.019 63.191 63.100 0.119 0.000 0.781 491 P CB 0.123 31.891 31.700 0.114 0.000 0.931 492 I N -0.933 119.668 120.570 0.051 0.000 2.439 492 I HA -0.137 4.024 4.170 -0.015 0.000 0.251 492 I C 1.980 178.171 176.117 0.122 0.000 1.139 492 I CA 0.967 62.304 61.300 0.062 0.000 1.438 492 I CB -0.719 37.198 38.000 -0.138 0.000 1.085 492 I HN -0.197 nan 8.210 nan 0.000 0.427 493 Y N 0.018 120.415 120.300 0.162 0.000 2.403 493 Y HA -0.197 4.344 4.550 -0.016 0.000 0.291 493 Y C 2.213 178.138 175.900 0.043 0.000 1.143 493 Y CA 1.012 59.140 58.100 0.046 0.000 1.257 493 Y CB -0.711 37.679 38.460 -0.116 0.000 0.984 493 Y HN 0.231 nan 8.280 nan 0.000 0.550 494 N N -0.397 118.361 118.700 0.097 0.000 2.348 494 N HA -0.158 4.573 4.740 -0.015 0.000 0.185 494 N C 0.688 175.984 175.510 -0.356 0.000 1.019 494 N CA 1.387 54.320 53.050 -0.195 0.000 0.880 494 N CB -0.331 37.903 38.487 -0.421 0.000 0.965 494 N HN 0.293 nan 8.380 nan 0.000 0.437 495 F N -2.442 117.580 119.950 0.120 0.000 2.682 495 F HA 0.239 4.756 4.527 -0.015 0.000 0.308 495 F C 1.105 176.975 175.800 0.117 0.000 1.093 495 F CA -0.532 57.517 58.000 0.083 0.000 1.244 495 F CB 0.054 39.072 39.000 0.029 0.000 1.052 495 F HN -0.066 nan 8.300 nan 0.000 0.573 496 Y N 1.776 122.162 120.300 0.143 0.000 2.081 496 Y HA -0.198 4.343 4.550 -0.015 0.000 0.280 496 Y C -0.442 175.502 175.900 0.072 0.000 1.163 496 Y CA 1.994 60.161 58.100 0.111 0.000 1.135 496 Y CB -1.919 36.635 38.460 0.157 0.000 0.970 496 Y HN -0.027 nan 8.280 nan 0.000 0.498 497 P HA -0.195 nan 4.420 nan 0.000 0.215 497 P C 1.379 178.708 177.300 0.048 0.000 1.153 497 P CA 2.409 65.569 63.100 0.099 0.000 0.853 497 P CB -0.235 31.508 31.700 0.070 0.000 0.788 498 A N -0.683 122.179 122.820 0.070 0.000 1.877 498 A HA -0.152 4.159 4.320 -0.015 0.000 0.216 498 A C 2.246 179.832 177.584 0.003 0.000 1.186 498 A CA 1.446 53.514 52.037 0.053 0.000 0.620 498 A CB -1.640 17.434 19.000 0.122 0.000 0.822 498 A HN 0.101 nan 8.150 nan 0.000 0.443 499 L N -0.642 120.577 121.223 -0.006 0.000 2.027 499 L HA -0.146 4.185 4.340 -0.015 0.000 0.206 499 L C 2.543 179.327 176.870 -0.143 0.000 1.074 499 L CA 1.044 55.827 54.840 -0.094 0.000 0.745 499 L CB -0.584 41.385 42.059 -0.150 0.000 0.898 499 L HN 0.233 nan 8.230 nan 0.000 0.433 500 V N -0.052 119.775 119.914 -0.145 0.000 2.332 500 V HA -0.351 3.760 4.120 -0.015 0.000 0.248 500 V C 2.016 178.023 176.094 -0.146 0.000 1.055 500 V CA 2.217 64.429 62.300 -0.147 0.000 1.038 500 V CB -0.523 31.252 31.823 -0.080 0.000 0.651 500 V HN 0.442 nan 8.190 nan 0.000 0.450 501 D N 0.040 120.377 120.400 -0.106 0.000 2.123 501 D HA -0.119 4.512 4.640 -0.015 0.000 0.196 501 D C 2.201 178.414 176.300 -0.144 0.000 0.992 501 D CA 1.495 55.425 54.000 -0.117 0.000 0.833 501 D CB -0.408 40.350 40.800 -0.069 0.000 0.954 501 D HN 0.426 nan 8.370 nan 0.000 0.455 502 G N 0.038 108.765 108.800 -0.123 0.000 2.418 502 G HA2 -0.209 3.742 3.960 -0.015 0.000 0.217 502 G HA3 -0.209 3.742 3.960 -0.015 0.000 0.217 502 G C 1.593 176.390 174.900 -0.172 0.000 1.158 502 G CA 0.356 45.380 45.100 -0.127 0.000 0.771 502 G HN 0.238 nan 8.290 nan 0.000 0.545 503 L N -0.018 121.085 121.223 -0.200 0.000 2.056 503 L HA 0.008 4.339 4.340 -0.015 0.000 0.207 503 L C 2.871 179.535 176.870 -0.345 0.000 1.078 503 L CA 0.622 55.314 54.840 -0.247 0.000 0.749 503 L CB -0.358 41.558 42.059 -0.239 0.000 0.901 503 L HN 0.195 nan 8.230 nan 0.000 0.433 504 I N -0.068 120.254 120.570 -0.414 0.000 2.127 504 I HA -0.263 3.898 4.170 -0.015 0.000 0.241 504 I C 2.642 178.425 176.117 -0.557 0.000 1.075 504 I CA 1.625 62.498 61.300 -0.710 0.000 1.334 504 I CB -0.908 36.675 38.000 -0.695 0.000 1.040 504 I HN 0.297 nan 8.210 nan 0.000 0.405 505 G N 0.349 108.947 108.800 -0.336 0.000 2.469 505 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.219 505 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.219 505 G C 1.810 176.608 174.900 -0.171 0.000 1.150 505 G CA 0.933 45.904 45.100 -0.214 0.000 0.763 505 G HN 0.524 nan 8.290 nan 0.000 0.561 506 A N 0.946 123.656 122.820 -0.182 0.000 1.930 506 A HA 0.387 4.698 4.320 -0.015 0.000 0.217 506 A C 2.756 180.266 177.584 -0.123 0.000 1.175 506 A CA 1.942 53.900 52.037 -0.132 0.000 0.627 506 A CB -0.607 18.313 19.000 -0.133 0.000 0.815 506 A HN 0.784 nan 8.150 nan 0.000 0.443 507 A N -0.199 122.477 122.820 -0.239 0.000 2.067 507 A HA -0.114 4.197 4.320 -0.015 0.000 0.219 507 A C 1.709 179.361 177.584 0.113 0.000 1.158 507 A CA 1.375 53.281 52.037 -0.218 0.000 0.661 507 A CB -0.467 18.130 19.000 -0.672 0.000 0.801 507 A HN 0.467 nan 8.150 nan 0.000 0.452 508 N N -0.118 118.597 118.700 0.025 0.000 2.449 508 N HA -0.022 4.709 4.740 -0.015 0.000 0.191 508 N C 0.673 176.238 175.510 0.091 0.000 1.161 508 N CA 0.048 53.174 53.050 0.126 0.000 0.863 508 N CB -0.368 38.142 38.487 0.040 0.000 0.980 508 N HN 0.543 nan 8.380 nan 0.000 0.458 509 R N 0.704 121.246 120.500 0.069 0.000 2.697 509 R HA -0.026 4.305 4.340 -0.015 0.000 0.265 509 R C 1.311 177.656 176.300 0.075 0.000 1.009 509 R CA 0.089 56.222 56.100 0.056 0.000 1.099 509 R CB 0.436 30.765 30.300 0.048 0.000 0.965 509 R HN 0.060 nan 8.270 nan 0.000 0.428 510 I N 1.580 122.180 120.570 0.050 0.000 2.830 510 I HA -0.144 4.017 4.170 -0.015 0.000 0.263 510 I C 0.248 176.389 176.117 0.040 0.000 1.230 510 I CA 0.795 62.122 61.300 0.044 0.000 1.480 510 I CB -0.397 37.619 38.000 0.026 0.000 1.095 510 I HN 0.704 nan 8.210 nan 0.000 0.455 511 D N -1.934 118.490 120.400 0.040 0.000 2.752 511 D HA 0.121 4.752 4.640 -0.015 0.000 0.313 511 D C -0.298 176.028 176.300 0.043 0.000 1.225 511 D CA -0.757 53.261 54.000 0.029 0.000 0.976 511 D CB 0.373 41.176 40.800 0.006 0.000 1.443 511 D HN -0.233 nan 8.370 nan 0.000 0.515 512 N N -0.735 117.981 118.700 0.028 0.000 2.467 512 N HA 0.113 4.844 4.740 -0.015 0.000 0.278 512 N C -1.013 174.508 175.510 0.019 0.000 1.306 512 N CA -0.311 52.767 53.050 0.046 0.000 0.905 512 N CB 0.145 38.660 38.487 0.048 0.000 1.236 512 N HN 0.369 nan 8.380 nan 0.000 0.509 513 E N 0.110 120.308 120.200 -0.003 0.000 2.652 513 E HA -0.126 4.215 4.350 -0.015 0.000 0.255 513 E C -0.196 176.452 176.600 0.080 0.000 0.952 513 E CA 0.513 56.870 56.400 -0.071 0.000 0.947 513 E CB 0.159 29.863 29.700 0.006 0.000 0.912 513 E HN 0.370 nan 8.360 nan 0.000 0.489 514 F N 2.290 122.282 119.950 0.070 0.000 3.100 514 F HA -0.360 4.158 4.527 -0.015 0.000 0.284 514 F C 0.856 176.729 175.800 0.121 0.000 0.875 514 F CA 0.592 58.653 58.000 0.101 0.000 1.039 514 F CB -1.581 37.493 39.000 0.124 0.000 1.111 514 F HN 0.650 nan 8.300 nan 0.000 0.575 515 N N -2.459 116.359 118.700 0.196 0.000 2.753 515 N HA -0.280 4.451 4.740 -0.015 0.000 0.251 515 N C 1.298 176.910 175.510 0.171 0.000 1.097 515 N CA 0.893 54.056 53.050 0.188 0.000 0.786 515 N CB -1.202 37.432 38.487 0.245 0.000 1.137 515 N HN 0.667 nan 8.380 nan 0.000 0.566 516 A N 0.439 123.356 122.820 0.162 0.000 1.948 516 A HA -0.188 4.123 4.320 -0.015 0.000 0.220 516 A C 2.227 179.851 177.584 0.066 0.000 1.177 516 A CA 2.082 54.179 52.037 0.099 0.000 0.636 516 A CB -0.340 18.716 19.000 0.094 0.000 0.815 516 A HN 0.477 nan 8.150 nan 0.000 0.449 517 R N -0.831 119.735 120.500 0.111 0.000 2.062 517 R HA 0.052 4.383 4.340 -0.015 0.000 0.226 517 R C 2.395 178.856 176.300 0.268 0.000 1.125 517 R CA 1.231 57.436 56.100 0.176 0.000 0.966 517 R CB -0.405 30.020 30.300 0.208 0.000 0.861 517 R HN 0.413 nan 8.270 nan 0.000 0.433 518 A N 0.614 123.556 122.820 0.204 0.000 1.908 518 A HA -0.204 4.107 4.320 -0.015 0.000 0.218 518 A C 2.147 179.811 177.584 0.134 0.000 1.181 518 A CA 2.150 54.308 52.037 0.202 0.000 0.627 518 A CB -0.761 18.334 19.000 0.158 0.000 0.818 518 A HN 0.592 nan 8.150 nan 0.000 0.445 519 S N 0.290 115.990 115.700 0.001 0.000 2.402 519 S HA 0.049 4.510 4.470 -0.015 0.000 0.229 519 S C 2.087 176.481 174.600 -0.343 0.000 1.021 519 S CA 1.215 59.200 58.200 -0.359 0.000 0.974 519 S CB -0.701 62.123 63.200 -0.626 0.000 0.800 519 S HN 0.889 nan 8.310 nan 0.000 0.484 520 A N 1.432 124.149 122.820 -0.172 0.000 1.902 520 A HA 0.065 4.376 4.320 -0.015 0.000 0.217 520 A C 1.901 179.364 177.584 -0.201 0.000 1.181 520 A CA 1.376 53.286 52.037 -0.213 0.000 0.623 520 A CB -1.128 17.742 19.000 -0.216 0.000 0.818 520 A HN 0.502 nan 8.150 nan 0.000 0.443 521 F N 0.938 120.864 119.950 -0.041 0.000 2.171 521 F HA -0.158 4.359 4.527 -0.015 0.000 0.300 521 F C 2.795 178.585 175.800 -0.016 0.000 1.090 521 F CA 1.621 59.629 58.000 0.013 0.000 1.293 521 F CB -0.262 38.769 39.000 0.051 0.000 1.013 521 F HN 0.154 nan 8.300 nan 0.000 0.486 522 S N 0.066 115.811 115.700 0.075 0.000 2.368 522 S HA -0.176 4.285 4.470 -0.015 0.000 0.224 522 S C 2.391 176.972 174.600 -0.031 0.000 1.029 522 S CA 0.955 59.170 58.200 0.025 0.000 0.988 522 S CB -0.799 62.370 63.200 -0.052 0.000 0.838 522 S HN 0.375 nan 8.310 nan 0.000 0.462 523 A N 1.695 124.420 122.820 -0.159 0.000 1.908 523 A HA -0.054 4.257 4.320 -0.015 0.000 0.218 523 A C 2.141 179.680 177.584 -0.076 0.000 1.181 523 A CA 1.277 53.229 52.037 -0.141 0.000 0.627 523 A CB -0.841 18.027 19.000 -0.220 0.000 0.818 523 A HN 0.449 nan 8.150 nan 0.000 0.445 524 L N -0.770 120.409 121.223 -0.074 0.000 2.083 524 L HA -0.169 4.162 4.340 -0.015 0.000 0.209 524 L C 2.789 179.691 176.870 0.053 0.000 1.083 524 L CA 1.712 56.531 54.840 -0.035 0.000 0.752 524 L CB -0.813 41.219 42.059 -0.046 0.000 0.899 524 L HN 0.370 nan 8.230 nan 0.000 0.433 525 T N -1.304 113.304 114.554 0.090 0.000 2.708 525 T HA -0.184 4.157 4.350 -0.015 0.000 0.266 525 T C 1.890 176.675 174.700 0.142 0.000 1.037 525 T CA 1.919 64.092 62.100 0.122 0.000 1.146 525 T CB -0.318 68.629 68.868 0.131 0.000 0.865 525 T HN 0.348 nan 8.240 nan 0.000 0.435 526 T N 2.764 117.407 114.554 0.150 0.000 2.684 526 T HA -0.094 4.247 4.350 -0.015 0.000 0.267 526 T C 2.079 176.945 174.700 0.277 0.000 1.036 526 T CA 1.090 63.334 62.100 0.241 0.000 1.148 526 T CB -0.301 68.663 68.868 0.160 0.000 0.863 526 T HN 0.193 nan 8.240 nan 0.000 0.436 527 M N 0.811 120.485 119.600 0.124 0.000 2.080 527 M HA -0.055 4.416 4.480 -0.015 0.000 0.260 527 M C 2.523 179.027 176.300 0.339 0.000 1.068 527 M CA 1.192 56.552 55.300 0.101 0.000 1.109 527 M CB -1.564 30.947 32.600 -0.149 0.000 1.342 527 M HN 0.139 nan 8.290 nan 0.000 0.405 528 V N 0.127 120.176 119.914 0.225 0.000 2.343 528 V HA -0.246 3.865 4.120 -0.015 0.000 0.247 528 V C 2.284 178.487 176.094 0.183 0.000 1.051 528 V CA 1.802 64.224 62.300 0.202 0.000 1.036 528 V CB -0.734 31.171 31.823 0.137 0.000 0.654 528 V HN 0.465 nan 8.190 nan 0.000 0.451 529 E N -1.123 119.177 120.200 0.167 0.000 2.110 529 E HA -0.206 4.135 4.350 -0.015 0.000 0.193 529 E C 1.698 178.255 176.600 -0.072 0.000 0.988 529 E CA 1.540 57.952 56.400 0.019 0.000 0.804 529 E CB -0.071 29.607 29.700 -0.037 0.000 0.745 529 E HN 0.773 nan 8.360 nan 0.000 0.458 530 Y N -0.622 119.800 120.300 0.203 0.000 2.458 530 Y HA 0.345 4.885 4.550 -0.016 0.000 0.256 530 Y C 0.387 176.461 175.900 0.289 0.000 1.159 530 Y CA -0.310 57.937 58.100 0.245 0.000 1.261 530 Y CB 0.482 39.103 38.460 0.269 0.000 1.119 530 Y HN -0.089 nan 8.280 nan 0.000 0.524 531 A N 1.250 124.277 122.820 0.345 0.000 2.546 531 A HA 0.303 4.614 4.320 -0.015 0.000 0.243 531 A C 0.866 178.413 177.584 -0.061 0.000 1.063 531 A CA 0.422 52.531 52.037 0.119 0.000 0.757 531 A CB -0.295 18.808 19.000 0.173 0.000 0.991 531 A HN 0.359 nan 8.150 nan 0.000 0.503 532 T N -0.265 114.098 114.554 -0.318 0.000 2.880 532 T HA 0.358 4.699 4.350 -0.015 0.000 0.279 532 T C 0.501 175.054 174.700 -0.245 0.000 0.990 532 T CA -0.135 61.761 62.100 -0.340 0.000 0.938 532 T CB 0.653 69.158 68.868 -0.605 0.000 1.206 532 T HN 0.479 nan 8.240 nan 0.000 0.573 533 D N 0.962 121.246 120.400 -0.194 0.000 2.144 533 D HA -0.080 4.551 4.640 -0.015 0.000 0.199 533 D C 2.392 178.608 176.300 -0.140 0.000 0.984 533 D CA 1.996 55.916 54.000 -0.132 0.000 0.834 533 D CB -0.717 40.023 40.800 -0.100 0.000 0.955 533 D HN 0.850 nan 8.370 nan 0.000 0.465 534 T N -0.906 113.532 114.554 -0.194 0.000 2.929 534 T HA -0.100 4.241 4.350 -0.015 0.000 0.271 534 T C 1.653 176.274 174.700 -0.132 0.000 1.085 534 T CA 1.011 63.016 62.100 -0.159 0.000 1.125 534 T CB -0.356 68.405 68.868 -0.178 0.000 0.874 534 T HN 0.115 nan 8.240 nan 0.000 0.494 535 V N -2.085 117.728 119.914 -0.167 0.000 2.940 535 V HA 0.846 4.957 4.120 -0.015 0.000 0.366 535 V C 2.010 178.095 176.094 -0.015 0.000 1.353 535 V CA -0.554 61.698 62.300 -0.079 0.000 1.232 535 V CB -0.828 30.916 31.823 -0.131 0.000 1.278 535 V HN 0.365 nan 8.190 nan 0.000 0.546 536 A N 0.608 123.409 122.820 -0.030 0.000 1.933 536 A HA -0.191 4.120 4.320 -0.015 0.000 0.218 536 A C 2.126 179.725 177.584 0.026 0.000 1.175 536 A CA 2.063 54.098 52.037 -0.003 0.000 0.628 536 A CB -0.334 18.655 19.000 -0.018 0.000 0.814 536 A HN 0.706 nan 8.150 nan 0.000 0.444 537 E N -0.237 119.978 120.200 0.024 0.000 2.085 537 E HA -0.213 4.128 4.350 -0.015 0.000 0.194 537 E C 2.094 178.727 176.600 0.055 0.000 0.994 537 E CA 1.920 58.340 56.400 0.033 0.000 0.801 