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 3nd2_1_A 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 QALVSSSNNI LIAIVQGAQS TETSKAVRLA DATA SEQUENCE ALNALADSLI FIKNNMEREG ERNYLMQVVC EATQAEDIEV QAAAFGCLCK DATA SEQUENCE IMSLYYTFMK 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 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.647 32.600 0.078 0.000 1.302 2 S N 0.993 116.708 115.700 0.026 0.000 2.672 2 S HA 0.480 4.934 4.470 -0.027 0.000 0.276 2 S C 0.651 175.270 174.600 0.031 0.000 1.207 2 S CA 0.092 58.299 58.200 0.012 0.000 1.002 2 S CB 1.522 64.729 63.200 0.011 0.000 0.998 2 S HN 0.768 nan 8.310 nan 0.000 0.542 3 T N 1.989 116.547 114.554 0.006 0.000 2.665 3 T HA -0.146 4.188 4.350 -0.027 0.000 0.268 3 T C 2.183 176.923 174.700 0.066 0.000 1.035 3 T CA 1.956 64.069 62.100 0.021 0.000 1.151 3 T CB -1.087 67.776 68.868 -0.007 0.000 0.862 3 T HN 0.860 nan 8.240 nan 0.000 0.438 4 A N 2.191 125.034 122.820 0.039 0.000 1.892 4 A HA -0.211 4.093 4.320 -0.027 0.000 0.218 4 A C 2.208 179.815 177.584 0.039 0.000 1.188 4 A CA 2.001 54.057 52.037 0.031 0.000 0.631 4 A CB -0.563 18.446 19.000 0.016 0.000 0.822 4 A HN 0.804 nan 8.150 nan 0.000 0.447 5 E N -2.156 118.075 120.200 0.052 0.000 2.371 5 E HA -0.038 4.295 4.350 -0.027 0.000 0.194 5 E C 1.730 178.368 176.600 0.064 0.000 1.012 5 E CA 0.601 57.028 56.400 0.044 0.000 0.860 5 E CB -0.349 29.375 29.700 0.039 0.000 0.811 5 E HN 0.587 nan 8.360 nan 0.000 0.502 6 F N 2.498 122.423 119.950 -0.043 0.000 2.206 6 F HA 0.078 4.588 4.527 -0.027 0.000 0.298 6 F C 2.397 178.159 175.800 -0.065 0.000 1.090 6 F CA 1.146 59.110 58.000 -0.061 0.000 1.323 6 F CB -0.176 38.767 39.000 -0.096 0.000 1.028 6 F HN 0.071 nan 8.300 nan 0.000 0.492 7 A N -0.031 122.817 122.820 0.046 0.000 1.883 7 A HA -0.304 4.000 4.320 -0.027 0.000 0.217 7 A C 2.102 179.624 177.584 -0.102 0.000 1.186 7 A CA 2.004 54.020 52.037 -0.035 0.000 0.624 7 A CB -1.124 17.886 19.000 0.016 0.000 0.822 7 A HN 0.507 nan 8.150 nan 0.000 0.444 8 Q N -0.440 119.319 119.800 -0.069 0.000 2.170 8 Q HA -0.060 4.264 4.340 -0.027 0.000 0.203 8 Q C 1.868 177.804 176.000 -0.107 0.000 0.976 8 Q CA 1.442 57.205 55.803 -0.068 0.000 0.858 8 Q CB -0.401 28.315 28.738 -0.037 0.000 0.907 8 Q HN 0.662 nan 8.270 nan 0.000 0.433 9 L N -0.548 120.577 121.223 -0.164 0.000 2.083 9 L HA -0.178 4.146 4.340 -0.027 0.000 0.209 9 L C 1.978 178.700 176.870 -0.246 0.000 1.083 9 L CA 1.017 55.733 54.840 -0.207 0.000 0.752 9 L CB -0.139 41.749 42.059 -0.284 0.000 0.899 9 L HN 0.364 nan 8.230 nan 0.000 0.433 10 L N -0.681 120.342 121.223 -0.333 0.000 2.023 10 L HA -0.213 4.111 4.340 -0.027 0.000 0.205 10 L C 2.440 179.226 176.870 -0.140 0.000 1.073 10 L CA 1.308 55.988 54.840 -0.266 0.000 0.745 10 L CB -0.488 41.394 42.059 -0.295 0.000 0.900 10 L HN 0.214 nan 8.230 nan 0.000 0.435 11 E N 0.122 120.253 120.200 -0.115 0.000 2.097 11 E HA -0.244 4.090 4.350 -0.027 0.000 0.196 11 E C 1.896 178.461 176.600 -0.059 0.000 1.000 11 E CA 1.418 57.776 56.400 -0.070 0.000 0.804 11 E CB -0.227 29.439 29.700 -0.057 0.000 0.740 11 E HN 0.447 nan 8.360 nan 0.000 0.454 12 N N 0.501 119.161 118.700 -0.067 0.000 2.188 12 N HA -0.123 4.601 4.740 -0.027 0.000 0.184 12 N C 1.945 177.429 175.510 -0.043 0.000 1.018 12 N CA 1.480 54.500 53.050 -0.049 0.000 0.858 12 N CB -0.367 38.090 38.487 -0.049 0.000 0.989 12 N HN 0.175 nan 8.380 nan 0.000 0.426 13 S N 0.326 115.992 115.700 -0.056 0.000 2.442 13 S HA -0.065 4.389 4.470 -0.027 0.000 0.236 13 S C 1.748 176.333 174.600 -0.024 0.000 1.007 13 S CA 1.070 59.246 58.200 -0.039 0.000 0.965 13 S CB -0.317 62.855 63.200 -0.047 0.000 0.773 13 S HN 0.546 nan 8.310 nan 0.000 0.504 14 I N -3.312 117.241 120.570 -0.027 0.000 4.881 14 I HA 0.317 4.471 4.170 -0.027 0.000 0.319 14 I C 1.529 177.636 176.117 -0.017 0.000 1.205 14 I CA -0.266 61.024 61.300 -0.017 0.000 1.368 14 I CB -0.156 37.836 38.000 -0.013 0.000 1.484 14 I HN 0.049 nan 8.210 nan 0.000 0.486 15 L N 1.787 122.996 121.223 -0.023 0.000 2.552 15 L HA 0.161 4.485 4.340 -0.027 0.000 0.227 15 L C 1.249 178.108 176.870 -0.018 0.000 1.146 15 L CA 0.318 55.146 54.840 -0.019 0.000 0.858 15 L CB -0.221 41.825 42.059 -0.023 0.000 0.969 15 L HN 0.261 nan 8.230 nan 0.000 0.451 16 S N 0.289 115.978 115.700 -0.019 0.000 2.565 16 S HA 0.262 4.715 4.470 -0.027 0.000 0.274 16 S C -1.621 172.972 174.600 -0.011 0.000 1.309 16 S CA -1.272 56.919 58.200 -0.016 0.000 1.043 16 S CB 1.085 64.275 63.200 -0.018 0.000 0.939 16 S HN -0.051 nan 8.310 nan 0.000 0.504 17 P HA 0.197 nan 4.420 nan 0.000 0.255 17 P C -0.532 176.765 177.300 -0.005 0.000 1.248 17 P CA 0.023 63.119 63.100 -0.006 0.000 0.807 17 P CB 0.001 31.698 31.700 -0.006 0.000 1.150 18 D N 0.494 120.890 120.400 -0.006 0.000 2.316 18 D HA -0.003 4.621 4.640 -0.027 0.000 0.245 18 D C 1.137 177.434 176.300 -0.005 0.000 1.171 18 D CA -0.151 53.846 54.000 -0.005 0.000 0.856 18 D CB 0.817 41.614 40.800 -0.005 0.000 1.090 18 D HN -0.098 nan 8.370 nan 0.000 0.476 19 Q N 3.933 123.731 119.800 -0.003 0.000 2.124 19 Q HA -0.189 4.135 4.340 -0.027 0.000 0.202 19 Q C 0.675 176.674 176.000 -0.002 0.000 0.977 19 Q CA 1.110 56.912 55.803 -0.002 0.000 0.850 19 Q CB 0.185 28.923 28.738 -0.000 0.000 0.901 19 Q HN 0.511 nan 8.270 nan 0.000 0.429 20 N N 0.552 119.252 118.700 -0.002 0.000 2.171 20 N HA -0.051 4.673 4.740 -0.027 0.000 0.184 20 N C 2.036 177.545 175.510 -0.002 0.000 1.021 20 N CA 0.948 53.998 53.050 -0.001 0.000 0.854 20 N CB -0.173 38.314 38.487 -0.000 0.000 0.994 20 N HN 0.314 nan 8.380 nan 0.000 0.426 21 I N 1.288 121.856 120.570 -0.004 0.000 2.264 21 I HA -0.260 3.893 4.170 -0.027 0.000 0.248 21 I C 2.449 178.560 176.117 -0.010 0.000 1.111 21 I CA 0.991 62.286 61.300 -0.008 0.000 1.382 21 I CB -0.139 37.855 38.000 -0.010 0.000 1.060 21 I HN 0.094 nan 8.210 nan 0.000 0.418 22 R N 0.310 120.805 120.500 -0.009 0.000 2.070 22 R HA -0.201 4.122 4.340 -0.027 0.000 0.233 22 R C 2.361 178.659 176.300 -0.005 0.000 1.137 22 R CA 1.506 57.600 56.100 -0.009 0.000 0.945 22 R CB -0.734 29.562 30.300 -0.007 0.000 0.845 22 R HN 0.235 nan 8.270 nan 0.000 0.430 23 L N 0.863 122.085 121.223 -0.001 0.000 2.042 23 L HA -0.175 4.149 4.340 -0.027 0.000 0.210 23 L C 2.085 178.958 176.870 0.005 0.000 1.076 23 L CA 1.928 56.770 54.840 0.004 0.000 0.749 23 L CB -0.565 41.497 42.059 0.004 0.000 0.893 23 L HN 0.134 nan 8.230 nan 0.000 0.432 24 T N -1.218 113.337 114.554 0.003 0.000 2.777 24 T HA -0.129 4.205 4.350 -0.027 0.000 0.266 24 T C 1.938 176.640 174.700 0.004 0.000 1.040 24 T CA 1.580 63.683 62.100 0.004 0.000 1.141 24 T CB -0.245 68.624 68.868 0.002 0.000 0.868 24 T HN 0.416 nan 8.240 nan 0.000 0.444 25 S N 0.974 116.671 115.700 -0.005 0.000 2.368 25 S HA -0.085 4.369 4.470 -0.027 0.000 0.224 25 S C 2.020 176.617 174.600 -0.005 0.000 1.029 25 S CA 0.951 59.141 58.200 -0.016 0.000 0.988 25 S CB -0.260 62.918 63.200 -0.036 0.000 0.838 25 S HN 0.584 nan 8.310 nan 0.000 0.462 26 E N 0.807 121.008 120.200 0.002 0.000 2.058 26 E HA -0.170 4.164 4.350 -0.027 0.000 0.194 26 E C 1.862 178.479 176.600 0.029 0.000 0.997 26 E CA 1.619 58.029 56.400 0.016 0.000 0.801 26 E CB -0.119 29.590 29.700 0.014 0.000 0.746 26 E HN 0.399 nan 8.360 nan 0.000 0.450 27 T N 0.334 114.901 114.554 0.023 0.000 2.777 27 T HA -0.190 4.143 4.350 -0.027 0.000 0.266 27 T C 1.801 176.523 174.700 0.037 0.000 1.040 27 T CA 1.383 63.499 62.100 0.026 0.000 1.141 27 T CB -0.202 68.678 68.868 0.020 0.000 0.868 27 T HN 0.272 nan 8.240 nan 0.000 0.444 28 Q N 0.351 120.174 119.800 0.038 0.000 2.084 28 Q HA -0.074 4.250 4.340 -0.027 0.000 0.202 28 Q C 2.261 178.316 176.000 0.093 0.000 0.978 28 Q CA 1.286 57.121 55.803 0.054 0.000 0.844 28 Q CB -0.294 28.470 28.738 0.042 0.000 0.898 28 Q HN 0.477 nan 8.270 nan 0.000 0.426 29 L N 0.350 121.634 121.223 0.101 0.000 2.046 29 L HA -0.194 4.130 4.340 -0.027 0.000 0.208 29 L C 2.550 179.511 176.870 0.151 0.000 1.077 29 L CA 1.216 56.177 54.840 0.202 0.000 0.747 29 L CB -0.307 41.865 42.059 0.189 0.000 0.896 29 L HN 0.126 nan 8.230 nan 0.000 0.432 30 K N 0.536 120.975 120.400 0.065 0.000 2.057 30 K HA -0.190 4.113 4.320 -0.027 0.000 0.206 30 K C 2.106 178.708 176.600 0.003 0.000 1.050 30 K CA 1.373 57.662 56.287 0.003 0.000 0.935 30 K CB -0.072 32.437 32.500 0.015 0.000 0.715 30 K HN 0.021 nan 8.250 nan 0.000 0.439 31 K N -0.100 120.322 120.400 0.037 0.000 2.063 31 K HA -0.156 4.148 4.320 -0.027 0.000 0.208 31 K C 1.925 178.562 176.600 0.061 0.000 1.048 31 K CA 1.393 57.706 56.287 0.043 0.000 0.928 31 K CB -0.208 32.322 32.500 0.049 0.000 0.713 31 K HN 0.091 nan 8.250 nan 0.000 0.442 32 L N 0.999 122.287 121.223 0.108 0.000 2.093 32 L HA -0.141 4.183 4.340 -0.027 0.000 0.208 32 L C 2.184 179.128 176.870 0.123 0.000 1.085 32 L CA 2.216 57.161 54.840 0.174 0.000 0.755 32 L CB -0.704 41.554 42.059 0.331 0.000 0.904 32 L HN 0.282 nan 8.230 nan 0.000 0.435 33 S N -1.191 114.453 115.700 -0.094 0.000 2.423 33 S HA -0.104 4.350 4.470 -0.027 0.000 0.231 33 S C 1.719 176.336 174.600 0.028 0.000 1.014 33 S CA 1.088 59.106 58.200 -0.304 0.000 0.965 33 S CB -0.595 62.116 63.200 -0.816 0.000 0.785 33 S HN 0.550 nan 8.310 nan 0.000 0.495 34 N N 1.890 120.593 118.700 0.005 0.000 2.305 34 N HA 0.081 4.805 4.740 -0.027 0.000 0.179 34 N C 1.061 176.600 175.510 0.048 0.000 1.019 34 N CA 1.263 54.326 53.050 0.021 0.000 0.869 34 N CB -0.503 37.988 38.487 0.006 0.000 1.000 34 N HN 0.390 nan 8.380 nan 0.000 0.431 35 D N 0.333 120.767 120.400 0.057 0.000 2.091 35 D HA -0.034 4.589 4.640 -0.027 0.000 0.199 35 D C 0.307 176.649 176.300 0.070 0.000 0.980 35 D CA 1.208 55.241 54.000 0.055 0.000 0.831 35 D CB -0.101 40.730 40.800 0.053 0.000 0.987 35 D HN 0.067 nan 8.370 nan 0.000 0.460 36 N N -0.353 118.404 118.700 0.095 0.000 2.727 36 N HA 0.038 4.762 4.740 -0.027 0.000 0.252 36 N C -0.335 175.264 175.510 0.149 0.000 1.283 36 N CA -0.383 52.725 53.050 0.098 0.000 0.782 36 N CB 0.082 38.605 38.487 0.060 0.000 1.199 36 N HN -0.162 nan 8.380 nan 0.000 0.520 37 F N 2.667 122.632 119.950 0.025 0.000 2.146 37 F HA 0.004 4.515 4.527 -0.027 0.000 0.298 37 F C 1.879 177.740 175.800 0.101 0.000 1.096 37 F CA 1.008 59.042 58.000 0.056 0.000 1.275 37 F CB -0.013 38.997 39.000 0.018 0.000 1.008 37 F HN 0.489 nan 8.300 nan 0.000 0.480 38 L N 0.273 121.528 121.223 0.052 0.000 1.991 38 L HA -0.367 3.957 4.340 -0.027 0.000 0.221 38 L C 2.619 179.398 176.870 -0.152 0.000 1.079 38 L CA 2.443 57.236 54.840 -0.079 0.000 0.778 38 L CB -0.740 41.287 42.059 -0.053 0.000 0.893 38 L HN 0.343 nan 8.230 nan 0.000 0.437 39 Q N -1.247 118.493 119.800 -0.100 0.000 2.119 39 Q HA -0.263 4.061 4.340 -0.027 0.000 0.201 39 Q C 2.196 178.053 176.000 -0.238 0.000 0.972 39 Q CA 1.956 57.674 55.803 -0.142 0.000 0.847 39 Q CB -0.261 28.433 28.738 -0.073 0.000 0.903 39 Q HN 0.622 nan 8.270 nan 0.000 0.433 40 F N 0.537 120.287 119.950 -0.333 0.000 2.102 40 F HA -0.153 4.358 4.527 -0.027 0.000 0.298 40 F C 1.984 177.469 175.800 -0.524 0.000 1.105 40 F CA 1.644 59.410 58.000 -0.389 0.000 1.239 40 F CB -0.296 38.565 39.000 -0.233 0.000 0.991 40 F HN 0.123 nan 8.300 nan 0.000 0.474 41 A N 0.128 122.695 122.820 -0.423 0.000 1.929 41 A HA 0.083 4.387 4.320 -0.027 0.000 0.216 41 A C 2.412 179.805 177.584 -0.319 0.000 1.176 41 A CA 1.260 53.065 52.037 -0.387 0.000 0.628 41 A CB -1.695 17.102 19.000 -0.339 0.000 0.816 41 A HN 0.510 nan 8.150 nan 0.000 0.444 42 G N 0.066 108.677 108.800 -0.315 0.000 2.433 42 G HA2 -0.165 3.779 3.960 -0.027 0.000 0.216 42 G HA3 -0.165 3.779 3.960 -0.027 0.000 0.216 42 G C 1.552 176.249 174.900 -0.339 0.000 1.186 42 G CA 1.044 45.988 45.100 -0.259 0.000 0.779 42 G HN 0.400 nan 8.290 nan 0.000 0.543 43 L N 0.757 121.658 121.223 -0.537 0.000 2.083 43 L HA -0.095 4.229 4.340 -0.027 0.000 0.209 43 L C 3.244 179.723 176.870 -0.651 0.000 1.083 43 L CA 1.126 55.551 54.840 -0.692 0.000 0.752 43 L CB -0.326 41.030 42.059 -1.171 0.000 0.899 43 L HN 0.182 nan 8.230 nan 0.000 0.433 44 S N -0.265 114.997 115.700 -0.730 0.000 2.365 44 S HA -0.232 4.222 4.470 -0.027 0.000 0.225 44 S C 2.185 176.686 174.600 -0.164 0.000 1.039 44 S CA 1.787 59.804 58.200 -0.306 0.000 1.033 44 S CB -0.366 62.630 63.200 -0.341 0.000 0.887 44 S HN 0.661 nan 8.310 nan 0.000 0.447 45 S N 2.281 117.875 115.700 -0.177 0.000 2.402 45 S HA -0.173 4.281 4.470 -0.027 0.000 0.229 45 S C 1.842 176.395 174.600 -0.079 0.000 1.021 45 S CA 1.083 59.224 58.200 -0.097 0.000 0.974 45 S CB -0.534 62.619 63.200 -0.078 0.000 0.800 45 S HN 0.780 nan 8.310 nan 0.000 0.484 46 Q N 0.328 120.063 119.800 -0.108 0.000 2.424 46 Q HA 0.224 4.547 4.340 -0.027 0.000 0.204 46 Q C 1.833 177.805 176.000 -0.047 0.000 0.933 46 Q CA 0.573 56.331 55.803 -0.075 0.000 0.929 46 Q CB -0.353 28.333 28.738 -0.085 0.000 1.037 46 Q HN 0.472 nan 8.270 nan 0.000 0.511 47 V N 1.448 121.339 119.914 -0.038 0.000 2.379 47 V HA -0.215 3.889 4.120 -0.027 0.000 0.245 47 V C 2.181 178.277 176.094 0.003 0.000 1.044 47 V CA 1.264 63.572 62.300 0.013 0.000 1.036 47 V CB -0.455 31.422 31.823 0.091 0.000 0.664 47 V HN 0.305 nan 8.190 nan 0.000 0.453 48 L N 1.208 122.426 121.223 -0.008 0.000 2.081 48 L HA -0.157 4.167 4.340 -0.027 0.000 0.212 48 L C 1.971 178.840 176.870 -0.002 0.000 1.080 48 L CA 2.414 57.251 54.840 -0.006 0.000 0.754 48 L CB -0.513 41.539 42.059 -0.011 0.000 0.893 48 L HN 0.556 nan 8.230 nan 0.000 0.433 49 I N -4.080 116.486 120.570 -0.007 0.000 3.928 49 I HA 0.252 4.406 4.170 -0.027 0.000 0.335 49 I C 0.093 176.208 176.117 -0.004 0.000 1.325 49 I CA -0.309 60.990 61.300 -0.003 0.000 1.107 49 I CB -0.430 37.568 38.000 -0.004 0.000 1.014 49 I HN -0.001 nan 8.210 nan 0.000 0.400 50 D N 2.930 123.327 120.400 -0.004 0.000 2.344 50 D HA 0.030 4.654 4.640 -0.027 0.000 0.253 50 D C 1.082 177.382 176.300 0.000 0.000 1.255 50 D CA 0.167 54.165 54.000 -0.003 0.000 0.894 50 D CB 0.755 41.554 40.800 -0.001 0.000 1.067 50 D HN 0.236 nan 8.370 nan 0.000 0.492 51 E N 2.639 122.839 120.200 -0.000 0.000 2.515 51 E HA -0.089 4.245 4.350 -0.027 0.000 0.201 51 E C 0.557 177.157 176.600 0.001 0.000 1.071 51 E CA 0.347 56.748 56.400 0.001 0.000 0.880 51 E CB 0.260 29.961 29.700 0.001 0.000 0.828 51 E HN 0.520 nan 8.360 nan 0.000 0.540 52 N N 0.444 119.144 118.700 0.000 0.000 2.282 52 N HA 0.003 4.727 4.740 -0.027 0.000 0.185 52 N C 0.093 175.603 175.510 0.000 0.000 1.099 52 N CA 0.242 53.292 53.050 0.000 0.000 0.878 52 N CB 0.795 39.282 38.487 -0.000 0.000 0.993 52 N HN -0.052 nan 8.380 nan 0.000 0.481 53 T N 1.851 116.406 114.554 0.001 0.000 2.856 53 T HA 0.199 4.533 4.350 -0.027 0.000 0.292 53 T C 0.475 175.174 174.700 -0.001 0.000 0.980 53 T CA -0.279 61.822 62.100 0.001 0.000 1.091 53 T CB 1.675 70.545 68.868 0.004 0.000 0.936 53 T HN -0.055 nan 8.240 nan 0.000 0.503 54 K N 2.481 122.879 120.400 -0.003 0.000 2.336 54 K HA 0.179 4.483 4.320 -0.027 0.000 0.262 54 K C 1.484 178.082 176.600 -0.003 0.000 0.992 54 K CA -0.464 55.821 56.287 -0.003 0.000 0.927 54 K CB 0.506 33.003 32.500 -0.005 0.000 0.956 54 K HN 0.479 nan 8.250 nan 0.000 0.495 55 L N 1.712 122.934 121.223 -0.001 0.000 1.978 55 L HA -0.290 4.034 4.340 -0.027 0.000 0.218 55 L C 2.073 178.942 176.870 -0.002 0.000 1.075 55 L CA 1.842 56.682 54.840 0.000 0.000 0.767 55 L CB -0.365 41.695 42.059 0.002 0.000 0.890 55 L HN 0.722 nan 8.230 nan 0.000 0.434 56 E N -0.607 119.591 120.200 -0.004 0.000 2.204 56 E HA -0.135 4.199 4.350 -0.027 0.000 0.194 56 E C 2.066 178.659 176.600 -0.012 0.000 0.989 56 E CA 0.805 57.201 56.400 -0.007 0.000 0.824 56 E CB -0.180 29.516 29.700 -0.007 0.000 0.756 56 E HN 0.561 nan 8.360 nan 0.000 0.477 57 G N 0.832 109.624 108.800 -0.014 0.000 2.408 57 G HA2 -0.249 3.695 3.960 -0.027 0.000 0.217 57 G HA3 -0.249 3.695 3.960 -0.027 0.000 0.217 57 G C 1.483 176.376 174.900 -0.012 0.000 1.150 57 G CA 0.321 45.409 45.100 -0.021 0.000 0.776 57 G HN 0.107 nan 8.290 nan 0.000 0.542 58 R N -0.129 120.368 120.500 -0.004 0.000 2.075 58 R HA 0.115 4.439 4.340 -0.027 0.000 0.232 58 R C 2.511 178.811 176.300 -0.001 0.000 1.126 58 R CA 0.946 57.046 56.100 0.001 0.000 0.963 58 R CB -0.355 29.946 30.300 0.002 0.000 0.858 58 R HN 0.359 nan 8.270 nan 0.000 0.435 59 I N 0.472 121.040 120.570 -0.003 0.000 2.252 59 I HA -0.253 3.901 4.170 -0.027 0.000 0.245 59 I C 2.117 178.230 176.117 -0.008 0.000 1.102 59 I CA 0.772 62.071 61.300 -0.003 0.000 1.385 59 I CB -0.157 37.842 38.000 -0.001 0.000 1.064 59 I HN 0.095 nan 8.210 nan 0.000 0.414 60 L N 0.989 122.204 121.223 -0.012 0.000 2.042 60 L HA -0.191 4.133 4.340 -0.027 0.000 0.210 60 L C 2.650 179.511 176.870 -0.015 0.000 1.076 60 L CA 2.121 56.950 54.840 -0.018 0.000 0.749 60 L CB -0.824 41.215 42.059 -0.033 0.000 0.893 60 L HN 0.218 nan 8.230 nan 0.000 0.432 61 A N -0.932 121.882 122.820 -0.010 0.000 1.908 61 A HA -0.205 4.099 4.320 -0.027 0.000 0.218 61 A C 2.435 180.014 177.584 -0.009 0.000 1.181 61 A CA 2.032 54.073 52.037 0.008 0.000 0.627 61 A CB -1.053 17.966 19.000 0.032 0.000 0.818 61 A HN 0.505 nan 8.150 nan 0.000 0.445 62 A N -0.436 122.378 122.820 -0.011 0.000 1.873 62 A HA 0.036 4.340 4.320 -0.027 0.000 0.215 62 A C 2.119 179.693 177.584 -0.016 0.000 1.186 62 A CA 1.421 53.448 52.037 -0.016 0.000 0.616 62 A CB -0.524 18.468 19.000 -0.013 0.000 0.823 62 A HN 0.461 nan 8.150 nan 0.000 0.442 63 L N 0.017 121.233 121.223 -0.012 0.000 2.313 63 L HA -0.089 4.235 4.340 -0.027 0.000 0.214 63 L C 2.842 179.720 176.870 0.013 0.000 1.119 63 L CA 1.629 56.462 54.840 -0.012 0.000 0.809 63 L CB -0.759 41.291 42.059 -0.015 0.000 0.933 63 L HN 0.677 nan 8.230 nan 0.000 0.449 64 T N -2.304 112.269 114.554 0.032 0.000 2.978 64 T HA -0.107 4.226 4.350 -0.027 0.000 0.262 64 T C 1.811 176.604 174.700 0.154 0.000 1.063 64 T CA 0.385 62.540 62.100 0.091 0.000 1.140 64 T CB -0.146 68.785 68.868 0.105 0.000 0.886 64 T HN 0.114 nan 8.240 nan 0.000 0.470 65 L N 1.439 122.717 121.223 0.092 0.000 2.027 65 L HA 0.208 4.532 4.340 -0.027 0.000 0.206 65 L C 2.607 179.512 176.870 0.058 0.000 1.074 65 L CA 1.834 56.744 54.840 0.117 0.000 0.745 65 L CB -0.844 41.219 42.059 0.007 0.000 0.898 65 L HN 0.187 nan 8.230 nan 0.000 0.433 66 K N -0.559 119.840 120.400 -0.001 0.000 2.113 66 K HA -0.222 4.082 4.320 -0.027 0.000 0.208 66 K C 1.460 178.041 176.600 -0.031 0.000 1.047 66 K CA 1.743 58.008 56.287 -0.036 0.000 0.928 66 K CB -0.147 32.323 32.500 -0.049 0.000 0.716 66 K HN 0.414 nan 8.250 nan 0.000 0.446 67 N N 0.889 119.583 118.700 -0.010 0.000 2.461 67 N HA -0.053 4.671 4.740 -0.027 0.000 0.188 67 N C 0.520 175.934 175.510 -0.159 0.000 1.134 67 N CA 0.587 53.631 53.050 -0.010 0.000 0.878 67 N CB 0.386 38.892 38.487 0.032 0.000 0.972 67 N HN 0.241 nan 8.380 nan 0.000 0.456 68 E N -0.214 119.841 120.200 -0.241 0.000 2.481 68 E HA 0.208 4.542 4.350 -0.027 0.000 0.198 68 E C 1.261 177.359 176.600 -0.836 0.000 1.027 68 E CA 0.030 56.030 56.400 -0.667 0.000 0.900 68 E CB 0.691 30.352 29.700 -0.066 0.000 0.993 68 E HN 0.364 nan 8.360 nan 0.000 0.482 69 L N -0.845 120.164 121.223 -0.356 0.000 2.609 69 L HA 0.248 4.572 4.340 -0.027 0.000 0.230 69 L C 0.416 177.369 176.870 0.139 0.000 1.064 69 L CA 0.194 54.973 54.840 -0.102 0.000 0.873 69 L CB 0.961 42.947 42.059 -0.121 0.000 1.139 69 L HN -0.221 nan 8.230 nan 0.000 0.490 70 V N -0.749 119.268 119.914 0.171 0.000 2.760 70 V HA 0.569 4.673 4.120 -0.027 0.000 0.309 70 V C -0.818 175.448 176.094 0.288 0.000 1.077 70 V CA -0.388 62.042 62.300 0.218 0.000 0.910 70 V CB 2.284 34.149 31.823 0.070 0.000 1.008 70 V HN 0.112 nan 8.190 nan 0.000 0.424 71 S N 2.465 118.291 115.700 0.211 0.000 2.579 71 S HA 0.529 4.982 4.470 -0.027 0.000 0.272 71 S C 0.054 174.681 174.600 0.046 0.000 1.141 71 S CA -0.664 57.617 58.200 0.135 0.000 0.843 71 S CB 2.025 65.266 63.200 0.068 0.000 1.122 71 S HN 0.614 nan 8.310 nan 0.000 0.468 72 K N 1.172 121.586 120.400 0.024 0.000 2.400 72 K HA 0.148 4.452 4.320 -0.027 0.000 0.194 72 K C 0.153 176.735 176.600 -0.029 0.000 1.033 72 K CA 0.248 56.534 56.287 -0.001 0.000 1.021 72 K CB -0.202 32.297 32.500 -0.002 0.000 0.808 72 K HN 0.611 nan 8.250 nan 0.000 0.505 73 D N 1.209 121.581 120.400 -0.047 0.000 2.295 73 D HA 0.005 4.629 4.640 -0.027 0.000 0.248 73 D C 1.034 177.280 176.300 -0.090 0.000 1.154 73 D CA 0.067 54.021 54.000 -0.077 0.000 0.857 73 D CB 1.350 42.094 40.800 -0.094 0.000 1.117 73 D HN 0.026 nan 8.370 nan 0.000 0.468 74 S N 2.800 118.458 115.700 -0.069 0.000 2.359 74 S HA -0.174 4.279 4.470 -0.027 0.000 0.224 74 S C 1.949 176.503 174.600 -0.077 0.000 1.035 74 S CA 1.226 59.393 58.200 -0.054 0.000 1.018 74 S CB -0.511 62.673 63.200 -0.026 0.000 0.876 74 S HN 0.406 nan 8.310 nan 0.000 0.448 75 V N 2.054 121.915 119.914 -0.089 0.000 2.407 75 V HA -0.101 4.003 4.120 -0.027 0.000 0.248 75 V C 2.750 178.730 176.094 -0.191 0.000 1.055 75 V CA 1.953 64.190 62.300 -0.104 0.000 1.049 75 V CB -0.788 30.986 31.823 -0.082 0.000 0.662 75 V HN 0.481 nan 8.190 nan 0.000 0.455 76 K N 0.099 120.335 120.400 -0.274 0.000 2.097 76 K HA -0.117 4.186 4.320 -0.027 0.000 0.205 76 K C 2.251 178.434 176.600 -0.695 0.000 1.050 76 K CA 1.777 57.727 56.287 -0.562 0.000 0.938 76 K CB -0.283 31.879 32.500 -0.563 0.000 0.718 76 K HN 0.579 nan 8.250 nan 0.000 0.442 77 T N 1.048 115.411 114.554 -0.318 0.000 2.777 77 T HA -0.144 4.190 4.350 -0.027 0.000 0.266 77 T C 1.786 176.453 174.700 -0.055 0.000 1.040 77 T CA 1.091 63.121 62.100 -0.117 0.000 1.141 77 T CB -0.164 68.691 68.868 -0.020 0.000 0.868 77 T HN 0.267 nan 8.240 nan 0.000 0.444 78 Q N 0.797 120.552 119.800 -0.075 0.000 2.170 78 Q HA -0.101 4.223 4.340 -0.027 0.000 0.203 78 Q C 2.527 178.508 176.000 -0.032 0.000 0.976 78 Q CA 1.264 57.051 55.803 -0.026 0.000 0.858 78 Q CB -0.170 28.551 28.738 -0.028 0.000 0.907 78 Q HN 0.586 nan 8.270 nan 0.000 0.433 79 Q N -0.814 118.913 119.800 -0.121 0.000 2.096 79 Q HA -0.089 4.235 4.340 -0.027 0.000 0.197 79 Q C 1.595 177.605 176.000 0.017 0.000 0.964 79 Q CA 0.909 56.650 55.803 -0.104 0.000 0.838 79 Q CB 0.115 28.732 28.738 -0.201 0.000 0.906 79 Q HN 0.297 nan 8.270 nan 0.000 0.444 80 F N 0.347 120.263 119.950 -0.057 0.000 2.171 80 F HA -0.125 4.387 4.527 -0.026 0.000 0.300 80 F C 2.270 178.064 175.800 -0.010 0.000 1.090 80 F CA 0.921 58.874 58.000 -0.077 0.000 1.293 80 F CB -1.160 37.813 39.000 -0.045 0.000 1.013 80 F HN 0.087 nan 8.300 nan 0.000 0.486 81 A N -0.446 122.504 122.820 0.217 0.000 1.898 81 A HA -0.163 4.141 4.320 -0.027 0.000 0.216 81 A C 2.202 179.895 177.584 0.181 0.000 1.181 81 A CA 1.204 53.360 52.037 0.198 0.000 0.620 81 A CB -0.566 18.533 19.000 0.166 0.000 0.819 81 A HN 0.256 nan 8.150 nan 0.000 0.442 82 Q N -0.643 119.222 119.800 0.109 0.000 2.167 82 Q HA -0.139 4.184 4.340 -0.027 0.000 0.202 82 Q C 2.175 178.198 176.000 0.037 0.000 0.970 82 Q CA 1.554 57.392 55.803 0.059 0.000 0.855 82 Q CB -0.356 28.399 28.738 0.029 0.000 0.911 82 Q HN 0.785 nan 8.270 nan 0.000 0.438 83 R N -0.029 120.486 120.500 0.026 0.000 2.062 83 R HA -0.136 4.187 4.340 -0.027 0.000 0.231 83 R C 2.119 178.431 176.300 0.021 0.000 1.136 83 R CA 1.317 57.379 56.100 -0.063 0.000 0.948 83 R CB -0.463 29.682 30.300 -0.258 0.000 0.845 83 R HN 0.397 nan 8.270 nan 0.000 0.430 84 W N 1.335 122.600 121.300 -0.058 0.000 2.338 84 W HA -0.227 4.417 4.660 -0.027 0.000 0.304 84 W C 1.561 178.101 176.519 0.036 0.000 1.212 84 W CA 1.453 58.843 57.345 0.075 0.000 1.264 84 W CB -0.291 29.231 29.460 0.103 0.000 1.142 84 W HN 0.170 nan 8.180 nan 0.000 0.512 85 I N 1.052 121.678 120.570 0.094 0.000 2.252 85 I HA -0.310 3.844 4.170 -0.027 0.000 0.245 85 I C 2.558 178.601 176.117 -0.123 0.000 1.102 85 I CA 2.230 63.498 61.300 -0.053 0.000 1.385 85 I CB -0.541 37.440 38.000 -0.031 0.000 1.064 85 I HN 0.010 nan 8.210 nan 0.000 0.414 86 T N -3.687 110.822 114.554 -0.076 0.000 3.023 86 T HA 0.061 4.394 4.350 -0.027 0.000 0.249 86 T C 1.683 176.342 174.700 -0.069 0.000 1.050 86 T CA 0.010 62.067 62.100 -0.072 0.000 1.088 86 T CB 0.199 69.041 68.868 -0.044 0.000 0.946 86 T HN 0.070 nan 8.240 nan 0.000 0.480 87 Q N 0.931 120.699 119.800 -0.053 0.000 2.402 87 Q HA 0.343 4.667 4.340 -0.027 0.000 0.206 87 Q C 0.339 176.325 176.000 -0.024 0.000 0.919 87 Q CA 0.254 56.049 55.803 -0.012 0.000 0.923 87 Q CB 0.526 29.285 28.738 0.035 0.000 1.048 87 Q HN 0.448 nan 8.270 nan 0.000 0.515 88 V N 2.163 122.001 119.914 -0.126 0.000 2.398 88 V HA 0.305 4.408 4.120 -0.027 0.000 0.286 88 V C 0.381 176.297 176.094 -0.297 0.000 1.026 88 V CA -0.945 61.207 62.300 -0.248 0.000 0.868 88 V CB 1.505 33.033 31.823 -0.492 0.000 0.982 88 V HN 0.180 nan 8.190 nan 0.000 0.443 89 S N 6.181 121.747 115.700 -0.223 0.000 2.579 89 S HA 0.223 4.677 4.470 -0.027 0.000 0.275 89 S C -1.177 173.283 174.600 -0.233 0.000 1.345 89 S CA -0.712 57.375 58.200 -0.189 0.000 1.031 89 S CB 0.897 64.017 63.200 -0.132 0.000 0.892 89 S HN 0.639 nan 8.310 nan 0.000 0.529 90 P HA -0.101 nan 4.420 nan 0.000 0.218 90 P C 0.788 177.997 177.300 -0.152 0.000 1.148 90 P CA 1.243 64.240 63.100 -0.171 0.000 0.822 90 P CB 0.028 31.662 31.700 -0.111 0.000 0.784 91 E N 0.439 120.562 120.200 -0.127 0.000 2.072 91 E HA -0.066 4.268 4.350 -0.027 0.000 0.191 91 E C 2.339 178.866 176.600 -0.123 0.000 0.985 91 E CA 1.475 57.812 56.400 -0.105 0.000 0.801 91 E CB -1.149 28.502 29.700 -0.082 0.000 0.750 91 E HN 0.183 nan 8.360 nan 0.000 0.452 92 A N 1.175 123.903 122.820 -0.153 0.000 1.898 92 A HA -0.220 4.084 4.320 -0.027 0.000 0.216 92 A C 1.919 179.386 177.584 -0.195 0.000 1.181 92 A CA 1.656 53.594 52.037 -0.166 0.000 0.620 92 A CB -0.381 18.509 19.000 -0.183 0.000 0.819 92 A HN 0.080 nan 8.150 nan 0.000 0.442 93 K N -0.034 120.185 120.400 -0.303 0.000 2.074 93 K HA -0.165 4.139 4.320 -0.027 0.000 0.209 93 K C 1.921 178.435 176.600 -0.142 0.000 1.048 93 K CA 1.487 57.586 56.287 -0.314 0.000 0.926 93 K CB -0.219 32.011 32.500 -0.451 0.000 0.713 93 K HN 0.424 nan 8.250 nan 0.000 0.444 94 N N 0.425 119.035 118.700 -0.149 0.000 2.120 94 N HA -0.161 4.563 4.740 -0.027 0.000 0.188 94 N C 1.838 177.296 175.510 -0.086 0.000 1.024 94 N CA 1.098 54.076 53.050 -0.120 0.000 0.852 94 N CB 0.031 38.466 38.487 -0.086 0.000 1.003 94 N HN 0.230 nan 8.380 nan 0.000 0.424 95 Q N 0.777 120.532 119.800 -0.076 0.000 2.079 95 Q HA 0.031 4.355 4.340 -0.027 0.000 0.200 95 Q C 2.312 178.288 176.000 -0.041 0.000 0.974 95 Q CA 0.624 56.394 55.803 -0.055 0.000 0.840 95 Q CB -0.238 28.462 28.738 -0.063 0.000 0.898 95 Q HN 0.448 nan 8.270 nan 0.000 0.430 96 I N 0.625 121.176 120.570 -0.031 0.000 2.226 96 I HA -0.301 3.852 4.170 -0.027 0.000 0.245 96 I C 2.291 178.405 176.117 -0.004 0.000 1.100 96 I CA 1.228 62.535 61.300 0.011 0.000 1.374 96 I CB -0.158 37.921 38.000 0.131 0.000 1.057 96 I HN 0.118 nan 8.210 nan 0.000 0.413 97 K N 0.077 120.434 120.400 -0.071 0.000 2.026 97 K HA -0.142 4.162 4.320 -0.027 0.000 0.208 97 K C 2.154 178.768 176.600 0.024 0.000 1.048 97 K CA 1.922 58.099 56.287 -0.184 0.000 0.929 97 K CB -0.407 31.737 32.500 -0.594 0.000 0.713 97 K HN 0.261 nan 8.250 nan 0.000 0.439 98 T N 1.593 116.156 114.554 0.014 0.000 2.720 98 T HA -0.111 4.223 4.350 -0.027 0.000 0.268 98 T C 1.554 176.285 174.700 0.052 0.000 1.037 98 T CA 1.423 63.557 62.100 0.056 0.000 1.144 98 T CB -0.238 68.645 68.868 0.025 0.000 0.864 98 T HN 0.201 nan 8.240 nan 0.000 0.444 99 N N 1.298 120.012 118.700 0.024 0.000 2.188 99 N HA 0.047 4.771 4.740 -0.027 0.000 0.184 99 N C 2.106 177.639 175.510 0.037 0.000 1.018 99 N CA 1.189 54.250 53.050 0.018 0.000 0.858 99 N CB -0.610 37.871 38.487 -0.009 0.000 0.989 99 N HN 0.417 nan 8.380 nan 0.000 0.426 100 A N 1.164 124.018 122.820 0.056 0.000 1.902 100 A HA -0.052 4.252 4.320 -0.027 0.000 0.217 100 A C 2.320 179.972 177.584 0.113 0.000 1.181 100 A CA 0.961 53.048 52.037 0.083 0.000 0.623 100 A CB -0.737 18.330 19.000 0.111 0.000 0.818 100 A HN 0.220 nan 8.150 nan 0.000 0.443 101 L N -0.825 120.487 121.223 0.148 0.000 2.141 101 L HA -0.122 4.202 4.340 -0.027 0.000 0.209 101 L C 2.688 179.606 176.870 0.081 0.000 1.094 101 L CA 1.508 56.429 54.840 0.136 0.000 0.763 101 L CB -0.676 41.491 42.059 0.180 0.000 0.908 101 L HN 0.335 nan 8.230 nan 0.000 0.437 102 T N -0.151 114.442 114.554 0.065 0.000 2.777 102 T HA -0.128 4.206 4.350 -0.027 0.000 0.266 102 T C 2.019 176.740 174.700 0.035 0.000 1.040 102 T CA 1.316 63.441 62.100 0.042 0.000 1.141 102 T CB -0.154 68.732 68.868 0.030 0.000 0.868 102 T HN 0.433 nan 8.240 nan 0.000 0.444 103 A N 1.161 124.003 122.820 0.037 0.000 1.969 103 A HA 0.052 4.356 4.320 -0.027 0.000 0.218 103 A C 2.193 179.799 177.584 0.037 0.000 1.169 103 A CA 0.924 52.980 52.037 0.031 0.000 0.635 103 A CB -0.805 18.212 19.000 0.028 0.000 0.810 103 A HN 0.385 nan 8.150 nan 0.000 0.445 104 L N 0.487 121.739 121.223 0.048 0.000 2.089 104 L HA -0.178 4.146 4.340 -0.027 0.000 0.213 104 L C 2.242 179.132 176.870 0.034 0.000 1.079 104 L CA 2.419 57.287 54.840 0.047 0.000 0.758 104 L CB -0.297 41.794 42.059 0.054 0.000 0.891 104 L HN 0.417 nan 8.230 nan 0.000 0.433 105 V N -3.780 116.152 119.914 0.030 0.000 3.649 105 V HA 0.169 4.273 4.120 -0.027 0.000 0.275 105 V C 1.237 177.342 176.094 0.018 0.000 1.281 105 V CA 0.225 62.538 62.300 0.022 0.000 1.143 105 V CB -0.983 30.852 31.823 0.020 0.000 0.892 105 V HN 0.356 nan 8.190 nan 0.000 0.441 106 S N 0.641 116.353 115.700 0.020 0.000 2.558 106 S HA 0.112 4.565 4.470 -0.027 0.000 0.291 106 S C 0.960 175.569 174.600 0.015 0.000 1.306 106 S CA -0.257 57.953 58.200 0.017 0.000 1.056 106 S CB 0.359 63.569 63.200 0.018 0.000 0.836 106 S HN 0.418 nan 8.310 nan 0.000 0.504 107 I N 2.470 123.047 120.570 0.012 0.000 3.444 107 I HA 0.136 4.290 4.170 -0.027 0.000 0.287 107 I C 0.839 176.962 176.117 0.010 0.000 1.302 107 I CA 0.621 61.927 61.300 0.010 0.000 1.368 107 I CB -0.825 37.179 38.000 0.008 0.000 1.048 107 I HN 0.688 nan 8.210 nan 0.000 0.487 108 E N 2.361 122.568 120.200 0.012 0.000 2.046 108 E HA 0.210 4.544 4.350 -0.027 0.000 0.279 108 E C -1.585 175.025 176.600 0.017 0.000 0.989 108 E CA -2.183 54.225 56.400 0.013 0.000 0.798 108 E CB 0.973 30.680 29.700 0.012 0.000 1.086 108 E HN 0.037 nan 8.360 nan 0.000 0.399 109 P HA -0.182 nan 4.420 nan 0.000 0.219 109 P C 0.734 178.052 177.300 0.030 0.000 1.146 109 P CA 1.006 64.120 63.100 0.023 0.000 0.808 109 P CB 