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 2bpt_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 IMSKYYTFMK PYMEQALYAL TIATMKSPND KVASMTVEFW STICEEEIDI DATA SEQUENCE AYELAQFPQS PLQSYNFALS SIKDVVPNLL NLLTRQNEDX 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 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.648 32.600 0.080 0.000 1.302 2 S N 1.566 117.280 115.700 0.023 0.000 2.669 2 S HA 0.456 4.927 4.470 0.001 0.000 0.270 2 S C 0.672 175.291 174.600 0.032 0.000 1.225 2 S CA 0.022 58.228 58.200 0.010 0.000 0.991 2 S CB 1.409 64.616 63.200 0.012 0.000 0.987 2 S HN 0.762 nan 8.310 nan 0.000 0.552 3 T N 1.596 116.155 114.554 0.008 0.000 2.720 3 T HA -0.089 4.262 4.350 0.001 0.000 0.268 3 T C 2.106 176.850 174.700 0.073 0.000 1.037 3 T CA 1.712 63.830 62.100 0.029 0.000 1.144 3 T CB -0.889 67.976 68.868 -0.005 0.000 0.864 3 T HN 0.810 nan 8.240 nan 0.000 0.444 4 A N 1.518 124.365 122.820 0.044 0.000 1.898 4 A HA -0.108 4.213 4.320 0.001 0.000 0.216 4 A C 2.200 179.812 177.584 0.047 0.000 1.181 4 A CA 1.527 53.586 52.037 0.036 0.000 0.620 4 A CB -0.468 18.544 19.000 0.019 0.000 0.819 4 A HN 0.572 nan 8.150 nan 0.000 0.442 5 E N -1.499 118.738 120.200 0.062 0.000 2.072 5 E HA -0.135 4.216 4.350 0.001 0.000 0.191 5 E C 1.748 178.405 176.600 0.094 0.000 0.985 5 E CA 1.125 57.565 56.400 0.065 0.000 0.801 5 E CB -0.248 29.493 29.700 0.069 0.000 0.750 5 E HN 0.655 nan 8.360 nan 0.000 0.452 6 F N 1.639 121.574 119.950 -0.025 0.000 2.102 6 F HA -0.155 4.373 4.527 0.001 0.000 0.298 6 F C 2.276 178.054 175.800 -0.035 0.000 1.105 6 F CA 1.329 59.310 58.000 -0.032 0.000 1.239 6 F CB -0.395 38.568 39.000 -0.062 0.000 0.991 6 F HN -0.051 nan 8.300 nan 0.000 0.474 7 A N -0.394 122.468 122.820 0.070 0.000 1.948 7 A HA -0.317 4.004 4.320 0.001 0.000 0.220 7 A C 2.080 179.618 177.584 -0.076 0.000 1.177 7 A CA 2.074 54.098 52.037 -0.020 0.000 0.636 7 A CB -0.964 18.048 19.000 0.020 0.000 0.815 7 A HN 0.519 nan 8.150 nan 0.000 0.449 8 Q N -0.308 119.460 119.800 -0.053 0.000 2.079 8 Q HA -0.004 4.337 4.340 0.001 0.000 0.200 8 Q C 1.914 177.862 176.000 -0.088 0.000 0.974 8 Q CA 1.449 57.220 55.803 -0.054 0.000 0.840 8 Q CB -0.434 28.290 28.738 -0.025 0.000 0.898 8 Q HN 0.668 nan 8.270 nan 0.000 0.430 9 L N -0.416 120.729 121.223 -0.129 0.000 2.012 9 L HA -0.228 4.113 4.340 0.001 0.000 0.210 9 L C 2.301 179.054 176.870 -0.194 0.000 1.073 9 L CA 1.134 55.879 54.840 -0.159 0.000 0.748 9 L CB -0.510 41.418 42.059 -0.218 0.000 0.891 9 L HN 0.294 nan 8.230 nan 0.000 0.431 10 L N -0.559 120.488 121.223 -0.293 0.000 1.989 10 L HA -0.263 4.078 4.340 0.001 0.000 0.211 10 L C 2.628 179.423 176.870 -0.125 0.000 1.071 10 L CA 1.541 56.239 54.840 -0.237 0.000 0.749 10 L CB -0.542 41.353 42.059 -0.273 0.000 0.890 10 L HN 0.283 nan 8.230 nan 0.000 0.431 11 E N -0.153 119.987 120.200 -0.101 0.000 2.058 11 E HA -0.222 4.129 4.350 0.001 0.000 0.194 11 E C 1.956 178.525 176.600 -0.052 0.000 0.997 11 E CA 1.327 57.690 56.400 -0.062 0.000 0.801 11 E CB -0.210 29.461 29.700 -0.048 0.000 0.746 11 E HN 0.468 nan 8.360 nan 0.000 0.450 12 N N 0.662 119.329 118.700 -0.056 0.000 2.223 12 N HA -0.137 4.603 4.740 0.001 0.000 0.185 12 N C 1.971 177.457 175.510 -0.039 0.000 1.016 12 N CA 1.493 54.518 53.050 -0.042 0.000 0.863 12 N CB -0.408 38.056 38.487 -0.039 0.000 0.983 12 N HN 0.149 nan 8.380 nan 0.000 0.429 13 S N 0.455 116.124 115.700 -0.051 0.000 2.419 13 S HA -0.081 4.390 4.470 0.001 0.000 0.233 13 S C 1.823 176.405 174.600 -0.029 0.000 1.016 13 S CA 0.983 59.159 58.200 -0.040 0.000 0.974 13 S CB -0.424 62.745 63.200 -0.050 0.000 0.786 13 S HN 0.564 nan 8.310 nan 0.000 0.492 14 I N -3.353 117.198 120.570 -0.031 0.000 4.312 14 I HA 0.412 4.583 4.170 0.001 0.000 0.324 14 I C 1.415 177.521 176.117 -0.018 0.000 1.298 14 I CA -0.077 61.209 61.300 -0.022 0.000 1.231 14 I CB 0.080 38.068 38.000 -0.022 0.000 1.152 14 I HN 0.109 nan 8.210 nan 0.000 0.421 15 L N 0.599 121.810 121.223 -0.021 0.000 2.766 15 L HA 0.320 4.661 4.340 0.001 0.000 0.242 15 L C 1.046 177.907 176.870 -0.015 0.000 1.136 15 L CA -0.011 54.819 54.840 -0.017 0.000 0.933 15 L CB 0.478 42.526 42.059 -0.018 0.000 1.241 15 L HN 0.107 nan 8.230 nan 0.000 0.522 16 S N 0.911 116.601 115.700 -0.016 0.000 2.531 16 S HA 0.171 4.642 4.470 0.001 0.000 0.279 16 S C -1.388 173.206 174.600 -0.010 0.000 1.305 16 S CA -1.139 57.053 58.200 -0.013 0.000 1.058 16 S CB 0.983 64.175 63.200 -0.014 0.000 0.899 16 S HN -0.035 nan 8.310 nan 0.000 0.493 17 P HA 0.002 nan 4.420 nan 0.000 0.222 17 P C -0.158 177.139 177.300 -0.005 0.000 1.147 17 P CA 0.677 63.774 63.100 -0.005 0.000 0.790 17 P CB 0.074 31.772 31.700 -0.005 0.000 0.780 18 D N 0.142 120.539 120.400 -0.006 0.000 2.428 18 D HA 0.017 4.658 4.640 0.001 0.000 0.221 18 D C 1.095 177.391 176.300 -0.005 0.000 1.123 18 D CA -0.214 53.783 54.000 -0.005 0.000 0.869 18 D CB 0.730 41.527 40.800 -0.005 0.000 1.032 18 D HN 0.157 nan 8.370 nan 0.000 0.506 19 Q N 2.955 122.753 119.800 -0.004 0.000 2.437 19 Q HA -0.118 4.223 4.340 0.001 0.000 0.210 19 Q C 0.446 176.443 176.000 -0.004 0.000 0.972 19 Q CA 0.756 56.557 55.803 -0.004 0.000 0.903 19 Q CB 0.122 28.858 28.738 -0.003 0.000 0.967 19 Q HN 0.233 nan 8.270 nan 0.000 0.486 20 N N 1.742 120.440 118.700 -0.004 0.000 2.062 20 N HA -0.101 4.640 4.740 0.001 0.000 0.191 20 N C 1.872 177.379 175.510 -0.005 0.000 1.042 20 N CA 1.519 54.568 53.050 -0.003 0.000 0.845 20 N CB -0.340 38.146 38.487 -0.002 0.000 1.024 20 N HN 0.311 nan 8.380 nan 0.000 0.424 21 I N 1.440 122.006 120.570 -0.006 0.000 2.194 21 I HA -0.279 3.892 4.170 0.001 0.000 0.246 21 I C 2.460 178.569 176.117 -0.012 0.000 1.093 21 I CA 1.151 62.446 61.300 -0.009 0.000 1.355 21 I CB -0.223 37.771 38.000 -0.010 0.000 1.046 21 I HN 0.118 nan 8.210 nan 0.000 0.413 22 R N 0.151 120.644 120.500 -0.012 0.000 2.091 22 R HA -0.209 4.132 4.340 0.001 0.000 0.238 22 R C 2.300 178.593 176.300 -0.012 0.000 1.136 22 R CA 1.521 57.612 56.100 -0.014 0.000 0.959 22 R CB -0.523 29.770 30.300 -0.011 0.000 0.856 22 R HN 0.281 nan 8.270 nan 0.000 0.437 23 L N 0.393 121.612 121.223 -0.007 0.000 2.068 23 L HA -0.053 4.288 4.340 0.001 0.000 0.204 23 L C 2.057 178.925 176.870 -0.003 0.000 1.076 23 L CA 1.813 56.651 54.840 -0.004 0.000 0.753 23 L CB -0.593 41.465 42.059 -0.002 0.000 0.910 23 L HN 0.032 nan 8.230 nan 0.000 0.439 24 T N -0.652 113.900 114.554 -0.003 0.000 2.653 24 T HA -0.226 4.125 4.350 0.001 0.000 0.268 24 T C 1.980 176.678 174.700 -0.004 0.000 1.035 24 T CA 1.920 64.019 62.100 -0.001 0.000 1.154 24 T CB -0.367 68.500 68.868 -0.002 0.000 0.862 24 T HN 0.415 nan 8.240 nan 0.000 0.441 25 S N 0.682 116.375 115.700 -0.012 0.000 2.368 25 S HA -0.093 4.378 4.470 0.001 0.000 0.225 25 S C 2.098 176.685 174.600 -0.022 0.000 1.030 25 S CA 1.121 59.306 58.200 -0.025 0.000 0.999 25 S CB -0.257 62.919 63.200 -0.039 0.000 0.844 25 S HN 0.571 nan 8.310 nan 0.000 0.459 26 E N 0.408 120.601 120.200 -0.013 0.000 2.106 26 E HA -0.091 4.260 4.350 0.001 0.000 0.192 26 E C 2.142 178.748 176.600 0.010 0.000 0.984 26 E CA 1.396 57.795 56.400 -0.002 0.000 0.806 26 E CB -0.135 29.565 29.700 0.000 0.000 0.750 26 E HN 0.389 nan 8.360 nan 0.000 0.458 27 T N 0.496 115.055 114.554 0.008 0.000 2.708 27 T HA -0.215 4.136 4.350 0.001 0.000 0.266 27 T C 1.851 176.565 174.700 0.023 0.000 1.037 27 T CA 1.245 63.353 62.100 0.013 0.000 1.146 27 T CB -0.166 68.708 68.868 0.010 0.000 0.865 27 T HN 0.170 nan 8.240 nan 0.000 0.435 28 Q N 0.068 119.883 119.800 0.026 0.000 2.119 28 Q HA -0.003 4.338 4.340 0.001 0.000 0.201 28 Q C 2.316 178.365 176.000 0.081 0.000 0.972 28 Q CA 0.927 56.757 55.803 0.045 0.000 0.847 28 Q CB -0.222 28.537 28.738 0.036 0.000 0.903 28 Q HN 0.489 nan 8.270 nan 0.000 0.433 29 L N 0.387 121.653 121.223 0.071 0.000 2.017 29 L HA -0.224 4.117 4.340 0.001 0.000 0.208 29 L C 2.508 179.467 176.870 0.148 0.000 1.073 29 L CA 1.316 56.252 54.840 0.160 0.000 0.745 29 L CB -0.384 41.731 42.059 0.092 0.000 0.894 29 L HN 0.101 nan 8.230 nan 0.000 0.432 30 K N 0.765 121.193 120.400 0.046 0.000 2.097 30 K HA -0.217 4.104 4.320 0.001 0.000 0.206 30 K C 2.086 178.659 176.600 -0.044 0.000 1.049 30 K CA 1.506 57.772 56.287 -0.036 0.000 0.933 30 K CB -0.160 32.332 32.500 -0.013 0.000 0.717 30 K HN 0.075 nan 8.250 nan 0.000 0.442 31 K N -0.021 120.384 120.400 0.009 0.000 2.057 31 K HA -0.156 4.165 4.320 0.001 0.000 0.207 31 K C 1.982 178.602 176.600 0.034 0.000 1.049 31 K CA 1.421 57.720 56.287 0.019 0.000 0.931 31 K CB -0.226 32.294 32.500 0.033 0.000 0.714 31 K HN 0.168 nan 8.250 nan 0.000 0.440 32 L N 1.404 122.679 121.223 0.087 0.000 2.083 32 L HA -0.155 4.186 4.340 0.001 0.000 0.209 32 L C 2.320 179.226 176.870 0.060 0.000 1.083 32 L CA 2.180 57.105 54.840 0.143 0.000 0.752 32 L CB -0.613 41.636 42.059 0.317 0.000 0.899 32 L HN 0.355 nan 8.230 nan 0.000 0.433 33 S N -1.024 114.542 115.700 -0.225 0.000 2.382 33 S HA -0.171 4.300 4.470 0.001 0.000 0.228 33 S C 1.837 176.405 174.600 -0.054 0.000 1.027 33 S CA 1.323 59.222 58.200 -0.501 0.000 0.991 33 S CB -0.744 61.814 63.200 -1.071 0.000 0.823 33 S HN 0.559 nan 8.310 nan 0.000 0.469 34 N N 1.991 120.659 118.700 -0.054 0.000 2.207 34 N HA 0.004 4.745 4.740 0.001 0.000 0.182 34 N C 1.064 176.593 175.510 0.032 0.000 1.020 34 N CA 1.465 54.511 53.050 -0.006 0.000 0.858 34 N CB -0.447 38.031 38.487 -0.014 0.000 0.991 34 N HN 0.481 nan 8.380 nan 0.000 0.427 35 D N -0.040 120.384 120.400 0.040 0.000 2.216 35 D HA -0.009 4.632 4.640 0.001 0.000 0.208 35 D C 0.282 176.619 176.300 0.062 0.000 0.960 35 D CA 0.906 54.933 54.000 0.045 0.000 0.861 35 D CB 0.006 40.831 40.800 0.041 0.000 0.985 35 D HN 0.067 nan 8.370 nan 0.000 0.493 36 N N -0.090 118.661 118.700 0.085 0.000 2.725 36 N HA 0.012 4.753 4.740 0.001 0.000 0.248 36 N C -0.139 175.448 175.510 0.128 0.000 1.402 36 N CA -0.386 52.715 53.050 0.085 0.000 0.766 36 N CB -0.059 38.456 38.487 0.047 0.000 1.223 36 N HN -0.181 nan 8.380 nan 0.000 0.515 37 F N 2.151 122.116 119.950 0.026 0.000 2.134 37 F HA -0.056 4.472 4.527 0.002 0.000 0.299 37 F C 1.845 177.701 175.800 0.094 0.000 1.097 37 F CA 1.212 59.253 58.000 0.067 0.000 1.264 37 F CB 0.037 39.054 39.000 0.028 0.000 1.001 37 F HN 0.468 nan 8.300 nan 0.000 0.479 38 L N 0.079 121.295 121.223 -0.013 0.000 1.990 38 L HA -0.316 4.025 4.340 0.001 0.000 0.213 38 L C 2.582 179.329 176.870 -0.205 0.000 1.072 38 L CA 2.274 57.028 54.840 -0.144 0.000 0.755 38 L CB -0.659 41.348 42.059 -0.086 0.000 0.889 38 L HN 0.360 nan 8.230 nan 0.000 0.432 39 Q N -1.017 118.700 119.800 -0.139 0.000 2.079 39 Q HA -0.264 4.077 4.340 0.001 0.000 0.200 39 Q C 2.209 178.033 176.000 -0.293 0.000 0.974 39 Q CA 1.873 57.566 55.803 -0.184 0.000 0.840 39 Q CB -0.322 28.346 28.738 -0.116 0.000 0.898 39 Q HN 0.570 nan 8.270 nan 0.000 0.430 40 F N 1.008 120.738 119.950 -0.367 0.000 2.065 40 F HA -0.257 4.271 4.527 0.001 0.000 0.298 40 F C 2.047 177.546 175.800 -0.502 0.000 1.112 40 F CA 1.978 59.727 58.000 -0.419 0.000 1.212 40 F CB -0.652 38.223 39.000 -0.209 0.000 0.975 40 F HN 0.158 nan 8.300 nan 0.000 0.476 41 A N 0.432 122.941 122.820 -0.519 0.000 1.883 41 A HA -0.072 4.248 4.320 0.001 0.000 0.217 41 A C 2.504 179.850 177.584 -0.398 0.000 1.186 41 A CA 1.851 53.588 52.037 -0.499 0.000 0.624 41 A CB -1.880 16.849 19.000 -0.451 0.000 0.822 41 A HN 0.570 nan 8.150 nan 0.000 0.444 42 G N -0.300 108.287 108.800 -0.355 0.000 2.446 42 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 42 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 42 G C 1.583 176.276 174.900 -0.343 0.000 1.168 42 G CA 1.116 46.047 45.100 -0.283 0.000 0.771 42 G HN 0.428 nan 8.290 nan 0.000 0.551 43 L N 0.621 121.526 121.223 -0.530 0.000 2.093 43 L HA -0.063 4.278 4.340 0.001 0.000 0.208 43 L C 3.229 179.768 176.870 -0.552 0.000 1.085 43 L CA 1.065 55.516 54.840 -0.647 0.000 0.755 43 L CB -0.315 41.052 42.059 -1.154 0.000 0.904 43 L HN 0.176 nan 8.230 nan 0.000 0.435 44 S N -0.262 115.054 115.700 -0.639 0.000 2.359 44 S HA -0.228 4.243 4.470 0.001 0.000 0.224 44 S C 2.189 176.694 174.600 -0.157 0.000 1.035 44 S CA 1.750 59.791 58.200 -0.265 0.000 1.018 44 S CB -0.360 62.584 63.200 -0.427 0.000 0.876 44 S HN 0.645 nan 8.310 nan 0.000 0.448 45 S N 1.096 116.685 115.700 -0.186 0.000 2.402 45 S HA -0.093 4.378 4.470 0.001 0.000 0.229 45 S C 1.816 176.366 174.600 -0.082 0.000 1.021 45 S CA 0.700 58.836 58.200 -0.107 0.000 0.974 45 S CB -0.335 62.809 63.200 -0.093 0.000 0.800 45 S HN 0.326 nan 8.310 nan 0.000 0.484 46 Q N 0.780 120.516 119.800 -0.106 0.000 2.123 46 Q HA 0.095 4.436 4.340 0.001 0.000 0.199 46 Q C 2.521 178.501 176.000 -0.033 0.000 0.966 46 Q CA 1.208 56.969 55.803 -0.070 0.000 0.845 46 Q CB -0.698 27.986 28.738 -0.089 0.000 0.907 46 Q HN 0.562 nan 8.270 nan 0.000 0.439 47 V N 1.407 121.313 119.914 -0.012 0.000 2.427 47 V HA -0.219 3.902 4.120 0.001 0.000 0.248 47 V C 2.351 178.447 176.094 0.004 0.000 1.051 47 V CA 1.135 63.450 62.300 0.024 0.000 1.048 47 V CB -0.647 31.231 31.823 0.092 0.000 0.666 47 V HN 0.230 nan 8.190 nan 0.000 0.456 48 L N 1.191 122.408 121.223 -0.009 0.000 2.043 48 L HA -0.176 4.165 4.340 0.001 0.000 0.212 48 L C 2.031 178.897 176.870 -0.007 0.000 1.075 48 L CA 2.438 57.271 54.840 -0.012 0.000 0.752 48 L CB -0.553 41.495 42.059 -0.019 0.000 0.891 48 L HN 0.562 nan 8.230 nan 0.000 0.432 49 I N -3.741 116.823 120.570 -0.009 0.000 3.883 49 I HA 0.215 4.386 4.170 0.001 0.000 0.326 49 I C 0.089 176.203 176.117 -0.004 0.000 1.283 49 I CA -0.196 61.101 61.300 -0.005 0.000 1.161 49 I CB -0.433 37.563 38.000 -0.006 0.000 1.012 49 I HN 0.093 nan 8.210 nan 0.000 0.421 50 D N 2.543 122.941 120.400 -0.004 0.000 2.393 50 D HA 0.048 4.689 4.640 0.001 0.000 0.232 50 D C 1.268 177.568 176.300 -0.001 0.000 1.192 50 D CA -0.070 53.929 54.000 -0.002 0.000 0.882 50 D CB 0.795 41.595 40.800 0.001 0.000 1.038 50 D HN 0.192 nan 8.370 nan 0.000 0.499 51 E N 2.786 122.986 120.200 -0.001 0.000 2.171 51 E HA -0.208 4.143 4.350 0.001 0.000 0.197 51 E C 0.762 177.362 176.600 -0.001 0.000 0.997 51 E CA 0.791 57.191 56.400 -0.001 0.000 0.810 51 E CB -0.028 29.672 29.700 -0.000 0.000 0.738 51 E HN 0.554 nan 8.360 nan 0.000 0.467 52 N N 0.741 119.441 118.700 -0.001 0.000 2.515 52 N HA -0.027 4.714 4.740 0.001 0.000 0.185 52 N C 0.227 175.736 175.510 -0.002 0.000 1.109 52 N CA 0.450 53.500 53.050 -0.001 0.000 0.903 52 N CB 0.200 38.687 38.487 -0.001 0.000 0.969 52 N HN 0.017 nan 8.380 nan 0.000 0.450 53 T N 1.397 115.949 114.554 -0.002 0.000 2.875 53 T HA 0.205 4.556 4.350 0.001 0.000 0.284 53 T C 0.417 175.112 174.700 -0.007 0.000 0.995 53 T CA -0.604 61.493 62.100 -0.005 0.000 1.060 53 T CB 1.688 70.555 68.868 -0.003 0.000 0.967 53 T HN -0.053 nan 8.240 nan 0.000 0.476 54 K N 2.650 123.044 120.400 -0.010 0.000 2.524 54 K HA 0.069 4.389 4.320 0.001 0.000 0.279 54 K C 1.387 177.980 176.600 -0.010 0.000 0.993 54 K CA -0.273 56.008 56.287 -0.010 0.000 1.030 54 K CB 0.412 32.904 32.500 -0.013 0.000 0.891 54 K HN 0.507 nan 8.250 nan 0.000 0.488 55 L N 2.579 123.798 121.223 -0.007 0.000 2.010 55 L HA -0.319 4.021 4.340 0.001 0.000 0.219 55 L C 2.159 179.024 176.870 -0.009 0.000 1.077 55 L CA 1.819 56.655 54.840 -0.006 0.000 0.773 55 L CB -0.308 41.749 42.059 -0.003 0.000 0.892 55 L HN 0.759 nan 8.230 nan 0.000 0.436 56 E N -0.722 119.472 120.200 -0.010 0.000 2.110 56 E HA -0.184 4.167 4.350 0.001 0.000 0.193 56 E C 2.073 178.661 176.600 -0.020 0.000 0.988 56 E CA 0.939 57.331 56.400 -0.013 0.000 0.804 56 E CB -0.255 29.438 29.700 -0.013 0.000 0.745 56 E HN 0.615 nan 8.360 nan 0.000 0.458 57 G N 1.094 109.879 108.800 -0.025 0.000 2.418 57 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 57 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 57 G C 1.542 176.424 174.900 -0.030 0.000 1.158 57 G CA 0.558 45.636 45.100 -0.037 0.000 0.771 57 G HN 0.129 nan 8.290 nan 0.000 0.545 58 R N -0.299 120.190 120.500 -0.018 0.000 2.073 58 R HA 0.142 4.483 4.340 0.001 0.000 0.229 58 R C 2.553 178.845 176.300 -0.015 0.000 1.120 58 R CA 0.833 56.925 56.100 -0.012 0.000 0.967 58 R CB -0.331 29.965 30.300 -0.008 0.000 0.862 58 R HN 0.361 nan 8.270 nan 0.000 0.436 59 I N 0.625 121.186 120.570 -0.014 0.000 2.252 59 I HA -0.260 3.911 4.170 0.001 0.000 0.245 59 I C 2.257 178.363 176.117 -0.019 0.000 1.102 59 I CA 0.833 62.124 61.300 -0.016 0.000 1.385 59 I CB -0.178 37.815 38.000 -0.011 0.000 1.064 59 I HN 0.111 nan 8.210 nan 0.000 0.414 60 L N 1.006 122.217 121.223 -0.020 0.000 2.046 60 L HA -0.162 4.179 4.340 0.001 0.000 0.208 60 L C 2.591 179.451 176.870 -0.017 0.000 1.077 60 L CA 2.064 56.893 54.840 -0.019 0.000 0.747 60 L CB -0.780 41.262 42.059 -0.029 0.000 0.896 60 L HN 0.207 nan 8.230 nan 0.000 0.432 61 A N -0.165 122.640 122.820 -0.024 0.000 1.884 61 A HA -0.279 4.042 4.320 0.001 0.000 0.219 61 A C 2.480 180.047 177.584 -0.027 0.000 1.197 61 A CA 2.637 54.664 52.037 -0.015 0.000 0.637 61 A CB -1.453 17.550 19.000 0.006 0.000 0.827 61 A HN 0.626 nan 8.150 nan 0.000 0.450 62 A N -0.625 122.177 122.820 -0.029 0.000 1.877 62 A HA -0.019 4.302 4.320 0.001 0.000 0.216 62 A C 2.195 179.760 177.584 -0.032 0.000 1.186 62 A CA 1.556 53.571 52.037 -0.037 0.000 0.620 62 A CB -0.610 18.368 19.000 -0.037 0.000 0.822 62 A HN 0.495 nan 8.150 nan 0.000 0.443 63 L N -0.076 121.132 121.223 -0.026 0.000 2.141 63 L HA -0.134 4.207 4.340 0.001 0.000 0.209 63 L C 2.984 179.862 176.870 0.014 0.000 1.094 63 L CA 1.755 56.581 54.840 -0.024 0.000 0.763 63 L CB -0.972 41.072 42.059 -0.026 0.000 0.908 63 L HN 0.680 nan 8.230 nan 0.000 0.437 64 T N -1.877 112.706 114.554 0.049 0.000 2.857 64 T HA -0.162 4.189 4.350 0.001 0.000 0.266 64 T C 1.865 176.682 174.700 0.194 0.000 1.048 64 T CA 0.696 62.872 62.100 0.127 0.000 1.139 64 T CB -0.384 68.594 68.868 0.184 0.000 0.874 64 T HN 0.112 nan 8.240 nan 0.000 0.455 65 L N 1.901 123.207 121.223 0.138 0.000 2.017 65 L HA 0.060 4.401 4.340 0.001 0.000 0.208 65 L C 2.639 179.547 176.870 0.062 0.000 1.073 65 L CA 2.100 57.029 54.840 0.148 0.000 0.745 65 L CB -0.928 41.131 42.059 -0.000 0.000 0.894 65 L HN 0.347 nan 8.230 nan 0.000 0.432 66 K N -0.755 119.642 120.400 -0.005 0.000 2.074 66 K HA -0.233 4.088 4.320 0.001 0.000 0.209 66 K C 1.506 178.081 176.600 -0.042 0.000 1.048 66 K CA 1.868 58.127 56.287 -0.047 0.000 0.926 66 K CB -0.254 32.205 32.500 -0.068 0.000 0.713 66 K HN 0.394 nan 8.250 nan 0.000 0.444 67 N N 0.970 119.662 118.700 -0.013 0.000 2.521 67 N HA -0.051 4.690 4.740 0.001 0.000 0.188 67 N C 0.329 175.750 175.510 -0.148 0.000 1.146 67 N CA 0.592 53.639 53.050 -0.006 0.000 0.893 67 N CB 0.391 38.901 38.487 0.038 0.000 0.975 67 N HN 0.293 nan 8.380 nan 0.000 0.451 68 E N -0.330 119.704 120.200 -0.276 0.000 2.501 68 E HA 0.212 4.563 4.350 0.001 0.000 0.201 68 E C 1.268 177.224 176.600 -1.073 0.000 1.016 68 E CA -0.017 55.914 56.400 -0.782 0.000 0.920 68 E CB 0.745 30.386 29.700 -0.098 0.000 1.023 68 E HN 0.347 nan 8.360 nan 0.000 0.474 69 L N -0.736 120.190 121.223 -0.495 0.000 2.653 69 L HA 0.273 4.613 4.340 0.001 0.000 0.230 69 L C 0.516 177.438 176.870 0.087 0.000 1.055 69 L CA 0.104 54.838 54.840 -0.176 0.000 0.880 69 L CB 1.191 43.160 42.059 -0.152 0.000 1.195 69 L HN -0.144 nan 8.230 nan 0.000 0.492 70 V N -1.338 118.673 119.914 0.162 0.000 3.078 70 V HA 0.701 4.822 4.120 0.001 0.000 0.311 70 V C -1.294 175.014 176.094 0.357 0.000 1.138 70 V CA -0.252 62.206 62.300 0.264 0.000 1.007 70 V CB 2.476 34.365 31.823 0.110 0.000 1.045 70 V HN 0.069 nan 8.190 nan 0.000 0.432 71 S N 2.605 118.448 115.700 0.240 0.000 2.579 71 S HA 0.518 4.989 4.470 0.001 0.000 0.272 71 S C 0.190 174.834 174.600 0.072 0.000 1.141 71 S CA -0.419 57.872 58.200 0.152 0.000 0.843 71 S CB 2.238 65.446 63.200 0.014 0.000 1.122 71 S HN 0.784 nan 8.310 nan 0.000 0.468 72 K N 0.810 121.239 120.400 0.049 0.000 2.062 72 K HA 0.033 4.354 4.320 0.001 0.000 0.205 72 K C 0.072 176.675 176.600 0.006 0.000 1.051 72 K CA 0.894 57.200 56.287 0.031 0.000 0.941 72 K CB -0.170 32.344 32.500 0.025 0.000 0.719 72 K HN 0.603 nan 8.250 nan 0.000 0.440 73 D N 0.394 120.782 120.400 -0.020 0.000 2.472 73 D HA -0.065 4.576 4.640 0.001 0.000 0.248 73 D C 0.977 177.242 176.300 -0.058 0.000 1.174 73 D CA 0.156 54.128 54.000 -0.047 0.000 0.883 73 D CB 1.049 41.801 40.800 -0.080 0.000 1.149 73 D HN 0.113 nan 8.370 nan 0.000 0.488 74 S N 2.588 118.269 115.700 -0.032 0.000 2.423 74 S HA -0.138 4.333 4.470 0.001 0.000 0.231 74 S C 1.768 176.338 174.600 -0.050 0.000 1.014 74 S CA 1.081 59.267 58.200 -0.023 0.000 0.965 74 S CB -0.219 62.981 63.200 0.000 0.000 0.785 74 S HN 0.354 nan 8.310 nan 0.000 0.495 75 V N 1.758 121.631 119.914 -0.069 0.000 2.323 75 V HA -0.068 4.053 4.120 0.001 0.000 0.244 75 V C 2.768 178.760 176.094 -0.169 0.000 1.041 75 V CA 1.895 64.143 62.300 -0.087 0.000 1.025 75 V CB -0.677 31.105 31.823 -0.068 0.000 0.656 75 V HN 0.466 nan 8.190 nan 0.000 0.451 76 K N -0.260 119.984 120.400 -0.260 0.000 2.057 76 K HA -0.171 4.150 4.320 0.001 0.000 0.207 76 K C 2.310 178.524 176.600 -0.643 0.000 1.049 76 K CA 1.848 57.801 56.287 -0.556 0.000 0.931 76 K CB -0.439 31.678 32.500 -0.638 0.000 0.714 76 K HN 0.442 nan 8.250 nan 0.000 0.440 77 T N 1.416 115.791 114.554 -0.298 0.000 2.624 77 T HA -0.243 4.107 4.350 0.001 0.000 0.268 77 T C 1.851 176.540 174.700 -0.018 0.000 1.041 77 T CA 1.735 63.785 62.100 -0.083 0.000 1.159 77 T CB -0.182 68.686 68.868 -0.000 0.000 0.863 77 T HN 0.332 nan 8.240 nan 0.000 0.434 78 Q N 0.259 120.036 119.800 -0.038 0.000 2.079 78 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 78 Q C 2.614 178.620 176.000 0.009 0.000 0.974 78 Q CA 1.277 57.087 55.803 0.013 0.000 0.840 78 Q CB -0.131 28.611 28.738 0.007 0.000 0.898 78 Q HN 0.583 nan 8.270 nan 0.000 0.430 79 Q N -0.545 119.211 119.800 -0.073 0.000 2.096 79 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 79 Q C 1.736 177.787 176.000 0.085 0.000 0.982 79 Q CA 1.216 56.988 55.803 -0.052 0.000 0.850 79 Q CB -0.050 28.591 28.738 -0.162 0.000 0.901 79 Q HN 0.309 nan 8.270 nan 0.000 0.422 80 F N 0.210 120.141 119.950 -0.032 0.000 2.134 80 F HA -0.136 4.392 4.527 0.002 0.000 0.299 80 F C 2.356 178.170 175.800 0.024 0.000 1.097 80 F CA 0.853 58.828 58.000 -0.042 0.000 1.264 80 F CB -1.242 37.746 39.000 -0.020 0.000 1.001 80 F HN 0.075 nan 8.300 nan 0.000 0.479 81 A N -0.474 122.493 122.820 0.244 0.000 1.877 81 A HA -0.264 4.057 4.320 0.001 0.000 0.216 81 A C 2.248 179.933 177.584 0.167 0.000 1.186 81 A CA 1.841 53.994 52.037 0.194 0.000 0.620 81 A CB -1.030 18.068 19.000 0.163 0.000 0.822 81 A HN 0.442 nan 8.150 nan 0.000 0.443 82 Q N -0.738 119.129 119.800 0.112 0.000 2.119 82 Q HA -0.188 4.153 4.340 0.001 0.000 0.201 82 Q C 2.315 178.350 176.000 0.058 0.000 0.972 82 Q CA 1.529 57.372 55.803 0.066 0.000 0.847 82 Q CB -0.121 28.643 28.738 0.044 0.000 0.903 82 Q HN 0.680 nan 8.270 nan 0.000 0.433 83 R N -0.154 120.383 120.500 0.060 0.000 2.073 83 R HA -0.184 4.156 4.340 0.001 0.000 0.234 83 R C 2.149 178.499 176.300 0.084 0.000 1.134 83 R CA 1.666 57.762 56.100 -0.006 0.000 0.952 83 R CB -0.621 29.575 30.300 -0.173 0.000 0.850 83 R HN 0.554 nan 8.270 nan 0.000 0.433 84 W N 1.320 122.622 121.300 0.004 0.000 2.333 84 W HA -0.236 4.425 4.660 0.002 0.000 0.316 84 W C 1.631 178.167 176.519 0.029 0.000 1.215 84 W CA 1.538 58.935 57.345 0.087 0.000 1.278 84 W CB -0.389 29.111 29.460 0.067 0.000 1.154 84 W HN 0.134 nan 8.180 nan 0.000 0.486 85 I N 1.196 121.794 120.570 0.047 0.000 2.163 85 I HA -0.363 3.808 4.170 0.001 0.000 0.243 85 I C 2.627 178.660 176.117 -0.140 0.000 1.085 85 I CA 2.441 63.683 61.300 -0.096 0.000 1.347 85 I CB -0.835 