537 E CB -0.201 29.514 29.700 0.024 0.000 0.743 537 E HN 0.755 nan 8.360 nan 0.000 0.453 538 T N -2.061 112.544 114.554 0.085 0.000 2.904 538 T HA -0.028 4.313 4.350 -0.015 0.000 0.267 538 T C 2.094 176.865 174.700 0.118 0.000 1.059 538 T CA 1.328 63.496 62.100 0.113 0.000 1.137 538 T CB -0.168 68.812 68.868 0.187 0.000 0.879 538 T HN -0.024 nan 8.240 nan 0.000 0.467 539 S N 1.772 117.546 115.700 0.124 0.000 2.359 539 S HA 0.044 4.505 4.470 -0.015 0.000 0.224 539 S C 2.616 177.266 174.600 0.083 0.000 1.035 539 S CA 1.147 59.414 58.200 0.111 0.000 1.018 539 S CB -0.940 62.317 63.200 0.094 0.000 0.876 539 S HN 0.806 nan 8.310 nan 0.000 0.448 540 A N 1.306 124.165 122.820 0.064 0.000 1.940 540 A HA -0.115 4.196 4.320 -0.015 0.000 0.219 540 A C 2.329 179.951 177.584 0.062 0.000 1.176 540 A CA 1.968 54.037 52.037 0.052 0.000 0.631 540 A CB -0.967 18.055 19.000 0.037 0.000 0.814 540 A HN 0.450 nan 8.150 nan 0.000 0.446 541 S N -0.129 115.610 115.700 0.065 0.000 2.365 541 S HA -0.174 4.287 4.470 -0.015 0.000 0.225 541 S C 1.813 176.480 174.600 0.112 0.000 1.039 541 S CA 1.678 59.919 58.200 0.069 0.000 1.033 541 S CB -0.525 62.701 63.200 0.042 0.000 0.887 541 S HN 0.560 nan 8.310 nan 0.000 0.447 542 I N 1.750 122.387 120.570 0.111 0.000 2.226 542 I HA -0.196 3.965 4.170 -0.015 0.000 0.245 542 I C 2.733 178.960 176.117 0.184 0.000 1.100 542 I CA 1.446 62.844 61.300 0.164 0.000 1.374 542 I CB -0.485 37.588 38.000 0.123 0.000 1.057 542 I HN 0.391 nan 8.210 nan 0.000 0.413 543 S N -0.381 115.388 115.700 0.115 0.000 2.371 543 S HA -0.152 4.308 4.470 -0.015 0.000 0.224 543 S C 2.006 176.638 174.600 0.054 0.000 1.029 543 S CA 1.604 59.848 58.200 0.073 0.000 0.978 543 S CB -0.875 62.353 63.200 0.046 0.000 0.833 543 S HN 0.336 nan 8.310 nan 0.000 0.466 544 T N 1.959 116.556 114.554 0.071 0.000 2.746 544 T HA -0.022 4.319 4.350 -0.015 0.000 0.267 544 T C 1.285 176.036 174.700 0.086 0.000 1.039 544 T CA 1.548 63.683 62.100 0.059 0.000 1.142 544 T CB -0.597 68.311 68.868 0.067 0.000 0.866 544 T HN 0.528 nan 8.240 nan 0.000 0.444 545 F N 2.686 122.643 119.950 0.012 0.000 2.102 545 F HA -0.113 4.405 4.527 -0.015 0.000 0.298 545 F C 2.319 178.150 175.800 0.052 0.000 1.105 545 F CA 1.268 59.279 58.000 0.019 0.000 1.239 545 F CB -0.800 38.198 39.000 -0.004 0.000 0.991 545 F HN 0.058 nan 8.300 nan 0.000 0.474 546 V N -0.904 118.802 119.914 -0.346 0.000 2.548 546 V HA -0.203 3.908 4.120 -0.015 0.000 0.249 546 V C 2.267 178.230 176.094 -0.218 0.000 1.055 546 V CA 1.804 63.880 62.300 -0.373 0.000 1.065 546 V CB -0.891 30.917 31.823 -0.024 0.000 0.681 546 V HN 0.480 nan 8.190 nan 0.000 0.462 547 M N 0.720 120.239 119.600 -0.136 0.000 2.117 547 M HA -0.151 4.320 4.480 -0.015 0.000 0.262 547 M C 2.268 178.490 176.300 -0.129 0.000 1.065 547 M CA 2.477 57.699 55.300 -0.130 0.000 1.114 547 M CB -0.684 31.846 32.600 -0.116 0.000 1.361 547 M HN 0.534 nan 8.290 nan 0.000 0.408 548 D N 0.495 120.821 120.400 -0.122 0.000 2.144 548 D HA -0.176 4.455 4.640 -0.015 0.000 0.200 548 D C 1.835 178.064 176.300 -0.117 0.000 0.978 548 D CA 1.312 55.258 54.000 -0.089 0.000 0.833 548 D CB 0.127 40.907 40.800 -0.034 0.000 0.961 548 D HN 0.128 nan 8.370 nan 0.000 0.470 549 K N 0.083 120.347 120.400 -0.227 0.000 2.097 549 K HA -0.069 4.242 4.320 -0.015 0.000 0.205 549 K C 2.157 178.686 176.600 -0.119 0.000 1.050 549 K CA 0.366 56.535 56.287 -0.196 0.000 0.938 549 K CB -0.503 31.786 32.500 -0.353 0.000 0.718 549 K HN 0.079 nan 8.250 nan 0.000 0.442 550 L N 0.107 121.255 121.223 -0.124 0.000 2.083 550 L HA -0.012 4.319 4.340 -0.015 0.000 0.209 550 L C 1.954 178.791 176.870 -0.055 0.000 1.083 550 L CA 2.215 57.008 54.840 -0.079 0.000 0.752 550 L CB -1.042 40.971 42.059 -0.076 0.000 0.899 550 L HN 0.283 nan 8.230 nan 0.000 0.433 551 G N -1.465 107.296 108.800 -0.064 0.000 2.459 551 G HA2 -0.300 3.651 3.960 -0.015 0.000 0.217 551 G HA3 -0.300 3.651 3.960 -0.015 0.000 0.217 551 G C 1.448 176.334 174.900 -0.023 0.000 1.183 551 G CA 0.793 45.868 45.100 -0.043 0.000 0.776 551 G HN 0.514 nan 8.290 nan 0.000 0.552 552 Q N -0.090 119.695 119.800 -0.025 0.000 2.077 552 Q HA -0.156 4.175 4.340 -0.015 0.000 0.206 552 Q C 2.937 178.935 176.000 -0.003 0.000 0.989 552 Q CA 2.089 57.887 55.803 -0.008 0.000 0.853 552 Q CB -0.505 28.232 28.738 -0.002 0.000 0.907 552 Q HN 0.662 nan 8.270 nan 0.000 0.418 553 T N -1.791 112.757 114.554 -0.009 0.000 2.977 553 T HA -0.089 4.252 4.350 -0.015 0.000 0.271 553 T C 1.565 176.274 174.700 0.013 0.000 1.105 553 T CA 1.014 63.115 62.100 0.001 0.000 1.116 553 T CB -0.040 68.826 68.868 -0.002 0.000 0.878 553 T HN 0.164 nan 8.240 nan 0.000 0.509 554 M N 1.411 121.019 119.600 0.012 0.000 2.382 554 M HA 0.195 4.666 4.480 -0.015 0.000 0.247 554 M C 1.246 177.558 176.300 0.020 0.000 1.104 554 M CA 0.229 55.543 55.300 0.023 0.000 1.030 554 M CB 0.464 33.077 32.600 0.023 0.000 1.424 554 M HN 0.378 nan 8.290 nan 0.000 0.486 555 S N 0.182 115.890 115.700 0.013 0.000 2.506 555 S HA 0.334 4.795 4.470 -0.015 0.000 0.245 555 S C 0.087 174.694 174.600 0.013 0.000 1.088 555 S CA -0.832 57.376 58.200 0.013 0.000 1.099 555 S CB -1.037 62.169 63.200 0.010 0.000 0.805 555 S HN 0.223 nan 8.310 nan 0.000 0.461 556 V N -1.586 118.336 119.914 0.014 0.000 2.863 556 V HA 0.519 4.630 4.120 -0.015 0.000 0.307 556 V C 0.070 176.171 176.094 0.012 0.000 1.061 556 V CA -0.814 61.493 62.300 0.012 0.000 1.024 556 V CB 1.062 32.891 31.823 0.010 0.000 1.049 556 V HN 0.234 nan 8.190 nan 0.000 0.471 557 D N 2.516 122.922 120.400 0.010 0.000 2.441 557 D HA 0.067 4.698 4.640 -0.015 0.000 0.243 557 D C 1.249 177.554 176.300 0.008 0.000 1.257 557 D CA 0.317 54.323 54.000 0.009 0.000 1.027 557 D CB 0.528 41.333 40.800 0.007 0.000 1.084 557 D HN 0.704 nan 8.370 nan 0.000 0.514 558 E N 2.292 122.498 120.200 0.011 0.000 2.118 558 E HA -0.191 4.150 4.350 -0.015 0.000 0.195 558 E C 1.087 177.691 176.600 0.007 0.000 0.992 558 E CA 0.786 57.192 56.400 0.011 0.000 0.804 558 E CB 0.132 29.842 29.700 0.017 0.000 0.741 558 E HN 0.523 nan 8.360 nan 0.000 0.458 559 N N 0.593 119.298 118.700 0.008 0.000 2.512 559 N HA -0.103 4.628 4.740 -0.015 0.000 0.183 559 N C 1.049 176.560 175.510 0.003 0.000 1.073 559 N CA 0.569 53.623 53.050 0.006 0.000 0.911 559 N CB 0.134 38.625 38.487 0.007 0.000 0.964 559 N HN 0.211 nan 8.380 nan 0.000 0.447 560 Q N 0.006 119.807 119.800 0.002 0.000 2.172 560 Q HA 0.240 4.571 4.340 -0.015 0.000 0.217 560 Q C -1.011 174.988 176.000 -0.002 0.000 0.832 560 Q CA -0.243 55.560 55.803 0.000 0.000 1.010 560 Q CB 0.458 29.197 28.738 0.002 0.000 1.133 560 Q HN 0.029 nan 8.270 nan 0.000 0.489 561 L N 1.373 122.593 121.223 -0.004 0.000 2.275 561 L HA 0.344 4.675 4.340 -0.015 0.000 0.288 561 L C 0.408 177.270 176.870 -0.012 0.000 1.046 561 L CA 0.015 54.850 54.840 -0.008 0.000 0.805 561 L CB 1.208 43.261 42.059 -0.009 0.000 1.193 561 L HN 0.158 nan 8.230 nan 0.000 0.426 562 T N 0.873 115.419 114.554 -0.015 0.000 2.754 562 T HA 0.178 4.519 4.350 -0.015 0.000 0.286 562 T C 1.314 175.998 174.700 -0.025 0.000 0.997 562 T CA -0.539 61.550 62.100 -0.017 0.000 0.982 562 T CB 0.577 69.435 68.868 -0.016 0.000 1.027 562 T HN 0.451 nan 8.240 nan 0.000 0.529 563 L N 0.416 121.623 121.223 -0.027 0.000 2.012 563 L HA -0.051 4.280 4.340 -0.015 0.000 0.210 563 L C 2.965 179.810 176.870 -0.042 0.000 1.073 563 L CA 1.860 56.679 54.840 -0.036 0.000 0.748 563 L CB -0.814 41.226 42.059 -0.032 0.000 0.891 563 L HN 0.872 nan 8.230 nan 0.000 0.431 564 E N -0.587 119.593 120.200 -0.034 0.000 2.058 564 E HA -0.245 4.096 4.350 -0.015 0.000 0.194 564 E C 1.739 178.317 176.600 -0.037 0.000 0.997 564 E CA 1.589 57.968 56.400 -0.035 0.000 0.801 564 E CB -0.020 29.664 29.700 -0.027 0.000 0.746 564 E HN 0.555 nan 8.360 nan 0.000 0.450 565 D N 0.045 120.426 120.400 -0.031 0.000 2.097 565 D HA -0.156 4.475 4.640 -0.015 0.000 0.195 565 D C 1.784 178.060 176.300 -0.039 0.000 0.989 565 D CA 1.340 55.323 54.000 -0.029 0.000 0.827 565 D CB -0.300 40.488 40.800 -0.020 0.000 0.966 565 D HN 0.214 nan 8.370 nan 0.000 0.456 566 A N 0.889 123.680 122.820 -0.048 0.000 1.898 566 A HA -0.167 4.144 4.320 -0.015 0.000 0.216 566 A C 2.113 179.634 177.584 -0.104 0.000 1.181 566 A CA 1.142 53.139 52.037 -0.067 0.000 0.620 566 A CB -0.300 18.660 19.000 -0.068 0.000 0.819 566 A HN 0.037 nan 8.150 nan 0.000 0.442 567 Q N -0.131 119.606 119.800 -0.104 0.000 2.167 567 Q HA -0.051 4.280 4.340 -0.015 0.000 0.202 567 Q C 2.314 178.252 176.000 -0.103 0.000 0.970 567 Q CA 1.488 57.213 55.803 -0.131 0.000 0.855 567 Q CB -0.728 27.948 28.738 -0.104 0.000 0.911 567 Q HN 0.581 nan 8.270 nan 0.000 0.438 568 S N 0.688 116.347 115.700 -0.068 0.000 2.383 568 S HA -0.080 4.380 4.470 -0.015 0.000 0.227 568 S C 1.810 176.383 174.600 -0.046 0.000 1.026 568 S CA 0.533 58.706 58.200 -0.047 0.000 0.981 568 S CB -0.104 63.077 63.200 -0.031 0.000 0.818 568 S HN 0.203 nan 8.310 nan 0.000 0.472 569 L N 1.767 122.960 121.223 -0.050 0.000 2.056 569 L HA -0.041 4.290 4.340 -0.015 0.000 0.207 569 L C 2.270 179.120 176.870 -0.034 0.000 1.078 569 L CA 1.737 56.555 54.840 -0.035 0.000 0.749 569 L CB -0.570 41.473 42.059 -0.027 0.000 0.901 569 L HN 0.294 nan 8.230 nan 0.000 0.433 570 Q N -1.056 118.690 119.800 -0.090 0.000 2.224 570 Q HA -0.239 4.092 4.340 -0.015 0.000 0.203 570 Q C 2.001 177.997 176.000 -0.008 0.000 0.970 570 Q CA 1.425 57.155 55.803 -0.122 0.000 0.865 570 Q CB -0.062 28.308 28.738 -0.613 0.000 0.922 570 Q HN 0.634 nan 8.270 nan 0.000 0.445 571 E N 0.798 120.970 120.200 -0.047 0.000 2.072 571 E HA -0.213 4.128 4.350 -0.015 0.000 0.191 571 E C 1.927 178.505 176.600 -0.037 0.000 0.985 571 E CA 0.689 57.082 56.400 -0.012 0.000 0.801 571 E CB 0.016 29.704 29.700 -0.020 0.000 0.750 571 E HN 0.231 nan 8.360 nan 0.000 0.452 572 L N 1.178 122.358 121.223 -0.072 0.000 2.056 572 L HA -0.165 4.166 4.340 -0.015 0.000 0.207 572 L C 2.143 178.896 176.870 -0.196 0.000 1.078 572 L CA 1.769 56.501 54.840 -0.180 0.000 0.749 572 L CB -0.468 41.516 42.059 -0.127 0.000 0.901 572 L HN 0.172 nan 8.230 nan 0.000 0.433 573 Q N -0.911 118.863 119.800 -0.043 0.000 2.050 573 Q HA -0.168 4.163 4.340 -0.015 0.000 0.202 573 Q C 2.215 178.219 176.000 0.006 0.000 0.980 573 Q CA 1.871 57.678 55.803 0.006 0.000 0.840 573 Q CB -0.256 28.564 28.738 0.137 0.000 0.898 573 Q HN 0.544 nan 8.270 nan 0.000 0.424 574 S N 1.311 117.065 115.700 0.090 0.000 2.365 574 S HA -0.162 4.299 4.470 -0.015 0.000 0.225 574 S C 1.625 176.210 174.600 -0.026 0.000 1.039 574 S CA 1.377 59.613 58.200 0.060 0.000 1.033 574 S CB -0.363 62.919 63.200 0.136 0.000 0.887 574 S HN 0.378 nan 8.310 nan 0.000 0.447 575 N N 1.583 120.212 118.700 -0.119 0.000 2.069 575 N HA -0.042 4.689 4.740 -0.015 0.000 0.191 575 N C 1.669 177.044 175.510 -0.225 0.000 1.031 575 N CA 1.141 54.063 53.050 -0.213 0.000 0.852 575 N CB -0.553 37.630 38.487 -0.507 0.000 1.018 575 N HN 0.402 nan 8.380 nan 0.000 0.423 576 I N 0.493 120.872 120.570 -0.318 0.000 2.226 576 I HA -0.219 3.942 4.170 -0.015 0.000 0.245 576 I C 2.046 178.172 176.117 0.015 0.000 1.100 576 I CA 0.703 61.917 61.300 -0.143 0.000 1.374 576 I CB -0.150 37.760 38.000 -0.150 0.000 1.057 576 I HN 0.034 nan 8.210 nan 0.000 0.413 577 L N 0.096 121.321 121.223 0.005 0.000 2.131 577 L HA -0.199 4.132 4.340 -0.015 0.000 0.210 577 L C 2.554 179.456 176.870 0.054 0.000 1.092 577 L CA 1.591 56.456 54.840 0.042 0.000 0.759 577 L CB -0.555 41.505 42.059 0.002 0.000 0.903 577 L HN 0.200 nan 8.230 nan 0.000 0.435 578 T N -1.306 113.281 114.554 0.055 0.000 2.720 578 T HA -0.182 4.159 4.350 -0.015 0.000 0.268 578 T C 1.906 176.667 174.700 0.101 0.000 1.037 578 T CA 1.628 63.773 62.100 0.075 0.000 1.144 578 T CB -0.188 68.735 68.868 0.091 0.000 0.864 578 T HN 0.105 nan 8.240 nan 0.000 0.444 579 V N 1.271 121.270 119.914 0.141 0.000 2.358 579 V HA -0.060 4.051 4.120 -0.015 0.000 0.246 579 V C 2.463 178.630 176.094 0.122 0.000 1.047 579 V CA 1.328 63.724 62.300 0.159 0.000 1.035 579 V CB -0.622 31.345 31.823 0.240 0.000 0.658 579 V HN 0.433 nan 8.190 nan 0.000 0.452 580 L N 0.011 121.304 121.223 0.117 0.000 2.141 580 L HA -0.124 4.207 4.340 -0.015 0.000 0.209 580 L C 2.702 179.633 176.870 0.102 0.000 1.094 580 L CA 1.303 56.212 54.840 0.116 0.000 0.763 580 L CB -0.698 41.458 42.059 0.163 0.000 0.908 580 L HN 0.375 nan 8.230 nan 0.000 0.437 581 A N 0.134 123.000 122.820 0.077 0.000 1.877 581 A HA -0.170 4.141 4.320 -0.015 0.000 0.216 581 A C 2.545 180.150 177.584 0.035 0.000 1.186 581 A CA 1.676 53.737 52.037 0.040 0.000 0.620 581 A CB -0.677 18.334 19.000 0.018 0.000 0.822 581 A HN 0.386 nan 8.150 nan 0.000 0.443 582 A N -0.670 122.179 122.820 0.050 0.000 1.902 582 A HA -0.023 4.288 4.320 -0.015 0.000 0.217 582 A C 2.242 179.854 177.584 0.047 0.000 1.181 582 A CA 1.810 53.875 52.037 0.046 0.000 0.623 582 A CB -0.953 18.088 19.000 0.069 0.000 0.818 582 A HN 0.387 nan 8.150 nan 0.000 0.443 583 V N 0.065 120.015 119.914 0.062 0.000 2.343 583 V HA -0.262 3.849 4.120 -0.015 0.000 0.247 583 V C 2.407 178.523 176.094 0.037 