0.351 32.062 31.700 0.020 0.000 0.779 110 R N -0.713 119.802 120.500 0.026 0.000 2.090 110 R HA 0.015 4.339 4.340 -0.027 0.000 0.228 110 R C 2.386 178.702 176.300 0.027 0.000 1.110 110 R CA 0.902 57.019 56.100 0.027 0.000 0.973 110 R CB -0.479 29.833 30.300 0.020 0.000 0.869 110 R HN 0.238 nan 8.270 nan 0.000 0.440 111 I N 0.644 121.228 120.570 0.023 0.000 2.202 111 I HA -0.153 4.001 4.170 -0.027 0.000 0.242 111 I C 2.491 178.627 176.117 0.031 0.000 1.091 111 I CA 1.128 62.441 61.300 0.022 0.000 1.368 111 I CB -1.222 36.789 38.000 0.018 0.000 1.058 111 I HN 0.076 nan 8.210 nan 0.000 0.410 112 A N 0.771 123.612 122.820 0.035 0.000 2.076 112 A HA -0.219 4.085 4.320 -0.027 0.000 0.220 112 A C 2.159 179.784 177.584 0.068 0.000 1.160 112 A CA 1.677 53.741 52.037 0.045 0.000 0.653 112 A CB -0.752 18.270 19.000 0.036 0.000 0.801 112 A HN 0.490 nan 8.150 nan 0.000 0.455 113 N N -0.223 118.521 118.700 0.073 0.000 2.220 113 N HA -0.015 4.709 4.740 -0.027 0.000 0.182 113 N C 2.010 177.574 175.510 0.092 0.000 1.023 113 N CA 1.121 54.242 53.050 0.119 0.000 0.856 113 N CB -0.111 38.439 38.487 0.105 0.000 0.997 113 N HN 0.389 nan 8.380 nan 0.000 0.429 114 A N 1.222 124.066 122.820 0.040 0.000 1.898 114 A HA 0.023 4.327 4.320 -0.027 0.000 0.216 114 A C 2.346 179.931 177.584 0.003 0.000 1.181 114 A CA 1.754 53.790 52.037 -0.000 0.000 0.620 114 A CB -0.804 18.194 19.000 -0.002 0.000 0.819 114 A HN 0.369 nan 8.150 nan 0.000 0.442 115 A N 0.065 122.902 122.820 0.029 0.000 1.917 115 A HA 0.053 4.357 4.320 -0.027 0.000 0.219 115 A C 2.513 180.135 177.584 0.063 0.000 1.182 115 A CA 2.379 54.441 52.037 0.042 0.000 0.633 115 A CB -1.095 17.936 19.000 0.051 0.000 0.819 115 A HN 1.126 nan 8.150 nan 0.000 0.448 116 A N -0.605 122.274 122.820 0.097 0.000 1.883 116 A HA -0.255 4.049 4.320 -0.027 0.000 0.217 116 A C 2.134 179.796 177.584 0.129 0.000 1.186 116 A CA 1.762 53.903 52.037 0.173 0.000 0.624 116 A CB -0.645 18.544 19.000 0.315 0.000 0.822 116 A HN 0.694 nan 8.150 nan 0.000 0.444 117 Q N -1.142 118.615 119.800 -0.072 0.000 2.084 117 Q HA -0.139 4.185 4.340 -0.027 0.000 0.202 117 Q C 2.128 178.057 176.000 -0.118 0.000 0.978 117 Q CA 1.396 57.023 55.803 -0.294 0.000 0.844 117 Q CB -0.377 28.120 28.738 -0.401 0.000 0.898 117 Q HN 0.610 nan 8.270 nan 0.000 0.426 118 L N 0.835 122.025 121.223 -0.054 0.000 2.027 118 L HA -0.127 4.196 4.340 -0.027 0.000 0.206 118 L C 2.057 178.935 176.870 0.013 0.000 1.074 118 L CA 1.482 56.302 54.840 -0.034 0.000 0.745 118 L CB -0.346 41.700 42.059 -0.022 0.000 0.898 118 L HN 0.143 nan 8.230 nan 0.000 0.433 119 I N -0.040 120.582 120.570 0.087 0.000 2.194 119 I HA -0.350 3.803 4.170 -0.027 0.000 0.246 119 I C 2.587 178.794 176.117 0.150 0.000 1.093 119 I CA 1.335 62.757 61.300 0.203 0.000 1.355 119 I CB -0.649 37.453 38.000 0.170 0.000 1.046 119 I HN 0.423 nan 8.210 nan 0.000 0.413 120 A N 0.515 123.375 122.820 0.068 0.000 1.898 120 A HA -0.112 4.192 4.320 -0.027 0.000 0.216 120 A C 2.537 180.132 177.584 0.019 0.000 1.181 120 A CA 1.697 53.760 52.037 0.043 0.000 0.620 120 A CB -0.754 18.285 19.000 0.065 0.000 0.819 120 A HN 0.430 nan 8.150 nan 0.000 0.442 121 A N 0.010 122.820 122.820 -0.016 0.000 1.898 121 A HA -0.051 4.253 4.320 -0.027 0.000 0.216 121 A C 2.091 179.616 177.584 -0.100 0.000 1.181 121 A CA 1.481 53.487 52.037 -0.051 0.000 0.620 121 A CB -0.587 18.367 19.000 -0.077 0.000 0.819 121 A HN 0.498 nan 8.150 nan 0.000 0.442 122 I N -0.255 120.244 120.570 -0.117 0.000 2.315 122 I HA -0.240 3.914 4.170 -0.027 0.000 0.248 122 I C 2.930 179.087 176.117 0.066 0.000 1.117 122 I CA 0.953 62.115 61.300 -0.230 0.000 1.404 122 I CB -0.350 37.483 38.000 -0.278 0.000 1.071 122 I HN 0.341 nan 8.210 nan 0.000 0.419 123 A N 0.577 123.534 122.820 0.227 0.000 1.902 123 A HA -0.249 4.055 4.320 -0.027 0.000 0.217 123 A C 1.931 179.570 177.584 0.092 0.000 1.181 123 A CA 2.036 54.194 52.037 0.202 0.000 0.623 123 A CB -0.621 18.407 19.000 0.047 0.000 0.818 123 A HN 0.317 nan 8.150 nan 0.000 0.443 124 D N 0.072 120.496 120.400 0.039 0.000 2.133 124 D HA -0.182 4.442 4.640 -0.027 0.000 0.192 124 D C 1.753 178.087 176.300 0.055 0.000 1.001 124 D CA 1.624 55.638 54.000 0.024 0.000 0.844 124 D CB -0.289 40.520 40.800 0.015 0.000 0.944 124 D HN 0.568 nan 8.370 nan 0.000 0.447 125 I N 0.392 121.001 120.570 0.065 0.000 2.277 125 I HA -0.130 4.024 4.170 -0.027 0.000 0.243 125 I C 2.260 178.531 176.117 0.257 0.000 1.094 125 I CA 0.905 62.288 61.300 0.138 0.000 1.393 125 I CB -0.086 37.954 38.000 0.066 0.000 1.078 125 I HN -0.060 nan 8.210 nan 0.000 0.417 126 E N 0.556 120.902 120.200 0.244 0.000 2.122 126 E HA -0.031 4.302 4.350 -0.027 0.000 0.190 126 E C 2.379 179.145 176.600 0.278 0.000 0.977 126 E CA 0.653 57.249 56.400 0.326 0.000 0.820 126 E CB 0.119 30.041 29.700 0.369 0.000 0.770 126 E HN 0.426 nan 8.360 nan 0.000 0.462 127 L N 0.985 122.324 121.223 0.193 0.000 2.046 127 L HA -0.124 4.200 4.340 -0.027 0.000 0.208 127 L C -0.540 176.362 176.870 0.053 0.000 1.077 127 L CA 1.167 56.073 54.840 0.110 0.000 0.747 127 L CB -1.539 40.539 42.059 0.032 0.000 0.896 127 L HN 0.084 nan 8.230 nan 0.000 0.432 128 P HA -0.155 nan 4.420 nan 0.000 0.221 128 P C 1.133 178.313 177.300 -0.200 0.000 1.145 128 P CA 1.387 64.412 63.100 -0.126 0.000 0.795 128 P CB -0.049 31.523 31.700 -0.214 0.000 0.775 129 H N -2.881 116.237 119.070 0.080 0.000 2.622 129 H HA 0.290 4.830 4.556 -0.027 0.000 0.269 129 H C 1.481 176.857 175.328 0.080 0.000 0.977 129 H CA 0.947 57.042 56.048 0.079 0.000 1.179 129 H CB 0.291 30.108 29.762 0.092 0.000 1.458 129 H HN 0.123 nan 8.280 nan 0.000 0.531 130 G N 1.136 110.042 108.800 0.177 0.000 2.143 130 G HA2 -0.260 3.684 3.960 -0.027 0.000 0.249 130 G HA3 -0.260 3.684 3.960 -0.027 0.000 0.249 130 G C 0.503 175.504 174.900 0.169 0.000 0.981 130 G CA 0.300 45.485 45.100 0.141 0.000 0.665 130 G HN 0.665 nan 8.290 nan 0.000 0.528 131 A N -1.063 121.888 122.820 0.218 0.000 2.322 131 A HA 0.556 4.859 4.320 -0.027 0.000 0.269 131 A C 0.956 178.743 177.584 0.338 0.000 1.094 131 A CA 0.637 52.808 52.037 0.224 0.000 0.807 131 A CB 0.140 19.267 19.000 0.211 0.000 1.047 131 A HN 1.596 nan 8.150 nan 0.000 0.487 132 W N 1.191 122.548 121.300 0.095 0.000 5.432 132 W HA -0.104 4.540 4.660 -0.027 0.000 0.413 132 W C -2.125 174.423 176.519 0.049 0.000 1.618 132 W CA 0.096 57.486 57.345 0.074 0.000 0.942 132 W CB -1.967 27.540 29.460 0.079 0.000 2.830 132 W HN 0.640 nan 8.180 nan 0.000 1.362 133 P HA -0.174 nan 4.420 nan 0.000 0.218 133 P C 1.369 178.723 177.300 0.089 0.000 1.149 133 P CA 2.401 65.582 63.100 0.134 0.000 0.817 133 P CB 0.236 32.002 31.700 0.111 0.000 0.785 134 E N -0.745 119.557 120.200 0.169 0.000 2.268 134 E HA -0.128 4.206 4.350 -0.027 0.000 0.195 134 E C 1.772 178.332 176.600 -0.066 0.000 0.995 134 E CA 0.421 56.883 56.400 0.103 0.000 0.836 134 E CB -0.974 28.853 29.700 0.211 0.000 0.763 134 E HN 0.168 nan 8.360 nan 0.000 0.491 135 L N 0.011 121.037 121.223 -0.327 0.000 1.994 135 L HA -0.142 4.182 4.340 -0.027 0.000 0.208 135 L C 1.924 178.575 176.870 -0.365 0.000 1.071 135 L CA 1.738 56.176 54.840 -0.670 0.000 0.745 135 L CB -0.304 40.915 42.059 -1.400 0.000 0.892 135 L HN 0.123 nan 8.230 nan 0.000 0.431 136 M N -0.476 118.969 119.600 -0.258 0.000 2.159 136 M HA -0.183 4.281 4.480 -0.027 0.000 0.263 136 M C 2.229 178.460 176.300 -0.116 0.000 1.063 136 M CA 1.397 56.596 55.300 -0.168 0.000 1.110 136 M CB -1.266 31.261 32.600 -0.121 0.000 1.374 136 M HN 0.270 nan 8.290 nan 0.000 0.411 137 K N 0.689 121.033 120.400 -0.092 0.000 2.026 137 K HA -0.069 4.235 4.320 -0.027 0.000 0.208 137 K C 1.939 178.505 176.600 -0.056 0.000 1.048 137 K CA 1.245 57.498 56.287 -0.058 0.000 0.929 137 K CB -0.443 32.038 32.500 -0.032 0.000 0.713 137 K HN 0.323 nan 8.250 nan 0.000 0.439 138 I N 1.145 121.675 120.570 -0.067 0.000 2.264 138 I HA -0.320 3.834 4.170 -0.027 0.000 0.248 138 I C 2.397 178.474 176.117 -0.066 0.000 1.111 138 I CA 0.976 62.244 61.300 -0.054 0.000 1.382 138 I CB -0.170 37.803 38.000 -0.045 0.000 1.060 138 I HN 0.159 nan 8.210 nan 0.000 0.418 139 M N -0.343 119.197 119.600 -0.100 0.000 2.175 139 M HA -0.120 4.344 4.480 -0.027 0.000 0.264 139 M C 2.483 178.745 176.300 -0.063 0.000 1.063 139 M CA 1.435 56.681 55.300 -0.089 0.000 1.119 139 M CB -0.971 31.559 32.600 -0.116 0.000 1.377 139 M HN 0.119 nan 8.290 nan 0.000 0.415 140 V N 0.609 120.487 119.914 -0.059 0.000 2.295 140 V HA -0.257 3.847 4.120 -0.027 0.000 0.246 140 V C 2.026 178.099 176.094 -0.035 0.000 1.049 140 V CA 1.812 64.085 62.300 -0.045 0.000 1.024 140 V CB -0.740 31.056 31.823 -0.045 0.000 0.648 140 V HN 0.319 nan 8.190 nan 0.000 0.447 141 D N 0.427 120.808 120.400 -0.032 0.000 2.116 141 D HA -0.161 4.463 4.640 -0.027 0.000 0.193 141 D C 2.004 178.293 176.300 -0.019 0.000 0.998 141 D CA 1.363 55.350 54.000 -0.022 0.000 0.836 141 D CB -0.406 40.384 40.800 -0.016 0.000 0.951 141 D HN 0.343 nan 8.370 nan 0.000 0.449 142 N N -0.541 118.145 118.700 -0.023 0.000 2.453 142 N HA -0.072 4.652 4.740 -0.027 0.000 0.183 142 N C 1.378 176.877 175.510 -0.019 0.000 1.041 142 N CA 1.072 54.111 53.050 -0.019 0.000 0.900 142 N CB -0.090 38.384 38.487 -0.022 0.000 0.961 142 N HN 0.321 nan 8.380 nan 0.000 0.443 143 T N -3.645 110.894 114.554 -0.024 0.000 3.069 143 T HA 0.290 4.624 4.350 -0.027 0.000 0.252 143 T C 1.010 175.699 174.700 -0.018 0.000 1.053 143 T CA -0.458 61.629 62.100 -0.022 0.000 0.964 143 T CB 0.017 68.868 68.868 -0.028 0.000 1.005 143 T HN 0.037 nan 8.240 nan 0.000 0.532 144 G N 0.605 109.395 108.800 -0.017 0.000 2.554 144 G HA2 0.437 4.381 3.960 -0.027 0.000 0.238 144 G HA3 0.437 4.381 3.960 -0.027 0.000 0.238 144 G C 1.249 176.143 174.900 -0.011 0.000 1.259 144 G CA -0.256 44.836 45.100 -0.014 0.000 0.843 144 G HN 0.357 nan 8.290 nan 0.000 0.582 145 A N 1.151 123.965 122.820 -0.009 0.000 1.915 145 A HA -0.183 4.121 4.320 -0.027 0.000 0.220 145 A C 2.174 179.754 177.584 -0.007 0.000 1.198 145 A CA 2.251 54.284 52.037 -0.007 0.000 0.647 145 A CB -0.305 18.692 19.000 -0.005 0.000 0.825 145 A HN 0.759 nan 8.150 nan 0.000 0.456 146 E N 0.397 120.593 120.200 -0.006 0.000 2.482 146 E HA -0.062 4.272 4.350 -0.027 0.000 0.196 146 E C 0.099 176.696 176.600 -0.005 0.000 1.047 146 E CA 0.159 56.556 56.400 -0.005 0.000 0.869 146 E CB -0.358 29.339 29.700 -0.005 0.000 0.836 146 E HN 0.592 nan 8.360 nan 0.000 0.520 147 Q N 1.961 121.757 119.800 -0.006 0.000 2.340 147 Q HA 0.294 4.618 4.340 -0.027 0.000 0.249 147 Q C -2.092 173.905 176.000 -0.004 0.000 0.957 147 Q CA -2.014 53.786 55.803 -0.005 0.000 0.882 147 Q CB 0.266 29.000 28.738 -0.007 0.000 1.235 147 Q HN 0.089 nan 8.270 nan 0.000 0.439 148 P HA -0.094 nan 4.420 nan 0.000 0.267 148 P C 0.671 177.969 177.300 -0.003 0.000 1.201 148 P CA 0.176 63.275 63.100 -0.002 0.000 0.775 148 P CB 0.584 32.284 31.700 0.000 0.000 0.854 149 E N 2.340 122.538 120.200 -0.004 0.000 2.085 149 E HA -0.289 4.045 4.350 -0.027 0.000 0.194 149 E C 1.468 178.065 176.600 -0.005 0.000 0.994 149 E CA 1.502 57.898 56.400 -0.005 0.000 0.801 149 E CB -0.194 29.503 29.700 -0.004 0.000 0.743 149 E HN 0.493 nan 8.360 nan 0.000 0.453 150 N N 0.488 119.187 118.700 -0.001 0.000 2.106 150 N HA -0.149 4.575 4.740 -0.027 0.000 0.188 150 N C 2.030 177.540 175.510 0.001 0.000 1.029 150 N CA 1.611 54.661 53.050 0.001 0.000 0.848 150 N CB -0.702 37.788 38.487 0.005 0.000 1.007 150 N HN 0.065 nan 8.380 nan 0.000 0.423 151 V N 1.841 121.756 119.914 0.001 0.000 2.252 151 V HA -0.264 3.840 4.120 -0.027 0.000 0.249 151 V C 2.651 178.741 176.094 -0.007 0.000 1.056 151 V CA 2.087 64.388 62.300 0.000 0.000 1.022 151 V CB -0.668 31.155 31.823 0.000 0.000 0.641 151 V HN 0.347 nan 8.190 nan 0.000 0.445 152 K N -0.335 120.059 120.400 -0.010 0.000 2.032 152 K HA -0.231 4.073 4.320 -0.027 0.000 0.209 152 K C 2.428 179.016 176.600 -0.021 0.000 1.048 152 K CA 1.814 58.091 56.287 -0.016 0.000 0.927 152 K CB -0.331 32.160 32.500 -0.015 0.000 0.712 152 K HN 0.343 nan 8.250 nan 0.000 0.441 153 R N 0.938 121.428 120.500 -0.018 0.000 2.073 153 R HA -0.108 4.215 4.340 -0.027 0.000 0.234 153 R C 2.208 178.492 176.300 -0.026 0.000 1.134 153 R CA 1.583 57.669 56.100 -0.023 0.000 0.952 153 R CB -0.270 30.021 30.300 -0.015 0.000 0.850 153 R HN 0.203 nan 8.270 nan 0.000 0.433 154 A N 0.161 122.974 122.820 -0.011 0.000 1.969 154 A HA -0.058 4.245 4.320 -0.027 0.000 0.218 154 A C 2.182 179.762 177.584 -0.006 0.000 1.169 154 A CA 1.576 53.614 52.037 0.001 0.000 0.635 154 A CB -0.290 18.721 19.000 0.019 0.000 0.810 154 A HN 0.445 nan 8.150 nan 0.000 0.445 155 S N -0.055 115.635 115.700 -0.017 0.000 2.383 155 S HA -0.040 4.414 4.470 -0.027 0.000 0.227 155 S C 1.770 176.341 174.600 -0.048 0.000 1.026 155 S CA 1.255 59.437 58.200 -0.030 0.000 0.981 155 S CB -0.395 62.785 63.200 -0.033 0.000 0.818 155 S HN 0.517 nan 8.310 nan 0.000 0.472 156 L N 1.069 122.260 121.223 -0.053 0.000 2.083 156 L HA -0.047 4.277 4.340 -0.027 0.000 0.209 156 L C 2.304 179.109 176.870 -0.109 0.000 1.083 156 L CA 0.883 55.681 54.840 -0.070 0.000 0.752 156 L CB -0.456 41.566 42.059 -0.061 0.000 0.899 156 L HN 0.285 nan 8.230 nan 0.000 0.433 157 L N -0.515 120.631 121.223 -0.128 0.000 2.046 157 L HA -0.221 4.102 4.340 -0.027 0.000 0.208 157 L C 2.810 179.529 176.870 -0.251 0.000 1.077 157 L CA 1.288 55.972 54.840 -0.259 0.000 0.747 157 L CB -0.433 41.515 42.059 -0.184 0.000 0.896 157 L HN 0.289 nan 8.230 nan 0.000 0.432 158 A N -0.014 122.780 122.820 -0.043 0.000 1.877 158 A HA -0.190 4.114 4.320 -0.027 0.000 0.216 158 A C 2.158 179.747 177.584 0.008 0.000 1.186 158 A CA 1.308 53.382 52.037 0.062 0.000 0.620 158 A CB -0.690 18.329 19.000 0.033 0.000 0.822 158 A HN 0.373 nan 8.150 nan 0.000 0.443 159 L N -0.530 120.661 121.223 -0.053 0.000 2.012 159 L HA -0.170 4.154 4.340 -0.027 0.000 0.210 159 L C 2.889 179.729 176.870 -0.049 0.000 1.073 159 L CA 1.222 56.024 54.840 -0.063 0.000 0.748 159 L CB -1.135 40.883 42.059 -0.068 0.000 0.891 159 L HN 0.506 nan 8.230 nan 0.000 0.431 160 G N -0.622 108.125 108.800 -0.089 0.000 2.631 160 G HA2 -0.345 3.598 3.960 -0.027 0.000 0.219 160 G HA3 -0.345 3.598 3.960 -0.027 0.000 0.219 160 G C 1.294 176.173 174.900 -0.035 0.000 1.214 160 G CA 1.194 46.229 45.100 -0.109 0.000 0.785 160 G HN 0.222 nan 8.290 nan 0.000 0.596 161 Y N 0.246 120.543 120.300 -0.005 0.000 2.151 161 Y HA -0.077 4.456 4.550 -0.027 0.000 0.284 161 Y C 3.151 179.042 175.900 -0.016 0.000 1.166 161 Y CA 1.200 59.298 58.100 -0.003 0.000 1.163 161 Y CB -0.709 37.748 38.460 -0.005 0.000 0.974 161 Y HN 0.124 nan 8.280 nan 0.000 0.511 162 M N -1.408 118.263 119.600 0.117 0.000 2.082 162 M HA -0.331 4.133 4.480 -0.027 0.000 0.258 162 M C 2.268 178.538 176.300 -0.050 0.000 1.069 162 M CA 1.911 57.212 55.300 0.001 0.000 1.102 162 M CB -0.688 31.872 32.600 -0.067 0.000 1.336 162 M HN 0.341 nan 8.290 nan 0.000 0.404 163 C N -0.047 119.238 119.300 -0.026 0.000 2.446 163 C HA -0.098 4.346 4.460 -0.027 0.000 0.277 163 C C 2.369 177.470 174.990 0.184 0.000 1.275 163 C CA 0.719 59.745 59.018 0.013 0.000 1.727 163 C CB -1.064 26.764 27.740 0.147 0.000 2.010 163 C HN 0.560 nan 8.230 nan 0.000 0.486 164 E N 1.488 121.781 120.200 0.154 0.000 2.023 164 E HA -0.212 4.122 4.350 -0.027 0.000 0.196 164 E C 2.275 178.956 176.600 0.136 0.000 1.003 164 E CA 2.019 58.513 56.400 0.157 0.000 0.809 164 E CB -0.272 29.522 29.700 0.157 0.000 0.755 164 E HN 0.773 nan 8.360 nan 0.000 0.449 165 S N 0.955 116.716 115.700 0.103 0.000 2.423 165 S HA 0.055 4.509 4.470 -0.027 0.000 0.231 165 S C 1.122 175.758 174.600 0.060 0.000 1.014 165 S CA 0.256 58.498 58.200 0.070 0.000 0.965 165 S CB -0.202 63.026 63.200 0.046 0.000 0.785 165 S HN 0.285 nan 8.310 nan 0.000 0.495 166 A N 2.532 125.375 122.820 0.038 0.000 2.531 166 A HA 0.180 4.484 4.320 -0.027 0.000 0.236 166 A C 0.372 178.037 177.584 0.135 0.000 1.062 166 A CA -0.209 51.839 52.037 0.018 0.000 0.760 166 A CB -0.198 18.695 19.000 -0.178 0.000 0.995 166 A HN 0.442 nan 8.150 nan 0.000 0.501 167 D N 2.480 122.946 120.400 0.111 0.000 2.531 167 D HA 0.034 4.658 4.640 -0.027 0.000 0.239 167 D C -1.464 174.984 176.300 0.246 0.000 1.144 167 D CA -0.911 53.170 54.000 0.135 0.000 0.869 167 D CB 0.892 41.746 40.800 0.089 0.000 1.160 167 D HN 0.187 nan 8.370 nan 0.000 0.484 168 P HA -0.099 nan 4.420 nan 0.000 0.225 168 P C 0.669 178.014 177.300 0.076 0.000 1.148 168 P CA 0.889 64.062 63.100 0.121 0.000 0.779 168 P CB 0.305 32.010 31.700 0.008 0.000 0.780 169 Q N -0.414 119.453 119.800 0.112 0.000 2.198 169 Q HA 0.112 4.436 4.340 -0.027 0.000 0.209 169 Q C 0.140 176.215 176.000 0.125 0.000 0.848 169 Q CA -0.220 55.631 55.803 0.081 0.000 0.974 169 Q CB -0.166 28.596 28.738 0.041 0.000 1.115 169 Q HN 0.102 nan 8.270 nan 0.000 0.494 170 S N -0.743 115.078 115.700 0.203 0.000 2.585 170 S HA 0.130 4.584 4.470 -0.027 0.000 0.273 170 S C 0.724 175.413 174.600 0.149 0.000 1.339 170 S CA -0.431 57.854 58.200 0.142 0.000 1.028 170 S CB 1.116 64.374 63.200 0.097 0.000 0.906 170 S HN 0.260 nan 8.310 nan 0.000 0.528 171 Q N 0.844 120.687 119.800 0.073 0.000 2.352 171 Q HA 0.250 4.574 4.340 -0.027 0.000 0.212 171 Q C 2.103 178.122 176.000 0.032 0.000 0.888 171 Q CA 0.783 56.624 55.803 0.064 0.000 0.934 171 Q CB -0.008 28.754 28.738 0.040 0.000 1.093 171 Q HN 0.901 nan 8.270 nan 0.000 0.523 172 A N 0.836 123.651 122.820 -0.008 0.000 1.855 172 A HA -0.110 4.194 4.320 -0.027 0.000 0.215 172 A C 2.042 179.587 177.584 -0.065 0.000 1.191 172 A CA 0.991 53.005 52.037 -0.038 0.000 0.613 172 A CB -0.682 18.285 19.000 -0.055 0.000 0.829 172 A HN 0.328 nan 8.150 nan 0.000 0.442 173 L N -0.253 120.880 121.223 -0.150 0.000 2.201 173 L HA -0.126 4.198 4.340 -0.027 0.000 0.212 173 L C 2.430 179.282 176.870 -0.030 0.000 1.105 173 L CA 0.626 55.331 54.840 -0.226 0.000 0.775 173 L CB -0.501 41.129 42.059 -0.714 0.000 0.913 173 L HN 0.242 nan 8.230 nan 0.000 0.440 174 V N -0.310 119.656 119.914 0.087 0.000 2.307 174 V HA -0.263 3.841 4.120 -0.027 0.000 0.245 174 V C 2.715 178.849 176.094 0.067 0.000 1.045 174 V CA 2.036 64.420 62.300 0.140 0.000 1.024 174 V CB -0.477 31.443 31.823 0.162 0.000 0.651 174 V HN 0.628 nan 8.190 nan 0.000 0.449 175 S N 0.977 116.699 115.700 0.037 0.000 2.423 175 S HA -0.112 4.341 4.470 -0.027 0.000 0.231 175 S C 1.599 176.203 174.600 0.005 0.000 1.014 175 S CA 1.308 59.521 58.200 0.020 0.000 0.965 175 S CB -0.385 62.824 63.200 0.015 0.000 0.785 175 S HN 0.707 nan 8.310 nan 0.000 0.495 176 S N 1.055 116.750 115.700 -0.009 0.000 2.562 176 S HA 0.318 4.771 4.470 -0.027 0.000 0.246 176 S C 1.235 175.822 174.600 -0.021 0.000 1.056 176 S CA 0.070 58.256 58.200 -0.023 0.000 1.042 176 S CB 0.088 63.262 63.200 -0.045 0.000 0.822 176 S HN 0.601 nan 8.310 nan 0.000 0.465 177 S N 1.798 117.502 115.700 0.006 0.000 2.447 177 S HA -0.107 4.347 4.470 -0.027 0.000 0.233 177 S C 1.512 176.111 174.600 -0.001 0.000 1.006 177 S CA 0.799 59.013 58.200 0.022 0.000 0.957 177 S CB -0.577 62.661 63.200 0.063 0.000 0.773 177 S HN 0.500 nan 8.310 nan 0.000 0.507 178 N N 2.956 121.647 118.700 -0.015 0.000 2.084 178 N HA 0.010 4.734 4.740 -0.027 0.000 0.190 178 N C 1.510 176.997 175.510 -0.038 0.000 1.030 178 N CA 1.447 54.478 53.050 -0.031 0.000 0.849 178 N CB -0.640 37.827 38.487 -0.034 0.000 1.012 178 N HN 0.421 nan 8.380 nan 0.000 0.423 179 N N 0.504 119.180 118.700 -0.039 0.000 2.270 179 N HA 0.058 4.782 4.740 -0.027 0.000 0.181 179 N C 1.774 177.255 175.510 -0.049 0.000 1.016 179 N CA 0.311 53.332 53.050 -0.048 0.000 0.870 179 N CB -0.130 38.324 38.487 -0.054 0.000 0.979 179 N HN 0.274 nan 8.380 nan 0.000 0.431 180 I N 0.846 121.390 120.570 -0.044 0.000 2.163 180 I HA -0.255 3.899 4.170 -0.027 0.000 0.243 180 I C 2.248 178.350 176.117 -0.024 0.000 1.085 180 I CA 0.976 62.253 61.300 -0.037 0.000 1.347 180 I CB -0.155 37.832 38.000 -0.022 0.000 1.044 180 I HN 0.125 nan 8.210 nan 0.000 0.408 181 L N 0.245 121.457 121.223 -0.018 0.000 2.093 181 L HA -0.202 4.122 4.340 -0.027 0.000 0.208 181 L C 2.529 179.385 176.870 -0.024 0.000 1.085 181 L CA 1.583 56.413 54.840 -0.017 0.000 0.755 181 L CB -0.249 41.797 42.059 -0.022 0.000 0.904 181 L HN 0.261 nan 8.230 nan 0.000 0.435 182 I N -0.274 120.273 120.570 -0.038 0.000 2.179 182 I HA -0.302 3.852 4.170 -0.027 0.000 0.242 182 I C 2.755 178.854 176.117 -0.031 0.000 1.088 182 I CA 1.313 62.587 61.300 -0.043 0.000 1.357 182 I CB -0.408 37.559 38.000 -0.054 0.000 1.051 182 I HN 0.212 nan 8.210 nan 0.000 0.409 183 A N 0.805 123.604 122.820 -0.035 0.000 1.902 183 A HA -0.156 4.148 4.320 -0.027 0.000 0.217 183 A C 2.297 179.865 177.584 -0.027 0.000 1.181 183 A CA 1.468 53.484 52.037 -0.034 0.000 0.623 183 A CB -0.769 18.204 19.000 -0.046 0.000 0.818 183 A HN 0.375 nan 8.150 nan 0.000 0.443 184 I N -0.585 119.971 120.570 -0.023 0.000 2.202 184 I HA -0.183 3.970 4.170 -0.027 0.000 0.242 184 I C 2.251 178.362 176.117 -0.010 0.000 1.091 184 I CA 1.004 62.293 61.300 -0.019 0.000 1.368 184 I CB -0.178 37.813 38.000 -0.015 0.000 1.058 184 I HN 0.138 nan 8.210 nan 0.000 0.410 185 V N 0.333 120.250 119.914 0.007 0.000 2.626 185 V HA -0.250 3.854 4.120 -0.027 0.000 0.252 185 V C 2.332 178.447 176.094 0.036 0.000 1.067 185 V CA 1.532 63.856 62.300 0.039 0.000 1.081 185 V CB -0.641 31.246 31.823 0.107 0.000 0.686 185 V HN 0.475 nan 8.190 nan 0.000 0.468 186 Q N -0.024 119.784 119.800 0.013 0.000 2.119 186 Q HA -0.120 4.204 4.340 -0.027 0.000 0.201 186 Q C 2.320 178.318 176.000 -0.004 0.000 0.972 186 Q CA 1.625 57.431 55.803 0.005 0.000 0.847 186 Q CB -0.337 28.396 28.738 -0.008 0.000 0.903 186 Q HN 0.712 nan 8.270 nan 0.000 0.433 187 G N -0.026 108.766 108.800 -0.012 0.000 2.539 187 G HA2 0.027 3.971 3.960 -0.027 0.000 0.215 187 G HA3 0.027 3.971 3.960 -0.027 0.000 0.215 187 G C 1.301 176.187 174.900 -0.024 0.000 1.141 187 G CA 0.558 45.646 45.100 -0.019 0.000 0.806 187 G HN 0.355 nan 8.290 nan 0.000 0.533 188 A N 0.292 123.097 122.820 -0.025 0.000 2.178 188 A HA 0.233 4.537 4.320 -0.027 0.000 0.211 188 A C 1.541 179.096 177.584 -0.048 0.000 1.157 188 A CA 0.253 52.267 52.037 -0.039 0.000 0.780 188 A CB -0.280 18.693 19.000 -0.045 0.000 0.828 188 A HN 0.550 nan 8.150 nan 0.000 0.476 189 Q N 0.332 120.112 119.800 -0.033 0.000 2.421 189 Q HA 0.224 4.548 4.340 -0.027 0.000 0.255 189 Q C 0.819 176.793 176.000 -0.044 0.000 1.013 189 Q CA 0.432 56.210 55.803 -0.042 0.000 0.895 189 Q CB 0.414 29.147 28.738 -0.008 0.000 1.271 189 Q HN 0.314 nan 8.270 nan 0.000 0.460 190 S N 1.118 116.784 115.700 -0.056 0.000 2.474 190 S HA -0.146 4.308 4.470 -0.027 0.000 0.235 190 S C 1.610 176.190 174.600 -0.033 0.000 0.997 190 S CA 1.337 59.508 58.200 -0.049 0.000 0.949 190 S CB -0.366 62.800 63.200 -0.057 0.000 0.766 190 S HN 0.758 nan 8.310 nan 0.000 0.517 191 T N 1.275 115.814 114.554 -0.025 0.000 3.051 191 T HA 0.014 4.348 4.350 -0.027 0.000 0.269 191 T C 0.403 175.095 174.700 -0.014 0.000 1.127 191 T CA 0.747 62.837 62.100 -0.016 0.000 1.107 191 T CB -0.448 68.415 68.868 -0.008 0.000 0.898 191 T HN 0.611 nan 8.240 nan 0.000 0.517 192 E N 0.693 120.882 120.200 -0.018 0.000 2.152 192 E HA 0.204 4.538 4.350 -0.027 0.000 0.285 192 E C 1.089 177.679 176.600 -0.017 0.000 1.043 192 E CA 0.137 56.527 56.400 -0.017 0.000 0.839 192 E CB 0.718 30.407 29.700 -0.019 0.000 1.069 192 E HN -0.055 nan 8.360 nan 0.000 0.399 193 T N 2.165 116.711 114.554 -0.013 0.000 2.759 193 T HA -0.119 4.214 4.350 -0.027 0.000 0.269 193 T C 0.622 175.315 174.700 -0.012 0.000 1.042 193 T CA 1.406 63.499 62.100 -0.012 0.000 1.140 193 T CB -0.051 68.811 68.868 -0.009 0.000 0.864 193 T HN 0.349 nan 8.240 nan 0.000 0.455 194 S N 0.693 116.386 115.700 -0.012 0.000 2.475 194 S HA 0.233 4.687 4.470 -0.027 0.000 0.281 194 S C 1.282 175.874 174.600 -0.014 0.000 1.198 194 S CA -0.812 57.381 58.200 -0.012 0.000 1.063 194 S CB 1.008 64.201 63.200 -0.011 0.000 0.972 194 S HN 0.520 nan 8.310 nan 0.000 0.486 195 K N 4.424 124.817 120.400 -0.012 0.000 2.148 195 K HA 0.008 4.312 4.320 -0.027 0.000 0.204 195 K C 1.770 178.362 176.600 -0.013 0.000 1.050 195 K CA 1.411 57.691 56.287 -0.012 0.000 0.942 195 K CB -0.367 32.129 32.500 -0.008 0.000 0.724 195 K HN 0.526 nan 8.250 nan 0.000 0.446 196 A N 1.398 124.211 122.820 -0.012 0.000 1.930 196 A HA -0.031 4.273 4.320 -0.027 0.000 0.217 196 A C 2.301 179.874 177.584 -0.019 0.000 1.175 196 A CA 1.348 53.377 52.037 -0.013 0.000 0.627 196 A CB -0.530 18.465 19.000 -0.009 0.000 0.815 196 A HN 0.155 nan 8.150 nan 0.000 0.443 197 V N 0.008 119.911 119.914 -0.019 0.000 2.323 197 V HA -0.219 3.885 4.120 -0.027 0.000 0.244 197 V C 2.625 178.703 176.094 -0.028 0.000 1.041 197 V CA 2.013 64.299 62.300 -0.023 0.000 1.025 197 V CB -0.770 31.041 31.823 -0.020 0.000 0.656 197 V HN 0.511 nan 8.190 nan 0.000 0.451 198 R N -0.373 120.111 120.500 -0.027 0.000 2.083 198 R HA -0.141 4.183 4.340 -0.027 0.000 0.237 198 R C 2.354 178.634 176.300 -0.033 0.000 1.137 198 R CA 1.556 57.637 56.100 -0.032 0.000 0.951 198 R CB -0.574 29.706 30.300 -0.033 0.000 0.851 198 R HN 0.389 nan 8.270 nan 0.000 0.434 199 L N 0.302 121.508 121.223 -0.028 0.000 2.012 199 L HA -0.229 4.095 4.340 -0.027 0.000 0.210 199 L C 2.683 179.532 176.870 -0.035 0.000 1.073 199 L CA 1.457 56.281 54.840 -0.026 0.000 0.748 199 L CB -0.542 41.506 42.059 -0.019 0.000 0.891 199 L HN 0.282 nan 8.230 nan 0.000 0.431 200 A N -0.400 122.396 122.820 -0.041 0.000 1.908 200 A HA -0.232 4.072 4.320 -0.027 0.000 0.218 200 A C 2.444 179.993 177.584 -0.058 0.000 1.181 200 A CA 1.878 53.880 52.037 -0.059 0.000 0.627 200 A CB -0.779 18.186 19.000 -0.059 0.000 0.818 200 A HN 0.484 nan 8.150 nan 0.000 0.445 201 A N -0.585 122.208 122.820 -0.046 0.000 1.933 201 A HA 0.008 4.311 4.320 -0.027 0.000 0.218 201 A C 2.171 179.732 177.584 -0.038 0.000 1.175 201 A CA 1.494 53.506 52.037 -0.041 0.000 0.628 201 A CB -0.498 18.481 19.000 -0.035 0.000 0.814 201 A HN 0.472 nan 8.150 nan 0.000 0.444 202 L N -0.758 120.442 121.223 -0.038 0.000 2.131 202 L HA -0.120 4.203 4.340 -0.027 0.000 0.206 202 L C 2.234 179.089 176.870 -0.025 0.000 1.087 202 L CA 1.026 55.846 54.840 -0.034 0.000 0.767 202 L CB -0.533 41.503 42.059 -0.039 0.000 0.917 202 L HN 0.311 nan 8.230 nan 0.000 0.441 203 N N 0.557 119.238 118.700 -0.031 0.000 2.120 203 N HA -0.169 4.555 4.740 -0.027 0.000 0.188 203 N C 1.864 177.352 175.510 -0.036 0.000 1.024 203 N CA 1.541 54.572 53.050 -0.032 0.000 0.852 203 N CB -0.361 38.097 38.487 -0.047 0.000 1.003 203 N HN 0.294 nan 8.380 nan 0.000 0.424 204 A N 0.505 123.296 122.820 -0.049 0.000 1.933 204 A HA -0.072 4.232 4.320 -0.027 0.000 0.218 204 A C 2.136 179.718 177.584 -0.002 0.000 1.175 204 A CA 0.967 52.980 52.037 -0.040 0.000 0.628 204 A CB -0.750 18.217 19.000 -0.055 0.000 0.814 204 A HN 0.263 nan 8.150 nan 0.000 0.444 205 L N -0.027 121.194 121.223 -0.004 0.000 1.989 205 L HA -0.110 4.213 4.340 -0.027 0.000 0.211 205 L C 2.685 179.575 176.870 0.034 0.000 1.071 205 L CA 2.363 57.210 54.840 0.012 0.000 0.749 205 L CB -0.936 41.119 42.059 -0.007 0.000 0.890 205 L HN 0.348 nan 8.230 nan 0.000 0.431 206 A N -0.765 122.071 122.820 0.026 0.000 1.917 206 A HA -0.271 4.033 4.320 -0.027 0.000 0.219 206 A C 1.999 179.615 177.584 0.053 0.000 1.182 206 A CA 2.156 54.216 52.037 0.038 0.000 0.633 206 A CB -0.959 18.057 19.000 0.026 0.000 0.819 206 A HN 0.601 nan 8.150 nan 0.000 0.448 207 D N -0.456 119.979 120.400 0.057 0.000 2.269 207 D HA -0.076 4.548 4.640 -0.027 0.000 0.208 207 D C 2.259 178.667 176.300 0.180 0.000 0.963 207 D CA 1.507 55.565 54.000 0.097 0.000 0.864 207 D CB -0.156 40.689 40.800 0.076 0.000 0.936 207 D HN 0.624 nan 8.370 nan 0.000 0.505 208 S N -0.355 115.444 115.700 0.165 0.000 2.503 208 S HA 0.065 4.519 4.470 -0.027 0.000 0.217 208 S C 2.106 176.837 174.600 0.219 0.000 0.999 208 S CA -0.169 58.190 58.200 0.264 0.000 0.914 208 S CB -0.285 63.010 63.200 0.158 0.000 0.782 208 S HN 0.158 nan 8.310 nan 0.000 0.520 209 L N 0.721 122.017 121.223 0.122 0.000 2.081 209 L HA -0.095 4.229 4.340 -0.027 0.000 0.212 209 L C 2.388 179.339 176.870 0.135 0.000 1.080 209 L CA 1.456 56.384 54.840 0.147 0.000 0.754 209 L CB -0.602 41.559 42.059 0.169 0.000 0.893 209 L HN 0.339 nan 8.230 nan 0.000 0.433 210 I N -1.240 119.258 120.570 -0.120 0.000 2.493 210 I HA -0.275 3.879 4.170 -0.027 0.000 0.254 210 I C 1.715 177.629 176.117 -0.337 0.000 1.160 210 I CA 1.300 62.397 61.300 -0.338 0.000 1.445 210 I CB -0.036 37.567 38.000 -0.661 0.000 1.086 210 I HN 0.104 nan 8.210 nan 0.000 0.433 211 F N -0.065 119.937 119.950 0.087 0.000 2.754 211 F HA 0.148 4.659 4.527 -0.027 0.000 0.297 211 F C 1.681 177.518 175.800 0.063 0.000 1.122 211 F CA 0.238 58.275 58.000 0.062 0.000 1.400 211 F CB -0.366 38.655 39.000 0.035 0.000 1.117 211 F HN 0.017 nan 8.300 nan 0.000 0.587 212 I N -1.159 119.528 120.570 0.195 0.000 3.884 212 I HA 0.184 4.338 4.170 -0.027 0.000 0.330 212 I C 1.562 177.720 176.117 0.069 0.000 1.451 212 I CA -0.161 61.204 61.300 0.108 0.000 1.165 212 I CB -0.429 37.602 38.000 0.053 0.000 1.097 212 I HN 0.036 nan 8.210 nan 0.000 0.404 213 K N 0.134 120.633 120.400 0.165 0.000 2.209 213 K HA -0.090 4.214 4.320 -0.027 0.000 0.204 213 K C 1.152 177.817 176.600 0.108 0.000 1.048 213 K CA 1.271 57.692 56.287 0.225 0.000 0.940 213 K CB -0.503 32.170 32.500 0.288 0.000 0.729 213 K HN 0.334 nan 8.250 nan 0.000 0.451 214 N N 1.384 120.126 118.700 0.070 0.000 2.216 214 N HA -0.073 4.651 4.740 -0.027 0.000 0.183 214 N C 1.314 176.812 175.510 -0.020 0.000 1.017 214 N CA 1.033 54.104 53.050 0.035 0.000 0.861 214 N CB -0.298 38.211 38.487 0.038 0.000 0.986 214 N HN 0.404 nan 8.380 nan 0.000 0.428 215 N N 0.609 119.282 118.700 -0.044 0.000 2.216 215 N HA -0.028 4.696 4.740 -0.027 0.000 0.183 215 N C 1.494 176.904 175.510 -0.167 0.000 1.017 215 N CA 0.719 53.715 53.050 -0.089 0.000 0.861 215 N CB -0.041 38.400 38.487 -0.078 0.000 0.986 215 N HN 0.207 nan 8.380 nan 0.000 0.428 216 M N 1.210 120.671 119.600 -0.231 0.000 2.296 216 M HA -0.037 4.427 4.480 -0.027 0.000 0.265 216 M C 1.401 177.392 176.300 -0.514 0.000 1.064 216 M CA 1.045 56.096 55.300 -0.415 0.000 1.109 216 M CB -0.709 31.485 32.600 -0.677 0.000 1.396 216 M HN 0.125 nan 8.290 nan 0.000 0.430 217 E N 0.093 120.136 120.200 -0.262 