37.133 38.000 -0.053 0.000 1.044 85 I HN 0.037 nan 8.210 nan 0.000 0.408 86 T N -2.897 111.611 114.554 -0.076 0.000 3.031 86 T HA 0.005 4.356 4.350 0.001 0.000 0.254 86 T C 1.717 176.374 174.700 -0.072 0.000 1.060 86 T CA 0.332 62.392 62.100 -0.066 0.000 1.135 86 T CB 0.089 68.939 68.868 -0.030 0.000 0.896 86 T HN 0.161 nan 8.240 nan 0.000 0.472 87 Q N 0.656 120.425 119.800 -0.052 0.000 2.396 87 Q HA 0.346 4.687 4.340 0.001 0.000 0.209 87 Q C 0.278 176.261 176.000 -0.029 0.000 0.906 87 Q CA 0.194 55.996 55.803 -0.002 0.000 0.927 87 Q CB 0.613 29.398 28.738 0.078 0.000 1.069 87 Q HN 0.414 nan 8.270 nan 0.000 0.523 88 V N 2.786 122.604 119.914 -0.160 0.000 2.370 88 V HA 0.216 4.337 4.120 0.001 0.000 0.279 88 V C 0.445 176.325 176.094 -0.358 0.000 1.029 88 V CA -0.701 61.408 62.300 -0.319 0.000 0.870 88 V CB 1.305 32.728 31.823 -0.666 0.000 0.984 88 V HN 0.205 nan 8.190 nan 0.000 0.451 89 S N 5.665 121.212 115.700 -0.255 0.000 2.579 89 S HA 0.233 4.704 4.470 0.001 0.000 0.275 89 S C -1.602 172.851 174.600 -0.244 0.000 1.345 89 S CA -0.778 57.298 58.200 -0.207 0.000 1.031 89 S CB 0.905 64.017 63.200 -0.146 0.000 0.892 89 S HN 0.525 nan 8.310 nan 0.000 0.529 90 P HA -0.147 nan 4.420 nan 0.000 0.216 90 P C 1.347 178.557 177.300 -0.151 0.000 1.153 90 P CA 1.435 64.436 63.100 -0.166 0.000 0.858 90 P CB 0.033 31.668 31.700 -0.108 0.000 0.789 91 E N -0.758 119.365 120.200 -0.128 0.000 2.072 91 E HA -0.144 4.207 4.350 0.001 0.000 0.191 91 E C 2.085 178.605 176.600 -0.133 0.000 0.985 91 E CA 1.228 57.562 56.400 -0.111 0.000 0.801 91 E CB -0.494 29.153 29.700 -0.088 0.000 0.750 91 E HN 0.152 nan 8.360 nan 0.000 0.452 92 A N 1.821 124.540 122.820 -0.168 0.000 1.902 92 A HA -0.213 4.108 4.320 0.001 0.000 0.217 92 A C 1.995 179.450 177.584 -0.215 0.000 1.181 92 A CA 1.376 53.299 52.037 -0.189 0.000 0.623 92 A CB -0.296 18.572 19.000 -0.220 0.000 0.818 92 A HN 0.050 nan 8.150 nan 0.000 0.443 93 K N -0.332 119.886 120.400 -0.303 0.000 2.020 93 K HA -0.205 4.116 4.320 0.001 0.000 0.212 93 K C 2.116 178.625 176.600 -0.150 0.000 1.050 93 K CA 1.501 57.608 56.287 -0.300 0.000 0.929 93 K CB -0.354 31.920 32.500 -0.378 0.000 0.714 93 K HN 0.624 nan 8.250 nan 0.000 0.443 94 N N 0.589 119.198 118.700 -0.152 0.000 2.104 94 N HA -0.203 4.538 4.740 0.001 0.000 0.190 94 N C 1.808 177.265 175.510 -0.088 0.000 1.024 94 N CA 1.208 54.187 53.050 -0.119 0.000 0.853 94 N CB 0.177 38.613 38.487 -0.084 0.000 1.008 94 N HN 0.198 nan 8.380 nan 0.000 0.424 95 Q N 0.939 120.688 119.800 -0.085 0.000 2.050 95 Q HA -0.051 4.290 4.340 0.001 0.000 0.202 95 Q C 2.351 178.316 176.000 -0.059 0.000 0.980 95 Q CA 0.888 56.650 55.803 -0.068 0.000 0.840 95 Q CB -0.406 28.285 28.738 -0.080 0.000 0.898 95 Q HN 0.533 nan 8.270 nan 0.000 0.424 96 I N 0.670 121.206 120.570 -0.057 0.000 2.163 96 I HA -0.315 3.856 4.170 0.001 0.000 0.243 96 I C 2.317 178.415 176.117 -0.031 0.000 1.085 96 I CA 1.325 62.613 61.300 -0.020 0.000 1.347 96 I CB -0.227 37.825 38.000 0.086 0.000 1.044 96 I HN 0.154 nan 8.210 nan 0.000 0.408 97 K N 0.172 120.514 120.400 -0.096 0.000 2.026 97 K HA -0.140 4.181 4.320 0.001 0.000 0.208 97 K C 2.127 178.746 176.600 0.032 0.000 1.048 97 K CA 1.984 58.164 56.287 -0.178 0.000 0.929 97 K CB -0.390 31.769 32.500 -0.568 0.000 0.713 97 K HN 0.316 nan 8.250 nan 0.000 0.439 98 T N 1.569 116.133 114.554 0.016 0.000 2.684 98 T HA -0.125 4.226 4.350 0.001 0.000 0.267 98 T C 1.572 176.301 174.700 0.048 0.000 1.036 98 T CA 1.511 63.644 62.100 0.055 0.000 1.148 98 T CB -0.296 68.586 68.868 0.024 0.000 0.863 98 T HN 0.196 nan 8.240 nan 0.000 0.436 99 N N 1.443 120.153 118.700 0.017 0.000 2.120 99 N HA 0.014 4.755 4.740 0.001 0.000 0.188 99 N C 2.147 177.673 175.510 0.027 0.000 1.024 99 N CA 1.317 54.373 53.050 0.010 0.000 0.852 99 N CB -0.718 37.758 38.487 -0.018 0.000 1.003 99 N HN 0.439 nan 8.380 nan 0.000 0.424 100 A N 1.140 123.985 122.820 0.041 0.000 1.908 100 A HA -0.078 4.243 4.320 0.001 0.000 0.218 100 A C 2.367 180.009 177.584 0.097 0.000 1.181 100 A CA 1.047 53.124 52.037 0.067 0.000 0.627 100 A CB -0.806 18.252 19.000 0.096 0.000 0.818 100 A HN 0.236 nan 8.150 nan 0.000 0.445 101 L N -0.863 120.442 121.223 0.137 0.000 2.141 101 L HA -0.135 4.206 4.340 0.001 0.000 0.209 101 L C 2.774 179.689 176.870 0.076 0.000 1.094 101 L CA 1.557 56.475 54.840 0.130 0.000 0.763 101 L CB -0.696 41.470 42.059 0.178 0.000 0.908 101 L HN 0.366 nan 8.230 nan 0.000 0.437 102 T N -0.060 114.530 114.554 0.061 0.000 2.684 102 T HA -0.218 4.133 4.350 0.001 0.000 0.267 102 T C 1.957 176.676 174.700 0.031 0.000 1.036 102 T CA 1.524 63.647 62.100 0.038 0.000 1.148 102 T CB -0.237 68.646 68.868 0.026 0.000 0.863 102 T HN 0.461 nan 8.240 nan 0.000 0.436 103 A N 0.968 123.806 122.820 0.030 0.000 1.969 103 A HA 0.046 4.367 4.320 0.001 0.000 0.218 103 A C 2.210 179.811 177.584 0.029 0.000 1.169 103 A CA 0.996 53.047 52.037 0.023 0.000 0.635 103 A CB -0.749 18.261 19.000 0.017 0.000 0.810 103 A HN 0.411 nan 8.150 nan 0.000 0.445 104 L N 0.477 121.724 121.223 0.039 0.000 2.081 104 L HA -0.135 4.206 4.340 0.001 0.000 0.212 104 L C 2.037 178.925 176.870 0.030 0.000 1.080 104 L CA 2.360 57.224 54.840 0.040 0.000 0.754 104 L CB -0.226 41.862 42.059 0.047 0.000 0.893 104 L HN 0.405 nan 8.230 nan 0.000 0.433 105 V N -3.042 116.888 119.914 0.026 0.000 3.421 105 V HA 0.238 4.359 4.120 0.001 0.000 0.316 105 V C 1.050 177.153 176.094 0.017 0.000 1.347 105 V CA 0.082 62.394 62.300 0.019 0.000 1.183 105 V CB -1.069 30.765 31.823 0.017 0.000 1.092 105 V HN 0.349 nan 8.190 nan 0.000 0.433 106 S N 0.254 115.964 115.700 0.018 0.000 2.558 106 S HA 0.209 4.679 4.470 0.001 0.000 0.288 106 S C 0.980 175.588 174.600 0.013 0.000 1.318 106 S CA 0.090 58.299 58.200 0.014 0.000 1.056 106 S CB 0.642 63.850 63.200 0.014 0.000 0.853 106 S HN 0.595 nan 8.310 nan 0.000 0.505 107 I N 2.087 122.663 120.570 0.010 0.000 2.830 107 I HA 0.052 4.223 4.170 0.001 0.000 0.263 107 I C 0.709 176.831 176.117 0.010 0.000 1.230 107 I CA 0.605 61.911 61.300 0.009 0.000 1.480 107 I CB 0.070 38.075 38.000 0.007 0.000 1.095 107 I HN 0.635 nan 8.210 nan 0.000 0.455 108 E N 2.207 122.413 120.200 0.010 0.000 2.052 108 E HA 0.120 4.471 4.350 0.001 0.000 0.283 108 E C -1.701 174.908 176.600 0.015 0.000 1.071 108 E CA -2.759 53.648 56.400 0.011 0.000 0.851 108 E CB 0.699 30.404 29.700 0.009 0.000 1.066 108 E HN 0.137 nan 8.360 nan 0.000 0.396 109 P HA -0.137 nan 4.420 nan 0.000 0.222 109 P C 0.728 178.045 177.300 0.028 0.000 1.147 109 P CA 0.918 64.032 63.100 0.023 0.000 0.790 109 P CB 0.349 32.062 31.700 0.022 0.000 0.780 110 R N -0.750 119.763 120.500 0.022 0.000 2.115 110 R HA 0.015 4.356 4.340 0.001 0.000 0.226 110 R C 2.221 178.531 176.300 0.016 0.000 1.100 110 R CA 0.840 56.952 56.100 0.020 0.000 0.980 110 R CB -0.434 29.874 30.300 0.013 0.000 0.875 110 R HN 0.203 nan 8.270 nan 0.000 0.445 111 I N 0.494 121.072 120.570 0.014 0.000 2.286 111 I HA -0.125 4.046 4.170 0.001 0.000 0.245 111 I C 2.476 178.603 176.117 0.017 0.000 1.104 111 I CA 1.005 62.312 61.300 0.010 0.000 1.397 111 I CB -1.257 36.749 38.000 0.009 0.000 1.072 111 I HN 0.070 nan 8.210 nan 0.000 0.417 112 A N 1.013 123.848 122.820 0.026 0.000 1.902 112 A HA -0.232 4.088 4.320 0.001 0.000 0.217 112 A C 2.221 179.837 177.584 0.053 0.000 1.181 112 A CA 1.861 53.919 52.037 0.036 0.000 0.623 112 A CB -0.876 18.145 19.000 0.035 0.000 0.818 112 A HN 0.499 nan 8.150 nan 0.000 0.443 113 N N 0.486 119.222 118.700 0.060 0.000 2.058 113 N HA -0.155 4.586 4.740 0.001 0.000 0.191 113 N C 1.984 177.505 175.510 0.017 0.000 1.037 113 N CA 1.665 54.771 53.050 0.094 0.000 0.848 113 N CB -0.275 38.270 38.487 0.097 0.000 1.021 113 N HN 0.345 nan 8.380 nan 0.000 0.422 114 A N 1.088 123.901 122.820 -0.013 0.000 1.883 114 A HA -0.047 4.274 4.320 0.001 0.000 0.217 114 A C 2.461 180.014 177.584 -0.052 0.000 1.186 114 A CA 2.141 54.146 52.037 -0.054 0.000 0.624 114 A CB -1.083 17.897 19.000 -0.034 0.000 0.822 114 A HN 0.503 nan 8.150 nan 0.000 0.444 115 A N -0.197 122.617 122.820 -0.011 0.000 1.908 115 A HA 0.109 4.430 4.320 0.001 0.000 0.218 115 A C 2.527 180.123 177.584 0.021 0.000 1.181 115 A CA 2.314 54.356 52.037 0.009 0.000 0.627 115 A CB -1.080 17.937 19.000 0.029 0.000 0.818 115 A HN 1.133 nan 8.150 nan 0.000 0.445 116 A N -0.711 122.134 122.820 0.041 0.000 1.902 116 A HA -0.232 4.089 4.320 0.001 0.000 0.217 116 A C 2.134 179.734 177.584 0.026 0.000 1.181 116 A CA 1.697 53.794 52.037 0.101 0.000 0.623 116 A CB -0.616 18.524 19.000 0.234 0.000 0.818 116 A HN 0.669 nan 8.150 nan 0.000 0.443 117 Q N -1.171 118.501 119.800 -0.213 0.000 2.084 117 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 117 Q C 2.120 178.016 176.000 -0.173 0.000 0.978 117 Q CA 1.442 56.994 55.803 -0.419 0.000 0.844 117 Q CB -0.355 28.037 28.738 -0.577 0.000 0.898 117 Q HN 0.599 nan 8.270 nan 0.000 0.426 118 L N 0.772 121.933 121.223 -0.103 0.000 2.017 118 L HA -0.146 4.194 4.340 0.001 0.000 0.208 118 L C 2.029 178.893 176.870 -0.011 0.000 1.073 118 L CA 1.530 56.331 54.840 -0.064 0.000 0.745 118 L CB -0.364 41.665 42.059 -0.050 0.000 0.894 118 L HN 0.157 nan 8.230 nan 0.000 0.432 119 I N -0.212 120.398 120.570 0.067 0.000 2.208 119 I HA -0.340 3.831 4.170 0.001 0.000 0.245 119 I C 2.580 178.787 176.117 0.150 0.000 1.097 119 I CA 1.315 62.736 61.300 0.203 0.000 1.363 119 I CB -0.600 37.499 38.000 0.165 0.000 1.051 119 I HN 0.404 nan 8.210 nan 0.000 0.413 120 A N 0.538 123.397 122.820 0.065 0.000 1.902 120 A HA -0.163 4.158 4.320 0.001 0.000 0.217 120 A C 2.550 180.147 177.584 0.022 0.000 1.181 120 A CA 1.805 53.873 52.037 0.051 0.000 0.623 120 A CB -0.887 18.171 19.000 0.097 0.000 0.818 120 A HN 0.428 nan 8.150 nan 0.000 0.443 121 A N 0.111 122.918 122.820 -0.020 0.000 1.865 121 A HA -0.136 4.185 4.320 0.001 0.000 0.217 121 A C 2.135 179.638 177.584 -0.134 0.000 1.191 121 A CA 1.690 53.687 52.037 -0.066 0.000 0.623 121 A CB -0.688 18.252 19.000 -0.100 0.000 0.826 121 A HN 0.506 nan 8.150 nan 0.000 0.444 122 I N -0.265 120.192 120.570 -0.190 0.000 2.179 122 I HA -0.271 3.900 4.170 0.001 0.000 0.242 122 I C 2.991 179.105 176.117 -0.004 0.000 1.088 122 I CA 1.058 62.150 61.300 -0.347 0.000 1.357 122 I CB -0.419 37.321 38.000 -0.433 0.000 1.051 122 I HN 0.355 nan 8.210 nan 0.000 0.409 123 A N 0.564 123.522 122.820 0.228 0.000 1.908 123 A HA -0.270 4.051 4.320 0.001 0.000 0.218 123 A C 1.959 179.597 177.584 0.091 0.000 1.181 123 A CA 2.225 54.391 52.037 0.215 0.000 0.627 123 A CB -0.689 18.339 19.000 0.047 0.000 0.818 123 A HN 0.359 nan 8.150 nan 0.000 0.445 124 D N -0.300 120.120 120.400 0.032 0.000 2.221 124 D HA -0.101 4.540 4.640 0.001 0.000 0.204 124 D C 1.750 178.089 176.300 0.066 0.000 0.982 124 D CA 1.040 55.053 54.000 0.021 0.000 0.857 124 D CB -0.215 40.593 40.800 0.015 0.000 0.934 124 D HN 0.581 nan 8.370 nan 0.000 0.475 125 I N 0.526 121.124 120.570 0.047 0.000 2.339 125 I HA -0.118 4.053 4.170 0.001 0.000 0.245 125 I C 2.216 178.466 176.117 0.222 0.000 1.096 125 I CA 0.782 62.141 61.300 0.099 0.000 1.408 125 I CB 0.055 38.030 38.000 -0.041 0.000 1.092 125 I HN -0.102 nan 8.210 nan 0.000 0.423 126 E N 0.615 120.935 120.200 0.199 0.000 2.102 126 E HA -0.029 4.322 4.350 0.001 0.000 0.190 126 E C 2.372 179.142 176.600 0.283 0.000 0.971 126 E CA 0.679 57.245 56.400 0.277 0.000 0.821 126 E CB 0.067 29.959 29.700 0.319 0.000 0.777 126 E HN 0.399 nan 8.360 nan 0.000 0.460 127 L N 1.206 122.557 121.223 0.213 0.000 2.042 127 L HA -0.144 4.197 4.340 0.001 0.000 0.210 127 L C -0.541 176.393 176.870 0.106 0.000 1.076 127 L CA 1.300 56.220 54.840 0.134 0.000 0.749 127 L CB -1.591 40.497 42.059 0.048 0.000 0.893 127 L HN 0.111 nan 8.230 nan 0.000 0.432 128 P HA -0.134 nan 4.420 nan 0.000 0.225 128 P C 0.749 177.994 177.300 -0.093 0.000 1.148 128 P CA 1.318 64.415 63.100 -0.006 0.000 0.779 128 P CB -0.108 31.568 31.700 -0.041 0.000 0.780 129 H N -1.058 118.060 119.070 0.081 0.000 2.524 129 H HA 0.281 4.838 4.556 0.002 0.000 0.299 129 H C 1.187 176.565 175.328 0.083 0.000 1.074 129 H CA 0.279 56.377 56.048 0.083 0.000 1.115 129 H CB -0.406 29.416 29.762 0.100 0.000 1.522 129 H HN 0.109 nan 8.280 nan 0.000 0.543 130 G N 1.373 110.261 108.800 0.147 0.000 2.337 130 G HA2 -0.294 3.667 3.960 0.001 0.000 0.290 130 G HA3 -0.294 3.667 3.960 0.001 0.000 0.290 130 G C 0.503 175.491 174.900 0.146 0.000 1.003 130 G CA 0.605 45.776 45.100 0.119 0.000 0.825 130 G HN 0.661 nan 8.290 nan 0.000 0.509 131 A N -1.822 121.115 122.820 0.196 0.000 2.452 131 A HA 0.713 5.034 4.320 0.001 0.000 0.285 131 A C 0.862 178.627 177.584 0.302 0.000 1.209 131 A CA 0.215 52.382 52.037 0.216 0.000 0.940 131 A CB 0.200 19.330 19.000 0.216 0.000 1.440 131 A HN 1.565 nan 8.150 nan 0.000 0.480 132 W N -0.169 121.182 121.300 0.084 0.000 7.168 132 W HA -0.124 4.537 4.660 0.001 0.000 0.415 132 W C -1.719 174.826 176.519 0.045 0.000 1.614 132 W CA 0.521 57.906 57.345 0.067 0.000 1.165 132 W CB -1.417 28.084 29.460 0.068 0.000 2.824 132 W HN 0.546 nan 8.180 nan 0.000 1.619 133 P HA -0.181 nan 4.420 nan 0.000 0.223 133 P C 1.191 178.525 177.300 0.057 0.000 1.151 133 P CA 2.023 65.190 63.100 0.111 0.000 0.787 133 P CB 0.299 32.058 31.700 0.099 0.000 0.788 134 E N -0.137 120.140 120.200 0.128 0.000 2.204 134 E HA -0.124 4.227 4.350 0.001 0.000 0.194 134 E C 1.957 178.488 176.600 -0.115 0.000 0.989 134 E CA 0.474 56.913 56.400 0.066 0.000 0.824 134 E CB -1.060 28.760 29.700 0.199 0.000 0.756 134 E HN 0.140 nan 8.360 nan 0.000 0.477 135 L N -0.007 120.973 121.223 -0.404 0.000 1.989 135 L HA -0.170 4.171 4.340 0.001 0.000 0.211 135 L C 1.920 178.562 176.870 -0.380 0.000 1.071 135 L CA 1.797 56.208 54.840 -0.714 0.000 0.749 135 L CB -0.313 40.881 42.059 -1.442 0.000 0.890 135 L HN 0.164 nan 8.230 nan 0.000 0.431 136 M N -0.624 118.814 119.600 -0.270 0.000 2.296 136 M HA -0.148 4.333 4.480 0.001 0.000 0.265 136 M C 2.163 178.393 176.300 -0.117 0.000 1.064 136 M CA 1.246 56.442 55.300 -0.173 0.000 1.109 136 M CB -1.147 31.380 32.600 -0.123 0.000 1.396 136 M HN 0.298 nan 8.290 nan 0.000 0.430 137 K N 0.820 121.162 120.400 -0.096 0.000 2.057 137 K HA -0.082 4.239 4.320 0.001 0.000 0.206 137 K C 1.853 178.415 176.600 -0.063 0.000 1.050 137 K CA 1.155 57.406 56.287 -0.060 0.000 0.935 137 K CB -0.277 32.202 32.500 -0.035 0.000 0.715 137 K HN 0.318 nan 8.250 nan 0.000 0.439 138 I N 0.988 121.507 120.570 -0.086 0.000 2.179 138 I HA -0.308 3.863 4.170 0.001 0.000 0.242 138 I C 2.490 178.560 176.117 -0.078 0.000 1.088 138 I CA 0.901 62.157 61.300 -0.073 0.000 1.357 138 I CB -0.206 37.746 38.000 -0.079 0.000 1.051 138 I HN 0.136 nan 8.210 nan 0.000 0.409 139 M N 0.006 119.539 119.600 -0.112 0.000 2.080 139 M HA -0.166 4.315 4.480 0.001 0.000 0.260 139 M C 2.507 178.769 176.300 -0.064 0.000 1.068 139 M CA 1.648 56.892 55.300 -0.094 0.000 1.109 139 M CB -1.163 31.365 32.600 -0.121 0.000 1.342 139 M HN 0.110 nan 8.290 nan 0.000 0.405 140 V N 0.845 120.722 119.914 -0.061 0.000 2.295 140 V HA -0.273 3.848 4.120 0.001 0.000 0.246 140 V C 2.011 178.084 176.094 -0.034 0.000 1.049 140 V CA 1.944 64.218 62.300 -0.043 0.000 1.024 140 V CB -0.799 30.999 31.823 -0.041 0.000 0.648 140 V HN 0.359 nan 8.190 nan 0.000 0.447 141 D N 0.126 120.505 120.400 -0.034 0.000 2.144 141 D HA -0.129 4.511 4.640 0.001 0.000 0.200 141 D C 1.958 178.245 176.300 -0.022 0.000 0.978 141 D CA 1.087 55.072 54.000 -0.024 0.000 0.833 141 D CB -0.463 40.324 40.800 -0.020 0.000 0.961 141 D HN 0.362 nan 8.370 nan 0.000 0.470 142 N N -0.170 118.513 118.700 -0.027 0.000 2.381 142 N HA -0.088 4.653 4.740 0.001 0.000 0.182 142 N C 1.478 176.976 175.510 -0.020 0.000 1.025 142 N CA 1.155 54.192 53.050 -0.022 0.000 0.888 142 N CB -0.148 38.323 38.487 -0.027 0.000 0.965 142 N HN 0.320 nan 8.380 nan 0.000 0.438 143 T N -3.648 110.892 114.554 -0.023 0.000 3.092 143 T HA 0.303 4.654 4.350 0.001 0.000 0.258 143 T C 0.974 175.665 174.700 -0.015 0.000 1.031 143 T CA -0.452 61.636 62.100 -0.020 0.000 0.925 143 T CB -0.117 68.737 68.868 -0.023 0.000 1.036 143 T HN 0.047 nan 8.240 nan 0.000 0.544 144 G N 0.586 109.377 108.800 -0.015 0.000 2.559 144 G HA2 0.406 4.367 3.960 0.001 0.000 0.235 144 G HA3 0.406 4.367 3.960 0.001 0.000 0.235 144 G C 1.229 176.123 174.900 -0.009 0.000 1.266 144 G CA -0.219 44.874 45.100 -0.012 0.000 0.847 144 G HN 0.432 nan 8.290 nan 0.000 0.583 145 A N 0.405 123.221 122.820 -0.008 0.000 1.940 145 A HA -0.070 4.250 4.320 0.001 0.000 0.219 145 A C 1.996 179.576 177.584 -0.006 0.000 1.176 145 A CA 1.790 53.823 52.037 -0.006 0.000 0.631 145 A CB -0.182 18.815 19.000 -0.005 0.000 0.814 145 A HN 0.624 nan 8.150 nan 0.000 0.446 146 E N 0.139 120.335 120.200 -0.006 0.000 2.476 146 E HA 0.007 4.358 4.350 0.001 0.000 0.191 146 E C -0.109 176.488 176.600 -0.005 0.000 1.064 146 E CA -0.106 56.291 56.400 -0.005 0.000 0.866 146 E CB 0.003 29.700 29.700 -0.005 0.000 0.952 146 E HN 0.586 nan 8.360 nan 0.000 0.492 147 Q N 1.484 121.281 119.800 -0.006 0.000 2.373 147 Q HA 0.169 4.510 4.340 0.001 0.000 0.255 147 Q C -2.013 173.985 176.000 -0.004 0.000 0.980 147 Q CA -1.532 54.268 55.803 -0.005 0.000 0.882 147 Q CB 0.215 28.949 28.738 -0.007 0.000 1.249 147 Q HN 0.132 nan 8.270 nan 0.000 0.438 148 P HA -0.009 nan 4.420 nan 0.000 0.272 148 P C 0.380 177.678 177.300 -0.002 0.000 1.240 148 P CA -0.041 63.058 63.100 -0.002 0.000 0.791 148 P CB 0.798 32.498 31.700 0.000 0.000 0.978 149 E N 1.364 121.563 120.200 -0.002 0.000 2.077 149 E HA -0.235 4.116 4.350 0.001 0.000 0.193 149 E C 1.563 178.162 176.600 -0.001 0.000 0.989 149 E CA 1.350 57.748 56.400 -0.003 0.000 0.800 149 E CB -0.261 29.437 29.700 -0.002 0.000 0.746 149 E HN 0.436 nan 8.360 nan 0.000 0.452 150 N N 0.628 119.329 118.700 0.002 0.000 2.223 150 N HA -0.141 4.599 4.740 0.001 0.000 0.185 150 N C 1.882 177.395 175.510 0.005 0.000 1.016 150 N CA 1.483 54.536 53.050 0.005 0.000 0.863 150 N CB -0.461 38.031 38.487 0.007 0.000 0.983 150 N HN 0.134 nan 8.380 nan 0.000 0.429 151 V N 1.149 121.065 119.914 0.003 0.000 2.488 151 V HA -0.104 4.017 4.120 0.001 0.000 0.246 151 V C 2.495 178.587 176.094 -0.004 0.000 1.046 151 V CA 1.416 63.717 62.300 0.002 0.000 1.053 151 V CB -0.477 31.347 31.823 0.001 0.000 0.679 151 V HN 0.269 nan 8.190 nan 0.000 0.458 152 K N -0.045 120.352 120.400 -0.006 0.000 2.026 152 K HA -0.181 4.140 4.320 0.001 0.000 0.208 152 K C 2.449 179.042 176.600 -0.012 0.000 1.048 152 K CA 1.483 57.763 56.287 -0.011 0.000 0.929 152 K CB -0.264 32.229 32.500 -0.012 0.000 0.713 152 K HN 0.224 nan 8.250 nan 0.000 0.439 153 R N 0.883 121.378 120.500 -0.008 0.000 2.075 153 R HA -0.076 4.265 4.340 0.001 0.000 0.232 153 R C 2.237 178.535 176.300 -0.003 0.000 1.126 153 R CA 1.378 57.473 56.100 -0.009 0.000 0.963 153 R CB -0.243 30.054 30.300 -0.004 0.000 0.858 153 R HN 0.198 nan 8.270 nan 0.000 0.435 154 A N 0.343 123.169 122.820 0.009 0.000 1.908 154 A HA -0.139 4.182 4.320 0.001 0.000 0.218 154 A C 2.233 179.830 177.584 0.023 0.000 1.181 154 A CA 1.978 54.031 52.037 0.027 0.000 0.627 154 A CB -0.490 18.528 19.000 0.030 0.000 0.818 154 A HN 0.434 nan 8.150 nan 0.000 0.445 155 S N -0.155 115.547 115.700 0.002 0.000 2.383 155 S HA -0.055 4.416 4.470 0.001 0.000 0.227 155 S C 1.806 176.392 174.600 -0.024 0.000 1.026 155 S CA 1.348 59.540 58.200 -0.014 0.000 0.981 155 S CB -0.423 62.761 63.200 -0.027 0.000 0.818 155 S HN 0.505 nan 8.310 nan 0.000 0.472 156 L N 1.229 122.434 121.223 -0.029 0.000 2.056 156 L HA -0.079 4.262 4.340 0.001 0.000 0.207 156 L C 2.268 179.096 176.870 -0.069 0.000 1.078 156 L CA 0.939 55.752 54.840 -0.046 0.000 0.749 156 L CB -0.662 41.370 42.059 -0.044 0.000 0.901 156 L HN 0.286 nan 8.230 nan 0.000 0.433 157 L N -0.227 120.958 121.223 -0.064 0.000 2.013 157 L HA -0.286 4.055 4.340 0.001 0.000 0.212 157 L C 2.913 179.754 176.870 -0.048 0.000 1.073 157 L CA 1.556 56.324 54.840 -0.120 0.000 0.753 157 L CB -0.908 41.156 42.059 0.008 0.000 0.890 157 L HN 0.303 nan 8.230 nan 0.000 0.432 158 A N 0.041 122.911 122.820 0.083 0.000 1.902 158 A HA -0.174 4.147 4.320 0.001 0.000 0.217 158 A C 2.252 179.872 177.584 0.060 0.000 1.181 158 A CA 1.488 53.609 52.037 0.141 0.000 0.623 158 A CB -0.695 18.342 19.000 0.062 0.000 0.818 158 A HN 0.360 nan 8.150 nan 0.000 0.443 159 L N -0.701 120.512 121.223 -0.016 0.000 2.046 159 L HA -0.118 4.223 4.340 0.001 0.000 0.208 159 L C 2.859 179.706 176.870 -0.040 0.000 1.077 159 L CA 1.101 55.915 54.840 -0.042 0.000 0.747 159 L CB -0.800 41.226 42.059 -0.054 0.000 0.896 159 L HN 0.491 nan 8.230 nan 0.000 0.432 160 G N -0.966 107.783 108.800 -0.085 0.000 2.446 160 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 160 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 160 G C 1.305 176.154 174.900 -0.084 0.000 1.168 160 G CA 0.690 45.715 45.100 -0.126 0.000 0.771 160 G HN 0.241 nan 8.290 nan 0.000 0.551 161 Y N -0.127 120.175 120.300 0.003 0.000 2.224 161 Y HA 0.002 4.553 4.550 0.001 0.000 0.289 161 Y C 2.914 178.812 175.900 -0.002 0.000 1.146 161 Y CA 1.169 59.273 58.100 0.007 0.000 1.182 161 Y CB -0.431 38.031 38.460 0.003 0.000 0.983 161 Y HN 0.131 nan 8.280 nan 0.000 0.524 162 M N -1.390 118.284 119.600 0.124 0.000 2.117 162 M HA -0.265 4.216 4.480 0.001 0.000 0.262 162 M C 2.051 178.330 176.300 -0.036 0.000 1.065 162 M CA 1.681 56.993 55.300 0.020 0.000 1.114 162 M CB -0.338 32.236 32.600 -0.045 0.000 1.361 162 M HN 0.384 nan 8.290 nan 0.000 0.408 163 C N -0.072 119.218 119.300 -0.016 0.000 2.476 163 C HA -0.126 4.335 4.460 0.001 0.000 0.278 163 C C 2.580 177.706 174.990 0.227 0.000 1.274 163 C CA 1.286 60.334 59.018 0.051 0.000 1.713 163 C CB -1.111 26.720 27.740 0.152 0.000 2.039 163 C HN 0.636 nan 8.230 nan 0.000 0.484 164 E N 1.085 121.383 120.200 0.163 0.000 2.110 164 E HA -0.174 4.177 4.350 0.001 0.000 0.193 164 E C 1.851 178.549 176.600 0.162 0.000 0.988 164 E CA 1.554 58.053 56.400 0.165 0.000 0.804 164 E CB -0.110 29.668 29.700 0.131 0.000 0.745 164 E HN 0.540 nan 8.360 nan 0.000 0.458 165 S N 0.373 116.162 115.700 0.147 0.000 2.561 165 S HA 0.174 4.644 4.470 0.001 0.000 0.225 165 S C 0.531 175.195 174.600 0.107 0.000 0.977 165 S CA 0.253 58.524 58.200 0.117 0.000 0.926 165 S CB 0.289 63.545 63.200 0.094 0.000 0.769 165 S HN 0.450 nan 8.310 nan 0.000 0.533 166 A N 1.714 124.607 122.820 0.120 0.000 2.322 166 A HA 0.382 4.703 4.320 0.001 0.000 0.269 166 A C -0.445 177.279 177.584 0.233 0.000 1.094 166 A CA -0.791 51.318 52.037 0.120 0.000 0.807 166 A CB 0.083 19.052 19.000 -0.051 0.000 1.047 166 A HN 0.204 nan 8.150 nan 0.000 0.487 167 D N 2.324 122.842 120.400 0.197 0.000 5.290 167 D HA -0.015 4.626 4.640 0.001 0.000 0.213 167 D C -2.133 174.282 176.300 0.191 0.000 1.366 167 D CA 0.384 54.492 54.000 0.180 0.000 0.836 167 D CB -0.627 40.277 40.800 0.174 0.000 1.333 167 D HN 0.170 nan 8.370 nan 0.000 0.758 168 P HA -0.149 nan 4.420 nan 0.000 0.191 168 P C 0.286 177.597 177.300 0.018 0.000 0.942 168 P CA 0.537 63.680 63.100 0.072 0.000 1.312 168 P CB -0.687 31.042 31.700 0.049 0.000 1.452 169 Q N 0.463 120.237 119.800 -0.043 0.000 2.451 169 Q HA -0.282 4.059 4.340 0.001 0.000 0.305 169 Q C 0.074 176.035 176.000 -0.065 0.000 1.345 169 Q CA 1.040 56.750 55.803 -0.154 0.000 0.854 169 Q CB -2.415 26.228 28.738 -0.158 0.000 1.162 169 Q HN 0.436 nan 8.270 nan 0.000 0.440 170 S N -0.446 115.271 115.700 0.029 0.000 2.650 170 S HA 0.105 4.576 4.470 0.001 0.000 0.182 170 S C 1.142 175.803 174.600 0.101 0.000 0.832 170 S CA 0.811 59.048 58.200 0.061 0.000 0.860 170 S CB 0.677 63.924 63.200 0.078 0.000 0.818 170 S HN 0.569 nan 8.310 nan 0.000 0.600 171 Q N -1.407 118.515 119.800 0.203 0.000 1.556 