0.000 1.051 583 V CA 2.102 64.436 62.300 0.056 0.000 1.036 583 V CB -0.548 31.313 31.823 0.063 0.000 0.654 583 V HN 0.588 nan 8.190 nan 0.000 0.451 584 I N -0.941 119.650 120.570 0.035 0.000 2.252 584 I HA -0.196 3.965 4.170 -0.015 0.000 0.245 584 I C 2.725 178.841 176.117 -0.001 0.000 1.102 584 I CA 1.355 62.667 61.300 0.019 0.000 1.385 584 I CB -0.404 37.612 38.000 0.027 0.000 1.064 584 I HN 0.158 nan 8.210 nan 0.000 0.414 585 R N 0.665 121.162 120.500 -0.004 0.000 2.081 585 R HA -0.208 4.123 4.340 -0.015 0.000 0.235 585 R C 2.250 178.539 176.300 -0.018 0.000 1.131 585 R CA 1.582 57.671 56.100 -0.019 0.000 0.960 585 R CB -0.021 30.265 30.300 -0.023 0.000 0.856 585 R HN 0.111 nan 8.270 nan 0.000 0.436 586 K N -0.665 119.732 120.400 -0.006 0.000 2.141 586 K HA 0.103 4.414 4.320 -0.015 0.000 0.202 586 K C 0.224 176.822 176.600 -0.004 0.000 1.045 586 K CA 0.979 57.262 56.287 -0.008 0.000 0.971 586 K CB 0.654 33.158 32.500 0.007 0.000 0.795 586 K HN -0.108 nan 8.250 nan 0.000 0.459 587 S N 2.462 118.168 115.700 0.009 0.000 2.256 587 S HA 0.244 4.705 4.470 -0.015 0.000 0.210 587 S C -2.314 172.290 174.600 0.007 0.000 1.329 587 S CA -1.111 57.094 58.200 0.008 0.000 1.267 587 S CB 1.131 64.344 63.200 0.022 0.000 1.086 587 S HN 0.219 nan 8.310 nan 0.000 0.468 588 P HA -0.152 nan 4.420 nan 0.000 0.219 588 P C 1.619 178.922 177.300 0.004 0.000 1.146 588 P CA 1.188 64.287 63.100 -0.001 0.000 0.808 588 P CB -0.138 31.555 31.700 -0.012 0.000 0.779 589 S N -0.035 115.667 115.700 0.002 0.000 2.423 589 S HA -0.091 4.370 4.470 -0.015 0.000 0.231 589 S C 1.903 176.507 174.600 0.008 0.000 1.014 589 S CA 1.272 59.475 58.200 0.005 0.000 0.965 589 S CB -1.436 61.764 63.200 -0.001 0.000 0.785 589 S HN 0.313 nan 8.310 nan 0.000 0.495 590 S N 0.711 116.417 115.700 0.010 0.000 2.605 590 S HA 0.235 4.696 4.470 -0.015 0.000 0.217 590 S C 1.203 175.811 174.600 0.012 0.000 0.958 590 S CA 0.100 58.308 58.200 0.013 0.000 0.919 590 S CB 0.026 63.238 63.200 0.020 0.000 0.780 590 S HN 0.803 nan 8.310 nan 0.000 0.507 591 V N -1.491 118.427 119.914 0.008 0.000 3.548 591 V HA 0.306 4.417 4.120 -0.015 0.000 0.279 591 V C 1.934 178.026 176.094 -0.003 0.000 1.446 591 V CA 0.385 62.683 62.300 -0.004 0.000 1.023 591 V CB -0.380 31.436 31.823 -0.012 0.000 0.820 591 V HN 0.484 nan 8.190 nan 0.000 0.438 592 E N 2.906 123.114 120.200 0.012 0.000 2.153 592 E HA -0.070 4.271 4.350 -0.015 0.000 0.194 592 E C -0.126 176.492 176.600 0.031 0.000 0.988 592 E CA 1.724 58.141 56.400 0.030 0.000 0.811 592 E CB -1.859 27.865 29.700 0.040 0.000 0.746 592 E HN 0.535 nan 8.360 nan 0.000 0.466 593 P HA -0.144 nan 4.420 nan 0.000 0.220 593 P C 0.866 178.174 177.300 0.014 0.000 1.144 593 P CA 1.516 64.627 63.100 0.019 0.000 0.800 593 P CB -0.001 31.707 31.700 0.013 0.000 0.772 594 V N -5.473 114.441 119.914 0.001 0.000 2.991 594 V HA 0.590 4.701 4.120 -0.015 0.000 0.355 594 V C 1.866 177.935 176.094 -0.043 0.000 1.384 594 V CA 0.061 62.351 62.300 -0.016 0.000 1.171 594 V CB -0.448 31.356 31.823 -0.032 0.000 1.190 594 V HN -0.063 nan 8.190 nan 0.000 0.540 595 A N 0.350 123.161 122.820 -0.014 0.000 1.978 595 A HA -0.236 4.075 4.320 -0.015 0.000 0.220 595 A C 1.982 179.512 177.584 -0.091 0.000 1.170 595 A CA 2.242 54.250 52.037 -0.048 0.000 0.636 595 A CB -0.506 18.527 19.000 0.055 0.000 0.810 595 A HN 0.576 nan 8.150 nan 0.000 0.448 596 D N 0.093 120.525 120.400 0.053 0.000 2.123 596 D HA -0.183 4.448 4.640 -0.015 0.000 0.196 596 D C 2.133 178.421 176.300 -0.021 0.000 0.992 596 D CA 2.000 56.069 54.000 0.114 0.000 0.833 596 D CB -0.144 40.740 40.800 0.139 0.000 0.954 596 D HN 0.696 nan 8.370 nan 0.000 0.455 597 M N -1.036 118.523 119.600 -0.068 0.000 2.388 597 M HA 0.038 4.509 4.480 -0.015 0.000 0.265 597 M C 2.303 178.464 176.300 -0.232 0.000 1.088 597 M CA 0.667 55.903 55.300 -0.107 0.000 1.134 597 M CB -0.309 32.247 32.600 -0.074 0.000 1.384 597 M HN -0.099 nan 8.290 nan 0.000 0.447 598 L N 0.911 121.944 121.223 -0.317 0.000 1.994 598 L HA -0.164 4.167 4.340 -0.015 0.000 0.208 598 L C 2.647 179.043 176.870 -0.791 0.000 1.071 598 L CA 1.492 55.985 54.840 -0.579 0.000 0.745 598 L CB -0.259 41.492 42.059 -0.513 0.000 0.892 598 L HN 0.413 nan 8.230 nan 0.000 0.431 599 M N -0.709 118.529 119.600 -0.603 0.000 2.213 599 M HA -0.121 4.350 4.480 -0.015 0.000 0.263 599 M C 2.233 178.265 176.300 -0.447 0.000 1.062 599 M CA 1.536 56.445 55.300 -0.652 0.000 1.105 599 M CB -1.849 30.185 32.600 -0.942 0.000 1.385 599 M HN 0.304 nan 8.290 nan 0.000 0.417 600 G N 0.345 109.012 108.800 -0.221 0.000 2.446 600 G HA2 -0.175 3.776 3.960 -0.015 0.000 0.217 600 G HA3 -0.175 3.776 3.960 -0.015 0.000 0.217 600 G C 1.684 176.545 174.900 -0.064 0.000 1.168 600 G CA 0.581 45.661 45.100 -0.034 0.000 0.771 600 G HN 0.415 nan 8.290 nan 0.000 0.551 601 L N -0.639 120.461 121.223 -0.205 0.000 2.027 601 L HA 0.009 4.339 4.340 -0.015 0.000 0.206 601 L C 2.736 179.569 176.870 -0.060 0.000 1.074 601 L CA 0.706 55.449 54.840 -0.162 0.000 0.745 601 L CB -0.499 41.401 42.059 -0.264 0.000 0.898 601 L HN 0.053 nan 8.230 nan 0.000 0.433 602 F N -0.308 119.509 119.950 -0.223 0.000 2.126 602 F HA -0.221 4.297 4.527 -0.015 0.000 0.299 602 F C 2.357 178.024 175.800 -0.223 0.000 1.096 602 F CA 1.068 58.897 58.000 -0.286 0.000 1.255 602 F CB -1.146 37.580 39.000 -0.457 0.000 0.997 602 F HN -0.050 nan 8.300 nan 0.000 0.479 603 F N 0.051 120.053 119.950 0.087 0.000 2.234 603 F HA -0.094 4.424 4.527 -0.015 0.000 0.299 603 F C 2.455 178.271 175.800 0.027 0.000 1.087 603 F CA 0.872 58.879 58.000 0.012 0.000 1.340 603 F CB -1.034 38.003 39.000 0.061 0.000 1.031 603 F HN -0.108 nan 8.300 nan 0.000 0.500 604 R N -0.079 120.548 120.500 0.211 0.000 2.075 604 R HA -0.114 4.216 4.340 -0.015 0.000 0.232 604 R C 2.319 178.686 176.300 0.112 0.000 1.126 604 R CA 1.007 57.192 56.100 0.141 0.000 0.963 604 R CB -0.714 29.642 30.300 0.093 0.000 0.858 604 R HN 0.293 nan 8.270 nan 0.000 0.435 605 L N 0.757 122.036 121.223 0.092 0.000 2.013 605 L HA -0.253 4.077 4.340 -0.015 0.000 0.212 605 L C 2.326 179.227 176.870 0.051 0.000 1.073 605 L CA 1.493 56.371 54.840 0.064 0.000 0.753 605 L CB -0.347 41.739 42.059 0.045 0.000 0.890 605 L HN 0.270 nan 8.230 nan 0.000 0.432 606 L N -0.948 120.297 121.223 0.037 0.000 2.201 606 L HA -0.204 4.127 4.340 -0.015 0.000 0.212 606 L C 2.336 179.300 176.870 0.157 0.000 1.105 606 L CA 0.996 55.852 54.840 0.028 0.000 0.775 606 L CB -0.341 41.596 42.059 -0.202 0.000 0.913 606 L HN 0.288 nan 8.230 nan 0.000 0.440 607 E N -0.149 120.153 120.200 0.170 0.000 2.158 607 E HA -0.053 4.288 4.350 -0.015 0.000 0.191 607 E C 0.413 177.087 176.600 0.123 0.000 0.982 607 E CA 0.272 56.776 56.400 0.174 0.000 0.823 607 E CB 0.305 30.098 29.700 0.156 0.000 0.766 607 E HN 0.299 nan 8.360 nan 0.000 0.468 608 K N 2.327 122.793 120.400 0.109 0.000 2.485 608 K HA -0.021 4.290 4.320 -0.015 0.000 0.277 608 K C -0.116 176.543 176.600 0.099 0.000 0.990 608 K CA 0.290 56.635 56.287 0.097 0.000 0.994 608 K CB 0.398 32.961 32.500 0.105 0.000 0.906 608 K HN -0.102 nan 8.250 nan 0.000 0.488 609 K N 1.122 121.571 120.400 0.083 0.000 2.126 609 K HA 0.144 4.455 4.320 -0.015 0.000 0.257 609 K C -0.242 176.416 176.600 0.096 0.000 1.007 609 K CA -0.466 55.868 56.287 0.078 0.000 0.928 609 K CB 0.388 32.921 32.500 0.055 0.000 1.013 609 K HN 0.568 nan 8.250 nan 0.000 0.473 610 D N -0.803 119.660 120.400 0.104 0.000 3.017 610 D HA -0.167 4.464 4.640 -0.015 0.000 0.220 610 D C 0.089 176.554 176.300 0.275 0.000 1.141 610 D CA 1.335 55.424 54.000 0.148 0.000 0.848 610 D CB -1.552 39.306 40.800 0.095 0.000 1.102 610 D HN 0.623 nan 8.370 nan 0.000 0.427 611 S N -1.586 114.228 115.700 0.190 0.000 2.562 611 S HA 0.257 4.718 4.470 -0.015 0.000 0.221 611 S C 2.208 176.837 174.600 0.049 0.000 0.975 611 S CA 0.497 58.771 58.200 0.122 0.000 0.918 611 S CB 0.320 63.555 63.200 0.058 0.000 0.772 611 S HN 0.466 nan 8.310 nan 0.000 0.531 612 A N 2.422 125.327 122.820 0.142 0.000 1.917 612 A HA -0.026 4.285 4.320 -0.015 0.000 0.219 612 A C 1.924 179.559 177.584 0.084 0.000 1.182 612 A CA 1.634 53.724 52.037 0.089 0.000 0.633 612 A CB -1.328 17.734 19.000 0.103 0.000 0.819 612 A HN 0.914 nan 8.150 nan 0.000 0.448 613 F N -1.685 118.269 119.950 0.006 0.000 2.333 613 F HA 0.103 4.621 4.527 -0.015 0.000 0.300 613 F C 1.556 177.361 175.800 0.009 0.000 1.083 613 F CA 1.380 59.385 58.000 0.008 0.000 1.395 613 F CB -0.136 38.868 39.000 0.006 0.000 1.056 613 F HN 0.145 nan 8.300 nan 0.000 0.529 614 I N -0.643 119.340 120.570 -0.979 0.000 4.227 614 I HA 0.072 4.233 4.170 -0.015 0.000 0.334 614 I C 1.719 177.599 176.117 -0.396 0.000 1.341 614 I CA 0.155 60.963 61.300 -0.820 0.000 1.123 614 I CB -0.104 37.133 38.000 -1.272 0.000 1.097 614 I HN 0.039 nan 8.210 nan 0.000 0.399 615 E N 1.006 121.044 120.200 -0.271 0.000 2.033 615 E HA -0.282 4.059 4.350 -0.015 0.000 0.199 615 E C 1.290 177.802 176.600 -0.147 0.000 1.011 615 E CA 2.155 58.456 56.400 -0.164 0.000 0.815 615 E CB 0.021 29.662 29.700 -0.099 0.000 0.755 615 E HN 0.443 nan 8.360 nan 0.000 0.451 616 D N 0.585 120.900 120.400 -0.141 0.000 2.104 616 D HA -0.163 4.468 4.640 -0.015 0.000 0.194 616 D C 1.568 177.807 176.300 -0.102 0.000 0.994 616 D CA 1.131 55.022 54.000 -0.183 0.000 0.830 616 D CB -0.451 40.294 40.800 -0.092 0.000 0.959 616 D HN 0.139 nan 8.370 nan 0.000 0.452 617 D N 0.050 120.446 120.400 -0.006 0.000 2.116 617 D HA -0.115 4.516 4.640 -0.015 0.000 0.193 617 D C 2.285 178.520 176.300 -0.108 0.000 0.998 617 D CA 0.620 54.645 54.000 0.042 0.000 0.836 617 D CB -0.403 40.367 40.800 -0.050 0.000 0.951 617 D HN 0.100 nan 8.370 nan 0.000 0.449 618 V N 0.682 120.447 119.914 -0.249 0.000 2.358 618 V HA -0.201 3.910 4.120 -0.015 0.000 0.246 618 V C 2.155 177.991 176.094 -0.429 0.000 1.047 618 V CA 1.095 63.097 62.300 -0.496 0.000 1.035 618 V CB -0.577 30.981 31.823 -0.442 0.000 0.658 618 V HN 0.070 nan 8.190 nan 0.000 0.452 619 F N 0.209 119.949 119.950 -0.350 0.000 2.126 619 F HA -0.246 4.272 4.527 -0.016 0.000 0.299 619 F C 2.225 177.875 175.800 -0.249 0.000 1.096 619 F CA 1.704 59.545 58.000 -0.265 0.000 1.255 619 F CB -0.445 38.368 39.000 -0.312 0.000 0.997 619 F HN 0.166 nan 8.300 nan 0.000 0.479 620 Y N -0.220 120.037 120.300 -0.072 0.000 2.114 620 Y HA -0.242 4.299 4.550 -0.015 0.000 0.284 620 Y C 2.676 178.419 175.900 -0.262 0.000 1.143 620 Y CA 1.078 59.100 58.100 -0.130 0.000 1.135 620 Y CB -1.006 37.428 38.460 -0.042 0.000 0.980 620 Y HN 0.148 nan 8.280 nan 0.000 0.499 621 A N 0.427 123.148 122.820 -0.165 0.000 1.883 621 A HA -0.216 4.095 4.320 -0.015 0.000 0.217 621 A C 2.176 179.569 177.584 -0.319 0.000 1.186 621 A CA 2.002 53.879 52.037 -0.266 0.000 0.624 621 A CB -1.122 17.587 19.000 -0.484 0.000 0.822 621 A HN 0.510 nan 8.150 nan 0.000 0.444 622 I N -0.287 119.976 120.570 -0.511 0.000 2.226 622 I HA -0.230 3.931 4.170 -0.015 0.000 0.245 622 I C 2.702 178.510 176.117 -0.516 0.000 1.100 622 I CA 1.442 62.453 61.300 -0.482 0.000 1.374 622 I CB -0.267 37.350 38.000 -0.638 0.000 1.057 622 I HN 0.241 nan 8.210 nan 0.000 0.413 623 S N 0.708 116.090 115.700 -0.529 0.000 2.368 623 S HA -0.182 4.279 4.470 -0.015 0.000 0.225 623 S C 2.233 176.708 174.600 -0.208 0.000 1.030 623 S CA 1.436 59.434 58.200 -0.336 0.000 0.999 623 S CB -0.370 62.631 63.200 -0.332 0.000 0.844 623 S HN 0.556 nan 8.310 nan 0.000 0.459 624 A N 1.056 123.774 122.820 -0.170 0.000 1.930 624 A HA 0.024 4.335 4.320 -0.015 0.000 0.217 624 A C 2.084 179.586 177.584 -0.136 0.000 1.175 624 A CA 1.067 53.033 52.037 -0.118 0.000 0.627 624 A CB -0.606 18.352 19.000 -0.071 0.000 0.815 624 A HN 0.399 nan 8.150 nan 0.000 0.443 625 L N -0.132 121.001 121.223 -0.150 0.000 2.046 625 L HA -0.056 4.275 4.340 -0.015 0.000 0.208 625 L C 2.690 179.440 176.870 -0.199 0.000 1.077 625 L CA 2.037 56.810 54.840 -0.112 0.000 0.747 625 L CB -0.868 41.165 42.059 -0.042 0.000 0.896 625 L HN 0.353 nan 8.230 nan 0.000 0.432 626 A N -0.405 122.122 122.820 -0.488 0.000 1.883 626 A HA -0.194 4.117 4.320 -0.015 0.000 0.217 626 A C 2.487 179.821 177.584 -0.416 0.000 1.186 626 A CA 2.108 53.618 52.037 -0.878 0.000 0.624 626 A CB -1.294 16.922 19.000 -1.307 0.000 0.822 626 A HN 0.568 nan 8.150 nan 0.000 0.444 627 A N -0.378 122.254 122.820 -0.312 0.000 1.917 627 A HA -0.150 4.161 4.320 -0.015 0.000 0.219 627 A C 2.414 179.925 177.584 -0.122 0.000 1.182 627 A CA 2.403 54.319 52.037 -0.201 0.000 0.633 627 A CB -0.875 18.035 19.000 -0.151 0.000 0.819 627 A HN 0.535 nan 8.150 nan 0.000 0.448 628 S N -0.461 115.183 115.700 -0.092 0.000 2.414 628 S HA 0.068 4.528 4.470 -0.015 0.000 0.227 628 S C 1.738 176.336 174.600 -0.004 0.000 1.022 628 S CA 1.073 59.248 58.200 -0.041 0.000 0.958 628 S CB -0.285 62.899 63.200 -0.026 0.000 0.797 628 S HN 0.495 nan 8.310 nan 0.000 0.493 629 L N 0.823 122.061 121.223 0.025 0.000 2.131 629 L HA 0.127 4.458 4.340 -0.015 0.000 0.206 629 L C 1.983 178.909 176.870 0.094 0.000 1.087 629 L CA 0.658 55.561 54.840 0.106 0.000 0.767 629 L CB -1.184 41.029 42.059 0.258 0.000 