0.000 2.418 217 E HA -0.041 4.292 4.350 -0.027 0.000 0.197 217 E C 0.070 176.547 176.600 -0.205 0.000 1.026 217 E CA 0.265 56.544 56.400 -0.202 0.000 0.862 217 E CB 0.246 29.971 29.700 0.040 0.000 0.799 217 E HN 0.412 nan 8.360 nan 0.000 0.518 218 R N 0.757 121.143 120.500 -0.191 0.000 2.207 218 R HA 0.105 4.429 4.340 -0.027 0.000 0.334 218 R C 0.714 176.925 176.300 -0.148 0.000 1.013 218 R CA -0.155 55.867 56.100 -0.129 0.000 0.858 218 R CB 1.047 31.294 30.300 -0.087 0.000 1.094 218 R HN 0.078 nan 8.270 nan 0.000 0.457 219 E N 3.044 123.176 120.200 -0.112 0.000 2.086 219 E HA -0.229 4.105 4.350 -0.027 0.000 0.200 219 E C 1.759 178.341 176.600 -0.029 0.000 1.012 219 E CA 2.093 58.448 56.400 -0.075 0.000 0.812 219 E CB -0.092 29.585 29.700 -0.038 0.000 0.743 219 E HN 0.841 nan 8.360 nan 0.000 0.453 220 G N 0.180 108.964 108.800 -0.026 0.000 2.418 220 G HA2 -0.277 3.667 3.960 -0.027 0.000 0.217 220 G HA3 -0.277 3.667 3.960 -0.027 0.000 0.217 220 G C 1.314 176.218 174.900 0.005 0.000 1.158 220 G CA 0.931 46.029 45.100 -0.002 0.000 0.771 220 G HN 0.360 nan 8.290 nan 0.000 0.545 221 E N -0.170 120.007 120.200 -0.040 0.000 2.107 221 E HA -0.043 4.291 4.350 -0.027 0.000 0.191 221 E C 2.494 179.070 176.600 -0.040 0.000 0.982 221 E CA 0.367 56.740 56.400 -0.045 0.000 0.809 221 E CB -0.067 29.583 29.700 -0.083 0.000 0.756 221 E HN 0.373 nan 8.360 nan 0.000 0.459 222 R N 1.085 121.529 120.500 -0.092 0.000 2.075 222 R HA -0.113 4.210 4.340 -0.027 0.000 0.232 222 R C 1.920 178.164 176.300 -0.093 0.000 1.126 222 R CA 1.313 57.330 56.100 -0.139 0.000 0.963 222 R CB 0.035 30.215 30.300 -0.200 0.000 0.858 222 R HN 0.053 nan 8.270 nan 0.000 0.435 223 N N 0.050 118.776 118.700 0.043 0.000 2.069 223 N HA -0.231 4.493 4.740 -0.027 0.000 0.191 223 N C 1.466 176.976 175.510 -0.001 0.000 1.031 223 N CA 1.440 54.547 53.050 0.095 0.000 0.852 223 N CB -0.632 37.938 38.487 0.138 0.000 1.018 223 N HN 0.310 nan 8.380 nan 0.000 0.423 224 Y N 1.009 121.262 120.300 -0.078 0.000 2.145 224 Y HA -0.143 4.390 4.550 -0.027 0.000 0.286 224 Y C 2.299 178.128 175.900 -0.119 0.000 1.145 224 Y CA 1.084 59.133 58.100 -0.085 0.000 1.148 224 Y CB -0.441 37.976 38.460 -0.071 0.000 0.981 224 Y HN 0.011 nan 8.280 nan 0.000 0.507 225 L N -0.277 120.963 121.223 0.029 0.000 2.012 225 L HA -0.266 4.058 4.340 -0.027 0.000 0.210 225 L C 2.103 178.845 176.870 -0.214 0.000 1.073 225 L CA 1.897 56.690 54.840 -0.078 0.000 0.748 225 L CB -0.715 41.293 42.059 -0.085 0.000 0.891 225 L HN 0.246 nan 8.230 nan 0.000 0.431 226 M N -0.845 118.571 119.600 -0.307 0.000 2.117 226 M HA -0.242 4.222 4.480 -0.027 0.000 0.262 226 M C 2.327 178.441 176.300 -0.310 0.000 1.065 226 M CA 1.863 56.919 55.300 -0.407 0.000 1.114 226 M CB -1.263 30.844 32.600 -0.822 0.000 1.361 226 M HN 0.540 nan 8.290 nan 0.000 0.408 227 Q N 0.137 119.768 119.800 -0.282 0.000 2.096 227 Q HA -0.146 4.177 4.340 -0.027 0.000 0.204 227 Q C 1.970 177.795 176.000 -0.293 0.000 0.982 227 Q CA 1.857 57.501 55.803 -0.265 0.000 0.850 227 Q CB 0.052 28.609 28.738 -0.301 0.000 0.901 227 Q HN 0.309 nan 8.270 nan 0.000 0.422 228 V N -0.147 119.561 119.914 -0.344 0.000 2.358 228 V HA -0.225 3.879 4.120 -0.027 0.000 0.246 228 V C 2.268 178.234 176.094 -0.213 0.000 1.047 228 V CA 1.508 63.639 62.300 -0.282 0.000 1.035 228 V CB -0.248 31.423 31.823 -0.253 0.000 0.658 228 V HN 0.294 nan 8.190 nan 0.000 0.452 229 V N -1.206 118.580 119.914 -0.213 0.000 2.358 229 V HA -0.255 3.849 4.120 -0.027 0.000 0.246 229 V C 2.508 178.446 176.094 -0.260 0.000 1.047 229 V CA 2.057 64.230 62.300 -0.210 0.000 1.035 229 V CB -0.727 30.981 31.823 -0.192 0.000 0.658 229 V HN 0.628 nan 8.190 nan 0.000 0.452 230 C N -0.116 119.030 119.300 -0.257 0.000 2.429 230 C HA -0.157 4.287 4.460 -0.027 0.000 0.277 230 C C 2.711 177.565 174.990 -0.226 0.000 1.262 230 C CA 1.017 59.880 59.018 -0.259 0.000 1.733 230 C CB -0.935 26.685 27.740 -0.199 0.000 2.010 230 C HN 0.612 nan 8.230 nan 0.000 0.483 231 E N 0.759 120.843 120.200 -0.193 0.000 2.110 231 E HA -0.155 4.179 4.350 -0.027 0.000 0.193 231 E C 2.300 178.808 176.600 -0.152 0.000 0.988 231 E CA 1.282 57.589 56.400 -0.156 0.000 0.804 231 E CB -0.209 29.401 29.700 -0.149 0.000 0.745 231 E HN 0.668 nan 8.360 nan 0.000 0.458 232 A N 0.817 123.533 122.820 -0.174 0.000 2.019 232 A HA -0.184 4.119 4.320 -0.027 0.000 0.219 232 A C 2.363 179.834 177.584 -0.187 0.000 1.164 232 A CA 1.884 53.826 52.037 -0.159 0.000 0.644 232 A CB -0.986 17.922 19.000 -0.152 0.000 0.805 232 A HN 0.421 nan 8.150 nan 0.000 0.449 233 T N -2.905 111.472 114.554 -0.295 0.000 2.962 233 T HA -0.118 4.215 4.350 -0.027 0.000 0.270 233 T C 1.322 175.943 174.700 -0.132 0.000 1.088 233 T CA 1.343 63.224 62.100 -0.366 0.000 1.127 233 T CB -0.258 68.140 68.868 -0.783 0.000 0.883 233 T HN 0.383 nan 8.240 nan 0.000 0.493 234 Q N 1.164 120.897 119.800 -0.112 0.000 2.282 234 Q HA 0.509 4.833 4.340 -0.027 0.000 0.205 234 Q C 0.674 176.650 176.000 -0.040 0.000 0.915 234 Q CA 0.017 55.787 55.803 -0.055 0.000 0.949 234 Q CB -0.288 28.414 28.738 -0.060 0.000 1.035 234 Q HN 0.772 nan 8.270 nan 0.000 0.484 235 A N 0.414 123.208 122.820 -0.044 0.000 2.322 235 A HA 0.150 4.454 4.320 -0.027 0.000 0.269 235 A C 1.036 178.614 177.584 -0.010 0.000 1.094 235 A CA -0.317 51.702 52.037 -0.030 0.000 0.807 235 A CB 0.658 19.636 19.000 -0.037 0.000 1.047 235 A HN 0.201 nan 8.150 nan 0.000 0.487 236 E N 0.182 120.377 120.200 -0.009 0.000 2.106 236 E HA -0.141 4.193 4.350 -0.027 0.000 0.192 236 E C -0.153 176.449 176.600 0.004 0.000 0.984 236 E CA 0.885 57.284 56.400 -0.001 0.000 0.806 236 E CB 0.061 29.759 29.700 -0.004 0.000 0.750 236 E HN 0.827 nan 8.360 nan 0.000 0.458 237 D N -0.014 120.387 120.400 0.001 0.000 2.417 237 D HA -0.022 4.602 4.640 -0.027 0.000 0.250 237 D C 0.562 176.872 176.300 0.015 0.000 1.166 237 D CA 0.146 54.150 54.000 0.006 0.000 0.881 237 D CB 0.795 41.596 40.800 0.001 0.000 1.164 237 D HN -0.039 nan 8.370 nan 0.000 0.467 238 I N 2.970 123.554 120.570 0.022 0.000 2.761 238 I HA -0.096 4.057 4.170 -0.027 0.000 0.261 238 I C 1.790 177.934 176.117 0.043 0.000 1.198 238 I CA 0.698 62.020 61.300 0.036 0.000 1.482 238 I CB 0.147 38.167 38.000 0.032 0.000 1.100 238 I HN 0.517 nan 8.210 nan 0.000 0.445 239 E N -0.492 119.726 120.200 0.031 0.000 2.150 239 E HA -0.160 4.174 4.350 -0.027 0.000 0.193 239 E C 2.206 178.822 176.600 0.027 0.000 0.985 239 E CA 1.041 57.459 56.400 0.030 0.000 0.814 239 E CB 0.109 29.820 29.700 0.019 0.000 0.752 239 E HN 0.279 nan 8.360 nan 0.000 0.466 240 V N 0.771 120.694 119.914 0.015 0.000 2.379 240 V HA -0.252 3.851 4.120 -0.027 0.000 0.245 240 V C 2.139 178.232 176.094 -0.001 0.000 1.044 240 V CA 1.605 63.903 62.300 -0.003 0.000 1.036 240 V CB -0.433 31.379 31.823 -0.018 0.000 0.664 240 V HN 0.286 nan 8.190 nan 0.000 0.453 241 Q N 0.078 119.896 119.800 0.031 0.000 2.045 241 Q HA -0.251 4.073 4.340 -0.027 0.000 0.206 241 Q C 2.452 178.570 176.000 0.198 0.000 0.991 241 Q CA 2.072 57.925 55.803 0.085 0.000 0.851 241 Q CB -0.460 28.369 28.738 0.150 0.000 0.911 241 Q HN 0.665 nan 8.270 nan 0.000 0.418 242 A N 1.021 123.948 122.820 0.179 0.000 1.902 242 A HA -0.121 4.182 4.320 -0.027 0.000 0.217 242 A C 2.309 179.984 177.584 0.151 0.000 1.181 242 A CA 1.641 53.797 52.037 0.198 0.000 0.623 242 A CB -0.792 18.278 19.000 0.116 0.000 0.818 242 A HN 0.418 nan 8.150 nan 0.000 0.443 243 A N -0.174 122.690 122.820 0.074 0.000 1.933 243 A HA 0.164 4.468 4.320 -0.027 0.000 0.218 243 A C 2.487 180.074 177.584 0.005 0.000 1.175 243 A CA 2.057 54.115 52.037 0.035 0.000 0.628 243 A CB -0.952 18.052 19.000 0.008 0.000 0.814 243 A HN 1.036 nan 8.150 nan 0.000 0.444 244 A N -1.141 121.648 122.820 -0.052 0.000 1.898 244 A HA 0.025 4.329 4.320 -0.027 0.000 0.216 244 A C 1.922 179.388 177.584 -0.196 0.000 1.181 244 A CA 1.479 53.415 52.037 -0.167 0.000 0.620 244 A CB -0.723 18.104 19.000 -0.287 0.000 0.819 244 A HN 0.446 nan 8.150 nan 0.000 0.442 245 F N 0.471 120.401 119.950 -0.033 0.000 2.186 245 F HA -0.003 4.508 4.527 -0.027 0.000 0.299 245 F C 2.637 178.457 175.800 0.034 0.000 1.090 245 F CA 0.940 58.923 58.000 -0.029 0.000 1.307 245 F CB -0.922 38.060 39.000 -0.030 0.000 1.019 245 F HN 0.276 nan 8.300 nan 0.000 0.489 246 G N -0.898 108.019 108.800 0.194 0.000 2.469 246 G HA2 -0.283 3.660 3.960 -0.027 0.000 0.219 246 G HA3 -0.283 3.660 3.960 -0.027 0.000 0.219 246 G C 1.741 176.700 174.900 0.098 0.000 1.150 246 G CA 1.323 46.502 45.100 0.131 0.000 0.763 246 G HN 0.438 nan 8.290 nan 0.000 0.561 247 C N 0.115 119.448 119.300 0.055 0.000 2.440 247 C HA 0.127 4.571 4.460 -0.027 0.000 0.278 247 C C 2.910 177.942 174.990 0.070 0.000 1.295 247 C CA 0.391 59.432 59.018 0.037 0.000 1.738 247 C CB -1.038 26.693 27.740 -0.014 0.000 1.987 247 C HN 0.436 nan 8.230 nan 0.000 0.492 248 L N -0.146 121.126 121.223 0.083 0.000 2.046 248 L HA -0.198 4.126 4.340 -0.027 0.000 0.208 248 L C 2.721 179.799 176.870 0.347 0.000 1.077 248 L CA 1.330 56.280 54.840 0.183 0.000 0.747 248 L CB -0.766 41.347 42.059 0.091 0.000 0.896 248 L HN 0.448 nan 8.230 nan 0.000 0.432 249 C N -0.291 119.210 119.300 0.335 0.000 2.413 249 C HA -0.178 4.266 4.460 -0.027 0.000 0.278 249 C C 2.890 177.935 174.990 0.092 0.000 1.224 249 C CA 0.663 59.810 59.018 0.214 0.000 1.732 249 C CB -0.674 27.175 27.740 0.182 0.000 2.050 249 C HN 0.401 nan 8.230 nan 0.000 0.463 250 K N 0.354 120.810 120.400 0.092 0.000 2.063 250 K HA -0.118 4.186 4.320 -0.027 0.000 0.208 250 K C 1.779 178.438 176.600 0.097 0.000 1.048 250 K CA 1.488 57.814 56.287 0.065 0.000 0.928 250 K CB -0.455 32.081 32.500 0.060 0.000 0.713 250 K HN 0.547 nan 8.250 nan 0.000 0.442 251 I N 0.599 121.256 120.570 0.146 0.000 2.179 251 I HA -0.322 3.831 4.170 -0.027 0.000 0.242 251 I C 2.588 178.841 176.117 0.227 0.000 1.088 251 I CA 1.017 62.460 61.300 0.240 0.000 1.357 251 I CB -0.182 37.915 38.000 0.161 0.000 1.051 251 I HN 0.168 nan 8.210 nan 0.000 0.409 252 M N 0.344 120.020 119.600 0.127 0.000 2.108 252 M HA -0.236 4.228 4.480 -0.027 0.000 0.261 252 M C 2.453 178.795 176.300 0.071 0.000 1.066 252 M CA 2.012 57.343 55.300 0.051 0.000 1.107 252 M CB -0.532 31.924 32.600 -0.239 0.000 1.356 252 M HN 0.162 nan 8.290 nan 0.000 0.406 253 S N -0.693 115.015 115.700 0.014 0.000 2.382 253 S HA -0.072 4.382 4.470 -0.027 0.000 0.228 253 S C 1.727 176.286 174.600 -0.068 0.000 1.027 253 S CA 1.515 59.698 58.200 -0.029 0.000 0.991 253 S CB -0.281 62.894 63.200 -0.041 0.000 0.823 253 S HN 0.615 nan 8.310 nan 0.000 0.469 254 L N -1.347 119.809 121.223 -0.111 0.000 2.515 254 L HA 0.285 4.609 4.340 -0.027 0.000 0.223 254 L C 0.245 176.751 176.870 -0.607 0.000 1.079 254 L CA 0.312 54.916 54.840 -0.393 0.000 0.857 254 L CB 0.176 41.906 42.059 -0.548 0.000 1.050 254 L HN 0.295 nan 8.230 nan 0.000 0.476 255 Y N -2.492 117.885 120.300 0.128 0.000 2.672 255 Y HA 0.128 4.663 4.550 -0.026 0.000 0.272 255 Y C 1.197 177.223 175.900 0.211 0.000 1.055 255 Y CA -1.066 57.154 58.100 0.200 0.000 1.151 255 Y CB -0.433 38.203 38.460 0.292 0.000 1.190 255 Y HN -0.021 nan 8.280 nan 0.000 0.574 256 Y N 0.628 121.004 120.300 0.127 0.000 2.181 256 Y HA -0.373 4.161 4.550 -0.026 0.000 0.284 256 Y C 2.523 178.571 175.900 0.246 0.000 1.179 256 Y CA 2.423 60.619 58.100 0.161 0.000 1.179 256 Y CB -0.033 38.464 38.460 0.063 0.000 0.973 256 Y HN 0.294 nan 8.280 nan 0.000 0.519 257 T N -0.979 113.672 114.554 0.161 0.000 3.007 257 T HA -0.127 4.207 4.350 -0.027 0.000 0.270 257 T C 0.794 175.448 174.700 -0.077 0.000 1.107 257 T CA 1.249 63.348 62.100 -0.002 0.000 1.118 257 T CB -0.501 68.196 68.868 -0.284 0.000 0.889 257 T HN 0.299 nan 8.240 nan 0.000 0.506 258 F N -0.082 120.007 119.950 0.232 0.000 2.653 258 F HA 0.480 4.991 4.527 -0.027 0.000 0.304 258 F C 1.493 177.373 175.800 0.134 0.000 1.092 258 F CA -0.354 57.750 58.000 0.173 0.000 1.279 258 F CB 0.185 39.321 39.000 0.226 0.000 1.044 258 F HN 0.138 nan 8.300 nan 0.000 0.564 259 M N -0.546 119.180 119.600 0.210 0.000 2.509 259 M HA 0.050 4.514 4.480 -0.027 0.000 0.250 259 M C 2.125 178.398 176.300 -0.046 0.000 1.132 259 M CA 0.546 55.939 55.300 0.155 0.000 1.080 259 M CB -0.592 32.040 32.600 0.052 0.000 1.408 259 M HN 0.107 nan 8.290 nan 0.000 0.484 260 K N 1.093 121.374 120.400 -0.197 0.000 2.009 260 K HA -0.155 4.149 4.320 -0.027 0.000 0.210 260 K C -0.853 175.619 176.600 -0.214 0.000 1.049 260 K CA 1.569 57.711 56.287 -0.241 0.000 0.929 260 K CB -0.855 31.221 32.500 -0.706 0.000 0.714 260 K HN 0.095 nan 8.250 nan 0.000 0.440 261 P HA -0.160 nan 4.420 nan 0.000 0.216 261 P C 0.732 177.837 177.300 -0.326 0.000 1.150 261 P CA 1.409 64.287 63.100 -0.369 0.000 0.843 261 P CB -0.085 31.278 31.700 -0.563 0.000 0.787 262 Y N -1.983 118.286 120.300 -0.051 0.000 2.314 262 Y HA -0.022 4.512 4.550 -0.027 0.000 0.293 262 Y C 2.507 178.370 175.900 -0.062 0.000 1.129 262 Y CA 0.662 58.732 58.100 -0.051 0.000 1.201 262 Y CB -1.187 37.249 38.460 -0.041 0.000 0.999 262 Y HN -0.107 nan 8.280 nan 0.000 0.541 263 M N -0.123 119.474 119.600 -0.005 0.000 2.132 263 M HA -0.181 4.283 4.480 -0.027 0.000 0.263 263 M C 1.859 178.173 176.300 0.023 0.000 1.065 263 M CA 1.628 56.891 55.300 -0.061 0.000 1.122 263 M CB -0.763 31.601 32.600 -0.392 0.000 1.365 263 M HN 0.362 nan 8.290 nan 0.000 0.411 264 E N 0.369 120.555 120.200 -0.022 0.000 2.072 264 E HA -0.218 4.116 4.350 -0.027 0.000 0.191 264 E C 2.081 178.684 176.600 0.005 0.000 0.985 264 E CA 1.348 57.736 56.400 -0.021 0.000 0.801 264 E CB -0.116 29.554 29.700 -0.051 0.000 0.750 264 E HN 0.647 nan 8.360 nan 0.000 0.452 265 Q N -0.351 119.452 119.800 0.005 0.000 2.137 265 Q HA 0.033 4.357 4.340 -0.027 0.000 0.198 265 Q C 1.556 177.583 176.000 0.046 0.000 0.960 265 Q CA 1.422 57.238 55.803 0.021 0.000 0.847 265 Q CB 0.286 29.033 28.738 0.015 0.000 0.915 265 Q HN 0.156 nan 8.270 nan 0.000 0.448 266 A N -0.116 122.742 122.820 0.065 0.000 1.827 266 A HA 0.275 4.579 4.320 -0.027 0.000 0.196 266 A C 1.756 179.378 177.584 0.062 0.000 1.833 266 A CA -0.262 51.808 52.037 0.055 0.000 1.363 266 A CB -0.117 18.899 19.000 0.027 0.000 1.439 266 A HN 0.180 nan 8.150 nan 0.000 0.391 267 L N -1.116 120.146 121.223 0.065 0.000 2.131 267 L HA -0.050 4.274 4.340 -0.027 0.000 0.206 267 L C 2.441 179.361 176.870 0.084 0.000 1.087 267 L CA 1.677 56.522 54.840 0.009 0.000 0.767 267 L CB -0.543 41.509 42.059 -0.012 0.000 0.917 267 L HN 0.628 nan 8.230 nan 0.000 0.441 268 Y N 1.124 121.465 120.300 0.069 0.000 2.097 268 Y HA -0.331 4.203 4.550 -0.027 0.000 0.282 268 Y C 2.540 178.567 175.900 0.211 0.000 1.152 268 Y CA 1.846 60.079 58.100 0.221 0.000 1.136 268 Y CB -0.168 38.409 38.460 0.195 0.000 0.975 268 Y HN 0.095 nan 8.280 nan 0.000 0.498 269 A N 0.476 123.460 122.820 0.273 0.000 1.898 269 A HA -0.121 4.182 4.320 -0.027 0.000 0.216 269 A C 2.357 179.977 177.584 0.060 0.000 1.181 269 A CA 1.437 53.563 52.037 0.148 0.000 0.620 269 A CB -1.103 17.999 19.000 0.169 0.000 0.819 269 A HN 0.621 nan 8.150 nan 0.000 0.442 270 L N 0.330 121.592 121.223 0.065 0.000 1.976 270 L HA -0.185 4.139 4.340 -0.027 0.000 0.209 270 L C 2.950 179.865 176.870 0.074 0.000 1.071 270 L CA 2.659 57.537 54.840 0.063 0.000 0.746 270 L CB -0.889 41.195 42.059 0.041 0.000 0.890 270 L HN 0.646 nan 8.230 nan 0.000 0.432 271 T N -2.422 112.160 114.554 0.048 0.000 2.833 271 T HA -0.165 4.168 4.350 -0.027 0.000 0.269 271 T C 1.816 176.549 174.700 0.054 0.000 1.054 271 T CA 1.353 63.470 62.100 0.028 0.000 1.135 271 T CB -0.585 68.225 68.868 -0.096 0.000 0.869 271 T HN 0.378 nan 8.240 nan 0.000 0.466 272 I N 1.331 121.914 120.570 0.022 0.000 2.500 272 I HA 0.076 4.229 4.170 -0.027 0.000 0.252 272 I C 3.096 179.150 176.117 -0.105 0.000 1.142 272 I CA 0.793 62.024 61.300 -0.116 0.000 1.451 272 I CB -0.434 37.390 38.000 -0.294 0.000 1.093 272 I HN 0.331 nan 8.210 nan 0.000 0.430 273 A N 0.288 123.073 122.820 -0.059 0.000 1.897 273 A HA -0.199 4.105 4.320 -0.027 0.000 0.215 273 A C 2.391 179.941 177.584 -0.056 0.000 1.181 273 A CA 2.135 54.145 52.037 -0.045 0.000 0.620 273 A CB -0.931 18.063 19.000 -0.010 0.000 0.821 273 A HN 0.402 nan 8.150 nan 0.000 0.443 274 T N -2.206 112.308 114.554 -0.066 0.000 3.148 274 T HA 0.040 4.374 4.350 -0.027 0.000 0.253 274 T C 1.620 176.216 174.700 -0.173 0.000 1.134 274 T CA 1.094 63.128 62.100 -0.111 0.000 1.051 274 T CB -0.564 68.242 68.868 -0.103 0.000 0.959 274 T HN 0.335 nan 8.240 nan 0.000 0.525 275 M N 0.539 120.049 119.600 -0.150 0.000 2.267 275 M HA 0.017 4.480 4.480 -0.027 0.000 0.263 275 M C 1.780 178.012 176.300 -0.114 0.000 1.063 275 M CA 1.547 56.767 55.300 -0.134 0.000 1.090 275 M CB -0.051 32.470 32.600 -0.132 0.000 1.392 275 M HN 0.159 nan 8.290 nan 0.000 0.422 276 K N -0.529 119.812 120.400 -0.098 0.000 2.458 276 K HA 0.081 4.385 4.320 -0.027 0.000 0.194 276 K C 0.562 177.122 176.600 -0.066 0.000 1.024 276 K CA -0.094 56.146 56.287 -0.079 0.000 1.108 276 K CB -0.106 32.354 32.500 -0.066 0.000 0.846 276 K HN 0.198 nan 8.250 nan 0.000 0.518 277 S N 2.148 117.803 115.700 -0.076 0.000 2.549 277 S HA 0.052 4.506 4.470 -0.027 0.000 0.286 277 S C -1.676 172.895 174.600 -0.047 0.000 1.314 277 S CA -1.244 56.922 58.200 -0.058 0.000 1.062 277 S CB 0.733 63.890 63.200 -0.071 0.000 0.865 277 S HN -0.011 nan 8.310 nan 0.000 0.498 278 P HA 0.040 nan 4.420 nan 0.000 0.226 278 P C -0.213 177.074 177.300 -0.021 0.000 1.153 278 P CA 0.483 63.568 63.100 -0.027 0.000 0.777 278 P CB -0.084 31.605 31.700 -0.019 0.000 0.794 279 N N 0.687 119.376 118.700 -0.018 0.000 2.415 279 N HA -0.019 4.705 4.740 -0.027 0.000 0.246 279 N C 0.951 176.454 175.510 -0.013 0.000 1.078 279 N CA 0.029 53.074 53.050 -0.008 0.000 0.942 279 N CB -0.237 38.253 38.487 0.005 0.000 1.140 279 N HN -0.099 nan 8.380 nan 0.000 0.501 280 D N 2.585 122.982 120.400 -0.006 0.000 2.154 280 D HA -0.267 4.357 4.640 -0.027 0.000 0.190 280 D C 1.011 177.320 176.300 0.014 0.000 1.003 280 D CA 1.469 55.468 54.000 -0.002 0.000 0.849 280 D CB 0.429 41.235 40.800 0.009 0.000 0.942 280 D HN 0.364 nan 8.370 nan 0.000 0.446 281 K N 0.148 120.567 120.400 0.031 0.000 2.148 281 K HA -0.059 4.245 4.320 -0.027 0.000 0.204 281 K C 2.066 178.683 176.600 0.028 0.000 1.050 281 K CA 0.429 56.745 56.287 0.048 0.000 0.942 281 K CB -0.358 32.176 32.500 0.057 0.000 0.724 281 K HN 0.064 nan 8.250 nan 0.000 0.446 282 V N 0.350 120.265 119.914 0.002 0.000 2.323 282 V HA -0.175 3.928 4.120 -0.027 0.000 0.244 282 V C 2.199 178.188 176.094 -0.175 0.000 1.041 282 V CA 1.826 64.095 62.300 -0.050 0.000 1.025 282 V CB -0.721 31.095 31.823 -0.013 0.000 0.656 282 V HN 0.384 nan 8.190 nan 0.000 0.451 283 A N -0.499 122.249 122.820 -0.121 0.000 1.940 283 A HA -0.226 4.078 4.320 -0.027 0.000 0.219 283 A C 2.484 180.022 177.584 -0.076 0.000 1.176 283 A CA 2.300 54.261 52.037 -0.126 0.000 0.631 283 A CB -0.665 18.285 19.000 -0.085 0.000 0.814 283 A HN 0.494 nan 8.150 nan 0.000 0.446 284 S N -0.789 114.902 115.700 -0.015 0.000 2.368 284 S HA -0.115 4.339 4.470 -0.027 0.000 0.224 284 S C 2.020 176.664 174.600 0.074 0.000 1.029 284 S CA 1.537 59.775 58.200 0.064 0.000 0.988 284 S CB -0.275 63.002 63.200 0.128 0.000 0.838 284 S HN 0.473 nan 8.310 nan 0.000 0.462 285 M N 1.497 121.111 119.600 0.023 0.000 2.175 285 M HA -0.064 4.400 4.480 -0.027 0.000 0.264 285 M C 2.559 178.886 176.300 0.045 0.000 1.063 285 M CA 1.680 57.015 55.300 0.058 0.000 1.119 285 M CB -2.124 30.534 32.600 0.096 0.000 1.377 285 M HN 0.548 nan 8.290 nan 0.000 0.415 286 T N -2.130 112.326 114.554 -0.163 0.000 2.821 286 T HA -0.038 4.295 4.350 -0.027 0.000 0.267 286 T C 1.905 176.752 174.700 0.245 0.000 1.046 286 T CA 1.255 63.298 62.100 -0.095 0.000 1.139 286 T CB -0.894 67.770 68.868 -0.340 0.000 0.871 286 T HN 0.141 nan 8.240 nan 0.000 0.454 287 V N 1.606 121.622 119.914 0.170 0.000 2.427 287 V HA -0.078 4.025 4.120 -0.027 0.000 0.248 287 V C 2.847 179.120 176.094 0.299 0.000 1.051 287 V CA 2.043 64.488 62.300 0.241 0.000 1.048 287 V CB -0.793 31.110 31.823 0.133 0.000 0.666 287 V HN 0.443 nan 8.190 nan 0.000 0.456 288 E N -0.132 120.211 120.200 0.238 0.000 2.150 288 E HA -0.201 4.132 4.350 -0.027 0.000 0.193 288 E C 1.833 178.561 176.600 0.214 0.000 0.985 288 E CA 1.080 57.604 56.400 0.207 0.000 0.814 288 E CB -0.409 29.386 29.700 0.158 0.000 0.752 288 E HN 0.548 nan 8.360 nan 0.000 0.466 289 F N -1.047 118.958 119.950 0.092 0.000 2.091 289 F HA -0.205 4.306 4.527 -0.026 0.000 0.299 289 F C 1.495 177.245 175.800 -0.083 0.000 1.103 289 F CA 1.827 59.820 58.000 -0.012 0.000 1.228 289 F CB -0.303 38.671 39.000 -0.044 0.000 0.984 289 F HN 0.108 nan 8.300 nan 0.000 0.477 290 W N -0.114 121.321 121.300 0.225 0.000 2.453 290 W HA -0.036 4.607 4.660 -0.027 0.000 0.289 290 W C 2.768 179.334 176.519 0.079 0.000 1.215 290 W CA 1.205 58.649 57.345 0.165 0.000 1.297 290 W CB -0.817 28.846 29.460 0.338 0.000 1.113 290 W HN -0.177 nan 8.180 nan 0.000 0.551 291 S N -0.102 115.781 115.700 0.305 0.000 2.365 291 S HA -0.227 4.227 4.470 -0.027 0.000 0.225 291 S C 1.713 176.339 174.600 0.044 0.000 1.039 291 S CA 2.107 60.409 58.200 0.169 0.000 1.033 291 S CB -0.882 62.418 63.200 0.165 0.000 0.887 291 S HN 0.250 nan 8.310 nan 0.000 0.447 292 T N 2.473 117.017 114.554 -0.017 0.000 2.708 292 T HA 0.001 4.335 4.350 -0.027 0.000 0.266 292 T C 1.738 176.364 174.700 -0.124 0.000 1.037 292 T CA 1.135 63.179 62.100 -0.092 0.000 1.146 292 T CB -0.430 68.353 68.868 -0.142 0.000 0.865 292 T HN 0.302 nan 8.240 nan 0.000 0.435 293 I N 0.723 121.182 120.570 -0.185 0.000 2.151 293 I HA -0.256 3.898 4.170 -0.027 0.000 0.243 293 I C 2.716 178.810 176.117 -0.039 0.000 1.080 293 I CA 1.048 62.300 61.300 -0.080 0.000 1.339 293 I CB -0.468 37.443 38.000 -0.150 0.000 1.039 293 I HN 0.356 nan 8.210 nan 0.000 0.409 294 C N 0.578 119.838 119.300 -0.067 0.000 2.436 294 C HA -0.156 4.288 4.460 -0.027 0.000 0.277 294 C C 2.657 177.585 174.990 -0.104 0.000 1.241 294 C CA 0.839 59.785 59.018 -0.119 0.000 1.721 294 C CB -1.073 26.577 27.740 -0.150 0.000 2.043 294 C HN 0.494 nan 8.230 nan 0.000 0.472 295 E N 0.491 120.640 120.200 -0.085 0.000 2.049 295 E HA -0.238 4.096 4.350 -0.027 0.000 0.198 295 E C 2.174 178.687 176.600 -0.146 0.000 1.007 295 E CA 1.311 57.654 56.400 -0.096 0.000 0.809 295 E CB -0.211 29.444 29.700 -0.076 0.000 0.749 295 E HN 0.563 nan 8.360 nan 0.000 0.450 296 E N 0.793 120.880 120.200 -0.188 0.000 2.058 296 E HA -0.207 4.127 4.350 -0.027 0.000 0.194 296 E C 1.970 178.328 176.600 -0.404 0.000 0.997 296 E CA 1.188 57.393 56.400 -0.326 0.000 0.801 296 E CB -0.218 29.214 29.700 -0.446 0.000 0.746 296 E HN 0.378 nan 8.360 nan 0.000 0.450 297 E N 0.154 120.147 120.200 -0.346 0.000 2.106 297 E HA -0.112 4.222 4.350 -0.027 0.000 0.192 297 E C 2.277 178.778 176.600 -0.165 0.000 0.984 297 E CA 0.561 56.798 56.400 -0.271 0.000 0.806 297 E CB -0.140 29.471 29.700 -0.150 0.000 0.750 297 E HN 0.227 nan 8.360 nan 0.000 0.458 298 I N 1.533 122.027 120.570 -0.127 0.000 2.226 298 I HA -0.267 3.887 4.170 -0.027 0.000 0.245 298 I C 1.784 177.869 176.117 -0.052 0.000 1.100 298 I CA 1.050 62.306 61.300 -0.074 0.000 1.374 298 I CB -0.127 37.831 38.000 -0.069 0.000 1.057 298 I HN 0.018 nan 8.210 nan 0.000 0.413 299 D N 0.807 121.149 120.400 -0.096 0.000 2.117 299 D HA -0.124 4.500 4.640 -0.027 0.000 0.198 299 D C 2.265 178.544 176.300 -0.034 0.000 0.982 299 D CA 1.325 55.286 54.000 -0.064 0.000 0.828 299 D CB -0.195 40.537 40.800 -0.113 0.000 0.967 299 D HN 0.315 nan 8.370 nan 0.000 0.464 300 I N 1.238 121.734 120.570 -0.123 0.000 2.163 300 I HA -0.272 3.882 4.170 -0.027 0.000 0.243 300 I C 2.453 178.535 176.117 -0.059 0.000 1.085 300 I CA 1.151 62.375 61.300 -0.126 0.000 1.347 300 I CB -0.241 37.621 38.000 -0.231 0.000 1.044 300 I HN -0.075 nan 8.210 nan 0.000 0.408 301 A N -0.316 122.478 122.820 -0.043 0.000 1.978 301 A HA -0.279 4.024 4.320 -0.027 0.000 0.220 301 A C 2.244 179.851 177.584 0.038 0.000 1.170 301 A CA 1.553 53.584 52.037 -0.009 0.000 0.636 301 A CB -0.926 18.073 19.000 -0.002 0.000 0.810 301 A HN 0.533 nan 8.150 nan 0.000 0.448 302 Y N -0.322 119.947 120.300 -0.051 0.000 2.395 302 Y HA 0.014 4.547 4.550 -0.028 0.000 0.293 302 Y C 2.243 178.144 175.900 0.001 0.000 1.123 302 Y CA 1.619 59.702 58.100 -0.028 0.000 1.227 302 Y CB 0.067 38.508 38.460 -0.033 0.000 1.012 302 Y HN 0.412 nan 8.280 nan 0.000 0.552 303 E N 0.005 120.253 120.200 0.081 0.000 2.158 303 E HA -0.044 4.290 4.350 -0.027 0.000 0.191 303 E C 1.553 178.173 176.600 0.034 0.000 0.982 303 E CA 0.871 57.312 56.400 0.067 0.000 0.823 303 E CB -0.246 29.471 29.700 0.029 0.000 0.766 303 E HN 0.507 nan 8.360 nan 0.000 0.468 304 L N -0.614 120.599 121.223 -0.017 0.000 2.599 304 L HA 0.193 4.517 4.340 -0.027 0.000 0.230 304 L C 1.661 178.494 176.870 -0.061 0.000 1.141 304 L CA 0.541 55.365 54.840 -0.027 0.000 0.877 304 L CB -0.020 42.015 42.059 -0.039 0.000 1.009 304 L HN 0.145 nan 8.230 nan 0.000 0.447 305 A N -1.392 121.355 122.820 -0.122 0.000 2.127 305 A HA 0.063 4.367 4.320 -0.027 0.000 0.204 305 A C 2.083 179.519 177.584 -0.248 0.000 1.243 305 A CA 0.027 51.946 52.037 -0.196 0.000 0.887 305 A CB 0.215 19.051 19.000 -0.274 0.000 0.933 305 A HN 0.180 nan 8.150 nan 0.000 0.479 306 Q N -0.714 118.938 119.800 -0.245 0.000 2.089 306 Q HA 0.242 4.566 4.340 -0.027 0.000 0.195 306 Q C -0.532 175.274 176.000 -0.324 0.000 0.963 306 Q CA 1.197 56.854 55.803 -0.243 0.000 0.834 306 Q CB -0.074 28.631 28.738 -0.054 0.000 0.906 306 Q HN 0.580 nan 8.270 nan 0.000 0.452 307 F N 0.003 119.910 119.950 -0.073 0.000 2.449 307 F HA 0.320 4.830 4.527 -0.028 0.000 0.344 307 F C -1.741 174.029 175.800 -0.050 0.000 1.180 307 F CA -2.061 55.915 58.000 -0.041 0.000 1.209 307 F CB 1.647 40.635 39.000 -0.021 0.000 1.440 307 F HN 0.040 nan 8.300 nan 0.000 0.526 308 P HA -0.230 nan 4.420 nan 0.000 0.222 308 P C 1.040 178.354 177.300 0.023 0.000 1.142 308 P CA 1.304 64.407 63.100 0.005 0.000 0.788 308 P CB 0.104 31.788 31.700 -0.028 0.000 0.767 309 Q N -0.719 119.113 119.800 0.054 0.000 2.432 309 Q HA 0.041 4.365 4.340 -0.027 0.000 0.205 309 Q C 0.768 176.786 176.000 0.031 0.000 0.945 309 Q CA 0.156 55.983 55.803 0.040 0.000 0.924 309 Q CB -1.284 27.483 28.738 0.049 0.000 1.016 309 Q HN 0.161 nan 8.270 nan 0.000 0.503 310 S N 0.893 116.620 115.700 0.045 0.000 2.554 310 S HA 0.020 4.474 4.470 -0.027 0.000 0.290 310 S C -1.368 173.216 174.600 -0.026 0.000 1.309 310 S CA -0.700 57.505 58.200 0.009 0.000 1.047 310 S CB 0.399 63.605 63.200 0.009 0.000 0.828 310 S HN 0.064 nan 8.310 nan 0.000 0.509 311 P HA -0.004 nan 4.420 nan 0.000 0.214 311 P C 0.545 177.803 177.300 -0.070 0.000 1.163 311 P CA 0.797 63.866 63.100 -0.051 0.000 0.883 311 P CB -0.414 31.252 31.700 -0.056 0.000 0.788 312 L N -1.643 119.529 121.223 -0.086 0.000 2.461 312 L HA 0.315 4.638 4.340 -0.027 0.000 0.259 312 L C 0.198 176.989 176.870 -0.132 0.000 1.248 312 L CA 0.225 54.998 54.840 -0.112 0.000 0.823 312 L CB -0.989 40.998 42.059 -0.120 0.000 1.111 312 L HN 0.013 nan 8.230 nan 0.000 0.516 313 Q N -0.133 119.556 119.800 -0.185 0.000 2.430 313 Q HA 0.337 4.661 4.340 -0.027 0.000 0.253 313 Q C -1.436 174.363 176.000 -0.335 0.000 0.945 313 Q CA -0.208 55.454 55.803 -0.236 0.000 0.964 313 Q CB 1.672 30.262 28.738 -0.247 0.000 1.460 313 Q HN 0.984 nan 8.270 nan 0.000 0.428 314 S N 2.164 117.704 115.700 -0.268 0.000 2.592 314 S HA 0.310 4.764 4.470 -0.027 0.000 0.271 314 S C -0.214 174.188 174.600 -0.329 0.000 1.326 314 S CA -0.005 58.057 58.200 -0.231 0.000 1.024 314 S CB 0.402 63.507 63.200 -0.158 0.000 0.921 314 S HN 0.614 nan 8.310 nan 0.000 0.527 315 Y N 1.802 122.003 120.300 -0.165 0.000 2.467 315 Y HA 0.349 4.883 4.550 -0.027 0.000 0.250 315 Y C 0.943 176.563 175.900 -0.466 0.000 1.155 315 Y CA -0.497 57.311 58.100 -0.487 0.000 1.249 315 Y CB -0.355 37.432 38.460 -1.121 0.000 1.146 315 Y HN 0.688 nan 8.280 nan 0.000 0.524 316 N N 0.459 119.073 118.700 -0.143 0.000 2.686 316 N HA -0.247 4.477 4.740 -0.027 0.000 0.261 316 N C 0.227 175.782 175.510 0.075 0.000 1.001 316 N CA 0.797 53.827 53.050 -0.033 0.000 0.764 316 N CB -1.525 36.949 38.487 -0.021 0.000 0.898 316 N HN 0.266 nan 8.380 nan 0.000 0.544 317 F N 0.570 120.679 119.950 0.264 0.000 2.102 317 F HA -0.100 4.410 4.527 -0.027 0.000 0.298 317 F C 2.603 178.700 175.800 0.494 0.000 1.105 317 F CA 1.349 59.560 58.000 0.350 0.000 1.239 317 F CB -0.799 38.375 39.000 0.289 0.000 0.991 317 F HN 0.397 nan 8.300 nan 0.000 0.474 318 A N 0.138 123.292 122.820 0.557 0.000 1.865 318 A HA -0.186 4.118 4.320 -0.027 0.000 0.217 318 A C 2.278 180.050 177.584 0.314 0.000 1.191 318 A CA 1.674 53.915 52.037 0.340 0.000 0.623 318 A CB -1.300 17.559 19.000 -0.236 0.000 0.826 318 A HN 0.380 nan 8.150 nan 0.000 0.444 319 L N -0.197 121.131 121.223 0.175 0.000 2.079 319 L HA -0.184 4.139 4.340 -0.027 0.000 0.210 319 L C 2.598 179.544 176.870 0.127 0.000 1.081 319 L CA 1.917 56.813 54.840 0.094 0.000 0.752 319 L CB -0.107 41.935 42.059 -0.029 0.000 0.896 319 L HN 0.347 nan 8.230 nan 0.000 0.433 320 S N -1.486 114.336 115.700 0.202 0.000 2.453 320 S HA -0.093 4.361 4.470 -0.027 0.000 0.231 320 S C 1.822 176.579 174.600 0.262 0.000 1.005 320 S CA 1.071 59.387 58.200 0.193 0.000 0.949 320 S CB -0.096 63.222 63.200 0.197 0.000 0.774 320 S HN 0.702 nan 8.310 nan 0.000 0.510 321 S N 0.480 116.399 115.700 0.366 0.000 2.540 321 S HA 0.273 4.727 4.470 -0.027 0.000 0.218 321 S C 1.468 176.134 174.600 0.109 0.000 0.977 321 S CA -0.272 58.141 58.200 0.354 0.000 0.918 321 S CB -0.508 62.865 63.200 0.290 0.000 0.806 321 S HN 0.389 nan 8.310 nan 0.000 0.496 322 I N 1.161 121.825 120.570 0.156 0.000 2.315 322 I HA -0.200 3.954 4.170 -0.027 0.000 0.251 322 I C 2.260 178.340 176.117 -0.062 0.000 1.125 322 I CA 1.179 62.504 61.300 0.042 0.000 1.392 322 I CB -0.129 37.942 38.000 0.120 0.000 1.065 322 I HN 0.207 nan 8.210 nan 0.000 0.424 323 K N 0.318 120.720 120.400 0.003 0.000 2.217 323 K HA -0.090 4.214 4.320 -0.027 0.000 0.202 323 K C 1.471 178.040 176.600 -0.051 0.000 1.051 323 K CA 1.049 57.330 56.287 -0.011 0.000 0.952 323 K CB -0.230 32.291 32.500 0.034 0.000 0.736 323 K HN 0.327 nan 8.250 nan 0.000 0.453 324 D N -1.106 119.252 120.400 -0.070 0.000 2.431 324 D HA 0.011 4.635 4.640 -0.027 0.000 0.235 324 D C 