171 Q HA 0.296 4.637 4.340 0.001 0.000 0.148 171 Q C 0.986 177.118 176.000 0.221 0.000 0.780 171 Q CA 0.509 56.446 55.803 0.225 0.000 0.726 171 Q CB -0.117 28.692 28.738 0.119 0.000 1.202 171 Q HN 0.615 nan 8.270 nan 0.000 0.349 172 A N 0.397 123.347 122.820 0.216 0.000 1.978 172 A HA -0.068 4.253 4.320 0.001 0.000 0.220 172 A C 1.469 179.027 177.584 -0.042 0.000 1.170 172 A CA 1.094 53.165 52.037 0.056 0.000 0.636 172 A CB -0.081 18.935 19.000 0.027 0.000 0.810 172 A HN 0.388 nan 8.150 nan 0.000 0.448 173 L N -1.116 120.028 121.223 -0.132 0.000 2.808 173 L HA 0.133 4.474 4.340 0.001 0.000 0.246 173 L C 1.884 178.743 176.870 -0.020 0.000 1.153 173 L CA -0.100 54.602 54.840 -0.230 0.000 0.956 173 L CB 0.591 42.247 42.059 -0.671 0.000 1.270 173 L HN 0.224 nan 8.230 nan 0.000 0.528 174 V N 0.556 120.541 119.914 0.118 0.000 2.282 174 V HA -0.324 3.797 4.120 0.001 0.000 0.249 174 V C 2.501 178.636 176.094 0.067 0.000 1.057 174 V CA 2.740 65.123 62.300 0.139 0.000 1.032 174 V CB 0.009 31.914 31.823 0.137 0.000 0.645 174 V HN 0.721 nan 8.190 nan 0.000 0.447 175 S N -1.170 114.553 115.700 0.038 0.000 2.515 175 S HA -0.040 4.431 4.470 0.001 0.000 0.231 175 S C 1.605 176.210 174.600 0.008 0.000 0.987 175 S CA 1.230 59.443 58.200 0.022 0.000 0.936 175 S CB -0.146 63.065 63.200 0.019 0.000 0.766 175 S HN 0.610 nan 8.310 nan 0.000 0.528 176 S N 1.394 117.090 115.700 -0.007 0.000 2.554 176 S HA 0.178 4.649 4.470 0.001 0.000 0.226 176 S C 1.760 176.348 174.600 -0.019 0.000 0.980 176 S CA 0.241 58.426 58.200 -0.025 0.000 0.939 176 S CB 0.258 63.425 63.200 -0.055 0.000 0.832 176 S HN 0.793 nan 8.310 nan 0.000 0.486 177 S N 2.972 118.677 115.700 0.008 0.000 2.399 177 S HA -0.146 4.325 4.470 0.001 0.000 0.231 177 S C 1.651 176.256 174.600 0.007 0.000 1.022 177 S CA 0.956 59.172 58.200 0.026 0.000 0.983 177 S CB -0.417 62.824 63.200 0.068 0.000 0.803 177 S HN 0.384 nan 8.310 nan 0.000 0.480 178 N N 3.132 121.832 118.700 -0.001 0.000 2.043 178 N HA -0.061 4.680 4.740 0.001 0.000 0.193 178 N C 1.524 177.025 175.510 -0.016 0.000 1.037 178 N CA 1.620 54.664 53.050 -0.010 0.000 0.851 178 N CB -0.833 37.647 38.487 -0.012 0.000 1.027 178 N HN 0.485 nan 8.380 nan 0.000 0.422 179 N N 0.851 119.537 118.700 -0.023 0.000 2.270 179 N HA 0.046 4.787 4.740 0.001 0.000 0.181 179 N C 1.944 177.431 175.510 -0.038 0.000 1.016 179 N CA 0.260 53.290 53.050 -0.034 0.000 0.870 179 N CB -0.112 38.348 38.487 -0.045 0.000 0.979 179 N HN 0.289 nan 8.380 nan 0.000 0.431 180 I N 1.241 121.788 120.570 -0.039 0.000 2.151 180 I HA -0.280 3.890 4.170 0.001 0.000 0.243 180 I C 2.142 178.247 176.117 -0.020 0.000 1.080 180 I CA 1.069 62.347 61.300 -0.037 0.000 1.339 180 I CB -0.240 37.740 38.000 -0.034 0.000 1.039 180 I HN 0.072 nan 8.210 nan 0.000 0.409 181 L N 0.202 121.421 121.223 -0.008 0.000 2.046 181 L HA -0.223 4.118 4.340 0.001 0.000 0.208 181 L C 2.510 179.383 176.870 0.006 0.000 1.077 181 L CA 1.432 56.271 54.840 -0.000 0.000 0.747 181 L CB -0.402 41.659 42.059 0.003 0.000 0.896 181 L HN 0.214 nan 8.230 nan 0.000 0.432 182 I N -0.113 120.456 120.570 -0.001 0.000 2.127 182 I HA -0.325 3.846 4.170 0.001 0.000 0.241 182 I C 2.807 178.920 176.117 -0.005 0.000 1.075 182 I CA 1.466 62.766 61.300 0.001 0.000 1.334 182 I CB -0.561 37.430 38.000 -0.015 0.000 1.040 182 I HN 0.194 nan 8.210 nan 0.000 0.405 183 A N 0.734 123.541 122.820 -0.021 0.000 1.902 183 A HA -0.160 4.161 4.320 0.001 0.000 0.217 183 A C 2.333 179.903 177.584 -0.024 0.000 1.181 183 A CA 1.599 53.620 52.037 -0.028 0.000 0.623 183 A CB -0.841 18.132 19.000 -0.045 0.000 0.818 183 A HN 0.399 nan 8.150 nan 0.000 0.443 184 I N -0.572 119.984 120.570 -0.023 0.000 2.163 184 I HA -0.176 3.995 4.170 0.001 0.000 0.240 184 I C 2.232 178.335 176.117 -0.023 0.000 1.081 184 I CA 1.087 62.372 61.300 -0.026 0.000 1.353 184 I CB -0.228 37.757 38.000 -0.025 0.000 1.054 184 I HN 0.137 nan 8.210 nan 0.000 0.407 185 V N 0.328 120.236 119.914 -0.010 0.000 2.759 185 V HA -0.241 3.880 4.120 0.001 0.000 0.256 185 V C 2.317 178.416 176.094 0.009 0.000 1.080 185 V CA 1.419 63.714 62.300 -0.008 0.000 1.101 185 V CB -0.732 31.107 31.823 0.027 0.000 0.698 185 V HN 0.461 nan 8.190 nan 0.000 0.477 186 Q N 0.393 120.202 119.800 0.015 0.000 2.096 186 Q HA -0.171 4.170 4.340 0.001 0.000 0.204 186 Q C 2.364 178.361 176.000 -0.006 0.000 0.982 186 Q CA 1.841 57.650 55.803 0.010 0.000 0.850 186 Q CB -0.497 28.242 28.738 0.001 0.000 0.901 186 Q HN 0.705 nan 8.270 nan 0.000 0.422 187 G N -0.186 108.604 108.800 -0.017 0.000 2.484 187 G HA2 -0.044 3.917 3.960 0.001 0.000 0.218 187 G HA3 -0.044 3.917 3.960 0.001 0.000 0.218 187 G C 1.290 176.172 174.900 -0.031 0.000 1.130 187 G CA 0.648 45.734 45.100 -0.023 0.000 0.784 187 G HN 0.384 nan 8.290 nan 0.000 0.543 188 A N 0.231 123.028 122.820 -0.039 0.000 2.030 188 A HA 0.206 4.527 4.320 0.001 0.000 0.215 188 A C 1.644 179.188 177.584 -0.066 0.000 1.164 188 A CA 0.565 52.567 52.037 -0.059 0.000 0.697 188 A CB -0.290 18.663 19.000 -0.079 0.000 0.827 188 A HN 0.556 nan 8.150 nan 0.000 0.457 189 Q N 0.498 120.267 119.800 -0.053 0.000 2.432 189 Q HA 0.187 4.528 4.340 0.001 0.000 0.264 189 Q C 0.882 176.858 176.000 -0.041 0.000 1.035 189 Q CA 0.474 56.245 55.803 -0.052 0.000 0.908 189 Q CB 0.379 29.111 28.738 -0.010 0.000 1.280 189 Q HN 0.333 nan 8.270 nan 0.000 0.455 190 S N 1.614 117.287 115.700 -0.044 0.000 2.419 190 S HA -0.175 4.296 4.470 0.001 0.000 0.233 190 S C 1.603 176.190 174.600 -0.022 0.000 1.016 190 S CA 1.501 59.679 58.200 -0.036 0.000 0.974 190 S CB -0.642 62.536 63.200 -0.037 0.000 0.786 190 S HN 0.755 nan 8.310 nan 0.000 0.492 191 T N 1.627 116.173 114.554 -0.013 0.000 2.737 191 T HA -0.110 4.241 4.350 0.001 0.000 0.269 191 T C 0.727 175.421 174.700 -0.010 0.000 1.040 191 T CA 1.656 63.751 62.100 -0.007 0.000 1.142 191 T CB -0.590 68.278 68.868 0.000 0.000 0.861 191 T HN 0.647 nan 8.240 nan 0.000 0.456 192 E N 1.261 121.453 120.200 -0.013 0.000 2.493 192 E HA 0.019 4.370 4.350 0.001 0.000 0.255 192 E C 0.932 177.523 176.600 -0.014 0.000 0.999 192 E CA 0.415 56.806 56.400 -0.014 0.000 0.934 192 E CB 0.519 30.209 29.700 -0.018 0.000 0.940 192 E HN 0.061 nan 8.360 nan 0.000 0.473 193 T N 2.178 116.726 114.554 -0.011 0.000 2.942 193 T HA -0.043 4.308 4.350 0.001 0.000 0.265 193 T C 0.557 175.251 174.700 -0.009 0.000 1.062 193 T CA 0.996 63.090 62.100 -0.009 0.000 1.139 193 T CB 0.024 68.888 68.868 -0.007 0.000 0.883 193 T HN 0.397 nan 8.240 nan 0.000 0.468 194 S N 1.330 117.024 115.700 -0.010 0.000 2.475 194 S HA 0.241 4.712 4.470 0.001 0.000 0.281 194 S C 1.269 175.862 174.600 -0.012 0.000 1.198 194 S CA -0.753 57.441 58.200 -0.009 0.000 1.063 194 S CB 1.100 64.294 63.200 -0.009 0.000 0.972 194 S HN 0.416 nan 8.310 nan 0.000 0.486 195 K N 4.676 125.070 120.400 -0.010 0.000 2.057 195 K HA -0.097 4.224 4.320 0.001 0.000 0.207 195 K C 1.892 178.485 176.600 -0.012 0.000 1.049 195 K CA 1.596 57.876 56.287 -0.011 0.000 0.931 195 K CB -0.618 31.878 32.500 -0.007 0.000 0.714 195 K HN 0.703 nan 8.250 nan 0.000 0.440 196 A N 0.965 123.780 122.820 -0.010 0.000 1.933 196 A HA -0.064 4.257 4.320 0.001 0.000 0.218 196 A C 2.241 179.815 177.584 -0.016 0.000 1.175 196 A CA 1.509 53.540 52.037 -0.010 0.000 0.628 196 A CB -0.483 18.514 19.000 -0.006 0.000 0.814 196 A HN 0.192 nan 8.150 nan 0.000 0.444 197 V N -0.156 119.748 119.914 -0.016 0.000 2.323 197 V HA -0.212 3.909 4.120 0.001 0.000 0.244 197 V C 2.598 178.676 176.094 -0.026 0.000 1.041 197 V CA 2.013 64.302 62.300 -0.020 0.000 1.025 197 V CB -0.750 31.063 31.823 -0.017 0.000 0.656 197 V HN 0.508 nan 8.190 nan 0.000 0.451 198 R N -0.475 120.010 120.500 -0.025 0.000 2.096 198 R HA -0.104 4.237 4.340 0.001 0.000 0.235 198 R C 2.265 178.544 176.300 -0.034 0.000 1.127 198 R CA 1.357 57.438 56.100 -0.032 0.000 0.968 198 R CB -0.366 29.915 30.300 -0.031 0.000 0.861 198 R HN 0.425 nan 8.270 nan 0.000 0.440 199 L N -0.229 120.977 121.223 -0.028 0.000 2.044 199 L HA -0.085 4.256 4.340 0.001 0.000 0.205 199 L C 2.682 179.530 176.870 -0.036 0.000 1.075 199 L CA 1.000 55.823 54.840 -0.028 0.000 0.747 199 L CB -0.551 41.496 42.059 -0.019 0.000 0.903 199 L HN 0.202 nan 8.230 nan 0.000 0.435 200 A N 0.215 123.012 122.820 -0.038 0.000 1.892 200 A HA -0.291 4.030 4.320 0.001 0.000 0.218 200 A C 2.485 180.035 177.584 -0.055 0.000 1.188 200 A CA 2.177 54.183 52.037 -0.052 0.000 0.631 200 A CB -0.832 18.141 19.000 -0.045 0.000 0.822 200 A HN 0.444 nan 8.150 nan 0.000 0.447 201 A N -0.555 122.237 122.820 -0.046 0.000 1.873 201 A HA -0.003 4.317 4.320 0.001 0.000 0.215 201 A C 2.202 179.756 177.584 -0.049 0.000 1.186 201 A CA 1.496 53.505 52.037 -0.047 0.000 0.616 201 A CB -0.596 18.378 19.000 -0.043 0.000 0.823 201 A HN 0.477 nan 8.150 nan 0.000 0.442 202 L N -0.243 120.950 121.223 -0.050 0.000 2.056 202 L HA -0.194 4.147 4.340 0.001 0.000 0.207 202 L C 2.332 179.178 176.870 -0.040 0.000 1.078 202 L CA 1.152 55.962 54.840 -0.050 0.000 0.749 202 L CB -0.685 41.344 42.059 -0.051 0.000 0.901 202 L HN 0.358 nan 8.230 nan 0.000 0.433 203 N N 0.546 119.222 118.700 -0.042 0.000 2.069 203 N HA -0.179 4.561 4.740 0.001 0.000 0.191 203 N C 1.890 177.370 175.510 -0.050 0.000 1.031 203 N CA 1.674 54.697 53.050 -0.044 0.000 0.852 203 N CB -0.431 38.022 38.487 -0.058 0.000 1.018 203 N HN 0.319 nan 8.380 nan 0.000 0.423 204 A N 0.978 123.762 122.820 -0.061 0.000 1.933 204 A HA -0.093 4.228 4.320 0.001 0.000 0.218 204 A C 2.235 179.809 177.584 -0.016 0.000 1.175 204 A CA 0.971 52.977 52.037 -0.053 0.000 0.628 204 A CB -0.709 18.254 19.000 -0.061 0.000 0.814 204 A HN 0.229 nan 8.150 nan 0.000 0.444 205 L N -0.117 121.094 121.223 -0.021 0.000 1.994 205 L HA -0.099 4.242 4.340 0.001 0.000 0.208 205 L C 2.741 179.620 176.870 0.015 0.000 1.071 205 L CA 2.262 57.097 54.840 -0.008 0.000 0.745 205 L CB -0.998 41.040 42.059 -0.035 0.000 0.892 205 L HN 0.365 nan 8.230 nan 0.000 0.431 206 A N -0.626 122.198 122.820 0.006 0.000 1.903 206 A HA -0.293 4.028 4.320 0.001 0.000 0.219 206 A C 2.015 179.624 177.584 0.042 0.000 1.191 206 A CA 2.200 54.252 52.037 0.023 0.000 0.638 206 A CB -1.056 17.952 19.000 0.013 0.000 0.823 206 A HN 0.587 nan 8.150 nan 0.000 0.451 207 D N -0.182 120.240 120.400 0.038 0.000 2.149 207 D HA -0.124 4.517 4.640 0.001 0.000 0.198 207 D C 2.317 178.707 176.300 0.150 0.000 0.990 207 D CA 1.752 55.796 54.000 0.074 0.000 0.839 207 D CB -0.375 40.453 40.800 0.047 0.000 0.948 207 D HN 0.620 nan 8.370 nan 0.000 0.460 208 S N -0.131 115.653 115.700 0.140 0.000 2.522 208 S HA 0.013 4.484 4.470 0.001 0.000 0.227 208 S C 2.117 176.857 174.600 0.235 0.000 0.986 208 S CA -0.014 58.327 58.200 0.235 0.000 0.929 208 S CB -0.399 62.883 63.200 0.136 0.000 0.769 208 S HN 0.206 nan 8.310 nan 0.000 0.529 209 L N 0.687 121.995 121.223 0.141 0.000 2.079 209 L HA -0.020 4.321 4.340 0.001 0.000 0.210 209 L C 2.240 179.197 176.870 0.145 0.000 1.081 209 L CA 1.347 56.289 54.840 0.169 0.000 0.752 209 L CB -0.611 41.555 42.059 0.179 0.000 0.896 209 L HN 0.349 nan 8.230 nan 0.000 0.433 210 I N -1.237 119.277 120.570 -0.093 0.000 3.176 210 I HA -0.211 3.959 4.170 0.001 0.000 0.275 210 I C 1.187 177.029 176.117 -0.458 0.000 1.298 210 I CA 0.907 62.010 61.300 -0.329 0.000 1.445 210 I CB -0.042 37.632 38.000 -0.544 0.000 1.075 210 I HN 0.136 nan 8.210 nan 0.000 0.482 211 F N 0.095 120.106 119.950 0.102 0.000 2.695 211 F HA 0.240 4.768 4.527 0.002 0.000 0.303 211 F C 1.537 177.382 175.800 0.074 0.000 1.091 211 F CA -0.015 58.030 58.000 0.076 0.000 1.300 211 F CB -0.050 38.979 39.000 0.048 0.000 1.071 211 F HN 0.007 nan 8.300 nan 0.000 0.578 212 I N -3.003 117.691 120.570 0.207 0.000 3.927 212 I HA 0.280 4.451 4.170 0.001 0.000 0.332 212 I C 1.196 177.347 176.117 0.056 0.000 1.485 212 I CA -0.248 61.117 61.300 0.108 0.000 1.131 212 I CB -0.051 37.973 38.000 0.039 0.000 1.092 212 I HN -0.221 nan 8.210 nan 0.000 0.410 213 K N 1.664 122.169 120.400 0.173 0.000 2.034 213 K HA -0.187 4.134 4.320 0.001 0.000 0.214 213 K C 1.594 178.233 176.600 0.065 0.000 1.051 213 K CA 1.997 58.411 56.287 0.211 0.000 0.931 213 K CB -1.065 31.577 32.500 0.237 0.000 0.715 213 K HN 0.335 nan 8.250 nan 0.000 0.446 214 N N 0.786 119.521 118.700 0.058 0.000 2.137 214 N HA -0.133 4.608 4.740 0.001 0.000 0.190 214 N C 1.307 176.796 175.510 -0.035 0.000 1.017 214 N CA 1.254 54.318 53.050 0.023 0.000 0.859 214 N CB -0.432 38.077 38.487 0.037 0.000 1.002 214 N HN 0.358 nan 8.380 nan 0.000 0.428 215 N N 0.317 118.981 118.700 -0.060 0.000 2.171 215 N HA -0.042 4.699 4.740 0.001 0.000 0.184 215 N C 1.569 176.957 175.510 -0.205 0.000 1.021 215 N CA 0.788 53.776 53.050 -0.103 0.000 0.854 215 N CB -0.116 38.322 38.487 -0.083 0.000 0.994 215 N HN 0.213 nan 8.380 nan 0.000 0.426 216 M N 1.465 120.873 119.600 -0.320 0.000 2.213 216 M HA -0.090 4.391 4.480 0.001 0.000 0.263 216 M C 1.428 177.302 176.300 -0.711 0.000 1.062 216 M CA 1.240 56.189 55.300 -0.585 0.000 1.105 216 M CB -0.905 31.144 32.600 -0.918 0.000 1.385 216 M HN 0.161 nan 8.290 nan 0.000 0.417 217 E N -0.135 119.818 120.200 -0.412 0.000 2.418 217 E HA -0.051 4.300 4.350 0.001 0.000 0.197 217 E C 0.196 176.691 176.600 -0.175 0.000 1.026 217 E CA 0.209 56.448 56.400 -0.268 0.000 0.862 217 E CB 0.030 29.733 29.700 0.005 0.000 0.799 217 E HN 0.453 nan 8.360 nan 0.000 0.518 218 R N 1.403 121.798 120.500 -0.176 0.000 2.204 218 R HA 0.092 4.432 4.340 0.001 0.000 0.341 218 R C 0.853 177.089 176.300 -0.106 0.000 1.035 218 R CA -0.118 55.921 56.100 -0.102 0.000 0.887 218 R CB 0.801 31.058 30.300 -0.071 0.000 1.114 218 R HN 0.146 nan 8.270 nan 0.000 0.473 219 E N 3.043 123.205 120.200 -0.062 0.000 2.070 219 E HA -0.216 4.135 4.350 0.001 0.000 0.197 219 E C 1.701 178.300 176.600 -0.002 0.000 1.004 219 E CA 1.846 58.230 56.400 -0.026 0.000 0.805 219 E CB -0.003 29.700 29.700 0.006 0.000 0.744 219 E HN 0.841 nan 8.360 nan 0.000 0.451 220 G N 0.407 109.203 108.800 -0.007 0.000 2.422 220 G HA2 -0.267 3.694 3.960 0.001 0.000 0.218 220 G HA3 -0.267 3.694 3.960 0.001 0.000 0.218 220 G C 1.336 176.247 174.900 0.018 0.000 1.146 220 G CA 0.854 45.958 45.100 0.007 0.000 0.769 220 G HN 0.333 nan 8.290 nan 0.000 0.547 221 E N -0.193 119.998 120.200 -0.014 0.000 2.046 221 E HA -0.063 4.288 4.350 0.001 0.000 0.190 221 E C 2.517 179.100 176.600 -0.028 0.000 0.982 221 E CA 0.435 56.831 56.400 -0.006 0.000 0.800 221 E CB -0.135 29.537 29.700 -0.047 0.000 0.756 221 E HN 0.336 nan 8.360 nan 0.000 0.449 222 R N 1.054 121.494 120.500 -0.100 0.000 2.083 222 R HA -0.182 4.159 4.340 0.001 0.000 0.237 222 R C 1.963 178.199 176.300 -0.107 0.000 1.137 222 R CA 1.737 57.737 56.100 -0.166 0.000 0.951 222 R CB -0.086 30.090 30.300 -0.207 0.000 0.851 222 R HN 0.097 nan 8.270 nan 0.000 0.434 223 N N -0.121 118.608 118.700 0.049 0.000 2.069 223 N HA -0.224 4.517 4.740 0.001 0.000 0.191 223 N C 1.531 177.066 175.510 0.043 0.000 1.031 223 N CA 1.429 54.556 53.050 0.128 0.000 0.852 223 N CB -0.667 37.915 38.487 0.159 0.000 1.018 223 N HN 0.324 nan 8.380 nan 0.000 0.423 224 Y N 1.305 121.568 120.300 -0.061 0.000 2.200 224 Y HA -0.102 4.449 4.550 0.001 0.000 0.290 224 Y C 2.252 178.086 175.900 -0.110 0.000 1.137 224 Y CA 0.884 58.940 58.100 -0.073 0.000 1.163 224 Y CB -0.613 37.809 38.460 -0.064 0.000 0.988 224 Y HN -0.019 nan 8.280 nan 0.000 0.518 225 L N -0.077 121.033 121.223 -0.189 0.000 1.989 225 L HA -0.271 4.070 4.340 0.001 0.000 0.211 225 L C 2.154 178.806 176.870 -0.362 0.000 1.071 225 L CA 2.068 56.727 54.840 -0.300 0.000 0.749 225 L CB -0.873 41.062 42.059 -0.207 0.000 0.890 225 L HN 0.248 nan 8.230 nan 0.000 0.431 226 M N -0.956 118.410 119.600 -0.390 0.000 2.149 226 M HA -0.248 4.233 4.480 0.001 0.000 0.261 226 M C 2.295 178.393 176.300 -0.337 0.000 1.064 226 M CA 1.791 56.815 55.300 -0.460 0.000 1.102 226 M CB -1.280 30.806 32.600 -0.855 0.000 1.369 226 M HN 0.542 nan 8.290 nan 0.000 0.408 227 Q N 0.268 119.900 119.800 -0.281 0.000 2.061 227 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 227 Q C 1.985 177.812 176.000 -0.289 0.000 0.984 227 Q CA 1.892 57.560 55.803 -0.226 0.000 0.846 227 Q CB 0.081 28.722 28.738 -0.161 0.000 0.902 227 Q HN 0.328 nan 8.270 nan 0.000 0.421 228 V N -0.001 119.659 119.914 -0.423 0.000 2.295 228 V HA -0.239 3.882 4.120 0.001 0.000 0.246 228 V C 2.339 178.267 176.094 -0.277 0.000 1.049 228 V CA 1.518 63.592 62.300 -0.376 0.000 1.024 228 V CB -0.453 31.087 31.823 -0.471 0.000 0.648 228 V HN 0.277 nan 8.190 nan 0.000 0.447 229 V N -0.884 118.858 119.914 -0.286 0.000 2.295 229 V HA -0.307 3.814 4.120 0.001 0.000 0.246 229 V C 2.568 178.488 176.094 -0.290 0.000 1.049 229 V CA 2.340 64.482 62.300 -0.264 0.000 1.024 229 V CB -0.769 30.895 31.823 -0.265 0.000 0.648 229 V HN 0.644 nan 8.190 nan 0.000 0.447 230 C N -0.330 118.796 119.300 -0.291 0.000 2.413 230 C HA -0.165 4.296 4.460 0.001 0.000 0.276 230 C C 2.828 177.680 174.990 -0.229 0.000 1.236 230 C CA 1.191 60.039 59.018 -0.284 0.000 1.735 230 C CB -0.977 26.631 27.740 -0.220 0.000 2.031 230 C HN 0.650 nan 8.230 nan 0.000 0.474 231 E N 1.431 121.519 120.200 -0.186 0.000 2.086 231 E HA -0.232 4.119 4.350 0.001 0.000 0.200 231 E C 2.217 178.733 176.600 -0.140 0.000 1.012 231 E CA 2.160 58.474 56.400 -0.142 0.000 0.812 231 E CB -0.398 29.225 29.700 -0.128 0.000 0.743 231 E HN 0.585 nan 8.360 nan 0.000 0.453 232 A N 0.253 122.974 122.820 -0.164 0.000 2.015 232 A HA -0.129 4.192 4.320 0.001 0.000 0.219 232 A C 2.359 179.852 177.584 -0.152 0.000 1.163 232 A CA 2.290 54.243 52.037 -0.140 0.000 0.646 232 A CB -0.961 17.957 19.000 -0.138 0.000 0.806 232 A HN 0.500 nan 8.150 nan 0.000 0.448 233 T N -2.905 111.497 114.554 -0.253 0.000 2.962 233 T HA -0.100 4.250 4.350 0.001 0.000 0.270 233 T C 1.363 175.997 174.700 -0.110 0.000 1.088 233 T CA 1.304 63.216 62.100 -0.314 0.000 1.127 233 T CB -0.192 68.201 68.868 -0.792 0.000 0.883 233 T HN 0.397 nan 8.240 nan 0.000 0.493 234 Q N 0.913 120.650 119.800 -0.105 0.000 2.320 234 Q HA 0.511 4.852 4.340 0.001 0.000 0.201 234 Q C 0.871 176.854 176.000 -0.028 0.000 0.910 234 Q CA 0.047 55.823 55.803 -0.044 0.000 0.946 234 Q CB -0.043 28.662 28.738 -0.055 0.000 1.062 234 Q HN 0.746 nan 8.270 nan 0.000 0.503 235 A N 1.173 123.973 122.820 -0.033 0.000 2.425 235 A HA 0.077 4.397 4.320 0.001 0.000 0.242 235 A C 1.168 178.749 177.584 -0.005 0.000 1.077 235 A CA -0.217 51.806 52.037 -0.023 0.000 0.781 235 A CB 0.564 19.546 19.000 -0.030 0.000 1.020 235 A HN 0.012 nan 8.150 nan 0.000 0.494 236 E N 0.648 120.845 120.200 -0.006 0.000 2.077 236 E HA -0.147 4.204 4.350 0.001 0.000 0.193 236 E C 0.219 176.822 176.600 0.004 0.000 0.989 236 E CA 1.138 57.538 56.400 0.000 0.000 0.800 236 E CB -0.343 29.356 29.700 -0.002 0.000 0.746 236 E HN 0.843 nan 8.360 nan 0.000 0.452 237 D N 0.170 120.571 120.400 0.002 0.000 2.383 237 D HA 0.018 4.659 4.640 0.001 0.000 0.252 237 D C 1.093 177.401 176.300 0.014 0.000 1.166 237 D CA -0.026 53.977 54.000 0.005 0.000 0.879 237 D CB 0.616 41.416 40.800 0.000 0.000 1.164 237 D HN -0.066 nan 8.370 nan 0.000 0.462 238 I N 3.061 123.641 120.570 0.017 0.000 2.439 238 I HA -0.162 4.009 4.170 0.001 0.000 0.251 238 I C 1.485 177.620 176.117 0.030 0.000 1.139 238 I CA 0.996 62.311 61.300 0.026 0.000 1.438 238 I CB 0.105 38.117 38.000 0.019 0.000 1.085 238 I HN 0.567 nan 8.210 nan 0.000 0.427 239 E N -0.111 120.101 120.200 0.020 0.000 2.150 239 E HA -0.166 4.185 4.350 0.001 0.000 0.193 239 E C 2.229 178.840 176.600 0.019 0.000 0.985 239 E CA 1.151 57.562 56.400 0.019 0.000 0.814 239 E CB 0.085 29.792 29.700 0.011 0.000 0.752 239 E HN 0.383 nan 8.360 nan 0.000 0.466 240 V N 1.475 121.397 119.914 0.012 0.000 2.358 240 V HA -0.275 3.845 4.120 0.001 0.000 0.246 240 V C 2.247 178.349 176.094 0.013 0.000 1.047 240 V CA 1.742 64.043 62.300 0.001 0.000 1.035 240 V CB -0.474 31.342 31.823 -0.013 0.000 0.658 240 V HN 0.241 nan 8.190 nan 0.000 0.452 241 Q N -0.054 119.772 119.800 0.043 0.000 2.061 241 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 241 Q C 2.443 178.557 176.000 0.191 0.000 0.984 241 Q CA 1.970 57.840 55.803 0.111 0.000 0.846 241 Q CB -0.499 28.334 28.738 0.158 0.000 0.902 241 Q HN 0.670 nan 8.270 nan 0.000 0.421 242 A N 1.199 124.100 122.820 0.134 0.000 1.892 242 A HA -0.218 4.103 4.320 0.001 0.000 0.218 242 A C 2.324 179.974 177.584 0.110 0.000 1.188 242 A CA 1.913 54.025 52.037 0.125 0.000 0.631 242 A CB -1.001 18.038 19.000 0.065 0.000 0.822 242 A HN 0.433 nan 8.150 nan 0.000 0.447 243 A N -0.406 122.448 122.820 0.057 0.000 1.902 243 A HA 0.182 4.503 4.320 0.001 0.000 0.217 243 A C 2.517 180.105 177.584 0.007 0.000 1.181 243 A CA 2.126 54.178 52.037 0.025 0.000 0.623 243 A CB -1.021 17.978 19.000 -0.001 0.000 0.818 243 A HN 1.102 nan 8.150 nan 0.000 0.443 244 A N -1.243 121.564 122.820 -0.022 0.000 1.902 244 A HA -0.014 4.307 4.320 0.001 0.000 0.217 244 A C 1.947 179.435 177.584 -0.161 0.000 1.181 244 A CA 1.508 53.474 52.037 -0.119 0.000 0.623 244 A CB -0.745 18.141 19.000 -0.189 0.000 0.818 244 A HN 0.447 nan 8.150 nan 0.000 0.443 245 F N 0.540 120.445 119.950 -0.074 0.000 2.216 245 F HA -0.029 4.499 4.527 0.001 0.000 0.300 245 F C 2.587 178.378 175.800 -0.016 0.000 1.085 245 F CA 1.035 58.991 58.000 -0.072 0.000 1.326 245 F CB -0.741 38.228 39.000 -0.052 0.000 1.027 245 F HN 0.282 nan 8.300 nan 0.000 0.497 246 G N -0.990 107.908 108.800 0.164 0.000 2.446 246 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 246 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 246 G C 1.849 176.791 174.900 0.070 0.000 1.168 246 G CA 1.236 46.399 45.100 0.105 0.000 0.771 246 G HN 0.425 nan 8.290 nan 0.000 0.551 247 C N 0.020 119.332 119.300 0.021 0.000 2.413 247 C HA 0.045 4.506 4.460 0.001 0.000 0.276 247 C C 2.901 177.897 174.990 0.010 0.000 1.236 247 C CA 0.606 59.623 59.018 -0.001 0.000 1.735 247 C CB -1.076 26.629 27.740 -0.057 0.000 2.031 247 C HN 0.453 nan 8.230 nan 0.000 0.474 248 L N -0.145 121.056 121.223 -0.037 0.000 2.042 248 L HA -0.236 4.105 4.340 0.001 0.000 0.210 248 L C 2.653 179.634 176.870 0.186 0.000 1.076 248 L CA 1.611 56.441 54.840 -0.018 0.000 0.749 248 L CB -0.541 41.367 42.059 -0.251 0.000 0.893 248 L HN 0.501 nan 8.230 nan 0.000 0.432 249 C N -0.651 118.789 119.300 0.234 0.000 2.446 249 C HA -0.144 4.317 4.460 0.001 0.000 0.277 249 C C 2.782 177.861 174.990 0.147 0.000 1.275 249 C CA 0.480 59.649 59.018 0.252 0.000 1.727 249 C CB -0.661 27.214 27.740 0.224 0.000 2.010 249 C HN 0.403 nan 8.230 nan 0.000 0.486 250 K N 0.580 121.046 120.400 0.111 0.000 2.057 250 K HA -0.067 4.254 4.320 0.001 0.000 0.207 250 K C 1.774 178.436 176.600 0.104 0.000 1.049 250 K CA 1.309 57.643 56.287 0.078 0.000 0.931 250 K CB -0.309 32.227 32.500 0.060 0.000 0.714 250 K HN 0.518 nan 8.250 nan 0.000 0.440 251 I N 0.783 121.441 120.570 0.148 0.000 2.226 251 I HA -0.309 3.862 4.170 0.001 0.000 0.245 251 I C 2.562 178.828 176.117 0.249 0.000 1.100 251 I CA 0.931 62.377 61.300 0.245 0.000 1.374 251 I CB -0.160 37.941 38.000 0.169 0.000 1.057 251 I HN 0.175 nan 8.210 nan 0.000 0.413 252 M N 0.308 120.031 119.600 0.204 0.000 2.108 252 M HA -0.224 4.256 4.480 0.001 0.000 0.261 252 M C 2.451 178.875 176.300 0.207 0.000 1.066 252 M CA 2.046 57.468 55.300 0.203 0.000 1.107 252 M CB -0.527 32.139 32.600 0.110 0.000 1.356 252 M HN 0.148 nan 8.290 nan 0.000 0.406 253 S N -0.524 115.247 115.700 0.119 0.000 2.383 253 S HA -0.102 4.369 4.470 0.001 0.000 0.227 253 S C 1.932 176.529 174.600 -0.005 0.000 1.026 253 S CA 1.168 59.401 58.200 0.056 0.000 0.981 253 S CB -0.206 63.004 63.200 0.015 0.000 0.818 253 S HN 0.499 nan 8.310 nan 0.000 0.472 254 K N -0.319 