0.917 629 L HN 0.538 nan 8.230 nan 0.000 0.441 630 G N 0.603 109.437 108.800 0.056 0.000 2.565 630 G HA2 -0.403 3.548 3.960 -0.015 0.000 0.295 630 G HA3 -0.403 3.548 3.960 -0.015 0.000 0.295 630 G C 0.864 175.823 174.900 0.099 0.000 1.165 630 G CA 0.506 45.629 45.100 0.039 0.000 0.977 630 G HN 0.225 nan 8.290 nan 0.000 0.546 631 K N 1.203 121.651 120.400 0.080 0.000 2.103 631 K HA -0.046 4.265 4.320 -0.015 0.000 0.207 631 K C 2.726 179.389 176.600 0.104 0.000 1.048 631 K CA 1.448 57.790 56.287 0.092 0.000 0.930 631 K CB -0.629 31.911 32.500 0.068 0.000 0.716 631 K HN 0.652 nan 8.250 nan 0.000 0.444 632 G N 0.550 109.413 108.800 0.105 0.000 2.527 632 G HA2 -0.242 3.709 3.960 -0.015 0.000 0.219 632 G HA3 -0.242 3.709 3.960 -0.015 0.000 0.219 632 G C 1.126 176.119 174.900 0.154 0.000 1.117 632 G CA 0.135 45.297 45.100 0.103 0.000 0.759 632 G HN 0.244 nan 8.290 nan 0.000 0.556 633 F N 0.799 120.798 119.950 0.082 0.000 2.743 633 F HA 0.193 4.711 4.527 -0.014 0.000 0.297 633 F C 2.270 178.124 175.800 0.090 0.000 1.131 633 F CA 0.699 58.804 58.000 0.174 0.000 1.426 633 F CB 0.197 39.288 39.000 0.153 0.000 1.116 633 F HN 0.329 nan 8.300 nan 0.000 0.583 634 E N 1.411 121.636 120.200 0.042 0.000 2.160 634 E HA -0.274 4.067 4.350 -0.015 0.000 0.195 634 E C 2.062 178.559 176.600 -0.171 0.000 0.991 634 E CA 1.772 58.165 56.400 -0.011 0.000 0.810 634 E CB -0.236 29.519 29.700 0.090 0.000 0.742 634 E HN 0.550 nan 8.360 nan 0.000 0.466 635 K N -0.387 119.798 120.400 -0.359 0.000 2.281 635 K HA -0.195 4.116 4.320 -0.015 0.000 0.203 635 K C 1.003 177.296 176.600 -0.512 0.000 1.046 635 K CA 1.498 57.502 56.287 -0.472 0.000 0.938 635 K CB -0.322 31.805 32.500 -0.622 0.000 0.737 635 K HN 0.331 nan 8.250 nan 0.000 0.458 636 Y N 0.952 121.051 120.300 -0.334 0.000 2.478 636 Y HA 0.228 4.769 4.550 -0.015 0.000 0.261 636 Y C 2.030 177.870 175.900 -0.099 0.000 1.127 636 Y CA -0.487 57.446 58.100 -0.279 0.000 1.288 636 Y CB -0.137 37.975 38.460 -0.579 0.000 1.084 636 Y HN -0.125 nan 8.280 nan 0.000 0.530 637 L N 0.397 121.613 121.223 -0.013 0.000 2.012 637 L HA -0.272 4.059 4.340 -0.015 0.000 0.210 637 L C 2.608 179.603 176.870 0.209 0.000 1.073 637 L CA 2.014 56.976 54.840 0.203 0.000 0.748 637 L CB -0.297 41.767 42.059 0.010 0.000 0.891 637 L HN 0.334 nan 8.230 nan 0.000 0.431 638 E N -0.604 119.671 120.200 0.125 0.000 2.038 638 E HA -0.309 4.032 4.350 -0.015 0.000 0.195 638 E C 2.029 178.672 176.600 0.072 0.000 1.000 638 E CA 2.125 58.587 56.400 0.103 0.000 0.803 638 E CB -0.077 29.667 29.700 0.073 0.000 0.750 638 E HN 0.371 nan 8.360 nan 0.000 0.448 639 T N -1.103 113.475 114.554 0.040 0.000 3.055 639 T HA -0.109 4.232 4.350 -0.015 0.000 0.265 639 T C 1.392 176.079 174.700 -0.022 0.000 1.111 639 T CA 0.665 62.696 62.100 -0.115 0.000 1.118 639 T CB -0.365 68.299 68.868 -0.340 0.000 0.909 639 T HN 0.258 nan 8.240 nan 0.000 0.501 640 F N 1.340 121.381 119.950 0.152 0.000 2.456 640 F HA 0.233 4.750 4.527 -0.015 0.000 0.298 640 F C 2.490 178.472 175.800 0.304 0.000 1.104 640 F CA 0.783 59.042 58.000 0.433 0.000 1.435 640 F CB -0.770 38.529 39.000 0.497 0.000 1.078 640 F HN 0.214 nan 8.300 nan 0.000 0.546 641 S N 1.004 116.769 115.700 0.109 0.000 2.381 641 S HA -0.178 4.283 4.470 -0.015 0.000 0.230 641 S C -0.372 174.122 174.600 -0.176 0.000 1.052 641 S CA 2.213 60.395 58.200 -0.030 0.000 1.068 641 S CB -1.345 61.871 63.200 0.027 0.000 0.918 641 S HN 0.293 nan 8.310 nan 0.000 0.448 642 P HA 0.034 nan 4.420 nan 0.000 0.225 642 P C 0.565 177.598 177.300 -0.445 0.000 1.156 642 P CA 0.938 63.826 63.100 -0.353 0.000 0.787 642 P CB -0.247 31.188 31.700 -0.441 0.000 0.802 643 Y N -0.381 119.751 120.300 -0.281 0.000 2.220 643 Y HA -0.072 4.468 4.550 -0.015 0.000 0.291 643 Y C 2.415 178.068 175.900 -0.413 0.000 1.129 643 Y CA 0.511 58.425 58.100 -0.311 0.000 1.161 643 Y CB -1.459 36.856 38.460 -0.243 0.000 0.997 643 Y HN -0.154 nan 8.280 nan 0.000 0.522 644 L N 0.093 121.028 121.223 -0.481 0.000 1.990 644 L HA -0.223 4.108 4.340 -0.015 0.000 0.213 644 L C 2.049 178.820 176.870 -0.165 0.000 1.072 644 L CA 1.743 56.405 54.840 -0.298 0.000 0.755 644 L CB -0.949 40.921 42.059 -0.314 0.000 0.889 644 L HN 0.234 nan 8.230 nan 0.000 0.432 645 L N -0.525 120.602 121.223 -0.159 0.000 2.046 645 L HA -0.242 4.089 4.340 -0.015 0.000 0.208 645 L C 2.651 179.439 176.870 -0.137 0.000 1.077 645 L CA 1.867 56.640 54.840 -0.112 0.000 0.747 645 L CB -0.526 41.474 42.059 -0.098 0.000 0.896 645 L HN 0.361 nan 8.230 nan 0.000 0.432 646 K N 0.254 120.547 120.400 -0.179 0.000 2.032 646 K HA -0.217 4.094 4.320 -0.015 0.000 0.209 646 K C 2.033 178.510 176.600 -0.206 0.000 1.048 646 K CA 1.615 57.798 56.287 -0.173 0.000 0.927 646 K CB -0.199 32.197 32.500 -0.173 0.000 0.712 646 K HN 0.251 nan 8.250 nan 0.000 0.441 647 A N 1.126 123.765 122.820 -0.303 0.000 1.873 647 A HA -0.081 4.230 4.320 -0.015 0.000 0.215 647 A C 2.180 179.612 177.584 -0.253 0.000 1.186 647 A CA 1.453 53.229 52.037 -0.434 0.000 0.616 647 A CB -0.715 17.733 19.000 -0.920 0.000 0.823 647 A HN 0.353 nan 8.150 nan 0.000 0.442 648 L N -0.490 120.641 121.223 -0.155 0.000 2.127 648 L HA -0.233 4.098 4.340 -0.015 0.000 0.211 648 L C 2.081 178.912 176.870 -0.066 0.000 1.089 648 L CA 1.682 56.482 54.840 -0.068 0.000 0.757 648 L CB -0.509 41.541 42.059 -0.016 0.000 0.899 648 L HN 0.504 nan 8.230 nan 0.000 0.434 649 N N -0.987 117.663 118.700 -0.084 0.000 2.446 649 N HA -0.076 4.655 4.740 -0.015 0.000 0.179 649 N C 0.461 175.929 175.510 -0.070 0.000 1.054 649 N CA -0.055 52.955 53.050 -0.066 0.000 0.905 649 N CB 0.190 38.638 38.487 -0.064 0.000 0.973 649 N HN 0.350 nan 8.380 nan 0.000 0.448 650 Q N 1.402 121.144 119.800 -0.097 0.000 3.223 650 Q HA 0.025 4.356 4.340 -0.015 0.000 0.299 650 Q C 1.100 177.060 176.000 -0.066 0.000 1.385 650 Q CA -0.208 55.542 55.803 -0.088 0.000 0.942 650 Q CB 0.150 28.816 28.738 -0.120 0.000 1.748 650 Q HN 0.308 nan 8.270 nan 0.000 0.523 651 V N -1.885 118.001 119.914 -0.046 0.000 3.383 651 V HA -0.152 3.959 4.120 -0.015 0.000 0.272 651 V C 1.198 177.278 176.094 -0.023 0.000 1.181 651 V CA 1.587 63.869 62.300 -0.030 0.000 1.171 651 V CB -0.338 31.474 31.823 -0.018 0.000 0.800 651 V HN 0.531 nan 8.190 nan 0.000 0.515 652 D N 0.284 120.667 120.400 -0.029 0.000 2.360 652 D HA 0.083 4.714 4.640 -0.015 0.000 0.210 652 D C 1.118 177.406 176.300 -0.021 0.000 1.047 652 D CA 0.710 54.697 54.000 -0.023 0.000 0.854 652 D CB 0.440 41.227 40.800 -0.023 0.000 0.936 652 D HN 0.546 nan 8.370 nan 0.000 0.514 653 S N 0.487 116.168 115.700 -0.031 0.000 2.565 653 S HA 0.437 4.898 4.470 -0.015 0.000 0.290 653 S C -1.987 172.608 174.600 -0.009 0.000 1.150 653 S CA -1.417 56.767 58.200 -0.027 0.000 1.058 653 S CB 1.937 65.102 63.200 -0.058 0.000 1.032 653 S HN -0.280 nan 8.310 nan 0.000 0.510 654 P HA -0.032 nan 4.420 nan 0.000 0.225 654 P C 1.391 178.742 177.300 0.085 0.000 1.148 654 P CA 0.328 63.469 63.100 0.069 0.000 0.779 654 P CB 0.027 31.792 31.700 0.108 0.000 0.780 655 V N 0.517 120.433 119.914 0.003 0.000 2.626 655 V HA -0.211 3.900 4.120 -0.015 0.000 0.252 655 V C 2.333 178.363 176.094 -0.106 0.000 1.067 655 V CA 2.482 64.714 62.300 -0.113 0.000 1.081 655 V CB -1.142 30.462 31.823 -0.366 0.000 0.686 655 V HN 0.273 nan 8.190 nan 0.000 0.468 656 S N -0.411 115.242 115.700 -0.077 0.000 2.406 656 S HA -0.106 4.355 4.470 -0.015 0.000 0.228 656 S C 1.853 176.475 174.600 0.037 0.000 1.020 656 S CA 1.539 59.710 58.200 -0.049 0.000 0.965 656 S CB -0.590 62.580 63.200 -0.051 0.000 0.798 656 S HN 0.600 nan 8.310 nan 0.000 0.488 657 I N 2.502 123.108 120.570 0.060 0.000 2.179 657 I HA -0.155 4.006 4.170 -0.015 0.000 0.242 657 I C 3.166 179.363 176.117 0.134 0.000 1.088 657 I CA 1.681 63.029 61.300 0.080 0.000 1.357 657 I CB -0.952 37.093 38.000 0.075 0.000 1.051 657 I HN 0.544 nan 8.210 nan 0.000 0.409 658 T N -0.203 114.476 114.554 0.208 0.000 2.904 658 T HA -0.039 4.302 4.350 -0.015 0.000 0.267 658 T C 1.986 176.896 174.700 0.350 0.000 1.059 658 T CA 1.003 63.277 62.100 0.289 0.000 1.137 658 T CB -0.214 68.907 68.868 0.422 0.000 0.879 658 T HN 0.324 nan 8.240 nan 0.000 0.467 659 A N 1.126 124.175 122.820 0.382 0.000 1.883 659 A HA 0.028 4.339 4.320 -0.015 0.000 0.217 659 A C 2.642 180.414 177.584 0.314 0.000 1.186 659 A CA 1.934 54.225 52.037 0.423 0.000 0.624 659 A CB -1.176 17.964 19.000 0.232 0.000 0.822 659 A HN 0.465 nan 8.150 nan 0.000 0.444 660 V N -0.015 120.011 119.914 0.187 0.000 2.343 660 V HA -0.199 3.912 4.120 -0.015 0.000 0.247 660 V C 2.802 178.967 176.094 0.119 0.000 1.051 660 V CA 1.944 64.317 62.300 0.121 0.000 1.036 660 V CB -1.537 30.311 31.823 0.041 0.000 0.654 660 V HN 0.626 nan 8.190 nan 0.000 0.451 661 G N -0.986 107.891 108.800 0.128 0.000 2.432 661 G HA2 -0.312 3.639 3.960 -0.015 0.000 0.219 661 G HA3 -0.312 3.639 3.960 -0.015 0.000 0.219 661 G C 1.550 176.506 174.900 0.094 0.000 1.135 661 G CA 0.953 46.104 45.100 0.086 0.000 0.767 661 G HN 0.541 nan 8.290 nan 0.000 0.550 662 F N 1.104 121.078 119.950 0.040 0.000 2.163 662 F HA 0.099 4.616 4.527 -0.015 0.000 0.297 662 F C 2.415 178.243 175.800 0.046 0.000 1.094 662 F CA 0.917 58.927 58.000 0.016 0.000 1.290 662 F CB -0.041 38.995 39.000 0.059 0.000 1.017 662 F HN 0.082 nan 8.300 nan 0.000 0.483 663 I N 0.580 121.309 120.570 0.266 0.000 2.208 663 I HA -0.333 3.828 4.170 -0.015 0.000 0.245 663 I C 2.726 178.799 176.117 -0.072 0.000 1.097 663 I CA 1.230 62.634 61.300 0.173 0.000 1.363 663 I CB -0.939 37.206 38.000 0.241 0.000 1.051 663 I HN 0.282 nan 8.210 nan 0.000 0.413 664 A N 0.447 123.216 122.820 -0.085 0.000 1.902 664 A HA -0.239 4.072 4.320 -0.015 0.000 0.217 664 A C 1.987 179.442 177.584 -0.215 0.000 1.181 664 A CA 2.058 54.001 52.037 -0.157 0.000 0.623 664 A CB -0.556 18.383 19.000 -0.102 0.000 0.818 664 A HN 0.340 nan 8.150 nan 0.000 0.443 665 D N 0.214 120.473 120.400 -0.235 0.000 2.097 665 D HA -0.141 4.490 4.640 -0.015 0.000 0.197 665 D C 1.909 178.023 176.300 -0.310 0.000 0.984 665 D CA 1.846 55.682 54.000 -0.273 0.000 0.826 665 D CB -0.446 40.165 40.800 -0.314 0.000 0.973 665 D HN 0.684 nan 8.370 nan 0.000 0.460 666 I N -0.204 120.114 120.570 -0.420 0.000 2.676 666 I HA -0.116 4.044 4.170 -0.015 0.000 0.259 666 I C 2.205 178.263 176.117 -0.098 0.000 1.194 666 I CA 0.966 62.120 61.300 -0.243 0.000 1.473 666 I CB -0.439 37.428 38.000 -0.221 0.000 1.096 666 I HN -0.148 nan 8.210 nan 0.000 0.443 667 S N 1.277 116.764 115.700 -0.355 0.000 2.387 667 S HA -0.088 4.373 4.470 -0.015 0.000 0.226 667 S C 1.817 176.244 174.600 -0.289 0.000 1.026 667 S CA 1.022 58.796 58.200 -0.709 0.000 0.972 667 S CB -0.719 61.735 63.200 -1.243 0.000 0.814 667 S HN 0.505 nan 8.310 nan 0.000 0.477 668 N N 1.695 120.262 118.700 -0.221 0.000 2.457 668 N HA 0.036 4.767 4.740 -0.015 0.000 0.180 668 N C 1.838 177.302 175.510 -0.077 0.000 1.050 668 N CA 1.286 54.254 53.050 -0.136 0.000 0.906 668 N CB -0.048 38.361 38.487 -0.132 0.000 0.968 668 N HN 0.787 nan 8.380 nan 0.000 0.445 669 S N -0.286 115.378 115.700 -0.061 0.000 2.506 669 S HA 0.168 4.629 4.470 -0.015 0.000 0.230 669 S C 1.910 176.535 174.600 0.041 0.000 1.066 669 S CA -0.179 58.011 58.200 -0.018 0.000 0.940 669 S CB -0.352 62.827 63.200 -0.035 0.000 0.818 669 S HN 0.083 nan 8.310 nan 0.000 0.518 670 L N 1.287 122.566 121.223 0.092 0.000 2.275 670 L HA 0.058 4.389 4.340 -0.015 0.000 0.215 670 L C 1.546 178.507 176.870 0.152 0.000 1.119 670 L CA 0.906 55.847 54.840 0.169 0.000 0.790 670 L CB -0.934 41.311 42.059 0.309 0.000 0.919 670 L HN 0.412 nan 8.230 nan 0.000 0.443 671 E N -0.176 120.084 120.200 0.100 0.000 3.365 671 E HA -0.421 3.920 4.350 -0.015 0.000 0.433 671 E C 1.379 178.065 176.600 0.143 0.000 1.581 671 E CA 2.149 58.596 56.400 0.078 0.000 1.316 671 E CB -0.767 28.962 29.700 0.047 0.000 1.452 671 E HN 0.457 nan 8.360 nan 0.000 0.452 672 E N 0.846 121.118 120.200 0.120 0.000 2.204 672 E HA -0.120 4.221 4.350 -0.015 0.000 0.194 672 E C 1.387 178.084 176.600 0.162 0.000 0.989 672 E CA 1.302 57.782 56.400 0.133 0.000 0.824 672 E CB -0.022 29.733 29.700 0.091 0.000 0.756 672 E HN 0.280 nan 8.360 nan 0.000 0.477 673 D N -0.122 120.377 120.400 0.166 0.000 2.350 673 D HA -0.116 4.515 4.640 -0.015 0.000 0.216 673 D C 1.157 177.601 176.300 0.241 0.000 0.968 673 D CA 0.341 54.440 54.000 0.164 0.000 0.894 673 D CB -0.154 40.741 40.800 0.159 0.000 0.909 673 D HN 0.156 nan 8.370 nan 0.000 0.520 674 F N 1.792 121.844 119.950 0.170 0.000 2.365 674 F HA -0.076 4.442 4.527 -0.015 0.000 0.300 674 F C 2.013 177.929 175.800 0.193 0.000 1.090 674 F CA 0.762 58.910 58.000 0.247 0.000 1.408 674 F CB 0.089 39.201 39.000 0.186 0.000 1.060 674 F HN -0.215 nan 8.300 nan 0.000 0.534 675 R N 0.189 120.782 120.500 0.156 0.000 2.196 675 R HA -0.292 4.039 4.340 -0.015 0.000 0.259 675 R C 2.225 178.433 176.300 -0.154 0.000 1.154 675 R CA 2.346 58.467 56.100 0.035 0.000 0.976 675 R CB -0.448 29.879 30.300 0.046 0.000 0.888 675 R HN 0.327 nan 8.270 nan 0.000 0.453 676 R N -1.155 119.150 120.500 -0.326 0.000 2.120 676 R HA -0.158 