1.769 177.899 176.300 -0.283 0.000 0.980 324 D CA 0.544 54.462 54.000 -0.135 0.000 0.912 324 D CB 0.182 40.926 40.800 -0.093 0.000 1.056 324 D HN -0.135 nan 8.370 nan 0.000 0.494 325 V N 1.167 120.834 119.914 -0.413 0.000 2.346 325 V HA -0.133 3.971 4.120 -0.027 0.000 0.244 325 V C 2.659 178.414 176.094 -0.565 0.000 1.037 325 V CA 0.866 62.802 62.300 -0.606 0.000 1.029 325 V CB -0.220 31.069 31.823 -0.890 0.000 0.663 325 V HN -0.003 nan 8.190 nan 0.000 0.454 326 V N 0.549 120.116 119.914 -0.578 0.000 2.295 326 V HA -0.147 3.957 4.120 -0.027 0.000 0.246 326 V C 0.055 175.920 176.094 -0.382 0.000 1.049 326 V CA 2.518 64.490 62.300 -0.547 0.000 1.024 326 V CB -1.789 29.746 31.823 -0.479 0.000 0.648 326 V HN 0.507 nan 8.190 nan 0.000 0.447 327 P HA -0.097 nan 4.420 nan 0.000 0.218 327 P C 1.121 178.279 177.300 -0.236 0.000 1.148 327 P CA 1.331 64.297 63.100 -0.224 0.000 0.822 327 P CB -0.124 31.490 31.700 -0.144 0.000 0.784 328 N N -0.910 117.641 118.700 -0.249 0.000 2.188 328 N HA -0.069 4.654 4.740 -0.027 0.000 0.184 328 N C 1.661 177.023 175.510 -0.246 0.000 1.018 328 N CA 0.918 53.832 53.050 -0.226 0.000 0.858 328 N CB -1.024 37.327 38.487 -0.227 0.000 0.989 328 N HN 0.136 nan 8.380 nan 0.000 0.426 329 L N 0.192 121.232 121.223 -0.305 0.000 2.046 329 L HA -0.129 4.195 4.340 -0.027 0.000 0.208 329 L C 2.020 178.693 176.870 -0.329 0.000 1.077 329 L CA 0.901 55.567 54.840 -0.289 0.000 0.747 329 L CB -0.494 41.367 42.059 -0.331 0.000 0.896 329 L HN 0.181 nan 8.230 nan 0.000 0.432 330 L N -0.362 120.596 121.223 -0.442 0.000 2.046 330 L HA -0.203 4.120 4.340 -0.027 0.000 0.208 330 L C 2.356 178.905 176.870 -0.534 0.000 1.077 330 L CA 1.071 55.471 54.840 -0.734 0.000 0.747 330 L CB -0.627 40.801 42.059 -1.051 0.000 0.896 330 L HN 0.342 nan 8.230 nan 0.000 0.432 331 N N 0.143 118.673 118.700 -0.282 0.000 2.223 331 N HA -0.128 4.596 4.740 -0.027 0.000 0.185 331 N C 1.892 177.331 175.510 -0.117 0.000 1.016 331 N CA 1.126 54.105 53.050 -0.117 0.000 0.863 331 N CB -0.268 38.166 38.487 -0.088 0.000 0.983 331 N HN 0.301 nan 8.380 nan 0.000 0.429 332 L N 0.414 121.544 121.223 -0.155 0.000 2.217 332 L HA -0.011 4.313 4.340 -0.027 0.000 0.211 332 L C 1.915 178.707 176.870 -0.131 0.000 1.107 332 L CA 0.363 55.124 54.840 -0.132 0.000 0.783 332 L CB -0.344 41.637 42.059 -0.131 0.000 0.919 332 L HN 0.123 nan 8.230 nan 0.000 0.442 333 L N -0.120 121.014 121.223 -0.149 0.000 2.263 333 L HA -0.197 4.126 4.340 -0.027 0.000 0.216 333 L C 2.348 179.169 176.870 -0.083 0.000 1.111 333 L CA 1.698 56.467 54.840 -0.118 0.000 0.773 333 L CB -0.979 41.013 42.059 -0.111 0.000 0.906 333 L HN 0.457 nan 8.230 nan 0.000 0.439 334 T N -3.761 110.747 114.554 -0.077 0.000 3.219 334 T HA 0.033 4.367 4.350 -0.027 0.000 0.249 334 T C 1.233 175.840 174.700 -0.155 0.000 1.099 334 T CA -0.125 61.904 62.100 -0.119 0.000 0.988 334 T CB -0.181 68.630 68.868 -0.094 0.000 0.999 334 T HN 0.268 nan 8.240 nan 0.000 0.550 335 R N 1.308 121.735 120.500 -0.122 0.000 2.893 335 R HA 0.245 4.568 4.340 -0.027 0.000 0.317 335 R C -0.362 175.891 176.300 -0.079 0.000 1.239 335 R CA -0.304 55.734 56.100 -0.102 0.000 1.128 335 R CB 0.159 30.404 30.300 -0.090 0.000 1.377 335 R HN 0.487 nan 8.270 nan 0.000 0.583 336 Q N 0.798 120.561 119.800 -0.061 0.000 2.454 336 Q HA 0.049 4.373 4.340 -0.027 0.000 0.247 336 Q C -0.006 176.049 176.000 0.092 0.000 1.028 336 Q CA 0.059 55.881 55.803 0.032 0.000 0.910 336 Q CB 0.407 29.258 28.738 0.189 0.000 1.276 336 Q HN 0.055 nan 8.270 nan 0.000 0.489 337 N N 1.953 120.700 118.700 0.079 0.000 2.454 337 N HA -0.074 4.649 4.740 -0.027 0.000 0.254 337 N C 0.625 176.232 175.510 0.162 0.000 1.228 337 N CA -0.006 53.093 53.050 0.082 0.000 0.900 337 N CB 0.613 39.121 38.487 0.035 0.000 1.089 337 N HN 0.548 nan 8.380 nan 0.000 0.449 338 E N 0.456 120.740 120.200 0.141 0.000 2.077 338 E HA -0.148 4.186 4.350 -0.027 0.000 0.193 338 E C -0.206 176.415 176.600 0.036 0.000 0.989 338 E CA 0.999 57.500 56.400 0.168 0.000 0.800 338 E CB -0.069 29.704 29.700 0.122 0.000 0.746 338 E HN 0.548 nan 8.360 nan 0.000 0.452 339 D N 0.900 121.305 120.400 0.008 0.000 2.358 339 D HA -0.006 4.617 4.640 -0.027 0.000 0.258 339 D C -1.677 174.567 176.300 -0.093 0.000 1.223 339 D CA -1.848 52.129 54.000 -0.038 0.000 0.886 339 D CB 1.168 41.970 40.800 0.004 0.000 1.120 339 D HN -0.071 nan 8.370 nan 0.000 0.482 340 P HA -0.065 nan 4.420 nan 0.000 0.234 340 P C -0.001 177.153 177.300 -0.243 0.000 1.167 340 P CA 0.766 63.698 63.100 -0.279 0.000 0.763 340 P CB 0.349 31.807 31.700 -0.403 0.000 0.835 341 E N -0.801 119.332 120.200 -0.112 0.000 2.558 341 E HA 0.020 4.354 4.350 -0.027 0.000 0.205 341 E C 0.691 177.384 176.600 0.155 0.000 1.006 341 E CA -0.087 56.325 56.400 0.020 0.000 0.961 341 E CB 0.053 29.897 29.700 0.241 0.000 1.044 341 E HN 0.081 nan 8.360 nan 0.000 0.465 342 D N 0.831 121.270 120.400 0.065 0.000 2.240 342 D HA -0.118 4.506 4.640 -0.027 0.000 0.206 342 D C 0.680 177.039 176.300 0.098 0.000 0.963 342 D CA 0.836 54.885 54.000 0.081 0.000 0.863 342 D CB 0.321 41.148 40.800 0.045 0.000 0.973 342 D HN -0.067 nan 8.370 nan 0.000 0.501 343 D N -0.385 120.062 120.400 0.078 0.000 2.463 343 D HA -0.198 4.426 4.640 -0.027 0.000 0.165 343 D C -0.609 175.753 176.300 0.103 0.000 1.471 343 D CA 1.516 55.575 54.000 0.097 0.000 1.333 343 D CB -1.136 39.767 40.800 0.170 0.000 1.227 343 D HN 0.347 nan 8.370 nan 0.000 0.427 344 D N -0.028 120.434 120.400 0.104 0.000 2.488 344 D HA -0.019 4.605 4.640 -0.027 0.000 0.238 344 D C 0.382 176.771 176.300 0.148 0.000 1.138 344 D CA 0.005 54.085 54.000 0.134 0.000 0.873 344 D CB 0.122 40.986 40.800 0.107 0.000 1.183 344 D HN 0.186 nan 8.370 nan 0.000 0.458 345 W N 3.057 124.365 121.300 0.013 0.000 2.193 345 W HA 0.025 4.668 4.660 -0.027 0.000 0.338 345 W C -0.007 176.514 176.519 0.004 0.000 1.310 345 W CA 0.134 57.482 57.345 0.004 0.000 1.243 345 W CB 0.207 29.669 29.460 0.004 0.000 1.165 345 W HN 0.539 nan 8.180 nan 0.000 0.566 346 N N 1.359 119.884 118.700 -0.292 0.000 2.825 346 N HA 0.174 4.898 4.740 -0.027 0.000 0.253 346 N C -0.282 175.058 175.510 -0.284 0.000 1.426 346 N CA -0.800 52.162 53.050 -0.146 0.000 0.851 346 N CB 1.452 39.876 38.487 -0.105 0.000 1.470 346 N HN 0.085 nan 8.380 nan 0.000 0.517 347 V N 0.489 120.336 119.914 -0.110 0.000 2.380 347 V HA -0.281 3.823 4.120 -0.027 0.000 0.251 347 V C 2.130 178.123 176.094 -0.168 0.000 1.063 347 V CA 2.997 65.243 62.300 -0.089 0.000 1.055 347 V CB -1.046 30.746 31.823 -0.051 0.000 0.657 347 V HN 0.883 nan 8.190 nan 0.000 0.455 348 S N -0.744 114.831 115.700 -0.208 0.000 2.399 348 S HA -0.244 4.210 4.470 -0.027 0.000 0.231 348 S C 1.900 176.312 174.600 -0.313 0.000 1.022 348 S CA 2.082 60.152 58.200 -0.218 0.000 0.983 348 S CB -0.501 62.592 63.200 -0.179 0.000 0.803 348 S HN 0.640 nan 8.310 nan 0.000 0.480 349 M N 1.140 120.418 119.600 -0.537 0.000 2.236 349 M HA 0.042 4.506 4.480 -0.027 0.000 0.266 349 M C 2.584 178.546 176.300 -0.564 0.000 1.070 349 M CA 1.034 55.838 55.300 -0.826 0.000 1.137 349 M CB -0.567 31.016 32.600 -1.694 0.000 1.378 349 M HN 0.326 nan 8.290 nan 0.000 0.426 350 S N 0.944 116.461 115.700 -0.304 0.000 2.359 350 S HA -0.129 4.325 4.470 -0.027 0.000 0.224 350 S C 2.116 176.756 174.600 0.068 0.000 1.035 350 S CA 1.534 59.829 58.200 0.158 0.000 1.018 350 S CB -0.327 63.003 63.200 0.218 0.000 0.876 350 S HN 0.551 nan 8.310 nan 0.000 0.448 351 A N 1.367 124.161 122.820 -0.042 0.000 1.877 351 A HA 0.057 4.361 4.320 -0.027 0.000 0.216 351 A C 2.357 179.909 177.584 -0.054 0.000 1.186 351 A CA 1.837 53.840 52.037 -0.057 0.000 0.620 351 A CB -1.552 17.376 19.000 -0.119 0.000 0.822 351 A HN 0.527 nan 8.150 nan 0.000 0.443 352 G N -0.390 108.352 108.800 -0.097 0.000 2.476 352 G HA2 -0.083 3.861 3.960 -0.027 0.000 0.218 352 G HA3 -0.083 3.861 3.960 -0.027 0.000 0.218 352 G C 1.773 176.681 174.900 0.014 0.000 1.164 352 G CA 1.784 46.839 45.100 -0.075 0.000 0.768 352 G HN 0.868 nan 8.290 nan 0.000 0.560 353 A N -0.361 122.488 122.820 0.050 0.000 1.902 353 A HA -0.107 4.197 4.320 -0.027 0.000 0.217 353 A C 2.597 180.277 177.584 0.161 0.000 1.181 353 A CA 1.872 53.993 52.037 0.140 0.000 0.623 353 A CB -1.168 17.976 19.000 0.240 0.000 0.818 353 A HN 0.531 nan 8.150 nan 0.000 0.443 354 C N -1.192 118.210 119.300 0.169 0.000 2.440 354 C HA 0.002 4.446 4.460 -0.027 0.000 0.278 354 C C 2.479 177.649 174.990 0.300 0.000 1.295 354 C CA 1.143 60.310 59.018 0.247 0.000 1.738 354 C CB -1.399 26.492 27.740 0.252 0.000 1.987 354 C HN 0.586 nan 8.230 nan 0.000 0.492 355 L N 0.983 122.296 121.223 0.149 0.000 2.046 355 L HA -0.144 4.180 4.340 -0.027 0.000 0.208 355 L C 2.554 179.521 176.870 0.162 0.000 1.077 355 L CA 1.948 56.845 54.840 0.096 0.000 0.747 355 L CB -0.856 41.187 42.059 -0.026 0.000 0.896 355 L HN 0.415 nan 8.230 nan 0.000 0.432 356 Q N -0.992 118.898 119.800 0.150 0.000 2.084 356 Q HA -0.198 4.125 4.340 -0.027 0.000 0.202 356 Q C 2.277 178.361 176.000 0.140 0.000 0.978 356 Q CA 1.880 57.769 55.803 0.143 0.000 0.844 356 Q CB -0.216 28.614 28.738 0.154 0.000 0.898 356 Q HN 0.517 nan 8.270 nan 0.000 0.426 357 L N -0.944 120.375 121.223 0.160 0.000 2.093 357 L HA -0.153 4.170 4.340 -0.027 0.000 0.208 357 L C 2.002 178.934 176.870 0.104 0.000 1.085 357 L CA 0.880 55.788 54.840 0.114 0.000 0.755 357 L CB -0.271 41.850 42.059 0.103 0.000 0.904 357 L HN 0.216 nan 8.230 nan 0.000 0.435 358 F N -0.048 119.941 119.950 0.064 0.000 2.171 358 F HA -0.244 4.267 4.527 -0.027 0.000 0.300 358 F C 2.551 178.379 175.800 0.048 0.000 1.090 358 F CA 1.354 59.391 58.000 0.062 0.000 1.293 358 F CB -0.383 38.641 39.000 0.038 0.000 1.013 358 F HN 0.025 nan 8.300 nan 0.000 0.486 359 A N -0.659 122.294 122.820 0.222 0.000 1.933 359 A HA -0.222 4.082 4.320 -0.027 0.000 0.218 359 A C 2.068 179.703 177.584 0.085 0.000 1.175 359 A CA 1.633 53.744 52.037 0.124 0.000 0.628 359 A CB -0.646 18.397 19.000 0.072 0.000 0.814 359 A HN 0.466 nan 8.150 nan 0.000 0.444 360 Q N -1.062 118.780 119.800 0.070 0.000 2.123 360 Q HA -0.130 4.194 4.340 -0.027 0.000 0.199 360 Q C 2.057 178.075 176.000 0.031 0.000 0.966 360 Q CA 1.331 57.158 55.803 0.040 0.000 0.845 360 Q CB -0.159 28.595 28.738 0.027 0.000 0.907 360 Q HN 0.679 nan 8.270 nan 0.000 0.439 361 N N -0.201 118.509 118.700 0.017 0.000 2.173 361 N HA -0.078 4.646 4.740 -0.027 0.000 0.184 361 N C 1.187 176.714 175.510 0.028 0.000 1.025 361 N CA 1.147 54.191 53.050 -0.011 0.000 0.852 361 N CB -0.028 38.406 38.487 -0.088 0.000 0.998 361 N HN 0.173 nan 8.380 nan 0.000 0.427 362 C N -0.892 118.453 119.300 0.076 0.000 2.865 362 C HA 0.566 5.009 4.460 -0.027 0.000 0.280 362 C C 1.521 176.639 174.990 0.215 0.000 1.255 362 C CA 0.069 59.170 59.018 0.138 0.000 1.705 362 C CB -0.952 26.902 27.740 0.190 0.000 2.080 362 C HN 0.649 nan 8.230 nan 0.000 0.591 363 G N 2.050 110.936 108.800 0.144 0.000 2.536 363 G HA2 -0.336 3.607 3.960 -0.027 0.000 0.280 363 G HA3 -0.336 3.607 3.960 -0.027 0.000 0.280 363 G C 0.625 175.574 174.900 0.080 0.000 1.152 363 G CA 0.664 45.827 45.100 0.105 0.000 0.970 363 G HN 0.288 nan 8.290 nan 0.000 0.549 364 N N 0.633 119.346 118.700 0.021 0.000 2.443 364 N HA -0.012 4.712 4.740 -0.027 0.000 0.184 364 N C 1.693 177.151 175.510 -0.087 0.000 1.037 364 N CA 1.558 54.575 53.050 -0.055 0.000 0.896 364 N CB -0.476 37.940 38.487 -0.118 0.000 0.959 364 N HN 0.703 nan 8.380 nan 0.000 0.442 365 H N -0.654 118.442 119.070 0.044 0.000 2.521 365 H HA 0.042 4.582 4.556 -0.027 0.000 0.286 365 H C 1.606 176.960 175.328 0.045 0.000 1.034 365 H CA 0.553 56.632 56.048 0.050 0.000 1.278 365 H CB 0.139 29.943 29.762 0.071 0.000 1.386 365 H HN 0.106 nan 8.280 nan 0.000 0.567 366 I N -0.109 120.544 120.570 0.138 0.000 3.059 366 I HA -0.087 4.067 4.170 -0.027 0.000 0.270 366 I C 1.436 177.553 176.117 -0.001 0.000 1.238 366 I CA 0.619 61.964 61.300 0.075 0.000 1.478 366 I CB -0.003 38.048 38.000 0.085 0.000 1.097 366 I HN 0.200 nan 8.210 nan 0.000 0.455 367 L N -0.112 121.100 121.223 -0.019 0.000 1.994 367 L HA -0.236 4.088 4.340 -0.027 0.000 0.208 367 L C 2.430 179.243 176.870 -0.095 0.000 1.071 367 L CA 1.775 56.564 54.840 -0.084 0.000 0.745 367 L CB -0.716 41.300 42.059 -0.073 0.000 0.892 367 L HN 0.251 nan 8.230 nan 0.000 0.431 368 E N 0.041 120.213 120.200 -0.047 0.000 2.023 368 E HA -0.217 4.117 4.350 -0.027 0.000 0.196 368 E C -0.568 176.019 176.600 -0.022 0.000 1.003 368 E CA 1.888 58.270 56.400 -0.031 0.000 0.809 368 E CB -0.657 29.044 29.700 0.001 0.000 0.755 368 E HN 0.336 nan 8.360 nan 0.000 0.449 369 P HA -0.122 nan 4.420 nan 0.000 0.217 369 P C 1.482 178.783 177.300 0.002 0.000 1.150 369 P CA 1.092 64.182 63.100 -0.016 0.000 0.832 369 P CB 0.033 31.701 31.700 -0.053 0.000 0.787 370 V N 0.159 120.058 119.914 -0.024 0.000 2.323 370 V HA -0.174 3.930 4.120 -0.027 0.000 0.244 370 V C 2.806 178.946 176.094 0.076 0.000 1.041 370 V CA 1.379 63.685 62.300 0.010 0.000 1.025 370 V CB -1.236 30.564 31.823 -0.039 0.000 0.656 370 V HN -0.022 nan 8.190 nan 0.000 0.451 371 L N 0.048 121.261 121.223 -0.018 0.000 2.046 371 L HA -0.205 4.119 4.340 -0.027 0.000 0.208 371 L C 2.572 179.459 176.870 0.030 0.000 1.077 371 L CA 1.969 56.789 54.840 -0.032 0.000 0.747 371 L CB -0.615 41.287 42.059 -0.261 0.000 0.896 371 L HN 0.437 nan 8.230 nan 0.000 0.432 372 E N 0.472 120.692 120.200 0.032 0.000 2.033 372 E HA -0.326 4.008 4.350 -0.027 0.000 0.199 372 E C 2.156 178.802 176.600 0.077 0.000 1.011 372 E CA 1.996 58.426 56.400 0.050 0.000 0.815 372 E CB -0.280 29.450 29.700 0.049 0.000 0.755 372 E HN 0.362 nan 8.360 nan 0.000 0.451 373 F N 0.648 120.583 119.950 -0.025 0.000 2.126 373 F HA -0.214 4.297 4.527 -0.027 0.000 0.299 373 F C 2.047 177.844 175.800 -0.006 0.000 1.096 373 F CA 1.454 59.440 58.000 -0.024 0.000 1.255 373 F CB -0.217 38.762 39.000 -0.035 0.000 0.997 373 F HN -0.061 nan 8.300 nan 0.000 0.479 374 V N 0.560 120.570 119.914 0.160 0.000 2.295 374 V HA -0.340 3.764 4.120 -0.027 0.000 0.246 374 V C 2.370 178.437 176.094 -0.045 0.000 1.049 374 V CA 2.337 64.686 62.300 0.081 0.000 1.024 374 V CB -0.842 31.108 31.823 0.212 0.000 0.648 374 V HN 0.481 nan 8.190 nan 0.000 0.447 375 E N -0.193 119.995 120.200 -0.021 0.000 2.077 375 E HA -0.315 4.018 4.350 -0.027 0.000 0.193 375 E C 2.220 178.765 176.600 -0.091 0.000 0.989 375 E CA 1.500 57.876 56.400 -0.040 0.000 0.800 375 E CB -0.179 29.520 29.700 -0.001 0.000 0.746 375 E HN 0.511 nan 8.360 nan 0.000 0.452 376 Q N 0.385 120.106 119.800 -0.131 0.000 2.170 376 Q HA -0.065 4.259 4.340 -0.027 0.000 0.203 376 Q C 1.020 176.874 176.000 -0.244 0.000 0.976 376 Q CA 1.615 57.312 55.803 -0.176 0.000 0.858 376 Q CB 0.135 28.756 28.738 -0.194 0.000 0.907 376 Q HN 0.321 nan 8.270 nan 0.000 0.433 377 N N -1.418 117.084 118.700 -0.329 0.000 2.193 377 N HA 0.113 4.837 4.740 -0.027 0.000 0.210 377 N C 1.103 176.491 175.510 -0.204 0.000 1.215 377 N CA 0.026 52.865 53.050 -0.351 0.000 0.901 377 N CB 0.520 38.601 38.487 -0.676 0.000 1.060 377 N HN 0.228 nan 8.380 nan 0.000 0.508 378 I N 1.564 122.045 120.570 -0.148 0.000 2.493 378 I HA -0.151 4.003 4.170 -0.027 0.000 0.254 378 I C 1.470 177.543 176.117 -0.072 0.000 1.160 378 I CA 1.268 62.513 61.300 -0.092 0.000 1.445 378 I CB 0.225 38.173 38.000 -0.087 0.000 1.086 378 I HN 0.063 nan 8.210 nan 0.000 0.433 379 T N -1.807 112.701 114.554 -0.077 0.000 3.134 379 T HA 0.487 4.821 4.350 -0.027 0.000 0.260 379 T C 0.655 175.320 174.700 -0.058 0.000 1.027 379 T CA -0.042 62.023 62.100 -0.057 0.000 0.913 379 T CB -0.143 68.695 68.868 -0.050 0.000 1.046 379 T HN 0.194 nan 8.240 nan 0.000 0.553 380 A N 1.114 123.887 122.820 -0.078 0.000 2.429 380 A HA 0.263 4.566 4.320 -0.027 0.000 0.242 380 A C 1.226 178.780 177.584 -0.051 0.000 1.088 380 A CA -0.143 51.845 52.037 -0.081 0.000 0.784 380 A CB 0.088 19.015 19.000 -0.121 0.000 1.038 380 A HN 0.386 nan 8.150 nan 0.000 0.501 381 D N -0.393 119.978 120.400 -0.049 0.000 2.305 381 D HA -0.026 4.598 4.640 -0.027 0.000 0.206 381 D C 0.277 176.567 176.300 -0.017 0.000 0.974 381 D CA 0.605 54.589 54.000 -0.025 0.000 0.871 381 D CB 0.100 40.885 40.800 -0.025 0.000 0.947 381 D HN 0.659 nan 8.370 nan 0.000 0.516 382 N N 1.218 119.882 118.700 -0.059 0.000 2.472 382 N HA -0.008 4.716 4.740 -0.027 0.000 0.277 382 N C 1.677 177.139 175.510 -0.079 0.000 1.081 382 N CA -0.634 52.353 53.050 -0.105 0.000 0.973 382 N CB 0.979 39.347 38.487 -0.197 0.000 1.105 382 N HN 0.128 nan 8.380 nan 0.000 0.470 383 W N 4.742 126.019 121.300 -0.039 0.000 2.342 383 W HA -0.172 4.472 4.660 -0.027 0.000 0.297 383 W C 0.814 177.311 176.519 -0.037 0.000 1.213 383 W CA 0.456 57.777 57.345 -0.040 0.000 1.251 383 W CB -0.438 28.997 29.460 -0.043 0.000 1.136 383 W HN 0.572 nan 8.180 nan 0.000 0.526 384 R N 0.759 120.745 120.500 -0.858 0.000 2.127 384 R HA -0.135 4.188 4.340 -0.027 0.000 0.238 384 R C 2.080 178.205 176.300 -0.292 0.000 1.134 384 R CA 1.766 57.357 56.100 -0.849 0.000 0.975 384 R CB -0.454 29.253 30.300 -0.988 0.000 0.865 384 R HN 0.300 nan 8.270 nan 0.000 0.447 385 N N 0.384 118.951 118.700 -0.221 0.000 2.290 385 N HA -0.051 4.672 4.740 -0.027 0.000 0.179 385 N C 1.704 177.162 175.510 -0.087 0.000 1.016 385 N CA 0.777 53.742 53.050 -0.142 0.000 0.871 385 N CB 0.029 38.407 38.487 -0.181 0.000 0.987 385 N HN 0.239 nan 8.380 nan 0.000 0.431 386 R N 1.058 121.536 120.500 -0.037 0.000 2.092 386 R HA -0.034 4.290 4.340 -0.027 0.000 0.231 386 R C 1.989 178.327 176.300 0.063 0.000 1.119 386 R CA 0.712 56.816 56.100 0.007 0.000 0.970 386 R CB -0.078 30.242 30.300 0.034 0.000 0.864 386 R HN 0.242 nan 8.270 nan 0.000 0.440 387 E N 1.252 121.522 120.200 0.116 0.000 2.072 387 E HA -0.116 4.218 4.350 -0.027 0.000 0.190 387 E C 1.861 178.538 176.600 0.128 0.000 0.982 387 E CA 1.228 57.716 56.400 0.146 0.000 0.803 387 E CB 0.030 29.873 29.700 0.238 0.000 0.755 387 E HN 0.266 nan 8.360 nan 0.000 0.453 388 A N 1.445 124.336 122.820 0.118 0.000 1.908 388 A HA -0.126 4.178 4.320 -0.027 0.000 0.218 388 A C 2.459 180.241 177.584 0.330 0.000 1.181 388 A CA 2.271 54.426 52.037 0.197 0.000 0.627 388 A CB -0.762 18.394 19.000 0.261 0.000 0.818 388 A HN 0.363 nan 8.150 nan 0.000 0.445 389 A N -0.462 122.499 122.820 0.236 0.000 1.933 389 A HA -0.001 4.302 4.320 -0.027 0.000 0.218 389 A C 2.193 179.914 177.584 0.228 0.000 1.175 389 A CA 1.982 54.144 52.037 0.207 0.000 0.628 389 A CB -0.872 18.126 19.000 -0.003 0.000 0.814 389 A HN 0.592 nan 8.150 nan 0.000 0.444 390 V N -1.342 118.685 119.914 0.188 0.000 2.407 390 V HA -0.205 3.899 4.120 -0.027 0.000 0.245 390 V C 2.443 178.748 176.094 0.353 0.000 1.041 390 V CA 1.889 64.326 62.300 0.228 0.000 1.040 390 V CB -0.919 31.009 31.823 0.176 0.000 0.671 390 V HN 0.539 nan 8.190 nan 0.000 0.455 391 M N 1.892 121.667 119.600 0.292 0.000 2.082 391 M HA -0.143 4.321 4.480 -0.027 0.000 0.258 391 M C 2.168 178.656 176.300 0.314 0.000 1.071 391 M CA 2.381 57.851 55.300 0.283 0.000 1.103 391 M CB -0.946 31.694 32.600 0.065 0.000 1.307 391 M HN 0.286 nan 8.290 nan 0.000 0.409 392 A N -0.842 122.120 122.820 0.236 0.000 1.892 392 A HA -0.226 4.078 4.320 -0.027 0.000 0.218 392 A C 2.208 179.917 177.584 0.209 0.000 1.188 392 A CA 2.099 54.243 52.037 0.177 0.000 0.631 392 A CB -1.470 17.641 19.000 0.185 0.000 0.822 392 A HN 0.647 nan 8.150 nan 0.000 0.447 393 F N 0.838 120.868 119.950 0.132 0.000 2.146 393 F HA 0.001 4.512 4.527 -0.027 0.000 0.298 393 F C 2.376 178.210 175.800 0.056 0.000 1.096 393 F CA 1.578 59.625 58.000 0.078 0.000 1.275 393 F CB -0.545 38.490 39.000 0.059 0.000 1.008 393 F HN 0.225 nan 8.300 nan 0.000 0.480 394 G N -1.194 107.782 108.800 0.293 0.000 2.432 394 G HA2 -0.215 3.728 3.960 -0.027 0.000 0.219 394 G HA3 -0.215 3.728 3.960 -0.027 0.000 0.219 394 G C 1.731 176.634 174.900 0.005 0.000 1.135 394 G CA 0.924 46.015 45.100 -0.015 0.000 0.767 394 G HN 0.398 nan 8.290 nan 0.000 0.550 395 S N 0.429 116.274 115.700 0.241 0.000 2.474 395 S HA -0.045 4.409 4.470 -0.027 0.000 0.235 395 S C 1.907 176.533 174.600 0.043 0.000 0.997 395 S CA 0.995 59.319 58.200 0.205 0.000 0.949 395 S CB -0.182 63.132 63.200 0.189 0.000 0.766 395 S HN 0.695 nan 8.310 nan 0.000 0.517 396 I N -3.127 117.397 120.570 -0.077 0.000 3.914 396 I HA 0.300 4.454 4.170 -0.027 0.000 0.333 396 I C 1.029 177.039 176.117 -0.179 0.000 1.449 396 I CA -0.051 61.173 61.300 -0.126 0.000 1.135 396 I CB -0.024 37.873 38.000 -0.172 0.000 1.073 396 I HN 0.057 nan 8.210 nan 0.000 0.401 397 M N 0.926 120.418 119.600 -0.180 0.000 2.618 397 M HA 0.199 4.663 4.480 -0.027 0.000 0.240 397 M C -0.210 176.029 176.300 -0.102 0.000 1.123 397 M CA 0.707 55.900 55.300 -0.179 0.000 1.060 397 M CB -1.040 31.440 32.600 -0.200 0.000 1.535 397 M HN 0.321 nan 8.290 nan 0.000 0.507 398 D N -0.642 119.720 120.400 -0.064 0.000 2.696 398 D HA 0.527 5.151 4.640 -0.027 0.000 0.251 398 D C 0.524 176.819 176.300 -0.008 0.000 1.188 398 D CA 0.763 54.745 54.000 -0.030 0.000 0.876 398 D CB 1.273 42.063 40.800 -0.017 0.000 1.334 398 D HN 0.290 nan 8.370 nan 0.000 0.540 399 G N 4.083 112.882 108.800 -0.001 0.000 3.246 399 G HA2 -0.136 3.808 3.960 -0.027 0.000 0.196 399 G HA3 -0.136 3.808 3.960 -0.027 0.000 0.196 399 G C -2.126 172.785 174.900 0.018 0.000 2.019 399 G CA -0.379 44.731 45.100 0.017 0.000 1.385 399 G HN 0.558 nan 8.290 nan 0.000 0.484 400 P HA 0.339 nan 4.420 nan 0.000 0.269 400 P C -0.308 176.996 177.300 0.007 0.000 1.211 400 P CA 0.664 63.769 63.100 0.009 0.000 0.781 400 P CB 0.285 31.985 31.700 0.000 0.000 0.877 401 D N 0.046 120.452 120.400 0.010 0.000 2.361 401 D HA -0.005 4.619 4.640 -0.027 0.000 0.239 401 D C 1.109 177.412 176.300 0.006 0.000 1.200 401 D CA -0.232 53.772 54.000 0.007 0.000 0.915 401 D CB 0.538 41.340 40.800 0.003 0.000 1.170 401 D HN 0.264 nan 8.370 nan 0.000 0.444 402 K N 0.586 120.987 120.400 0.001 0.000 2.097 402 K HA -0.128 4.176 4.320 -0.027 0.000 0.206 402 K C 1.696 178.294 176.600 -0.003 0.000 1.049 402 K CA 0.899 57.184 56.287 -0.004 0.000 0.933 402 K CB -0.125 32.373 32.500 -0.002 0.000 0.717 402 K HN 0.394 nan 8.250 nan 0.000 0.442 403 V N 1.632 121.547 119.914 0.001 0.000 2.358 403 V HA -0.233 3.871 4.120 -0.027 0.000 0.246 403 V C 2.471 178.571 176.094 0.009 0.000 1.047 403 V CA 1.558 63.858 62.300 -0.001 0.000 1.035 403 V CB -0.314 31.502 31.823 -0.011 0.000 0.658 403 V HN 0.411 nan 8.190 nan 0.000 0.452 404 Q N -0.024 119.794 119.800 0.030 0.000 2.016 404 Q HA -0.165 4.159 4.340 -0.027 0.000 0.200 404 Q C 2.391 178.493 176.000 0.170 0.000 0.978 404 Q CA 1.551 57.418 55.803 0.107 0.000 0.833 404 Q CB -0.426 28.399 28.738 0.146 0.000 0.895 404 Q HN 0.592 nan 8.270 nan 0.000 0.427 405 R N 0.040 120.591 120.500 0.085 0.000 2.081 405 R HA -0.078 4.245 4.340 -0.027 0.000 0.235 405 R C 2.437 178.734 176.300 -0.004 0.000 1.131 405 R CA 1.697 57.822 56.100 0.042 0.000 0.960 405 R CB -0.463 29.821 30.300 -0.027 0.000 0.856 405 R HN 0.243 nan 8.270 nan 0.000 0.436 406 T N 0.380 114.894 114.554 -0.066 0.000 2.746 406 T HA -0.212 4.122 4.350 -0.027 0.000 0.267 406 T C 1.458 175.947 174.700 -0.352 0.000 1.039 406 T CA 1.462 63.422 62.100 -0.233 0.000 1.142 406 T CB -0.405 68.357 68.868 -0.177 0.000 0.866 406 T HN 0.319 nan 8.240 nan 0.000 0.444 407 Y N 0.758 120.901 120.300 -0.261 0.000 2.114 407 Y HA -0.211 4.323 4.550 -0.027 0.000 0.284 407 Y C 2.038 177.795 175.900 -0.239 0.000 1.143 407 Y CA 1.235 59.170 58.100 -0.274 0.000 1.135 407 Y CB -0.471 37.755 38.460 -0.391 0.000 0.980 407 Y HN 0.218 nan 8.280 nan 0.000 0.499 408 Y N -1.195 119.159 120.300 0.090 0.000 2.373 408 Y HA -0.151 4.382 4.550 -0.027 0.000 0.293 408 Y C 2.523 178.527 175.900 0.173 0.000 1.129 408 Y CA 1.181 59.353 58.100 0.120 0.000 1.226 408 Y CB -0.903 37.704 38.460 0.245 0.000 1.000 408 Y HN -0.015 nan 8.280 nan 0.000 0.549 409 V N -0.229 119.811 119.914 0.209 0.000 2.295 409 V HA -0.352 3.752 4.120 -0.027 0.000 0.246 409 V C 2.050 178.122 176.094 -0.035 0.000 1.049 409 V CA 2.292 64.663 62.300 0.119 0.000 1.024 409 V CB -0.713 31.100 31.823 -0.016 0.000 0.648 409 V HN 0.524 nan 8.190 nan 0.000 0.447 410 H N -0.690 118.305 119.070 -0.125 0.000 2.319 410 H HA -0.210 4.329 4.556 -0.027 0.000 0.297 410 H C 2.564 177.797 175.328 -0.158 0.000 1.097 410 H CA 1.524 57.487 56.048 -0.141 0.000 1.285 410 H CB 0.066 29.773 29.762 -0.092 0.000 1.368 410 H HN 0.375 nan 8.280 nan 0.000 0.495 411 Q N 0.286 120.017 119.800 -0.115 0.000 2.084 411 Q HA -0.038 4.286 4.340 -0.027 0.000 0.202 411 Q C 2.384 178.342 176.000 -0.070 0.000 0.978 411 Q CA 1.347 57.081 55.803 -0.115 0.000 0.844 411 Q CB -0.280 28.376 28.738 -0.137 0.000 0.898 411 Q HN 0.518 nan 8.270 nan 0.000 0.426 412 A N -0.184 122.578 122.820 -0.096 0.000 2.095 412 A HA 0.045 4.349 4.320 -0.027 0.000 0.212 412 A C 1.986 179.406 177.584 -0.272 0.000 1.162 412 A CA 0.096 51.982 52.037 -0.252 0.000 0.753 412 A CB -0.217 18.425 19.000 -0.598 0.000 0.840 412 A HN 0.259 nan 8.150 nan 0.000 0.468 413 L N 0.839 121.934 121.223 -0.212 0.000 2.012 413 L HA -0.046 4.278 4.340 -0.027 0.000 0.210 413 L C -0.834 175.955 176.870 -0.135 0.000 1.073 413 L CA 2.373 57.088 54.840 -0.209 0.000 0.748 413 L CB -1.192 40.682 42.059 -0.308 0.000 0.891 413 L HN 0.149 nan 8.230 nan 0.000 0.431 414 P HA -0.122 nan 4.420 nan 0.000 0.216 414 P C 1.705 178.968 177.300 -0.062 0.000 1.153 414 P CA 1.917 64.995 63.100 -0.037 0.000 0.858 414 P CB -0.075 31.621 31.700 -0.008 0.000 0.789 415 S N -0.993 114.654 115.700 -0.089 0.000 2.428 415 S HA -0.042 4.412 4.470 -0.027 0.000 0.230 415 S C 1.916 176.453 174.600 -0.105 0.000 1.014 415 S CA 0.868 59.013 58.200 -0.092 0.000 0.957 415 S CB -0.962 62.175 63.200 -0.105 0.000 0.784 415 S HN 0.135 nan 8.310 nan 0.000 0.499 416 I N 1.406 121.890 120.570 -0.144 0.000 2.286 416 I HA -0.100 4.054 4.170 -0.027 0.000 0.245 416 I C 1.946 178.017 176.117 -0.076 0.000 1.104 416 I CA 1.011 62.232 61.300 -0.131 0.000 1.397 416 I CB -0.344 37.539 38.000 -0.195 0.000 1.072 416 I HN 0.221 nan 8.210 nan 0.000 0.417 417 L N 0.551 121.731 121.223 -0.072 0.000 2.201 417 L HA -0.189 4.135 4.340 -0.027 0.000 0.212 417 L C 2.205 179.053 176.870 -0.035 0.000 1.105 417 L CA 1.204 56.016 54.840 -0.048 0.000 0.775 417 L CB -0.782 41.251 42.059 -0.043 0.000 0.913 417 L HN 0.337 nan 8.230 nan 0.000 0.440 418 N N 0.628 119.305 118.700 -0.038 0.000 2.309 418 N HA -0.144 4.579 4.740 -0.027 0.000 0.182 418 N C 1.730 177.225 175.510 -0.025 0.000 1.018 418 N CA 0.918 53.950 53.050 -0.029 0.000 0.876 418 N CB -0.081 38.387 38.487 -0.032 0.000 0.972 418 N HN 0.259 nan 8.380 nan 0.000 0.434 419 L N -0.223 120.984 121.223 -0.027 0.000 2.551 419 L HA 0.011 4.335 4.340 -0.027 0.000 0.228 419 L C 1.577 178.442 176.870 -0.009 0.000 1.153 419 L CA 0.201 55.032 54.840 -0.015 0.000 0.851 419 L CB -0.307 41.745 42.059 -0.012 0.000 0.959 419 L HN 0.305 nan 8.230 nan 0.000 0.451 420 M N -0.604 118.989 119.600 -0.012 0.000 2.549 420 M HA -0.095 4.369 4.480 -0.027 0.000 0.260 420 M C 1.265 177.557 176.300 -0.012 0.000 1.076 420 M CA 1.146 56.441 55.300 -0.009 0.000 1.090 420 M CB -0.808 31.785 32.600 -0.012 0.000 1.418 420 M HN 0.283 nan 8.290 nan 0.000 0.486 421 N N 0.307 118.998 118.700 -0.014 0.000 2.280 421 N HA -0.001 4.723 4.740 -0.027 0.000 0.192 421 N C 0.281 175.782 175.510 -0.015 0.000 1.109 421 N CA 0.080 53.121 53.050 -0.014 0.000 0.855 421 N CB 0.451 38.930 38.487 -0.014 0.000 0.974 421 N HN 0.400 nan 8.380 nan 0.000 0.482 422 D N 0.696 121.087 120.400 -0.014 0.000 2.390 422 D HA -0.061 4.563 4.640 -0.027 0.000 0.236 422 D C 0.677 176.961 176.300 -0.026 0.000 1.189 422 D CA 0.371 54.364 54.000 -0.013 0.000 0.887 422 D CB 1.276 42.075 40.800 -0.003 0.000 1.198 422 D HN -0.045 nan 8.370 nan 0.000 0.444 423 Q N 0.282 120.066 119.800 -0.027 0.000 2.402 423 Q HA 0.034 4.358 4.340 -0.027 0.000 0.206 423 Q C 0.212 176.157 176.000 -0.092 0.000 0.919 423 Q CA 0.110 55.885 55.803 -0.046 0.000 0.923 423 Q CB 0.281 29.000 28.738 -0.031 0.000 1.048 423 Q HN 0.236 nan 8.270 nan 0.000 0.515 424 S N -0.145 115.497 115.700 -0.097 0.000 2.489 424 S HA 0.120 4.574 4.470 -0.027 0.000 0.277 424 S C 0.916 175.388 174.600 -0.214 0.000 1.230 424 S CA -0.547 57.529 58.200 -0.207 0.000 1.053 424 S CB 0.519 63.622 63.200 -0.162 0.000 0.955 424 S HN 0.384 nan 8.310 nan 0.000 0.488 425 L N 6.083 127.122 121.223 -0.306 0.000 2.042 425 L HA -0.067 4.256 4.340 -0.027 0.000 0.210 425 L C 2.140 178.854 176.870 -0.260 0.000 1.076 425 L CA 2.049 56.709 54.840 -0.300 0.000 0.749 425 L CB -1.187 40.608 42.059 -0.440 0.000 0.893 425 L HN 0.802 nan 8.230 nan 0.000 0.432 426 Q N -0.744 118.862 119.800 -0.324 0.000 2.096 426 Q HA -0.169 4.155 4.340 -0.027 0.000 0.204 426 Q C 2.195 178.167 176.000 -0.046 0.000 0.982 426 Q CA 2.263 57.945 55.803 -0.202 0.000 0.850 426 Q CB -0.657 27.929 28.738 -0.254 0.000 0.901 426 Q HN 0.476 nan 8.270 nan 0.000 0.422 427 V N 0.878 120.786 119.914 -0.010 0.000 2.295 427 V HA -0.278 3.826 4.120 -0.027 0.000 0.246 427 V C 1.968 178.079 176.094 0.027 0.000 1.049 427 V CA 1.942 64.273 62.300 0.052 0.000 1.024 427 V CB -0.459 31.404 31.823 0.066 0.000 0.648 427 V HN 0.332 nan 8.190 nan 0.000 0.447 428 K N -0.164 120.228 120.400 -0.012 0.000 2.057 428 K HA -0.203 4.101 4.320 -0.027 0.000 0.206 428 K C 2.229 178.843 176.600 0.022 0.000 1.050 428 K CA 1.536 57.822 56.287 -0.001 0.000 0.935 428 K CB -0.176 32.310 32.500 -0.024 0.000 0.715 428 K HN 0.564 nan 8.250 nan 0.000 0.439 429 E N 0.632 120.830 120.200 -0.004 0.000 2.038 429 E HA -0.194 4.139 4.350 -0.027 0.000 0.195 429 E C 1.633 178.289 176.600 0.093 0.000 1.000 429 E CA 1.861 58.274 56.400 0.021 0.000 0.803 429 E CB 0.071 29.742 29.700 -0.048 0.000 0.750 429 E HN 0.166 nan 8.360 nan 0.000 0.448 430 T N -0.024 114.582 114.554 0.086 0.000 2.821 430 T HA -0.108 4.226 4.350 -0.027 0.000 0.267 430 T C 1.853 176.726 174.700 0.287 0.000 1.046 430 T CA 1.551 63.757 62.100 0.177 0.000 1.139 430 T CB -0.402 68.532 68.868 0.111 0.000 0.871 430 T HN 0.239 nan 8.240 nan 0.000 0.454 431 T N 2.070 116.726 114.554 0.169 0.000 2.708 431 T HA -0.055 4.279 4.350 -0.027 0.000 0.266 431 T C 2.424 177.197 174.700 0.123 0.000 1.037 431 T CA 1.196 63.373 62.100 0.128 0.000 1.146 431 T CB -0.572 68.332 68.868 0.060 0.000 0.865 431 T HN 0.440 