120.036 120.400 -0.076 0.000 2.211 254 K HA 0.118 4.439 4.320 0.001 0.000 0.201 254 K C 0.182 176.499 176.600 -0.472 0.000 1.052 254 K CA 0.782 56.850 56.287 -0.364 0.000 0.973 254 K CB -0.150 31.964 32.500 -0.643 0.000 0.766 254 K HN 0.513 nan 8.250 nan 0.000 0.466 255 Y N -0.616 119.807 120.300 0.205 0.000 2.713 255 Y HA 0.128 4.679 4.550 0.001 0.000 0.269 255 Y C 1.162 177.251 175.900 0.315 0.000 1.106 255 Y CA -1.218 57.071 58.100 0.313 0.000 1.174 255 Y CB -0.463 38.221 38.460 0.374 0.000 1.186 255 Y HN 0.014 nan 8.280 nan 0.000 0.555 256 Y N 0.728 121.156 120.300 0.214 0.000 2.132 256 Y HA -0.400 4.151 4.550 0.001 0.000 0.280 256 Y C 2.562 178.635 175.900 0.289 0.000 1.193 256 Y CA 2.527 60.765 58.100 0.231 0.000 1.157 256 Y CB -0.290 38.233 38.460 0.106 0.000 0.966 256 Y HN 0.251 nan 8.280 nan 0.000 0.511 257 T N -0.566 114.142 114.554 0.257 0.000 2.897 257 T HA -0.187 4.164 4.350 0.001 0.000 0.271 257 T C 1.005 175.692 174.700 -0.022 0.000 1.084 257 T CA 1.590 63.727 62.100 0.062 0.000 1.123 257 T CB -0.544 68.167 68.868 -0.261 0.000 0.865 257 T HN 0.333 nan 8.240 nan 0.000 0.496 258 F N -0.080 120.053 119.950 0.305 0.000 2.727 258 F HA 0.416 4.945 4.527 0.002 0.000 0.302 258 F C 1.723 177.668 175.800 0.241 0.000 1.097 258 F CA -0.186 57.961 58.000 0.244 0.000 1.330 258 F CB -0.062 39.094 39.000 0.259 0.000 1.084 258 F HN 0.130 nan 8.300 nan 0.000 0.578 259 M N -0.252 119.541 119.600 0.320 0.000 2.558 259 M HA -0.021 4.460 4.480 0.001 0.000 0.255 259 M C 2.194 178.541 176.300 0.079 0.000 1.113 259 M CA 0.728 56.193 55.300 0.274 0.000 1.097 259 M CB -0.688 31.985 32.600 0.122 0.000 1.426 259 M HN 0.157 nan 8.290 nan 0.000 0.488 260 K N 1.175 121.535 120.400 -0.066 0.000 2.009 260 K HA -0.167 4.154 4.320 0.001 0.000 0.210 260 K C -0.918 175.564 176.600 -0.196 0.000 1.049 260 K CA 1.623 57.819 56.287 -0.153 0.000 0.929 260 K CB -0.818 31.274 32.500 -0.680 0.000 0.714 260 K HN 0.100 nan 8.250 nan 0.000 0.440 261 P HA -0.150 nan 4.420 nan 0.000 0.216 261 P C 0.702 177.757 177.300 -0.409 0.000 1.150 261 P CA 1.392 64.240 63.100 -0.420 0.000 0.837 261 P CB -0.093 31.237 31.700 -0.618 0.000 0.786 262 Y N -1.821 118.447 120.300 -0.054 0.000 2.220 262 Y HA -0.068 4.483 4.550 0.002 0.000 0.291 262 Y C 2.556 178.409 175.900 -0.079 0.000 1.129 262 Y CA 0.799 58.861 58.100 -0.063 0.000 1.161 262 Y CB -1.329 37.093 38.460 -0.063 0.000 0.997 262 Y HN -0.149 nan 8.280 nan 0.000 0.522 263 M N 0.209 119.787 119.600 -0.036 0.000 2.086 263 M HA -0.216 4.265 4.480 0.001 0.000 0.261 263 M C 1.976 178.278 176.300 0.004 0.000 1.067 263 M CA 1.679 56.908 55.300 -0.119 0.000 1.116 263 M CB -1.057 31.197 32.600 -0.578 0.000 1.348 263 M HN 0.376 nan 8.290 nan 0.000 0.407 264 E N -0.115 120.062 120.200 -0.039 0.000 2.051 264 E HA -0.221 4.130 4.350 0.001 0.000 0.192 264 E C 2.053 178.654 176.600 0.001 0.000 0.991 264 E CA 1.212 57.592 56.400 -0.033 0.000 0.799 264 E CB -0.088 29.574 29.700 -0.064 0.000 0.748 264 E HN 0.614 nan 8.360 nan 0.000 0.449 265 Q N -1.226 118.572 119.800 -0.003 0.000 2.354 265 Q HA 0.087 4.428 4.340 0.001 0.000 0.203 265 Q C 1.196 177.228 176.000 0.053 0.000 0.933 265 Q CA 0.895 56.706 55.803 0.014 0.000 0.901 265 Q CB 0.774 29.506 28.738 -0.010 0.000 1.007 265 Q HN 0.200 nan 8.270 nan 0.000 0.495 266 A N -0.822 122.045 122.820 0.077 0.000 1.535 266 A HA 0.155 4.476 4.320 0.001 0.000 0.215 266 A C 1.465 179.106 177.584 0.094 0.000 1.813 266 A CA -0.285 51.797 52.037 0.075 0.000 1.373 266 A CB -0.464 18.559 19.000 0.037 0.000 1.304 266 A HN 0.133 nan 8.150 nan 0.000 0.391 267 L N -0.397 120.872 121.223 0.076 0.000 2.083 267 L HA -0.160 4.181 4.340 0.001 0.000 0.209 267 L C 2.495 179.481 176.870 0.193 0.000 1.083 267 L CA 2.111 56.973 54.840 0.037 0.000 0.752 267 L CB -0.522 41.520 42.059 -0.028 0.000 0.899 267 L HN 0.698 nan 8.230 nan 0.000 0.433 268 Y N 0.827 121.218 120.300 0.152 0.000 2.070 268 Y HA -0.362 4.188 4.550 0.002 0.000 0.280 268 Y C 2.496 178.561 175.900 0.274 0.000 1.148 268 Y CA 1.728 60.015 58.100 0.312 0.000 1.125 268 Y CB -0.489 38.122 38.460 0.252 0.000 0.975 268 Y HN 0.087 nan 8.280 nan 0.000 0.492 269 A N 0.767 123.734 122.820 0.244 0.000 1.908 269 A HA -0.172 4.149 4.320 0.001 0.000 0.218 269 A C 2.384 179.987 177.584 0.031 0.000 1.181 269 A CA 1.981 54.061 52.037 0.071 0.000 0.627 269 A CB -1.224 17.881 19.000 0.176 0.000 0.818 269 A HN 0.618 nan 8.150 nan 0.000 0.445 270 L N -0.299 120.968 121.223 0.072 0.000 2.027 270 L HA -0.162 4.179 4.340 0.001 0.000 0.206 270 L C 3.051 179.982 176.870 0.101 0.000 1.074 270 L CA 1.963 56.836 54.840 0.054 0.000 0.745 270 L CB -0.915 41.149 42.059 0.008 0.000 0.898 270 L HN 0.687 nan 8.230 nan 0.000 0.433 271 T N -2.541 112.113 114.554 0.167 0.000 2.942 271 T HA -0.070 4.281 4.350 0.001 0.000 0.265 271 T C 1.852 176.710 174.700 0.263 0.000 1.062 271 T CA 0.397 62.678 62.100 0.302 0.000 1.139 271 T CB -0.204 68.944 68.868 0.468 0.000 0.883 271 T HN -0.018 nan 8.240 nan 0.000 0.468 272 I N 2.871 123.524 120.570 0.138 0.000 2.179 272 I HA -0.012 4.158 4.170 0.001 0.000 0.242 272 I C 3.102 179.197 176.117 -0.038 0.000 1.088 272 I CA 0.866 62.137 61.300 -0.049 0.000 1.357 272 I CB -1.874 35.969 38.000 -0.261 0.000 1.051 272 I HN 0.372 nan 8.210 nan 0.000 0.409 273 A N 0.944 123.754 122.820 -0.016 0.000 1.865 273 A HA -0.233 4.088 4.320 0.001 0.000 0.217 273 A C 2.382 179.967 177.584 0.001 0.000 1.191 273 A CA 2.906 54.937 52.037 -0.010 0.000 0.623 273 A CB -1.353 17.651 19.000 0.005 0.000 0.826 273 A HN 0.545 nan 8.150 nan 0.000 0.444 274 T N -2.926 111.646 114.554 0.030 0.000 3.072 274 T HA -0.029 4.322 4.350 0.001 0.000 0.266 274 T C 1.665 176.360 174.700 -0.009 0.000 1.127 274 T CA 1.378 63.491 62.100 0.022 0.000 1.107 274 T CB -0.405 68.498 68.868 0.059 0.000 0.910 274 T HN 0.351 nan 8.240 nan 0.000 0.513 275 M N 0.334 119.932 119.600 -0.004 0.000 2.549 275 M HA 0.079 4.560 4.480 0.001 0.000 0.260 275 M C 1.690 177.960 176.300 -0.050 0.000 1.076 275 M CA 1.244 56.528 55.300 -0.028 0.000 1.090 275 M CB -0.172 32.407 32.600 -0.034 0.000 1.418 275 M HN 0.130 nan 8.290 nan 0.000 0.486 276 K N -0.525 119.849 120.400 -0.043 0.000 2.404 276 K HA 0.101 4.422 4.320 0.001 0.000 0.194 276 K C 0.602 177.180 176.600 -0.036 0.000 1.023 276 K CA -0.127 56.133 56.287 -0.045 0.000 1.094 276 K CB 0.262 32.737 32.500 -0.042 0.000 0.841 276 K HN 0.183 nan 8.250 nan 0.000 0.523 277 S N 2.535 118.216 115.700 -0.031 0.000 2.558 277 S HA 0.008 4.479 4.470 0.001 0.000 0.293 277 S C -1.325 173.256 174.600 -0.031 0.000 1.292 277 S CA -1.147 57.037 58.200 -0.026 0.000 1.063 277 S CB 0.639 63.825 63.200 -0.024 0.000 0.831 277 S HN 0.090 nan 8.310 nan 0.000 0.499 278 P HA -0.064 nan 4.420 nan 0.000 0.230 278 P C 0.074 177.359 177.300 -0.026 0.000 1.158 278 P CA 0.390 63.473 63.100 -0.027 0.000 0.769 278 P CB -0.163 31.523 31.700 -0.022 0.000 0.807 279 N N 1.261 119.947 118.700 -0.023 0.000 2.422 279 N HA 0.001 4.742 4.740 0.001 0.000 0.264 279 N C 0.404 175.898 175.510 -0.027 0.000 1.063 279 N CA 0.021 53.059 53.050 -0.020 0.000 0.959 279 N CB 0.749 39.228 38.487 -0.013 0.000 1.087 279 N HN -0.244 nan 8.380 nan 0.000 0.483 280 D N 2.847 123.232 120.400 -0.025 0.000 2.144 280 D HA -0.167 4.474 4.640 0.001 0.000 0.199 280 D C 1.446 177.731 176.300 -0.025 0.000 0.984 280 D CA 1.374 55.356 54.000 -0.029 0.000 0.834 280 D CB 0.296 41.081 40.800 -0.025 0.000 0.955 280 D HN 0.567 nan 8.370 nan 0.000 0.465 281 K N 0.768 121.159 120.400 -0.016 0.000 2.103 281 K HA -0.041 4.280 4.320 0.001 0.000 0.204 281 K C 1.804 178.378 176.600 -0.043 0.000 1.052 281 K CA 0.679 56.958 56.287 -0.014 0.000 0.945 281 K CB -0.373 32.127 32.500 0.001 0.000 0.722 281 K HN -0.044 nan 8.250 nan 0.000 0.443 282 V N 1.139 121.026 119.914 -0.045 0.000 2.261 282 V HA -0.237 3.884 4.120 0.001 0.000 0.246 282 V C 2.402 178.421 176.094 -0.127 0.000 1.047 282 V CA 2.042 64.297 62.300 -0.074 0.000 1.015 282 V CB -1.060 30.742 31.823 -0.035 0.000 0.642 282 V HN 0.491 nan 8.190 nan 0.000 0.446 283 A N -0.197 122.573 122.820 -0.084 0.000 1.908 283 A HA -0.235 4.085 4.320 0.001 0.000 0.218 283 A C 2.474 180.007 177.584 -0.085 0.000 1.181 283 A CA 2.337 54.325 52.037 -0.081 0.000 0.627 283 A CB -0.846 18.119 19.000 -0.059 0.000 0.818 283 A HN 0.518 nan 8.150 nan 0.000 0.445 284 S N -0.316 115.345 115.700 -0.064 0.000 2.387 284 S HA -0.235 4.236 4.470 0.001 0.000 0.230 284 S C 1.968 176.527 174.600 -0.068 0.000 1.035 284 S CA 1.892 60.075 58.200 -0.028 0.000 1.014 284 S CB -0.467 62.742 63.200 0.014 0.000 0.836 284 S HN 0.594 nan 8.310 nan 0.000 0.466 285 M N 1.088 120.570 119.600 -0.197 0.000 2.108 285 M HA -0.140 4.341 4.480 0.001 0.000 0.261 285 M C 2.644 178.634 176.300 -0.517 0.000 1.066 285 M CA 1.876 56.931 55.300 -0.409 0.000 1.107 285 M CB -1.058 31.078 32.600 -0.774 0.000 1.356 285 M HN 0.558 nan 8.290 nan 0.000 0.406 286 T N -2.061 112.217 114.554 -0.459 0.000 2.857 286 T HA -0.023 4.328 4.350 0.001 0.000 0.266 286 T C 1.719 176.560 174.700 0.235 0.000 1.048 286 T CA 0.977 63.005 62.100 -0.119 0.000 1.139 286 T CB -0.847 68.027 68.868 0.010 0.000 0.874 286 T HN 0.160 nan 8.240 nan 0.000 0.455 287 V N 2.244 122.239 119.914 0.134 0.000 2.255 287 V HA -0.183 3.938 4.120 0.001 0.000 0.247 287 V C 2.879 179.121 176.094 0.247 0.000 1.051 287 V CA 2.428 64.853 62.300 0.209 0.000 1.018 287 V CB -0.950 30.942 31.823 0.114 0.000 0.641 287 V HN 0.542 nan 8.190 nan 0.000 0.445 288 E N 0.075 120.375 120.200 0.166 0.000 2.118 288 E HA -0.270 4.080 4.350 0.001 0.000 0.195 288 E C 1.879 178.605 176.600 0.209 0.000 0.992 288 E CA 1.682 58.181 56.400 0.166 0.000 0.804 288 E CB -0.514 29.258 29.700 0.120 0.000 0.741 288 E HN 0.523 nan 8.360 nan 0.000 0.458 289 F N -0.815 119.180 119.950 0.074 0.000 2.102 289 F HA -0.110 4.418 4.527 0.002 0.000 0.298 289 F C 1.652 177.414 175.800 -0.063 0.000 1.105 289 F CA 1.758 59.768 58.000 0.017 0.000 1.239 289 F CB -0.628 38.392 39.000 0.034 0.000 0.991 289 F HN 0.105 nan 8.300 nan 0.000 0.474 290 W N 0.063 121.426 121.300 0.106 0.000 2.436 290 W HA -0.095 4.565 4.660 0.001 0.000 0.284 290 W C 2.793 179.297 176.519 -0.025 0.000 1.225 290 W CA 1.388 58.748 57.345 0.025 0.000 1.271 290 W CB -0.784 28.842 29.460 0.277 0.000 1.114 290 W HN -0.150 nan 8.180 nan 0.000 0.559 291 S N -0.356 115.484 115.700 0.234 0.000 2.368 291 S HA -0.188 4.283 4.470 0.001 0.000 0.225 291 S C 1.709 176.320 174.600 0.018 0.000 1.030 291 S CA 1.926 60.200 58.200 0.123 0.000 0.999 291 S CB -0.740 62.544 63.200 0.141 0.000 0.844 291 S HN 0.242 nan 8.310 nan 0.000 0.459 292 T N 2.586 117.127 114.554 -0.022 0.000 2.746 292 T HA 0.009 4.360 4.350 0.001 0.000 0.267 292 T C 1.733 176.370 174.700 -0.105 0.000 1.039 292 T CA 1.077 63.141 62.100 -0.061 0.000 1.142 292 T CB -0.416 68.426 68.868 -0.043 0.000 0.866 292 T HN 0.302 nan 8.240 nan 0.000 0.444 293 I N 0.849 121.283 120.570 -0.226 0.000 2.091 293 I HA -0.262 3.909 4.170 0.001 0.000 0.239 293 I C 2.756 178.854 176.117 -0.032 0.000 1.061 293 I CA 1.122 62.352 61.300 -0.115 0.000 1.317 293 I CB -0.555 37.288 38.000 -0.263 0.000 1.031 293 I HN 0.332 nan 8.210 nan 0.000 0.401 294 C N 0.715 119.956 119.300 -0.099 0.000 2.413 294 C HA -0.177 4.284 4.460 0.001 0.000 0.276 294 C C 2.664 177.592 174.990 -0.103 0.000 1.236 294 C CA 1.043 59.968 59.018 -0.155 0.000 1.735 294 C CB -1.198 26.395 27.740 -0.245 0.000 2.031 294 C HN 0.510 nan 8.230 nan 0.000 0.474 295 E N 0.421 120.576 120.200 -0.076 0.000 2.097 295 E HA -0.217 4.134 4.350 0.001 0.000 0.196 295 E C 2.143 178.682 176.600 -0.102 0.000 1.000 295 E CA 1.143 57.500 56.400 -0.072 0.000 0.804 295 E CB -0.174 29.495 29.700 -0.051 0.000 0.740 295 E HN 0.593 nan 8.360 nan 0.000 0.454 296 E N 0.883 121.015 120.200 -0.114 0.000 2.047 296 E HA -0.156 4.195 4.350 0.001 0.000 0.191 296 E C 1.939 178.351 176.600 -0.313 0.000 0.987 296 E CA 0.949 57.226 56.400 -0.204 0.000 0.799 296 E CB -0.130 29.460 29.700 -0.182 0.000 0.752 296 E HN 0.385 nan 8.360 nan 0.000 0.449 297 E N 0.358 120.405 120.200 -0.255 0.000 2.106 297 E HA -0.105 4.246 4.350 0.001 0.000 0.192 297 E C 2.238 178.743 176.600 -0.157 0.000 0.984 297 E CA 0.568 56.824 56.400 -0.239 0.000 0.806 297 E CB -0.129 29.498 29.700 -0.121 0.000 0.750 297 E HN 0.234 nan 8.360 nan 0.000 0.458 298 I N 1.630 122.131 120.570 -0.115 0.000 2.252 298 I HA -0.250 3.921 4.170 0.001 0.000 0.245 298 I C 1.701 177.790 176.117 -0.047 0.000 1.102 298 I CA 1.043 62.303 61.300 -0.068 0.000 1.385 298 I CB -0.164 37.802 38.000 -0.058 0.000 1.064 298 I HN -0.011 nan 8.210 nan 0.000 0.414 299 D N 0.952 121.302 120.400 -0.083 0.000 2.144 299 D HA -0.130 4.511 4.640 0.001 0.000 0.199 299 D C 2.241 178.524 176.300 -0.030 0.000 0.984 299 D CA 1.292 55.263 54.000 -0.050 0.000 0.834 299 D CB -0.226 40.519 40.800 -0.091 0.000 0.955 299 D HN 0.327 nan 8.370 nan 0.000 0.465 300 I N 1.050 121.539 120.570 -0.134 0.000 2.179 300 I HA -0.268 3.903 4.170 0.001 0.000 0.242 300 I C 2.435 178.503 176.117 -0.082 0.000 1.088 300 I CA 1.126 62.335 61.300 -0.152 0.000 1.357 300 I CB -0.251 37.574 38.000 -0.292 0.000 1.051 300 I HN -0.055 nan 8.210 nan 0.000 0.409 301 A N 0.080 122.860 122.820 -0.065 0.000 1.902 301 A HA -0.280 4.040 4.320 0.001 0.000 0.217 301 A C 2.301 179.880 177.584 -0.009 0.000 1.181 301 A CA 1.497 53.509 52.037 -0.041 0.000 0.623 301 A CB -1.067 17.915 19.000 -0.031 0.000 0.818 301 A HN 0.508 nan 8.150 nan 0.000 0.443 302 Y N 0.839 121.089 120.300 -0.084 0.000 2.128 302 Y HA -0.224 4.327 4.550 0.002 0.000 0.284 302 Y C 2.381 178.235 175.900 -0.076 0.000 1.154 302 Y CA 2.260 60.312 58.100 -0.079 0.000 1.149 302 Y CB -0.035 38.381 38.460 -0.073 0.000 0.976 302 Y HN 0.321 nan 8.280 nan 0.000 0.505 303 E N 0.301 120.527 120.200 0.044 0.000 2.110 303 E HA -0.183 4.168 4.350 0.001 0.000 0.193 303 E C 2.299 178.876 176.600 -0.038 0.000 0.988 303 E CA 1.353 57.765 56.400 0.019 0.000 0.804 303 E CB -0.530 29.224 29.700 0.090 0.000 0.745 303 E HN 0.551 nan 8.360 nan 0.000 0.458 304 L N 0.375 121.564 121.223 -0.057 0.000 2.275 304 L HA -0.079 4.262 4.340 0.001 0.000 0.215 304 L C 2.418 179.215 176.870 -0.122 0.000 1.119 304 L CA 0.677 55.482 54.840 -0.058 0.000 0.790 304 L CB -0.398 41.626 42.059 -0.057 0.000 0.919 304 L HN 0.043 nan 8.230 nan 0.000 0.443 305 A N -0.286 122.412 122.820 -0.204 0.000 1.877 305 A HA -0.252 4.069 4.320 0.001 0.000 0.216 305 A C 2.207 179.586 177.584 -0.341 0.000 1.186 305 A CA 1.587 53.468 52.037 -0.260 0.000 0.620 305 A CB -0.329 18.476 19.000 -0.324 0.000 0.822 305 A HN 0.329 nan 8.150 nan 0.000 0.443 306 Q N -1.323 118.176 119.800 -0.503 0.000 2.049 306 Q HA 0.088 4.429 4.340 0.001 0.000 0.198 306 Q C -0.444 175.069 176.000 -0.811 0.000 0.971 306 Q CA 1.064 56.412 55.803 -0.759 0.000 0.833 306 Q CB -0.071 28.031 28.738 -1.060 0.000 0.896 306 Q HN 0.630 nan 8.270 nan 0.000 0.434 307 F N 0.371 120.274 119.950 -0.077 0.000 2.564 307 F HA 0.330 4.858 4.527 0.001 0.000 0.368 307 F C -1.774 173.996 175.800 -0.051 0.000 1.127 307 F CA -2.480 55.493 58.000 -0.044 0.000 1.170 307 F CB 1.477 40.463 39.000 -0.024 0.000 1.397 307 F HN -0.021 nan 8.300 nan 0.000 0.493 308 P HA -0.222 nan 4.420 nan 0.000 0.219 308 P C 0.777 178.099 177.300 0.036 0.000 1.146 308 P CA 1.423 64.535 63.100 0.020 0.000 0.808 308 P CB 0.202 31.901 31.700 -0.002 0.000 0.779 309 Q N -0.115 119.725 119.800 0.066 0.000 2.488 309 Q HA 0.052 4.393 4.340 0.001 0.000 0.211 309 Q C 1.175 177.194 176.000 0.031 0.000 0.967 309 Q CA 0.151 55.980 55.803 0.044 0.000 0.926 309 Q CB -1.237 27.529 28.738 0.046 0.000 0.992 309 Q HN 0.079 nan 8.270 nan 0.000 0.506 310 S N 1.720 117.453 115.700 0.054 0.000 2.558 310 S HA 0.025 4.496 4.470 0.001 0.000 0.293 310 S C -1.450 173.144 174.600 -0.011 0.000 1.292 310 S CA -1.033 57.181 58.200 0.024 0.000 1.063 310 S CB 0.529 63.763 63.200 0.058 0.000 0.831 310 S HN 0.120 nan 8.310 nan 0.000 0.499 311 P HA 0.091 nan 4.420 nan 0.000 0.223 311 P C -0.001 177.266 177.300 -0.055 0.000 1.151 311 P CA 0.419 63.498 63.100 -0.034 0.000 0.787 311 P CB -0.064 31.617 31.700 -0.032 0.000 0.788 312 L N 0.386 121.571 121.223 -0.065 0.000 2.543 312 L HA 0.002 4.343 4.340 0.001 0.000 0.285 312 L C 0.807 177.596 176.870 -0.136 0.000 1.236 312 L CA 0.708 55.486 54.840 -0.104 0.000 0.871 312 L CB -0.162 41.834 42.059 -0.104 0.000 1.121 312 L HN 0.120 nan 8.230 nan 0.000 0.501 313 Q N 2.526 122.201 119.800 -0.208 0.000 2.285 313 Q HA 0.248 4.589 4.340 0.001 0.000 0.269 313 Q C -1.131 174.631 176.000 -0.397 0.000 1.030 313 Q CA -0.463 55.184 55.803 -0.260 0.000 0.788 313 Q CB 2.280 30.870 28.738 -0.247 0.000 1.266 313 Q HN 0.646 nan 8.270 nan 0.000 0.438 314 S N 2.568 118.078 115.700 -0.317 0.000 2.548 314 S HA 0.196 4.667 4.470 0.001 0.000 0.277 314 S C 0.022 174.408 174.600 -0.357 0.000 1.315 314 S CA -0.114 57.901 58.200 -0.310 0.000 1.050 314 S CB 0.286 63.362 63.200 -0.207 0.000 0.918 314 S HN 0.607 nan 8.310 nan 0.000 0.497 315 Y N 2.666 122.858 120.300 -0.179 0.000 2.466 315 Y HA 0.294 4.845 4.550 0.002 0.000 0.272 315 Y C 1.193 176.836 175.900 -0.429 0.000 1.169 315 Y CA -0.386 57.437 58.100 -0.460 0.000 1.285 315 Y CB -0.398 37.445 38.460 -1.029 0.000 1.078 315 Y HN 0.674 nan 8.280 nan 0.000 0.523 316 N N -0.323 118.277 118.700 -0.167 0.000 2.738 316 N HA -0.215 4.526 4.740 0.001 0.000 0.249 316 N C 0.298 175.861 175.510 0.088 0.000 1.047 316 N CA 0.731 53.758 53.050 -0.038 0.000 0.707 316 N CB -1.722 36.751 38.487 -0.024 0.000 0.937 316 N HN 0.249 nan 8.380 nan 0.000 0.545 317 F N 0.289 120.387 119.950 0.247 0.000 2.102 317 F HA -0.099 4.430 4.527 0.002 0.000 0.298 317 F C 2.469 178.522 175.800 0.421 0.000 1.105 317 F CA 1.451 59.634 58.000 0.304 0.000 1.239 317 F CB -0.770 38.385 39.000 0.258 0.000 0.991 317 F HN 0.350 nan 8.300 nan 0.000 0.474 318 A N 0.276 123.408 122.820 0.519 0.000 1.855 318 A HA -0.123 4.198 4.320 0.001 0.000 0.215 318 A C 2.339 180.143 177.584 0.367 0.000 1.191 318 A CA 1.281 53.557 52.037 0.399 0.000 0.613 318 A CB -1.181 17.721 19.000 -0.163 0.000 0.829 318 A HN 0.368 nan 8.150 nan 0.000 0.442 319 L N 0.111 121.445 121.223 0.185 0.000 1.997 319 L HA -0.254 4.087 4.340 0.001 0.000 0.216 319 L C 2.670 179.595 176.870 0.091 0.000 1.074 319 L CA 2.302 57.180 54.840 0.062 0.000 0.763 319 L CB -0.382 41.632 42.059 -0.075 0.000 0.890 319 L HN 0.436 nan 8.230 nan 0.000 0.434 320 S N -1.117 114.669 115.700 0.144 0.000 2.447 320 S HA -0.093 4.378 4.470 0.001 0.000 0.233 320 S C 1.744 176.463 174.600 0.197 0.000 1.006 320 S CA 1.167 59.453 58.200 0.143 0.000 0.957 320 S CB 0.036 63.322 63.200 0.144 0.000 0.773 320 S HN 0.427 nan 8.310 nan 0.000 0.507 321 S N 1.026 116.897 115.700 0.285 0.000 2.548 321 S HA 0.302 4.773 4.470 0.001 0.000 0.215 321 S C 1.510 176.155 174.600 0.074 0.000 0.976 321 S CA -0.238 58.127 58.200 0.275 0.000 0.908 321 S CB -0.194 63.198 63.200 0.319 0.000 0.781 321 S HN 0.376 nan 8.310 nan 0.000 0.519 322 I N 2.103 122.737 120.570 0.108 0.000 2.145 322 I HA -0.342 3.829 4.170 0.001 0.000 0.244 322 I C 2.127 178.170 176.117 -0.123 0.000 1.075 322 I CA 1.499 62.776 61.300 -0.039 0.000 1.332 322 I CB -0.150 37.895 38.000 0.075 0.000 1.033 322 I HN 0.280 nan 8.210 nan 0.000 0.410 323 K N 0.074 120.460 120.400 -0.025 0.000 2.283 323 K HA -0.135 4.185 4.320 0.001 0.000 0.202 323 K C 1.303 177.863 176.600 -0.068 0.000 1.048 323 K CA 1.112 57.378 56.287 -0.035 0.000 0.948 323 K CB -0.027 32.484 32.500 0.018 0.000 0.742 323 K HN 0.426 nan 8.250 nan 0.000 0.458 324 D N -0.251 120.106 120.400 -0.072 0.000 2.324 324 D HA -0.035 4.606 4.640 0.001 0.000 0.212 324 D C 1.874 178.020 176.300 -0.258 0.000 0.984 324 D CA 0.616 54.548 54.000 -0.112 0.000 0.885 324 D CB 0.218 41.005 40.800 -0.022 0.000 0.996 324 D HN -0.066 nan 8.370 nan 0.000 0.505 325 V N 1.030 120.708 119.914 -0.393 0.000 2.379 325 V HA -0.114 4.006 4.120 0.001 0.000 0.243 325 V C 2.653 178.414 176.094 -0.554 0.000 1.035 325 V CA 0.740 62.680 62.300 -0.599 0.000 1.035 325 V CB -0.150 31.087 31.823 -0.977 0.000 0.673 325 V HN -0.002 nan 8.190 nan 0.000 0.457 326 V N 0.601 120.172 119.914 -0.571 0.000 2.343 326 V HA -0.126 3.995 4.120 0.001 0.000 0.247 326 V C 0.024 175.895 176.094 -0.373 0.000 1.051 326 V CA 2.367 64.342 62.300 -0.542 0.000 1.036 326 V CB -1.739 29.787 31.823 -0.495 0.000 0.654 326 V HN 0.504 nan 8.190 nan 0.000 0.451 327 P HA -0.104 nan 4.420 nan 0.000 0.218 327 P C 1.232 178.406 177.300 -0.210 0.000 1.148 327 P CA 1.302 64.280 63.100 -0.204 0.000 0.822 327 P CB -0.107 31.518 31.700 -0.125 0.000 0.784 328 N N -0.850 117.716 118.700 -0.223 0.000 2.142 328 N HA -0.063 4.678 4.740 0.001 0.000 0.186 328 N C 1.773 177.155 175.510 -0.214 0.000 1.023 328 N CA 0.923 53.858 53.050 -0.191 0.000 0.852 328 N CB -0.981 37.397 38.487 -0.181 0.000 0.998 328 N HN 0.169 nan 8.380 nan 0.000 0.424 329 L N 0.675 121.734 121.223 -0.273 0.000 2.012 329 L HA -0.136 4.205 4.340 0.001 0.000 0.210 329 L C 2.189 178.878 176.870 -0.302 0.000 1.073 329 L CA 0.914 55.600 54.840 -0.257 0.000 0.748 329 L CB -0.479 41.403 42.059 -0.293 0.000 0.891 329 L HN 0.128 nan 8.230 nan 0.000 0.431 330 L N -0.372 120.593 121.223 -0.430 0.000 2.042 330 L HA -0.265 4.076 4.340 0.001 0.000 0.210 330 L C 2.278 178.817 176.870 -0.551 0.000 1.076 330 L CA 1.186 55.582 54.840 -0.741 0.000 0.749 330 L CB -0.674 40.673 42.059 -1.186 0.000 0.893 330 L HN 0.352 nan 8.230 nan 0.000 0.432 331 N N -0.060 118.475 118.700 -0.275 0.000 2.289 331 N HA -0.115 4.626 4.740 0.001 0.000 0.184 331 N C 1.816 177.271 175.510 -0.091 0.000 1.016 331 N CA 1.014 54.019 53.050 -0.075 0.000 0.872 331 N CB -0.217 38.245 38.487 -0.042 0.000 0.973 331 N HN 0.327 nan 8.380 nan 0.000 0.433 332 L N 0.194 121.334 121.223 -0.138 0.000 2.376 332 L HA -0.003 4.337 4.340 0.001 0.000 0.219 332 L C 1.786 178.577 176.870 -0.132 0.000 1.133 332 L CA 0.341 55.107 54.840 -0.123 0.000 0.816 332 L CB -0.245 41.741 42.059 -0.122 0.000 0.933 332 L HN 0.138 nan 8.230 nan 0.000 0.449 333 L N -0.321 120.814 121.223 -0.146 0.000 2.275 333 L HA -0.124 4.217 4.340 0.001 0.000 0.215 333 L C 2.223 179.037 176.870 -0.093 0.000 1.119 333 L CA 1.379 56.144 54.840 -0.125 0.000 0.790 333 L CB -0.818 41.171 42.059 -0.116 0.000 0.919 333 L HN 0.405 nan 8.230 nan 0.000 0.443 334 T N -3.582 110.927 114.554 -0.075 0.000 3.272 334 T HA 0.061 4.412 4.350 0.001 0.000 0.250 334 T C 1.184 175.780 174.700 -0.173 0.000 1.082 334 T CA -0.133 61.887 62.100 -0.133 0.000 0.968 334 T CB -0.223 68.585 68.868 -0.101 0.000 1.015 334 T HN 0.276 nan 8.240 nan 0.000 0.563 335 R N 1.127 121.544 120.500 -0.139 0.000 2.831 335 R HA 0.260 4.601 4.340 0.001 0.000 0.337 335 R C -0.221 176.015 176.300 -0.106 0.000 1.200 335 R CA -0.337 55.692 56.100 -0.119 0.000 1.088 335 R CB 0.188 30.428 30.300 -0.099 0.000 1.397 335 R HN 0.462 nan 8.270 nan 0.000 0.581 336 Q N 0.776 120.514 119.800 -0.105 0.000 2.651 336 Q HA 0.055 4.396 4.340 0.001 0.000 0.224 336 Q C -0.024 176.004 176.000 0.047 0.000 1.094 336 Q CA 0.159 55.947 55.803 -0.024 0.000 1.018 336 Q CB 0.400 29.195 28.738 0.095 0.000 1.292 336 Q HN 0.080 nan 8.270 nan 0.000 0.588 337 N N 1.624 120.374 118.700 0.084 0.000 2.499 337 N HA 0.047 4.787 4.740 0.001 0.000 0.281 337 N C -0.622 175.000 175.510 0.186 0.000 1.098 337 N CA -0.245 52.860 53.050 0.093 0.000 0.979 337 N CB 0.742 39.251 38.487 0.036 0.000 1.121 337 N HN 0.426 nan 8.380 nan 0.000 0.466 338 E N 1.836 122.141 120.200 0.176 0.000 1.800 338 E HA -0.030 4.321 4.350 0.001 0.000 0.262 338 E C -0.111 176.509 176.600 0.034 0.000 1.219 338 E CA 0.359 56.887 56.400 0.215 0.000 1.051 338 E CB -0.503 29.303 29.700 0.177 0.000 1.074 338 E HN 0.511 nan 8.360 nan 0.000 0.433 342 D N 1.403 121.810 120.400 0.013 0.000 2.137 342 D HA -0.074 4.567 4.640 0.001 0.000 0.202 342 D C 0.730 177.061 176.300 0.052 0.000 0.970 342 D CA 1.579 55.599 54.000 0.034 0.000 0.837 342 D CB 0.249 41.063 40.800 0.024 0.000 0.981 342 D HN 0.602 nan 8.370 nan 0.000 0.475 343 D N -0.994 119.428 120.400 0.036 0.000 2.673 343 D HA -0.182 4.459 4.640 0.001 0.000 0.186 343 D C -0.796 175.553 176.300 0.082 0.000 1.079 343 D CA 1.348 55.382 54.000 0.057 0.000 1.050 343 D CB -0.810 40.055 40.800 0.109 0.000 1.118 343 D HN 0.313 nan 8.370 nan 0.000 0.426 344 D N -0.343 120.105 120.400 0.081 0.000 2.449 344 D HA -0.045 4.596 4.640 0.001 0.000 0.236 344 D C 1.024 177.405 176.300 0.136 0.000 1.149 344 D CA 0.006 54.076 54.000 0.116 0.000 0.878 344 D CB 0.150 41.002 40.800 0.087 0.000 1.198 344 D HN 0.258 nan 8.370 nan 0.000 0.446 345 W N 2.647 123.939 121.300 -0.012 0.000 2.161 345 W HA -0.163 4.498 4.660 0.001 0.000 0.306 345 W C 1.169 177.675 176.519 -0.022 0.000 1.069 345 W CA 1.186 58.517 57.345 -0.022 0.000 1.145 345 W CB -0.239 29.209 29.460 -0.020 0.000 1.197 345 W HN 0.572 nan 8.180 nan 0.000 0.463 346 N N -1.066 117.727 118.700 0.154 0.000 3.733 346 N HA -0.309 4.432 4.740 0.001 0.000 0.228 346 N C 0.297 175.686 175.510 -0.202 0.000 0.875 346 N CA 1.255 54.315 53.050 0.017 0.000 0.959 346 N CB -0.992 37.492 38.487 -0.005 0.000 0.790 346 N HN 0.171 nan 8.380 nan 0.000 0.647 347 V N 0.834 120.671 119.914 -0.127 0.000 2.591 347 V HA -0.123 3.998 4.120 0.001 0.000 0.249 347 V C 2.536 178.511 176.094 -0.199 0.000 1.053 347 V CA 2.814 65.045 62.300 -0.115 0.000 1.068 347 V CB -0.548 31.233 31.823 -0.069 0.000 0.689 347 V HN 0.716 nan 8.190 nan 0.000 0.462 348 S N -0.417 115.134 115.700 -0.248 0.000 2.387 348 S HA -0.193 4.278 4.470 0.001 0.000 0.226 348 S C 1.998 176.375 174.600 -0.372 0.000 1.026 348 S CA 1.773 59.821 58.200 -0.254 0.000 0.972 348 S CB -0.466 62.610 63.200 -0.207 0.000 0.814 348 S HN 0.580 nan 8.310 nan 0.000 0.477 349 M N 1.556 120.775 119.600 -0.634 0.000 2.132 349 M HA -0.037 4.443 4.480 0.001 0.000 0.263 349 M C 2.553 178.419 176.300 -0.724 0.000 1.065 349 M CA 1.593 56.271 55.300 -1.036 0.000 1.122 349 M CB -0.661 30.683 32.600 -2.093 0.000 1.365 349 M HN 0.369 nan 8.290 nan 0.000 0.411 350 S N 0.777 116.219 115.700 -0.429 0.000 2.382 350 S HA -0.074 4.397 4.470 0.001 0.000 0.228 350 S C 2.101 176.735 174.600 0.056 0.000 1.027 350 S CA 1.260 59.544 58.200 0.139 0.000 0.991 350 S CB -0.399 62.961 63.200 0.268 0.000 0.823 350 S HN 0.551 nan 8.310 nan 0.000 0.469 351 A N 1.634 124.420 122.820 -0.057 0.000 1.930 351 A HA 0.100 4.421 4.320 0.001 0.000 0.217 351 A C 2.328 179.885 177.584 -0.045 0.000 1.175 351 A CA 1.643 53.651 52.037 -0.050 0.000 0.627 351 A CB -1.405 17.529 19.000 -0.111 0.000 0.815 351 A HN 0.509 nan 8.150 nan 0.000 0.443 352 G N -0.359 108.383 108.800 -0.097 0.000 2.446 352 G HA2 -0.028 3.933 3.960 0.001 0.000 0.217 352 G HA3 -0.028 3.933 3.960 0.001 0.000 0.217 352 G C 1.766 176.687 174.900 0.034 0.000 1.168 352 G CA 1.524 46.581 45.100 -0.072 0.000 0.771 352 G HN 0.805 nan 8.290 nan 0.000 0.551 353 A N -0.305 122.561 122.820 0.076 0.000 1.933 353 A HA -0.100 4.221 4.320 0.001 0.000 0.218 353 A C 2.578 180.261 177.584 0.165 0.000 1.175 353 A CA 1.831 53.966 52.037 0.163 0.000 0.628 353 A CB -1.165 17.996 19.000 0.269 0.000 0.814 353 A HN 0.504 nan 8.150 nan 0.000 0.444 354 C N -1.051 118.350 119.300 0.167 0.000 2.429 354 C HA -0.045 4.416 4.460 0.001 0.000 0.277 354 C C 2.491 177.657 174.990 0.294 0.000 1.262 354 C CA 1.216 60.374 59.018 0.233 0.000 1.733 354 C CB -1.402 26.483 27.740 0.242 0.000 2.010 354 C HN 0.611 nan 8.230 nan 0.000 0.483 355 L N 1.312 122.640 121.223 0.174 0.000 2.042 355 L HA -0.205 4.136 4.340 0.001 0.000 0.210 355 L C 2.579 179.561 176.870 0.186 0.000 1.076 355 L CA 2.089 57.011 54.840 0.137 0.000 0.749 355 L CB -0.913 41.150 42.059 0.007 0.000 0.893 355 L HN 0.472 nan 8.230 nan 0.000 0.432 356 Q N -0.836 119.065 119.800 0.168 0.000 2.084 356 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 356 Q C 2.311 178.399 176.000 0.147 0.000 0.978 356 Q CA 1.807 57.706 55.803 0.160 0.000 0.844 356 Q CB -0.350 28.494 28.738 0.176 0.000 0.898 356 Q HN 0.532 nan 8.270 nan 0.000 0.426 357 L N -0.477 120.835 121.223 0.148 0.000 2.042 357 L HA -0.193 4.148 4.340 0.001 0.000 0.210 357 L C 2.218 179.125 176.870 0.062 0.000 1.076 357 L CA 1.110 56.001 54.840 0.084 0.000 0.749 357 L CB -0.413 41.679 42.059 0.054 0.000 0.893 357 L HN 0.169 nan 8.230 nan 0.000 0.432 358 F N 0.014 120.002 119.950 0.062 0.000 2.134 358 F HA -0.251 4.277 4.527 0.001 0.000 0.299 358 F C 2.554 178.381 175.800 0.045 0.000 1.097 358 F CA 1.485 59.518 58.000 0.054 0.000 1.264 358 F CB -0.441 38.575 39.000 0.026 0.000 1.001 358 F HN 0.020 nan 8.300 nan 0.000 0.479 359 A N -0.701 122.249 122.820 0.217 0.000 1.897 359 A HA -0.191 4.130 4.320 0.001 0.000 0.215 359 A C 2.083 179.723 177.584 0.094 0.000 1.181 359 A CA 1.407 53.523 52.037 0.133 0.000 0.620 359 A CB -0.684 18.369 19.000 0.089 0.000 0.821 359 A HN 0.443 nan 8.150 nan 0.000 0.443 360 Q N -0.794 119.053 119.800 0.078 0.000 2.084 360 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 360 Q C 2.028 178.049 176.000 0.036 0.000 0.978 360 Q CA 1.541 57.375 55.803 0.051 0.000 0.844 360 Q CB -0.201 28.562 28.738 0.042 0.000 0.898 360 Q HN 0.701 nan 8.270 nan 0.000 0.426 361 N N -0.417 118.296 118.700 0.022 0.000 2.333 361 N HA -0.061 4.680 4.740 0.001 0.000 0.178 361 N C 0.906 176.429 175.510 0.021 0.000 1.018 361 N CA 0.941 53.985 53.050 -0.009 0.000 0.882 361 N CB 0.098 38.537 38.487 -0.081 0.000 0.984 361 N HN 0.163 nan 8.380 nan 0.000 0.434 362 C N -0.876 118.467 119.300 0.072 0.000 3.228 362 C HA 0.583 5.044 4.460 0.001 0.000 0.290 362 C C 1.529 176.619 174.990 0.167 0.000 1.301 362 C CA -0.176 58.909 59.018 0.112 0.000 1.703 362 C CB -0.841 27.007 27.740 0.180 0.000 2.141 362 C HN 0.595 nan 8.230 nan 0.000 0.656 363 G N 2.534 111.409 108.800 0.125 0.000 2.651 363 G HA2 -0.397 3.564 3.960 0.001 0.000 0.315 363 G HA3 -0.397 3.564 3.960 0.001 0.000 0.315 363 G C 0.808 175.777 174.900 0.115 0.000 1.258 363 G CA 1.053 46.219 45.100 0.109 0.000 1.002 363 G HN 0.358 nan 8.290 nan 0.000 0.551 364 N N 0.479 119.237 118.700 0.097 0.000 2.364 364 N HA -0.042 4.699 4.740 0.001 0.000 0.183 364 N C 1.731 177.239 175.510 -0.004 0.000 1.022 364 N CA 1.626 54.691 53.050 0.025 0.000 0.883 364 N CB -0.502 37.966 38.487 -0.030 0.000 0.965 364 N HN 0.700 nan 8.380 nan 0.000 0.438 365 H N -0.431 118.665 119.070 0.044 0.000 2.521 365 H HA 0.035 4.592 4.556 0.001 0.000 0.286 365 H C 1.650 176.997 175.328 0.032 0.000 1.034 365 H CA 0.476 56.550 56.048 0.045 0.000 1.278 365 H CB 0.054 29.857 29.762 0.068 0.000 1.386 365 H HN 0.101 nan 8.280 nan 0.000 0.567 366 I N 0.008 120.660 120.570 0.136 0.000 2.761 366 I HA -0.124 4.047 4.170 0.001 0.000 0.261 366 I C 1.511 177.619 176.117 -0.015 0.000 1.198 366 I CA 0.801 62.137 61.300 0.059 0.000 1.482 366 I CB -0.185 37.859 38.000 0.073 0.000 1.100 366 I HN 0.202 nan 8.210 nan 0.000 0.445 367 L N -0.113 121.092 121.223 -0.030 0.000 1.994 367 L HA -0.200 4.141 4.340 0.001 0.000 0.208 367 L C 2.573 179.373 176.870 -0.116 0.000 1.071 367 L CA 1.608 56.388 54.840 -0.101 0.000 0.745 367 L CB -0.922 41.075 42.059 -0.104 0.000 0.892 367 L HN 0.252 nan 8.230 nan 0.000 0.431 368 E N 0.492 120.647 120.200 -0.074 0.000 2.031 368 E HA -0.186 4.165 4.350 0.001 0.000 0.193 368 E C -0.428 176.145 176.600 -0.044 0.000 0.994 368 E CA 1.725 58.088 56.400 -0.061 0.000 0.800 368 E CB -1.156 28.526 29.700 -0.029 0.000 0.752 368 E HN 0.312 nan 8.360 nan 0.000 0.447 369 P HA -0.080 nan 4.420 nan 0.000 0.218 369 P C 1.798 179.089 177.300 -0.016 0.000 1.149 369 P CA 0.910 63.989 63.100 -0.035 0.000 0.817 369 P CB -0.031 31.623 31.700 -0.076 0.000 0.785 370 V N 0.248 120.137 119.914 -0.042 0.000 2.323 370 V HA -0.175 3.945 4.120 0.001 0.000 0.244 370 V C 2.792 178.928 176.094 0.070 0.000 1.041 370 V CA 1.307 63.605 62.300 -0.003 0.000 1.025 370 V CB -1.245 30.547 31.823 -0.052 0.000 0.656 370 V HN -0.013 nan 8.190 nan 0.000 0.451 371 L N -0.115 121.093 121.223 -0.024 0.000 2.042 371 L HA -0.236 4.105 4.340 0.001 0.000 0.210 371 L C 2.626 179.519 176.870 0.039 0.000 1.076 371 L CA 1.901 56.724 54.840 -0.028 0.000 0.749 371 L CB -0.585 41.336 42.059 -0.231 0.000 0.893 371 L HN 0.418 nan 8.230 nan 0.000 0.432 372 E N -0.119 120.105 120.200 0.039 0.000 2.077 372 E HA -0.269 4.082 4.350 0.001 0.000 0.193 372 E C 2.136 178.785 176.600 0.080 0.000 0.989 372 E CA 1.420 57.850 56.400 0.050 0.000 0.800 372 E CB -0.091 29.635 29.700 0.044 0.000 0.746 372 E HN 0.397 nan 8.360 nan 0.000 0.452 373 F N 0.665 120.599 119.950 -0.028 0.000 2.134 373 F HA -0.207 4.321 4.527 0.001 0.000 0.299 373 F C 2.053 177.849 175.800 -0.006 0.000 1.097 373 F CA 1.082 59.067 58.000 -0.025 0.000 1.264 373 F CB -0.185 38.794 39.000 -0.036 0.000 1.001 373 F HN -0.147 nan 8.300 nan 0.000 0.479 374 V N 0.721 120.739 119.914 0.174 0.000 2.261 374 V HA -0.325 3.796 4.120 0.001 0.000 0.246 374 V C 2.422 178.497 176.094 -0.031 0.000 1.047 374 V CA 2.301 64.662 62.300 0.102 0.000 1.015 374 V CB -0.843 31.122 31.823 0.236 0.000 0.642 374 V HN 0.475 nan 8.190 nan 0.000 0.446 375 E N 0.016 120.213 120.200 -0.006 0.000 2.097 375 E HA -0.359 3.992 4.350 0.001 0.000 0.196 375 E C 2.215 178.765 176.600 -0.082 0.000 1.000 375 E CA 1.912 58.296 56.400 -0.028 0.000 0.804 375 E CB -0.149 29.555 29.700 0.006 0.000 0.740 375 E HN 0.565 nan 8.360 nan 0.000 0.454 376 Q N 0.429 120.153 119.800 -0.128 0.000 2.224 376 Q HA -0.070 4.271 4.340 0.001 0.000 0.203 376 Q C 1.128 176.984 176.000 -0.240 0.000 0.970 376 Q CA 1.647 57.345 55.803 -0.175 0.000 0.865 376 Q CB 0.130 28.744 28.738 -0.206 0.000 0.922 376 Q HN 0.310 nan 8.270 nan 0.000 0.445 377 N N -1.129 117.383 118.700 -0.314 0.000 2.257 377 N HA 0.095 4.836 4.740 0.001 0.000 0.200 377 N C 1.174 176.567 175.510 -0.194 0.000 1.163 377 N CA 0.153 52.999 53.050 -0.339 0.000 0.891 377 N CB 0.452 38.549 38.487 -0.650 0.000 1.067 377 N HN 0.257 nan 8.380 nan 0.000 0.497 378 I N 1.644 122.131 120.570 -0.138 0.000 2.676 378 I HA -0.132 4.039 4.170 0.001 0.000 0.259 378 I C 1.419 177.493 176.117 -0.071 0.000 1.194 378 I CA 1.230 62.479 61.300 -0.085 0.000 1.473 378 I CB 0.191 38.146 38.000 -0.074 0.000 1.096 378 I HN 0.040 nan 8.210 nan 0.000 0.443 379 T N -1.627 112.880 114.554 -0.077 0.000 3.134 379 T HA 0.497 4.848 4.350 0.001 0.000 0.260 379 T C 0.723 175.386 174.700 -0.062 0.000 1.027 379 T CA 0.012 62.077 62.100 -0.059 0.000 0.913 379 T CB -0.190 68.647 68.868 -0.053 0.000 1.046 379 T HN 0.217 nan 8.240 nan 0.000 0.553 380 A N 1.549 124.319 122.820 -0.083 0.000 2.492 380 A HA 0.266 4.587 4.320 0.001 0.000 0.236 380 A C 1.265 178.816 177.584 -0.055 0.000 1.078 380 A CA -0.176 51.810 52.037 -0.085 0.000 0.773 380 A CB 0.074 19.000 19.000 -0.124 0.000 1.023 380 A HN 0.293 nan 8.150 nan 0.000 0.504 381 D N 0.059 120.429 120.400 -0.050 0.000 2.178 381 D HA -0.075 4.566 4.640 0.001 0.000 0.202 381 D C 0.679 176.971 176.300 -0.014 0.000 0.974 381 D CA 1.097 55.081 54.000 -0.026 0.000 0.841 381 D CB -0.198 40.586 40.800 -0.026 0.000 0.953 381 D HN 0.708 nan 8.370 nan 0.000 0.478 382 N N 0.997 119.664 118.700 -0.055 0.000 2.488 382 N HA -0.017 4.723 4.740 0.001 0.000 0.274 382 N C 1.587 177.043 175.510 -0.090 0.000 1.111 382 N CA -0.598 52.395 53.050 -0.094 0.000 0.974 382 N CB 0.860 39.238 38.487 -0.182 0.000 1.089 382 N HN 0.130 nan 8.380 nan 0.000 0.465 383 W N 4.865 126.138 121.300 -0.046 0.000 2.392 383 W HA -0.120 4.541 4.660 0.001 0.000 0.279 383 W C 0.753 177.245 176.519 -0.045 0.000 1.225 383 W CA 0.331 57.648 57.345 -0.048 0.000 1.233 383 W CB -0.391 29.039 29.460 -0.051 0.000 1.122 383 W HN 0.580 nan 8.180 nan 0.000 0.561 384 R N 0.816 120.718 120.500 -0.997 0.000 2.092 384 R HA -0.095 4.246 4.340 0.001 0.000 0.231 384 R C 2.117 178.194 176.300 -0.372 0.000 1.119 384 R CA 1.622 57.123 56.100 -0.998 0.000 0.970 384 R CB -0.455 29.227 30.300 -1.030 0.000 0.864 384 R HN 0.273 nan 8.270 nan 0.000 0.440 385 N N 0.600 119.133 118.700 -0.278 0.000 2.171 385 N HA -0.099 4.642 4.740 0.001 0.000 0.184 385 N C 1.727 177.168 175.510 -0.116 0.000 1.021 385 N CA 0.921 53.862 53.050 -0.182 0.000 0.854 385 N CB -0.025 38.340 38.487 -0.204 0.000 0.994 385 N HN 0.259 nan 8.380 nan 0.000 0.426 386 R N 1.082 121.544 120.500 -0.063 0.000 2.075 386 R HA -0.039 4.302 4.340 0.001 0.000 0.232 386 R C 2.065 178.396 176.300 0.052 0.000 1.126 386 R CA 0.674 56.771 56.100 -0.005 0.000 0.963 386 R CB -0.180 30.137 30.300 0.028 0.000 0.858 386 R HN 0.243 nan 8.270 nan 0.000 0.435 387 E N 1.346 121.604 120.200 0.096 0.000 2.077 387 E HA -0.159 4.192 4.350 0.001 0.000 0.193 387 E C 1.876 178.539 176.600 0.106 0.000 0.989 387 E CA 1.456 57.934 56.400 0.131 0.000 0.800 387 E CB -0.024 29.816 29.700 0.232 0.000 0.746 387 E HN 0.281 nan 8.360 nan 0.000 0.452 388 A N 1.314 124.187 122.820 0.087 0.000 1.908 388 A HA -0.129 4.192 4.320 0.001 0.000 0.218 388 A C 2.458 180.237 177.584 0.325 0.000 1.181 388 A CA 2.327 54.473 52.037 0.183 0.000 0.627 388 A CB -0.746 18.414 19.000 0.266 0.000 0.818 388 A HN 0.372 nan 8.150 nan 0.000 0.445 389 A N -0.055 122.906 122.820 0.234 0.000 1.877 389 A HA -0.047 4.274 4.320 0.001 0.000 0.216 389 A C 2.327 180.064 177.584 0.255 0.000 1.186 389 A CA 2.469 54.641 52.037 0.226 0.000 0.620 389 A CB -1.309 17.708 19.000 0.028 0.000 0.822 389 A HN 1.094 nan 8.150 nan 0.000 0.443 390 V N -2.876 117.158 119.914 0.200 0.000 2.427 390 V HA -0.227 3.894 4.120 0.001 0.000 0.248 390 V C 2.378 178.700 176.094 0.380 0.000 1.051 390 V CA 2.202 64.655 62.300 0.254 0.000 1.048 390 V CB -1.062 30.875 31.823 0.192 0.000 0.666 390 V HN 0.433 nan 8.190 nan 0.000 0.456 391 M N 2.260 122.036 119.600 0.293 0.000 2.080 391 M HA -0.001 4.480 4.480 0.001 0.000 0.260 391 M C 2.173 178.665 176.300 0.320 0.000 1.068 391 M CA 2.321 57.779 55.300 0.264 0.000 1.109 391 M CB -1.072 31.550 32.600 0.037 0.000 1.342 391 M HN 0.392 nan 8.290 nan 0.000 0.405 392 A N -0.832 122.137 122.820 0.248 0.000 1.877 392 A HA -0.169 4.152 4.320 0.001 0.000 0.216 392 A C 2.185 179.901 177.584 0.219 0.000 1.186 392 A CA 1.799 53.945 52.037 0.181 0.000 0.620 392 A CB -1.386 17.715 19.000 0.169 0.000 0.822 392 A HN 0.614 nan 8.150 nan 0.000 0.443 393 F N 1.014 121.060 119.950 0.160 0.000 2.102 393 F HA -0.052 4.476 4.527 0.002 0.000 0.298 393 F C 2.377 178.239 175.800 0.102 0.000 1.105 393 F CA 1.720 59.786 58.000 0.111 0.000 1.239 393 F CB -0.600 38.454 39.000 0.090 0.000 0.991 393 F HN 0.220 nan 8.300 nan 0.000 0.474 394 G N -1.273 107.737 108.800 0.349 0.000 2.422 394 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 394 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 394 G C 1.741 176.667 174.900 0.043 0.000 1.140 394 G CA 0.898 46.033 45.100 0.059 0.000 0.775 394 G HN 0.401 nan 8.290 nan 0.000 0.545 395 S N 0.468 116.346 115.700 0.297 0.000 2.474 395 S HA -0.066 4.405 4.470 0.001 0.000 0.235 395 S C 1.951 176.600 174.600 0.082 0.000 0.997 395 S CA 1.029 59.383 58.200 0.257 0.000 0.949 395 S CB -0.211 63.132 63.200 0.238 0.000 0.766 395 S HN 0.688 nan 8.310 nan 0.000 0.517 396 I N -2.984 117.563 120.570 -0.039 0.000 3.904 396 I HA 0.271 4.442 4.170 0.001 0.000 0.333 396 I C 1.216 177.251 176.117 -0.136 0.000 1.361 396 I CA 0.037 61.278 61.300 -0.098 0.000 1.116 396 I CB -0.084 37.824 38.000 -0.154 0.000 1.028 396 I HN 0.063 nan 8.210 nan 0.000 0.398 397 M N 0.940 120.465 119.600 -0.125 0.000 2.595 397 M HA 0.157 4.638 4.480 0.001 0.000 0.248 397 M C -0.084 176.187 176.300 -0.048 0.000 1.119 397 M CA 0.737 55.968 55.300 -0.116 0.000 1.079 397 M CB -0.987 31.541 32.600 -0.120 0.000 1.472 397 M HN 0.345 nan 8.290 nan 0.000 0.501 398 D N -0.453 119.939 120.400 -0.015 0.000 2.549 398 D HA 0.509 5.150 4.640 0.001 0.000 0.251 398 D C 0.592 176.907 176.300 0.025 0.000 1.153 398 D CA 0.682 54.689 54.000 0.011 0.000 0.861 398 D CB 1.168 41.987 40.800 0.032 0.000 1.207 398 D HN 0.305 nan 8.370 nan 0.000 0.543 399 G N 4.186 113.001 108.800 0.025 0.000 3.435 399 G HA2 -0.138 3.823 3.960 0.001 0.000 0.197 399 G HA3 -0.138 3.823 3.960 0.001 0.000 0.197 399 G C -2.164 172.759 174.900 0.039 0.000 1.497 399 G CA -0.383 44.740 45.100 0.038 0.000 1.043 399 G HN 0.554 nan 8.290 nan 0.000 0.466 400 P HA 0.350 nan 4.420 nan 0.000 0.271 400 P C -0.352 176.970 177.300 0.037 0.000 1.233 400 P CA 0.451 63.574 63.100 0.038 0.000 0.789 400 P CB 0.385 32.103 31.700 0.030 0.000 0.951 401 D N -0.126 120.299 120.400 0.041 0.000 2.371 401 D HA 0.013 4.654 4.640 0.001 0.000 0.242 401 D C 1.086 177.410 176.300 0.040 0.000 1.218 401 D CA -0.227 53.794 54.000 0.035 0.000 0.945 401 D CB 0.499 41.317 40.800 0.029 0.000 1.137 401 D HN 0.255 nan 8.370 nan 0.000 0.464 402 K N 0.220 120.639 120.400 0.032 0.000 2.057 402 K HA -0.131 4.190 4.320 0.001 0.000 0.207 402 K C 1.812 178.439 176.600 0.046 0.000 1.049 402 K CA 1.025 57.333 56.287 0.034 0.000 0.931 402 K CB -0.204 32.310 32.500 0.023 0.000 0.714 402 K HN 0.352 nan 8.250 nan 0.000 0.440 403 V N 1.686 121.623 119.914 0.038 0.000 2.255 403 V HA -0.292 3.829 4.120 0.001 0.000 0.247 403 V C 2.547 178.680 176.094 0.066 0.000 1.051 403 V CA 1.796 64.117 62.300 0.036 0.000 1.018 403 V CB -0.458 31.369 31.823 0.007 0.000 0.641 403 V HN 0.452 nan 8.190 nan 0.000 0.445 404 Q N -0.310 119.541 119.800 0.086 0.000 2.046 404 Q HA -0.168 4.173 4.340 0.001 0.000 0.200 404 Q C 2.408 178.562 176.000 0.256 0.000 0.975 404 Q CA 1.562 57.471 55.803 0.176 0.000 0.836 404 Q CB -0.411 28.443 28.738 0.193 0.000 0.896 404 Q HN 0.596 nan 8.270 nan 0.000 0.428 405 R N -0.059 120.543 120.500 0.169 0.000 2.083 405 R HA -0.089 4.252 4.340 0.001 0.000 0.237 405 R C 2.425 178.822 176.300 0.162 0.000 1.137 405 R CA 1.758 57.948 56.100 0.149 0.000 0.951 405 R CB -0.422 29.918 30.300 0.065 0.000 0.851 405 R HN 0.240 nan 8.270 nan 0.000 0.434 406 T N 0.229 114.854 114.554 0.119 0.000 2.788 406 T HA -0.208 4.143 4.350 0.001 0.000 0.268 406 T C 1.431 176.190 174.700 0.099 0.000 1.044 406 T CA 1.422 63.583 62.100 0.101 0.000 1.139 406 T CB -0.385 68.525 68.868 0.070 0.000 0.867 406 T HN 0.318 nan 8.240 nan 0.000 0.454 407 Y N 0.606 120.878 120.300 -0.046 0.000 2.114 407 Y HA -0.179 4.372 4.550 0.002 0.000 0.284 407 Y C 1.986 177.781 175.900 -0.176 0.000 1.143 407 Y CA 1.206 59.194 58.100 -0.186 0.000 1.135 407 Y CB -0.384 37.844 38.460 -0.386 0.000 0.980 407 Y HN 0.211 nan 8.280 nan 0.000 0.499 408 Y N -1.407 119.012 120.300 0.199 0.000 2.395 408 Y HA -0.107 4.444 4.550 0.002 0.000 0.293 408 Y C 2.446 178.489 175.900 0.239 0.000 1.123 408 Y CA 1.049 59.266 58.100 0.196 0.000 1.227 408 Y CB -0.702 37.939 38.460 0.301 0.000 1.012 408 Y HN -0.028 nan 8.280 nan 0.000 0.552 409 V N -0.332 119.796 119.914 0.357 0.000 2.307 409 V HA -0.316 3.805 4.120 0.001 0.000 0.245 409 V C 2.485 178.600 176.094 0.035 0.000 1.045 409 V CA 2.295 64.751 62.300 0.261 0.000 1.024 409 V CB -0.688 31.257 31.823 0.203 0.000 0.651 409 V HN 0.517 nan 8.190 nan 0.000 0.449 410 H N 0.162 119.190 119.070 -0.068 0.000 2.352 410 H HA -0.238 4.319 4.556 0.002 0.000 0.299 410 H C 2.383 177.612 175.328 -0.165 0.000 1.097 410 H CA 2.448 58.431 56.048 -0.107 0.000 1.311 410 H CB 0.076 29.769 29.762 -0.115 0.000 1.377 410 H HN 0.567 nan 8.280 nan 0.000 0.504 411 Q N -0.003 119.721 119.800 -0.127 0.000 2.079 411 Q HA -0.067 4.273 4.340 0.001 0.000 0.200 411 Q C 2.146 178.059 176.000 -0.146 0.000 0.974 411 Q CA 1.432 57.152 55.803 -0.139 0.000 0.840 411 Q CB -0.045 28.613 28.738 -0.133 0.000 0.898 411 Q HN 0.483 nan 8.270 nan 0.000 0.430 412 A N 0.012 122.737 122.820 -0.158 0.000 2.147 412 A HA 0.020 4.341 4.320 0.001 0.000 0.211 412 A C 1.794 179.156 177.584 -0.370 0.000 1.160 412 A CA 0.087 51.949 52.037 -0.293 0.000 0.781 412 A CB -0.215 18.454 19.000 -0.551 0.000 0.842 412 A HN 0.428 nan 8.150 nan 0.000 0.475 413 L N 0.818 121.808 121.223 -0.389 0.000 2.013 413 L HA -0.073 4.268 4.340 0.001 0.000 0.212 413 L C -0.765 175.868 176.870 -0.395 0.000 1.073 413 L CA 2.368 56.939 54.840 -0.448 0.000 0.753 413 L CB -1.395 40.270 42.059 -0.656 0.000 0.890 413 L HN 0.149 nan 8.230 nan 0.000 0.432 414 P HA -0.176 nan 4.420 nan 0.000 0.215 414 P C 2.036 179.239 177.300 -0.161 0.000 1.157 414 P CA 2.219 65.196 63.100 -0.205 0.000 0.874 414 P CB -0.243 31.383 31.700 -0.123 0.000 0.790 415 S N -1.128 114.470 115.700 -0.170 0.000 2.382 415 S HA -0.146 4.325 4.470 0.001 0.000 0.228 415 S C 1.984 176.495 174.600 -0.148 0.000 1.027 415 S CA 1.151 59.266 58.200 -0.141 0.000 0.991 415 S CB -1.634 61.484 63.200 -0.138 0.000 0.823 415 S HN 0.044 nan 8.310 nan 0.000 0.469 416 I N 1.303 121.751 120.570 -0.204 0.000 2.252 416 I HA -0.088 4.083 4.170 0.001 0.000 0.245 416 I C 2.427 178.472 176.117 -0.120 0.000 1.102 416 I CA 1.041 62.235 61.300 -0.177 0.000 1.385 416 I CB -0.346 37.506 38.000 -0.247 0.000 1.064 416 I HN 0.269 nan 8.210 nan 0.000 0.414 417 L N 0.478 121.620 121.223 -0.136 0.000 2.131 417 L HA -0.231 4.109 4.340 0.001 0.000 0.210 417 L C 2.277 179.107 176.870 -0.068 0.000 1.092 417 L CA 1.459 56.241 54.840 -0.096 0.000 0.759 417 L CB -0.768 41.229 42.059 -0.103 0.000 0.903 417 L HN 0.358 nan 8.230 nan 0.000 0.435 418 N N 0.621 119.278 118.700 -0.072 0.000 2.166 418 N HA -0.179 4.561 4.740 0.001 0.000 0.186 418 N C 1.781 177.267 175.510 -0.041 0.000 1.019 418 N CA 1.111 54.130 53.050 -0.051 0.000 0.856 418 N CB -0.146 38.309 38.487 -0.053 0.000 0.993 418 N HN 0.236 nan 8.380 nan 0.000 0.426 419 L N -0.197 121.000 121.223 -0.044 0.000 2.456 419 L HA -0.043 4.298 4.340 0.001 0.000 0.224 419 L C 1.721 178.582 176.870 -0.015 0.000 1.148 419 L CA 0.301 55.126 54.840 -0.024 0.000 0.825 419 L CB -0.325 41.723 42.059 -0.018 0.000 0.937 419 L HN 0.327 nan 8.230 nan 0.000 0.450 420 M N -0.600 118.988 119.600 -0.020 0.000 2.460 420 M HA -0.095 4.386 4.480 0.001 0.000 0.263 420 M C 0.998 177.290 176.300 -0.015 0.000 1.071 420 M CA 1.169 56.462 55.300 -0.013 0.000 1.096 420 M CB -0.802 31.788 32.600 -0.016 0.000 1.408 420 M HN 0.274 nan 8.290 nan 0.000 0.463 421 N N 0.624 119.313 118.700 -0.018 0.000 2.251 421 N HA 0.044 4.784 4.740 0.001 0.000 0.217 421 N C -0.299 175.200 175.510 -0.019 0.000 1.124 421 N CA 0.027 53.066 53.050 -0.018 0.000 0.843 421 N CB 0.068 38.545 38.487 -0.018 0.000 1.024 421 N HN 0.357 nan 8.380 nan 0.000 0.501 422 D N 1.008 121.398 120.400 -0.018 0.000 2.399 422 D HA -0.041 4.600 4.640 0.001 0.000 0.241 422 D C 1.635 177.918 176.300 -0.028 0.000 1.133 422 D CA -0.008 53.982 54.000 -0.016 0.000 0.890 422 D CB 1.007 41.803 40.800 -0.005 0.000 1.201 422 D HN 0.199 nan 8.370 nan 0.000 0.432 423 Q N 1.144 120.928 119.800 -0.026 0.000 2.291 423 Q HA -0.106 4.235 4.340 0.001 0.000 0.205 423 Q C 0.443 176.393 176.000 -0.082 0.000 0.970 423 Q CA 0.495 56.272 55.803 -0.043 0.000 0.876 423 Q CB 0.012 28.733 28.738 -0.029 0.000 0.935 423 Q HN 0.216 nan 8.270 nan 0.000 0.455 424 S N 0.371 116.023 115.700 -0.080 0.000 2.465 424 S HA 0.154 4.625 4.470 0.001 0.000 0.279 424 S C 0.755 175.236 174.600 -0.199 0.000 1.201 424 S CA -0.768 57.328 58.200 -0.174 0.000 1.053 424 S CB 0.985 64.122 63.200 -0.104 0.000 0.953 424 S HN 0.417 nan 8.310 nan 0.000 0.488 425 L N 6.026 127.076 121.223 -0.289 0.000 2.013 425 L HA -0.133 4.208 4.340 0.001 0.000 0.212 425 L C 2.243 178.939 176.870 -0.289 0.000 1.073 425 L CA 2.140 56.790 54.840 -0.316 0.000 0.753 425 L CB -1.037 40.749 42.059 -0.455 0.000 0.890 425 L HN 0.817 nan 8.230 nan 0.000 0.432 426 Q N -1.206 118.384 119.800 -0.349 0.000 2.084 426 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 426 Q C 2.191 178.154 176.000 -0.062 0.000 0.978 426 Q CA 2.008 57.670 55.803 -0.234 0.000 0.844 426 Q CB -0.527 28.026 28.738 -0.307 0.000 0.898 426 Q HN 0.454 nan 8.270 nan 0.000 0.426 427 V N 0.961 120.867 119.914 -0.014 0.000 2.295 427 V HA -0.288 3.833 4.120 0.001 0.000 0.246 427 V C 1.956 178.063 176.094 0.022 0.000 1.049 427 V CA 1.930 64.263 62.300 0.055 0.000 1.024 427 V CB -0.433 31.436 31.823 0.077 0.000 0.648 427 V HN 0.334 nan 8.190 nan 0.000 0.447 428 K N -0.186 120.201 120.400 -0.022 0.000 2.097 428 K HA -0.220 4.101 4.320 0.001 0.000 0.205 428 K C 2.216 178.823 176.600 0.012 0.000 1.050 428 K CA 1.601 57.883 56.287 -0.008 0.000 0.938 428 K CB -0.170 32.311 32.500 -0.032 0.000 0.718 428 K HN 0.592 nan 8.250 nan 0.000 0.442 429 E N 0.550 120.734 120.200 -0.026 0.000 2.077 429 E HA -0.167 4.184 4.350 0.001 0.000 0.193 429 E C 1.452 178.092 176.600 0.066 0.000 0.989 429 E CA 1.562 57.956 56.400 -0.009 0.000 0.800 429 E CB 0.126 29.769 29.700 -0.096 0.000 0.746 429 E HN 0.148 nan 8.360 nan 0.000 0.452 430 T N -0.116 114.475 114.554 0.062 0.000 2.942 430 T HA -0.065 4.286 4.350 0.001 0.000 0.265 430 T C 1.810 176.685 174.700 0.291 0.000 1.062 430 T CA 1.362 63.550 62.100 0.147 0.000 1.139 430 T CB -0.275 68.638 68.868 0.074 0.000 0.883 430 T HN 0.213 nan 8.240 nan 0.000 0.468 431 T N 2.197 116.858 114.554 0.179 0.000 2.708 431 T HA -0.066 4.284 4.350 0.001 0.000 0.266 431 T C 2.417 177.217 174.700 0.166 0.000 1.037 431 T CA 1.217 63.409 62.100 0.152 0.000 1.146 431 T CB -0.560 68.350 68.868 0.071 0.000 0.865 431 T HN 0.426 nan 8.240 nan 0.000 0.435 432 A N 0.682 123.600 122.820 0.163 0.000 1.883 432 A HA -0.161 4.160 4.320 0.001 0.000 0.217 432 A C 2.058 179.819 177.584 0.294 0.000 1.186 432 A CA 1.895 54.037 52.037 0.175 0.000 0.624 432 A CB -1.290 17.803 19.000 0.155 0.000 0.822 432 A HN 0.734 nan 8.150 nan 0.000 0.444 433 W N -0.047 121.351 121.300 0.162 0.000 2.335 433 W HA -0.266 4.395 4.660 0.002 0.000 0.311 433 W C 2.515 179.238 176.519 0.340 0.000 1.213 433 W CA 1.837 59.331 57.345 0.248 0.000 1.274 433 W CB -0.863 28.611 29.460 0.024 0.000 1.148 433 W HN 0.400 nan 8.180 nan 0.000 0.498 434 C N 0.734 120.213 119.300 0.298 0.000 2.401 434 C HA -0.245 4.216 4.460 0.001 0.000 0.276 434 C C 2.721 177.688 174.990 -0.038 0.000 1.233 434 C CA 1.837 60.872 59.018 0.028 0.000 1.753 434 C CB -1.524 26.358 27.740 0.236 0.000 2.029 434 C HN 0.465 nan 8.230 nan 0.000 0.478 435 I N 0.882 121.465 120.570 0.021 0.000 2.286 435 I HA -0.075 4.096 4.170 0.001 0.000 0.248 435 I C 2.738 178.792 176.117 -0.104 0.000 1.115 435 I CA 1.665 62.944 61.300 -0.035 0.000 1.392 435 I CB -0.924 37.060 38.000 -0.026 0.000 1.065 435 I HN 0.529 nan 8.210 nan 0.000 0.418 436 G N 0.800 109.557 108.800 -0.073 0.000 2.418 436 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 436 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 436 G C 1.794 176.400 174.900 -0.491 0.000 1.158 436 G CA 0.290 45.166 45.100 -0.373 0.000 0.771 436 G HN 0.171 nan 8.290 nan 0.000 0.545 437 R N 0.224 120.538 120.500 -0.311 0.000 2.081 437 R HA 0.033 4.374 4.340 0.001 0.000 0.235 437 R C 2.587 178.767 176.300 -0.199 0.000 1.131 437 R CA 0.825 56.745 56.100 -0.300 0.000 0.960 437 R CB -0.804 29.178 30.300 -0.531 0.000 0.856 437 R HN 0.448 nan 8.270 nan 0.000 0.436 438 I N 0.660 121.147 120.570 -0.138 0.000 2.226 438 I HA -0.243 3.928 4.170 0.001 0.000 0.245 438 I C 2.557 178.609 176.117 -0.109 0.000 1.100 438 I CA 1.307 62.570 61.300 -0.061 0.000 1.374 438 I CB -0.456 37.549 38.000 0.009 0.000 1.057 438 I HN 0.096 nan 8.210 nan 0.000 0.413 439 A N 0.198 122.913 122.820 -0.175 0.000 1.902 439 A HA -0.281 4.040 4.320 0.001 0.000 0.217 439 A C 2.024 179.478 177.584 -0.216 0.000 1.181 439 A CA 2.258 54.172 52.037 -0.204 0.000 0.623 439 A CB -0.600 18.237 19.000 -0.273 0.000 0.818 439 A HN 0.384 nan 8.150 nan 0.000 0.443 440 D N -0.996 119.245 120.400 -0.266 0.000 2.183 440 D HA -0.012 4.629 4.640 0.001 0.000 0.203 440 D C 1.929 178.153 176.300 -0.127 0.000 0.969 440 D CA 1.535 55.397 54.000 -0.231 0.000 0.842 440 D CB 0.129 40.770 40.800 -0.264 0.000 0.957 440 D HN 0.350 nan 8.370 nan 0.000 0.484 441 S N -1.342 114.297 115.700 -0.101 0.000 2.514 441 S HA 0.098 4.569 4.470 0.001 0.000 0.223 441 S C 0.774 175.349 174.600 -0.041 0.000 1.046 441 S CA 0.088 58.254 58.200 -0.057 0.000 0.914 441 S CB 1.489 64.664 63.200 -0.042 0.000 0.807 441 S HN 0.188 nan 8.310 nan 0.000 0.497 442 V N -0.050 119.836 119.914 -0.046 0.000 2.719 442 V HA 0.627 4.748 4.120 0.001 0.000 0.330 442 V C 0.939 177.016 176.094 -0.029 0.000 1.224 442 V CA -0.365 61.922 62.300 -0.021 0.000 1.314 442 V CB -0.299 31.529 31.823 0.009 0.000 1.416 442 V HN 0.221 nan 8.190 nan 0.000 0.651 443 A N 0.573 123.360 122.820 -0.055 0.000 1.978 443 A HA -0.130 4.191 4.320 0.001 0.000 0.220 443 A C 1.905 179.467 177.584 -0.037 0.000 1.170 443 A CA 2.104 54.101 52.037 -0.068 0.000 0.636 443 A CB -0.204 18.736 19.000 -0.099 0.000 0.810 443 A HN 0.647 nan 8.150 nan 0.000 0.448 444 E N 0.511 120.700 120.200 -0.020 0.000 2.338 444 E HA -0.099 4.252 4.350 0.001 0.000 0.197 444 E C 2.031 178.643 176.600 0.021 0.000 1.007 444 E CA 1.072 57.473 56.400 0.002 0.000 0.849 444 E CB -0.321 29.381 29.700 0.004 0.000 0.774 444 E HN 0.784 nan 8.360 nan 0.000 0.506 445 S N 0.119 115.833 115.700 0.024 0.000 2.555 445 S HA -0.005 4.466 4.470 0.001 0.000 0.230 445 S C 0.816 175.457 174.600 0.068 0.000 0.978 445 S CA 0.059 58.290 58.200 0.052 0.000 0.934 445 S CB -0.358 62.877 63.200 0.059 0.000 0.766 445 S HN 0.142 nan 8.310 nan 0.000 0.533 446 I N 3.076 123.670 120.570 0.039 0.000 2.282 446 I HA 0.196 4.367 4.170 0.001 0.000 0.290 446 I C 0.145 176.304 176.117 0.070 0.000 1.090 446 I CA -0.499 60.830 61.300 0.049 0.000 1.231 446 I CB 0.418 38.411 38.000 -0.011 0.000 1.434 446 I HN 0.162 nan 8.210 nan 0.000 0.487 447 D N 8.782 129.255 120.400 0.122 0.000 2.451 447 D HA -0.001 4.640 4.640 0.001 0.000 0.254 447 D C -1.521 174.814 176.300 0.057 0.000 1.204 447 D CA -1.124 52.926 54.000 0.083 0.000 0.896 447 D CB 1.547 42.397 40.800 0.084 0.000 1.136 447 D HN 0.233 nan 8.370 nan 0.000 0.499 448 P HA -0.175 nan 4.420 nan 0.000 0.217 448 P C 0.896 178.256 177.300 0.099 0.000 1.151 448 P CA 1.389 64.544 63.100 0.090 0.000 0.849 448 P CB 0.377 32.127 31.700 0.084 0.000 0.787 449 Q N -1.458 118.371 119.800 0.048 0.000 2.134 449 Q HA -0.055 4.286 4.340 0.001 0.000 0.195 449 Q C 2.351 178.338 176.000 -0.022 0.000 0.958 449 Q CA 1.203 57.022 55.803 0.027 0.000 0.840 449 Q CB -0.671 28.070 28.738 0.005 0.000 0.918 449 Q HN 0.254 nan 8.270 nan 0.000 0.467 450 Q N -0.871 118.873 119.800 -0.093 0.000 2.049 450 Q HA -0.127 4.214 4.340 0.001 0.000 0.198 450 Q C 0.965 176.755 176.000 -0.350 0.000 0.971 450 Q CA 1.602 57.235 55.803 -0.283 0.000 0.833 450 Q CB 0.093 28.577 28.738 -0.424 0.000 0.896 450 Q HN 0.560 nan 8.270 nan 0.000 0.434 451 H N -1.590 117.466 119.070 -0.023 0.000 3.017 451 H HA 0.091 4.648 4.556 0.001 0.000 0.255 451 H C 1.433 176.708 175.328 -0.088 0.000 0.990 451 H CA 0.077 56.087 56.048 -0.063 0.000 1.205 451 H CB 0.632 30.343 29.762 -0.085 0.000 1.460 451 H HN 0.154 nan 8.280 nan 0.000 0.478 452 L N 2.120 123.356 121.223 0.022 0.000 2.046 452 L HA -0.026 4.315 4.340 0.001 0.000 0.208 452 L C -1.037 175.656 176.870 -0.295 0.000 1.077 452 L CA 1.711 56.474 54.840 -0.129 0.000 0.747 452 L CB -0.695 41.314 42.059 -0.085 0.000 0.896 452 L HN 0.088 nan 8.230 nan 0.000 0.432 453 P HA -0.099 nan 4.420 nan 0.000 0.216 453 P C 1.620 178.868 177.300 -0.086 0.000 1.150 453 P CA 1.759 64.832 63.100 -0.046 0.000 0.837 453 P CB -0.365 31.440 31.700 0.175 0.000 0.786 454 G N -0.390 108.386 108.800 -0.040 0.000 2.402 454 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 454 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 454 G C 1.646 176.499 174.900 -0.079 0.000 1.162 454 G CA 0.580 45.662 45.100 -0.030 0.000 0.777 454 G HN 0.143 nan 8.290 nan 0.000 0.539 455 V N 0.493 120.338 119.914 -0.115 0.000 2.295 455 V HA -0.179 3.942 4.120 0.001 0.000 0.246 455 V C 3.037 179.019 176.094 -0.186 0.000 1.049 455 V CA 1.568 63.780 62.300 -0.147 0.000 1.024 455 V CB -0.408 31.317 31.823 -0.162 0.000 0.648 455 V HN 0.244 nan 8.190 nan 0.000 0.447 456 V N -0.676 119.061 119.914 -0.295 0.000 2.343 456 V HA -0.305 3.816 4.120 0.001 0.000 0.247 456 V C 2.479 178.482 176.094 -0.151 0.000 1.051 456 V CA 2.154 64.274 62.300 -0.299 0.000 1.036 456 V CB -0.652 30.824 31.823 -0.579 0.000 0.654 456 V HN 0.502 nan 8.190 nan 0.000 0.451 457 Q N 0.181 119.915 119.800 -0.110 0.000 2.135 457 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 457 Q C 2.181 178.153 176.000 -0.047 0.000 0.981 457 Q CA 2.076 57.850 55.803 -0.048 0.000 0.856 457 Q CB -0.662 28.063 28.738 -0.022 0.000 0.902 457 Q HN 0.638 nan 8.270 nan 0.000 0.425 458 A N -1.042 121.743 122.820 -0.058 0.000 1.930 458 A HA -0.181 4.139 4.320 0.001 0.000 0.217 458 A C 2.388 179.949 177.584 -0.039 0.000 1.175 458 A CA 1.436 53.447 52.037 -0.045 0.000 0.627 458 A CB -0.968 18.002 19.000 -0.050 0.000 0.815 458 A HN 0.557 nan 8.150 nan 0.000 0.443 459 C N -0.801 118.465 119.300 -0.057 0.000 2.440 459 C HA -0.012 4.448 4.460 0.001 0.000 0.278 459 C C 2.626 177.593 174.990 -0.038 0.000 1.295 459 C CA 0.912 59.901 59.018 -0.047 0.000 1.738 459 C CB -1.420 26.274 27.740 -0.076 0.000 1.987 459 C HN 0.620 nan 8.230 nan 0.000 0.492 460 L N 0.233 121.429 121.223 -0.045 0.000 2.072 460 L HA -0.097 4.243 4.340 0.001 0.000 0.205 460 L C 2.528 179.383 176.870 -0.025 0.000 1.079 460 L CA 1.069 55.887 54.840 -0.036 0.000 0.752 460 L CB -0.555 41.486 42.059 -0.030 0.000 0.906 460 L HN 0.237 nan 8.230 nan 0.000 0.436 461 I N 0.423 120.981 120.570 -0.020 0.000 2.226 461 I HA -0.173 3.998 4.170 0.001 0.000 0.245 461 I C 2.667 178.780 176.117 -0.006 0.000 1.100 461 I CA 1.693 62.986 61.300 -0.012 0.000 1.374 461 I CB -1.955 36.038 38.000 -0.012 0.000 1.057 461 I HN 0.209 nan 8.210 nan 0.000 0.413 462 G N 0.699 109.497 108.800 -0.004 0.000 2.422 462 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 462 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 462 G C 1.828 176.737 174.900 0.016 0.000 1.146 462 G CA 0.244 45.351 45.100 0.011 0.000 0.769 462 G HN 0.337 nan 8.290 nan 0.000 0.547 463 L N -0.206 121.018 121.223 0.002 0.000 2.187 463 L HA -0.118 4.223 4.340 0.001 0.000 0.213 463 L C 2.795 179.662 176.870 -0.005 0.000 1.100 463 L CA 1.048 55.886 54.840 -0.003 0.000 0.765 463 L CB -0.179 41.863 42.059 -0.028 0.000 0.904 463 L HN 0.336 nan 8.230 nan 0.000 0.437 464 Q N -1.317 118.480 119.800 -0.005 0.000 2.319 464 Q HA 0.021 4.361 4.340 0.001 0.000 0.202 464 Q C 0.359 176.364 176.000 0.007 0.000 0.896 464 Q CA -0.212 55.589 55.803 -0.004 0.000 0.942 464 Q CB 0.450 29.183 28.738 -0.009 0.000 1.083 464 Q HN 0.363 nan 8.270 nan 0.000 0.510 465 D N -0.206 120.206 120.400 0.020 0.000 2.453 465 D HA -0.021 4.620 4.640 0.001 0.000 0.282 465 D C -0.181 176.158 176.300 0.065 0.000 1.222 465 D CA -0.384 53.642 54.000 0.042 0.000 1.079 465 D CB 0.488 41.315 40.800 0.045 0.000 1.128 465 D HN 0.063 nan 8.370 nan 0.000 0.568 466 H N 0.440 119.501 119.070 -0.015 0.000 3.038 466 H HA -0.018 4.539 4.556 0.001 0.000 0.338 466 H C -1.552 173.778 175.328 0.004 0.000 1.041 466 H CA -0.641 55.399 56.048 -0.014 0.000 1.394 466 H CB 1.216 30.942 29.762 -0.059 0.000 1.357 466 H HN 0.138 nan 8.280 nan 0.000 0.600 467 P HA -0.190 nan 4.420 nan 0.000 0.217 467 P C 1.155 178.554 177.300 0.165 0.000 1.151 467 P CA 1.724 64.836 63.100 0.021 0.000 0.849 467 P CB 0.251 31.983 31.700 0.053 0.000 0.787 468 K N -0.514 120.045 120.400 0.266 0.000 2.057 468 K HA -0.079 4.242 4.320 0.001 0.000 0.207 468 K C 2.080 178.719 176.600 0.066 0.000 1.049 468 K CA 1.238 57.564 56.287 0.065 0.000 0.931 468 K CB -0.597 31.787 32.500 -0.194 0.000 0.714 468 K HN -0.004 nan 8.250 nan 0.000 0.440 469 V N 1.117 121.087 119.914 0.094 0.000 2.270 469 V HA -0.243 3.877 4.120 0.001 0.000 0.245 469 V C 2.321 178.467 176.094 0.086 0.000 1.043 469 V CA 2.033 64.375 62.300 0.069 0.000 1.014 469 V CB -0.744 31.112 31.823 0.054 0.000 0.645 469 V HN 0.356 nan 8.190 nan 0.000 0.447 470 A N -0.211 122.661 122.820 0.087 0.000 1.940 470 A HA -0.255 4.066 4.320 0.001 0.000 0.219 470 A C 2.387 180.026 177.584 0.093 0.000 1.176 470 A CA 2.637 54.717 52.037 0.072 0.000 0.631 470 A CB -1.013 18.020 19.000 0.054 0.000 0.814 470 A HN 0.516 nan 8.150 nan 0.000 0.446 471 T N 0.544 115.167 114.554 0.115 0.000 2.777 471 T HA -0.117 4.234 4.350 0.001 0.000 0.266 471 T C 1.818 176.619 174.700 0.169 0.000 1.040 471 T CA 1.497 63.678 62.100 0.136 0.000 1.141 471 T CB -0.388 68.564 68.868 0.140 0.000 0.868 471 T HN 0.508 nan 8.240 nan 0.000 0.444 472 N N 0.637 119.436 118.700 0.165 0.000 2.244 472 N HA -0.040 4.701 4.740 0.001 0.000 0.183 472 N C 1.951 177.632 175.510 0.285 0.000 1.016 472 N CA 0.620 53.820 53.050 0.250 0.000 0.866 472 N CB -0.708 37.913 38.487 0.225 0.000 0.980 472 N HN 0.398 nan 8.380 nan 0.000 0.430 473 C N -0.076 119.326 119.300 0.171 0.000 2.440 473 C HA 0.042 4.503 4.460 0.001 0.000 0.278 473 C C 2.878 177.922 174.990 0.091 0.000 1.295 473 C CA 0.429 59.512 59.018 0.108 0.000 1.738 473 C CB -0.992 26.780 27.740 0.053 0.000 1.987 473 C HN 0.404 nan 8.230 nan 0.000 0.492 474 S N -0.419 115.347 115.700 0.110 0.000 2.359 474 S HA -0.252 4.218 4.470 0.001 0.000 0.224 474 S C 1.435 176.117 174.600 0.137 0.000 1.035 474 S CA 1.756 60.012 58.200 0.093 0.000 1.018 474 S CB -0.502 62.759 63.200 0.102 0.000 0.876 474 S HN 0.839 nan 8.310 nan 0.000 0.448 475 W N 2.291 123.610 121.300 0.031 0.000 2.342 475 W HA -0.164 4.497 4.660 0.002 0.000 0.297 475 W C 2.183 178.701 176.519 -0.002 0.000 1.213 475 W CA 1.767 59.133 57.345 0.035 0.000 1.251 475 W CB -0.901 28.606 29.460 0.079 0.000 1.136 475 W HN 0.138 nan 8.180 nan 0.000 0.526 476 T N 1.253 115.836 114.554 0.047 0.000 2.777 476 T HA -0.190 4.161 4.350 0.001 0.000 0.266 476 T C 1.822 176.380 174.700 -0.237 0.000 1.040 476 T CA 1.963 63.943 62.100 -0.201 0.000 1.141 476 T CB -0.365 68.493 68.868 -0.016 0.000 0.868 476 T HN 0.156 nan 8.240 nan 0.000 0.444 477 I N 0.598 121.085 120.570 -0.139 0.000 2.226 477 I HA -0.150 4.020 4.170 0.001 0.000 0.245 477 I C 2.213 178.213 176.117 -0.194 0.000 1.100 477 I CA 1.255 62.460 61.300 -0.158 0.000 1.374 477 I CB -0.383 37.547 38.000 -0.116 0.000 1.057 477 I HN 0.220 nan 8.210 nan 0.000 0.413 478 I N 0.946 121.413 120.570 -0.171 0.000 2.151 478 I HA -0.359 3.811 4.170 0.001 0.000 0.243 478 I C 2.234 178.182 176.117 -0.283 0.000 1.080 478 I CA 1.524 62.718 61.300 -0.177 0.000 1.339 478 I CB -0.559 37.383 38.000 -0.097 0.000 1.039 478 I HN 0.332 nan 8.210 nan 0.000 0.409 479 N N 0.783 119.237 118.700 -0.412 0.000 2.120 479 N HA -0.141 4.600 4.740 0.001 0.000 0.188 479 N C 1.932 177.239 175.510 -0.338 0.000 1.024 479 N CA 1.251 54.036 53.050 -0.441 0.000 0.852 479 N CB -0.511 37.586 38.487 -0.650 0.000 1.003 479 N HN 0.318 nan 8.380 nan 0.000 0.424 480 L N 0.294 121.332 121.223 -0.308 0.000 2.012 480 L HA -0.150 4.191 4.340 0.001 0.000 0.210 480 L C 2.201 178.914 176.870 -0.262 0.000 1.073 480 L CA 0.940 55.628 54.840 -0.253 0.000 0.748 480 L CB -0.425 41.498 42.059 -0.227 0.000 0.891 480 L HN -0.004 nan 8.230 nan 0.000 0.431 481 V N -0.387 119.354 119.914 -0.288 0.000 2.307 481 V HA -0.270 3.851 4.120 0.001 0.000 0.245 481 V C 2.344 178.102 176.094 -0.559 0.000 1.045 481 V CA 1.776 63.870 62.300 -0.344 0.000 1.024 481 V CB -0.490 31.169 31.823 -0.272 0.000 0.651 481 V HN 0.443 nan 8.190 nan 0.000 0.449 482 E N -0.354 119.491 120.200 -0.592 0.000 2.097 482 E HA -0.260 4.091 4.350 0.001 0.000 0.196 482 E C 2.343 178.746 176.600 -0.328 0.000 1.000 482 E CA 1.356 57.390 56.400 -0.610 0.000 0.804 482 E CB -0.100 29.420 29.700 -0.301 0.000 0.740 482 E HN 0.545 nan 8.360 nan 0.000 0.454 483 Q N -0.386 119.264 119.800 -0.250 0.000 2.302 483 Q HA 0.044 4.385 4.340 0.001 0.000 0.202 483 Q C 2.111 178.035 176.000 -0.127 0.000 0.936 483 Q CA 0.625 56.336 55.803 -0.155 0.000 0.886 483 Q CB 0.357 29.006 28.738 -0.150 0.000 0.986 483 Q HN 0.344 nan 8.270 nan 0.000 0.487 484 L N -0.408 120.715 121.223 -0.166 0.000 2.513 484 L HA 0.193 4.534 4.340 0.001 0.000 0.222 484 L C 2.102 178.902 176.870 -0.116 0.000 1.096 484 L CA 0.356 55.120 54.840 -0.126 0.000 0.857 484 L CB -0.232 41.746 42.059 -0.134 0.000 1.026 484 L HN 0.003 nan 8.230 nan 0.000 0.469 485 A N 0.431 123.161 122.820 -0.150 0.000 1.969 485 A HA -0.180 4.141 4.320 0.001 0.000 0.218 485 A C 2.046 179.716 177.584 0.143 0.000 1.169 485 A CA 1.486 53.504 52.037 -0.032 0.000 0.635 485 A CB -0.175 18.862 19.000 0.061 0.000 0.810 485 A HN 0.322 nan 8.150 nan 0.000 0.445 486 E N 0.530 120.791 120.200 0.101 0.000 2.152 486 E HA 0.237 4.588 4.350 0.001 0.000 0.192 486 E C 1.199 177.851 176.600 0.086 0.000 0.983 486 E CA 0.578 57.046 56.400 0.113 0.000 0.818 486 E CB -0.542 29.212 29.700 0.091 0.000 0.758 486 E HN 0.592 nan 8.360 nan 0.000 0.467 487 A N 0.698 123.555 122.820 0.060 0.000 2.586 487 A HA 0.163 4.484 4.320 0.001 0.000 0.231 487 A C 0.155 177.783 177.584 0.073 0.000 1.055 487 A CA 0.586 52.654 52.037 0.052 0.000 0.756 487 A CB 0.172 19.193 19.000 0.034 0.000 0.988 487 A HN 0.066 nan 8.150 nan 0.000 0.509 488 T N 4.292 118.879 114.554 0.056 0.000 2.890 488 T HA 0.563 4.914 4.350 0.001 0.000 0.295 488 T C -2.142 172.583 174.700 0.041 0.000 0.993 488 T CA -0.546 61.586 62.100 0.055 0.000 0.979 488 T CB 1.188 70.081 68.868 0.043 0.000 0.967 488 T HN 0.797 nan 8.240 nan 0.000 0.441 489 P HA 0.413 nan 4.420 nan 0.000 0.274 489 P C -0.546 176.808 177.300 0.091 0.000 1.246 489 P CA -0.552 62.589 63.100 0.067 0.000 0.795 489 P CB 0.741 32.473 31.700 0.053 0.000 1.006 490 S N 1.116 116.909 115.700 0.156 0.000 2.475 490 S HA 0.281 4.752 4.470 0.001 0.000 0.281 490 S C -1.312 173.348 174.600 0.099 0.000 1.198 490 S CA -1.376 56.894 58.200 0.118 0.000 1.063 490 S CB 0.429 63.700 63.200 0.118 0.000 0.972 490 S HN 0.304 nan 8.310 nan 0.000 0.486 491 P HA 0.017 nan 4.420 nan 0.000 0.233 491 P C 1.250 178.642 177.300 0.154 0.000 1.167 491 P CA 0.262 63.423 63.100 0.102 0.000 0.770 491 P CB 0.069 31.838 31.700 0.114 0.000 0.837 492 I N -1.191 119.391 120.570 0.020 0.000 2.546 492 I HA -0.166 4.004 4.170 0.001 0.000 0.255 492 I C 1.881 178.069 176.117 0.119 0.000 1.163 492 I CA 1.067 62.398 61.300 0.050 0.000 1.457 492 I CB -0.621 37.285 38.000 -0.157 0.000 1.092 492 I HN -0.223 nan 8.210 nan 0.000 0.434 493 Y N 0.614 121.007 120.300 0.156 0.000 2.352 493 Y HA -0.126 4.425 4.550 0.001 0.000 0.292 493 Y C 2.273 178.195 175.900 0.036 0.000 1.136 493 Y CA 0.885 59.009 58.100 0.040 0.000 1.227 493 Y CB -1.112 37.260 38.460 -0.147 0.000 0.991 493 Y HN 0.253 nan 8.280 nan 0.000 0.545 494 N N -0.398 118.337 118.700 0.058 0.000 2.348 494 N HA -0.162 4.579 4.740 0.001 0.000 0.185 494 N C 0.823 176.131 175.510 -0.337 0.000 1.019 494 N CA 1.274 54.193 53.050 -0.218 0.000 0.880 494 N CB -0.434 37.774 38.487 -0.464 0.000 0.965 494 N HN 0.350 nan 8.380 nan 0.000 0.437 495 F N -1.508 118.514 119.950 0.121 0.000 2.678 495 F HA 0.225 4.752 4.527 0.001 0.000 0.305 495 F C 1.592 177.458 175.800 0.109 0.000 1.090 495 F CA -0.695 57.352 58.000 0.079 0.000 1.272 495 F CB -0.183 38.830 39.000 0.022 0.000 1.060 495 F HN -0.126 nan 8.300 nan 0.000 0.576 496 Y N 1.720 122.110 120.300 0.150 0.000 2.128 496 Y HA -0.156 4.394 4.550 0.002 0.000 0.284 496 Y C -0.436 175.515 175.900 0.085 0.000 1.154 496 Y CA 1.827 60.004 58.100 0.128 0.000 1.149 496 Y CB -1.778 36.794 38.460 0.187 0.000 0.976 496 Y HN -0.025 nan 8.280 nan 0.000 0.505 497 P HA -0.211 nan 4.420 nan 0.000 0.215 497 P C 1.383 178.713 177.300 0.049 0.000 1.157 497 P CA 2.530 65.691 63.100 0.101 0.000 0.868 497 P CB -0.224 31.523 31.700 0.078 0.000 0.788 498 A N -0.782 122.080 122.820 0.069 0.000 1.898 498 A HA -0.141 4.179 4.320 0.001 0.000 0.216 498 A C 2.243 179.829 177.584 0.004 0.000 1.181 498 A CA 1.345 53.411 52.037 0.048 0.000 0.620 498 A CB -1.655 17.406 19.000 0.102 0.000 0.819 498 A HN 0.085 nan 8.150 nan 0.000 0.442 499 L N -0.586 120.635 121.223 -0.004 0.000 2.012 499 L HA -0.188 4.152 4.340 0.001 0.000 0.210 499 L C 2.550 179.338 176.870 -0.138 0.000 1.073 499 L CA 1.276 56.062 54.840 -0.090 0.000 0.748 499 L CB -0.677 41.291 42.059 -0.152 0.000 0.891 499 L HN 0.244 nan 8.230 nan 0.000 0.431 500 V N 0.064 119.890 119.914 -0.148 0.000 2.295 500 V HA -0.339 3.782 4.120 0.001 0.000 0.246 500 V C 2.210 178.210 176.094 -0.156 0.000 1.049 500 V CA 2.221 64.429 62.300 -0.154 0.000 1.024 500 V CB -0.500 31.265 31.823 -0.098 0.000 0.648 500 V HN 0.514 nan 8.190 nan 0.000 0.447 501 D N 0.240 120.575 120.400 -0.109 0.000 2.104 501 D HA -0.143 4.498 4.640 0.001 0.000 0.194 501 D C 2.171 178.387 176.300 -0.139 0.000 0.994 501 D CA 1.666 55.597 54.000 -0.115 0.000 0.830 501 D CB -0.464 40.299 40.800 -0.061 0.000 0.959 501 D HN 0.357 nan 8.370 nan 0.000 0.452 502 G N 0.083 108.816 108.800 -0.111 0.000 2.418 502 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 502 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 502 G C 1.732 176.542 174.900 -0.149 0.000 1.158 502 G CA 0.704 45.740 45.100 -0.108 0.000 0.771 502 G HN 0.346 nan 8.290 nan 0.000 0.545 503 L N 0.020 121.135 121.223 -0.180 0.000 2.109 503 L HA 0.074 4.415 4.340 0.001 0.000 0.207 503 L C 2.813 179.469 176.870 -0.357 0.000 1.086 503 L CA 0.360 55.067 54.840 -0.221 0.000 0.760 503 L CB -0.288 41.651 42.059 -0.201 0.000 0.910 503 L HN 0.184 nan 8.230 nan 0.000 0.437 504 I N -0.056 120.244 120.570 -0.450 0.000 2.163 504 I HA -0.245 3.926 4.170 0.001 0.000 0.243 504 I C 2.643 178.436 176.117 -0.539 0.000 1.085 504 I CA 1.509 62.336 61.300 -0.790 0.000 1.347 504 I CB -0.863 36.644 38.000 -0.822 0.000 1.044 504 I HN 0.295 nan 8.210 nan 0.000 0.408 505 G N 0.558 109.176 108.800 -0.303 0.000 2.476 505 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 505 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 505 G C 1.825 176.644 174.900 -0.134 0.000 1.164 505 G CA 0.973 45.971 45.100 -0.169 0.000 0.768 505 G HN 0.515 nan 8.290 nan 0.000 0.560 506 A N 0.902 123.633 122.820 -0.148 0.000 1.969 506 A HA 0.342 4.663 4.320 0.001 0.000 0.218 506 A C 2.744 180.260 177.584 -0.112 0.000 1.169 506 A CA 2.082 54.060 52.037 -0.098 0.000 0.635 506 A CB -0.605 18.347 19.000 -0.080 0.000 0.810 506 A HN 0.851 nan 8.150 nan 0.000 0.445 507 A N -0.393 122.270 122.820 -0.261 0.000 2.066 507 A HA -0.080 4.241 4.320 0.001 0.000 0.218 507 A C 1.659 179.263 177.584 0.033 0.000 1.157 507 A CA 1.330 53.138 52.037 -0.383 0.000 0.670 507 A CB -0.389 18.038 19.000 -0.955 0.000 0.804 507 A HN 0.458 nan 8.150 nan 0.000 0.453 508 N N 0.066 118.793 118.700 0.045 0.000 2.383 508 N HA 0.048 4.789 4.740 0.001 0.000 0.192 508 N C 0.135 175.706 175.510 0.102 0.000 1.141 508 N CA 0.037 53.181 53.050 0.156 0.000 0.851 508 N CB -0.136 38.422 38.487 0.118 0.000 0.976 508 N HN 0.452 nan 8.380 nan 0.000 0.465 509 R N 0.306 120.850 120.500 0.074 0.000 2.697 509 R HA 0.015 4.356 4.340 0.001 0.000 0.265 509 R C 1.480 177.828 176.300 0.079 0.000 1.009 509 R CA 0.093 56.230 56.100 0.061 0.000 1.099 509 R CB 0.724 31.055 30.300 0.053 0.000 0.965 509 R HN 0.117 nan 8.270 nan 0.000 0.428 510 I N 1.103 121.704 120.570 0.052 0.000 2.546 510 I HA -0.211 3.959 4.170 0.001 0.000 0.255 510 I C 0.481 