4.173 4.340 -0.015 0.000 0.234 676 R C 1.328 177.208 176.300 -0.700 0.000 1.123 676 R CA 1.537 57.270 56.100 -0.612 0.000 0.975 676 R CB -0.093 29.587 30.300 -1.034 0.000 0.866 676 R HN 0.384 nan 8.270 nan 0.000 0.446 677 Y N -0.995 119.129 120.300 -0.292 0.000 2.442 677 Y HA 0.120 4.661 4.550 -0.015 0.000 0.250 677 Y C 2.360 177.999 175.900 -0.434 0.000 1.113 677 Y CA 0.210 58.101 58.100 -0.348 0.000 1.273 677 Y CB 0.030 38.260 38.460 -0.384 0.000 1.138 677 Y HN 0.035 nan 8.280 nan 0.000 0.522 678 S N 0.097 115.567 115.700 -0.384 0.000 2.370 678 S HA -0.229 4.232 4.470 -0.015 0.000 0.226 678 S C 1.653 176.224 174.600 -0.047 0.000 1.033 678 S CA 1.816 59.904 58.200 -0.186 0.000 1.011 678 S CB -0.423 62.837 63.200 0.100 0.000 0.852 678 S HN 0.375 nan 8.310 nan 0.000 0.457 679 D N 2.025 122.462 120.400 0.061 0.000 2.097 679 D HA -0.019 4.612 4.640 -0.015 0.000 0.195 679 D C 2.352 178.687 176.300 0.058 0.000 0.989 679 D CA 1.548 55.631 54.000 0.139 0.000 0.827 679 D CB -0.557 40.323 40.800 0.134 0.000 0.966 679 D HN 0.588 nan 8.370 nan 0.000 0.456 680 A N 0.879 123.723 122.820 0.041 0.000 1.933 680 A HA -0.149 4.162 4.320 -0.015 0.000 0.218 680 A C 2.215 179.834 177.584 0.058 0.000 1.175 680 A CA 1.218 53.286 52.037 0.052 0.000 0.628 680 A CB -0.320 18.722 19.000 0.069 0.000 0.814 680 A HN 0.128 nan 8.150 nan 0.000 0.444 681 M N -1.328 118.309 119.600 0.062 0.000 2.123 681 M HA -0.058 4.413 4.480 -0.015 0.000 0.263 681 M C 2.211 178.571 176.300 0.099 0.000 1.069 681 M CA 1.201 56.577 55.300 0.126 0.000 1.133 681 M CB -0.985 31.758 32.600 0.239 0.000 1.356 681 M HN 0.313 nan 8.290 nan 0.000 0.415 682 M N 0.685 120.276 119.600 -0.016 0.000 2.080 682 M HA -0.194 4.277 4.480 -0.015 0.000 0.260 682 M C 1.889 178.186 176.300 -0.005 0.000 1.068 682 M CA 1.939 57.173 55.300 -0.109 0.000 1.109 682 M CB -1.983 30.207 32.600 -0.683 0.000 1.342 682 M HN 0.454 nan 8.290 nan 0.000 0.405 683 N N 0.496 119.203 118.700 0.011 0.000 2.244 683 N HA -0.104 4.627 4.740 -0.015 0.000 0.183 683 N C 1.297 176.843 175.510 0.060 0.000 1.016 683 N CA 1.482 54.559 53.050 0.045 0.000 0.866 683 N CB -0.279 38.239 38.487 0.052 0.000 0.980 683 N HN 0.138 nan 8.380 nan 0.000 0.430 684 V N 0.684 120.637 119.914 0.065 0.000 2.358 684 V HA -0.130 3.981 4.120 -0.015 0.000 0.246 684 V C 2.414 178.559 176.094 0.084 0.000 1.047 684 V CA 1.277 63.617 62.300 0.065 0.000 1.035 684 V CB -0.720 31.141 31.823 0.064 0.000 0.658 684 V HN 0.343 nan 8.190 nan 0.000 0.452 685 L N 0.346 121.644 121.223 0.124 0.000 2.056 685 L HA -0.128 4.203 4.340 -0.015 0.000 0.207 685 L C 2.810 179.804 176.870 0.206 0.000 1.078 685 L CA 1.465 56.396 54.840 0.151 0.000 0.749 685 L CB -0.854 41.339 42.059 0.224 0.000 0.901 685 L HN 0.351 nan 8.230 nan 0.000 0.433 686 A N 0.644 123.599 122.820 0.224 0.000 1.917 686 A HA -0.288 4.023 4.320 -0.015 0.000 0.219 686 A C 2.274 179.928 177.584 0.117 0.000 1.182 686 A CA 2.143 54.289 52.037 0.181 0.000 0.633 686 A CB -0.633 18.425 19.000 0.096 0.000 0.819 686 A HN 0.666 nan 8.150 nan 0.000 0.448 687 Q N -1.391 118.459 119.800 0.083 0.000 2.245 687 Q HA 0.005 4.336 4.340 -0.015 0.000 0.201 687 Q C 2.013 178.042 176.000 0.049 0.000 0.955 687 Q CA 1.283 57.120 55.803 0.057 0.000 0.870 687 Q CB -0.394 28.368 28.738 0.039 0.000 0.945 687 Q HN 0.644 nan 8.270 nan 0.000 0.461 688 M N 0.629 120.260 119.600 0.051 0.000 2.159 688 M HA -0.091 4.380 4.480 -0.015 0.000 0.263 688 M C 2.266 178.588 176.300 0.037 0.000 1.063 688 M CA 1.414 56.734 55.300 0.033 0.000 1.110 688 M CB -0.181 32.433 32.600 0.023 0.000 1.374 688 M HN 0.307 nan 8.290 nan 0.000 0.411 689 I N -0.845 119.760 120.570 0.058 0.000 2.500 689 I HA -0.137 4.024 4.170 -0.015 0.000 0.252 689 I C 1.016 177.171 176.117 0.064 0.000 1.142 689 I CA 1.022 62.358 61.300 0.061 0.000 1.451 689 I CB 0.272 38.330 38.000 0.097 0.000 1.093 689 I HN 0.047 nan 8.210 nan 0.000 0.430 690 S N 1.122 116.861 115.700 0.065 0.000 2.602 690 S HA 0.125 4.586 4.470 -0.015 0.000 0.246 690 S C 0.151 174.773 174.600 0.038 0.000 1.009 690 S CA -0.316 57.915 58.200 0.052 0.000 1.052 690 S CB -0.964 62.268 63.200 0.053 0.000 0.778 690 S HN 0.414 nan 8.310 nan 0.000 0.455 691 N N 1.749 120.469 118.700 0.033 0.000 2.437 691 N HA 0.255 4.986 4.740 -0.015 0.000 0.259 691 N C -1.973 173.547 175.510 0.017 0.000 0.983 691 N CA -2.063 51.000 53.050 0.021 0.000 0.937 691 N CB 1.146 39.642 38.487 0.015 0.000 1.122 691 N HN -0.121 nan 8.380 nan 0.000 0.499 692 P HA -0.143 nan 4.420 nan 0.000 0.216 692 P C 0.172 177.472 177.300 -0.001 0.000 1.150 692 P CA 1.194 64.298 63.100 0.007 0.000 0.843 692 P CB 0.242 31.945 31.700 0.005 0.000 0.787 693 N N -0.948 117.750 118.700 -0.003 0.000 2.398 693 N HA 0.102 4.832 4.740 -0.015 0.000 0.188 693 N C 0.449 175.952 175.510 -0.010 0.000 1.122 693 N CA 0.114 53.158 53.050 -0.010 0.000 0.866 693 N CB -0.381 38.100 38.487 -0.011 0.000 0.970 693 N HN 0.075 nan 8.380 nan 0.000 0.462 694 A N 2.080 124.898 122.820 -0.003 0.000 2.524 694 A HA 0.104 4.415 4.320 -0.015 0.000 0.250 694 A C 0.866 178.448 177.584 -0.003 0.000 1.078 694 A CA -0.429 51.608 52.037 0.000 0.000 0.761 694 A CB 0.027 19.035 19.000 0.012 0.000 1.012 694 A HN 0.377 nan 8.150 nan 0.000 0.500 695 R N 2.503 122.999 120.500 -0.006 0.000 2.784 695 R HA 0.164 4.495 4.340 -0.015 0.000 0.266 695 R C 0.502 176.805 176.300 0.006 0.000 1.044 695 R CA -0.097 55.996 56.100 -0.012 0.000 1.151 695 R CB 0.522 30.816 30.300 -0.010 0.000 1.037 695 R HN 0.759 nan 8.270 nan 0.000 0.478 696 R N 1.030 121.515 120.500 -0.024 0.000 2.105 696 R HA -0.180 4.151 4.340 -0.015 0.000 0.239 696 R C 1.715 178.143 176.300 0.214 0.000 1.135 696 R CA 2.272 58.363 56.100 -0.015 0.000 0.967 696 R CB -0.231 29.935 30.300 -0.224 0.000 0.861 696 R HN 0.719 nan 8.270 nan 0.000 0.442 697 E N 0.300 120.581 120.200 0.134 0.000 2.268 697 E HA -0.107 4.234 4.350 -0.015 0.000 0.195 697 E C 1.670 178.315 176.600 0.076 0.000 0.995 697 E CA 0.504 56.977 56.400 0.123 0.000 0.836 697 E CB 0.023 29.765 29.700 0.071 0.000 0.763 697 E HN 0.112 nan 8.360 nan 0.000 0.491 698 L N 0.992 122.252 121.223 0.061 0.000 2.027 698 L HA -0.150 4.181 4.340 -0.015 0.000 0.206 698 L C 2.195 179.066 176.870 0.002 0.000 1.074 698 L CA 1.684 56.537 54.840 0.022 0.000 0.745 698 L CB -0.972 41.096 42.059 0.015 0.000 0.898 698 L HN 0.143 nan 8.230 nan 0.000 0.433 699 K N -0.006 120.421 120.400 0.045 0.000 2.000 699 K HA -0.193 4.118 4.320 -0.015 0.000 0.218 699 K C -0.347 176.215 176.600 -0.062 0.000 1.053 699 K CA 2.280 58.577 56.287 0.016 0.000 0.946 699 K CB -0.905 31.649 32.500 0.089 0.000 0.723 699 K HN 0.212 nan 8.250 nan 0.000 0.446 700 P HA -0.151 nan 4.420 nan 0.000 0.216 700 P C 0.981 178.208 177.300 -0.123 0.000 1.150 700 P CA 1.836 64.861 63.100 -0.125 0.000 0.837 700 P CB -0.088 31.526 31.700 -0.142 0.000 0.786 701 A N 0.001 122.767 122.820 -0.091 0.000 1.902 701 A HA -0.128 4.183 4.320 -0.015 0.000 0.217 701 A C 2.477 179.956 177.584 -0.175 0.000 1.181 701 A CA 1.949 53.928 52.037 -0.096 0.000 0.623 701 A CB -1.658 17.313 19.000 -0.049 0.000 0.818 701 A HN 0.067 nan 8.150 nan 0.000 0.443 702 V N 0.018 119.798 119.914 -0.223 0.000 2.307 702 V HA -0.250 3.861 4.120 -0.015 0.000 0.245 702 V C 2.563 178.230 176.094 -0.711 0.000 1.045 702 V CA 1.948 63.986 62.300 -0.437 0.000 1.024 702 V CB -0.823 30.773 31.823 -0.378 0.000 0.651 702 V HN 0.564 nan 8.190 nan 0.000 0.449 703 L N -0.126 120.833 121.223 -0.440 0.000 2.079 703 L HA -0.174 4.157 4.340 -0.015 0.000 0.210 703 L C 2.625 179.365 176.870 -0.215 0.000 1.081 703 L CA 1.644 56.310 54.840 -0.290 0.000 0.752 703 L CB -0.588 41.386 42.059 -0.142 0.000 0.896 703 L HN 0.301 nan 8.230 nan 0.000 0.433 704 S N -0.832 114.746 115.700 -0.204 0.000 2.368 704 S HA -0.166 4.295 4.470 -0.015 0.000 0.225 704 S C 1.914 176.432 174.600 -0.136 0.000 1.030 704 S CA 1.179 59.292 58.200 -0.145 0.000 0.999 704 S CB -0.227 62.901 63.200 -0.119 0.000 0.844 704 S HN 0.236 nan 8.310 nan 0.000 0.459 705 V N 1.376 121.171 119.914 -0.198 0.000 2.759 705 V HA -0.085 4.026 4.120 -0.015 0.000 0.256 705 V C 1.619 177.695 176.094 -0.031 0.000 1.080 705 V CA 1.288 63.503 62.300 -0.142 0.000 1.101 705 V CB -0.728 31.005 31.823 -0.150 0.000 0.698 705 V HN 0.377 nan 8.190 nan 0.000 0.477 706 F N 1.254 121.196 119.950 -0.013 0.000 2.171 706 F HA 0.009 4.527 4.527 -0.015 0.000 0.300 706 F C 2.401 178.131 175.800 -0.116 0.000 1.090 706 F CA 1.036 59.056 58.000 0.033 0.000 1.293 706 F CB -1.598 37.455 39.000 0.089 0.000 1.013 706 F HN 0.251 nan 8.300 nan 0.000 0.486 707 G N -0.237 108.588 108.800 0.042 0.000 2.446 707 G HA2 -0.231 3.719 3.960 -0.015 0.000 0.217 707 G HA3 -0.231 3.719 3.960 -0.015 0.000 0.217 707 G C 1.559 176.387 174.900 -0.120 0.000 1.168 707 G CA 1.046 46.098 45.100 -0.081 0.000 0.771 707 G HN 0.267 nan 8.290 nan 0.000 0.551 708 D N 0.540 120.880 120.400 -0.099 0.000 2.087 708 D HA -0.119 4.512 4.640 -0.015 0.000 0.192 708 D C 2.610 178.818 176.300 -0.154 0.000 0.993 708 D CA 1.070 54.994 54.000 -0.127 0.000 0.828 708 D CB -0.080 40.636 40.800 -0.141 0.000 0.968 708 D HN 0.331 nan 8.370 nan 0.000 0.448 709 I N 1.545 122.041 120.570 -0.122 0.000 2.163 709 I HA -0.287 3.874 4.170 -0.015 0.000 0.243 709 I C 2.702 178.782 176.117 -0.063 0.000 1.085 709 I CA 1.168 62.418 61.300 -0.084 0.000 1.347 709 I CB -0.276 37.825 38.000 0.168 0.000 1.044 709 I HN -0.066 nan 8.210 nan 0.000 0.408 710 A N 0.656 123.271 122.820 -0.341 0.000 1.940 710 A HA -0.236 4.075 4.320 -0.015 0.000 0.219 710 A C 2.473 179.905 177.584 -0.252 0.000 1.176 710 A CA 2.285 53.914 52.037 -0.681 0.000 0.631 710 A CB -0.848 17.305 19.000 -1.410 0.000 0.814 710 A HN 0.555 nan 8.150 nan 0.000 0.446 711 S N -0.227 115.362 115.700 -0.185 0.000 2.428 711 S HA -0.108 4.353 4.470 -0.015 0.000 0.230 711 S C 1.398 175.966 174.600 -0.053 0.000 1.014 711 S CA 1.334 59.474 58.200 -0.100 0.000 0.957 711 S CB -0.642 62.502 63.200 -0.093 0.000 0.784 711 S HN 0.669 nan 8.310 nan 0.000 0.499 712 N N 0.209 118.878 118.700 -0.051 0.000 2.415 712 N HA 0.301 5.032 4.740 -0.015 0.000 0.176 712 N C 0.855 176.407 175.510 0.069 0.000 1.042 712 N CA 0.508 53.552 53.050 -0.011 0.000 0.902 712 N CB 0.079 38.529 38.487 -0.061 0.000 0.986 712 N HN 0.265 nan 8.380 nan 0.000 0.447 713 I N -0.676 119.962 120.570 0.114 0.000 4.139 713 I HA 0.283 4.444 4.170 -0.015 0.000 0.335 713 I C 1.385 177.620 176.117 0.197 0.000 1.327 713 I CA 0.114 61.542 61.300 0.214 0.000 1.112 713 I CB -0.204 38.014 38.000 0.363 0.000 1.058 713 I HN 0.131 nan 8.210 nan 0.000 0.396 714 G N 1.367 110.252 108.800 0.143 0.000 2.622 714 G HA2 -0.408 3.543 3.960 -0.015 0.000 0.307 714 G HA3 -0.408 3.543 3.960 -0.015 0.000 0.307 714 G C 1.321 176.330 174.900 0.182 0.000 1.226 714 G CA 0.842 46.021 45.100 0.133 0.000 0.997 714 G HN 0.564 nan 8.290 nan 0.000 0.551 715 A N -0.681 122.227 122.820 0.147 0.000 2.070 715 A HA 0.082 4.393 4.320 -0.015 0.000 0.220 715 A C 1.883 179.557 177.584 0.150 0.000 1.159 715 A CA 2.215 54.336 52.037 0.139 0.000 0.656 715 A CB -0.411 18.645 19.000 0.094 0.000 0.800 715 A HN 0.643 nan 8.150 nan 0.000 0.453 716 D N -1.514 118.990 120.400 0.173 0.000 2.378 716 D HA -0.072 4.559 4.640 -0.015 0.000 0.222 716 D C 1.027 177.483 176.300 0.261 0.000 0.980 716 D CA 0.606 54.710 54.000 0.174 0.000 0.907 716 D CB -0.093 40.819 40.800 0.186 0.000 0.899 716 D HN 0.552 nan 8.370 nan 0.000 0.527 717 F N 0.976 121.027 119.950 0.169 0.000 2.710 717 F HA 0.104 4.622 4.527 -0.015 0.000 0.298 717 F C 1.974 177.845 175.800 0.118 0.000 1.137 717 F CA 0.099 58.249 58.000 0.250 0.000 1.444 717 F CB 0.017 39.140 39.000 0.205 0.000 1.111 717 F HN -0.168 nan 8.300 nan 0.000 0.580 718 I N 1.200 121.822 120.570 0.085 0.000 2.208 718 I HA -0.241 3.919 4.170 -0.015 0.000 0.245 718 I C -0.560 175.454 176.117 -0.172 0.000 1.097 718 I CA 1.191 62.501 61.300 0.016 0.000 1.363 718 I CB -1.653 36.379 38.000 0.053 0.000 1.051 718 I HN 0.066 nan 8.210 nan 0.000 0.413 719 P HA -0.173 nan 4.420 nan 0.000 0.219 719 P C 0.981 177.940 177.300 -0.568 0.000 1.146 719 P CA 1.582 64.391 63.100 -0.486 0.000 0.808 719 P CB -0.139 31.165 31.700 -0.662 0.000 0.779 720 Y N -2.247 117.826 120.300 -0.378 0.000 2.482 720 Y HA 0.092 4.633 4.550 -0.015 0.000 0.270 720 Y C 2.063 177.677 175.900 -0.478 0.000 1.152 720 Y CA -0.532 57.261 58.100 -0.511 0.000 1.292 720 Y CB -0.660 37.308 38.460 -0.821 0.000 1.070 720 Y HN -0.144 nan 8.280 nan 0.000 0.528 721 L N 1.243 122.315 121.223 -0.252 0.000 2.013 721 L HA -0.277 4.054 4.340 -0.015 0.000 0.212 721 L C 2.137 178.937 176.870 -0.117 0.000 1.073 721 L CA 1.793 56.584 54.840 -0.081 0.000 0.753 721 L CB -0.950 41.161 42.059 0.086 0.000 0.890 721 L HN 0.360 nan 8.230 nan 0.000 0.432 722 N N -1.017 117.666 118.700 -0.029 0.000 2.142 722 N HA -0.188 4.543 4.740 -0.015 0.000 0.186 722 N C 1.302 176.799 175.510 -0.021 0.000 1.023 722 N CA 1.467 54.543 53.050 0.043 0.000 0.852 722 N CB 0.059 38.606 38.487 0.100 0.000 0.998 722 N HN 0.387 nan 8.380 nan 0.000 0.424 723 