nan 8.240 nan 0.000 0.435 432 A N 0.590 123.485 122.820 0.126 0.000 1.908 432 A HA -0.151 4.153 4.320 -0.027 0.000 0.218 432 A C 2.065 179.752 177.584 0.173 0.000 1.181 432 A CA 1.827 53.935 52.037 0.118 0.000 0.627 432 A CB -1.230 17.838 19.000 0.114 0.000 0.818 432 A HN 0.744 nan 8.150 nan 0.000 0.445 433 W N -0.158 121.173 121.300 0.052 0.000 2.358 433 W HA -0.239 4.404 4.660 -0.028 0.000 0.303 433 W C 2.478 179.032 176.519 0.059 0.000 1.208 433 W CA 1.667 59.049 57.345 0.061 0.000 1.274 433 W CB -0.750 28.742 29.460 0.054 0.000 1.138 433 W HN 0.390 nan 8.180 nan 0.000 0.515 434 C N 0.768 120.088 119.300 0.034 0.000 2.429 434 C HA -0.206 4.238 4.460 -0.027 0.000 0.277 434 C C 2.700 177.581 174.990 -0.183 0.000 1.262 434 C CA 1.773 60.673 59.018 -0.198 0.000 1.733 434 C CB -1.512 26.301 27.740 0.122 0.000 2.010 434 C HN 0.451 nan 8.230 nan 0.000 0.483 435 I N 1.238 121.760 120.570 -0.079 0.000 2.208 435 I HA -0.108 4.046 4.170 -0.027 0.000 0.245 435 I C 2.748 178.794 176.117 -0.117 0.000 1.097 435 I CA 1.823 63.076 61.300 -0.079 0.000 1.363 435 I CB -0.928 37.043 38.000 -0.048 0.000 1.051 435 I HN 0.535 nan 8.210 nan 0.000 0.413 436 G N 0.634 109.350 108.800 -0.140 0.000 2.408 436 G HA2 -0.174 3.770 3.960 -0.027 0.000 0.217 436 G HA3 -0.174 3.770 3.960 -0.027 0.000 0.217 436 G C 1.793 176.558 174.900 -0.225 0.000 1.150 436 G CA 0.208 45.225 45.100 -0.140 0.000 0.776 436 G HN 0.158 nan 8.290 nan 0.000 0.542 437 R N 0.271 120.521 120.500 -0.416 0.000 2.081 437 R HA 0.030 4.354 4.340 -0.027 0.000 0.235 437 R C 2.559 178.720 176.300 -0.231 0.000 1.131 437 R CA 0.768 56.619 56.100 -0.416 0.000 0.960 437 R CB -0.871 28.998 30.300 -0.719 0.000 0.856 437 R HN 0.440 nan 8.270 nan 0.000 0.436 438 I N 0.794 121.259 120.570 -0.175 0.000 2.099 438 I HA -0.285 3.868 4.170 -0.027 0.000 0.239 438 I C 2.593 178.659 176.117 -0.086 0.000 1.066 438 I CA 1.569 62.814 61.300 -0.092 0.000 1.324 438 I CB -0.544 37.432 38.000 -0.040 0.000 1.037 438 I HN 0.110 nan 8.210 nan 0.000 0.401 439 A N 0.004 122.770 122.820 -0.090 0.000 1.940 439 A HA -0.316 3.988 4.320 -0.027 0.000 0.219 439 A C 1.967 179.511 177.584 -0.067 0.000 1.176 439 A CA 2.539 54.532 52.037 -0.074 0.000 0.631 439 A CB -0.727 18.227 19.000 -0.077 0.000 0.814 439 A HN 0.466 nan 8.150 nan 0.000 0.446 440 D N -1.444 118.908 120.400 -0.080 0.000 2.162 440 D HA 0.007 4.630 4.640 -0.027 0.000 0.203 440 D C 2.036 178.304 176.300 -0.054 0.000 0.967 440 D CA 1.461 55.423 54.000 -0.063 0.000 0.840 440 D CB 0.193 40.951 40.800 -0.071 0.000 0.972 440 D HN 0.358 nan 8.370 nan 0.000 0.482 441 S N -1.236 114.422 115.700 -0.069 0.000 2.499 441 S HA 0.123 4.577 4.470 -0.027 0.000 0.225 441 S C 0.522 175.094 174.600 -0.047 0.000 1.050 441 S CA -0.094 58.072 58.200 -0.057 0.000 0.928 441 S CB 1.448 64.605 63.200 -0.072 0.000 0.803 441 S HN 0.097 nan 8.310 nan 0.000 0.506 442 V N 1.510 121.393 119.914 -0.053 0.000 2.468 442 V HA 0.551 4.655 4.120 -0.027 0.000 0.256 442 V C 0.853 176.927 176.094 -0.033 0.000 0.998 442 V CA -0.415 61.859 62.300 -0.043 0.000 1.114 442 V CB 0.016 31.806 31.823 -0.055 0.000 1.378 442 V HN 0.299 nan 8.190 nan 0.000 0.573 443 A N 1.018 123.824 122.820 -0.023 0.000 2.014 443 A HA -0.064 4.239 4.320 -0.027 0.000 0.218 443 A C 1.945 179.535 177.584 0.011 0.000 1.163 443 A CA 1.570 53.599 52.037 -0.013 0.000 0.652 443 A CB -0.059 18.932 19.000 -0.015 0.000 0.808 443 A HN 0.661 nan 8.150 nan 0.000 0.449 444 E N 0.753 120.964 120.200 0.017 0.000 2.204 444 E HA -0.125 4.209 4.350 -0.027 0.000 0.194 444 E C 2.078 178.722 176.600 0.074 0.000 0.989 444 E CA 1.321 57.746 56.400 0.041 0.000 0.824 444 E CB -0.374 29.346 29.700 0.034 0.000 0.756 444 E HN 0.750 nan 8.360 nan 0.000 0.477 445 S N 0.548 116.273 115.700 0.042 0.000 2.515 445 S HA -0.016 4.438 4.470 -0.027 0.000 0.231 445 S C 0.973 175.705 174.600 0.220 0.000 0.987 445 S CA 0.095 58.330 58.200 0.059 0.000 0.936 445 S CB -0.451 62.656 63.200 -0.155 0.000 0.766 445 S HN 0.151 nan 8.310 nan 0.000 0.528 446 I N 3.228 123.880 120.570 0.137 0.000 2.293 446 I HA 0.196 4.350 4.170 -0.027 0.000 0.299 446 I C 0.041 176.280 176.117 0.203 0.000 1.153 446 I CA -0.468 60.931 61.300 0.165 0.000 1.302 446 I CB -0.251 37.778 38.000 0.048 0.000 1.460 446 I HN 0.092 nan 8.210 nan 0.000 0.552 447 D N 8.383 128.969 120.400 0.308 0.000 2.450 447 D HA 0.063 4.687 4.640 -0.027 0.000 0.247 447 D C -1.468 174.865 176.300 0.055 0.000 1.162 447 D CA -1.218 52.846 54.000 0.107 0.000 0.879 447 D CB 1.249 42.011 40.800 -0.063 0.000 1.163 447 D HN 0.217 nan 8.370 nan 0.000 0.472 448 P HA -0.162 nan 4.420 nan 0.000 0.216 448 P C 0.765 178.112 177.300 0.078 0.000 1.150 448 P CA 1.262 64.408 63.100 0.078 0.000 0.837 448 P CB 0.258 32.011 31.700 0.088 0.000 0.786 449 Q N -1.486 118.328 119.800 0.024 0.000 2.226 449 Q HA -0.009 4.315 4.340 -0.027 0.000 0.199 449 Q C 2.282 178.252 176.000 -0.049 0.000 0.945 449 Q CA 1.134 56.943 55.803 0.010 0.000 0.861 449 Q CB -0.575 28.156 28.738 -0.012 0.000 0.953 449 Q HN 0.255 nan 8.270 nan 0.000 0.490 450 Q N -1.209 118.496 119.800 -0.157 0.000 2.137 450 Q HA -0.080 4.244 4.340 -0.027 0.000 0.198 450 Q C 0.854 176.665 176.000 -0.314 0.000 0.960 450 Q CA 1.263 56.871 55.803 -0.325 0.000 0.847 450 Q CB 0.237 28.614 28.738 -0.601 0.000 0.915 450 Q HN 0.565 nan 8.270 nan 0.000 0.448 451 H N -1.963 117.088 119.070 -0.031 0.000 2.735 451 H HA 0.059 4.598 4.556 -0.027 0.000 0.250 451 H C 1.460 176.741 175.328 -0.078 0.000 0.948 451 H CA 0.078 56.101 56.048 -0.041 0.000 1.137 451 H CB 0.475 30.227 29.762 -0.016 0.000 1.440 451 H HN 0.089 nan 8.280 nan 0.000 0.444 452 L N 2.232 123.468 121.223 0.022 0.000 2.046 452 L HA -0.022 4.302 4.340 -0.027 0.000 0.208 452 L C -1.065 175.586 176.870 -0.365 0.000 1.077 452 L CA 1.648 56.394 54.840 -0.156 0.000 0.747 452 L CB -0.642 41.333 42.059 -0.140 0.000 0.896 452 L HN 0.093 nan 8.230 nan 0.000 0.432 453 P HA -0.094 nan 4.420 nan 0.000 0.216 453 P C 1.541 178.773 177.300 -0.115 0.000 1.150 453 P CA 1.739 64.756 63.100 -0.138 0.000 0.837 453 P CB -0.323 31.452 31.700 0.124 0.000 0.786 454 G N -0.685 108.075 108.800 -0.068 0.000 2.408 454 G HA2 -0.141 3.803 3.960 -0.027 0.000 0.215 454 G HA3 -0.141 3.803 3.960 -0.027 0.000 0.215 454 G C 1.594 176.451 174.900 -0.072 0.000 1.156 454 G CA 0.312 45.387 45.100 -0.040 0.000 0.793 454 G HN 0.132 nan 8.290 nan 0.000 0.535 455 V N 0.645 120.497 119.914 -0.104 0.000 2.295 455 V HA -0.168 3.936 4.120 -0.027 0.000 0.246 455 V C 2.995 178.996 176.094 -0.155 0.000 1.049 455 V CA 1.447 63.674 62.300 -0.121 0.000 1.024 455 V CB -0.429 31.318 31.823 -0.126 0.000 0.648 455 V HN 0.225 nan 8.190 nan 0.000 0.447 456 V N -0.299 119.462 119.914 -0.255 0.000 2.252 456 V HA -0.362 3.742 4.120 -0.027 0.000 0.249 456 V C 2.518 178.538 176.094 -0.123 0.000 1.056 456 V CA 2.525 64.675 62.300 -0.249 0.000 1.022 456 V CB -0.706 30.838 31.823 -0.466 0.000 0.641 456 V HN 0.578 nan 8.190 nan 0.000 0.445 457 Q N 0.318 120.063 119.800 -0.091 0.000 2.061 457 Q HA -0.195 4.128 4.340 -0.027 0.000 0.204 457 Q C 2.119 178.094 176.000 -0.041 0.000 0.984 457 Q CA 2.414 58.194 55.803 -0.039 0.000 0.846 457 Q CB -0.705 28.023 28.738 -0.017 0.000 0.902 457 Q HN 0.620 nan 8.270 nan 0.000 0.421 458 A N -0.825 121.965 122.820 -0.049 0.000 1.933 458 A HA -0.204 4.100 4.320 -0.027 0.000 0.218 458 A C 2.422 179.982 177.584 -0.039 0.000 1.175 458 A CA 1.540 53.553 52.037 -0.039 0.000 0.628 458 A CB -1.076 17.900 19.000 -0.041 0.000 0.814 458 A HN 0.607 nan 8.150 nan 0.000 0.444 459 C N -0.910 118.357 119.300 -0.054 0.000 2.440 459 C HA 0.011 4.455 4.460 -0.027 0.000 0.278 459 C C 2.619 177.577 174.990 -0.054 0.000 1.295 459 C CA 0.854 59.840 59.018 -0.054 0.000 1.738 459 C CB -1.424 26.271 27.740 -0.076 0.000 1.987 459 C HN 0.628 nan 8.230 nan 0.000 0.492 460 L N 0.461 121.653 121.223 -0.052 0.000 2.056 460 L HA -0.124 4.200 4.340 -0.027 0.000 0.207 460 L C 2.538 179.387 176.870 -0.037 0.000 1.078 460 L CA 1.151 55.964 54.840 -0.046 0.000 0.749 460 L CB -0.562 41.477 42.059 -0.033 0.000 0.901 460 L HN 0.271 nan 8.230 nan 0.000 0.433 461 I N 0.261 120.814 120.570 -0.029 0.000 2.142 461 I HA -0.195 3.959 4.170 -0.027 0.000 0.240 461 I C 2.691 178.797 176.117 -0.019 0.000 1.078 461 I CA 1.871 63.158 61.300 -0.021 0.000 1.343 461 I CB -2.026 35.963 38.000 -0.017 0.000 1.046 461 I HN 0.244 nan 8.210 nan 0.000 0.405 462 G N 1.046 109.836 108.800 -0.017 0.000 2.432 462 G HA2 -0.177 3.767 3.960 -0.027 0.000 0.219 462 G HA3 -0.177 3.767 3.960 -0.027 0.000 0.219 462 G C 1.829 176.722 174.900 -0.013 0.000 1.135 462 G CA 0.216 45.312 45.100 -0.008 0.000 0.767 462 G HN 0.328 nan 8.290 nan 0.000 0.550 463 L N -0.335 120.868 121.223 -0.033 0.000 2.353 463 L HA -0.046 4.278 4.340 -0.027 0.000 0.220 463 L C 2.698 179.542 176.870 -0.043 0.000 1.133 463 L CA 0.837 55.647 54.840 -0.050 0.000 0.798 463 L CB -0.078 41.935 42.059 -0.077 0.000 0.922 463 L HN 0.334 nan 8.230 nan 0.000 0.445 464 Q N -1.476 118.305 119.800 -0.031 0.000 2.282 464 Q HA 0.052 4.376 4.340 -0.027 0.000 0.206 464 Q C 0.360 176.354 176.000 -0.010 0.000 0.878 464 Q CA -0.180 55.608 55.803 -0.025 0.000 0.944 464 Q CB 0.776 29.499 28.738 -0.025 0.000 1.100 464 Q HN 0.404 nan 8.270 nan 0.000 0.509 465 D N -0.429 119.972 120.400 0.001 0.000 2.496 465 D HA 0.003 4.627 4.640 -0.027 0.000 0.283 465 D C -0.242 176.087 176.300 0.048 0.000 1.214 465 D CA -0.381 53.635 54.000 0.026 0.000 1.089 465 D CB 0.670 41.486 40.800 0.028 0.000 1.141 465 D HN 0.086 nan 8.370 nan 0.000 0.580 466 H N 0.132 119.186 119.070 -0.027 0.000 2.948 466 H HA -0.005 4.535 4.556 -0.027 0.000 0.351 466 H C -1.674 173.649 175.328 -0.008 0.000 1.079 466 H CA -0.650 55.384 56.048 -0.024 0.000 1.407 466 H CB 1.370 31.090 29.762 -0.070 0.000 1.373 466 H HN 0.095 nan 8.280 nan 0.000 0.605 467 P HA -0.152 nan 4.420 nan 0.000 0.217 467 P C 1.247 178.600 177.300 0.089 0.000 1.148 467 P CA 1.768 64.841 63.100 -0.047 0.000 0.828 467 P CB 0.191 31.910 31.700 0.031 0.000 0.783 468 K N -0.654 119.823 120.400 0.129 0.000 2.097 468 K HA -0.080 4.224 4.320 -0.027 0.000 0.206 468 K C 1.880 178.525 176.600 0.075 0.000 1.049 468 K CA 1.223 57.535 56.287 0.042 0.000 0.933 468 K CB -0.592 31.807 32.500 -0.167 0.000 0.717 468 K HN 0.018 nan 8.250 nan 0.000 0.442 469 V N 0.996 120.963 119.914 0.088 0.000 2.307 469 V HA -0.210 3.894 4.120 -0.027 0.000 0.245 469 V C 2.309 178.441 176.094 0.063 0.000 1.045 469 V CA 1.944 64.282 62.300 0.064 0.000 1.024 469 V CB -0.649 31.201 31.823 0.046 0.000 0.651 469 V HN 0.328 nan 8.190 nan 0.000 0.449 470 A N -0.058 122.791 122.820 0.048 0.000 1.940 470 A HA -0.234 4.070 4.320 -0.027 0.000 0.219 470 A C 2.396 179.982 177.584 0.003 0.000 1.176 470 A CA 2.553 54.597 52.037 0.011 0.000 0.631 470 A CB -0.992 18.004 19.000 -0.007 0.000 0.814 470 A HN 0.503 nan 8.150 nan 0.000 0.446 471 T N 0.611 115.200 114.554 0.059 0.000 2.708 471 T HA -0.129 4.205 4.350 -0.027 0.000 0.266 471 T C 1.843 176.640 174.700 0.161 0.000 1.037 471 T CA 1.567 63.715 62.100 0.079 0.000 1.146 471 T CB -0.392 68.611 68.868 0.225 0.000 0.865 471 T HN 0.496 nan 8.240 nan 0.000 0.435 472 N N 0.567 119.409 118.700 0.236 0.000 2.188 472 N HA -0.037 4.687 4.740 -0.027 0.000 0.184 472 N C 1.962 177.592 175.510 0.200 0.000 1.018 472 N CA 0.645 53.882 53.050 0.311 0.000 0.858 472 N CB -0.714 37.934 38.487 0.267 0.000 0.989 472 N HN 0.398 nan 8.380 nan 0.000 0.426 473 C N -0.126 119.226 119.300 0.086 0.000 2.435 473 C HA 0.049 4.493 4.460 -0.027 0.000 0.279 473 C C 2.860 177.830 174.990 -0.034 0.000 1.321 473 C CA 0.419 59.449 59.018 0.021 0.000 1.752 473 C CB -0.984 26.750 27.740 -0.012 0.000 1.959 473 C HN 0.398 nan 8.230 nan 0.000 0.500 474 S N -0.227 115.406 115.700 -0.112 0.000 2.348 474 S HA -0.192 4.262 4.470 -0.027 0.000 0.221 474 S C 1.470 175.960 174.600 -0.184 0.000 1.033 474 S CA 1.507 59.561 58.200 -0.243 0.000 1.010 474 S CB -0.402 62.530 63.200 -0.446 0.000 0.891 474 S HN 0.804 nan 8.310 nan 0.000 0.442 475 W N 1.678 122.991 121.300 0.022 0.000 2.350 475 W HA -0.117 4.525 4.660 -0.030 0.000 0.289 475 W C 2.674 179.190 176.519 -0.005 0.000 1.215 475 W CA 0.941 58.302 57.345 0.027 0.000 1.236 475 W CB -0.974 28.526 29.460 0.067 0.000 1.130 475 W HN 0.207 nan 8.180 nan 0.000 0.541 476 T N 0.987 115.652 114.554 0.183 0.000 2.777 476 T HA -0.179 4.155 4.350 -0.027 0.000 0.266 476 T C 1.672 176.369 174.700 -0.005 0.000 1.040 476 T CA 1.469 63.606 62.100 0.062 0.000 1.141 476 T CB -0.380 68.507 68.868 0.031 0.000 0.868 476 T HN 0.069 nan 8.240 nan 0.000 0.444 477 I N 0.539 121.087 120.570 -0.036 0.000 2.226 477 I HA -0.135 4.019 4.170 -0.027 0.000 0.245 477 I C 2.188 178.249 176.117 -0.093 0.000 1.100 477 I CA 1.150 62.396 61.300 -0.090 0.000 1.374 477 I CB -0.384 37.541 38.000 -0.126 0.000 1.057 477 I HN 0.225 nan 8.210 nan 0.000 0.413 478 I N 0.804 121.349 120.570 -0.042 0.000 2.127 478 I HA -0.349 3.805 4.170 -0.027 0.000 0.241 478 I C 2.287 178.379 176.117 -0.043 0.000 1.075 478 I CA 1.496 62.786 61.300 -0.017 0.000 1.334 478 I CB -0.616 37.453 38.000 0.114 0.000 1.040 478 I HN 0.308 nan 8.210 nan 0.000 0.405 479 N N 1.023 119.725 118.700 0.004 0.000 2.036 479 N HA -0.200 4.523 4.740 -0.027 0.000 0.195 479 N C 1.935 177.396 175.510 -0.081 0.000 1.037 479 N CA 1.343 54.376 53.050 -0.028 0.000 0.855 479 N CB -0.729 37.750 38.487 -0.014 0.000 1.033 479 N HN 0.282 nan 8.380 nan 0.000 0.423 480 L N 0.504 121.673 121.223 -0.089 0.000 1.978 480 L HA -0.234 4.090 4.340 -0.027 0.000 0.218 480 L C 2.187 178.968 176.870 -0.149 0.000 1.075 480 L CA 1.433 56.207 54.840 -0.111 0.000 0.767 480 L CB -0.514 41.472 42.059 -0.120 0.000 0.890 480 L HN 0.046 nan 8.230 nan 0.000 0.434 481 V N -0.430 119.366 119.914 -0.198 0.000 2.270 481 V HA -0.272 3.832 4.120 -0.027 0.000 0.245 481 V C 2.320 178.135 176.094 -0.465 0.000 1.043 481 V CA 1.858 63.984 62.300 -0.290 0.000 1.014 481 V CB -0.562 31.092 31.823 -0.282 0.000 0.645 481 V HN 0.467 nan 8.190 nan 0.000 0.447 482 E N -0.263 119.631 120.200 -0.510 0.000 2.097 482 E HA -0.276 4.058 4.350 -0.027 0.000 0.196 482 E C 2.363 178.854 176.600 -0.182 0.000 1.000 482 E CA 1.462 57.567 56.400 -0.493 0.000 0.804 482 E CB -0.140 29.448 29.700 -0.187 0.000 0.740 482 E HN 0.583 nan 8.360 nan 0.000 0.454 483 Q N -0.146 119.582 119.800 -0.121 0.000 2.123 483 Q HA 0.009 4.333 4.340 -0.027 0.000 0.196 483 Q C 2.155 178.138 176.000 -0.028 0.000 0.958 483 Q CA 0.771 56.547 55.803 -0.045 0.000 0.841 483 Q CB 0.139 28.853 28.738 -0.040 0.000 0.915 483 Q HN 0.344 nan 8.270 nan 0.000 0.455 484 L N 0.134 121.319 121.223 -0.063 0.000 2.592 484 L HA 0.204 4.528 4.340 -0.027 0.000 0.227 484 L C 1.722 178.579 176.870 -0.021 0.000 1.127 484 L CA 0.044 54.864 54.840 -0.034 0.000 0.884 484 L CB -0.089 41.941 42.059 -0.048 0.000 1.065 484 L HN 0.012 nan 8.230 nan 0.000 0.457 485 A N -0.464 122.352 122.820 -0.007 0.000 2.178 485 A HA -0.037 4.267 4.320 -0.027 0.000 0.211 485 A C 1.964 179.681 177.584 0.223 0.000 1.157 485 A CA 0.568 52.679 52.037 0.123 0.000 0.780 485 A CB 0.023 19.174 19.000 0.252 0.000 0.828 485 A HN 0.255 nan 8.150 nan 0.000 0.476 486 E N 0.178 120.472 120.200 0.157 0.000 2.371 486 E HA 0.278 4.612 4.350 -0.027 0.000 0.194 486 E C 0.936 177.602 176.600 0.110 0.000 1.012 486 E CA 0.475 56.958 56.400 0.138 0.000 0.860 486 E CB -0.079 29.691 29.700 0.116 0.000 0.811 486 E HN 0.562 nan 8.360 nan 0.000 0.502 487 A N 0.327 123.208 122.820 0.101 0.000 2.540 487 A HA -0.010 4.294 4.320 -0.027 0.000 0.239 487 A C 1.355 178.995 177.584 0.092 0.000 1.061 487 A CA 0.447 52.536 52.037 0.086 0.000 0.758 487 A CB 0.280 19.327 19.000 0.079 0.000 0.991 487 A HN 0.143 nan 8.150 nan 0.000 0.502 488 T N 2.302 116.898 114.554 0.071 0.000 2.708 488 T HA -0.001 4.333 4.350 -0.027 0.000 0.266 488 T C -1.081 173.655 174.700 0.061 0.000 1.037 488 T CA 1.763 63.899 62.100 0.060 0.000 1.146 488 T CB -0.857 68.037 68.868 0.045 0.000 0.865 488 T HN 0.737 nan 8.240 nan 0.000 0.435 489 P HA 0.471 nan 4.420 nan 0.000 0.284 489 P C -1.243 176.115 177.300 0.096 0.000 1.432 489 P CA -0.212 62.929 63.100 0.069 0.000 0.929 489 P CB 1.094 32.826 31.700 0.054 0.000 1.158 490 S N 4.155 119.936 115.700 0.135 0.000 2.416 490 S HA 0.340 4.794 4.470 -0.027 0.000 0.287 490 S C -1.290 173.428 174.600 0.195 0.000 1.139 490 S CA -1.237 57.073 58.200 0.182 0.000 1.058 490 S CB 0.400 63.781 63.200 0.301 0.000 0.967 490 S HN 0.267 nan 8.310 nan 0.000 0.495 491 P HA 0.161 nan 4.420 nan 0.000 0.252 491 P C 1.181 178.630 177.300 0.247 0.000 1.218 491 P CA -0.057 63.151 63.100 0.180 0.000 0.807 491 P CB 0.108 31.910 31.700 0.169 0.000 1.072 492 I N -0.917 119.731 120.570 0.130 0.000 2.546 492 I HA -0.162 3.992 4.170 -0.027 0.000 0.255 492 I C 1.780 177.991 176.117 0.158 0.000 1.163 492 I CA 1.147 62.514 61.300 0.112 0.000 1.457 492 I CB -0.652 37.287 38.000 -0.102 0.000 1.092 492 I HN -0.216 nan 8.210 nan 0.000 0.434 493 Y N 0.422 120.846 120.300 0.208 0.000 2.352 493 Y HA -0.122 4.411 4.550 -0.029 0.000 0.292 493 Y C 2.300 178.252 175.900 0.086 0.000 1.136 493 Y CA 0.976 59.134 58.100 0.096 0.000 1.227 493 Y CB -0.946 37.457 38.460 -0.096 0.000 0.991 493 Y HN 0.232 nan 8.280 nan 0.000 0.545 494 N N -0.303 118.475 118.700 0.130 0.000 2.272 494 N HA -0.158 4.566 4.740 -0.027 0.000 0.185 494 N C 0.866 176.193 175.510 -0.306 0.000 1.014 494 N CA 1.286 54.241 53.050 -0.158 0.000 0.870 494 N CB -0.492 37.771 38.487 -0.373 0.000 0.975 494 N HN 0.345 nan 8.380 nan 0.000 0.433 495 F N -1.531 118.490 119.950 0.120 0.000 2.695 495 F HA 0.216 4.726 4.527 -0.028 0.000 0.303 495 F C 1.520 177.378 175.800 0.098 0.000 1.091 495 F CA -0.590 57.456 58.000 0.076 0.000 1.300 495 F CB -0.189 38.825 39.000 0.023 0.000 1.071 495 F HN -0.109 nan 8.300 nan 0.000 0.578 496 Y N 1.638 122.015 120.300 0.128 0.000 2.081 496 Y HA -0.179 4.354 4.550 -0.029 0.000 0.280 496 Y C -0.353 175.582 175.900 0.060 0.000 1.163 496 Y CA 1.917 60.075 58.100 0.096 0.000 1.135 496 Y CB -1.883 36.665 38.460 0.147 0.000 0.970 496 Y HN -0.017 nan 8.280 nan 0.000 0.498 497 P HA -0.202 nan 4.420 nan 0.000 0.215 497 P C 1.290 178.609 177.300 0.032 0.000 1.153 497 P CA 2.493 65.645 63.100 0.088 0.000 0.853 497 P CB -0.183 31.555 31.700 0.064 0.000 0.788 498 A N -1.044 121.805 122.820 0.048 0.000 1.929 498 A HA -0.084 4.220 4.320 -0.027 0.000 0.216 498 A C 2.214 179.792 177.584 -0.010 0.000 1.176 498 A CA 1.095 53.149 52.037 0.030 0.000 0.628 498 A CB -1.537 17.510 19.000 0.079 0.000 0.816 498 A HN 0.080 nan 8.150 nan 0.000 0.444 499 L N -0.616 120.597 121.223 -0.017 0.000 2.017 499 L HA -0.160 4.164 4.340 -0.027 0.000 0.208 499 L C 2.537 179.310 176.870 -0.161 0.000 1.073 499 L CA 1.127 55.906 54.840 -0.102 0.000 0.745 499 L CB -0.563 41.405 42.059 -0.152 0.000 0.894 499 L HN 0.232 nan 8.230 nan 0.000 0.432 500 V N 0.077 119.887 119.914 -0.173 0.000 2.343 500 V HA -0.343 3.761 4.120 -0.027 0.000 0.247 500 V C 2.161 178.148 176.094 -0.178 0.000 1.051 500 V CA 2.235 64.427 62.300 -0.180 0.000 1.036 500 V CB -0.471 31.283 31.823 -0.116 0.000 0.654 500 V HN 0.526 nan 8.190 nan 0.000 0.451 501 D N 0.076 120.399 120.400 -0.128 0.000 2.117 501 D HA -0.126 4.498 4.640 -0.027 0.000 0.197 501 D C 2.164 178.369 176.300 -0.158 0.000 0.987 501 D CA 1.508 55.428 54.000 -0.134 0.000 0.829 501 D CB -0.370 40.384 40.800 -0.076 0.000 0.961 501 D HN 0.370 nan 8.370 nan 0.000 0.460 502 G N 0.019 108.738 108.800 -0.135 0.000 2.408 502 G HA2 -0.176 3.768 3.960 -0.027 0.000 0.217 502 G HA3 -0.176 3.768 3.960 -0.027 0.000 0.217 502 G C 1.689 176.478 174.900 -0.184 0.000 1.150 502 G CA 0.480 45.498 45.100 -0.135 0.000 0.776 502 G HN 0.319 nan 8.290 nan 0.000 0.542 503 L N -0.008 121.082 121.223 -0.222 0.000 2.093 503 L HA 0.052 4.376 4.340 -0.027 0.000 0.208 503 L C 2.800 179.436 176.870 -0.390 0.000 1.085 503 L CA 0.512 55.187 54.840 -0.276 0.000 0.755 503 L CB -0.260 41.638 42.059 -0.268 0.000 0.904 503 L HN 0.187 nan 8.230 nan 0.000 0.435 504 I N -0.325 119.965 120.570 -0.466 0.000 2.179 504 I HA -0.212 3.941 4.170 -0.027 0.000 0.242 504 I C 2.642 178.436 176.117 -0.539 0.000 1.088 504 I CA 1.397 62.235 61.300 -0.771 0.000 1.357 504 I CB -0.847 36.668 38.000 -0.808 0.000 1.051 504 I HN 0.279 nan 8.210 nan 0.000 0.409 505 G N 0.637 109.247 108.800 -0.316 0.000 2.476 505 G HA2 -0.325 3.619 3.960 -0.027 0.000 0.218 505 G HA3 -0.325 3.619 3.960 -0.027 0.000 0.218 505 G C 1.818 176.623 174.900 -0.158 0.000 1.164 505 G CA 1.012 46.002 45.100 -0.184 0.000 0.768 505 G HN 0.512 nan 8.290 nan 0.000 0.560 506 A N 0.919 123.628 122.820 -0.186 0.000 1.930 506 A HA 0.370 4.673 4.320 -0.027 0.000 0.217 506 A C 2.747 180.236 177.584 -0.159 0.000 1.175 506 A CA 2.021 53.968 52.037 -0.151 0.000 0.627 506 A CB -0.638 18.267 19.000 -0.158 0.000 0.815 506 A HN 0.875 nan 8.150 nan 0.000 0.443 507 A N -0.365 122.285 122.820 -0.283 0.000 2.121 507 A HA -0.091 4.213 4.320 -0.027 0.000 0.218 507 A C 1.631 179.215 177.584 0.000 0.000 1.154 507 A CA 1.415 53.243 52.037 -0.348 0.000 0.679 507 A CB -0.432 18.033 19.000 -0.892 0.000 0.795 507 A HN 0.458 nan 8.150 nan 0.000 0.458 508 N N 0.231 118.941 118.700 0.016 0.000 2.336 508 N HA 0.008 4.732 4.740 -0.027 0.000 0.189 508 N C 0.544 176.099 175.510 0.075 0.000 1.113 508 N CA 0.012 53.134 53.050 0.120 0.000 0.858 508 N CB -0.058 38.484 38.487 0.091 0.000 0.970 508 N HN 0.662 nan 8.380 nan 0.000 0.471 509 R N 0.060 120.586 120.500 0.043 0.000 2.827 509 R HA 0.046 4.370 4.340 -0.027 0.000 0.269 509 R C 1.193 177.523 176.300 0.050 0.000 1.048 509 R CA -0.402 55.717 56.100 0.032 0.000 1.173 509 R CB 0.371 30.678 30.300 0.010 0.000 1.070 509 R HN -0.126 nan 8.270 nan 0.000 0.498 510 I N 0.004 120.592 120.570 0.031 0.000 2.361 510 I HA -0.221 3.932 4.170 -0.027 0.000 0.251 510 I C -0.044 176.091 176.117 0.030 0.000 1.133 510 I CA 1.704 63.021 61.300 0.029 0.000 1.413 510 I CB -0.473 37.536 38.000 0.015 0.000 1.073 510 I HN 0.922 nan 8.210 nan 0.000 0.424 511 D N -2.474 117.942 120.400 0.026 0.000 2.812 511 D HA 0.193 4.817 4.640 -0.027 0.000 0.318 511 D C -0.425 175.894 176.300 0.032 0.000 1.234 511 D CA -0.637 53.376 54.000 0.021 0.000 0.989 511 D CB -0.113 40.683 40.800 -0.007 0.000 1.442 511 D HN -0.149 nan 8.370 nan 0.000 0.537 512 N N -0.578 118.135 118.700 0.022 0.000 2.546 512 N HA 0.129 4.853 4.740 -0.027 0.000 0.286 512 N C -1.018 174.490 175.510 -0.003 0.000 1.259 512 N CA -0.449 52.622 53.050 0.036 0.000 0.939 512 N CB -0.069 38.450 38.487 0.053 0.000 1.243 512 N HN 0.459 nan 8.380 nan 0.000 0.511 513 E N -0.119 120.056 120.200 -0.041 0.000 2.384 513 E HA 0.025 4.358 4.350 -0.027 0.000 0.266 513 E C -0.410 176.176 176.600 -0.023 0.000 1.012 513 E CA -0.352 55.954 56.400 -0.157 0.000 0.901 513 E CB 0.091 29.657 29.700 -0.222 0.000 0.967 513 E HN 0.157 nan 8.360 nan 0.000 0.435 514 F N 1.771 121.745 119.950 0.041 0.000 3.048 514 F HA -0.376 4.134 4.527 -0.028 0.000 0.287 514 F C 0.883 176.741 175.800 0.097 0.000 0.796 514 F CA 1.142 59.186 58.000 0.072 0.000 1.111 514 F CB -2.348 36.698 39.000 0.076 0.000 1.320 514 F HN 1.001 nan 8.300 nan 0.000 0.430 515 N N -2.051 116.758 118.700 0.181 0.000 2.782 515 N HA -0.271 4.453 4.740 -0.027 0.000 0.251 515 N C 1.134 176.735 175.510 0.151 0.000 1.101 515 N CA 0.487 53.642 53.050 0.175 0.000 0.764 515 N CB -0.901 37.727 38.487 0.235 0.000 1.122 515 N HN 0.638 nan 8.380 nan 0.000 0.561 516 A N 0.405 123.300 122.820 0.126 0.000 1.968 516 A HA -0.108 4.196 4.320 -0.027 0.000 0.217 516 A C 2.036 179.634 177.584 0.022 0.000 1.169 516 A CA 1.634 53.709 52.037 0.063 0.000 0.638 516 A CB -0.269 18.767 19.000 0.061 0.000 0.812 516 A HN 0.525 nan 8.150 nan 0.000 0.446 517 R N -0.488 120.055 120.500 0.072 0.000 2.062 517 R HA 0.052 4.375 4.340 -0.027 0.000 0.226 517 R C 2.296 178.732 176.300 0.226 0.000 1.125 517 R CA 1.252 57.424 56.100 0.121 0.000 0.966 517 R CB -0.386 30.018 30.300 0.175 0.000 0.861 517 R HN 0.369 nan 8.270 nan 0.000 0.433 518 A N 0.450 123.391 122.820 0.202 0.000 1.908 518 A HA -0.145 4.159 4.320 -0.027 0.000 0.218 518 A C 2.184 179.819 177.584 0.085 0.000 1.181 518 A CA 1.936 54.097 52.037 0.206 0.000 0.627 518 A CB -0.691 18.402 19.000 0.156 0.000 0.818 518 A HN 0.441 nan 8.150 nan 0.000 0.445 519 S N -0.098 115.562 115.700 -0.068 0.000 2.365 519 S HA -0.179 4.275 4.470 -0.027 0.000 0.225 519 S C 2.294 176.649 174.600 -0.409 0.000 1.039 519 S CA 1.522 59.447 58.200 -0.460 0.000 1.033 519 S CB -0.548 62.345 63.200 -0.513 0.000 0.887 519 S HN 0.845 nan 8.310 nan 0.000 0.447 520 A N 0.546 123.227 122.820 -0.232 0.000 1.930 520 A HA -0.006 4.298 4.320 -0.027 0.000 0.217 520 A C 1.867 179.312 177.584 -0.232 0.000 1.175 520 A CA 1.243 53.124 52.037 -0.260 0.000 0.627 520 A CB -0.835 17.999 19.000 -0.276 0.000 0.815 520 A HN 0.449 nan 8.150 nan 0.000 0.443 521 F N 1.039 120.947 119.950 -0.070 0.000 2.134 521 F HA -0.163 4.347 4.527 -0.028 0.000 0.299 521 F C 2.841 178.622 175.800 -0.032 0.000 1.097 521 F CA 1.766 59.764 58.000 -0.004 0.000 1.264 521 F CB -0.476 38.548 39.000 0.040 0.000 1.001 521 F HN 0.160 nan 8.300 nan 0.000 0.479 522 S N 0.127 115.876 115.700 0.081 0.000 2.370 522 S HA -0.233 4.221 4.470 -0.027 0.000 0.226 522 S C 2.374 176.957 174.600 -0.027 0.000 1.033 522 S CA 1.072 59.282 58.200 0.017 0.000 1.011 522 S CB -0.910 62.244 63.200 -0.076 0.000 0.852 522 S HN 0.386 nan 8.310 nan 0.000 0.457 523 A N 1.594 124.323 122.820 -0.151 0.000 1.908 523 A HA -0.046 4.257 4.320 -0.027 0.000 0.218 523 A C 2.137 179.676 177.584 -0.074 0.000 1.181 523 A CA 1.267 53.222 52.037 -0.136 0.000 0.627 523 A CB -0.802 18.066 19.000 -0.220 0.000 0.818 523 A HN 0.463 nan 8.150 nan 0.000 0.445 524 L N -0.732 120.455 121.223 -0.061 0.000 2.131 524 L HA -0.151 4.172 4.340 -0.027 0.000 0.210 524 L C 2.736 179.654 176.870 0.081 0.000 1.092 524 L CA 1.616 56.450 54.840 -0.011 0.000 0.759 524 L CB -0.806 41.249 42.059 -0.007 0.000 0.903 524 L HN 0.368 nan 8.230 nan 0.000 0.435 525 T N -1.347 113.275 114.554 0.113 0.000 2.708 525 T HA -0.175 4.158 4.350 -0.027 0.000 0.266 525 T C 1.912 176.712 174.700 0.167 0.000 1.037 525 T CA 1.887 64.075 62.100 0.146 0.000 1.146 525 T CB -0.296 68.660 68.868 0.147 0.000 0.865 525 T HN 0.324 nan 8.240 nan 0.000 0.435 526 T N 2.824 117.473 114.554 0.158 0.000 2.684 526 T HA -0.084 4.250 4.350 -0.027 0.000 0.267 526 T C 2.104 176.972 174.700 0.279 0.000 1.036 526 T CA 1.106 63.346 62.100 0.234 0.000 1.148 526 T CB -0.323 68.624 68.868 0.131 0.000 0.863 526 T HN 0.182 nan 8.240 nan 0.000 0.436 527 M N 0.891 120.567 119.600 0.127 0.000 2.106 527 M HA -0.078 4.385 4.480 -0.027 0.000 0.259 527 M C 2.465 178.967 176.300 0.336 0.000 1.068 527 M CA 1.234 56.607 55.300 0.123 0.000 1.100 527 M CB -1.640 30.892 32.600 -0.112 0.000 1.351 527 M HN 0.141 nan 8.290 nan 0.000 0.404 528 V N 0.178 120.235 119.914 0.239 0.000 2.307 528 V HA -0.229 3.874 4.120 -0.027 0.000 0.245 528 V C 2.283 178.503 176.094 0.211 0.000 1.045 528 V CA 1.689 64.121 62.300 0.220 0.000 1.024 528 V CB -0.709 31.213 31.823 0.164 0.000 0.651 528 V HN 0.477 nan 8.190 nan 0.000 0.449 529 E N -0.980 119.346 120.200 0.210 0.000 2.110 529 E HA -0.223 4.111 4.350 -0.027 0.000 0.193 529 E C 1.917 178.550 176.600 0.055 0.000 0.988 529 E CA 1.642 58.111 56.400 0.114 0.000 0.804 529 E CB -0.133 29.629 29.700 0.105 0.000 0.745 529 E HN 0.725 nan 8.360 nan 0.000 0.458 530 Y N 0.059 120.486 120.300 0.211 0.000 2.482 530 Y HA 0.254 4.790 4.550 -0.023 0.000 0.270 530 Y C 0.876 176.954 175.900 0.297 0.000 1.152 530 Y CA -0.182 58.072 58.100 0.257 0.000 1.292 530 Y CB 0.219 38.849 38.460 0.282 0.000 1.070 530 Y HN -0.089 nan 8.280 nan 0.000 0.528 531 A N 0.880 123.926 122.820 0.375 0.000 2.547 531 A HA 0.298 4.602 4.320 -0.027 0.000 0.233 531 A C 0.793 178.364 177.584 -0.021 0.000 1.067 531 A CA 0.767 52.901 52.037 0.162 0.000 0.763 531 A CB -0.244 18.872 19.000 0.193 0.000 1.007 531 A HN 0.336 nan 8.150 nan 0.000 0.506 532 T N -1.410 113.002 114.554 -0.237 0.000 2.926 532 T HA 0.485 4.819 4.350 -0.027 0.000 0.289 532 T C 0.211 174.790 174.700 -0.200 0.000 1.054 532 T CA -0.313 61.615 62.100 -0.286 0.000 1.015 532 T CB 1.181 69.711 68.868 -0.564 0.000 1.167 532 T HN 0.459 nan 8.240 nan 0.000 0.526 533 D N 0.739 121.045 120.400 -0.157 0.000 2.228 533 D HA -0.082 4.542 4.640 -0.027 0.000 0.203 533 D C 1.932 178.163 176.300 -0.116 0.000 0.988 533 D CA 1.336 55.271 54.000 -0.107 0.000 0.864 533 D CB -0.588 40.160 40.800 -0.088 0.000 0.928 533 D HN 0.649 nan 8.370 nan 0.000 0.469 534 T N 0.116 114.564 114.554 -0.177 0.000 2.833 534 T HA -0.073 4.261 4.350 -0.027 0.000 0.269 534 T C 1.595 176.222 174.700 -0.123 0.000 1.054 534 T CA 1.142 63.145 62.100 -0.162 0.000 1.135 534 T CB 0.112 68.841 68.868 -0.232 0.000 0.869 534 T HN 0.183 nan 8.240 nan 0.000 0.466 535 V N -0.921 118.907 119.914 -0.144 0.000 2.933 535 V HA 0.761 4.865 4.120 -0.027 0.000 0.374 535 V C 1.666 177.762 176.094 0.004 0.000 1.321 535 V CA -0.251 62.013 62.300 -0.060 0.000 1.290 535 V CB -0.629 31.135 31.823 -0.099 0.000 1.346 535 V HN 0.248 nan 8.190 nan 0.000 0.560 536 A N 0.709 123.522 122.820 -0.011 0.000 1.933 536 A HA -0.190 4.113 4.320 -0.027 0.000 0.218 536 A C 2.121 179.726 177.584 0.035 0.000 1.175 536 A CA 2.070 54.114 52.037 0.012 0.000 0.628 536 A CB -0.310 18.687 19.000 -0.004 0.000 0.814 536 A HN 0.735 nan 8.150 nan 0.000 0.444 537 E N -0.362 119.858 120.200 0.032 0.000 2.110 537 E HA -0.185 4.149 4.350 -0.027 0.000 0.193 537 E C 1.995 178.631 176.600 0.060 0.000 0.988 537 E CA 1.803 58.227 56.400 0.039 0.000 0.804 537 E CB -0.156 29.561 29.700 0.029 0.000 0.745 537 E HN 0.721 nan 8.360 nan 0.000 0.458 538 T N -2.458 112.149 114.554 0.087 0.000 3.054 538 T HA 0.068 4.402 4.350 -0.027 0.000 0.259 538 T C 2.029 176.809 174.700 0.134 0.000 1.092 538 T CA 0.954 63.123 62.100 0.115 0.000 1.121 538 T CB 0.089 69.060 68.868 0.172 0.000 0.912 538 T HN -0.014 nan 8.240 nan 0.000 0.489 539 S N 0.798 116.580 115.700 0.138 0.000 2.387 539 S HA 0.185 4.638 4.470 -0.027 0.000 0.226 539 S C 2.429 177.091 174.600 0.102 0.000 1.026 539 S CA 0.976 59.257 58.200 0.135 0.000 0.972 539 S CB -0.796 62.474 63.200 0.117 0.000 0.814 539 S