176.622 176.117 0.040 0.000 1.163 510 I CA 1.177 62.504 61.300 0.045 0.000 1.457 510 I CB -0.181 37.835 38.000 0.027 0.000 1.092 510 I HN 0.720 nan 8.210 nan 0.000 0.434 511 D N -2.388 118.032 120.400 0.034 0.000 2.566 511 D HA 0.135 4.776 4.640 0.001 0.000 0.254 511 D C -0.124 176.197 176.300 0.035 0.000 1.090 511 D CA -0.735 53.278 54.000 0.021 0.000 1.034 511 D CB 0.500 41.297 40.800 -0.006 0.000 1.434 511 D HN -0.249 nan 8.370 nan 0.000 0.509 512 N N -0.347 118.365 118.700 0.019 0.000 2.380 512 N HA 0.071 4.812 4.740 0.001 0.000 0.255 512 N C -0.862 174.639 175.510 -0.015 0.000 1.158 512 N CA -0.332 52.736 53.050 0.031 0.000 0.878 512 N CB 0.060 38.571 38.487 0.041 0.000 1.138 512 N HN 0.269 nan 8.380 nan 0.000 0.509 513 E N 0.403 120.574 120.200 -0.048 0.000 2.465 513 E HA -0.087 4.264 4.350 0.001 0.000 0.260 513 E C 0.210 176.790 176.600 -0.033 0.000 0.980 513 E CA 0.278 56.584 56.400 -0.156 0.000 0.927 513 E CB 0.034 29.663 29.700 -0.118 0.000 0.934 513 E HN 0.300 nan 8.360 nan 0.000 0.459 514 F N 1.484 121.444 119.950 0.017 0.000 3.100 514 F HA -0.354 4.174 4.527 0.001 0.000 0.284 514 F C 1.174 176.999 175.800 0.041 0.000 0.875 514 F CA 1.058 59.079 58.000 0.034 0.000 1.039 514 F CB -2.064 36.969 39.000 0.055 0.000 1.111 514 F HN 0.784 nan 8.300 nan 0.000 0.575 515 N N -2.223 116.547 118.700 0.117 0.000 2.753 515 N HA -0.302 4.438 4.740 0.001 0.000 0.251 515 N C 1.252 176.842 175.510 0.133 0.000 1.097 515 N CA 0.469 53.587 53.050 0.112 0.000 0.786 515 N CB -0.813 37.740 38.487 0.110 0.000 1.137 515 N HN 0.638 nan 8.380 nan 0.000 0.566 516 A N 0.427 123.328 122.820 0.135 0.000 1.969 516 A HA -0.119 4.202 4.320 0.001 0.000 0.218 516 A C 2.039 179.689 177.584 0.110 0.000 1.169 516 A CA 1.673 53.781 52.037 0.119 0.000 0.635 516 A CB -0.318 18.744 19.000 0.103 0.000 0.810 516 A HN 0.510 nan 8.150 nan 0.000 0.445 517 R N -0.492 120.086 120.500 0.129 0.000 2.062 517 R HA 0.007 4.348 4.340 0.001 0.000 0.229 517 R C 2.293 178.781 176.300 0.314 0.000 1.128 517 R CA 1.275 57.485 56.100 0.184 0.000 0.960 517 R CB -0.360 30.068 30.300 0.213 0.000 0.855 517 R HN 0.401 nan 8.270 nan 0.000 0.432 518 A N 0.049 123.030 122.820 0.269 0.000 1.933 518 A HA -0.103 4.218 4.320 0.001 0.000 0.218 518 A C 2.160 179.895 177.584 0.252 0.000 1.175 518 A CA 1.780 53.983 52.037 0.277 0.000 0.628 518 A CB -0.486 18.607 19.000 0.156 0.000 0.814 518 A HN 0.403 nan 8.150 nan 0.000 0.444 519 S N -0.200 115.612 115.700 0.186 0.000 2.368 519 S HA -0.044 4.426 4.470 0.001 0.000 0.225 519 S C 2.283 176.966 174.600 0.139 0.000 1.030 519 S CA 1.183 59.481 58.200 0.163 0.000 0.999 519 S CB -0.400 62.889 63.200 0.149 0.000 0.844 519 S HN 0.789 nan 8.310 nan 0.000 0.459 520 A N 0.632 123.509 122.820 0.094 0.000 1.930 520 A HA 0.021 4.342 4.320 0.001 0.000 0.217 520 A C 1.814 179.380 177.584 -0.029 0.000 1.175 520 A CA 1.112 53.139 52.037 -0.016 0.000 0.627 520 A CB -0.813 18.114 19.000 -0.122 0.000 0.815 520 A HN 0.447 nan 8.150 nan 0.000 0.443 521 F N 1.159 121.166 119.950 0.095 0.000 2.134 521 F HA -0.172 4.356 4.527 0.001 0.000 0.299 521 F C 2.827 178.687 175.800 0.100 0.000 1.097 521 F CA 1.763 59.832 58.000 0.115 0.000 1.264 521 F CB -0.480 38.592 39.000 0.120 0.000 1.001 521 F HN 0.163 nan 8.300 nan 0.000 0.479 522 S N 0.094 115.955 115.700 0.268 0.000 2.370 522 S HA -0.233 4.238 4.470 0.001 0.000 0.226 522 S C 2.355 177.043 174.600 0.147 0.000 1.033 522 S CA 1.097 59.411 58.200 0.190 0.000 1.011 522 S CB -0.878 62.423 63.200 0.168 0.000 0.852 522 S HN 0.388 nan 8.310 nan 0.000 0.457 523 A N 1.553 124.438 122.820 0.107 0.000 1.933 523 A HA 0.036 4.357 4.320 0.001 0.000 0.218 523 A C 2.131 179.739 177.584 0.040 0.000 1.175 523 A CA 1.031 53.099 52.037 0.051 0.000 0.628 523 A CB -0.753 18.251 19.000 0.005 0.000 0.814 523 A HN 0.444 nan 8.150 nan 0.000 0.444 524 L N -0.662 120.588 121.223 0.044 0.000 2.079 524 L HA -0.195 4.146 4.340 0.001 0.000 0.210 524 L C 2.782 179.727 176.870 0.125 0.000 1.081 524 L CA 1.817 56.691 54.840 0.056 0.000 0.752 524 L CB -0.876 41.227 42.059 0.074 0.000 0.896 524 L HN 0.364 nan 8.230 nan 0.000 0.433 525 T N -1.350 113.301 114.554 0.161 0.000 2.746 525 T HA -0.181 4.170 4.350 0.001 0.000 0.267 525 T C 1.882 176.686 174.700 0.173 0.000 1.039 525 T CA 1.899 64.100 62.100 0.169 0.000 1.142 525 T CB -0.249 68.721 68.868 0.169 0.000 0.866 525 T HN 0.346 nan 8.240 nan 0.000 0.444 526 T N 2.543 117.202 114.554 0.175 0.000 2.720 526 T HA -0.078 4.273 4.350 0.001 0.000 0.268 526 T C 2.044 176.930 174.700 0.309 0.000 1.037 526 T CA 1.005 63.257 62.100 0.254 0.000 1.144 526 T CB -0.263 68.707 68.868 0.169 0.000 0.864 526 T HN 0.185 nan 8.240 nan 0.000 0.444 527 M N 0.789 120.489 119.600 0.168 0.000 2.117 527 M HA -0.036 4.445 4.480 0.001 0.000 0.262 527 M C 2.489 179.002 176.300 0.354 0.000 1.065 527 M CA 1.081 56.474 55.300 0.155 0.000 1.114 527 M CB -1.591 30.953 32.600 -0.094 0.000 1.361 527 M HN 0.133 nan 8.290 nan 0.000 0.408 528 V N 0.468 120.527 119.914 0.242 0.000 2.295 528 V HA -0.260 3.861 4.120 0.001 0.000 0.246 528 V C 2.291 178.501 176.094 0.193 0.000 1.049 528 V CA 1.861 64.288 62.300 0.212 0.000 1.024 528 V CB -0.741 31.177 31.823 0.158 0.000 0.648 528 V HN 0.488 nan 8.190 nan 0.000 0.447 529 E N -1.125 119.179 120.200 0.172 0.000 2.106 529 E HA -0.196 4.154 4.350 0.001 0.000 0.192 529 E C 1.827 178.386 176.600 -0.068 0.000 0.984 529 E CA 1.438 57.858 56.400 0.032 0.000 0.806 529 E CB -0.120 29.573 29.700 -0.011 0.000 0.750 529 E HN 0.746 nan 8.360 nan 0.000 0.458 530 Y N 0.153 120.574 120.300 0.201 0.000 2.466 530 Y HA 0.256 4.807 4.550 0.001 0.000 0.272 530 Y C 0.715 176.786 175.900 0.285 0.000 1.169 530 Y CA -0.350 57.900 58.100 0.249 0.000 1.285 530 Y CB 0.260 38.890 38.460 0.283 0.000 1.078 530 Y HN -0.096 nan 8.280 nan 0.000 0.523 531 A N 0.970 123.993 122.820 0.338 0.000 2.511 531 A HA 0.376 4.697 4.320 0.001 0.000 0.242 531 A C 0.767 178.294 177.584 -0.095 0.000 1.069 531 A CA 0.328 52.437 52.037 0.121 0.000 0.763 531 A CB -0.171 18.944 19.000 0.191 0.000 1.001 531 A HN 0.327 nan 8.150 nan 0.000 0.498 532 T N -0.853 113.473 114.554 -0.381 0.000 2.938 532 T HA 0.432 4.783 4.350 0.001 0.000 0.285 532 T C 0.295 174.827 174.700 -0.279 0.000 1.028 532 T CA -0.383 61.486 62.100 -0.385 0.000 1.005 532 T CB 1.001 69.455 68.868 -0.689 0.000 1.157 532 T HN 0.450 nan 8.240 nan 0.000 0.550 533 D N 0.711 120.987 120.400 -0.208 0.000 2.218 533 D HA -0.054 4.587 4.640 0.001 0.000 0.204 533 D C 1.996 178.206 176.300 -0.149 0.000 0.976 533 D CA 1.308 55.224 54.000 -0.140 0.000 0.853 533 D CB -0.530 40.208 40.800 -0.104 0.000 0.939 533 D HN 0.670 nan 8.370 nan 0.000 0.481 534 T N 0.120 114.545 114.554 -0.215 0.000 2.962 534 T HA -0.060 4.290 4.350 0.001 0.000 0.270 534 T C 1.697 176.308 174.700 -0.148 0.000 1.088 534 T CA 0.877 62.871 62.100 -0.176 0.000 1.127 534 T CB 0.109 68.856 68.868 -0.202 0.000 0.883 534 T HN 0.176 nan 8.240 nan 0.000 0.493 535 V N -1.455 118.345 119.914 -0.190 0.000 3.006 535 V HA 0.740 4.861 4.120 0.001 0.000 0.357 535 V C 1.929 178.015 176.094 -0.012 0.000 1.377 535 V CA -0.256 61.993 62.300 -0.085 0.000 1.198 535 V CB -0.733 31.009 31.823 -0.135 0.000 1.216 535 V HN 0.242 nan 8.190 nan 0.000 0.520 536 A N 0.871 123.670 122.820 -0.035 0.000 1.927 536 A HA -0.290 4.031 4.320 0.001 0.000 0.220 536 A C 2.124 179.727 177.584 0.032 0.000 1.185 536 A CA 2.527 54.562 52.037 -0.003 0.000 0.639 536 A CB -0.479 18.510 19.000 -0.018 0.000 0.820 536 A HN 0.722 nan 8.150 nan 0.000 0.451 537 E N -0.739 119.480 120.200 0.032 0.000 2.153 537 E HA -0.180 4.171 4.350 0.001 0.000 0.194 537 E C 2.099 178.741 176.600 0.071 0.000 0.988 537 E CA 1.758 58.185 56.400 0.044 0.000 0.811 537 E CB -0.133 29.588 29.700 0.034 0.000 0.746 537 E HN 0.819 nan 8.360 nan 0.000 0.466 538 T N -2.498 112.120 114.554 0.106 0.000 2.896 538 T HA 0.011 4.362 4.350 0.001 0.000 0.263 538 T C 2.077 176.864 174.700 0.145 0.000 1.050 538 T CA 1.069 63.254 62.100 0.140 0.000 1.140 538 T CB -0.131 68.878 68.868 0.235 0.000 0.877 538 T HN -0.038 nan 8.240 nan 0.000 0.457 539 S N 2.066 117.858 115.700 0.153 0.000 2.370 539 S HA 0.000 4.471 4.470 0.001 0.000 0.226 539 S C 2.589 177.252 174.600 0.104 0.000 1.033 539 S CA 1.200 59.481 58.200 0.135 0.000 1.011 539 S CB -0.916 62.349 63.200 0.107 0.000 0.852 539 S HN 0.798 nan 8.310 nan 0.000 0.457 540 A N 1.398 124.268 122.820 0.083 0.000 1.933 540 A HA -0.085 4.236 4.320 0.001 0.000 0.218 540 A C 2.329 179.964 177.584 0.085 0.000 1.175 540 A CA 1.845 53.926 52.037 0.072 0.000 0.628 540 A CB -0.866 18.166 19.000 0.053 0.000 0.814 540 A HN 0.456 nan 8.150 nan 0.000 0.444 541 S N 0.000 115.752 115.700 0.087 0.000 2.359 541 S HA -0.146 4.325 4.470 0.001 0.000 0.224 541 S C 1.804 176.484 174.600 0.134 0.000 1.035 541 S CA 1.588 59.843 58.200 0.091 0.000 1.018 541 S CB -0.515 62.721 63.200 0.061 0.000 0.876 541 S HN 0.558 nan 8.310 nan 0.000 0.448 542 I N 1.100 121.750 120.570 0.135 0.000 2.179 542 I HA -0.180 3.991 4.170 0.001 0.000 0.242 542 I C 2.732 178.983 176.117 0.223 0.000 1.088 542 I CA 1.166 62.581 61.300 0.192 0.000 1.357 542 I CB -0.499 37.596 38.000 0.159 0.000 1.051 542 I HN 0.298 nan 8.210 nan 0.000 0.409 543 S N 0.219 116.011 115.700 0.154 0.000 2.359 543 S HA -0.244 4.227 4.470 0.001 0.000 0.223 543 S C 2.119 176.786 174.600 0.112 0.000 1.039 543 S CA 2.510 60.783 58.200 0.121 0.000 1.042 543 S CB -0.428 62.824 63.200 0.086 0.000 0.915 543 S HN 0.432 nan 8.310 nan 0.000 0.439 544 T N 1.555 116.178 114.554 0.115 0.000 2.708 544 T HA -0.077 4.274 4.350 0.001 0.000 0.266 544 T C 1.340 176.116 174.700 0.126 0.000 1.037 544 T CA 1.541 63.700 62.100 0.099 0.000 1.146 544 T CB -0.646 68.280 68.868 0.098 0.000 0.865 544 T HN 0.528 nan 8.240 nan 0.000 0.435 545 F N 2.720 122.699 119.950 0.048 0.000 2.065 545 F HA -0.218 4.310 4.527 0.001 0.000 0.298 545 F C 2.372 178.227 175.800 0.091 0.000 1.112 545 F CA 1.751 59.785 58.000 0.058 0.000 1.212 545 F CB -0.880 38.146 39.000 0.043 0.000 0.975 545 F HN 0.072 nan 8.300 nan 0.000 0.476 546 V N -1.198 118.672 119.914 -0.074 0.000 2.515 546 V HA -0.237 3.884 4.120 0.001 0.000 0.250 546 V C 2.237 178.250 176.094 -0.134 0.000 1.058 546 V CA 1.930 64.125 62.300 -0.175 0.000 1.064 546 V CB -0.879 31.010 31.823 0.109 0.000 0.675 546 V HN 0.511 nan 8.190 nan 0.000 0.461 547 M N 0.574 120.138 119.600 -0.061 0.000 2.123 547 M HA -0.084 4.396 4.480 0.001 0.000 0.263 547 M C 2.020 178.270 176.300 -0.083 0.000 1.069 547 M CA 2.279 57.546 55.300 -0.056 0.000 1.133 547 M CB -0.562 32.018 32.600 -0.032 0.000 1.356 547 M HN 0.327 nan 8.290 nan 0.000 0.415 548 D N 0.447 120.799 120.400 -0.081 0.000 2.104 548 D HA -0.179 4.462 4.640 0.001 0.000 0.194 548 D C 1.828 178.053 176.300 -0.126 0.000 0.994 548 D CA 1.309 55.263 54.000 -0.076 0.000 0.830 548 D CB -0.293 40.490 40.800 -0.028 0.000 0.959 548 D HN 0.089 nan 8.370 nan 0.000 0.452 549 K N 0.290 120.532 120.400 -0.263 0.000 2.097 549 K HA -0.091 4.230 4.320 0.001 0.000 0.206 549 K C 1.877 178.390 176.600 -0.146 0.000 1.049 549 K CA 0.477 56.598 56.287 -0.276 0.000 0.933 549 K CB -0.543 31.597 32.500 -0.599 0.000 0.717 549 K HN 0.056 nan 8.250 nan 0.000 0.442 550 L N 0.063 121.210 121.223 -0.127 0.000 2.042 550 L HA -0.032 4.309 4.340 0.001 0.000 0.210 550 L C 2.062 178.900 176.870 -0.053 0.000 1.076 550 L CA 2.414 57.212 54.840 -0.070 0.000 0.749 550 L CB -1.151 40.888 42.059 -0.033 0.000 0.893 550 L HN 0.304 nan 8.230 nan 0.000 0.432 551 G N -1.607 107.158 108.800 -0.059 0.000 2.402 551 G HA2 -0.309 3.652 3.960 0.001 0.000 0.216 551 G HA3 -0.309 3.652 3.960 0.001 0.000 0.216 551 G C 1.467 176.348 174.900 -0.032 0.000 1.162 551 G CA 0.688 45.762 45.100 -0.044 0.000 0.777 551 G HN 0.550 nan 8.290 nan 0.000 0.539 552 Q N 0.631 120.410 119.800 -0.035 0.000 2.061 552 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 552 Q C 2.712 178.703 176.000 -0.014 0.000 0.984 552 Q CA 2.569 58.361 55.803 -0.019 0.000 0.846 552 Q CB -0.543 28.188 28.738 -0.013 0.000 0.902 552 Q HN 0.562 nan 8.270 nan 0.000 0.421 553 T N -1.449 113.091 114.554 -0.022 0.000 2.849 553 T HA -0.132 4.219 4.350 0.001 0.000 0.270 553 T C 1.671 176.362 174.700 -0.015 0.000 1.066 553 T CA 1.513 63.602 62.100 -0.019 0.000 1.130 553 T CB -0.224 68.626 68.868 -0.031 0.000 0.864 553 T HN 0.309 nan 8.240 nan 0.000 0.481 554 M N 1.960 121.551 119.600 -0.015 0.000 2.618 554 M HA 0.134 4.615 4.480 0.001 0.000 0.240 554 M C 2.157 178.454 176.300 -0.005 0.000 1.123 554 M CA 0.760 56.055 55.300 -0.008 0.000 1.060 554 M CB -0.080 32.516 32.600 -0.007 0.000 1.535 554 M HN 0.502 nan 8.290 nan 0.000 0.507 555 S N -1.053 114.643 115.700 -0.006 0.000 2.575 555 S HA 0.137 4.608 4.470 0.001 0.000 0.215 555 S C 0.495 175.094 174.600 -0.003 0.000 0.966 555 S CA -0.492 57.706 58.200 -0.003 0.000 0.911 555 S CB -0.334 62.865 63.200 -0.003 0.000 0.780 555 S HN 0.153 nan 8.310 nan 0.000 0.514 556 V N 3.434 123.345 119.914 -0.005 0.000 2.432 556 V HA 0.245 4.366 4.120 0.001 0.000 0.271 556 V C 0.058 176.148 176.094 -0.008 0.000 1.046 556 V CA -0.669 61.627 62.300 -0.007 0.000 0.945 556 V CB 0.822 32.639 31.823 -0.010 0.000 0.992 556 V HN 0.375 nan 8.190 nan 0.000 0.471 557 D N 4.127 124.523 120.400 -0.007 0.000 2.346 557 D HA 0.056 4.697 4.640 0.001 0.000 0.260 557 D C 1.056 177.348 176.300 -0.014 0.000 1.252 557 D CA 0.137 54.133 54.000 -0.007 0.000 0.895 557 D CB 0.993 41.790 40.800 -0.005 0.000 1.097 557 D HN 0.649 nan 8.370 nan 0.000 0.489 558 E N 2.433 122.623 120.200 -0.017 0.000 2.358 558 E HA -0.076 4.275 4.350 0.001 0.000 0.195 558 E C 0.873 177.456 176.600 -0.029 0.000 1.010 558 E CA 0.140 56.523 56.400 -0.029 0.000 0.856 558 E CB 0.193 29.872 29.700 -0.036 0.000 0.795 558 E HN 0.421 nan 8.360 nan 0.000 0.504 559 N N 0.785 119.474 118.700 -0.019 0.000 2.550 559 N HA -0.077 4.664 4.740 0.001 0.000 0.186 559 N C 0.958 176.458 175.510 -0.016 0.000 1.110 559 N CA 0.670 53.710 53.050 -0.016 0.000 0.912 559 N CB 0.247 38.729 38.487 -0.009 0.000 0.968 559 N HN 0.154 nan 8.380 nan 0.000 0.448 560 Q N 0.068 119.858 119.800 -0.017 0.000 2.220 560 Q HA 0.262 4.603 4.340 0.001 0.000 0.205 560 Q C -0.128 175.860 176.000 -0.020 0.000 0.865 560 Q CA -0.028 55.766 55.803 -0.015 0.000 0.960 560 Q CB 0.764 29.495 28.738 -0.011 0.000 1.097 560 Q HN 0.337 nan 8.270 nan 0.000 0.493 561 L N 1.114 122.321 121.223 -0.027 0.000 2.325 561 L HA 0.368 4.709 4.340 0.001 0.000 0.278 561 L C 0.858 177.705 176.870 -0.038 0.000 1.023 561 L CA -0.706 54.114 54.840 -0.034 0.000 0.811 561 L CB 1.537 43.569 42.059 -0.044 0.000 1.249 561 L HN -0.008 nan 8.230 nan 0.000 0.431 562 T N -1.219 113.314 114.554 -0.036 0.000 2.726 562 T HA 0.104 4.455 4.350 0.001 0.000 0.294 562 T C 1.002 175.672 174.700 -0.051 0.000 1.013 562 T CA -0.574 61.505 62.100 -0.037 0.000 0.996 562 T CB 0.898 69.748 68.868 -0.031 0.000 1.016 562 T HN 0.501 nan 8.240 nan 0.000 0.529 563 L N 0.589 121.783 121.223 -0.049 0.000 2.042 563 L HA -0.038 4.303 4.340 0.001 0.000 0.210 563 L C 2.388 179.217 176.870 -0.068 0.000 1.076 563 L CA 1.945 56.747 54.840 -0.064 0.000 0.749 563 L CB -1.114 40.917 42.059 -0.046 0.000 0.893 563 L HN 0.764 nan 8.230 nan 0.000 0.432 564 E N -0.101 120.069 120.200 -0.050 0.000 2.072 564 E HA -0.169 4.181 4.350 0.001 0.000 0.191 564 E C 1.953 178.522 176.600 -0.052 0.000 0.985 564 E CA 1.328 57.700 56.400 -0.046 0.000 0.801 564 E CB -0.434 29.243 29.700 -0.038 0.000 0.750 564 E HN 0.523 nan 8.360 nan 0.000 0.452 565 D N 0.211 120.582 120.400 -0.049 0.000 2.117 565 D HA -0.127 4.514 4.640 0.001 0.000 0.197 565 D C 1.783 178.047 176.300 -0.061 0.000 0.987 565 D CA 1.546 55.518 54.000 -0.047 0.000 0.829 565 D CB -0.284 40.492 40.800 -0.040 0.000 0.961 565 D HN 0.216 nan 8.370 nan 0.000 0.460 566 A N 0.684 123.454 122.820 -0.083 0.000 1.929 566 A HA -0.180 4.141 4.320 0.001 0.000 0.216 566 A C 2.114 179.616 177.584 -0.137 0.000 1.176 566 A CA 1.119 53.085 52.037 -0.119 0.000 0.628 566 A CB -0.490 18.415 19.000 -0.159 0.000 0.816 566 A HN 0.196 nan 8.150 nan 0.000 0.444 567 Q N -0.631 119.096 119.800 -0.122 0.000 2.124 567 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 567 Q C 2.415 178.381 176.000 -0.056 0.000 0.977 567 Q CA 1.598 57.347 55.803 -0.090 0.000 0.850 567 Q CB -0.249 28.456 28.738 -0.056 0.000 0.901 567 Q HN 0.681 nan 8.270 nan 0.000 0.429 568 S N 0.670 116.339 115.700 -0.051 0.000 2.355 568 S HA -0.139 4.332 4.470 0.001 0.000 0.222 568 S C 1.884 176.463 174.600 -0.034 0.000 1.031 568 S CA 0.782 58.961 58.200 -0.035 0.000 0.993 568 S CB -0.160 63.021 63.200 -0.030 0.000 0.859 568 S HN 0.321 nan 8.310 nan 0.000 0.453 569 L N 1.794 122.990 121.223 -0.044 0.000 2.012 569 L HA -0.072 4.269 4.340 0.001 0.000 0.210 569 L C 2.460 179.300 176.870 -0.051 0.000 1.073 569 L CA 2.032 56.845 54.840 -0.044 0.000 0.748 569 L CB -1.050 40.980 42.059 -0.048 0.000 0.891 569 L HN 0.392 nan 8.230 nan 0.000 0.431 570 Q N -0.815 118.950 119.800 -0.058 0.000 2.061 570 Q HA -0.281 4.060 4.340 0.001 0.000 0.204 570 Q C 2.160 178.142 176.000 -0.029 0.000 0.984 570 Q CA 1.897 57.678 55.803 -0.037 0.000 0.846 570 Q CB -0.213 28.505 28.738 -0.034 0.000 0.902 570 Q HN 0.565 nan 8.270 nan 0.000 0.421 571 E N 0.714 120.896 120.200 -0.029 0.000 2.110 571 E HA -0.211 4.140 4.350 0.001 0.000 0.193 571 E C 1.691 178.243 176.600 -0.081 0.000 0.988 571 E CA 0.846 57.225 56.400 -0.034 0.000 0.804 571 E CB -0.264 29.426 29.700 -0.015 0.000 0.745 571 E HN 0.272 nan 8.360 nan 0.000 0.458 572 L N 0.709 121.880 121.223 -0.087 0.000 2.017 572 L HA -0.167 4.174 4.340 0.001 0.000 0.208 572 L C 2.148 178.871 176.870 -0.245 0.000 1.073 572 L CA 1.978 56.723 54.840 -0.158 0.000 0.745 572 L CB -0.759 41.259 42.059 -0.068 0.000 0.894 572 L HN 0.210 nan 8.230 nan 0.000 0.432 573 Q N -0.955 118.759 119.800 -0.144 0.000 2.084 573 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 573 Q C 2.226 178.144 176.000 -0.137 0.000 0.978 573 Q CA 1.818 57.545 55.803 -0.128 0.000 0.844 573 Q CB -0.209 28.494 28.738 -0.059 0.000 0.898 573 Q HN 0.562 nan 8.270 nan 0.000 0.426 574 S N 1.281 116.915 115.700 -0.109 0.000 2.359 574 S HA -0.175 4.296 4.470 0.001 0.000 0.223 574 S C 1.623 176.134 174.600 -0.147 0.000 1.039 574 S CA 1.475 59.617 58.200 -0.096 0.000 1.042 574 S CB -0.390 62.773 63.200 -0.062 0.000 0.915 574 S HN 0.395 nan 8.310 nan 0.000 0.439 575 N N 1.529 120.085 118.700 -0.240 0.000 2.061 575 N HA -0.067 4.674 4.740 0.001 0.000 0.193 575 N C 1.687 176.912 175.510 -0.475 0.000 1.030 575 N CA 1.232 54.065 53.050 -0.362 0.000 0.856 575 N CB -0.602 37.508 38.487 -0.630 0.000 1.023 575 N HN 0.408 nan 8.380 nan 0.000 0.424 576 I N 0.670 120.874 120.570 -0.610 0.000 2.202 576 I HA -0.203 3.968 4.170 0.001 0.000 0.242 576 I C 2.037 178.099 176.117 -0.092 0.000 1.091 576 I CA 0.794 61.867 61.300 -0.377 0.000 1.368 576 I CB -0.194 37.628 38.000 -0.296 0.000 1.058 576 I HN 0.039 nan 8.210 nan 0.000 0.410 577 L N -0.081 121.094 121.223 -0.081 0.000 2.141 577 L HA -0.172 4.169 4.340 0.001 0.000 0.209 577 L C 2.585 179.476 176.870 0.034 0.000 1.094 577 L CA 1.301 56.132 54.840 -0.015 0.000 0.763 577 L CB -0.791 41.238 42.059 -0.049 0.000 0.908 577 L HN 0.252 nan 8.230 nan 0.000 0.437 578 T N -0.659 113.913 114.554 0.029 0.000 2.708 578 T HA -0.164 4.187 4.350 0.001 0.000 0.266 578 T C 1.977 176.761 174.700 0.140 0.000 1.037 578 T CA 1.507 63.664 62.100 0.096 0.000 1.146 578 T CB -0.251 68.642 68.868 0.041 0.000 0.865 578 T HN 0.078 nan 8.240 nan 0.000 0.435 579 V N 1.467 121.469 119.914 0.146 0.000 2.358 579 V HA -0.086 4.035 4.120 0.001 0.000 0.246 579 V C 2.395 178.584 176.094 0.159 0.000 1.047 579 V CA 1.142 63.561 62.300 0.198 0.000 1.035 579 V CB -0.732 31.283 31.823 0.320 0.000 0.658 579 V HN 0.297 nan 8.190 nan 0.000 0.452 580 L N 1.076 122.378 121.223 0.131 0.000 2.046 580 L HA -0.077 4.263 4.340 0.001 0.000 0.208 580 L C 2.490 179.412 176.870 0.088 0.000 1.077 580 L CA 2.307 57.217 54.840 0.117 0.000 0.747 580 L CB -1.077 41.059 42.059 0.128 0.000 0.896 580 L HN 0.224 nan 8.230 nan 0.000 0.432 581 A N -0.423 122.438 122.820 0.067 0.000 1.883 581 A HA -0.184 4.137 4.320 0.001 0.000 0.217 581 A C 2.473 180.061 177.584 0.007 0.000 1.186 581 A CA 2.175 54.209 52.037 -0.005 0.000 0.624 581 A CB -1.271 17.740 19.000 0.017 0.000 0.822 581 A HN 0.588 nan 8.150 nan 0.000 0.444 582 A N -0.718 122.150 122.820 0.079 0.000 1.883 582 A HA -0.029 4.292 4.320 0.001 0.000 0.217 582 A C 2.262 179.883 177.584 0.062 0.000 1.186 582 A CA 1.877 53.960 52.037 0.078 0.000 0.624 582 A CB -1.037 18.035 19.000 0.120 0.000 0.822 582 A HN 0.420 nan 8.150 nan 0.000 0.444 583 V N 0.194 120.157 119.914 0.081 0.000 2.287 583 V HA -0.290 3.831 4.120 0.001 0.000 0.248 583 V C 2.446 178.567 176.094 0.046 0.000 1.053 583 V CA 2.172 64.519 62.300 0.078 0.000 1.027 583 V CB -0.646 31.236 31.823 0.098 0.000 0.646 583 V HN 0.582 nan 8.190 nan 0.000 0.447 584 I N -0.775 119.815 120.570 0.033 0.000 2.179 584 I HA -0.235 3.936 4.170 0.001 0.000 0.242 584 I C 2.764 178.872 176.117 -0.013 0.000 1.088 584 I CA 1.561 62.868 61.300 0.013 0.000 1.357 584 I CB -0.465 37.541 38.000 0.009 0.000 1.051 584 I HN 0.190 nan 8.210 nan 0.000 0.409 585 R N 0.607 121.086 120.500 -0.035 0.000 2.096 585 R HA -0.206 4.135 4.340 0.001 0.000 0.235 585 R C 2.273 178.556 176.300 -0.029 0.000 1.127 585 R CA 1.291 57.360 56.100 -0.052 0.000 0.968 585 R CB -0.246 30.008 30.300 -0.075 0.000 0.861 585 R HN 0.144 nan 8.270 nan 0.000 0.440 586 K N 0.828 121.224 120.400 -0.006 0.000 2.167 586 K HA -0.031 4.290 4.320 0.001 0.000 0.203 586 K C 0.210 176.810 176.600 0.001 0.000 1.052 586 K CA 1.013 57.300 56.287 0.000 0.000 0.956 586 K CB 0.401 32.915 32.500 0.023 0.000 0.735 586 K HN 0.102 nan 8.250 nan 0.000 0.451 587 S N -0.084 115.620 115.700 0.007 0.000 2.259 587 S HA 0.359 4.830 4.470 0.001 0.000 0.181 587 S C -2.204 172.400 174.600 0.006 0.000 1.589 587 S CA -1.244 56.961 58.200 0.007 0.000 1.234 587 S CB 1.395 64.606 63.200 0.017 0.000 1.119 587 S HN 0.009 nan 8.310 nan 0.000 0.458 588 P HA -0.086 nan 4.420 nan 0.000 0.223 588 P C 1.569 178.875 177.300 0.010 0.000 1.151 588 P CA 1.039 64.139 63.100 0.000 0.000 0.787 588 P CB -0.074 31.620 31.700 -0.010 0.000 0.788 589 S N 0.221 115.925 115.700 0.007 0.000 2.428 589 S HA -0.067 4.404 4.470 0.001 0.000 0.230 589 S C 1.911 176.520 174.600 0.014 0.000 1.014 589 S CA 1.124 59.330 58.200 0.010 0.000 0.957 589 S CB -1.354 61.848 63.200 0.004 0.000 0.784 589 S HN 0.285 nan 8.310 nan 0.000 0.499 590 S N 0.280 115.989 115.700 0.015 0.000 2.634 590 S HA 0.313 4.784 4.470 0.001 0.000 0.221 590 S C 1.112 175.724 174.600 0.019 0.000 0.952 590 S CA -0.120 58.090 58.200 0.017 0.000 0.930 590 S CB 0.079 63.291 63.200 0.019 0.000 0.780 590 S HN 0.324 nan 8.310 nan 0.000 0.498 591 V N 0.953 120.880 119.914 0.022 0.000 2.922 591 V HA 0.084 4.205 4.120 0.001 0.000 0.242 591 V C 2.305 178.417 176.094 0.030 0.000 1.094 591 V CA 0.844 63.158 62.300 0.024 0.000 1.106 591 V CB -0.461 31.378 31.823 0.027 0.000 0.799 591 V HN 0.408 nan 8.190 nan 0.000 0.474 592 E N 0.884 121.108 120.200 0.040 0.000 2.108 592 E HA -0.256 4.095 4.350 0.001 0.000 0.203 592 E C -0.350 176.275 176.600 0.042 0.000 1.022 592 E CA 2.220 58.651 56.400 0.053 0.000 0.823 592 E CB -1.160 28.568 29.700 0.047 0.000 0.744 592 E HN 0.549 nan 8.360 nan 0.000 0.456 593 P HA -0.133 nan 4.420 nan 0.000 0.218 593 P C 1.290 178.595 177.300 0.008 0.000 1.149 593 P CA 1.223 64.334 63.100 0.017 0.000 0.817 593 P CB 0.064 31.771 31.700 0.012 0.000 0.785 594 V N -4.756 115.156 119.914 -0.003 0.000 