D N 0.822 121.189 120.400 -0.054 0.000 2.117 723 D HA -0.071 4.560 4.640 -0.015 0.000 0.198 723 D C 2.007 178.244 176.300 -0.105 0.000 0.982 723 D CA 0.493 54.458 54.000 -0.059 0.000 0.828 723 D CB -0.118 40.647 40.800 -0.059 0.000 0.967 723 D HN 0.282 nan 8.370 nan 0.000 0.464 724 I N 0.693 121.153 120.570 -0.184 0.000 2.252 724 I HA -0.142 4.019 4.170 -0.015 0.000 0.245 724 I C 2.182 178.238 176.117 -0.102 0.000 1.102 724 I CA 0.764 61.919 61.300 -0.242 0.000 1.385 724 I CB -0.759 37.069 38.000 -0.287 0.000 1.064 724 I HN 0.053 nan 8.210 nan 0.000 0.414 725 M N 0.523 120.041 119.600 -0.138 0.000 2.159 725 M HA -0.134 4.337 4.480 -0.015 0.000 0.263 725 M C 2.436 178.728 176.300 -0.013 0.000 1.063 725 M CA 1.683 56.898 55.300 -0.142 0.000 1.110 725 M CB -1.399 30.855 32.600 -0.578 0.000 1.374 725 M HN 0.249 nan 8.290 nan 0.000 0.411 726 A N 0.081 122.899 122.820 -0.003 0.000 1.898 726 A HA -0.095 4.216 4.320 -0.015 0.000 0.216 726 A C 2.289 179.899 177.584 0.045 0.000 1.181 726 A CA 1.110 53.172 52.037 0.041 0.000 0.620 726 A CB -0.814 18.211 19.000 0.041 0.000 0.819 726 A HN 0.470 nan 8.150 nan 0.000 0.442 727 L N -0.826 120.417 121.223 0.033 0.000 2.046 727 L HA -0.252 4.078 4.340 -0.015 0.000 0.208 727 L C 2.689 179.593 176.870 0.056 0.000 1.077 727 L CA 1.285 56.162 54.840 0.062 0.000 0.747 727 L CB -0.743 41.380 42.059 0.106 0.000 0.896 727 L HN 0.476 nan 8.230 nan 0.000 0.432 728 C N -1.196 118.127 119.300 0.039 0.000 2.446 728 C HA -0.096 4.355 4.460 -0.015 0.000 0.277 728 C C 2.832 177.850 174.990 0.047 0.000 1.275 728 C CA 0.290 59.299 59.018 -0.015 0.000 1.727 728 C CB -0.427 27.281 27.740 -0.054 0.000 2.010 728 C HN 0.331 nan 8.230 nan 0.000 0.486 729 V N 1.562 121.540 119.914 0.107 0.000 2.287 729 V HA -0.246 3.865 4.120 -0.015 0.000 0.248 729 V C 2.734 178.882 176.094 0.090 0.000 1.053 729 V CA 2.364 64.738 62.300 0.124 0.000 1.027 729 V CB -1.305 30.590 31.823 0.119 0.000 0.646 729 V HN 0.603 nan 8.190 nan 0.000 0.447 730 A N -0.124 122.739 122.820 0.071 0.000 1.902 730 A HA -0.129 4.182 4.320 -0.015 0.000 0.217 730 A C 2.420 180.037 177.584 0.055 0.000 1.181 730 A CA 2.201 54.275 52.037 0.060 0.000 0.623 730 A CB -0.831 18.203 19.000 0.056 0.000 0.818 730 A HN 0.587 nan 8.150 nan 0.000 0.443 731 A N 0.097 122.943 122.820 0.044 0.000 1.902 731 A HA -0.215 4.096 4.320 -0.015 0.000 0.217 731 A C 2.224 179.833 177.584 0.041 0.000 1.181 731 A CA 1.785 53.839 52.037 0.028 0.000 0.623 731 A CB -0.655 18.341 19.000 -0.006 0.000 0.818 731 A HN 0.783 nan 8.150 nan 0.000 0.443 732 Q N -0.928 118.912 119.800 0.067 0.000 2.369 732 Q HA -0.095 4.236 4.340 -0.015 0.000 0.206 732 Q C 0.597 176.661 176.000 0.107 0.000 0.963 732 Q CA 1.412 57.298 55.803 0.137 0.000 0.894 732 Q CB -0.249 28.644 28.738 0.258 0.000 0.965 732 Q HN 0.536 nan 8.270 nan 0.000 0.475 733 N N 0.664 119.412 118.700 0.080 0.000 2.280 733 N HA 0.056 4.787 4.740 -0.015 0.000 0.192 733 N C -0.459 175.078 175.510 0.046 0.000 1.109 733 N CA 0.346 53.431 53.050 0.058 0.000 0.855 733 N CB 0.675 39.196 38.487 0.057 0.000 0.974 733 N HN 0.139 nan 8.380 nan 0.000 0.482 734 T N 1.892 116.476 114.554 0.049 0.000 2.851 734 T HA 0.159 4.500 4.350 -0.015 0.000 0.298 734 T C 0.698 175.424 174.700 0.043 0.000 0.977 734 T CA -0.037 62.092 62.100 0.048 0.000 1.126 734 T CB 1.413 70.316 68.868 0.058 0.000 0.916 734 T HN -0.143 nan 8.240 nan 0.000 0.529 735 K N 2.741 123.165 120.400 0.041 0.000 2.132 735 K HA 0.440 4.751 4.320 -0.015 0.000 0.241 735 K C -2.449 174.181 176.600 0.050 0.000 1.000 735 K CA -2.428 53.880 56.287 0.035 0.000 0.911 735 K CB 0.237 32.752 32.500 0.024 0.000 1.093 735 K HN 0.288 nan 8.250 nan 0.000 0.460 736 P HA 0.070 nan 4.420 nan 0.000 0.266 736 P C 0.214 177.544 177.300 0.051 0.000 1.195 736 P CA 0.189 63.328 63.100 0.064 0.000 0.768 736 P CB 0.464 32.192 31.700 0.046 0.000 0.838 737 E N 1.317 121.550 120.200 0.056 0.000 2.160 737 E HA -0.177 4.164 4.350 -0.015 0.000 0.195 737 E C 1.057 177.666 176.600 0.014 0.000 0.991 737 E CA 1.163 57.579 56.400 0.027 0.000 0.810 737 E CB 0.040 29.743 29.700 0.004 0.000 0.742 737 E HN 0.635 nan 8.360 nan 0.000 0.466 738 N N -3.078 115.631 118.700 0.015 0.000 3.356 738 N HA 0.149 4.880 4.740 -0.015 0.000 0.263 738 N C 0.912 176.428 175.510 0.010 0.000 1.466 738 N CA -0.045 53.010 53.050 0.008 0.000 0.870 738 N CB 0.645 39.132 38.487 0.000 0.000 3.225 738 N HN -0.015 nan 8.380 nan 0.000 0.388 739 G N 0.232 109.036 108.800 0.006 0.000 3.146 739 G HA2 0.181 4.132 3.960 -0.015 0.000 0.238 739 G HA3 0.181 4.132 3.960 -0.015 0.000 0.238 739 G C 0.209 175.112 174.900 0.006 0.000 1.022 739 G CA 0.235 45.338 45.100 0.006 0.000 0.880 739 G HN 0.658 nan 8.290 nan 0.000 0.533 740 T N 0.044 114.601 114.554 0.005 0.000 2.795 740 T HA 0.236 4.577 4.350 -0.015 0.000 0.314 740 T C 1.685 176.390 174.700 0.010 0.000 1.069 740 T CA -0.424 61.678 62.100 0.005 0.000 1.071 740 T CB 1.592 70.460 68.868 0.001 0.000 0.988 740 T HN -0.077 nan 8.240 nan 0.000 0.543 741 L N 0.636 121.864 121.223 0.007 0.000 1.990 741 L HA -0.172 4.159 4.340 -0.015 0.000 0.213 741 L C 3.026 179.909 176.870 0.021 0.000 1.072 741 L CA 1.650 56.496 54.840 0.010 0.000 0.755 741 L CB -0.520 41.543 42.059 0.006 0.000 0.889 741 L HN 0.729 nan 8.230 nan 0.000 0.432 742 E N -0.065 120.146 120.200 0.019 0.000 2.065 742 E HA -0.300 4.041 4.350 -0.015 0.000 0.201 742 E C 2.158 178.789 176.600 0.052 0.000 1.016 742 E CA 1.698 58.114 56.400 0.027 0.000 0.818 742 E CB -0.495 29.208 29.700 0.006 0.000 0.749 742 E HN 0.579 nan 8.360 nan 0.000 0.453 743 A N 0.885 123.728 122.820 0.039 0.000 2.015 743 A HA -0.081 4.230 4.320 -0.015 0.000 0.219 743 A C 2.214 179.858 177.584 0.099 0.000 1.163 743 A CA 0.990 53.063 52.037 0.062 0.000 0.646 743 A CB -0.376 18.642 19.000 0.030 0.000 0.806 743 A HN 0.209 nan 8.150 nan 0.000 0.448 744 L N -0.264 120.996 121.223 0.063 0.000 2.068 744 L HA -0.031 4.300 4.340 -0.015 0.000 0.204 744 L C 1.530 178.429 176.870 0.050 0.000 1.076 744 L CA 2.194 57.063 54.840 0.048 0.000 0.753 744 L CB -0.506 41.565 42.059 0.020 0.000 0.910 744 L HN 0.245 nan 8.230 nan 0.000 0.439 745 D N -1.253 119.179 120.400 0.053 0.000 2.149 745 D HA -0.273 4.358 4.640 -0.015 0.000 0.198 745 D C 1.932 178.272 176.300 0.067 0.000 0.990 745 D CA 1.664 55.692 54.000 0.046 0.000 0.839 745 D CB -0.267 40.561 40.800 0.046 0.000 0.948 745 D HN 0.515 nan 8.370 nan 0.000 0.460 746 Y N 1.155 121.452 120.300 -0.005 0.000 2.220 746 Y HA -0.147 4.394 4.550 -0.016 0.000 0.291 746 Y C 2.360 178.261 175.900 0.000 0.000 1.129 746 Y CA 1.549 59.647 58.100 -0.003 0.000 1.161 746 Y CB -0.153 38.305 38.460 -0.004 0.000 0.997 746 Y HN -0.091 nan 8.280 nan 0.000 0.522 747 Q N 0.301 120.114 119.800 0.020 0.000 2.096 747 Q HA -0.231 4.100 4.340 -0.015 0.000 0.204 747 Q C 2.201 178.134 176.000 -0.111 0.000 0.982 747 Q CA 2.415 58.181 55.803 -0.061 0.000 0.850 747 Q CB -0.330 28.422 28.738 0.025 0.000 0.901 747 Q HN 0.664 nan 8.270 nan 0.000 0.422 748 I N 0.755 121.284 120.570 -0.069 0.000 2.315 748 I HA -0.264 3.897 4.170 -0.015 0.000 0.248 748 I C 2.596 178.662 176.117 -0.086 0.000 1.117 748 I CA 1.122 62.387 61.300 -0.058 0.000 1.404 748 I CB -0.212 37.766 38.000 -0.037 0.000 1.071 748 I HN 0.156 nan 8.210 nan 0.000 0.419 749 K N 0.514 120.832 120.400 -0.136 0.000 2.103 749 K HA -0.175 4.136 4.320 -0.015 0.000 0.207 749 K C 2.064 178.532 176.600 -0.219 0.000 1.048 749 K CA 1.443 57.634 56.287 -0.161 0.000 0.930 749 K CB 0.038 32.436 32.500 -0.169 0.000 0.716 749 K HN 0.146 nan 8.250 nan 0.000 0.444 750 V N 1.604 121.317 119.914 -0.335 0.000 2.307 750 V HA -0.252 3.859 4.120 -0.015 0.000 0.245 750 V C 2.297 178.312 176.094 -0.130 0.000 1.045 750 V CA 1.544 63.676 62.300 -0.280 0.000 1.024 750 V CB -0.346 31.286 31.823 -0.318 0.000 0.651 750 V HN 0.306 nan 8.190 nan 0.000 0.449 751 L N -0.329 120.863 121.223 -0.052 0.000 2.083 751 L HA -0.210 4.121 4.340 -0.015 0.000 0.209 751 L C 2.552 179.503 176.870 0.136 0.000 1.083 751 L CA 1.689 56.596 54.840 0.111 0.000 0.752 751 L CB -0.607 41.524 42.059 0.120 0.000 0.899 751 L HN 0.379 nan 8.230 nan 0.000 0.433 752 E N -0.141 120.084 120.200 0.041 0.000 2.153 752 E HA -0.197 4.143 4.350 -0.015 0.000 0.194 752 E C 2.246 178.821 176.600 -0.042 0.000 0.988 752 E CA 0.997 57.417 56.400 0.033 0.000 0.811 752 E CB -0.096 29.607 29.700 0.004 0.000 0.746 752 E HN 0.519 nan 8.360 nan 0.000 0.466 753 A N 0.614 123.374 122.820 -0.099 0.000 1.930 753 A HA -0.078 4.233 4.320 -0.015 0.000 0.215 753 A C 2.418 179.861 177.584 -0.234 0.000 1.176 753 A CA 0.648 52.598 52.037 -0.146 0.000 0.632 753 A CB -0.326 18.584 19.000 -0.150 0.000 0.819 753 A HN 0.095 nan 8.150 nan 0.000 0.445 754 V N 0.202 119.924 119.914 -0.320 0.000 2.343 754 V HA -0.270 3.841 4.120 -0.015 0.000 0.247 754 V C 2.471 178.032 176.094 -0.887 0.000 1.051 754 V CA 1.847 63.743 62.300 -0.674 0.000 1.036 754 V CB -0.810 30.533 31.823 -0.801 0.000 0.654 754 V HN 0.614 nan 8.190 nan 0.000 0.451 755 L N -0.073 120.793 121.223 -0.595 0.000 1.997 755 L HA -0.286 4.045 4.340 -0.015 0.000 0.216 755 L C 2.467 179.236 176.870 -0.170 0.000 1.074 755 L CA 2.222 56.903 54.840 -0.265 0.000 0.763 755 L CB -0.578 41.537 42.059 0.092 0.000 0.890 755 L HN 0.399 nan 8.230 nan 0.000 0.434 756 D N -0.312 119.998 120.400 -0.149 0.000 2.123 756 D HA -0.176 4.455 4.640 -0.015 0.000 0.196 756 D C 2.135 178.368 176.300 -0.112 0.000 0.992 756 D CA 1.460 55.400 54.000 -0.100 0.000 0.833 756 D CB -0.088 40.654 40.800 -0.096 0.000 0.954 756 D HN 0.452 nan 8.370 nan 0.000 0.455 757 A N 0.427 123.139 122.820 -0.179 0.000 1.865 757 A HA -0.228 4.083 4.320 -0.015 0.000 0.217 757 A C 2.081 179.642 177.584 -0.039 0.000 1.191 757 A CA 1.300 53.261 52.037 -0.126 0.000 0.623 757 A CB -1.103 17.777 19.000 -0.199 0.000 0.826 757 A HN 0.208 nan 8.150 nan 0.000 0.444 758 Y N -0.117 120.095 120.300 -0.146 0.000 2.242 758 Y HA -0.100 4.441 4.550 -0.015 0.000 0.291 758 Y C 2.673 178.535 175.900 -0.064 0.000 1.137 758 Y CA 0.485 58.514 58.100 -0.118 0.000 1.181 758 Y CB -1.180 37.179 38.460 -0.167 0.000 0.989 758 Y HN 0.091 nan 8.280 nan 0.000 0.527 759 V N -0.394 119.576 119.914 0.095 0.000 2.295 759 V HA -0.240 3.871 4.120 -0.015 0.000 0.246 759 V C 2.594 178.697 176.094 0.015 0.000 1.049 759 V CA 1.971 64.305 62.300 0.057 0.000 1.024 759 V CB -1.416 30.428 31.823 0.035 0.000 0.648 759 V HN 0.490 nan 8.190 nan 0.000 0.447 760 G N -0.234 108.550 108.800 -0.026 0.000 2.418 760 G HA2 -0.212 3.739 3.960 -0.015 0.000 0.217 760 G HA3 -0.212 3.739 3.960 -0.015 0.000 0.217 760 G C 1.598 176.432 174.900 -0.110 0.000 1.158 760 G CA 1.041 46.093 45.100 -0.080 0.000 0.771 760 G HN 0.483 nan 8.290 nan 0.000 0.545 761 I N 0.263 120.775 120.570 -0.097 0.000 2.202 761 I HA -0.140 4.021 4.170 -0.015 0.000 0.242 761 I C 2.791 178.913 176.117 0.007 0.000 1.091 761 I CA 0.460 61.696 61.300 -0.106 0.000 1.368 761 I CB -0.231 37.757 38.000 -0.019 0.000 1.058 761 I HN 0.019 nan 8.210 nan 0.000 0.410 762 V N 1.069 121.016 119.914 0.056 0.000 2.332 762 V HA -0.332 3.779 4.120 -0.015 0.000 0.248 762 V C 2.698 178.852 176.094 0.099 0.000 1.055 762 V CA 2.072 64.431 62.300 0.098 0.000 1.038 762 V CB -1.099 30.792 31.823 0.114 0.000 0.651 762 V HN 0.512 nan 8.190 nan 0.000 0.450 763 A N 0.441 123.293 122.820 0.052 0.000 1.902 763 A HA -0.083 4.228 4.320 -0.015 0.000 0.217 763 A C 2.426 180.034 177.584 0.040 0.000 1.181 763 A CA 1.952 54.007 52.037 0.029 0.000 0.623 763 A CB -1.199 17.788 19.000 -0.020 0.000 0.818 763 A HN 0.529 nan 8.150 nan 0.000 0.443 764 G N -0.349 108.458 108.800 0.011 0.000 2.402 764 G HA2 -0.066 3.885 3.960 -0.015 0.000 0.216 764 G HA3 -0.066 3.885 3.960 -0.015 0.000 0.216 764 G C 1.229 176.180 174.900 0.086 0.000 1.162 764 G CA 0.883 45.996 45.100 0.021 0.000 0.777 764 G HN 0.441 nan 8.290 nan 0.000 0.539 765 L N 0.574 121.858 121.223 0.102 0.000 2.653 765 L HA 0.192 4.523 4.340 -0.015 0.000 0.232 765 L C 1.992 178.925 176.870 0.104 0.000 1.169 765 L CA -0.292 54.620 54.840 0.119 0.000 0.951 765 L CB -0.461 41.683 42.059 0.142 0.000 1.181 765 L HN 0.315 nan 8.230 nan 0.000 0.460 766 H N 1.593 120.677 119.070 0.022 0.000 2.289 766 H HA -0.227 4.320 4.556 -0.015 0.000 0.294 766 H C 0.812 176.131 175.328 -0.016 0.000 1.095 766 H CA 2.166 58.215 56.048 0.001 0.000 1.256 766 H CB 0.423 30.188 29.762 0.005 0.000 1.359 766 H HN 0.409 nan 8.280 nan 0.000 0.487 767 D N 0.371 120.794 120.400 0.038 0.000 2.336 767 D HA 0.003 4.633 4.640 -0.015 0.000 0.229 767 D C 0.284 176.567 176.300 -0.030 0.000 1.061 767 D CA 0.539 54.525 54.000 -0.023 0.000 0.875 767 D CB 0.210 41.039 40.800 0.049 0.000 0.904 767 D HN 0.239 nan 8.370 nan 0.000 0.525 768 K N 0.709 121.098 120.400 -0.017 0.000 3.309 768 K HA 0.165 4.476 4.320 -0.015 0.000 0.187 768 K C -1.990 174.625 176.600 0.024 0.000 1.085 768 K CA -1.188 55.109 56.287 0.018 0.000 0.867 768 K CB 2.053 34.595 32.500 0.070 0.000 0.846 768 K HN -0.055 nan 8.250 nan 0.000 0.522 769 P HA -0.233 nan 4.420 nan 0.000 0.216 769 P