HN 0.752 nan 8.310 nan 0.000 0.477 540 A N 0.519 123.387 122.820 0.080 0.000 1.972 540 A HA -0.018 4.286 4.320 -0.027 0.000 0.219 540 A C 2.308 179.939 177.584 0.079 0.000 1.169 540 A CA 1.831 53.910 52.037 0.069 0.000 0.635 540 A CB -0.842 18.189 19.000 0.051 0.000 0.810 540 A HN 0.498 nan 8.150 nan 0.000 0.446 541 S N -0.157 115.590 115.700 0.079 0.000 2.382 541 S HA -0.122 4.332 4.470 -0.027 0.000 0.228 541 S C 1.771 176.441 174.600 0.117 0.000 1.027 541 S CA 1.533 59.781 58.200 0.079 0.000 0.991 541 S CB -0.456 62.773 63.200 0.049 0.000 0.823 541 S HN 0.592 nan 8.310 nan 0.000 0.469 542 I N 0.515 121.156 120.570 0.119 0.000 2.193 542 I HA -0.130 4.024 4.170 -0.027 0.000 0.240 542 I C 2.652 178.899 176.117 0.217 0.000 1.084 542 I CA 0.973 62.375 61.300 0.169 0.000 1.365 542 I CB -0.579 37.503 38.000 0.137 0.000 1.064 542 I HN 0.260 nan 8.210 nan 0.000 0.410 543 S N 0.373 116.163 115.700 0.151 0.000 2.365 543 S HA -0.230 4.224 4.470 -0.027 0.000 0.225 543 S C 2.122 176.786 174.600 0.107 0.000 1.039 543 S CA 2.447 60.719 58.200 0.120 0.000 1.033 543 S CB -0.408 62.844 63.200 0.086 0.000 0.887 543 S HN 0.429 nan 8.310 nan 0.000 0.447 544 T N 1.382 116.001 114.554 0.109 0.000 2.665 544 T HA -0.122 4.212 4.350 -0.027 0.000 0.268 544 T C 1.344 176.119 174.700 0.125 0.000 1.035 544 T CA 1.676 63.833 62.100 0.096 0.000 1.151 544 T CB -0.578 68.345 68.868 0.092 0.000 0.862 544 T HN 0.556 nan 8.240 nan 0.000 0.438 545 F N 2.378 122.350 119.950 0.037 0.000 2.102 545 F HA -0.134 4.376 4.527 -0.028 0.000 0.298 545 F C 2.325 178.170 175.800 0.075 0.000 1.105 545 F CA 1.353 59.379 58.000 0.042 0.000 1.239 545 F CB -0.620 38.394 39.000 0.023 0.000 0.991 545 F HN 0.064 nan 8.300 nan 0.000 0.474 546 V N -1.616 118.275 119.914 -0.038 0.000 2.719 546 V HA -0.156 3.948 4.120 -0.027 0.000 0.252 546 V C 2.147 178.177 176.094 -0.107 0.000 1.065 546 V CA 1.585 63.818 62.300 -0.111 0.000 1.086 546 V CB -0.801 31.102 31.823 0.133 0.000 0.700 546 V HN 0.434 nan 8.190 nan 0.000 0.467 547 M N 1.177 120.742 119.600 -0.058 0.000 2.123 547 M HA -0.010 4.454 4.480 -0.027 0.000 0.263 547 M C 1.879 178.127 176.300 -0.088 0.000 1.069 547 M CA 2.062 57.326 55.300 -0.059 0.000 1.133 547 M CB -0.803 31.778 32.600 -0.032 0.000 1.356 547 M HN 0.467 nan 8.290 nan 0.000 0.415 548 D N -0.188 120.156 120.400 -0.093 0.000 2.106 548 D HA -0.221 4.402 4.640 -0.027 0.000 0.191 548 D C 1.934 178.144 176.300 -0.151 0.000 0.997 548 D CA 1.449 55.390 54.000 -0.099 0.000 0.834 548 D CB -0.013 40.747 40.800 -0.067 0.000 0.956 548 D HN 0.137 nan 8.370 nan 0.000 0.448 549 K N -0.479 119.750 120.400 -0.286 0.000 2.148 549 K HA -0.035 4.269 4.320 -0.027 0.000 0.204 549 K C 2.029 178.541 176.600 -0.147 0.000 1.050 549 K CA 0.328 56.452 56.287 -0.271 0.000 0.942 549 K CB -0.440 31.765 32.500 -0.492 0.000 0.724 549 K HN 0.103 nan 8.250 nan 0.000 0.446 550 L N -0.226 120.920 121.223 -0.128 0.000 2.027 550 L HA 0.021 4.345 4.340 -0.027 0.000 0.206 550 L C 1.994 178.826 176.870 -0.064 0.000 1.074 550 L CA 2.204 56.996 54.840 -0.080 0.000 0.745 550 L CB -1.017 41.006 42.059 -0.061 0.000 0.898 550 L HN 0.259 nan 8.230 nan 0.000 0.433 551 G N -1.752 107.007 108.800 -0.069 0.000 2.471 551 G HA2 -0.221 3.723 3.960 -0.027 0.000 0.219 551 G HA3 -0.221 3.723 3.960 -0.027 0.000 0.219 551 G C 1.456 176.332 174.900 -0.041 0.000 1.125 551 G CA 0.591 45.659 45.100 -0.054 0.000 0.775 551 G HN 0.518 nan 8.290 nan 0.000 0.548 552 Q N -0.082 119.691 119.800 -0.046 0.000 2.096 552 Q HA -0.071 4.253 4.340 -0.027 0.000 0.197 552 Q C 2.977 178.963 176.000 -0.023 0.000 0.964 552 Q CA 1.582 57.367 55.803 -0.031 0.000 0.838 552 Q CB -0.179 28.541 28.738 -0.032 0.000 0.906 552 Q HN 0.629 nan 8.270 nan 0.000 0.444 553 T N -1.329 113.208 114.554 -0.028 0.000 2.867 553 T HA -0.075 4.259 4.350 -0.027 0.000 0.268 553 T C 1.745 176.438 174.700 -0.012 0.000 1.057 553 T CA 0.887 62.975 62.100 -0.019 0.000 1.136 553 T CB -0.103 68.749 68.868 -0.026 0.000 0.874 553 T HN 0.122 nan 8.240 nan 0.000 0.466 554 M N 1.995 121.587 119.600 -0.014 0.000 2.619 554 M HA 0.109 4.573 4.480 -0.027 0.000 0.251 554 M C 2.308 178.606 176.300 -0.003 0.000 1.106 554 M CA 0.975 56.271 55.300 -0.006 0.000 1.086 554 M CB -0.158 32.435 32.600 -0.011 0.000 1.465 554 M HN 0.533 nan 8.290 nan 0.000 0.506 555 S N -0.946 114.750 115.700 -0.006 0.000 2.548 555 S HA 0.129 4.583 4.470 -0.027 0.000 0.215 555 S C 0.569 175.168 174.600 -0.001 0.000 0.976 555 S CA -0.505 57.693 58.200 -0.003 0.000 0.908 555 S CB -0.368 62.828 63.200 -0.006 0.000 0.781 555 S HN 0.144 nan 8.310 nan 0.000 0.519 556 V N 3.267 123.180 119.914 -0.001 0.000 2.572 556 V HA 0.214 4.318 4.120 -0.027 0.000 0.291 556 V C 0.245 176.340 176.094 0.001 0.000 1.039 556 V CA -0.489 61.810 62.300 -0.001 0.000 1.055 556 V CB 0.782 32.603 31.823 -0.003 0.000 0.969 556 V HN 0.347 nan 8.190 nan 0.000 0.482 557 D N 3.712 124.112 120.400 0.001 0.000 2.344 557 D HA 0.088 4.712 4.640 -0.027 0.000 0.253 557 D C 1.128 177.427 176.300 -0.000 0.000 1.255 557 D CA 0.115 54.116 54.000 0.002 0.000 0.894 557 D CB 0.949 41.750 40.800 0.002 0.000 1.067 557 D HN 0.649 nan 8.370 nan 0.000 0.492 558 E N 2.374 122.575 120.200 0.001 0.000 2.150 558 E HA -0.163 4.170 4.350 -0.027 0.000 0.193 558 E C 1.277 177.874 176.600 -0.005 0.000 0.985 558 E CA 0.462 56.860 56.400 -0.003 0.000 0.814 558 E CB 0.166 29.867 29.700 0.001 0.000 0.752 558 E HN 0.449 nan 8.360 nan 0.000 0.466 559 N N 1.020 119.720 118.700 -0.001 0.000 2.192 559 N HA -0.176 4.548 4.740 -0.027 0.000 0.188 559 N C 1.502 177.009 175.510 -0.004 0.000 1.013 559 N CA 1.054 54.103 53.050 -0.001 0.000 0.863 559 N CB -0.066 38.422 38.487 0.002 0.000 0.990 559 N HN 0.294 nan 8.380 nan 0.000 0.430 560 Q N -0.033 119.764 119.800 -0.005 0.000 2.392 560 Q HA 0.162 4.486 4.340 -0.027 0.000 0.203 560 Q C 0.384 176.379 176.000 -0.009 0.000 0.917 560 Q CA 0.008 55.808 55.803 -0.006 0.000 0.939 560 Q CB 0.502 29.238 28.738 -0.004 0.000 1.063 560 Q HN 0.399 nan 8.270 nan 0.000 0.516 561 L N 2.423 123.639 121.223 -0.012 0.000 2.380 561 L HA 0.090 4.414 4.340 -0.027 0.000 0.273 561 L C 1.098 177.956 176.870 -0.021 0.000 1.138 561 L CA -0.279 54.550 54.840 -0.018 0.000 0.832 561 L CB 0.641 42.686 42.059 -0.023 0.000 1.124 561 L HN 0.068 nan 8.230 nan 0.000 0.454 562 T N -0.469 114.072 114.554 -0.021 0.000 2.726 562 T HA 0.079 4.412 4.350 -0.027 0.000 0.294 562 T C 1.158 175.839 174.700 -0.032 0.000 1.013 562 T CA -0.691 61.395 62.100 -0.023 0.000 0.996 562 T CB 0.794 69.650 68.868 -0.021 0.000 1.016 562 T HN 0.356 nan 8.240 nan 0.000 0.529 563 L N 0.638 121.841 121.223 -0.033 0.000 2.012 563 L HA -0.000 4.323 4.340 -0.027 0.000 0.210 563 L C 2.816 179.655 176.870 -0.052 0.000 1.073 563 L CA 2.100 56.915 54.840 -0.041 0.000 0.748 563 L CB -1.378 40.660 42.059 -0.035 0.000 0.891 563 L HN 1.001 nan 8.230 nan 0.000 0.431 564 E N -1.013 119.160 120.200 -0.045 0.000 2.072 564 E HA -0.216 4.118 4.350 -0.027 0.000 0.191 564 E C 1.542 178.110 176.600 -0.053 0.000 0.985 564 E CA 1.309 57.679 56.400 -0.050 0.000 0.801 564 E CB 0.079 29.754 29.700 -0.042 0.000 0.750 564 E HN 0.440 nan 8.360 nan 0.000 0.452 565 D N 0.405 120.779 120.400 -0.043 0.000 2.144 565 D HA -0.076 4.548 4.640 -0.027 0.000 0.200 565 D C 1.802 178.071 176.300 -0.051 0.000 0.978 565 D CA 1.210 55.186 54.000 -0.039 0.000 0.833 565 D CB -0.295 40.489 40.800 -0.027 0.000 0.961 565 D HN 0.302 nan 8.370 nan 0.000 0.470 566 A N 0.658 123.442 122.820 -0.060 0.000 1.908 566 A HA -0.259 4.045 4.320 -0.027 0.000 0.218 566 A C 2.139 179.647 177.584 -0.126 0.000 1.181 566 A CA 1.724 53.714 52.037 -0.079 0.000 0.627 566 A CB -0.704 18.252 19.000 -0.075 0.000 0.818 566 A HN 0.218 nan 8.150 nan 0.000 0.445 567 Q N -0.843 118.876 119.800 -0.135 0.000 2.084 567 Q HA -0.154 4.169 4.340 -0.027 0.000 0.202 567 Q C 2.410 178.316 176.000 -0.156 0.000 0.978 567 Q CA 1.743 57.434 55.803 -0.188 0.000 0.844 567 Q CB -0.180 28.474 28.738 -0.139 0.000 0.898 567 Q HN 0.645 nan 8.270 nan 0.000 0.426 568 S N -0.191 115.454 115.700 -0.092 0.000 2.368 568 S HA -0.128 4.325 4.470 -0.027 0.000 0.224 568 S C 1.815 176.390 174.600 -0.042 0.000 1.029 568 S CA 0.877 59.045 58.200 -0.053 0.000 0.988 568 S CB -0.214 62.965 63.200 -0.035 0.000 0.838 568 S HN 0.396 nan 8.310 nan 0.000 0.462 569 L N 1.748 122.942 121.223 -0.049 0.000 2.017 569 L HA -0.050 4.273 4.340 -0.027 0.000 0.208 569 L C 2.474 179.326 176.870 -0.030 0.000 1.073 569 L CA 1.934 56.753 54.840 -0.035 0.000 0.745 569 L CB -0.854 41.186 42.059 -0.031 0.000 0.894 569 L HN 0.347 nan 8.230 nan 0.000 0.432 570 Q N -0.527 119.232 119.800 -0.067 0.000 2.062 570 Q HA -0.288 4.036 4.340 -0.027 0.000 0.209 570 Q C 2.103 178.186 176.000 0.138 0.000 0.996 570 Q CA 2.587 58.372 55.803 -0.031 0.000 0.859 570 Q CB -0.155 28.338 28.738 -0.408 0.000 0.920 570 Q HN 0.637 nan 8.270 nan 0.000 0.415 571 E N -0.179 120.064 120.200 0.072 0.000 2.158 571 E HA -0.137 4.197 4.350 -0.027 0.000 0.191 571 E C 1.930 178.547 176.600 0.028 0.000 0.982 571 E CA 0.395 56.895 56.400 0.166 0.000 0.823 571 E CB -0.026 29.744 29.700 0.115 0.000 0.766 571 E HN 0.194 nan 8.360 nan 0.000 0.468 572 L N 1.571 122.777 121.223 -0.029 0.000 2.017 572 L HA -0.241 4.083 4.340 -0.027 0.000 0.208 572 L C 2.117 178.859 176.870 -0.213 0.000 1.073 572 L CA 1.887 56.648 54.840 -0.132 0.000 0.745 572 L CB -0.361 41.662 42.059 -0.059 0.000 0.894 572 L HN 0.039 nan 8.230 nan 0.000 0.432 573 Q N -1.116 118.629 119.800 -0.091 0.000 2.084 573 Q HA -0.216 4.108 4.340 -0.027 0.000 0.202 573 Q C 2.420 178.371 176.000 -0.080 0.000 0.978 573 Q CA 1.744 57.502 55.803 -0.074 0.000 0.844 573 Q CB -0.347 28.392 28.738 0.002 0.000 0.898 573 Q HN 0.637 nan 8.270 nan 0.000 0.426 574 S N 0.833 116.518 115.700 -0.026 0.000 2.368 574 S HA -0.215 4.239 4.470 -0.027 0.000 0.226 574 S C 1.641 176.165 174.600 -0.127 0.000 1.044 574 S CA 1.684 59.852 58.200 -0.053 0.000 1.062 574 S CB -0.233 62.971 63.200 0.008 0.000 0.931 574 S HN 0.373 nan 8.310 nan 0.000 0.440 575 N N 1.265 119.831 118.700 -0.224 0.000 2.104 575 N HA -0.041 4.683 4.740 -0.027 0.000 0.190 575 N C 1.779 177.003 175.510 -0.476 0.000 1.024 575 N CA 1.537 54.356 53.050 -0.384 0.000 0.853 575 N CB -0.638 37.414 38.487 -0.726 0.000 1.008 575 N HN 0.482 nan 8.380 nan 0.000 0.424 576 I N 0.860 121.100 120.570 -0.549 0.000 2.179 576 I HA -0.225 3.929 4.170 -0.027 0.000 0.242 576 I C 2.089 178.167 176.117 -0.064 0.000 1.088 576 I CA 0.803 61.927 61.300 -0.294 0.000 1.357 576 I CB -0.258 37.610 38.000 -0.220 0.000 1.051 576 I HN 0.038 nan 8.210 nan 0.000 0.409 577 L N -0.004 121.186 121.223 -0.055 0.000 2.079 577 L HA -0.228 4.096 4.340 -0.027 0.000 0.210 577 L C 2.625 179.518 176.870 0.038 0.000 1.081 577 L CA 1.580 56.428 54.840 0.013 0.000 0.752 577 L CB -0.924 41.132 42.059 -0.006 0.000 0.896 577 L HN 0.283 nan 8.230 nan 0.000 0.433 578 T N -0.714 113.847 114.554 0.013 0.000 2.708 578 T HA -0.164 4.170 4.350 -0.027 0.000 0.266 578 T C 1.976 176.743 174.700 0.112 0.000 1.037 578 T CA 1.554 63.684 62.100 0.050 0.000 1.146 578 T CB -0.286 68.589 68.868 0.012 0.000 0.865 578 T HN 0.080 nan 8.240 nan 0.000 0.435 579 V N 1.650 121.644 119.914 0.133 0.000 2.343 579 V HA -0.107 3.996 4.120 -0.027 0.000 0.247 579 V C 2.420 178.606 176.094 0.153 0.000 1.051 579 V CA 1.242 63.650 62.300 0.180 0.000 1.036 579 V CB -0.796 31.197 31.823 0.283 0.000 0.654 579 V HN 0.303 nan 8.190 nan 0.000 0.451 580 L N 1.145 122.448 121.223 0.133 0.000 2.042 580 L HA -0.104 4.220 4.340 -0.027 0.000 0.210 580 L C 2.469 179.405 176.870 0.111 0.000 1.076 580 L CA 2.356 57.271 54.840 0.124 0.000 0.749 580 L CB -1.118 41.021 42.059 0.133 0.000 0.893 580 L HN 0.227 nan 8.230 nan 0.000 0.432 581 A N -0.479 122.405 122.820 0.106 0.000 1.908 581 A HA -0.139 4.165 4.320 -0.027 0.000 0.218 581 A C 2.468 180.094 177.584 0.070 0.000 1.181 581 A CA 2.018 54.099 52.037 0.072 0.000 0.627 581 A CB -1.215 17.889 19.000 0.173 0.000 0.818 581 A HN 0.589 nan 8.150 nan 0.000 0.445 582 A N -0.644 122.247 122.820 0.118 0.000 1.902 582 A HA -0.001 4.303 4.320 -0.027 0.000 0.217 582 A C 2.249 179.882 177.584 0.082 0.000 1.181 582 A CA 1.797 53.898 52.037 0.106 0.000 0.623 582 A CB -0.954 18.125 19.000 0.132 0.000 0.818 582 A HN 0.385 nan 8.150 nan 0.000 0.443 583 V N 0.280 120.250 119.914 0.092 0.000 2.255 583 V HA -0.302 3.801 4.120 -0.027 0.000 0.247 583 V C 2.438 178.565 176.094 0.055 0.000 1.051 583 V CA 2.207 64.557 62.300 0.083 0.000 1.018 583 V CB -0.733 31.147 31.823 0.095 0.000 0.641 583 V HN 0.595 nan 8.190 nan 0.000 0.445 584 I N -0.601 119.997 120.570 0.046 0.000 2.194 584 I HA -0.312 3.842 4.170 -0.027 0.000 0.246 584 I C 2.754 178.870 176.117 -0.002 0.000 1.093 584 I CA 1.818 63.132 61.300 0.022 0.000 1.355 584 I CB -0.443 37.567 38.000 0.016 0.000 1.046 584 I HN 0.213 nan 8.210 nan 0.000 0.413 585 R N 0.423 120.916 120.500 -0.012 0.000 2.073 585 R HA -0.163 4.161 4.340 -0.027 0.000 0.229 585 R C 2.338 178.631 176.300 -0.012 0.000 1.120 585 R CA 1.171 57.253 56.100 -0.030 0.000 0.967 585 R CB -0.212 30.064 30.300 -0.040 0.000 0.862 585 R HN 0.088 nan 8.270 nan 0.000 0.436 586 K N 0.966 121.373 120.400 0.011 0.000 2.097 586 K HA -0.050 4.253 4.320 -0.027 0.000 0.205 586 K C 0.239 176.846 176.600 0.011 0.000 1.050 586 K CA 1.376 57.672 56.287 0.015 0.000 0.938 586 K CB 0.282 32.807 32.500 0.042 0.000 0.718 586 K HN 0.143 nan 8.250 nan 0.000 0.442 587 S N -0.377 115.333 115.700 0.017 0.000 2.158 587 S HA 0.406 4.860 4.470 -0.027 0.000 0.160 587 S C -2.589 172.019 174.600 0.012 0.000 1.693 587 S CA -1.283 56.926 58.200 0.015 0.000 1.251 587 S CB 1.350 64.566 63.200 0.026 0.000 1.153 587 S HN -0.026 nan 8.310 nan 0.000 0.439 588 P HA 0.135 nan 4.420 nan 0.000 0.263 588 P C 0.747 178.054 177.300 0.012 0.000 1.386 588 P CA 0.200 63.303 63.100 0.006 0.000 0.797 588 P CB -0.115 31.582 31.700 -0.005 0.000 1.381 589 S N -2.179 113.528 115.700 0.012 0.000 2.456 589 S HA 0.025 4.479 4.470 -0.027 0.000 0.224 589 S C 1.570 176.180 174.600 0.016 0.000 1.035 589 S CA 0.396 58.603 58.200 0.012 0.000 0.940 589 S CB -0.264 62.940 63.200 0.007 0.000 0.799 589 S HN 0.095 nan 8.310 nan 0.000 0.508 590 S N 0.899 116.610 115.700 0.019 0.000 2.540 590 S HA 0.270 4.724 4.470 -0.027 0.000 0.218 590 S C 1.380 175.993 174.600 0.021 0.000 0.977 590 S CA -0.113 58.099 58.200 0.020 0.000 0.918 590 S CB 0.329 63.542 63.200 0.023 0.000 0.806 590 S HN 0.250 nan 8.310 nan 0.000 0.496 591 V N 2.649 122.578 119.914 0.025 0.000 2.599 591 V HA -0.055 4.049 4.120 -0.027 0.000 0.245 591 V C 2.521 178.639 176.094 0.039 0.000 1.046 591 V CA 1.211 63.528 62.300 0.029 0.000 1.065 591 V CB -0.239 31.603 31.823 0.032 0.000 0.703 591 V HN 0.478 nan 8.190 nan 0.000 0.464 592 E N 1.137 121.365 120.200 0.046 0.000 2.204 592 E HA -0.155 4.179 4.350 -0.027 0.000 0.194 592 E C -0.156 176.476 176.600 0.052 0.000 0.989 592 E CA 1.327 57.764 56.400 0.062 0.000 0.824 592 E CB -1.986 27.748 29.700 0.058 0.000 0.756 592 E HN 0.576 nan 8.360 nan 0.000 0.477 593 P HA -0.055 nan 4.420 nan 0.000 0.215 593 P C 1.865 179.177 177.300 0.020 0.000 1.157 593 P CA 1.342 64.458 63.100 0.026 0.000 0.856 593 P CB -0.247 31.463 31.700 0.017 0.000 0.786 594 V N -2.945 116.973 119.914 0.007 0.000 3.510 594 V HA 0.209 4.313 4.120 -0.027 0.000 0.270 594 V C 2.342 178.414 176.094 -0.037 0.000 1.201 594 V CA 0.834 63.122 62.300 -0.020 0.000 1.166 594 V CB -1.775 30.027 31.823 -0.034 0.000 0.825 594 V HN 0.005 nan 8.190 nan 0.000 0.484 595 A N 0.825 123.652 122.820 0.012 0.000 1.933 595 A HA -0.195 4.109 4.320 -0.027 0.000 0.218 595 A C 1.946 179.520 177.584 -0.017 0.000 1.175 595 A CA 2.071 54.120 52.037 0.020 0.000 0.628 595 A CB -0.612 18.479 19.000 0.152 0.000 0.814 595 A HN 0.531 nan 8.150 nan 0.000 0.444 596 D N -0.950 119.499 120.400 0.082 0.000 2.144 596 D HA -0.117 4.506 4.640 -0.027 0.000 0.200 596 D C 1.900 178.180 176.300 -0.033 0.000 0.978 596 D CA 1.180 55.245 54.000 0.108 0.000 0.833 596 D CB -0.297 40.578 40.800 0.126 0.000 0.961 596 D HN 0.411 nan 8.370 nan 0.000 0.470 597 M N 0.315 119.870 119.600 -0.075 0.000 2.156 597 M HA -0.091 4.373 4.480 -0.027 0.000 0.264 597 M C 1.933 178.071 176.300 -0.270 0.000 1.067 597 M CA 1.050 56.273 55.300 -0.128 0.000 1.131 597 M CB -0.433 32.108 32.600 -0.097 0.000 1.368 597 M HN -0.009 nan 8.290 nan 0.000 0.416 598 L N 0.083 121.094 121.223 -0.353 0.000 2.017 598 L HA -0.249 4.074 4.340 -0.027 0.000 0.208 598 L C 2.635 178.892 176.870 -1.021 0.000 1.073 598 L CA 1.055 55.482 54.840 -0.688 0.000 0.745 598 L CB -0.692 41.054 42.059 -0.521 0.000 0.894 598 L HN 0.304 nan 8.230 nan 0.000 0.432 599 M N -0.471 118.727 119.600 -0.670 0.000 2.296 599 M HA -0.075 4.389 4.480 -0.027 0.000 0.265 599 M C 2.306 178.292 176.300 -0.523 0.000 1.064 599 M CA 1.516 56.395 55.300 -0.701 0.000 1.109 599 M CB -1.586 30.480 32.600 -0.892 0.000 1.396 599 M HN 0.294 nan 8.290 nan 0.000 0.430 600 G N 0.089 108.730 108.800 -0.265 0.000 2.408 600 G HA2 -0.129 3.814 3.960 -0.027 0.000 0.217 600 G HA3 -0.129 3.814 3.960 -0.027 0.000 0.217 600 G C 1.668 176.510 174.900 -0.096 0.000 1.150 600 G CA 0.345 45.414 45.100 -0.052 0.000 0.776 600 G HN 0.409 nan 8.290 nan 0.000 0.542 601 L N -0.597 120.463 121.223 -0.271 0.000 2.056 601 L HA 0.048 4.371 4.340 -0.027 0.000 0.207 601 L C 2.677 179.458 176.870 -0.148 0.000 1.078 601 L CA 0.571 55.269 54.840 -0.237 0.000 0.749 601 L CB -0.473 41.375 42.059 -0.351 0.000 0.901 601 L HN 0.060 nan 8.230 nan 0.000 0.433 602 F N -0.265 119.532 119.950 -0.255 0.000 2.134 602 F HA -0.168 4.345 4.527 -0.023 0.000 0.299 602 F C 2.321 177.956 175.800 -0.276 0.000 1.097 602 F CA 0.894 58.698 58.000 -0.326 0.000 1.264 602 F CB -1.160 37.523 39.000 -0.528 0.000 1.001 602 F HN -0.079 nan 8.300 nan 0.000 0.479 603 F N 0.417 120.360 119.950 -0.012 0.000 2.134 603 F HA -0.129 4.382 4.527 -0.027 0.000 0.299 603 F C 2.478 178.252 175.800 -0.044 0.000 1.097 603 F CA 1.028 58.961 58.000 -0.111 0.000 1.264 603 F CB -1.234 37.755 39.000 -0.018 0.000 1.001 603 F HN -0.127 nan 8.300 nan 0.000 0.479 604 R N 0.046 120.653 120.500 0.180 0.000 2.105 604 R HA -0.160 4.164 4.340 -0.027 0.000 0.239 604 R C 2.197 178.553 176.300 0.094 0.000 1.135 604 R CA 1.257 57.427 56.100 0.117 0.000 0.967 604 R CB -0.669 29.671 30.300 0.067 0.000 0.861 604 R HN 0.306 nan 8.270 nan 0.000 0.442 605 L N 0.318 121.591 121.223 0.083 0.000 2.201 605 L HA -0.143 4.181 4.340 -0.027 0.000 0.212 605 L C 2.029 178.948 176.870 0.083 0.000 1.105 605 L CA 0.877 55.765 54.840 0.081 0.000 0.775 605 L CB -0.151 41.967 42.059 0.099 0.000 0.913 605 L HN 0.221 nan 8.230 nan 0.000 0.440 606 L N -1.010 120.252 121.223 0.065 0.000 2.313 606 L HA -0.100 4.224 4.340 -0.027 0.000 0.214 606 L C 2.112 179.081 176.870 0.165 0.000 1.119 606 L CA 0.749 55.628 54.840 0.065 0.000 0.809 606 L CB -0.168 41.778 42.059 -0.189 0.000 0.933 606 L HN 0.237 nan 8.230 nan 0.000 0.449 607 E N -0.117 120.184 120.200 0.167 0.000 2.250 607 E HA -0.066 4.268 4.350 -0.027 0.000 0.192 607 E C 0.778 177.449 176.600 0.119 0.000 0.986 607 E CA -0.096 56.409 56.400 0.176 0.000 0.849 607 E CB 0.247 30.048 29.700 0.169 0.000 0.797 607 E HN 0.149 nan 8.360 nan 0.000 0.482 608 K N 2.188 122.647 120.400 0.099 0.000 2.511 608 K HA -0.156 4.148 4.320 -0.027 0.000 0.277 608 K C 0.691 177.337 176.600 0.076 0.000 1.025 608 K CA 0.432 56.765 56.287 0.076 0.000 1.112 608 K CB 0.496 33.037 32.500 0.069 0.000 0.859 608 K HN -0.100 nan 8.250 nan 0.000 0.485 609 K N 3.229 123.664 120.400 0.060 0.000 2.074 609 K HA -0.193 4.111 4.320 -0.027 0.000 0.209 609 K C -0.056 176.577 176.600 0.055 0.000 1.048 609 K CA 2.327 58.646 56.287 0.053 0.000 0.926 609 K CB 0.083 32.606 32.500 0.037 0.000 0.713 609 K HN 0.648 nan 8.250 nan 0.000 0.444 610 D N -0.373 120.059 120.400 0.054 0.000 3.072 610 D HA 0.010 4.634 4.640 -0.027 0.000 0.250 610 D C 0.686 177.044 176.300 0.096 0.000 1.304 610 D CA -0.103 53.935 54.000 0.063 0.000 0.861 610 D CB 0.712 41.535 40.800 0.038 0.000 1.062 610 D HN 0.176 nan 8.370 nan 0.000 0.481 611 S N -0.430 115.326 115.700 0.093 0.000 2.453 611 S HA -0.127 4.326 4.470 -0.027 0.000 0.231 611 S C 2.239 176.895 174.600 0.093 0.000 1.005 611 S CA 0.328 58.588 58.200 0.100 0.000 0.949 611 S CB -0.021 63.244 63.200 0.107 0.000 0.774 611 S HN 0.339 nan 8.310 nan 0.000 0.510 612 A N 1.684 124.557 122.820 0.090 0.000 1.927 612 A HA -0.111 4.192 4.320 -0.027 0.000 0.220 612 A C 1.920 179.555 177.584 0.086 0.000 1.185 612 A CA 1.819 53.898 52.037 0.070 0.000 0.639 612 A CB -1.165 17.879 19.000 0.073 0.000 0.820 612 A HN 0.581 nan 8.150 nan 0.000 0.451 613 F N 0.633 120.576 119.950 -0.010 0.000 2.206 613 F HA -0.027 4.487 4.527 -0.023 0.000 0.298 613 F C 1.814 177.602 175.800 -0.019 0.000 1.090 613 F CA 1.636 59.626 58.000 -0.017 0.000 1.323 613 F CB -0.037 38.954 39.000 -0.014 0.000 1.028 613 F HN 0.327 nan 8.300 nan 0.000 0.492 614 I N -2.072 118.537 120.570 0.065 0.000 3.941 614 I HA 0.111 4.265 4.170 -0.027 0.000 0.321 614 I C 1.813 177.918 176.117 -0.020 0.000 1.284 614 I CA 0.473 61.767 61.300 -0.010 0.000 1.226 614 I CB -0.758 37.288 38.000 0.077 0.000 1.045 614 I HN 0.151 nan 8.210 nan 0.000 0.420 615 E N 1.720 121.919 120.200 -0.003 0.000 2.160 615 E HA -0.292 4.042 4.350 -0.027 0.000 0.195 615 E C 1.193 177.796 176.600 0.005 0.000 0.991 615 E CA 1.839 58.257 56.400 0.031 0.000 0.810 615 E CB -0.437 29.263 29.700 0.001 0.000 0.742 615 E HN 0.516 nan 8.360 nan 0.000 0.466 616 D N 1.433 121.776 120.400 -0.095 0.000 2.078 616 D HA -0.166 4.458 4.640 -0.027 0.000 0.193 616 D C 1.626 177.923 176.300 -0.004 0.000 0.990 616 D CA 1.616 55.561 54.000 -0.093 0.000 0.827 616 D CB -0.182 40.519 40.800 -0.164 0.000 0.975 616 D HN 0.147 nan 8.370 nan 0.000 0.451 617 D N -0.342 120.019 120.400 -0.064 0.000 2.149 617 D HA -0.121 4.503 4.640 -0.027 0.000 0.198 617 D C 2.238 178.522 176.300 -0.026 0.000 0.990 617 D CA 0.605 54.579 54.000 -0.043 0.000 0.839 617 D CB -0.229 40.521 40.800 -0.083 0.000 0.948 617 D HN 0.167 nan 8.370 nan 0.000 0.460 618 V N 0.604 120.498 119.914 -0.033 0.000 2.358 618 V HA -0.198 3.906 4.120 -0.027 0.000 0.246 618 V C 2.205 178.153 176.094 -0.243 0.000 1.047 618 V CA 1.071 63.266 62.300 -0.176 0.000 1.035 618 V CB -0.589 31.194 31.823 -0.067 0.000 0.658 618 V HN 0.004 nan 8.190 nan 0.000 0.452 619 F N -0.570 119.260 119.950 -0.199 0.000 2.126 619 F HA -0.181 4.327 4.527 -0.032 0.000 0.299 619 F C 2.325 178.045 175.800 -0.132 0.000 1.096 619 F CA 1.710 59.623 58.000 -0.145 0.000 1.255 619 F CB -0.681 38.314 39.000 -0.008 0.000 0.997 619 F HN 0.154 nan 8.300 nan 0.000 0.479 620 Y N -0.026 120.258 120.300 -0.026 0.000 2.242 620 Y HA -0.109 4.419 4.550 -0.036 0.000 0.291 620 Y C 2.295 178.084 175.900 -0.186 0.000 1.137 620 Y CA 1.162 59.218 58.100 -0.073 0.000 1.181 620 Y CB -0.545 37.881 38.460 -0.056 0.000 0.989 620 Y HN -0.010 nan 8.280 nan 0.000 0.527 621 A N -0.148 122.514 122.820 -0.264 0.000 1.929 621 A HA -0.089 4.215 4.320 -0.027 0.000 0.216 621 A C 2.227 179.443 177.584 -0.613 0.000 1.176 621 A CA 1.528 53.292 52.037 -0.455 0.000 0.628 621 A CB -0.928 17.711 19.000 -0.601 0.000 0.816 621 A HN 0.502 nan 8.150 nan 0.000 0.444 622 I N -0.082 120.011 120.570 -0.795 0.000 2.179 622 I HA -0.252 3.902 4.170 -0.027 0.000 0.242 622 I C 2.713 178.560 176.117 -0.449 0.000 1.088 622 I CA 1.452 62.347 61.300 -0.674 0.000 1.357 622 I CB -0.355 37.073 38.000 -0.954 0.000 1.051 622 I HN 0.228 nan 8.210 nan 0.000 0.409 623 S N 0.877 116.384 115.700 -0.322 0.000 2.359 623 S HA -0.275 4.179 4.470 -0.027 0.000 0.223 623 S C 2.279 176.673 174.600 -0.344 0.000 1.039 623 S CA 1.611 59.690 58.200 -0.201 0.000 1.042 623 S CB -0.554 62.548 63.200 -0.164 0.000 0.915 623 S HN 0.575 nan 8.310 nan 0.000 0.439 624 A N 1.067 123.658 122.820 -0.382 0.000 1.908 624 A HA -0.086 4.218 4.320 -0.027 0.000 0.218 624 A C 2.131 179.587 177.584 -0.213 0.000 1.181 624 A CA 1.450 53.306 52.037 -0.302 0.000 0.627 624 A CB -0.721 18.111 19.000 -0.279 0.000 0.818 624 A HN 0.391 nan 8.150 nan 0.000 0.445 625 L N -0.361 120.744 121.223 -0.196 0.000 2.046 625 L HA -0.082 4.242 4.340 -0.027 0.000 0.208 625 L C 2.812 179.588 176.870 -0.156 0.000 1.077 625 L CA 2.014 56.801 54.840 -0.087 0.000 0.747 625 L CB -0.917 41.162 42.059 0.033 0.000 0.896 625 L HN 0.387 nan 8.230 nan 0.000 0.432 626 A N -0.479 122.032 122.820 -0.514 0.000 1.859 626 A HA -0.256 4.048 4.320 -0.027 0.000 0.217 626 A C 2.462 179.848 177.584 -0.330 0.000 1.198 626 A CA 2.388 53.964 52.037 -0.768 0.000 0.629 626 A CB -1.391 16.940 19.000 -1.116 0.000 0.830 626 A HN 0.540 nan 8.150 nan 0.000 0.446 627 A N -0.929 121.714 122.820 -0.295 0.000 1.986 627 A HA -0.121 4.183 4.320 -0.027 0.000 0.220 627 A C 2.405 179.924 177.584 -0.108 0.000 1.171 627 A CA 2.303 54.224 52.037 -0.194 0.000 0.640 627 A CB -0.781 18.102 19.000 -0.196 0.000 0.811 627 A HN 0.486 nan 8.150 nan 0.000 0.451 628 S N -0.815 114.836 115.700 -0.083 0.000 2.414 628 S HA 0.078 4.532 4.470 -0.027 0.000 0.227 628 S C 1.668 176.280 174.600 0.019 0.000 1.022 628 S CA 1.176 59.360 58.200 -0.026 0.000 0.958 628 S CB -0.216 62.978 63.200 -0.011 0.000 0.797 628 S HN 0.530 nan 8.310 nan 0.000 0.493 629 L N 0.290 121.547 121.223 0.057 0.000 2.354 629 L HA 0.253 4.577 4.340 -0.027 0.000 0.212 629 L C 1.937 178.873 176.870 0.110 0.000 1.091 629 L CA 0.434 55.350 54.840 0.127 0.000 0.828 629 L CB -1.001 41.219 42.059 0.268 0.000 0.973 629 L HN 0.465 nan 8.230 nan 0.000 0.461 630 G N 1.116 109.961 108.800 0.074 0.000 2.602 630 G HA2 -0.447 3.497 3.960 -0.027 0.000 0.310 630 G HA3 -0.447 3.497 3.960 -0.027 0.000 0.310 630 G C 0.972 175.957 174.900 0.141 0.000 1.183 630 G CA 0.819 45.960 45.100 0.069 0.000 0.979 630 G HN 0.238 nan 8.290 nan 0.000 0.545 631 K N 1.126 121.600 120.400 0.123 0.000 2.097 631 K HA 0.032 4.336 4.320 -0.027 0.000 0.206 631 K C 2.750 179.437 176.600 0.145 0.000 1.049 631 K CA 1.273 57.642 56.287 0.138 0.000 0.933 631 K CB -0.670 31.889 32.500 0.098 0.000 0.717 631 K HN 0.592 nan 8.250 nan 0.000 0.442 632 G N 0.231 109.111 108.800 0.133 0.000 2.527 632 G HA2 -0.253 3.691 3.960 -0.027 0.000 0.219 632 G HA3 -0.253 3.691 3.960 -0.027 0.000 0.219 632 G C 1.154 176.155 174.900 0.169 0.000 1.117 632 G CA 0.297 45.467 45.100 0.117 0.000 0.759 632 G HN 0.243 nan 8.290 nan 0.000 0.556 633 F N 0.941 120.963 119.950 0.121 0.000 2.416 633 F HA 0.184 4.701 4.527 -0.018 0.000 0.296 633 F C 2.457 178.365 175.800 0.180 0.000 1.099 633 F CA 0.724 58.863 58.000 0.232 0.000 1.427 633 F CB 0.130 39.256 39.000 0.210 0.000 1.079 633 F HN 0.241 nan 8.300 nan 0.000 0.536 634 E N 0.821 121.126 120.200 0.175 0.000 2.187 634 E HA -0.323 4.011 4.350 -0.027 0.000 0.199 634 E C 2.009 178.581 176.600 -0.047 0.000 1.004 634 E CA 1.815 58.286 56.400 0.119 0.000 0.813 634 E CB -0.311 29.498 29.700 0.181 0.000 0.736 634 E HN 0.573 nan 8.360 nan 0.000 0.468 635 K N 0.164 120.428 120.400 -0.226 0.000 2.211 635 K HA -0.183 4.120 4.320 -0.027 0.000 0.204 635 K C 1.281 177.674 176.600 -0.344 0.000 1.047 635 K CA 1.512 57.603 56.287 -0.326 0.000 0.935 635 K CB -0.282 31.938 32.500 -0.467 0.000 0.728 635 K HN 0.191 nan 8.250 nan 0.000 0.452 636 Y N 1.154 121.313 120.300 -0.235 0.000 2.523 636 Y HA 0.190 4.723 4.550 -0.028 0.000 0.279 636 Y C 1.845 177.721 175.900 -0.040 0.000 1.139 636 Y CA -0.142 57.832 58.100 -0.210 0.000 1.296 636 Y CB -0.088 38.027 38.460 -0.575 0.000 1.045 636 Y HN -0.078 nan 8.280 nan 0.000 0.538 637 L N 0.169 121.442 121.223 0.084 0.000 2.131 637 L HA -0.214 4.110 4.340 -0.027 0.000 0.210 637 L C 2.439 179.416 176.870 0.179 0.000 1.092 637 L CA 1.820 56.787 54.840 0.211 0.000 0.759 637 L CB -0.210 41.919 42.059 0.118 0.000 0.903 637 L HN 0.309 nan 8.230 nan 0.000 0.435 638 E N -0.265 120.004 120.200 0.115 0.000 2.158 638 E HA -0.154 4.180 4.350 -0.027 0.000 0.191 638 E C 1.873 178.500 176.600 0.046 0.000 0.982 638 E CA 1.484 57.928 56.400 0.072 0.000 0.823 638 E CB 0.186 29.917 29.700 0.051 0.000 0.766 638 E HN 0.465 nan 8.360 nan 0.000 0.468 639 T N -0.870 113.721 114.554 0.062 0.000 2.978 639 T HA -0.056 4.278 4.350 -0.027 0.000 0.262 639 T C 1.513 176.226 174.700 0.023 0.000 1.063 639 T CA 0.442 62.517 62.100 -0.040 0.000 1.140 639 T CB -0.327 68.458 68.868 -0.139 0.000 0.886 639 T HN 0.179 nan 8.240 nan 0.000 0.470 640 F N 2.254 122.276 119.950 0.120 0.000 2.270 640 F HA 0.209 4.717 4.527 -0.031 0.000 0.295 640 F C 2.540 178.460 175.800 0.200 0.000 1.087 640 F CA 0.384 58.578 58.000 0.323 0.000 1.365 640 F CB -0.740 38.474 39.000 0.357 0.000 1.056 640 F HN 0.169 nan 8.300 nan 0.000 0.506 641 S N 0.884 116.564 115.700 -0.033 0.000 2.381 641 S HA -0.195 4.259 4.470 -0.027 0.000 0.230 641 S C -0.315 174.169 174.600 -0.193 0.000 1.052 641 S CA 2.218 60.327 58.200 -0.152 0.000 1.068 641 S CB -1.401 61.784 63.200 -0.024 0.000 0.918 641 S HN 0.263 nan 8.310 nan 0.000 0.448 642 P HA -0.084 nan 4.420 nan 0.000 0.216 642 P C 0.701 177.858 177.300 -0.239 0.000 1.153 642 P CA 1.323 64.287 63.100 -0.227 0.000 0.858 642 P CB -0.199 31.301 31.700 -0.333 0.000 0.789 643 Y N -1.112 119.099 120.300 -0.148 0.000 2.200 643 Y HA -0.102 4.431 4.550 -0.028 0.000 0.290 643 Y C 2.338 178.183 175.900 -0.092 0.000 1.137 643 Y CA 0.744 58.810 58.100 -0.055 0.000 1.163 643 Y CB -1.373 37.138 38.460 0.085 0.000 0.988 643 Y HN -0.135 nan 8.280 nan 0.000 0.518 644 L N 0.065 121.090 121.223 -0.330 0.000 2.017 644 L HA -0.182 4.142 4.340 -0.027 0.000 0.208 644 L C 1.908 178.760 176.870 -0.031 0.000 1.073 644 L CA 1.770 56.436 54.840 -0.291 0.000 0.745 644 L CB -0.807 40.843 42.059 -0.681 0.000 0.894 644 L HN 0.197 nan 8.230 nan 0.000 0.432 645 L N -0.721 120.462 121.223 -0.066 0.000 2.141 645 L HA -0.149 4.175 4.340 -0.027 0.000 0.209 645 L C 2.534 179.402 176.870 -0.004 0.000 1.094 645 L CA 1.075 55.904 54.840 -0.017 0.000 0.763 645 L CB -0.782 41.261 42.059 -0.027 0.000 0.908 645 L HN 0.263 nan 8.230 nan 0.000 0.437 646 K N 1.162 121.559 120.400 -0.006 0.000 2.025 646 K HA -0.061 4.243 4.320 -0.027 0.000 0.207 646 K C 2.091 178.696 176.600 0.007 0.000 1.049 646 K CA 1.614 57.903 56.287 0.003 0.000 0.933 646 K CB -0.382 32.122 