C 1.244 178.670 177.300 0.209 0.000 1.150 769 P CA 1.368 64.395 63.100 -0.121 0.000 0.837 769 P CB 0.296 31.668 31.700 -0.547 0.000 0.786 770 E N 1.047 121.345 120.200 0.165 0.000 2.130 770 E HA -0.212 4.129 4.350 -0.015 0.000 0.196 770 E C 1.928 178.686 176.600 0.262 0.000 0.998 770 E CA 1.928 58.459 56.400 0.219 0.000 0.806 770 E CB -1.458 28.305 29.700 0.104 0.000 0.738 770 E HN 0.220 nan 8.360 nan 0.000 0.459 771 A N 1.233 124.183 122.820 0.217 0.000 1.930 771 A HA -0.032 4.279 4.320 -0.015 0.000 0.217 771 A C 2.260 180.039 177.584 0.326 0.000 1.175 771 A CA 1.344 53.522 52.037 0.234 0.000 0.627 771 A CB -0.526 18.593 19.000 0.198 0.000 0.815 771 A HN 0.279 nan 8.150 nan 0.000 0.443 772 L N -1.812 119.627 121.223 0.359 0.000 2.341 772 L HA 0.114 4.445 4.340 -0.015 0.000 0.214 772 L C 1.984 179.093 176.870 0.399 0.000 1.115 772 L CA 1.253 56.345 54.840 0.419 0.000 0.820 772 L CB -0.662 41.626 42.059 0.381 0.000 0.944 772 L HN 0.398 nan 8.230 nan 0.000 0.452 773 F N 2.283 122.406 119.950 0.287 0.000 2.087 773 F HA -0.171 4.347 4.527 -0.015 0.000 0.299 773 F C -0.631 175.111 175.800 -0.097 0.000 1.100 773 F CA 1.841 59.884 58.000 0.071 0.000 1.226 773 F CB -1.800 37.252 39.000 0.086 0.000 0.983 773 F HN 0.213 nan 8.300 nan 0.000 0.479 774 P HA -0.150 nan 4.420 nan 0.000 0.228 774 P C 0.550 177.444 177.300 -0.678 0.000 1.151 774 P CA 1.674 64.337 63.100 -0.728 0.000 0.770 774 P CB -0.431 30.818 31.700 -0.751 0.000 0.786 775 Y N -2.403 117.793 120.300 -0.172 0.000 2.481 775 Y HA 0.104 4.645 4.550 -0.015 0.000 0.247 775 Y C 2.085 177.868 175.900 -0.195 0.000 1.151 775 Y CA -0.345 57.671 58.100 -0.139 0.000 1.238 775 Y CB -0.028 38.384 38.460 -0.080 0.000 1.179 775 Y HN -0.305 nan 8.280 nan 0.000 0.524 776 V N -0.124 119.699 119.914 -0.152 0.000 2.490 776 V HA -0.240 3.871 4.120 -0.015 0.000 0.250 776 V C 2.405 178.291 176.094 -0.347 0.000 1.061 776 V CA 2.210 64.378 62.300 -0.221 0.000 1.064 776 V CB -0.996 30.621 31.823 -0.344 0.000 0.670 776 V HN 0.617 nan 8.190 nan 0.000 0.461 777 G N -0.454 108.161 108.800 -0.308 0.000 2.418 777 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.217 777 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.217 777 G C 1.704 176.624 174.900 0.033 0.000 1.158 777 G CA 1.518 46.549 45.100 -0.114 0.000 0.771 777 G HN 0.463 nan 8.290 nan 0.000 0.545 778 T N 1.179 115.748 114.554 0.025 0.000 2.777 778 T HA -0.004 4.337 4.350 -0.015 0.000 0.266 778 T C 2.405 177.118 174.700 0.022 0.000 1.040 778 T CA 0.810 62.950 62.100 0.067 0.000 1.141 778 T CB -0.123 68.802 68.868 0.094 0.000 0.868 778 T HN 0.229 nan 8.240 nan 0.000 0.444 779 I N 0.216 120.693 120.570 -0.155 0.000 2.163 779 I HA -0.155 4.006 4.170 -0.015 0.000 0.243 779 I C 1.959 178.080 176.117 0.007 0.000 1.085 779 I CA 1.478 62.609 61.300 -0.281 0.000 1.347 779 I CB -0.360 37.385 38.000 -0.425 0.000 1.044 779 I HN 0.153 nan 8.210 nan 0.000 0.408 780 F N 0.759 120.658 119.950 -0.085 0.000 2.216 780 F HA -0.236 4.282 4.527 -0.015 0.000 0.300 780 F C 2.670 178.544 175.800 0.123 0.000 1.085 780 F CA 1.443 59.481 58.000 0.062 0.000 1.326 780 F CB -0.520 38.465 39.000 -0.025 0.000 1.027 780 F HN 0.068 nan 8.300 nan 0.000 0.497 781 Q N -0.909 119.036 119.800 0.241 0.000 2.112 781 Q HA -0.259 4.072 4.340 -0.015 0.000 0.206 781 Q C 2.160 178.192 176.000 0.054 0.000 0.987 781 Q CA 2.063 57.933 55.803 0.111 0.000 0.858 781 Q CB -0.435 28.376 28.738 0.122 0.000 0.905 781 Q HN 0.465 nan 8.270 nan 0.000 0.420 782 F N 0.663 120.636 119.950 0.039 0.000 2.075 782 F HA -0.185 4.333 4.527 -0.015 0.000 0.297 782 F C 1.805 177.585 175.800 -0.033 0.000 1.113 782 F CA 1.304 59.334 58.000 0.051 0.000 1.218 782 F CB -0.187 38.958 39.000 0.241 0.000 0.984 782 F HN -0.009 nan 8.300 nan 0.000 0.472 783 I N 0.498 121.052 120.570 -0.027 0.000 2.248 783 I HA -0.370 3.791 4.170 -0.015 0.000 0.248 783 I C 2.662 178.571 176.117 -0.348 0.000 1.107 783 I CA 1.250 62.458 61.300 -0.154 0.000 1.373 783 I CB -1.002 36.968 38.000 -0.050 0.000 1.055 783 I HN 0.280 nan 8.210 nan 0.000 0.418 784 A N 0.180 122.687 122.820 -0.522 0.000 1.940 784 A HA -0.269 4.042 4.320 -0.015 0.000 0.219 784 A C 2.259 179.479 177.584 -0.608 0.000 1.176 784 A CA 1.660 53.081 52.037 -1.028 0.000 0.631 784 A CB -0.556 17.733 19.000 -1.185 0.000 0.814 784 A HN 0.504 nan 8.150 nan 0.000 0.446 785 Q N -0.613 118.898 119.800 -0.483 0.000 2.119 785 Q HA -0.090 4.241 4.340 -0.015 0.000 0.201 785 Q C 2.128 177.913 176.000 -0.359 0.000 0.972 785 Q CA 1.482 57.055 55.803 -0.383 0.000 0.847 785 Q CB -0.330 28.182 28.738 -0.376 0.000 0.903 785 Q HN 0.503 nan 8.270 nan 0.000 0.433 786 V N 1.137 120.758 119.914 -0.488 0.000 2.332 786 V HA -0.300 3.811 4.120 -0.015 0.000 0.248 786 V C 2.293 178.296 176.094 -0.153 0.000 1.055 786 V CA 1.874 63.984 62.300 -0.318 0.000 1.038 786 V CB -1.005 30.615 31.823 -0.339 0.000 0.651 786 V HN 0.405 nan 8.190 nan 0.000 0.450 787 A N -0.614 121.975 122.820 -0.385 0.000 1.978 787 A HA -0.276 4.035 4.320 -0.015 0.000 0.220 787 A C 2.236 179.849 177.584 0.050 0.000 1.170 787 A CA 2.175 54.032 52.037 -0.300 0.000 0.636 787 A CB -0.395 18.407 19.000 -0.330 0.000 0.810 787 A HN 0.632 nan 8.150 nan 0.000 0.448 788 E N -0.491 119.707 120.200 -0.005 0.000 2.140 788 E HA -0.058 4.283 4.350 -0.015 0.000 0.191 788 E C -0.047 176.651 176.600 0.163 0.000 0.973 788 E CA 0.309 56.746 56.400 0.061 0.000 0.829 788 E CB 0.168 29.822 29.700 -0.077 0.000 0.781 788 E HN 0.416 nan 8.360 nan 0.000 0.466 789 D N -0.155 120.285 120.400 0.067 0.000 2.317 789 D HA 0.068 4.699 4.640 -0.015 0.000 0.234 789 D C -1.873 174.228 176.300 -0.332 0.000 1.112 789 D CA -2.371 51.588 54.000 -0.068 0.000 0.840 789 D CB 1.542 42.285 40.800 -0.095 0.000 1.078 789 D HN -0.067 nan 8.370 nan 0.000 0.486 790 P HA -0.166 nan 4.420 nan 0.000 0.217 790 P C 1.178 178.122 177.300 -0.592 0.000 1.148 790 P CA 1.052 63.510 63.100 -1.069 0.000 0.828 790 P CB 0.378 31.796 31.700 -0.468 0.000 0.783 791 Q N -1.287 118.328 119.800 -0.309 0.000 2.364 791 Q HA -0.032 4.299 4.340 -0.015 0.000 0.207 791 Q C 1.877 177.804 176.000 -0.122 0.000 0.970 791 Q CA 0.810 56.512 55.803 -0.169 0.000 0.888 791 Q CB -0.321 28.353 28.738 -0.107 0.000 0.951 791 Q HN 0.248 nan 8.270 nan 0.000 0.469 792 L N -1.452 119.687 121.223 -0.139 0.000 2.265 792 L HA -0.009 4.322 4.340 -0.015 0.000 0.195 792 L C 2.090 179.003 176.870 0.071 0.000 1.083 792 L CA 0.448 55.268 54.840 -0.033 0.000 0.798 792 L CB -0.619 41.413 42.059 -0.044 0.000 0.989 792 L HN 0.319 nan 8.230 nan 0.000 0.472 793 Y N -0.030 120.340 120.300 0.117 0.000 2.352 793 Y HA -0.127 4.414 4.550 -0.015 0.000 0.292 793 Y C 2.522 178.631 175.900 0.348 0.000 1.136 793 Y CA 0.819 59.069 58.100 0.250 0.000 1.227 793 Y CB -1.380 37.270 38.460 0.316 0.000 0.991 793 Y HN 0.168 nan 8.280 nan 0.000 0.545 794 S N -1.005 114.826 115.700 0.218 0.000 2.562 794 S HA -0.003 4.458 4.470 -0.015 0.000 0.221 794 S C 0.532 175.239 174.600 0.180 0.000 0.975 794 S CA -0.189 58.149 58.200 0.230 0.000 0.918 794 S CB -0.429 62.756 63.200 -0.026 0.000 0.772 794 S HN 0.364 nan 8.310 nan 0.000 0.531 795 E N 2.440 122.744 120.200 0.173 0.000 2.217 795 E HA 0.110 4.451 4.350 -0.015 0.000 0.279 795 E C 0.342 177.091 176.600 0.249 0.000 1.068 795 E CA 0.005 56.495 56.400 0.150 0.000 0.882 795 E CB 1.196 30.954 29.700 0.096 0.000 1.039 795 E HN 0.393 nan 8.360 nan 0.000 0.418 796 D N 3.807 124.353 120.400 0.243 0.000 2.133 796 D HA -0.202 4.429 4.640 -0.015 0.000 0.195 796 D C 1.573 177.992 176.300 0.199 0.000 0.997 796 D CA 1.828 56.019 54.000 0.319 0.000 0.840 796 D CB 0.348 41.282 40.800 0.224 0.000 0.947 796 D HN 0.504 nan 8.370 nan 0.000 0.452 797 A N -0.860 122.042 122.820 0.136 0.000 1.898 797 A HA -0.125 4.186 4.320 -0.015 0.000 0.216 797 A C 2.376 180.023 177.584 0.105 0.000 1.181 797 A CA 2.120 54.215 52.037 0.096 0.000 0.620 797 A CB -0.892 18.149 19.000 0.069 0.000 0.819 797 A HN 0.318 nan 8.150 nan 0.000 0.442 798 T N -0.428 114.203 114.554 0.128 0.000 2.812 798 T HA -0.070 4.271 4.350 -0.015 0.000 0.264 798 T C 2.260 177.060 174.700 0.166 0.000 1.042 798 T CA 1.586 63.770 62.100 0.139 0.000 1.140 798 T CB -0.230 68.720 68.868 0.137 0.000 0.870 798 T HN 0.423 nan 8.240 nan 0.000 0.445 799 S N 0.662 116.471 115.700 0.181 0.000 2.368 799 S HA -0.035 4.426 4.470 -0.015 0.000 0.224 799 S C 2.123 176.753 174.600 0.049 0.000 1.029 799 S CA 0.899 59.185 58.200 0.143 0.000 0.988 799 S CB -0.167 63.007 63.200 -0.045 0.000 0.838 799 S HN 0.401 nan 8.310 nan 0.000 0.462 800 R N 1.234 121.752 120.500 0.030 0.000 2.096 800 R HA -0.052 4.279 4.340 -0.015 0.000 0.235 800 R C 2.185 178.525 176.300 0.068 0.000 1.127 800 R CA 1.416 57.531 56.100 0.024 0.000 0.968 800 R CB -0.427 29.893 30.300 0.034 0.000 0.861 800 R HN 0.356 nan 8.270 nan 0.000 0.440 801 A N 0.387 123.262 122.820 0.091 0.000 1.897 801 A HA 0.002 4.313 4.320 -0.015 0.000 0.215 801 A C 2.341 180.008 177.584 0.138 0.000 1.181 801 A CA 1.398 53.496 52.037 0.103 0.000 0.620 801 A CB -0.789 18.271 19.000 0.100 0.000 0.821 801 A HN 0.517 nan 8.150 nan 0.000 0.443 802 A N -0.677 122.246 122.820 0.172 0.000 1.877 802 A HA -0.008 4.303 4.320 -0.015 0.000 0.216 802 A C 2.224 179.929 177.584 0.202 0.000 1.186 802 A CA 1.746 53.903 52.037 0.201 0.000 0.620 802 A CB -1.001 18.137 19.000 0.231 0.000 0.822 802 A HN 0.381 nan 8.150 nan 0.000 0.443 803 V N -0.040 120.004 119.914 0.216 0.000 2.490 803 V HA -0.159 3.952 4.120 -0.015 0.000 0.250 803 V C 2.719 178.917 176.094 0.174 0.000 1.061 803 V CA 1.855 64.256 62.300 0.168 0.000 1.064 803 V CB -1.097 30.739 31.823 0.022 0.000 0.670 803 V HN 0.641 nan 8.190 nan 0.000 0.461 804 G N -0.551 108.349 108.800 0.167 0.000 2.418 804 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.217 804 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.217 804 G C 1.583 176.611 174.900 0.214 0.000 1.158 804 G CA 0.924 46.146 45.100 0.203 0.000 0.771 804 G HN 0.464 nan 8.290 nan 0.000 0.545 805 L N 0.098 121.414 121.223 0.155 0.000 2.017 805 L HA -0.040 4.291 4.340 -0.015 0.000 0.208 805 L C 2.894 179.836 176.870 0.121 0.000 1.073 805 L CA 0.762 55.677 54.840 0.125 0.000 0.745 805 L CB -0.358 41.743 42.059 0.070 0.000 0.894 805 L HN 0.207 nan 8.230 nan 0.000 0.432 806 I N -0.270 120.346 120.570 0.077 0.000 2.151 806 I HA -0.300 3.861 4.170 -0.015 0.000 0.243 806 I C 2.589 178.889 176.117 0.304 0.000 1.080 806 I CA 1.703 63.079 61.300 0.127 0.000 1.339 806 I CB -0.978 37.094 38.000 0.120 0.000 1.039 806 I HN 0.329 nan 8.210 nan 0.000 0.409 807 G N 0.350 109.299 108.800 0.249 0.000 2.433 807 G HA2 -0.234 3.717 3.960 -0.015 0.000 0.216 807 G HA3 -0.234 3.717 3.960 -0.015 0.000 0.216 807 G C 1.257 176.345 174.900 0.314 0.000 1.186 807 G CA 1.000 46.212 45.100 0.186 0.000 0.779 807 G HN 0.291 nan 8.290 nan 0.000 0.543 808 D N 0.530 121.177 120.400 0.412 0.000 2.144 808 D HA -0.042 4.589 4.640 -0.015 0.000 0.200 808 D C 2.552 179.032 176.300 0.299 0.000 0.978 808 D CA 0.382 54.609 54.000 0.378 0.000 0.833 808 D CB -0.157 40.818 40.800 0.292 0.000 0.961 808 D HN 0.365 nan 8.370 nan 0.000 0.470 809 I N 1.166 121.923 120.570 0.311 0.000 2.226 809 I HA -0.257 3.904 4.170 -0.015 0.000 0.245 809 I C 2.477 178.865 176.117 0.451 0.000 1.100 809 I CA 0.970 62.508 61.300 0.396 0.000 1.374 809 I CB -0.231 38.028 38.000 0.431 0.000 1.057 809 I HN -0.075 nan 8.210 nan 0.000 0.413 810 A N 0.925 123.971 122.820 0.377 0.000 1.883 810 A HA -0.240 4.071 4.320 -0.015 0.000 0.217 810 A C 2.548 180.164 177.584 0.053 0.000 1.186 810 A CA 2.055 54.151 52.037 0.097 0.000 0.624 810 A CB -0.975 17.870 19.000 -0.259 0.000 0.822 810 A HN 0.445 nan 8.150 nan 0.000 0.444 811 A N -1.060 121.803 122.820 0.071 0.000 2.024 811 A HA -0.145 4.166 4.320 -0.015 0.000 0.220 811 A C 2.181 179.766 177.584 0.001 0.000 1.164 811 A CA 1.903 53.985 52.037 0.075 0.000 0.643 811 A CB -0.520 18.634 19.000 0.256 0.000 0.806 811 A HN 0.567 nan 8.150 nan 0.000 0.451 812 M N -2.206 117.366 119.600 -0.047 0.000 2.447 812 M HA 0.125 4.596 4.480 -0.015 0.000 0.264 812 M C -0.495 175.438 176.300 -0.612 0.000 1.095 812 M CA 0.784 55.862 55.300 -0.370 0.000 1.125 812 M CB 0.261 32.577 32.600 -0.473 0.000 1.389 812 M HN 0.371 nan 8.290 nan 0.000 0.459 813 F N 0.251 120.223 119.950 0.036 0.000 2.449 813 F HA 0.314 4.832 4.527 -0.015 0.000 0.329 813 F C -1.778 174.013 175.800 -0.015 0.000 1.245 813 F CA -1.851 56.164 58.000 0.026 0.000 1.193 813 F CB 0.300 39.356 39.000 0.094 0.000 1.425 813 F HN -0.065 nan 8.300 nan 0.000 0.544 814 P HA -0.060 nan 4.420 nan 0.000 0.245 814 P C 0.569 177.883 177.300 0.022 0.000 1.212 814 P CA 0.749 63.860 63.100 0.017 0.000 0.774 814 P CB 0.154 31.846 31.700 -0.014 0.000 0.999 815 D N -1.126 119.306 120.400 0.053 0.000 2.340 815 D HA 0.069 4.700 4.640 -0.015 0.000 0.220 815 D C 1.474 177.789 176.300 0.026 0.000 1.039 815 D CA 0.569 54.587 54.000 0.030 0.000 0.866 815 D CB -0.703 40.111 40.800 0.024 0.000 0.913 815 D HN 0.220 nan 8.370 nan 0.000 0.523 816 G N 0.594 109.422 108.800 0.046 0.000 2.175 816 G HA2 -0.366 3.585 3.960 -0.015 0.000 0.244 816 G HA3 -0.366 3.585 3.960 -0.015 0.000 0.244 816 G C 1.177 176.102 174.900 0.042 0.000 0.982 816 G CA 0.717 45.835 45.100 0.030 0.000 0.641 816 G HN 0.560 nan 8.290 nan 0.000 0.527 817 S N -0.029 115.700 115.700 0.048 0.000 2.469 817 S HA 0.099 4.560 4.470 -0.015 0.000 0.238 817 S C 1.868 176.541 174.600 0.122 0.000 0.998 817 S CA 1.436 59.652 58.200 0.025 0.000 0.957 817 S CB -0.366 62.757 63.200 -0.130 0.000 0.764 817 S HN 1.520 nan 8.310 nan 0.000 0.514 818 I N -1.730 118.915 120.570 0.125 0.000 3.966 818 I HA 0.383 4.544 4.170 -0.015 0.000 0.324 818 I C 1.395 177.693 176.117 0.301 0.000 1.517 818 I CA -0.666 60.779 61.300 0.241 0.000 1.117 818 I CB 0.171 38.272 38.000 0.169 0.000 1.190 818 I HN 0.070 nan 8.210 nan 0.000 0.466 819 K N 2.031 122.528 120.400 0.161 0.000 2.281 819 K HA -0.208 4.103 4.320 -0.015 0.000 0.203 819 K C 1.681 178.344 176.600 0.104 0.000 1.046 819 K CA 1.814 58.190 56.287 0.148 0.000 0.938 819 K CB -0.220 32.302 32.500 0.038 0.000 0.737 819 K HN 0.655 nan 8.250 nan 0.000 0.458 820 Q N 0.738 120.500 119.800 -0.063 0.000 2.226 820 Q HA -0.156 4.175 4.340 -0.015 0.000 0.204 820 Q C 1.633 177.412 176.000 -0.368 0.000 0.975 820 Q CA 1.331 56.987 55.803 -0.246 0.000 0.866 820 Q CB -0.654 27.859 28.738 -0.375 0.000 0.915 820 Q HN 0.484 nan 8.270 nan 0.000 0.440 821 F N -0.161 119.616 119.950 -0.289 0.000 2.502 821 F HA -0.021 4.497 4.527 -0.015 0.000 0.298 821 F C 1.194 176.595 175.800 -0.664 0.000 1.111 821 F CA 0.649 58.252 58.000 -0.662 0.000 1.445 821 F CB -0.108 38.030 39.000 -1.437 0.000 1.081 821 F HN 0.005 nan 8.300 nan 0.000 0.558 822 Y N -1.140 119.091 120.300 -0.115 0.000 2.462 822 Y HA 0.236 4.777 4.550 -0.015 0.000 0.261 822 Y C 2.164 177.995 175.900 -0.114 0.000 1.146 822 Y CA 0.242 58.292 58.100 -0.083 0.000 1.283 822 Y CB -0.121 38.324 38.460 -0.026 0.000 1.090 822 Y HN -0.049 nan 8.280 nan 0.000 0.526 823 G N -0.543 108.242 108.800 -0.026 0.000 3.337 823 G HA2 0.082 4.033 3.960 -0.015 0.000 0.246 823 G HA3 0.082 4.033 3.960 -0.015 0.000 0.246 823 G C 0.194 175.035 174.900 -0.097 0.000 1.131 823 G CA -0.265 44.805 45.100 -0.050 0.000 0.773 823 G HN 0.218 nan 8.290 nan 0.000 0.544 824 Q N 0.380 120.073 119.800 -0.178 0.000 2.299 824 Q HA 0.162 4.493 4.340 -0.015 0.000 0.246 824 Q C 0.279 176.168 176.000 -0.184 0.000 0.935 824 Q CA -0.626 55.065 55.803 -0.187 0.000 0.887 824 Q CB 1.465 30.024 28.738 -0.298 0.000 1.223 824 Q HN 0.041 nan 8.270 nan 0.000 0.439 825 D N 2.238 122.610 120.400 -0.047 0.000 2.092 825 D HA -0.188 4.443 4.640 -0.015 0.000 0.193 825 D C 1.760 178.079 176.300 0.032 0.000 0.994 825 D CA 1.386 55.392 54.000 0.010 0.000 0.828 825 D CB -0.100 40.743 40.800 0.073 0.000 0.963 825 D HN 0.795 nan 8.370 nan 0.000 0.450 826 W N 1.425 122.750 121.300 0.040 0.000 2.374 826 W HA -0.118 4.532 4.660 -0.016 0.000 0.288 826 W C 1.488 178.058 176.519 0.085 0.000 1.218 826 W CA 0.392 57.766 57.345 0.048 0.000 1.245 826 W CB -1.010 28.467 29.460 0.028 0.000 1.126 826 W HN -0.191 nan 8.180 nan 0.000 0.545 827 V N 2.319 121.791 119.914 -0.737 0.000 2.323 827 V HA -0.296 3.814 4.120 -0.015 0.000 0.244 827 V C 2.655 178.648 176.094 -0.168 0.000 1.041 827 V CA 2.031 63.926 62.300 -0.676 0.000 1.025 827 V CB -0.790 30.553 31.823 -0.801 0.000 0.656 827 V HN 0.066 nan 8.190 nan 0.000 0.451 828 I N 0.372 120.862 120.570 -0.133 0.000 2.163 828 I HA -0.268 3.893 4.170 -0.015 0.000 0.243 828 I C 2.253 178.371 176.117 0.001 0.000 1.085 828 I CA 1.824 63.098 61.300 -0.044 0.000 1.347 828 I CB -0.529 37.449 38.000 -0.036 0.000 1.044 828 I HN 0.313 nan 8.210 nan 0.000 0.408 829 D N -0.243 120.179 120.400 0.037 0.000 2.178 829 D HA -0.212 4.419 4.640 -0.015 0.000 0.201 829 D C 1.876 178.229 176.300 0.088 0.000 0.980 829 D CA 1.124 55.162 54.000 0.064 0.000 0.842 829 D CB -0.253 40.602 40.800 0.091 0.000 0.948 829 D HN 0.360 nan 8.370 nan 0.000 0.472 830 Y N 1.118 121.426 120.300 0.013 0.000 2.184 830 Y HA -0.072 4.468 4.550 -0.016 0.000 0.290 830 Y C 2.091 177.967 175.900 -0.040 0.000 1.129 830 Y CA 1.006 59.109 58.100 0.005 0.000 1.144 830 Y CB -0.379 38.141 38.460 0.099 0.000 0.995 830 Y HN -0.105 nan 8.280 nan 0.000 0.513 831 I N 0.279 120.789 120.570 -0.099 0.000 2.163 831 I HA -0.381 3.780 4.170 -0.015 0.000 0.243 831 I C 2.413 178.428 176.117 -0.171 0.000 1.085 831 I CA 1.753 62.950 61.300 -0.172 0.000 1.347 831 I CB -0.437 37.531 38.000 -0.053 0.000 1.044 831 I HN 0.170 nan 8.210 nan 0.000 0.408 832 K N 0.503 120.847 120.400 -0.093 0.000 2.020 832 K HA -0.222 4.089 4.320 -0.015 0.000 0.212 832 K C 2.285 178.838 176.600 -0.078 0.000 1.050 832 K CA 1.605 57.854 56.287 -0.063 0.000 0.929 832 K CB -0.308 32.178 32.500 -0.025 0.000 0.714 832 K HN 0.273 nan 8.250 nan 0.000 0.443 833 R N 0.197 120.636 120.500 -0.102 0.000 2.105 833 R HA -0.091 4.240 4.340 -0.015 0.000 0.239 833 R C 2.219 178.460 176.300 -0.098 0.000 1.135 833 R CA 1.691 57.751 56.100 -0.067 0.000 0.967 833 R CB -0.272 29.979 30.300 -0.082 0.000 0.861 833 R HN 0.202 nan 8.270 nan 0.000 0.442 834 T N -0.237 114.089 114.554 -0.380 0.000 2.995 834 T HA -0.022 4.319 4.350 -0.015 0.000 0.269 834 T C 1.529 176.055 174.700 -0.290 0.000 1.091 834 T CA 0.741 62.465 62.100 -0.628 0.000 1.128 834 T CB 0.006 68.400 68.868 -0.789 0.000 0.891 834 T HN 0.184 nan 8.240 nan 0.000 0.492 835 R N 0.208 120.628 120.500 -0.133 0.000 2.317 835 R HA 0.251 4.582 4.340 -0.015 0.000 0.208 835 R C 2.017 178.339 176.300 0.035 0.000 0.914 835 R CA 0.099 56.177 56.100 -0.036 0.000 1.060 835 R CB 0.213 30.491 30.300 -0.035 0.000 1.015 835 R HN 0.162 nan 8.270 nan 0.000 0.498 836 S N -0.824 114.922 115.700 0.077 0.000 2.338 836 S HA 0.160 4.621 4.470 -0.015 0.000 0.197 836 S C 1.142 175.794 174.600 0.087 0.000 0.990 836 S CA 0.615 58.858 58.200 0.073 0.000 0.920 836 S CB -0.053 63.186 63.200 0.065 0.000 0.903 836 S HN 0.493 nan 8.310 nan 0.000 0.542 837 G N 0.461 109.328 108.800 0.111 0.000 2.679 837 G HA2 0.187 4.138 3.960 -0.015 0.000 0.202 837 G HA3 0.187 4.138 3.960 -0.015 0.000 0.202 837 G C 0.235 175.160 174.900 0.043 0.000 1.566 837 G CA 0.150 45.283 45.100 0.055 0.000 1.074 837 G HN 0.312 nan 8.290 nan 0.000 0.564 838 Q N -0.822 118.979 119.800 0.002 0.000 2.317 838 Q HA 0.341 4.672 4.340 -0.015 0.000 0.220 838 Q C 2.446 178.415 176.000 -0.052 0.000 0.873 838 Q CA -0.002 55.797 55.803 -0.007 0.000 0.936 838 Q CB 0.205 28.935 28.738 -0.013 0.000 1.105 838 Q HN 0.474 nan 8.270 nan 0.000 0.520 839 L N -0.743 120.397 121.223 -0.139 0.000 2.127 839 L HA -0.065 4.266 4.340 -0.015 0.000 0.211 839 L C 0.196 176.769 176.870 -0.495 0.000 1.089 839 L CA 1.081 55.700 54.840 -0.368 0.000 0.757 839 L CB -0.132 41.585 42.059 -0.571 0.000 0.899 839 L HN 0.082 nan 8.230 nan 0.000 0.434 840 F N -1.428 118.537 119.950 0.025 0.000 2.556 840 F HA 0.339 4.860 4.527 -0.010 0.000 0.327 840 F C 0.801 176.611 175.800 0.017 0.000 1.059 840 F CA -1.082 56.932 58.000 0.024 0.000 0.953 840 F CB 1.409 40.418 39.000 0.015 0.000 1.227 840 F HN -0.234 nan 8.300 nan 0.000 0.478 841 S N 0.203 116.034 115.700 0.218 0.000 2.669 841 S HA 0.183 4.644 4.470 -0.015 0.000 0.270 841 S C 0.776 175.434 174.600 0.098 0.000 1.225 841 S CA -0.546 57.724 58.200 0.117 0.000 0.991 841 S CB 1.492 64.743 63.200 0.086 0.000 0.987 841 S HN 0.666 nan 8.310 nan 0.000 0.552 842 Q N 1.019 120.857 119.800 0.063 0.000 2.096 842 Q HA -0.055 4.276 4.340 -0.015 0.000 0.204 842 Q C 2.224 178.248 176.000 0.039 0.000 0.982 842 Q CA 2.415 58.246 55.803 0.047 0.000 0.850 842 Q CB -1.248 27.510 28.738 0.033 0.000 0.901 842 Q HN 0.919 nan 8.270 nan 0.000 0.422 843 A N -0.838 122.003 122.820 0.036 0.000 1.865 843 A HA -0.231 4.080 4.320 -0.015 0.000 0.217 843 A C 2.321 179.921 177.584 0.026 0.000 1.191 843 A CA 2.230 54.281 52.037 0.024 0.000 0.623 843 A CB -1.234 17.778 19.000 0.020 0.000 0.826 843 A HN 0.499 nan 8.150 nan 0.000 0.444 844 T N -0.034 114.545 114.554 0.040 0.000 2.720 844 T HA -0.167 4.174 4.350 -0.015 0.000 0.268 844 T C 1.905 176.595 174.700 -0.017 0.000 1.037 844 T CA 1.982 64.089 62.100 0.011 0.000 1.144 844 T CB -0.230 68.660 68.868 0.037 0.000 0.864 844 T HN 0.576 nan 8.240 nan 0.000 0.444 845 K N 0.666 121.077 120.400 0.019 0.000 2.155 845 K HA -0.036 4.275 4.320 -0.015 0.000 0.203 845 K C 2.064 178.677 176.600 0.022 0.000 1.052 845 K CA 1.071 57.365 56.287 0.011 0.000 0.948 845 K CB 0.000 32.525 32.500 0.041 0.000 0.728 845 K HN 0.210 nan 8.250 nan 0.000 0.448 846 D N 0.028 120.448 120.400 0.033 0.000 2.144 846 D HA -0.090 4.541 4.640 -0.015 0.000 0.200 846 D C 1.687 178.038 176.300 0.084 0.000 0.978 846 D CA 1.249 55.279 54.000 0.050 0.000 0.833 846 D CB -0.173 40.647 40.800 0.032 0.000 0.961 846 D HN 0.134 nan 8.370 nan 0.000 0.470 847 T N 0.664 115.257 114.554 0.066 0.000 2.821 847 T HA -0.045 4.296 4.350 -0.015 0.000 0.267 847 T C 2.031 176.827 174.700 0.159 0.000 1.046 847 T CA 1.173 63.345 62.100 0.120 0.000 1.139 847 T CB -0.119 68.788 68.868 0.066 0.000 0.871 847 T HN 0.163 nan 8.240 nan 0.000 0.454 848 A N 1.848 124.698 122.820 0.050 0.000 1.902 848 A HA -0.084 4.227 4.320 -0.015 0.000 0.217 848 A C 2.312 179.920 177.584 0.040 0.000 1.181 848 A CA 1.514 53.551 52.037 0.000 0.000 0.623 848 A CB -0.595 18.345 19.000 -0.100 0.000 0.818 848 A HN 0.376 nan 8.150 nan 0.000 0.443 849 R N -0.976 119.563 120.500 0.065 0.000 2.096 849 R HA -0.210 4.121 4.340 -0.015 0.000 0.240 849 R C 2.192 178.560 176.300 0.114 0.000 1.139 849 R CA 2.020 58.164 56.100 0.074 0.000 0.952 849 R CB -0.449 29.901 30.300 0.083 0.000 0.854 849 R HN 0.867 nan 8.270 nan 0.000 0.436 850 W N 1.045 122.344 121.300 -0.001 0.000 2.381 850 W HA -0.145 4.506 4.660 -0.016 0.000 0.301 850 W C 1.621 178.153 176.519 0.022 0.000 1.205 850 W CA 1.432 58.782 57.345 0.009 0.000 1.285 850 W CB -0.496 28.971 29.460 0.011 0.000 1.133 850 W HN 0.189 nan 8.180 nan 0.000 0.521 851 A N 1.504 124.301 122.820 -0.039 0.000 1.902 851 A HA -0.252 4.059 4.320 -0.015 0.000 0.217 851 A C 2.000 179.510 177.584 -0.123 0.000 1.181 851 A CA 2.354 54.321 52.037 -0.116 0.000 0.623 851 A CB -0.996 18.044 19.000 0.066 0.000 0.818 851 A HN 0.326 nan 8.150 nan 0.000 0.443 852 R N 0.236 120.694 120.500 -0.069 0.000 2.091 852 R HA -0.161 4.170 4.340 -0.015 0.000 0.238 852 R C 1.899 178.134 176.300 -0.108 0.000 1.136 852 R CA 2.278 58.342 56.100 -0.060 0.000 0.959 852 R CB -0.588 29.692 30.300 -0.033 0.000 0.856 852 R HN 0.671 nan 8.270 nan 0.000 0.437 853 E N -0.604 119.502 120.200 -0.158 0.000 2.072 853 E HA -0.167 4.174 4.350 -0.015 0.000 0.191 853 E C 2.053 178.485 176.600 -0.280 0.000 0.985 853 E CA 1.140 57.428 56.400 -0.187 0.000 0.801 853 E CB 0.058 29.662 29.700 -0.161 0.000 0.750 853 E HN 0.337 nan 8.360 nan 0.000 0.452 854 Q N 0.217 119.749 119.800 -0.446 0.000 2.119 854 Q HA -0.166 4.165 4.340 -0.015 0.000 0.201 854 Q C 2.096 177.888 176.000 -0.347 0.000 0.972 854 Q CA 0.999 56.521 55.803 -0.469 0.000 0.847 854 Q CB -0.202 28.158 28.738 -0.631 0.000 0.903 854 Q HN 0.344 nan 8.270 nan 0.000 0.433 855 Q N 1.271 120.941 119.800 -0.217 0.000 2.084 855 Q HA -0.151 4.180 4.340 -0.015 0.000 0.202 855 Q C 1.732 177.669 176.000 -0.104 0.000 0.978 855 Q CA 1.237 56.983 55.803 -0.095 0.000 0.844 855 Q CB 0.116 28.919 28.738 0.108 0.000 0.898 855 Q HN 0.286 nan 8.270 nan 0.000 0.426 856 K N 0.162 120.502 120.400 -0.101 0.000 2.026 856 K HA -0.174 4.137 4.320 -0.015 0.000 0.208 856 K C 2.323 178.864 176.600 -0.098 0.000 1.048 856 K CA 1.393 57.631 56.287 -0.081 0.000 0.929 856 K CB -0.231 32.226 32.500 -0.071 0.000 0.713 856 K HN 0.115 nan 8.250 nan 0.000 0.439 857 R N 0.996 121.414 120.500 -0.135 0.000 2.127 857 R HA -0.158 4.173 4.340 -0.015 0.000 0.238 857 R C 2.236 178.458 176.300 -0.131 0.000 1.134 857 R CA 1.336 57.358 56.100 -0.129 0.000 0.975 857 R CB 0.110 30.316 30.300 -0.157 0.000 0.865 857 R HN 0.216 nan 8.270 nan 0.000 0.447 858 Q N 0.279 119.968 119.800 -0.184 0.000 2.046 858 Q HA -0.131 4.200 4.340 -0.015 0.000 0.200 858 Q C 2.274 178.221 176.000 -0.088 0.000 0.975 858 Q CA 1.261 56.954 55.803 -0.183 0.000 0.836 858 Q CB -0.101 28.413 28.738 -0.375 0.000 0.896 858 Q HN 0.425 nan 8.270 nan 0.000 0.428 859 L N 1.064 122.249 121.223 -0.063 0.000 2.083 859 L HA -0.151 4.180 4.340 -0.015 0.000 0.209 859 L C 2.475 179.324 176.870 -0.035 0.000 1.083 859 L CA 1.412 56.232 54.840 -0.032 0.000 0.752 859 L CB -0.562 41.483 42.059 -0.022 0.000 0.899 859 L HN 0.228 nan 8.230 nan 0.000 0.433 860 S N -0.723 114.951 115.700 -0.043 0.000 2.555 860 S HA 0.042 4.503 4.470 -0.015 0.000 0.230 860 S C 0.944 175.524 174.600 -0.034 0.000 0.978 860 S CA -0.017 58.161 58.200 -0.036 0.000 0.934 860 S CB -0.481 62.697 63.200 -0.037 0.000 0.766 860 S HN 0.209 nan 8.310 nan 0.000 0.533 861 L N 0.000 121.200 121.223 -0.038 0.000 2.949 861 L HA 0.000 4.331 4.340 -0.015 0.000 0.249 861 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 861 L CB 0.000 42.039 42.059 -0.034 0.000 0.961 861 L HN 0.000 nan 8.230 nan 0.000 0.502