32.500 0.006 0.000 0.714 646 K HN 0.176 nan 8.250 nan 0.000 0.438 647 A N 0.672 123.506 122.820 0.024 0.000 1.898 647 A HA -0.065 4.239 4.320 -0.027 0.000 0.216 647 A C 2.267 179.822 177.584 -0.049 0.000 1.181 647 A CA 1.488 53.483 52.037 -0.070 0.000 0.620 647 A CB -0.742 18.117 19.000 -0.235 0.000 0.819 647 A HN 0.308 nan 8.150 nan 0.000 0.442 648 L N -0.542 120.691 121.223 0.017 0.000 2.043 648 L HA -0.252 4.072 4.340 -0.027 0.000 0.212 648 L C 1.910 178.783 176.870 0.006 0.000 1.075 648 L CA 1.865 56.721 54.840 0.027 0.000 0.752 648 L CB -0.519 41.573 42.059 0.056 0.000 0.891 648 L HN 0.468 nan 8.230 nan 0.000 0.432 649 N N -1.116 117.586 118.700 0.003 0.000 2.461 649 N HA -0.048 4.675 4.740 -0.027 0.000 0.188 649 N C 0.320 175.824 175.510 -0.010 0.000 1.134 649 N CA -0.038 53.012 53.050 0.000 0.000 0.878 649 N CB 0.187 38.676 38.487 0.003 0.000 0.972 649 N HN 0.321 nan 8.380 nan 0.000 0.456 650 Q N 1.228 121.014 119.800 -0.023 0.000 3.184 650 Q HA 0.046 4.370 4.340 -0.027 0.000 0.288 650 Q C 1.111 177.091 176.000 -0.033 0.000 1.412 650 Q CA -0.259 55.525 55.803 -0.031 0.000 0.991 650 Q CB 0.289 28.997 28.738 -0.049 0.000 1.688 650 Q HN 0.328 nan 8.270 nan 0.000 0.554 651 V N -1.905 117.996 119.914 -0.021 0.000 2.913 651 V HA -0.167 3.937 4.120 -0.027 0.000 0.260 651 V C 0.841 176.921 176.094 -0.023 0.000 1.098 651 V CA 1.615 63.905 62.300 -0.018 0.000 1.121 651 V CB -0.307 31.511 31.823 -0.007 0.000 0.714 651 V HN 0.496 nan 8.190 nan 0.000 0.487 652 D N -0.513 119.872 120.400 -0.025 0.000 2.388 652 D HA 0.268 4.892 4.640 -0.027 0.000 0.221 652 D C 0.559 176.839 176.300 -0.034 0.000 1.133 652 D CA 0.161 54.144 54.000 -0.028 0.000 0.831 652 D CB 0.282 41.069 40.800 -0.022 0.000 0.962 652 D HN 0.403 nan 8.370 nan 0.000 0.502 653 S N 0.524 116.198 115.700 -0.043 0.000 2.526 653 S HA 0.405 4.859 4.470 -0.027 0.000 0.293 653 S C -2.114 172.443 174.600 -0.071 0.000 1.092 653 S CA -1.584 56.583 58.200 -0.055 0.000 0.980 653 S CB 1.881 65.044 63.200 -0.061 0.000 1.048 653 S HN -0.170 nan 8.310 nan 0.000 0.483 654 P HA -0.029 nan 4.420 nan 0.000 0.228 654 P C 1.319 178.550 177.300 -0.114 0.000 1.151 654 P CA 0.468 63.517 63.100 -0.084 0.000 0.770 654 P CB 0.091 31.740 31.700 -0.085 0.000 0.786 655 V N 1.114 120.931 119.914 -0.162 0.000 2.626 655 V HA -0.182 3.922 4.120 -0.027 0.000 0.252 655 V C 2.488 178.433 176.094 -0.248 0.000 1.067 655 V CA 2.466 64.600 62.300 -0.278 0.000 1.081 655 V CB -1.108 30.480 31.823 -0.390 0.000 0.686 655 V HN 0.258 nan 8.190 nan 0.000 0.468 656 S N -0.256 115.360 115.700 -0.141 0.000 2.402 656 S HA -0.123 4.331 4.470 -0.027 0.000 0.229 656 S C 1.800 176.385 174.600 -0.026 0.000 1.021 656 S CA 1.522 59.678 58.200 -0.074 0.000 0.974 656 S CB -0.517 62.654 63.200 -0.048 0.000 0.800 656 S HN 0.485 nan 8.310 nan 0.000 0.484 657 I N 2.618 123.170 120.570 -0.030 0.000 2.353 657 I HA -0.077 4.076 4.170 -0.027 0.000 0.248 657 I C 2.616 178.754 176.117 0.035 0.000 1.119 657 I CA 1.342 62.640 61.300 -0.002 0.000 1.417 657 I CB -0.903 37.091 38.000 -0.011 0.000 1.078 657 I HN 0.306 nan 8.210 nan 0.000 0.421 658 T N 0.295 114.866 114.554 0.028 0.000 2.857 658 T HA -0.072 4.262 4.350 -0.027 0.000 0.266 658 T C 2.076 176.928 174.700 0.253 0.000 1.048 658 T CA 1.220 63.393 62.100 0.121 0.000 1.139 658 T CB -0.411 68.504 68.868 0.079 0.000 0.874 658 T HN 0.401 nan 8.240 nan 0.000 0.455 659 A N 1.201 124.148 122.820 0.213 0.000 1.898 659 A HA -0.012 4.292 4.320 -0.027 0.000 0.216 659 A C 2.574 180.348 177.584 0.317 0.000 1.181 659 A CA 1.104 53.376 52.037 0.393 0.000 0.620 659 A CB -1.063 18.091 19.000 0.257 0.000 0.819 659 A HN 0.331 nan 8.150 nan 0.000 0.442 660 V N 0.103 120.115 119.914 0.164 0.000 2.324 660 V HA -0.241 3.863 4.120 -0.027 0.000 0.250 660 V C 2.768 178.916 176.094 0.090 0.000 1.060 660 V CA 2.047 64.402 62.300 0.092 0.000 1.042 660 V CB -1.399 30.430 31.823 0.011 0.000 0.650 660 V HN 0.630 nan 8.190 nan 0.000 0.450 661 G N -1.391 107.479 108.800 0.118 0.000 2.470 661 G HA2 -0.298 3.646 3.960 -0.027 0.000 0.220 661 G HA3 -0.298 3.646 3.960 -0.027 0.000 0.220 661 G C 1.472 176.423 174.900 0.085 0.000 1.121 661 G CA 0.836 45.988 45.100 0.087 0.000 0.766 661 G HN 0.542 nan 8.290 nan 0.000 0.553 662 F N 1.109 121.089 119.950 0.050 0.000 2.187 662 F HA 0.175 4.690 4.527 -0.021 0.000 0.295 662 F C 2.375 178.170 175.800 -0.008 0.000 1.091 662 F CA 0.591 58.601 58.000 0.016 0.000 1.308 662 F CB -0.057 39.020 39.000 0.129 0.000 1.030 662 F HN 0.086 nan 8.300 nan 0.000 0.487 663 I N 0.569 121.126 120.570 -0.021 0.000 2.226 663 I HA -0.309 3.845 4.170 -0.027 0.000 0.245 663 I C 2.715 178.663 176.117 -0.283 0.000 1.100 663 I CA 1.248 62.486 61.300 -0.105 0.000 1.374 663 I CB -1.035 37.014 38.000 0.083 0.000 1.057 663 I HN 0.237 nan 8.210 nan 0.000 0.413 664 A N 0.324 123.017 122.820 -0.212 0.000 1.940 664 A HA -0.252 4.052 4.320 -0.027 0.000 0.219 664 A C 2.031 179.431 177.584 -0.306 0.000 1.176 664 A CA 2.063 53.956 52.037 -0.239 0.000 0.631 664 A CB -0.552 18.360 19.000 -0.148 0.000 0.814 664 A HN 0.368 nan 8.150 nan 0.000 0.446 665 D N 0.034 120.226 120.400 -0.345 0.000 2.097 665 D HA -0.111 4.513 4.640 -0.027 0.000 0.197 665 D C 1.996 178.025 176.300 -0.452 0.000 0.984 665 D CA 1.782 55.552 54.000 -0.384 0.000 0.826 665 D CB -0.275 40.284 40.800 -0.401 0.000 0.973 665 D HN 0.695 nan 8.370 nan 0.000 0.460 666 I N -0.208 119.998 120.570 -0.607 0.000 2.500 666 I HA -0.130 4.024 4.170 -0.027 0.000 0.252 666 I C 2.400 178.296 176.117 -0.369 0.000 1.142 666 I CA 0.995 62.025 61.300 -0.450 0.000 1.451 666 I CB -0.480 37.265 38.000 -0.424 0.000 1.093 666 I HN -0.155 nan 8.210 nan 0.000 0.430 667 S N 1.663 116.940 115.700 -0.706 0.000 2.382 667 S HA -0.175 4.279 4.470 -0.027 0.000 0.228 667 S C 1.651 175.963 174.600 -0.481 0.000 1.027 667 S CA 1.769 59.293 58.200 -1.127 0.000 0.991 667 S CB -1.125 61.227 63.200 -1.413 0.000 0.823 667 S HN 0.629 nan 8.310 nan 0.000 0.469 668 N N 1.389 119.879 118.700 -0.351 0.000 2.354 668 N HA 0.018 4.741 4.740 -0.027 0.000 0.179 668 N C 1.916 177.338 175.510 -0.146 0.000 1.021 668 N CA 1.060 53.983 53.050 -0.211 0.000 0.887 668 N CB -0.080 38.293 38.487 -0.190 0.000 0.974 668 N HN 0.706 nan 8.380 nan 0.000 0.437 669 S N 0.057 115.663 115.700 -0.157 0.000 2.439 669 S HA 0.103 4.557 4.470 -0.027 0.000 0.224 669 S C 1.619 176.211 174.600 -0.014 0.000 1.029 669 S CA 0.312 58.457 58.200 -0.092 0.000 0.946 669 S CB -0.164 62.962 63.200 -0.124 0.000 0.797 669 S HN 0.173 nan 8.310 nan 0.000 0.504 670 L N 1.988 123.226 121.223 0.024 0.000 2.463 670 L HA 0.183 4.507 4.340 -0.027 0.000 0.219 670 L C 2.350 179.295 176.870 0.126 0.000 1.088 670 L CA 0.665 55.580 54.840 0.126 0.000 0.849 670 L CB -0.682 41.533 42.059 0.260 0.000 1.012 670 L HN 0.374 nan 8.230 nan 0.000 0.468 671 E N 1.626 121.870 120.200 0.074 0.000 2.982 671 E HA -0.455 3.878 4.350 -0.027 0.000 0.237 671 E C 1.075 177.788 176.600 0.188 0.000 1.022 671 E CA 2.905 59.359 56.400 0.090 0.000 1.753 671 E CB -0.910 28.805 29.700 0.025 0.000 1.633 671 E HN 0.736 nan 8.360 nan 0.000 0.393 672 E N -0.061 120.228 120.200 0.148 0.000 2.473 672 E HA 0.046 4.380 4.350 -0.027 0.000 0.204 672 E C 0.965 177.637 176.600 0.119 0.000 0.994 672 E CA 0.415 56.895 56.400 0.134 0.000 0.945 672 E CB 0.240 29.993 29.700 0.087 0.000 0.990 672 E HN 0.257 nan 8.360 nan 0.000 0.493 673 D N 0.242 120.726 120.400 0.140 0.000 2.371 673 D HA -0.081 4.543 4.640 -0.027 0.000 0.221 673 D C 1.067 177.487 176.300 0.201 0.000 0.986 673 D CA 0.366 54.446 54.000 0.135 0.000 0.899 673 D CB -0.030 40.866 40.800 0.159 0.000 0.902 673 D HN 0.096 nan 8.370 nan 0.000 0.530 674 F N 0.960 120.984 119.950 0.123 0.000 2.367 674 F HA 0.081 4.604 4.527 -0.007 0.000 0.298 674 F C 1.976 177.849 175.800 0.122 0.000 1.094 674 F CA 0.611 58.725 58.000 0.190 0.000 1.409 674 F CB 0.122 39.205 39.000 0.137 0.000 1.064 674 F HN -0.256 nan 8.300 nan 0.000 0.528 675 R N 0.491 121.006 120.500 0.025 0.000 2.154 675 R HA -0.239 4.085 4.340 -0.027 0.000 0.248 675 R C 2.178 178.355 176.300 -0.206 0.000 1.155 675 R CA 2.085 58.154 56.100 -0.052 0.000 0.979 675 R CB -0.327 29.986 30.300 0.021 0.000 0.869 675 R HN 0.444 nan 8.270 nan 0.000 0.452 676 R N -1.498 118.798 120.500 -0.341 0.000 2.240 676 R HA -0.040 4.283 4.340 -0.027 0.000 0.203 676 R C 0.740 176.718 176.300 -0.536 0.000 1.011 676 R CA 1.089 56.928 56.100 -0.435 0.000 1.007 676 R CB -0.023 29.982 30.300 -0.491 0.000 0.911 676 R HN 0.254 nan 8.270 nan 0.000 0.468 677 Y N 0.865 120.981 120.300 -0.307 0.000 2.449 677 Y HA 0.222 4.754 4.550 -0.029 0.000 0.254 677 Y C 2.455 178.117 175.900 -0.397 0.000 1.140 677 Y CA 0.153 58.069 58.100 -0.306 0.000 1.272 677 Y CB 0.368 38.667 38.460 -0.269 0.000 1.114 677 Y HN 0.188 nan 8.280 nan 0.000 0.525 678 S N 0.166 115.606 115.700 -0.433 0.000 2.359 678 S HA -0.265 4.189 4.470 -0.027 0.000 0.224 678 S C 1.762 176.292 174.600 -0.117 0.000 1.035 678 S CA 1.796 59.807 58.200 -0.314 0.000 1.018 678 S CB -0.596 62.509 63.200 -0.159 0.000 0.876 678 S HN 0.468 nan 8.310 nan 0.000 0.448 679 D N 2.183 122.548 120.400 -0.058 0.000 2.097 679 D HA -0.006 4.618 4.640 -0.027 0.000 0.195 679 D C 2.077 178.375 176.300 -0.003 0.000 0.989 679 D CA 1.583 55.584 54.000 0.001 0.000 0.827 679 D CB -0.633 40.237 40.800 0.117 0.000 0.966 679 D HN 0.496 nan 8.370 nan 0.000 0.456 680 A N -0.017 122.812 122.820 0.016 0.000 1.933 680 A HA -0.121 4.183 4.320 -0.027 0.000 0.218 680 A C 2.177 179.793 177.584 0.053 0.000 1.175 680 A CA 1.358 53.421 52.037 0.043 0.000 0.628 680 A CB -0.483 18.554 19.000 0.062 0.000 0.814 680 A HN 0.249 nan 8.150 nan 0.000 0.444 681 M N -1.170 118.463 119.600 0.055 0.000 2.175 681 M HA -0.032 4.432 4.480 -0.027 0.000 0.264 681 M C 2.092 178.451 176.300 0.099 0.000 1.063 681 M CA 1.139 56.503 55.300 0.106 0.000 1.119 681 M CB -1.061 31.655 32.600 0.192 0.000 1.377 681 M HN 0.323 nan 8.290 nan 0.000 0.415 682 M N 0.466 120.082 119.600 0.026 0.000 2.117 682 M HA -0.169 4.294 4.480 -0.027 0.000 0.262 682 M C 1.718 178.050 176.300 0.053 0.000 1.065 682 M CA 1.398 56.693 55.300 -0.009 0.000 1.114 682 M CB -1.580 30.765 32.600 -0.424 0.000 1.361 682 M HN 0.267 nan 8.290 nan 0.000 0.408 683 N N 0.280 119.005 118.700 0.041 0.000 2.084 683 N HA -0.099 4.625 4.740 -0.027 0.000 0.190 683 N C 1.935 177.491 175.510 0.077 0.000 1.030 683 N CA 1.166 54.256 53.050 0.066 0.000 0.849 683 N CB -0.671 37.852 38.487 0.061 0.000 1.012 683 N HN 0.174 nan 8.380 nan 0.000 0.423 684 V N 1.825 121.784 119.914 0.074 0.000 2.343 684 V HA -0.168 3.936 4.120 -0.027 0.000 0.247 684 V C 2.407 178.548 176.094 0.078 0.000 1.051 684 V CA 1.231 63.574 62.300 0.070 0.000 1.036 684 V CB -0.498 31.366 31.823 0.070 0.000 0.654 684 V HN 0.216 nan 8.190 nan 0.000 0.451 685 L N -0.160 121.124 121.223 0.101 0.000 2.141 685 L HA -0.109 4.215 4.340 -0.027 0.000 0.209 685 L C 2.640 179.608 176.870 0.164 0.000 1.094 685 L CA 1.358 56.255 54.840 0.094 0.000 0.763 685 L CB -0.667 41.437 42.059 0.074 0.000 0.908 685 L HN 0.352 nan 8.230 nan 0.000 0.437 686 A N -0.666 122.276 122.820 0.203 0.000 1.969 686 A HA -0.222 4.081 4.320 -0.027 0.000 0.218 686 A C 2.202 179.856 177.584 0.116 0.000 1.169 686 A CA 1.358 53.506 52.037 0.185 0.000 0.635 686 A CB -0.316 18.764 19.000 0.134 0.000 0.810 686 A HN 0.463 nan 8.150 nan 0.000 0.445 687 Q N -1.249 118.603 119.800 0.087 0.000 2.245 687 Q HA 0.061 4.385 4.340 -0.027 0.000 0.201 687 Q C 2.026 178.057 176.000 0.052 0.000 0.955 687 Q CA 1.130 56.970 55.803 0.061 0.000 0.870 687 Q CB -0.142 28.626 28.738 0.050 0.000 0.945 687 Q HN 0.704 nan 8.270 nan 0.000 0.461 688 M N -0.290 119.342 119.600 0.053 0.000 2.319 688 M HA -0.089 4.375 4.480 -0.027 0.000 0.265 688 M C 1.973 178.296 176.300 0.039 0.000 1.068 688 M CA 1.135 56.457 55.300 0.036 0.000 1.118 688 M CB 0.117 32.731 32.600 0.023 0.000 1.395 688 M HN 0.215 nan 8.290 nan 0.000 0.435 689 I N -0.470 120.137 120.570 0.062 0.000 3.030 689 I HA -0.137 4.017 4.170 -0.027 0.000 0.270 689 I C 2.317 178.474 176.117 0.067 0.000 1.211 689 I CA 0.693 62.036 61.300 0.071 0.000 1.479 689 I CB 0.163 38.231 38.000 0.114 0.000 1.105 689 I HN 0.250 nan 8.210 nan 0.000 0.447 690 S N 0.229 115.967 115.700 0.063 0.000 2.436 690 S HA -0.041 4.413 4.470 -0.027 0.000 0.228 690 S C 1.102 175.723 174.600 0.035 0.000 1.014 690 S CA 0.008 58.238 58.200 0.050 0.000 0.950 690 S CB -0.532 62.698 63.200 0.049 0.000 0.784 690 S HN 0.405 nan 8.310 nan 0.000 0.504 691 N N 3.488 122.207 118.700 0.031 0.000 2.452 691 N HA 0.233 4.957 4.740 -0.027 0.000 0.266 691 N C -1.972 173.547 175.510 0.014 0.000 1.209 691 N CA -1.706 51.356 53.050 0.020 0.000 0.929 691 N CB 1.256 39.753 38.487 0.017 0.000 1.063 691 N HN 0.085 nan 8.380 nan 0.000 0.472 692 P HA 0.005 nan 4.420 nan 0.000 0.220 692 P C 0.265 177.560 177.300 -0.008 0.000 1.148 692 P CA 0.876 63.975 63.100 -0.001 0.000 0.803 692 P CB 0.326 32.022 31.700 -0.006 0.000 0.782 693 N N -0.517 118.179 118.700 -0.006 0.000 2.515 693 N HA 0.088 4.812 4.740 -0.027 0.000 0.191 693 N C 0.236 175.738 175.510 -0.013 0.000 1.182 693 N CA 0.050 53.093 53.050 -0.010 0.000 0.879 693 N CB -0.591 37.892 38.487 -0.007 0.000 0.984 693 N HN 0.084 nan 8.380 nan 0.000 0.453 694 A N 0.575 123.390 122.820 -0.009 0.000 2.401 694 A HA 0.186 4.490 4.320 -0.027 0.000 0.259 694 A C 0.674 178.245 177.584 -0.022 0.000 1.103 694 A CA -0.494 51.537 52.037 -0.009 0.000 0.789 694 A CB 0.269 19.272 19.000 0.005 0.000 1.035 694 A HN 0.306 nan 8.150 nan 0.000 0.491 695 R N 1.659 122.143 120.500 -0.027 0.000 2.570 695 R HA 0.012 4.336 4.340 -0.027 0.000 0.277 695 R C 1.534 177.810 176.300 -0.040 0.000 1.039 695 R CA 0.341 56.416 56.100 -0.042 0.000 1.065 695 R CB 0.425 30.702 30.300 -0.038 0.000 0.964 695 R HN 0.915 nan 8.270 nan 0.000 0.428 696 R N 2.654 123.098 120.500 -0.093 0.000 2.096 696 R HA -0.164 4.160 4.340 -0.027 0.000 0.235 696 R C 0.905 177.224 176.300 0.032 0.000 1.127 696 R CA 1.894 57.913 56.100 -0.135 0.000 0.968 696 R CB -0.277 29.731 30.300 -0.485 0.000 0.861 696 R HN 0.661 nan 8.270 nan 0.000 0.440 697 E N 0.857 121.069 120.200 0.019 0.000 2.463 697 E HA -0.122 4.212 4.350 -0.027 0.000 0.201 697 E C 1.496 178.140 176.600 0.073 0.000 1.045 697 E CA 0.607 57.059 56.400 0.086 0.000 0.872 697 E CB 0.017 29.735 29.700 0.030 0.000 0.797 697 E HN 0.232 nan 8.360 nan 0.000 0.538 698 L N 0.501 121.755 121.223 0.051 0.000 2.249 698 L HA 0.037 4.360 4.340 -0.027 0.000 0.207 698 L C 1.911 178.796 176.870 0.024 0.000 1.090 698 L CA 1.406 56.259 54.840 0.022 0.000 0.802 698 L CB -0.062 42.000 42.059 0.005 0.000 0.947 698 L HN -0.119 nan 8.230 nan 0.000 0.453 699 K N -0.070 120.374 120.400 0.073 0.000 1.991 699 K HA -0.143 4.161 4.320 -0.027 0.000 0.212 699 K C -0.521 176.088 176.600 0.015 0.000 1.049 699 K CA 1.926 58.253 56.287 0.066 0.000 0.932 699 K CB -1.031 31.549 32.500 0.133 0.000 0.717 699 K HN 0.221 nan 8.250 nan 0.000 0.441 700 P HA -0.180 nan 4.420 nan 0.000 0.216 700 P C 0.888 178.160 177.300 -0.047 0.000 1.153 700 P CA 2.000 65.081 63.100 -0.032 0.000 0.858 700 P CB -0.075 31.618 31.700 -0.012 0.000 0.789 701 A N -0.779 122.021 122.820 -0.033 0.000 1.877 701 A HA -0.162 4.142 4.320 -0.027 0.000 0.216 701 A C 2.362 179.869 177.584 -0.129 0.000 1.186 701 A CA 1.922 53.924 52.037 -0.057 0.000 0.620 701 A CB -1.677 17.305 19.000 -0.030 0.000 0.822 701 A HN 0.036 nan 8.150 nan 0.000 0.443 702 V N 0.124 119.941 119.914 -0.162 0.000 2.307 702 V HA -0.243 3.861 4.120 -0.027 0.000 0.245 702 V C 2.577 178.352 176.094 -0.531 0.000 1.045 702 V CA 1.897 63.988 62.300 -0.347 0.000 1.024 702 V CB -0.809 30.855 31.823 -0.265 0.000 0.651 702 V HN 0.567 nan 8.190 nan 0.000 0.449 703 L N -0.060 121.029 121.223 -0.224 0.000 2.043 703 L HA -0.205 4.118 4.340 -0.027 0.000 0.212 703 L C 2.618 179.453 176.870 -0.058 0.000 1.075 703 L CA 1.850 56.670 54.840 -0.034 0.000 0.752 703 L CB -0.674 41.384 42.059 -0.002 0.000 0.891 703 L HN 0.321 nan 8.230 nan 0.000 0.432 704 S N -0.828 114.804 115.700 -0.114 0.000 2.368 704 S HA -0.159 4.295 4.470 -0.027 0.000 0.224 704 S C 1.887 176.427 174.600 -0.100 0.000 1.029 704 S CA 1.149 59.292 58.200 -0.094 0.000 0.988 704 S CB -0.244 62.906 63.200 -0.083 0.000 0.838 704 S HN 0.254 nan 8.310 nan 0.000 0.462 705 V N 1.292 121.105 119.914 -0.169 0.000 2.913 705 V HA -0.071 4.033 4.120 -0.027 0.000 0.260 705 V C 1.557 177.605 176.094 -0.077 0.000 1.098 705 V CA 1.238 63.443 62.300 -0.158 0.000 1.121 705 V CB -0.750 30.964 31.823 -0.181 0.000 0.714 705 V HN 0.365 nan 8.190 nan 0.000 0.487 706 F N 1.270 121.216 119.950 -0.008 0.000 2.171 706 F HA 0.035 4.545 4.527 -0.028 0.000 0.300 706 F C 2.398 178.131 175.800 -0.112 0.000 1.090 706 F CA 1.166 59.185 58.000 0.031 0.000 1.293 706 F CB -1.441 37.612 39.000 0.087 0.000 1.013 706 F HN 0.260 nan 8.300 nan 0.000 0.486 707 G N -0.460 108.372 108.800 0.053 0.000 2.402 707 G HA2 -0.200 3.744 3.960 -0.027 0.000 0.216 707 G HA3 -0.200 3.744 3.960 -0.027 0.000 0.216 707 G C 1.479 176.311 174.900 -0.114 0.000 1.162 707 G CA 0.944 45.997 45.100 -0.077 0.000 0.777 707 G HN 0.244 nan 8.290 nan 0.000 0.539 708 D N 0.620 120.963 120.400 -0.095 0.000 2.117 708 D HA -0.064 4.560 4.640 -0.027 0.000 0.198 708 D C 2.564 178.773 176.300 -0.151 0.000 0.982 708 D CA 0.574 54.492 54.000 -0.137 0.000 0.828 708 D CB -0.002 40.698 40.800 -0.167 0.000 0.967 708 D HN 0.355 nan 8.370 nan 0.000 0.464 709 I N 1.500 122.029 120.570 -0.069 0.000 2.179 709 I HA -0.243 3.911 4.170 -0.027 0.000 0.242 709 I C 2.641 178.773 176.117 0.025 0.000 1.088 709 I CA 1.033 62.380 61.300 0.078 0.000 1.357 709 I CB -0.218 37.982 38.000 0.333 0.000 1.051 709 I HN -0.094 nan 8.210 nan 0.000 0.409 710 A N -0.280 122.355 122.820 -0.308 0.000 1.877 710 A HA -0.260 4.044 4.320 -0.027 0.000 0.216 710 A C 2.484 179.923 177.584 -0.241 0.000 1.186 710 A CA 2.235 53.864 52.037 -0.680 0.000 0.620 710 A CB -0.969 17.193 19.000 -1.397 0.000 0.822 710 A HN 0.393 nan 8.150 nan 0.000 0.443 711 S N -0.096 115.499 115.700 -0.175 0.000 2.374 711 S HA -0.197 4.257 4.470 -0.027 0.000 0.227 711 S C 1.815 176.403 174.600 -0.020 0.000 1.037 711 S CA 1.817 59.972 58.200 -0.075 0.000 1.024 711 S CB -0.503 62.648 63.200 -0.080 0.000 0.861 711 S HN 0.691 nan 8.310 nan 0.000 0.456 712 N N 0.683 119.375 118.700 -0.013 0.000 2.388 712 N HA 0.156 4.879 4.740 -0.027 0.000 0.176 712 N C 1.668 177.259 175.510 0.135 0.000 1.062 712 N CA 1.062 54.134 53.050 0.037 0.000 0.895 712 N CB 0.077 38.541 38.487 -0.039 0.000 1.018 712 N HN 0.722 nan 8.380 nan 0.000 0.456 713 I N -2.871 117.806 120.570 0.178 0.000 3.783 713 I HA 0.313 4.466 4.170 -0.027 0.000 0.310 713 I C 1.237 177.457 176.117 0.172 0.000 1.274 713 I CA 0.195 61.627 61.300 0.220 0.000 1.294 713 I CB 0.115 38.302 38.000 0.311 0.000 1.051 713 I HN -0.029 nan 8.210 nan 0.000 0.435 714 G N 2.300 111.177 108.800 0.128 0.000 2.591 714 G HA2 -0.459 3.485 3.960 -0.027 0.000 0.298 714 G HA3 -0.459 3.485 3.960 -0.027 0.000 0.298 714 G C 1.048 176.034 174.900 0.144 0.000 1.195 714 G CA 1.039 46.197 45.100 0.097 0.000 0.989 714 G HN 0.779 nan 8.290 nan 0.000 0.551 715 A N -0.666 122.214 122.820 0.100 0.000 2.121 715 A HA 0.167 4.471 4.320 -0.027 0.000 0.218 715 A C 1.869 179.535 177.584 0.135 0.000 1.154 715 A CA 2.224 54.322 52.037 0.102 0.000 0.679 715 A CB -0.408 18.620 19.000 0.047 0.000 0.795 715 A HN 0.587 nan 8.150 nan 0.000 0.458 716 D N -1.250 119.246 120.400 0.161 0.000 2.309 716 D HA -0.096 4.528 4.640 -0.027 0.000 0.212 716 D C 1.186 177.652 176.300 0.276 0.000 0.968 716 D CA 0.677 54.783 54.000 0.176 0.000 0.882 716 D CB -0.288 40.619 40.800 0.179 0.000 0.918 716 D HN 0.543 nan 8.370 nan 0.000 0.503 717 F N 0.639 120.699 119.950 0.184 0.000 2.558 717 F HA 0.093 4.612 4.527 -0.012 0.000 0.298 717 F C 1.868 177.776 175.800 0.180 0.000 1.119 717 F CA 0.222 58.394 58.000 0.288 0.000 1.451 717 F CB 0.006 39.124 39.000 0.198 0.000 1.091 717 F HN -0.145 nan 8.300 nan 0.000 0.563 718 I N 1.253 121.908 120.570 0.142 0.000 2.151 718 I HA -0.276 3.878 4.170 -0.027 0.000 0.243 718 I C -0.561 175.468 176.117 -0.147 0.000 1.080 718 I CA 1.399 62.724 61.300 0.041 0.000 1.339 718 I CB -1.672 36.367 38.000 0.065 0.000 1.039 718 I HN 0.073 nan 8.210 nan 0.000 0.409 719 P HA -0.168 nan 4.420 nan 0.000 0.221 719 P C 0.809 177.753 177.300 -0.593 0.000 1.145 719 P CA 1.495 64.314 63.100 -0.468 0.000 0.795 719 P CB -0.123 31.196 31.700 -0.634 0.000 0.775 720 Y N -2.270 117.789 120.300 -0.402 0.000 2.462 720 Y HA 0.151 4.687 4.550 -0.025 0.000 0.261 720 Y C 1.967 177.521 175.900 -0.578 0.000 1.146 720 Y CA -0.370 57.393 58.100 -0.561 0.000 1.283 720 Y CB -0.866 37.083 38.460 -0.852 0.000 1.090 720 Y HN -0.137 nan 8.280 nan 0.000 0.526 721 L N 1.077 122.108 121.223 -0.320 0.000 2.046 721 L HA -0.223 4.101 4.340 -0.027 0.000 0.208 721 L C 2.041 178.820 176.870 -0.151 0.000 1.077 721 L CA 1.887 56.652 54.840 -0.126 0.000 0.747 721 L CB -0.863 41.227 42.059 0.052 0.000 0.896 721 L HN 0.360 nan 8.230 nan 0.000 0.432 722 N N -1.193 117.469 118.700 -0.063 0.000 2.188 722 N HA -0.191 4.533 4.740 -0.027 0.000 0.184 722 N C 1.264 176.752 175.510 -0.037 0.000 1.018 722 N CA 1.200 54.258 53.050 0.015 0.000 0.858 722 N CB 0.033 38.594 38.487 0.123 0.000 0.989 722 N HN 0.434 nan 8.380 nan 0.000 0.426 723 D N 1.076 121.431 120.400 -0.075 0.000 2.097 723 D HA -0.113 4.511 4.640 -0.027 0.000 0.197 723 D C 2.050 178.272 176.300 -0.130 0.000 0.984 723 D CA 0.674 54.626 54.000 -0.080 0.000 0.826 723 D CB -0.122 40.629 40.800 -0.081 0.000 0.973 723 D HN 0.305 nan 8.370 nan 0.000 0.460 724 I N 0.955 121.397 120.570 -0.214 0.000 2.252 724 I HA -0.162 3.992 4.170 -0.027 0.000 0.245 724 I C 2.281 178.328 176.117 -0.118 0.000 1.102 724 I CA 0.781 61.920 61.300 -0.268 0.000 1.385 724 I CB -0.887 36.953 38.000 -0.267 0.000 1.064 724 I HN 0.040 nan 8.210 nan 0.000 0.414 725 M N 0.446 119.967 119.600 -0.131 0.000 2.296 725 M HA -0.078 4.386 4.480 -0.027 0.000 0.265 725 M C 2.366 178.664 176.300 -0.003 0.000 1.064 725 M CA 1.393 56.620 55.300 -0.122 0.000 1.109 725 M CB -1.270 31.015 32.600 -0.524 0.000 1.396 725 M HN 0.260 nan 8.290 nan 0.000 0.430 726 A N -0.103 122.717 122.820 0.001 0.000 1.929 726 A HA -0.051 4.253 4.320 -0.027 0.000 0.216 726 A C 2.250 179.856 177.584 0.038 0.000 1.176 726 A CA 0.924 52.987 52.037 0.043 0.000 0.628 726 A CB -0.683 18.341 19.000 0.040 0.000 0.816 726 A HN 0.450 nan 8.150 nan 0.000 0.444 727 L N -0.908 120.324 121.223 0.016 0.000 2.141 727 L HA -0.207 4.116 4.340 -0.027 0.000 0.209 727 L C 2.563 179.450 176.870 0.029 0.000 1.094 727 L CA 0.964 55.825 54.840 0.035 0.000 0.763 727 L CB -0.519 41.573 42.059 0.055 0.000 0.908 727 L HN 0.476 nan 8.230 nan 0.000 0.437 728 C N -1.376 117.930 119.300 0.010 0.000 2.466 728 C HA -0.074 4.370 4.460 -0.027 0.000 0.278 728 C C 2.772 177.778 174.990 0.026 0.000 1.288 728 C CA 0.177 59.166 59.018 -0.050 0.000 1.722 728 C CB -0.334 27.350 27.740 -0.093 0.000 2.017 728 C HN 0.318 nan 8.230 nan 0.000 0.488 729 V N 1.784 121.759 119.914 0.101 0.000 2.255 729 V HA -0.236 3.867 4.120 -0.027 0.000 0.247 729 V C 2.775 178.923 176.094 0.089 0.000 1.051 729 V CA 2.387 64.763 62.300 0.127 0.000 1.018 729 V CB -1.440 30.460 31.823 0.129 0.000 0.641 729 V HN 0.578 nan 8.190 nan 0.000 0.445 730 A N -0.094 122.766 122.820 0.068 0.000 1.940 730 A HA -0.155 4.149 4.320 -0.027 0.000 0.219 730 A C 2.399 180.010 177.584 0.046 0.000 1.176 730 A CA 2.318 54.388 52.037 0.055 0.000 0.631 730 A CB -0.777 18.252 19.000 0.050 0.000 0.814 730 A HN 0.605 nan 8.150 nan 0.000 0.446 731 A N 0.256 123.096 122.820 0.034 0.000 1.873 731 A HA -0.205 4.099 4.320 -0.027 0.000 0.215 731 A C 2.223 179.825 177.584 0.030 0.000 1.186 731 A CA 1.733 53.777 52.037 0.012 0.000 0.616 731 A CB -0.724 18.261 19.000 -0.024 0.000 0.823 731 A HN 0.780 nan 8.150 nan 0.000 0.442 732 Q N -0.898 118.943 119.800 0.070 0.000 2.291 732 Q HA -0.128 4.196 4.340 -0.027 0.000 0.206 732 Q C 0.744 176.806 176.000 0.104 0.000 0.976 732 Q CA 1.529 57.424 55.803 0.154 0.000 0.875 732 Q CB -0.340 28.586 28.738 0.313 0.000 0.927 732 Q HN 0.530 nan 8.270 nan 0.000 0.450 733 N N 0.621 119.367 118.700 0.077 0.000 2.336 733 N HA 0.038 4.762 4.740 -0.027 0.000 0.189 733 N C -0.401 175.131 175.510 0.037 0.000 1.113 733 N CA 0.448 53.531 53.050 0.054 0.000 0.858 733 N CB 0.561 39.081 38.487 0.056 0.000 0.970 733 N HN 0.165 nan 8.380 nan 0.000 0.471 734 T N 2.223 116.797 114.554 0.034 0.000 2.814 734 T HA 0.153 4.486 4.350 -0.027 0.000 0.297 734 T C 0.702 175.414 174.700 0.020 0.000 0.956 734 T CA -0.186 61.931 62.100 0.028 0.000 1.123 734 T CB 1.306 70.192 68.868 0.029 0.000 0.902 734 T HN -0.126 nan 8.240 nan 0.000 0.528 735 K N 3.102 123.516 120.400 0.023 0.000 2.098 735 K HA 0.357 4.661 4.320 -0.027 0.000 0.244 735 K C -2.438 174.181 176.600 0.032 0.000 1.014 735 K CA -2.419 53.879 56.287 0.019 0.000 0.917 735 K CB -0.063 32.447 32.500 0.017 0.000 1.072 735 K HN 0.281 nan 8.250 nan 0.000 0.477 736 P HA -0.025 nan 4.420 nan 0.000 0.262 736 P C 0.269 177.602 177.300 0.055 0.000 1.182 736 P CA 0.318 63.449 63.100 0.052 0.000 0.761 736 P CB 0.233 31.955 31.700 0.037 0.000 0.795 737 E N 2.738 122.983 120.200 0.074 0.000 2.333 737 E HA -0.138 4.196 4.350 -0.027 0.000 0.198 737 E C 0.611 177.233 176.600 0.037 0.000 1.007 737 E CA 0.614 57.046 56.400 0.054 0.000 0.845 737 E CB -0.366 29.366 29.700 0.054 0.000 0.766 737 E HN 0.599 nan 8.360 nan 0.000 0.507 738 N N -1.657 117.066 118.700 0.039 0.000 3.378 738 N HA 0.114 4.837 4.740 -0.027 0.000 0.294 738 N C 0.261 175.790 175.510 0.032 0.000 1.544 738 N CA -0.498 52.572 53.050 0.034 0.000 0.872 738 N CB 0.718 39.224 38.487 0.032 0.000 1.670 738 N HN -0.046 nan 8.380 nan 0.000 0.551 739 G N -0.275 108.545 108.800 0.032 0.000 3.088 739 G HA2 0.051 3.995 3.960 -0.027 0.000 0.212 739 G HA3 0.051 3.995 3.960 -0.027 0.000 0.212 739 G C 0.436 175.346 174.900 0.017 0.000 1.173 739 G CA 0.473 45.588 45.100 0.024 0.000 0.779 739 G HN 0.590 nan 8.290 nan 0.000 0.540 740 T N -0.185 114.382 114.554 0.021 0.000 2.813 740 T HA 0.172 4.506 4.350 -0.027 0.000 0.297 740 T C 1.547 176.252 174.700 0.008 0.000 1.036 740 T CA -0.500 61.608 62.100 0.013 0.000 1.044 740 T CB 0.880 69.759 68.868 0.017 0.000 0.993 740 T HN -0.037 nan 8.240 nan 0.000 0.535 741 L N 2.013 123.236 121.223 -0.001 0.000 2.291 741 L HA 0.147 4.471 4.340 -0.027 0.000 0.214 741 L C 2.403 179.280 176.870 0.011 0.000 1.120 741 L CA 1.605 56.443 54.840 -0.003 0.000 0.799 741 L CB -0.378 41.671 42.059 -0.016 0.000 0.925 741 L HN 0.763 nan 8.230 nan 0.000 0.446 742 E N -0.713 119.496 120.200 0.015 0.000 2.112 742 E HA -0.121 4.213 4.350 -0.027 0.000 0.190 742 E C 2.166 178.802 176.600 0.060 0.000 0.979 742 E CA 0.915 57.330 56.400 0.026 0.000 0.814 742 E CB -0.205 29.499 29.700 0.007 0.000 0.762 742 E HN 0.585 nan 8.360 nan 0.000 0.460 743 A N 1.234 124.088 122.820 0.057 0.000 1.969 743 A HA -0.118 4.186 4.320 -0.027 0.000 0.218 743 A C 2.109 179.761 177.584 0.113 0.000 1.169 743 A CA 0.711 52.807 52.037 0.098 0.000 0.635 743 A CB -0.303 18.737 19.000 0.066 0.000 0.810 743 A HN 0.160 nan 8.150 nan 0.000 0.445 744 L N 0.175 121.436 121.223 0.062 0.000 2.005 744 L HA -0.100 4.224 4.340 -0.027 0.000 0.207 744 L C 1.490 178.383 176.870 0.037 0.000 1.072 744 L CA 2.353 57.215 54.840 0.036 0.000 0.744 744 L CB -0.795 41.270 42.059 0.011 0.000 0.895 744 L HN 0.296 nan 8.230 nan 0.000 0.433 745 D N -1.889 118.540 120.400 0.048 0.000 2.218 745 D HA -0.233 4.391 4.640 -0.027 0.000 0.204 745 D C 1.932 178.282 176.300 0.084 0.000 0.976 745 D CA 1.095 55.123 54.000 0.047 0.000 0.853 745 D CB -0.151 40.674 40.800 0.042 0.000 0.939 745 D HN 0.462 nan 8.370 nan 0.000 0.481 746 Y N 1.281 121.578 120.300 -0.006 0.000 2.220 746 Y HA -0.118 4.417 4.550 -0.025 0.000 0.291 746 Y C 2.268 178.169 175.900 0.003 0.000 1.129 746 Y CA 1.457 59.556 58.100 -0.003 0.000 1.161 746 Y CB -0.269 38.188 38.460 -0.004 0.000 0.997 746 Y HN -0.084 nan 8.280 nan 0.000 0.522 747 Q N 0.005 119.749 119.800 -0.094 0.000 2.061 747 Q HA -0.201 4.123 4.340 -0.027 0.000 0.204 747 Q C 2.062 177.974 176.000 -0.146 0.000 0.984 747 Q CA 2.115 57.824 55.803 -0.157 0.000 0.846 747 Q CB -0.179 28.534 28.738 -0.043 0.000 0.902 747 Q HN 0.489 nan 8.270 nan 0.000 0.421 748 I N 1.242 121.763 120.570 -0.082 0.000 2.208 748 I HA -0.284 3.870 4.170 -0.027 0.000 0.245 748 I C 2.303 178.382 176.117 -0.064 0.000 1.097 748 I CA 1.396 62.663 61.300 -0.055 0.000 1.363 748 I CB -1.053 36.929 38.000 -0.031 0.000 1.051 748 I HN 0.219 nan 8.210 nan 0.000 0.413 749 K N 0.624 120.967 120.400 -0.094 0.000 2.032 749 K HA -0.116 4.187 4.320 -0.027 0.000 0.209 749 K C 2.253 178.763 176.600 -0.149 0.000 1.048 749 K CA 0.956 57.187 56.287 -0.093 0.000 0.927 749 K CB -0.660 31.810 32.500 -0.049 0.000 0.712 749 K HN 0.191 nan 8.250 nan 0.000 0.441 750 V N 2.181 121.916 119.914 -0.299 0.000 2.255 750 V HA -0.257 3.847 4.120 -0.027 0.000 0.247 750 V C 2.487 178.515 176.094 -0.109 0.000 1.051 750 V CA 1.648 63.793 62.300 -0.258 0.000 1.018 750 V CB -0.459 31.143 31.823 -0.368 0.000 0.641 750 V HN 0.239 nan 8.190 nan 0.000 0.445 751 L N -0.519 120.684 121.223 -0.034 0.000 2.083 751 L HA -0.209 4.115 4.340 -0.027 0.000 0.209 751 L C 2.521 179.512 176.870 0.202 0.000 1.083 751 L CA 1.650 56.586 54.840 0.161 0.000 0.752 751 L CB -0.649 41.491 42.059 0.135 0.000 0.899 751 L HN 0.413 nan 8.230 nan 0.000 0.433 752 E N 0.022 120.268 120.200 0.076 0.000 2.150 752 E HA -0.171 4.162 4.350 -0.027 0.000 0.193 752 E C 2.286 178.881 176.600 -0.009 0.000 0.985 752 E CA 0.973 57.412 56.400 0.065 0.000 0.814 752 E CB -0.068 29.649 29.700 0.030 0.000 0.752 752 E HN 0.510 nan 8.360 nan 0.000 0.466 753 A N 0.799 123.581 122.820 -0.063 0.000 1.897 753 A HA -0.097 4.207 4.320 -0.027 0.000 0.215 753 A C 2.463 179.920 177.584 -0.212 0.000 1.181 753 A CA 0.785 52.756 52.037 -0.110 0.000 0.620 753 A CB -0.518 18.422 19.000 -0.100 0.000 0.821 753 A HN 0.098 nan 8.150 nan 0.000 0.443 754 V N 0.072 119.796 119.914 -0.316 0.000 2.332 754 V HA -0.259 3.845 4.120 -0.027 0.000 0.248 754 V C 2.501 177.993 176.094 -1.003 0.000 1.055 754 V CA 1.995 63.871 62.300 -0.707 0.000 1.038 754 V CB -0.893 30.450 31.823 -0.800 0.000 0.651 754 V HN 0.590 nan 8.190 nan 0.000 0.450 755 L N 0.619 121.447 121.223 -0.657 0.000 2.012 755 L HA -0.198 4.126 4.340 -0.027 0.000 0.210 755 L C 2.074 178.845 176.870 -0.165 0.000 1.073 755 L CA 2.195 56.852 54.840 -0.306 0.000 0.748 755 L CB -1.046 41.101 42.059 0.146 0.000 0.891 755 L HN 0.292 nan 8.230 nan 0.000 0.431 756 D N -0.240 120.081 120.400 -0.132 0.000 2.149 756 D HA -0.164 4.460 4.640 -0.027 0.000 0.198 756 D C 2.195 178.437 176.300 -0.096 0.000 0.990 756 D CA 1.536 55.486 54.000 -0.084 0.000 0.839 756 D CB -0.239 40.517 40.800 -0.073 0.000 0.948 756 D HN 0.518 nan 8.370 nan 0.000 0.460 757 A N 0.124 122.844 122.820 -0.167 0.000 1.877 757 A HA -0.205 4.098 4.320 -0.027 0.000 0.216 757 A C 2.001 179.571 177.584 -0.022 0.000 1.186 757 A CA 1.082 53.053 52.037 -0.110 0.000 0.620 757 A CB -0.978 17.930 19.000 -0.153 0.000 0.822 757 A HN 0.190 nan 8.150 nan 0.000 0.443 758 Y N -0.018 120.193 120.300 -0.149 0.000 2.181 758 Y HA -0.135 4.399 4.550 -0.026 0.000 0.288 758 Y C 2.713 178.571 175.900 -0.071 0.000 1.146 758 Y CA 0.532 58.556 58.100 -0.127 0.000 1.164 758 Y CB -1.235 37.114 38.460 -0.184 0.000 0.982 758 Y HN 0.086 nan 8.280 nan 0.000 0.515 759 V N -0.241 119.736 119.914 0.104 0.000 2.287 759 V HA -0.299 3.805 4.120 -0.027 0.000 0.248 759 V C 2.570 178.677 176.094 0.020 0.000 1.053 759 V CA 2.100 64.434 62.300 0.057 0.000 1.027 759 V CB -1.415 30.427 31.823 0.032 0.000 0.646 759 V HN 0.520 nan 8.190 nan 0.000 0.447 760 G N -0.423 108.366 108.800 -0.018 0.000 2.421 760 G HA2 -0.202 3.742 3.960 -0.027 0.000 0.216 760 G HA3 -0.202 3.742 3.960 -0.027 0.000 0.216 760 G C 1.580 176.424 174.900 -0.094 0.000 1.171 760 G CA 1.032 46.092 45.100 -0.068 0.000 0.775 760 G HN 0.480 nan 8.290 nan 0.000 0.543 761 I N 0.364 120.877 120.570 -0.095 0.000 2.163 761 I HA -0.182 3.971 4.170 -0.027 0.000 0.243 761 I C 2.812 178.936 176.117 0.012 0.000 1.085 761 I CA 0.620 61.860 61.300 -0.100 0.000 1.347 761 I CB -0.360 37.630 38.000 -0.016 0.000 1.044 761 I HN 0.023 nan 8.210 nan 0.000 0.408 762 V N 1.077 121.025 119.914 0.057 0.000 2.287 762 V HA -0.339 3.765 4.120 -0.027 0.000 0.248 762 V C 2.708 178.880 176.094 0.130 0.000 1.053 762 V CA 2.141 64.502 62.300 0.102 0.000 1.027 762 V CB -1.054 30.833 31.823 0.107 0.000 0.646 762 V HN 0.522 nan 8.190 nan 0.000 0.447 763 A N 0.404 123.282 122.820 0.097 0.000 1.877 763 A HA -0.088 4.216 4.320 -0.027 0.000 0.216 763 A C 2.434 180.157 177.584 0.232 0.000 1.186 763 A CA 1.937 54.056 52.037 0.136 0.000 0.620 763 A CB -1.287 17.738 19.000 0.043 0.000 0.822 763 A HN 0.536 nan 8.150 nan 0.000 0.443 764 G N -0.676 108.175 108.800 0.084 0.000 2.432 764 G HA2 -0.047 3.897 3.960 -0.027 0.000 0.219 764 G HA3 -0.047 3.897 3.960 -0.027 0.000 0.219 764 G C 1.241 176.162 174.900 0.035 0.000 1.135 764 G CA 0.979 46.108 45.100 0.048 0.000 0.767 764 G HN 0.438 nan 8.290 nan 0.000 0.550 765 L N 1.282 122.536 121.223 0.053 0.000 2.769 765 L HA 0.182 4.506 4.340 -0.027 0.000 0.240 765 L C 2.184 179.044 176.870 -0.016 0.000 1.163 765 L CA -0.041 54.817 54.840 0.029 0.000 0.962 765 L CB -0.269 41.851 42.059 0.100 0.000 1.258 765 L HN 0.424 nan 8.230 nan 0.000 0.513 766 H N -1.048 118.038 119.070 0.027 0.000 2.457 766 H HA -0.165 4.375 4.556 -0.028 0.000 0.297 766 H C 0.367 175.684 175.328 -0.019 0.000 1.092 766 H CA 1.302 57.356 56.048 0.009 0.000 1.309 766 H CB -0.038 29.738 29.762 0.024 0.000 1.382 766 H HN 0.266 nan 8.280 nan 0.000 0.535 767 D N 0.287 120.384 120.400 -0.505 0.000 2.325 767 D HA 0.102 4.725 4.640 -0.027 0.000 0.225 767 D C 0.125 176.337 176.300 -0.146 0.000 1.096 767 D CA 0.238 54.069 54.000 -0.282 0.000 0.844 767 D CB 0.304 40.907 40.800 -0.329 0.000 0.925 767 D HN 0.149 nan 8.370 nan 0.000 0.513 768 K N 0.493 120.828 120.400 -0.108 0.000 3.253 768 K HA 0.163 4.466 4.320 -0.027 0.000 0.174 768 K C -2.091 174.505 176.600 -0.006 0.000 1.071 768 K CA -1.134 55.130 56.287 -0.038 0.000 0.836 768 K CB 1.830 34.330 32.500 0.001 0.000 0.922 768 K HN 0.009 nan 8.250 nan 0.000 0.565 769 P HA -0.215 nan 4.420 nan 0.000 0.218 769 P C 1.119 178.531 177.300 0.188 0.000 1.149 769 P CA 1.250 64.239 63.100 -0.184 0.000 0.817 769 P CB 0.344 31.612 31.700 -0.721 0.000 0.785 770 E N 1.016 121.304 120.200 0.148 0.000 2.118 770 E HA -0.189 4.145 4.350 -0.027 0.000 0.195 770 E C 1.991 178.744 176.600 0.256 0.000 0.992 770 E CA 1.696 58.220 56.400 0.207 0.000 0.804 770 E CB -1.319 28.431 29.700 0.085 0.000 0.741 770 E HN 0.191 nan 8.360 nan 0.000 0.458 771 A N 1.269 124.219 122.820 0.217 0.000 1.930 771 A HA -0.052 4.251 4.320 -0.027 0.000 0.217 771 A C 2.238 180.036 177.584 0.357 0.000 1.175 771 A CA 1.295 53.476 52.037 0.241 0.000 0.627 771 A CB -0.505 18.610 19.000 0.191 0.000 0.815 771 A HN 0.271 nan 8.150 nan 0.000 0.443 772 L N -2.184 119.276 121.223 0.395 0.000 2.375 772 L HA 0.166 4.490 4.340 -0.027 0.000 0.215 772 L C 1.967 179.110 176.870 0.454 0.000 1.108 772 L CA 0.869 55.986 54.840 0.460 0.000 0.830 772 L CB -0.479 41.817 42.059 0.395 0.000 0.959 772 L HN 0.408 nan 8.230 nan 0.000 0.457 773 F N 2.004 122.166 119.950 0.354 0.000 2.045 773 F HA -0.241 4.270 4.527 -0.027 0.000 0.297 773 F C -0.599 175.162 175.800 -0.065 0.000 1.114 773 F CA 2.308 60.375 58.000 0.111 0.000 1.207 773 F CB -1.673 37.412 39.000 0.141 0.000 0.964 773 F HN 0.158 nan 8.300 nan 0.000 0.486 774 P HA -0.167 nan 4.420 nan 0.000 0.223 774 P C 0.460 177.437 177.300 -0.538 0.000 1.144 774 P CA 1.668 64.510 63.100 -0.431 0.000 0.783 774 P CB -0.313 31.065 31.700 -0.537 0.000 0.771 775 Y N -2.811 117.424 120.300 -0.107 0.000 2.458 775 Y HA 0.084 4.620 4.550 -0.023 0.000 0.256 775 Y C 2.096 177.879 175.900 -0.194 0.000 1.159 775 Y CA -0.155 57.878 58.100 -0.112 0.000 1.261 775 Y CB -0.773 37.649 38.460 -0.062 0.000 1.119 775 Y HN -0.274 nan 8.280 nan 0.000 0.524 776 V N -0.096 119.711 119.914 -0.178 0.000 2.332 776 V HA -0.264 3.840 4.120 -0.027 0.000 0.248 776 V C 2.472 178.377 176.094 -0.314 0.000 1.055 776 V CA 2.266 64.407 62.300 -0.266 0.000 1.038 776 V CB -1.124 30.413 31.823 -0.476 0.000 0.651 776 V HN 0.567 nan 8.190 nan 0.000 0.450 777 G N -0.560 108.058 108.800 -0.303 0.000 2.422 777 G HA2 -0.219 3.725 3.960 -0.027 0.000 0.218 777 G HA3 -0.219 3.725 3.960 -0.027 0.000 0.218 777 G C 1.669 176.587 174.900 0.029 0.000 1.146 777 G CA 1.476 46.504 45.100 -0.121 0.000 0.769 777 G HN 0.489 nan 8.290 nan 0.000 0.547 778 T N 1.341 115.903 114.554 0.013 0.000 2.857 778 T HA 0.010 4.344 4.350 -0.027 0.000 0.266 778 T C 2.371 177.090 174.700 0.033 0.000 1.048 778 T CA 0.756 62.894 62.100 0.064 0.000 1.139 778 T CB -0.102 68.826 68.868 0.099 0.000 0.874 778 T HN 0.276 nan 8.240 nan 0.000 0.455 779 I N -0.023 120.464 120.570 -0.139 0.000 2.394 779 I HA -0.081 4.073 4.170 -0.027 0.000 0.251 779 I C 1.872 177.954 176.117 -0.058 0.000 1.136 779 I CA 1.284 62.419 61.300 -0.274 0.000 1.425 779 I CB -0.380 37.339 38.000 -0.470 0.000 1.079 779 I HN 0.152 nan 8.210 nan 0.000 0.425 780 F N 1.102 121.004 119.950 -0.079 0.000 2.325 780 F HA -0.131 4.385 4.527 -0.018 0.000 0.299 780 F C 2.646 178.532 175.800 0.145 0.000 1.090 780 F CA 1.163 59.197 58.000 0.055 0.000 1.392 780 F CB -0.310 38.646 39.000 -0.074 0.000 1.053 780 F HN 0.036 nan 8.300 nan 0.000 0.521 781 Q N -0.848 119.095 119.800 0.239 0.000 2.084 781 Q HA -0.235 4.088 4.340 -0.027 0.000 0.202 781 Q C 2.127 178.174 176.000 0.079 0.000 0.978 781 Q CA 1.879 57.754 55.803 0.120 0.000 0.844 781 Q CB -0.449 28.363 28.738 0.123 0.000 0.898 781 Q HN 0.479 nan 8.270 nan 0.000 0.426 782 F N 0.903 120.888 119.950 0.059 0.000 2.146 782 F HA -0.137 4.372 4.527 -0.030 0.000 0.298 782 F C 1.836 177.645 175.800 0.015 0.000 1.096 782 F CA 1.035 59.081 58.000 0.077 0.000 1.275 782 F CB -0.029 39.129 39.000 0.263 0.000 1.008 782 F HN -0.055 nan 8.300 nan 0.000 0.480 783 I N 0.415 121.031 120.570 0.077 0.000 2.264 783 I HA -0.318 3.836 4.170 -0.027 0.000 0.248 783 I C 2.628 178.639 176.117 -0.177 0.000 1.111 783 I CA 1.240 62.531 61.300 -0.015 0.000 1.382 783 I CB -0.832 37.194 38.000 0.043 0.000 1.060 783 I HN 0.248 nan 8.210 nan 0.000 0.418 784 A N -0.030 122.589 122.820 -0.334 0.000 2.015 784 A HA -0.220 4.084 4.320 -0.027 0.000 0.219 784 A C 2.233 179.493 177.584 -0.539 0.000 1.163 784 A CA 1.317 52.834 52.037 -0.867 0.000 0.646 784 A CB -0.442 17.871 19.000 -1.145 0.000 0.806 784 A HN 0.493 nan 8.150 nan 0.000 0.448 785 Q N -0.554 118.991 119.800 -0.426 0.000 2.123 785 Q HA -0.073 4.251 4.340 -0.027 0.000 0.199 785 Q C 2.062 177.852 176.000 -0.349 0.000 0.966 785 Q CA 1.415 56.996 55.803 -0.369 0.000 0.845 785 Q CB -0.271 28.227 28.738 -0.400 0.000 0.907 785 Q HN 0.508 nan 8.270 nan 0.000 0.439 786 V N 1.014 120.666 119.914 -0.437 0.000 2.358 786 V HA -0.245 3.859 4.120 -0.027 0.000 0.246 786 V C 2.232 178.236 176.094 -0.149 0.000 1.047 786 V CA 1.851 63.986 62.300 -0.275 0.000 1.035 786 V CB -0.869 30.810 31.823 -0.240 0.000 0.658 786 V HN 0.373 nan 8.190 nan 0.000 0.452 787 A N 0.093 122.670 122.820 -0.406 0.000 2.015 787 A HA -0.192 4.112 4.320 -0.027 0.000 0.219 787 A C 2.185 179.711 177.584 -0.096 0.000 1.163 787 A CA 1.854 53.611 52.037 -0.467 0.000 0.646 787 A CB -0.295 18.382 19.000 -0.539 0.000 0.806 787 A HN 0.662 nan 8.150 nan 0.000 0.448 788 E N 0.097 120.262 120.200 -0.058 0.000 2.166 788 E HA -0.031 4.303 4.350 -0.027 0.000 0.192 788 E C 0.166 176.875 176.600 0.181 0.000 0.967 788 E CA 0.382 56.799 56.400 0.028 0.000 0.840 788 E CB -0.001 29.638 29.700 -0.103 0.000 0.795 788 E HN 0.309 nan 8.360 nan 0.000 0.470 789 D N 0.328 120.792 120.400 0.108 0.000 2.295 789 D HA 0.094 4.717 4.640 -0.027 0.000 0.248 789 D C -1.835 174.390 176.300 -0.124 0.000 1.154 789 D CA -2.220 51.791 54.000 0.018 0.000 0.857 789 D CB 1.734 42.495 40.800 -0.066 0.000 1.117 789 D HN -0.004 nan 8.370 nan 0.000 0.468 790 P HA -0.075 nan 4.420 nan 0.000 0.217 790 P C 1.013 178.022 177.300 -0.484 0.000 1.151 790 P CA 0.942 63.640 63.100 -0.669 0.000 0.828 790 P CB 0.342 31.933 31.700 -0.181 0.000 0.788 791 Q N -1.219 118.445 119.800 -0.227 0.000 2.500 791 Q HA -0.014 4.310 4.340 -0.027 0.000 0.213 791 Q C 1.640 177.575 176.000 -0.109 0.000 0.974 791 Q CA 0.696 56.419 55.803 -0.134 0.000 0.918 791 Q CB -0.284 28.407 28.738 -0.078 0.000 0.980 791 Q HN 0.341 nan 8.270 nan 0.000 0.505 792 L N -1.549 119.588 121.223 -0.142 0.000 2.379 792 L HA -0.035 4.288 4.340 -0.027 0.000 0.190 792 L C 2.161 179.059 176.870 0.047 0.000 1.111 792 L CA 0.275 55.090 54.840 -0.043 0.000 0.820 792 L CB -0.606 41.422 42.059 -0.051 0.000 1.046 792 L HN 0.206 nan 8.230 nan 0.000 0.485 793 Y N 0.101 120.481 120.300 0.134 0.000 2.224 793 Y HA -0.190 4.343 4.550 -0.029 0.000 0.289 793 Y C 2.633 178.755 175.900 0.370 0.000 1.146 793 Y CA 0.986 59.253 58.100 0.278 0.000 1.182 793 Y CB -1.634 37.040 38.460 0.357 0.000 0.983 793 Y HN 0.192 nan 8.280 nan 0.000 0.524 794 S N -0.831 114.932 115.700 0.105 0.000 2.507 794 S HA -0.105 4.349 4.470 -0.027 0.000 0.235 794 S C 0.640 175.360 174.600 0.199 0.000 0.988 794 S CA 0.393 58.689 58.200 0.160 0.000 0.944 794 S CB -0.485 62.678 63.200 -0.062 0.000 0.762 794 S HN 0.448 nan 8.310 nan 0.000 0.526 795 E N 2.007 122.328 120.200 0.202 0.000 2.223 795 E HA 0.150 4.484 4.350 -0.027 0.000 0.282 795 E C 0.401 177.181 176.600 0.300 0.000 1.046 795 E CA -0.046 56.468 56.400 0.191 0.000 0.857 795 E CB 1.316 31.084 29.700 0.113 0.000 1.055 795 E HN 0.339 nan 8.360 nan 0.000 0.409 796 D N 3.833 124.414 120.400 0.302 0.000 2.103 796 D HA -0.219 4.405 4.640 -0.027 0.000 0.190 796 D C 1.602 178.005 176.300 0.172 0.000 0.997 796 D CA 2.202 56.405 54.000 0.338 0.000 0.833 796 D CB 0.277 41.232 40.800 0.258 0.000 0.961 796 D HN 0.524 nan 8.370 nan 0.000 0.447 797 A N -0.917 121.980 122.820 0.128 0.000 1.933 797 A HA -0.128 4.176 4.320 -0.027 0.000 0.218 797 A C 2.365 180.004 177.584 0.092 0.000 1.175 797 A CA 2.161 54.249 52.037 0.086 0.000 0.628 797 A CB -0.899 18.143 19.000 0.069 0.000 0.814 797 A HN 0.341 nan 8.150 nan 0.000 0.444 798 T N -0.461 114.165 114.554 0.120 0.000 2.821 798 T HA -0.078 4.256 4.350 -0.027 0.000 0.267 798 T C 2.243 177.040 174.700 0.162 0.000 1.046 798 T CA 1.650 63.833 62.100 0.139 0.000 1.139 798 T CB -0.198 68.753 68.868 0.138 0.000 0.871 798 T HN 0.437 nan 8.240 nan 0.000 0.454 799 S N 0.346 116.135 115.700 0.149 0.000 2.371 799 S HA 0.033 4.487 4.470 -0.027 0.000 0.224 799 S C 2.122 176.702 174.600 -0.034 0.000 1.029 799 S CA 0.583 58.834 58.200 0.085 0.000 0.978 799 S CB -0.121 62.989 63.200 -0.150 0.000 0.833 799 S HN 0.369 nan 8.310 nan 0.000 0.466 800 R N 1.056 121.521 120.500 -0.057 0.000 2.083 800 R HA -0.110 4.214 4.340 -0.027 0.000 0.237 800 R C 2.323 178.641 176.300 0.031 0.000 1.137 800 R CA 1.477 57.552 56.100 -0.040 0.000 0.951 800 R CB -0.448 29.841 30.300 -0.019 0.000 0.851 800 R HN 0.382 nan 8.270 nan 0.000 0.434 801 A N 0.488 123.347 122.820 0.065 0.000 1.873 801 A HA -0.079 4.225 4.320 -0.027 0.000 0.215 801 A C 2.330 179.994 177.584 0.133 0.000 1.186 801 A CA 1.630 53.723 52.037 0.092 0.000 0.616 801 A CB -0.758 18.300 19.000 0.096 0.000 0.823 801 A HN 0.530 nan 8.150 nan 0.000 0.442 802 A N -0.947 121.978 122.820 0.175 0.000 1.902 802 A HA -0.013 4.291 4.320 -0.027 0.000 0.217 802 A C 2.296 180.000 177.584 0.200 0.000 1.181 802 A CA 1.766 53.936 52.037 0.222 0.000 0.623 802 A CB -0.999 18.171 19.000 0.283 0.000 0.818 802 A HN 0.642 nan 8.150 nan 0.000 0.443 803 V N -0.085 119.937 119.914 0.180 0.000 2.667 803 V HA -0.041 4.062 4.120 -0.027 0.000 0.252 803 V C 2.436 178.609 176.094 0.133 0.000 1.065 803 V CA 1.886 64.254 62.300 0.113 0.000 1.083 803 V CB -0.664 31.127 31.823 -0.054 0.000 0.692 803 V HN 0.574 nan 8.190 nan 0.000 0.468 804 G N -0.402 108.485 108.800 0.146 0.000 2.422 804 G HA2 -0.215 3.729 3.960 -0.027 0.000 0.218 804 G HA3 -0.215 3.729 3.960 -0.027 0.000 0.218 804 G C 1.531 176.561 174.900 0.216 0.000 1.146 804 G CA 1.078 46.302 45.100 0.206 0.000 0.769 804 G HN 0.497 nan 8.290 nan 0.000 0.547 805 L N 0.030 121.339 121.223 0.143 0.000 2.056 805 L HA 0.018 4.342 4.340 -0.027 0.000 0.207 805 L C 2.878 179.790 176.870 0.070 0.000 1.078 805 L CA 0.555 55.455 54.840 0.100 0.000 0.749 805 L CB -0.349 41.741 42.059 0.052 0.000 0.901 805 L HN 0.207 nan 8.230 nan 0.000 0.433 806 I N -0.046 120.543 120.570 0.031 0.000 2.113 806 I HA -0.300 3.854 4.170 -0.027 0.000 0.242 806 I C 2.527 178.779 176.117 0.225 0.000 1.064 806 I CA 1.866 63.209 61.300 0.072 0.000 1.320 806 I CB -0.846 37.202 38.000 0.079 0.000 1.028 806 I HN 0.314 nan 8.210 nan 0.000 0.406 807 G N -0.231 108.634 108.800 0.108 0.000 2.403 807 G HA2 -0.183 3.761 3.960 -0.027 0.000 0.216 807 G HA3 -0.183 3.761 3.960 -0.027 0.000 0.216 807 G C 1.221 176.127 174.900 0.011 0.000 1.154 807 G CA 0.589 45.590 45.100 -0.165 0.000 0.784 807 G HN 0.279 nan 8.290 nan 0.000 0.538 808 D N 0.770 121.374 120.400 0.341 0.000 2.117 808 D HA -0.047 4.577 4.640 -0.027 0.000 0.198 808 D C 2.541 178.996 176.300 0.258 0.000 0.982 808 D CA 0.396 54.617 54.000 0.368 0.000 0.828 808 D CB -0.155 40.826 40.800 0.303 0.000 0.967 808 D HN 0.350 nan 8.370 nan 0.000 0.464 809 I N 1.139 121.870 120.570 0.269 0.000 2.226 809 I HA -0.264 3.890 4.170 -0.027 0.000 0.245 809 I C 2.453 178.819 176.117 0.415 0.000 1.100 809 I CA 0.940 62.466 61.300 0.377 0.000 1.374 809 I CB -0.261 37.969 38.000 0.382 0.000 1.057 809 I HN -0.075 nan 8.210 nan 0.000 0.413 810 A N 1.016 123.991 122.820 0.258 0.000 1.873 810 A HA -0.244 4.060 4.320 -0.027 0.000 0.218 810 A C 2.555 180.122 177.584 -0.029 0.000 1.193 810 A CA 2.181 54.177 52.037 -0.067 0.000 0.629 810 A CB -0.990 17.758 19.000 -0.419 0.000 0.826 810 A HN 0.441 nan 8.150 nan 0.000 0.447 811 A N -1.094 121.712 122.820 -0.022 0.000 2.019 811 A HA -0.081 4.223 4.320 -0.027 0.000 0.219 811 A C 2.188 179.799 177.584 0.045 0.000 1.164 811 A CA 1.731 53.782 52.037 0.023 0.000 0.644 811 A CB -0.519 18.579 19.000 0.163 0.000 0.805 811 A HN 0.557 nan 8.150 nan 0.000 0.449 812 M N -2.123 117.507 119.600 0.049 0.000 2.419 812 M HA 0.078 4.542 4.480 -0.027 0.000 0.264 812 M C -0.499 175.544 176.300 -0.429 0.000 1.082 812 M CA 0.913 56.118 55.300 -0.157 0.000 1.119 812 M CB 0.178 32.677 32.600 -0.169 0.000 1.398 812 M HN 0.369 nan 8.290 nan 0.000 0.453 813 F N 0.073 120.078 119.950 0.091 0.000 2.622 813 F HA 0.307 4.816 4.527 -0.030 0.000 0.338 813 F C -1.806 174.015 175.800 0.035 0.000 1.334 813 F CA -1.901 56.155 58.000 0.095 0.000 1.179 813 F CB 0.452 39.556 39.000 0.175 0.000 1.471 813 F HN -0.083 nan 8.300 nan 0.000 0.576 814 P HA -0.056 nan 4.420 nan 0.000 0.245 814 P C 0.568 177.904 177.300 0.060 0.000 1.212 814 P CA 0.738 63.869 63.100 0.051 0.000 0.774 814 P CB 0.144 31.855 31.700 0.018 0.000 0.999 815 D N -0.874 119.588 120.400 0.105 0.000 2.349 815 D HA 0.057 4.681 4.640 -0.027 0.000 0.224 815 D C 1.485 177.831 176.300 0.077 0.000 1.029 815 D CA 0.571 54.619 54.000 0.080 0.000 0.879 815 D CB -1.027 39.822 40.800 0.083 0.000 0.906 815 D HN 0.198 nan 8.370 nan 0.000 0.528 816 G N 0.381 109.238 108.800 0.094 0.000 2.148 816 G HA2 -0.351 3.593 3.960 -0.027 0.000 0.254 816 G HA3 -0.351 3.593 3.960 -0.027 0.000 0.254 816 G C 1.062 176.021 174.900 0.099 0.000 0.981 816 G CA 0.830 45.975 45.100 0.074 0.000 0.670 816 G HN 0.661 nan 8.290 nan 0.000 0.528 817 S N -0.463 115.328 115.700 0.153 0.000 2.561 817 S HA 0.260 4.714 4.470 -0.027 0.000 0.225 817 S C 1.734 176.481 174.600 0.246 0.000 0.977 817 S CA 1.162 59.473 58.200 0.185 0.000 0.926 817 S CB -0.241 63.066 63.200 0.178 0.000 0.769 817 S HN 1.541 nan 8.310 nan 0.000 0.533 818 I N -2.026 118.673 120.570 0.214 0.000 3.994 818 I HA 0.400 4.554 4.170 -0.027 0.000 0.323 818 I C 1.200 177.524 176.117 0.345 0.000 1.501 818 I CA -0.695 60.777 61.300 0.287 0.000 1.112 818 I CB 0.236 38.355 38.000 0.199 0.000 1.254 818 I HN 0.076 nan 8.210 nan 0.000 0.495 819 K N 1.410 121.921 120.400 0.185 0.000 2.283 819 K HA -0.113 4.191 4.320 -0.027 0.000 0.202 819 K C 1.703 178.369 176.600 0.109 0.000 1.048 819 K CA 1.277 57.667 56.287 0.171 0.000 0.948 819 K CB -0.209 32.324 32.500 0.056 0.000 0.742 819 K HN 0.571 nan 8.250 nan 0.000 0.458 820 Q N 0.860 120.622 119.800 -0.064 0.000 2.291 820 Q HA -0.137 4.187 4.340 -0.027 0.000 0.205 820 Q C 1.469 177.263 176.000 -0.343 0.000 0.970 820 Q CA 1.222 56.892 55.803 -0.222 0.000 0.876 820 Q CB -0.544 27.997 28.738 -0.328 0.000 0.935 820 Q HN 0.414 nan 8.270 nan 0.000 0.455 821 F N -0.031 119.740 119.950 -0.297 0.000 2.407 821 F HA -0.021 4.493 4.527 -0.022 0.000 0.299 821 F C 1.242 176.612 175.800 -0.716 0.000 1.097 821 F CA 0.744 58.335 58.000 -0.682 0.000 1.422 821 F CB -0.211 37.984 39.000 -1.343 0.000 1.067 821 F HN 0.021 nan 8.300 nan 0.000 0.539 822 Y N -1.353 118.865 120.300 -0.138 0.000 2.462 822 Y HA 0.255 4.787 4.550 -0.029 0.000 0.261 822 Y C 2.188 178.014 175.900 -0.123 0.000 1.146 822 Y CA 0.277 58.311 58.100 -0.110 0.000 1.283 822 Y CB -0.095 38.335 38.460 -0.050 0.000 1.090 822 Y HN -0.061 nan 8.280 nan 0.000 0.526 823 G N -0.508 108.274 108.800 -0.031 0.000 3.337 823 G HA2 0.071 4.015 3.960 -0.027 0.000 0.246 823 G HA3 0.071 4.015 3.960 -0.027 0.000 0.246 823 G C 0.162 175.007 174.900 -0.092 0.000 1.131 823 G CA -0.250 44.820 45.100 -0.050 0.000 0.773 823 G HN 0.202 nan 8.290 nan 0.000 0.544 824 Q N 0.543 120.242 119.800 -0.169 0.000 2.286 824 Q HA 0.142 4.466 4.340 -0.027 0.000 0.257 824 Q C 0.295 176.187 176.000 -0.181 0.000 0.941 824 Q CA -0.612 55.082 55.803 -0.181 0.000 0.912 824 Q CB 1.434 29.987 28.738 -0.309 0.000 1.192 824 Q HN 0.063 nan 8.270 nan 0.000 0.410 825 D N 2.847 123.221 120.400 -0.043 0.000 2.116 825 D HA -0.221 4.403 4.640 -0.027 0.000 0.193 825 D C 1.692 178.015 176.300 0.038 0.000 0.998 825 D CA 1.353 55.358 54.000 0.009 0.000 0.836 825 D CB -0.188 40.650 40.800 0.063 0.000 0.951 825 D HN 0.783 nan 8.370 nan 0.000 0.449 826 W N 1.504 122.824 121.300 0.033 0.000 2.342 826 W HA -0.179 4.462 4.660 -0.032 0.000 0.297 826 W C 1.505 178.076 176.519 0.087 0.000 1.213 826 W CA 0.678 58.049 57.345 0.043 0.000 1.251 826 W CB -1.103 28.370 29.460 0.021 0.000 1.136 826 W HN -0.150 nan 8.180 nan 0.000 0.526 827 V N 2.329 121.780 119.914 -0.770 0.000 2.270 827 V HA -0.309 3.795 4.120 -0.027 0.000 0.245 827 V C 2.675 178.651 176.094 -0.197 0.000 1.043 827 V CA 2.178 64.052 62.300 -0.710 0.000 1.014 827 V CB -1.004 30.306 31.823 -0.854 0.000 0.645 827 V HN 0.087 nan 8.190 nan 0.000 0.447 828 I N 0.472 120.951 120.570 -0.153 0.000 2.118 828 I HA -0.289 3.865 4.170 -0.027 0.000 0.241 828 I C 2.330 178.440 176.117 -0.011 0.000 1.070 828 I CA 1.905 63.171 61.300 -0.056 0.000 1.327 828 I CB -0.537 37.437 38.000 -0.044 0.000 1.034 828 I HN 0.319 nan 8.210 nan 0.000 0.405 829 D N -0.279 120.137 120.400 0.027 0.000 2.144 829 D HA -0.215 4.408 4.640 -0.027 0.000 0.200 829 D C 1.941 178.295 176.300 0.090 0.000 0.978 829 D CA 1.206 55.241 54.000 0.058 0.000 0.833 829 D CB -0.340 40.510 40.800 0.084 0.000 0.961 829 D HN 0.353 nan 8.370 nan 0.000 0.470 830 Y N 1.238 121.545 120.300 0.012 0.000 2.242 830 Y HA -0.093 4.438 4.550 -0.033 0.000 0.291 830 Y C 2.072 177.963 175.900 -0.015 0.000 1.137 830 Y CA 0.872 58.980 58.100 0.013 0.000 1.181 830 Y CB -0.365 38.156 38.460 0.102 0.000 0.989 830 Y HN -0.089 nan 8.280 nan 0.000 0.527 831 I N -0.012 120.485 120.570 -0.121 0.000 2.179 831 I HA -0.326 3.828 4.170 -0.027 0.000 0.242 831 I C 2.273 178.296 176.117 -0.157 0.000 1.088 831 I CA 1.630 62.819 61.300 -0.185 0.000 1.357 831 I CB -0.322 37.630 38.000 -0.079 0.000 1.051 831 I HN 0.040 nan 8.210 nan 0.000 0.409 832 K N 0.478 120.829 120.400 -0.083 0.000 2.103 832 K HA -0.130 4.174 4.320 -0.027 0.000 0.207 832 K C 2.181 178.752 176.600 -0.048 0.000 1.048 832 K CA 1.245 57.502 56.287 -0.051 0.000 0.930 832 K CB -0.060 32.426 32.500 -0.022 0.000 0.716 832 K HN 0.220 nan 8.250 nan 0.000 0.444 833 R N -0.587 119.874 120.500 -0.065 0.000 2.092 833 R HA -0.044 4.280 4.340 -0.027 0.000 0.231 833 R C 2.029 178.357 176.300 0.047 0.000 1.119 833 R CA 1.617 57.712 56.100 -0.008 0.000 0.970 833 R CB -0.364 29.932 30.300 -0.006 0.000 0.864 833 R HN 0.207 nan 8.270 nan 0.000 0.440 834 T N 0.754 115.186 114.554 -0.203 0.000 2.904 834 T HA 0.004 4.337 4.350 -0.027 0.000 0.267 834 T C 1.825 176.428 174.700 -0.162 0.000 1.059 834 T CA 0.612 62.473 62.100 -0.399 0.000 1.137 834 T CB -0.005 68.454 68.868 -0.681 0.000 0.879 834 T HN 0.171 nan 8.240 nan 0.000 0.467 835 R N 1.250 121.695 120.500 -0.091 0.000 2.073 835 R HA -0.005 4.318 4.340 -0.027 0.000 0.234 835 R C 2.809 179.137 176.300 0.047 0.000 1.134 835 R CA 1.499 57.586 56.100 -0.022 0.000 0.952 835 R CB -0.571 29.713 30.300 -0.028 0.000 0.850 835 R HN 0.357 nan 8.270 nan 0.000 0.433 836 S N 0.031 115.768 115.700 0.062 0.000 2.336 836 S HA -0.007 4.447 4.470 -0.027 0.000 0.216 836 S C 1.260 175.935 174.600 0.126 0.000 1.032 836 S CA 0.533 58.775 58.200 0.070 0.000 0.973 836 S CB -0.639 62.582 63.200 0.035 0.000 0.888 836 S HN 0.539 nan 8.310 nan 0.000 0.455 837 G N 3.933 112.866 108.800 0.221 0.000 2.888 837 G HA2 -0.167 3.777 3.960 -0.027 0.000 0.311 837 G HA3 -0.167 3.777 3.960 -0.027 0.000 0.311 837 G C 0.669 175.550 174.900 -0.032 0.000 0.310 837 G CA -0.001 45.173 45.100 0.124 0.000 1.201 837 G HN 0.330 nan 8.290 nan 0.000 0.194 838 Q N 1.568 121.312 119.800 -0.093 0.000 2.197 838 Q HA -0.149 4.175 4.340 -0.027 0.000 0.207 838 Q C 2.309 178.252 176.000 -0.094 0.000 0.984 838 Q CA 1.215 56.976 55.803 -0.070 0.000 0.869 838 Q CB -0.086 28.607 28.738 -0.074 0.000 0.906 838 Q HN 0.794 nan 8.270 nan 0.000 0.426 839 L N -0.052 121.034 121.223 -0.229 0.000 2.791 839 L HA 0.215 4.539 4.340 -0.027 0.000 0.239 839 L C -0.296 176.449 176.870 -0.209 0.000 1.203 839 L CA -0.484 54.236 54.840 -0.200 0.000 1.002 839 L CB 0.059 41.999 42.059 -0.198 0.000 1.295 839 L HN -0.092 nan 8.230 nan 0.000 0.504 840 F N -0.081 119.887 119.950 0.029 0.000 2.379 840 F HA 0.341 4.851 4.527 -0.028 0.000 0.332 840 F C 1.234 177.048 175.800 0.023 0.000 1.096 840 F CA -1.267 56.750 58.000 0.029 0.000 1.105 840 F CB 1.155 40.167 39.000 0.020 0.000 1.189 840 F HN -0.061 nan 8.300 nan 0.000 0.515 841 S N 0.849 116.694 115.700 0.242 0.000 2.624 841 S HA 0.141 4.595 4.470 -0.027 0.000 0.263 841 S C 0.812 175.473 174.600 0.101 0.000 1.287 841 S CA -0.566 57.714 58.200 0.132 0.000 0.990 841 S CB 1.100 64.361 63.200 0.100 0.000 0.950 841 S HN 0.621 nan 8.310 nan 0.000 0.561 842 Q N 0.672 120.511 119.800 0.066 0.000 2.291 842 Q HA 0.118 4.442 4.340 -0.027 0.000 0.205 842 Q C 1.999 178.016 176.000 0.028 0.000 0.970 842 Q CA 1.645 57.475 55.803 0.046 0.000 0.876 842 Q CB -0.864 27.895 28.738 0.035 0.000 0.935 842 Q HN 0.900 nan 8.270 nan 0.000 0.455 843 A N -1.238 121.597 122.820 0.025 0.000 1.968 843 A HA -0.081 4.223 4.320 -0.027 0.000 0.217 843 A C 2.121 179.703 177.584 -0.003 0.000 1.169 843 A CA 1.608 53.648 52.037 0.006 0.000 0.638 843 A CB -0.506 18.495 19.000 0.003 0.000 0.812 843 A HN 0.407 nan 8.150 nan 0.000 0.446 844 T N -0.023 114.534 114.554 0.004 0.000 2.904 844 T HA -0.058 4.276 4.350 -0.027 0.000 0.267 844 T C 1.873 176.528 174.700 -0.075 0.000 1.059 844 T CA 1.534 63.603 62.100 -0.051 0.000 1.137 844 T CB -0.087 68.741 68.868 -0.067 0.000 0.879 844 T HN 0.526 nan 8.240 nan 0.000 0.467 845 K N 0.960 121.350 120.400 -0.016 0.000 2.062 845 K HA -0.050 4.254 4.320 -0.027 0.000 0.205 845 K C 2.031 178.633 176.600 0.003 0.000 1.051 845 K CA 1.268 57.550 56.287 -0.008 0.000 0.941 845 K CB -0.119 32.401 32.500 0.033 0.000 0.719 845 K HN 0.137 nan 8.250 nan 0.000 0.440 846 D N 0.242 120.650 120.400 0.014 0.000 2.149 846 D HA -0.122 4.502 4.640 -0.027 0.000 0.198 846 D C 1.727 178.065 176.300 0.063 0.000 0.990 846 D CA 1.322 55.340 54.000 0.030 0.000 0.839 846 D CB -0.227 40.578 40.800 0.009 0.000 0.948 846 D HN 0.126 nan 8.370 nan 0.000 0.460 847 T N -0.121 114.458 114.554 0.042 0.000 2.821 847 T HA -0.079 4.255 4.350 -0.027 0.000 0.267 847 T C 1.975 176.765 174.700 0.150 0.000 1.046 847 T CA 1.288 63.449 62.100 0.102 0.000 1.139 847 T CB -0.281 68.612 68.868 0.040 0.000 0.871 847 T HN 0.185 nan 8.240 nan 0.000 0.454 848 A N 1.790 124.626 122.820 0.027 0.000 1.930 848 A HA -0.070 4.234 4.320 -0.027 0.000 0.217 848 A C 2.332 179.927 177.584 0.018 0.000 1.175 848 A CA 1.225 53.248 52.037 -0.023 0.000 0.627 848 A CB -0.547 18.380 19.000 -0.123 0.000 0.815 848 A HN 0.289 nan 8.150 nan 0.000 0.443 849 R N -0.774 119.755 120.500 0.049 0.000 2.091 849 R HA -0.203 4.121 4.340 -0.027 0.000 0.238 849 R C 2.181 178.545 176.300 0.107 0.000 1.136 849 R CA 1.977 58.114 56.100 0.062 0.000 0.959 849 R CB -0.529 29.812 30.300 0.069 0.000 0.856 849 R HN 0.882 nan 8.270 nan 0.000 0.437 850 W N 1.036 122.323 121.300 -0.022 0.000 2.358 850 W HA -0.195 4.448 4.660 -0.027 0.000 0.303 850 W C 1.578 178.096 176.519 -0.001 0.000 1.208 850 W CA 1.532 58.869 57.345 -0.013 0.000 1.274 850 W CB -0.366 29.084 29.460 -0.016 0.000 1.138 850 W HN 0.151 nan 8.180 nan 0.000 0.515 851 A N 1.198 123.915 122.820 -0.170 0.000 1.969 851 A HA -0.207 4.097 4.320 -0.027 0.000 0.218 851 A C 1.948 179.430 177.584 -0.169 0.000 1.169 851 A CA 1.975 53.861 52.037 -0.253 0.000 0.635 851 A CB -0.834 18.141 19.000 -0.041 0.000 0.810 851 A HN 0.300 nan 8.150 nan 0.000 0.445 852 R N 0.462 120.905 120.500 -0.096 0.000 2.075 852 R HA -0.083 4.241 4.340 -0.027 0.000 0.232 852 R C 1.819 178.061 176.300 -0.096 0.000 1.126 852 R CA 2.098 58.157 56.100 -0.068 0.000 0.963 852 R CB -0.610 29.667 30.300 -0.038 0.000 0.858 852 R HN 0.674 nan 8.270 nan 0.000 0.435 853 E N -0.403 119.727 120.200 -0.118 0.000 2.106 853 E HA -0.174 4.160 4.350 -0.027 0.000 0.192 853 E C 1.970 178.440 176.600 -0.216 0.000 0.984 853 E CA 1.011 57.337 56.400 -0.124 0.000 0.806 853 E CB 0.030 29.690 29.700 -0.066 0.000 0.750 853 E HN 0.297 nan 8.360 nan 0.000 0.458 854 Q N 0.391 119.963 119.800 -0.381 0.000 2.123 854 Q HA -0.149 4.175 4.340 -0.027 0.000 0.199 854 Q C 2.073 177.863 176.000 -0.350 0.000 0.966 854 Q CA 1.035 56.563 55.803 -0.457 0.000 0.845 854 Q CB -0.254 28.038 28.738 -0.742 0.000 0.907 854 Q HN 0.317 nan 8.270 nan 0.000 0.439 855 Q N 1.215 120.877 119.800 -0.231 0.000 2.050 855 Q HA -0.147 4.177 4.340 -0.027 0.000 0.202 855 Q C 1.748 177.690 176.000 -0.097 0.000 0.980 855 Q CA 1.270 57.013 55.803 -0.101 0.000 0.840 855 Q CB 0.100 28.889 28.738 0.084 0.000 0.898 855 Q HN 0.294 nan 8.270 nan 0.000 0.424 856 K N -0.007 120.339 120.400 -0.091 0.000 2.103 856 K HA -0.138 4.166 4.320 -0.027 0.000 0.207 856 K C 2.315 178.864 176.600 -0.085 0.000 1.048 856 K CA 1.209 57.454 56.287 -0.070 0.000 0.930 856 K CB -0.098 32.367 32.500 -0.058 0.000 0.716 856 K HN 0.164 nan 8.250 nan 0.000 0.444 857 R N 0.540 120.967 120.500 -0.122 0.000 2.105 857 R HA -0.120 4.204 4.340 -0.027 0.000 0.239 857 R C 2.371 178.597 176.300 -0.123 0.000 1.135 857 R CA 1.158 57.187 56.100 -0.118 0.000 0.967 857 R CB -0.032 30.181 30.300 -0.144 0.000 0.861 857 R HN 0.211 nan 8.270 nan 0.000 0.442 858 Q N 0.403 120.094 119.800 -0.182 0.000 2.167 858 Q HA -0.088 4.235 4.340 -0.027 0.000 0.202 858 Q C 2.200 178.155 176.000 -0.075 0.000 0.970 858 Q CA 1.158 56.853 55.803 -0.180 0.000 0.855 858 Q CB 0.007 28.511 28.738 -0.390 0.000 0.911 858 Q HN 0.415 nan 8.270 nan 0.000 0.438 859 L N -0.097 121.094 121.223 -0.054 0.000 2.156 859 L HA -0.089 4.235 4.340 -0.027 0.000 0.208 859 L C 2.324 179.177 176.870 -0.027 0.000 1.095 859 L CA 0.768 55.593 54.840 -0.025 0.000 0.770 859 L CB -0.418 41.629 42.059 -0.020 0.000 0.914 859 L HN 0.026 nan 8.230 nan 0.000 0.439 860 S N 0.226 115.905 115.700 -0.035 0.000 2.399 860 S HA 0.005 4.458 4.470 -0.027 0.000 0.231 860 S C 1.106 175.693 174.600 -0.023 0.000 1.022 860 S CA 0.695 58.879 58.200 -0.028 0.000 0.983 860 S CB -0.308 62.873 63.200 -0.031 0.000 0.803 860 S HN 0.159 nan 8.310 nan 0.000 0.480 861 L N 0.000 121.208 121.223 -0.026 0.000 2.949 861 L HA 0.000 4.324 4.340 -0.027 0.000 0.249 861 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 861 L CB 0.000 42.051 42.059 -0.014 0.000 0.961 861 L HN 0.000 nan 8.230 nan 0.000 0.502