3.647 594 V HA 0.400 4.521 4.120 0.001 0.000 0.279 594 V C 1.936 177.994 176.094 -0.060 0.000 1.314 594 V CA 0.548 62.828 62.300 -0.033 0.000 1.125 594 V CB -1.158 30.639 31.823 -0.043 0.000 0.907 594 V HN -0.038 nan 8.190 nan 0.000 0.434 595 A N 1.290 124.101 122.820 -0.014 0.000 1.873 595 A HA -0.250 4.071 4.320 0.001 0.000 0.218 595 A C 1.905 179.449 177.584 -0.067 0.000 1.193 595 A CA 2.517 54.543 52.037 -0.018 0.000 0.629 595 A CB -0.841 18.232 19.000 0.121 0.000 0.826 595 A HN 0.527 nan 8.150 nan 0.000 0.447 596 D N -1.192 119.241 120.400 0.054 0.000 2.104 596 D HA -0.161 4.480 4.640 0.001 0.000 0.194 596 D C 1.854 178.125 176.300 -0.049 0.000 0.994 596 D CA 1.740 55.791 54.000 0.086 0.000 0.830 596 D CB -0.362 40.494 40.800 0.093 0.000 0.959 596 D HN 0.328 nan 8.370 nan 0.000 0.452 597 M N 0.200 119.747 119.600 -0.089 0.000 2.117 597 M HA -0.037 4.444 4.480 0.001 0.000 0.262 597 M C 1.947 178.072 176.300 -0.291 0.000 1.065 597 M CA 1.152 56.368 55.300 -0.139 0.000 1.114 597 M CB -0.640 31.895 32.600 -0.107 0.000 1.361 597 M HN -0.008 nan 8.290 nan 0.000 0.408 598 L N -0.967 120.014 121.223 -0.404 0.000 1.989 598 L HA -0.282 4.059 4.340 0.001 0.000 0.211 598 L C 2.442 178.626 176.870 -1.144 0.000 1.071 598 L CA 1.172 55.513 54.840 -0.831 0.000 0.749 598 L CB -0.794 40.813 42.059 -0.753 0.000 0.890 598 L HN 0.296 nan 8.230 nan 0.000 0.431 599 M N -0.305 118.850 119.600 -0.741 0.000 2.149 599 M HA -0.129 4.352 4.480 0.001 0.000 0.261 599 M C 2.403 178.504 176.300 -0.332 0.000 1.064 599 M CA 1.803 56.720 55.300 -0.638 0.000 1.102 599 M CB -1.872 30.257 32.600 -0.785 0.000 1.369 599 M HN 0.351 nan 8.290 nan 0.000 0.408 600 G N 0.901 109.601 108.800 -0.166 0.000 2.553 600 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 600 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 600 G C 1.651 176.515 174.900 -0.060 0.000 1.195 600 G CA 1.001 46.091 45.100 -0.015 0.000 0.779 600 G HN 0.443 nan 8.290 nan 0.000 0.577 601 L N -0.672 120.418 121.223 -0.222 0.000 2.046 601 L HA -0.032 4.309 4.340 0.001 0.000 0.208 601 L C 2.816 179.649 176.870 -0.062 0.000 1.077 601 L CA 0.815 55.551 54.840 -0.173 0.000 0.747 601 L CB -0.602 41.293 42.059 -0.274 0.000 0.896 601 L HN 0.074 nan 8.230 nan 0.000 0.432 602 F N -0.139 119.679 119.950 -0.220 0.000 2.102 602 F HA -0.181 4.347 4.527 0.001 0.000 0.298 602 F C 2.384 177.996 175.800 -0.314 0.000 1.105 602 F CA 0.838 58.642 58.000 -0.326 0.000 1.239 602 F CB -1.353 37.339 39.000 -0.513 0.000 0.991 602 F HN -0.083 nan 8.300 nan 0.000 0.474 603 F N 0.486 120.440 119.950 0.006 0.000 2.126 603 F HA -0.169 4.359 4.527 0.002 0.000 0.299 603 F C 2.497 178.279 175.800 -0.030 0.000 1.096 603 F CA 1.179 59.139 58.000 -0.068 0.000 1.255 603 F CB -1.128 37.874 39.000 0.002 0.000 0.997 603 F HN -0.116 nan 8.300 nan 0.000 0.479 604 R N 0.063 120.667 120.500 0.174 0.000 2.091 604 R HA -0.165 4.176 4.340 0.001 0.000 0.238 604 R C 2.232 178.585 176.300 0.090 0.000 1.136 604 R CA 1.459 57.627 56.100 0.113 0.000 0.959 604 R CB -0.760 29.581 30.300 0.069 0.000 0.856 604 R HN 0.301 nan 8.270 nan 0.000 0.437 605 L N 0.460 121.729 121.223 0.077 0.000 2.083 605 L HA -0.189 4.152 4.340 0.001 0.000 0.209 605 L C 2.270 179.178 176.870 0.064 0.000 1.083 605 L CA 1.081 55.962 54.840 0.068 0.000 0.752 605 L CB -0.318 41.787 42.059 0.076 0.000 0.899 605 L HN 0.227 nan 8.230 nan 0.000 0.433 606 L N -0.741 120.500 121.223 0.029 0.000 2.217 606 L HA -0.159 4.182 4.340 0.001 0.000 0.211 606 L C 2.216 179.158 176.870 0.120 0.000 1.107 606 L CA 1.052 55.893 54.840 0.001 0.000 0.783 606 L CB -0.233 41.628 42.059 -0.329 0.000 0.919 606 L HN 0.283 nan 8.230 nan 0.000 0.442 607 E N 0.139 120.427 120.200 0.146 0.000 2.299 607 E HA -0.079 4.272 4.350 0.001 0.000 0.193 607 E C 0.599 177.280 176.600 0.134 0.000 0.998 607 E CA -0.085 56.429 56.400 0.190 0.000 0.851 607 E CB 0.215 30.025 29.700 0.183 0.000 0.795 607 E HN 0.394 nan 8.360 nan 0.000 0.492 608 K N 1.733 122.198 120.400 0.107 0.000 2.440 608 K HA 0.012 4.333 4.320 0.001 0.000 0.270 608 K C -0.589 176.064 176.600 0.089 0.000 0.980 608 K CA -0.052 56.285 56.287 0.083 0.000 0.953 608 K CB 0.428 32.968 32.500 0.066 0.000 0.925 608 K HN -0.318 nan 8.250 nan 0.000 0.497 609 K N 2.223 122.665 120.400 0.069 0.000 2.451 609 K HA -0.040 4.281 4.320 0.001 0.000 0.280 609 K C -0.692 175.959 176.600 0.085 0.000 1.020 609 K CA 0.509 56.838 56.287 0.070 0.000 1.008 609 K CB 0.168 32.694 32.500 0.043 0.000 0.917 609 K HN 0.707 nan 8.250 nan 0.000 0.478 610 D N 1.665 122.148 120.400 0.139 0.000 2.775 610 D HA -0.142 4.499 4.640 0.001 0.000 0.235 610 D C 0.120 176.595 176.300 0.291 0.000 1.120 610 D CA 1.083 55.243 54.000 0.266 0.000 0.708 610 D CB -1.409 39.480 40.800 0.147 0.000 1.084 610 D HN 0.605 nan 8.370 nan 0.000 0.434 611 S N -0.535 115.281 115.700 0.192 0.000 2.400 611 S HA -0.149 4.321 4.470 0.001 0.000 0.232 611 S C 2.290 176.980 174.600 0.149 0.000 1.025 611 S CA 1.086 59.382 58.200 0.160 0.000 0.993 611 S CB -0.011 63.275 63.200 0.144 0.000 0.808 611 S HN 0.622 nan 8.310 nan 0.000 0.478 612 A N 1.061 123.949 122.820 0.113 0.000 2.042 612 A HA -0.117 4.204 4.320 0.001 0.000 0.222 612 A C 1.790 179.297 177.584 -0.129 0.000 1.167 612 A CA 1.504 53.511 52.037 -0.051 0.000 0.649 612 A CB -0.942 17.961 19.000 -0.161 0.000 0.809 612 A HN 0.502 nan 8.150 nan 0.000 0.457 613 F N -0.408 119.538 119.950 -0.006 0.000 2.234 613 F HA 0.050 4.578 4.527 0.001 0.000 0.296 613 F C 1.908 177.697 175.800 -0.019 0.000 1.089 613 F CA 1.413 59.404 58.000 -0.015 0.000 1.343 613 F CB -0.093 38.900 39.000 -0.012 0.000 1.040 613 F HN 0.339 nan 8.300 nan 0.000 0.498 614 I N -2.288 118.380 120.570 0.163 0.000 4.082 614 I HA 0.187 4.358 4.170 0.001 0.000 0.337 614 I C 1.593 177.745 176.117 0.059 0.000 1.352 614 I CA 0.062 61.411 61.300 0.081 0.000 1.097 614 I CB -0.549 37.490 38.000 0.065 0.000 1.048 614 I HN 0.106 nan 8.210 nan 0.000 0.393 615 E N 1.632 121.871 120.200 0.065 0.000 2.153 615 E HA -0.275 4.076 4.350 0.001 0.000 0.194 615 E C 1.276 177.950 176.600 0.123 0.000 0.988 615 E CA 1.683 58.151 56.400 0.114 0.000 0.811 615 E CB -0.335 29.416 29.700 0.086 0.000 0.746 615 E HN 0.544 nan 8.360 nan 0.000 0.466 616 D N 1.474 121.878 120.400 0.006 0.000 2.097 616 D HA -0.178 4.462 4.640 0.001 0.000 0.195 616 D C 1.567 177.909 176.300 0.070 0.000 0.989 616 D CA 1.617 55.613 54.000 -0.007 0.000 0.827 616 D CB -0.088 40.675 40.800 -0.063 0.000 0.966 616 D HN 0.121 nan 8.370 nan 0.000 0.456 617 D N -0.484 119.932 120.400 0.027 0.000 2.178 617 D HA -0.092 4.549 4.640 0.001 0.000 0.202 617 D C 2.211 178.504 176.300 -0.012 0.000 0.974 617 D CA 0.400 54.411 54.000 0.017 0.000 0.841 617 D CB 0.020 40.806 40.800 -0.023 0.000 0.953 617 D HN 0.185 nan 8.370 nan 0.000 0.478 618 V N 0.600 120.502 119.914 -0.021 0.000 2.379 618 V HA -0.193 3.928 4.120 0.001 0.000 0.245 618 V C 2.118 178.064 176.094 -0.248 0.000 1.044 618 V CA 1.095 63.270 62.300 -0.208 0.000 1.036 618 V CB -0.512 31.249 31.823 -0.103 0.000 0.664 618 V HN 0.029 nan 8.190 nan 0.000 0.453 619 F N -0.901 118.955 119.950 -0.157 0.000 2.186 619 F HA -0.139 4.388 4.527 0.001 0.000 0.299 619 F C 2.276 178.033 175.800 -0.072 0.000 1.090 619 F CA 1.525 59.473 58.000 -0.085 0.000 1.307 619 F CB -0.618 38.405 39.000 0.039 0.000 1.019 619 F HN 0.145 nan 8.300 nan 0.000 0.489 620 Y N 0.183 120.487 120.300 0.007 0.000 2.224 620 Y HA -0.171 4.380 4.550 0.001 0.000 0.289 620 Y C 2.329 178.129 175.900 -0.167 0.000 1.146 620 Y CA 1.236 59.305 58.100 -0.052 0.000 1.182 620 Y CB -0.637 37.797 38.460 -0.043 0.000 0.983 620 Y HN -0.011 nan 8.280 nan 0.000 0.524 621 A N -0.356 122.302 122.820 -0.270 0.000 1.930 621 A HA -0.073 4.248 4.320 0.001 0.000 0.215 621 A C 2.253 179.513 177.584 -0.540 0.000 1.176 621 A CA 1.453 53.207 52.037 -0.472 0.000 0.632 621 A CB -0.909 17.649 19.000 -0.736 0.000 0.819 621 A HN 0.502 nan 8.150 nan 0.000 0.445 622 I N -0.113 120.061 120.570 -0.660 0.000 2.252 622 I HA -0.220 3.951 4.170 0.001 0.000 0.245 622 I C 2.619 178.497 176.117 -0.399 0.000 1.102 622 I CA 1.373 62.342 61.300 -0.553 0.000 1.385 622 I CB -0.244 37.226 38.000 -0.883 0.000 1.064 622 I HN 0.218 nan 8.210 nan 0.000 0.414 623 S N 0.860 116.399 115.700 -0.269 0.000 2.370 623 S HA -0.210 4.260 4.470 0.001 0.000 0.226 623 S C 2.261 176.675 174.600 -0.309 0.000 1.033 623 S CA 1.397 59.492 58.200 -0.175 0.000 1.011 623 S CB -0.425 62.721 63.200 -0.091 0.000 0.852 623 S HN 0.557 nan 8.310 nan 0.000 0.457 624 A N 1.306 123.925 122.820 -0.334 0.000 1.877 624 A HA -0.052 4.269 4.320 0.001 0.000 0.216 624 A C 2.140 179.612 177.584 -0.187 0.000 1.186 624 A CA 1.414 53.284 52.037 -0.277 0.000 0.620 624 A CB -0.767 18.073 19.000 -0.268 0.000 0.822 624 A HN 0.403 nan 8.150 nan 0.000 0.443 625 L N -0.308 120.827 121.223 -0.146 0.000 2.046 625 L HA -0.060 4.281 4.340 0.001 0.000 0.208 625 L C 2.757 179.579 176.870 -0.081 0.000 1.077 625 L CA 2.028 56.845 54.840 -0.039 0.000 0.747 625 L CB -0.801 41.306 42.059 0.081 0.000 0.896 625 L HN 0.378 nan 8.230 nan 0.000 0.432 626 A N -0.436 122.133 122.820 -0.418 0.000 1.873 626 A HA -0.228 4.093 4.320 0.001 0.000 0.218 626 A C 2.477 179.875 177.584 -0.310 0.000 1.193 626 A CA 2.297 53.911 52.037 -0.705 0.000 0.629 626 A CB -1.356 16.971 19.000 -1.120 0.000 0.826 626 A HN 0.557 nan 8.150 nan 0.000 0.447 627 A N -0.857 121.787 122.820 -0.293 0.000 1.883 627 A HA -0.123 4.198 4.320 0.001 0.000 0.217 627 A C 2.468 179.984 177.584 -0.114 0.000 1.186 627 A CA 2.349 54.262 52.037 -0.205 0.000 0.624 627 A CB -0.915 17.960 19.000 -0.209 0.000 0.822 627 A HN 0.481 nan 8.150 nan 0.000 0.444 628 S N -0.550 115.099 115.700 -0.084 0.000 2.387 628 S HA 0.042 4.513 4.470 0.001 0.000 0.226 628 S C 1.728 176.338 174.600 0.017 0.000 1.026 628 S CA 1.156 59.338 58.200 -0.031 0.000 0.972 628 S CB -0.304 62.884 63.200 -0.019 0.000 0.814 628 S HN 0.496 nan 8.310 nan 0.000 0.477 629 L N 0.748 122.009 121.223 0.063 0.000 2.313 629 L HA 0.134 4.474 4.340 0.001 0.000 0.214 629 L C 1.923 178.864 176.870 0.118 0.000 1.119 629 L CA 0.416 55.336 54.840 0.132 0.000 0.809 629 L CB -1.217 41.004 42.059 0.270 0.000 0.933 629 L HN 0.493 nan 8.230 nan 0.000 0.449 630 G N 1.005 109.853 108.800 0.080 0.000 2.660 630 G HA2 -0.434 3.527 3.960 0.001 0.000 0.321 630 G HA3 -0.434 3.527 3.960 0.001 0.000 0.321 630 G C 0.903 175.894 174.900 0.152 0.000 1.246 630 G CA 0.718 45.864 45.100 0.076 0.000 1.000 630 G HN 0.275 nan 8.290 nan 0.000 0.550 631 K N 1.521 121.999 120.400 0.129 0.000 2.280 631 K HA 0.008 4.329 4.320 0.001 0.000 0.202 631 K C 2.706 179.396 176.600 0.150 0.000 1.047 631 K CA 1.080 57.456 56.287 0.147 0.000 0.942 631 K CB -0.536 32.028 32.500 0.108 0.000 0.739 631 K HN 0.576 nan 8.250 nan 0.000 0.457 632 G N 0.567 109.454 108.800 0.144 0.000 2.479 632 G HA2 -0.253 3.708 3.960 0.001 0.000 0.220 632 G HA3 -0.253 3.708 3.960 0.001 0.000 0.220 632 G C 1.170 176.187 174.900 0.195 0.000 1.115 632 G CA 0.217 45.399 45.100 0.136 0.000 0.757 632 G HN 0.265 nan 8.290 nan 0.000 0.560 633 F N 1.018 121.059 119.950 0.152 0.000 2.558 633 F HA 0.188 4.716 4.527 0.002 0.000 0.298 633 F C 2.394 178.318 175.800 0.206 0.000 1.119 633 F CA 0.681 58.848 58.000 0.279 0.000 1.451 633 F CB 0.164 39.303 39.000 0.232 0.000 1.091 633 F HN 0.226 nan 8.300 nan 0.000 0.563 634 E N 0.812 121.123 120.200 0.186 0.000 2.147 634 E HA -0.313 4.038 4.350 0.001 0.000 0.199 634 E C 2.083 178.638 176.600 -0.074 0.000 1.005 634 E CA 1.866 58.338 56.400 0.121 0.000 0.810 634 E CB -0.210 29.583 29.700 0.156 0.000 0.736 634 E HN 0.553 nan 8.360 nan 0.000 0.460 635 K N 0.047 120.265 120.400 -0.304 0.000 2.281 635 K HA -0.189 4.132 4.320 0.001 0.000 0.203 635 K C 1.123 177.434 176.600 -0.482 0.000 1.046 635 K CA 1.503 57.523 56.287 -0.445 0.000 0.938 635 K CB -0.243 31.900 32.500 -0.594 0.000 0.737 635 K HN 0.243 nan 8.250 nan 0.000 0.458 636 Y N 1.076 121.222 120.300 -0.257 0.000 2.482 636 Y HA 0.212 4.763 4.550 0.001 0.000 0.270 636 Y C 1.884 177.784 175.900 -0.001 0.000 1.152 636 Y CA -0.264 57.711 58.100 -0.207 0.000 1.292 636 Y CB -0.092 38.004 38.460 -0.606 0.000 1.070 636 Y HN -0.102 nan 8.280 nan 0.000 0.528 637 L N 0.052 121.351 121.223 0.126 0.000 2.046 637 L HA -0.204 4.137 4.340 0.001 0.000 0.208 637 L C 2.601 179.600 176.870 0.215 0.000 1.077 637 L CA 1.611 56.613 54.840 0.269 0.000 0.747 637 L CB -0.306 41.867 42.059 0.189 0.000 0.896 637 L HN 0.293 nan 8.230 nan 0.000 0.432 638 E N -0.017 120.260 120.200 0.129 0.000 2.038 638 E HA -0.240 4.111 4.350 0.001 0.000 0.195 638 E C 2.024 178.669 176.600 0.074 0.000 1.000 638 E CA 2.298 58.748 56.400 0.083 0.000 0.803 638 E CB 0.055 29.780 29.700 0.042 0.000 0.750 638 E HN 0.565 nan 8.360 nan 0.000 0.448 639 T N -0.509 114.092 114.554 0.079 0.000 2.821 639 T HA -0.154 4.197 4.350 0.001 0.000 0.267 639 T C 1.697 176.532 174.700 0.225 0.000 1.046 639 T CA 0.995 63.090 62.100 -0.008 0.000 1.139 639 T CB -0.544 68.159 68.868 -0.275 0.000 0.871 639 T HN 0.147 nan 8.240 nan 0.000 0.454 640 F N 2.015 122.168 119.950 0.338 0.000 2.325 640 F HA 0.159 4.687 4.527 0.001 0.000 0.299 640 F C 2.599 178.556 175.800 0.262 0.000 1.090 640 F CA 0.275 58.558 58.000 0.471 0.000 1.392 640 F CB -0.779 38.414 39.000 0.321 0.000 1.053 640 F HN 0.177 nan 8.300 nan 0.000 0.521 641 S N 0.709 116.456 115.700 0.077 0.000 2.372 641 S HA -0.176 4.295 4.470 0.001 0.000 0.227 641 S C -0.342 174.168 174.600 -0.150 0.000 1.044 641 S CA 2.168 60.325 58.200 -0.071 0.000 1.050 641 S CB -1.286 61.925 63.200 0.017 0.000 0.901 641 S HN 0.255 nan 8.310 nan 0.000 0.447 642 P HA -0.046 nan 4.420 nan 0.000 0.217 642 P C 0.656 177.814 177.300 -0.236 0.000 1.150 642 P CA 1.139 64.107 63.100 -0.219 0.000 0.832 642 P CB -0.170 31.339 31.700 -0.319 0.000 0.787 643 Y N -0.767 119.460 120.300 -0.120 0.000 2.145 643 Y HA -0.130 4.421 4.550 0.002 0.000 0.286 643 Y C 2.365 178.210 175.900 -0.092 0.000 1.145 643 Y CA 0.828 58.899 58.100 -0.050 0.000 1.148 643 Y CB -1.504 36.975 38.460 0.033 0.000 0.981 643 Y HN -0.149 nan 8.280 nan 0.000 0.507 644 L N 0.068 121.076 121.223 -0.357 0.000 1.989 644 L HA -0.228 4.113 4.340 0.001 0.000 0.211 644 L C 2.058 178.901 176.870 -0.045 0.000 1.071 644 L CA 1.763 56.443 54.840 -0.267 0.000 0.749 644 L CB -0.949 40.758 42.059 -0.587 0.000 0.890 644 L HN 0.218 nan 8.230 nan 0.000 0.431 645 L N -0.696 120.484 121.223 -0.071 0.000 2.042 645 L HA -0.236 4.105 4.340 0.001 0.000 0.210 645 L C 2.626 179.484 176.870 -0.021 0.000 1.076 645 L CA 1.615 56.440 54.840 -0.025 0.000 0.749 645 L CB -0.767 41.275 42.059 -0.029 0.000 0.893 645 L HN 0.271 nan 8.230 nan 0.000 0.432 646 K N 0.734 121.120 120.400 -0.024 0.000 2.026 646 K HA -0.135 4.186 4.320 0.001 0.000 0.208 646 K C 2.062 178.643 176.600 -0.033 0.000 1.048 646 K CA 1.651 57.928 56.287 -0.018 0.000 0.929 646 K CB -0.430 32.067 32.500 -0.004 0.000 0.713 646 K HN 0.227 nan 8.250 nan 0.000 0.439 647 A N 0.622 123.416 122.820 -0.044 0.000 1.902 647 A HA -0.113 4.208 4.320 0.001 0.000 0.217 647 A C 2.256 179.764 177.584 -0.125 0.000 1.181 647 A CA 1.678 53.611 52.037 -0.174 0.000 0.623 647 A CB -0.758 17.970 19.000 -0.454 0.000 0.818 647 A HN 0.328 nan 8.150 nan 0.000 0.443 648 L N -0.746 120.447 121.223 -0.050 0.000 2.079 648 L HA -0.224 4.116 4.340 0.001 0.000 0.210 648 L C 2.016 178.872 176.870 -0.024 0.000 1.081 648 L CA 1.787 56.616 54.840 -0.018 0.000 0.752 648 L CB -0.505 41.570 42.059 0.027 0.000 0.896 648 L HN 0.477 nan 8.230 nan 0.000 0.433 649 N N -1.089 117.597 118.700 -0.024 0.000 2.467 649 N HA -0.055 4.686 4.740 0.001 0.000 0.184 649 N C 0.322 175.813 175.510 -0.031 0.000 1.106 649 N CA -0.042 52.997 53.050 -0.019 0.000 0.892 649 N CB 0.194 38.674 38.487 -0.011 0.000 0.969 649 N HN 0.326 nan 8.380 nan 0.000 0.454 650 Q N 1.389 121.158 119.800 -0.051 0.000 3.159 650 Q HA 0.031 4.372 4.340 0.001 0.000 0.280 650 Q C 1.058 177.021 176.000 -0.062 0.000 1.403 650 Q CA -0.189 55.577 55.803 -0.061 0.000 0.957 650 Q CB 0.225 28.911 28.738 -0.087 0.000 1.729 650 Q HN 0.335 nan 8.270 nan 0.000 0.551 651 V N -1.708 118.180 119.914 -0.044 0.000 3.141 651 V HA -0.151 3.970 4.120 0.001 0.000 0.265 651 V C 1.391 177.460 176.094 -0.041 0.000 1.126 651 V CA 1.569 63.846 62.300 -0.038 0.000 1.141 651 V CB -0.296 31.514 31.823 -0.021 0.000 0.743 651 V HN 0.552 nan 8.190 nan 0.000 0.492 652 D N 0.293 120.664 120.400 -0.048 0.000 2.348 652 D HA 0.030 4.671 4.640 0.001 0.000 0.211 652 D C 1.156 177.417 176.300 -0.064 0.000 0.998 652 D CA 0.605 54.575 54.000 -0.051 0.000 0.873 652 D CB 0.426 41.197 40.800 -0.049 0.000 0.925 652 D HN 0.501 nan 8.370 nan 0.000 0.524 653 S N 0.836 116.490 115.700 -0.076 0.000 2.509 653 S HA 0.358 4.829 4.470 0.001 0.000 0.297 653 S C -1.817 172.724 174.600 -0.099 0.000 1.118 653 S CA -1.679 56.463 58.200 -0.096 0.000 1.074 653 S CB 1.860 64.992 63.200 -0.114 0.000 1.038 653 S HN -0.258 nan 8.310 nan 0.000 0.498 654 P HA -0.123 nan 4.420 nan 0.000 0.217 654 P C 1.556 178.786 177.300 -0.118 0.000 1.148 654 P CA 0.736 63.779 63.100 -0.094 0.000 0.834 654 P CB -0.056 31.588 31.700 -0.093 0.000 0.783 655 V N 0.763 120.576 119.914 -0.168 0.000 2.392 655 V HA -0.267 3.854 4.120 0.001 0.000 0.249 655 V C 2.539 178.475 176.094 -0.262 0.000 1.059 655 V CA 2.722 64.858 62.300 -0.273 0.000 1.051 655 V CB -1.295 30.302 31.823 -0.376 0.000 0.658 655 V HN 0.288 nan 8.190 nan 0.000 0.455 656 S N 0.046 115.643 115.700 -0.172 0.000 2.383 656 S HA -0.179 4.291 4.470 0.001 0.000 0.229 656 S C 1.965 176.529 174.600 -0.060 0.000 1.030 656 S CA 1.724 59.859 58.200 -0.109 0.000 1.002 656 S CB -0.572 62.583 63.200 -0.076 0.000 0.829 656 S HN 0.500 nan 8.310 nan 0.000 0.467 657 I N 2.503 123.040 120.570 -0.055 0.000 2.226 657 I HA -0.121 4.049 4.170 0.001 0.000 0.245 657 I C 2.516 178.641 176.117 0.013 0.000 1.100 657 I CA 1.621 62.907 61.300 -0.023 0.000 1.374 657 I CB -2.086 35.900 38.000 -0.024 0.000 1.057 657 I HN 0.386 nan 8.210 nan 0.000 0.413 658 T N 1.114 115.673 114.554 0.008 0.000 2.951 658 T HA 0.044 4.395 4.350 0.001 0.000 0.268 658 T C 2.042 176.865 174.700 0.205 0.000 1.073 658 T CA 1.087 63.250 62.100 0.105 0.000 1.134 658 T CB -0.120 68.806 68.868 0.097 0.000 0.884 658 T HN 0.424 nan 8.240 nan 0.000 0.479 659 A N 1.110 124.000 122.820 0.116 0.000 1.930 659 A HA 0.001 4.322 4.320 0.001 0.000 0.217 659 A C 2.508 180.251 177.584 0.266 0.000 1.175 659 A CA 0.994 53.194 52.037 0.270 0.000 0.627 659 A CB -0.881 18.171 19.000 0.087 0.000 0.815 659 A HN 0.354 nan 8.150 nan 0.000 0.443 660 V N -0.048 119.945 119.914 0.131 0.000 2.407 660 V HA -0.176 3.945 4.120 0.001 0.000 0.248 660 V C 2.752 178.897 176.094 0.085 0.000 1.055 660 V CA 1.854 64.204 62.300 0.083 0.000 1.049 660 V CB -1.330 30.492 31.823 -0.002 0.000 0.662 660 V HN 0.608 nan 8.190 nan 0.000 0.455 661 G N -0.994 107.871 108.800 0.107 0.000 2.443 661 G HA2 -0.289 3.672 3.960 0.001 0.000 0.219 661 G HA3 -0.289 3.672 3.960 0.001 0.000 0.219 661 G C 1.505 176.454 174.900 0.082 0.000 1.131 661 G CA 0.747 45.895 45.100 0.079 0.000 0.775 661 G HN 0.503 nan 8.290 nan 0.000 0.547 662 F N 1.421 121.410 119.950 0.065 0.000 2.134 662 F HA 0.003 4.531 4.527 0.002 0.000 0.299 662 F C 2.394 178.200 175.800 0.010 0.000 1.097 662 F CA 1.119 59.143 58.000 0.040 0.000 1.264 662 F CB -0.126 38.992 39.000 0.198 0.000 1.001 662 F HN 0.106 nan 8.300 nan 0.000 0.479 663 I N 0.245 120.849 120.570 0.057 0.000 2.226 663 I HA -0.300 3.871 4.170 0.001 0.000 0.245 663 I C 2.701 178.678 176.117 -0.234 0.000 1.100 663 I CA 1.144 62.428 61.300 -0.027 0.000 1.374 663 I CB -0.974 37.111 38.000 0.141 0.000 1.057 663 I HN 0.246 nan 8.210 nan 0.000 0.413 664 A N 0.440 123.148 122.820 -0.185 0.000 1.908 664 A HA -0.253 4.068 4.320 0.001 0.000 0.218 664 A C 2.042 179.446 177.584 -0.301 0.000 1.181 664 A CA 2.069 53.971 52.037 -0.224 0.000 0.627 664 A CB -0.589 18.326 19.000 -0.141 0.000 0.818 664 A HN 0.358 nan 8.150 nan 0.000 0.445 665 D N 0.108 120.310 120.400 -0.330 0.000 2.097 665 D HA -0.140 4.501 4.640 0.001 0.000 0.197 665 D C 2.001 178.033 176.300 -0.445 0.000 0.984 665 D CA 1.883 55.659 54.000 -0.374 0.000 0.826 665 D CB -0.366 40.195 40.800 -0.399 0.000 0.973 665 D HN 0.697 nan 8.370 nan 0.000 0.460 666 I N -0.098 120.110 120.570 -0.602 0.000 2.546 666 I HA -0.156 4.015 4.170 0.001 0.000 0.255 666 I C 2.379 178.234 176.117 -0.437 0.000 1.163 666 I CA 1.139 62.161 61.300 -0.463 0.000 1.457 666 I CB -0.446 37.296 38.000 -0.430 0.000 1.092 666 I HN -0.149 nan 8.210 nan 0.000 0.434 667 S N 1.887 117.115 115.700 -0.787 0.000 2.382 667 S HA -0.192 4.279 4.470 0.001 0.000 0.228 667 S C 1.560 175.839 174.600 -0.536 0.000 1.027 667 S CA 1.782 59.231 58.200 -1.252 0.000 0.991 667 S CB -1.062 61.414 63.200 -1.207 0.000 0.823 667 S HN 0.684 nan 8.310 nan 0.000 0.469 668 N N 1.784 120.265 118.700 -0.365 0.000 2.220 668 N HA -0.010 4.731 4.740 0.001 0.000 0.182 668 N C 2.086 177.505 175.510 -0.151 0.000 1.023 668 N CA 1.249 54.168 53.050 -0.218 0.000 0.856 668 N CB -0.269 38.104 38.487 -0.190 0.000 0.997 668 N HN 0.659 nan 8.380 nan 0.000 0.429 669 S N 0.823 116.425 115.700 -0.163 0.000 2.414 669 S HA 0.043 4.514 4.470 0.001 0.000 0.227 669 S C 1.633 176.224 174.600 -0.014 0.000 1.022 669 S CA 0.580 58.723 58.200 -0.095 0.000 0.958 669 S CB -0.413 62.709 63.200 -0.130 0.000 0.797 669 S HN 0.199 nan 8.310 nan 0.000 0.493 670 L N 1.071 122.311 121.223 0.029 0.000 2.591 670 L HA 0.188 4.529 4.340 0.001 0.000 0.228 670 L C 2.428 179.381 176.870 0.139 0.000 1.133 670 L CA 0.042 54.965 54.840 0.138 0.000 0.880 670 L CB -0.444 41.781 42.059 0.277 0.000 1.033 670 L HN 0.182 nan 8.230 nan 0.000 0.450 671 E N 1.677 121.926 120.200 0.082 0.000 2.351 671 E HA -0.328 4.023 4.350 0.001 0.000 0.249 671 E C 1.909 178.597 176.600 0.146 0.000 1.062 671 E CA 2.527 58.984 56.400 0.095 0.000 1.066 671 E CB -0.212 29.508 29.700 0.033 0.000 0.955 671 E HN 0.651 nan 8.360 nan 0.000 0.504 672 E N 0.302 120.564 120.200 0.103 0.000 2.085 672 E HA -0.213 4.138 4.350 0.001 0.000 0.194 672 E C 1.474 178.137 176.600 0.105 0.000 0.994 672 E CA 1.664 58.120 56.400 0.093 0.000 0.801 672 E CB -0.577 29.159 29.700 0.060 0.000 0.743 672 E HN 0.257 nan 8.360 nan 0.000 0.453 673 D N 0.150 120.627 120.400 0.128 0.000 2.378 673 D HA -0.066 4.575 4.640 0.001 0.000 0.222 673 D C 1.399 177.819 176.300 0.201 0.000 0.980 673 D CA 0.340 54.418 54.000 0.130 0.000 0.907 673 D CB -0.502 40.407 40.800 0.181 0.000 0.899 673 D HN 0.191 nan 8.370 nan 0.000 0.527 674 F N 1.626 121.653 119.950 0.130 0.000 2.186 674 F HA -0.041 4.487 4.527 0.002 0.000 0.299 674 F C 2.083 177.958 175.800 0.126 0.000 1.090 674 F CA 0.991 59.110 58.000 0.199 0.000 1.307 674 F CB 0.052 39.130 39.000 0.129 0.000 1.019 674 F HN -0.226 nan 8.300 nan 0.000 0.489 675 R N 0.372 120.876 120.500 0.007 0.000 2.119 675 R HA -0.255 4.085 4.340 0.001 0.000 0.246 675 R C 2.312 178.474 176.300 -0.229 0.000 1.146 675 R CA 2.193 58.246 56.100 -0.079 0.000 0.962 675 R CB -0.541 29.767 30.300 0.013 0.000 0.863 675 R HN 0.426 nan 8.270 nan 0.000 0.442 676 R N -0.712 119.588 120.500 -0.332 0.000 2.237 676 R HA -0.129 4.212 4.340 0.001 0.000 0.219 676 R C 0.761 176.736 176.300 -0.542 0.000 1.080 676 R CA 1.459 57.292 56.100 -0.444 0.000 0.995 676 R CB -0.171 29.801 30.300 -0.546 0.000 0.875 676 R HN 0.299 nan 8.270 nan 0.000 0.462 677 Y N 0.808 120.939 120.300 -0.282 0.000 2.449 677 Y HA 0.206 4.757 4.550 0.001 0.000 0.254 677 Y C 2.434 178.091 175.900 -0.405 0.000 1.140 677 Y CA 0.129 58.050 58.100 -0.298 0.000 1.272 677 Y CB 0.460 38.756 38.460 -0.274 0.000 1.114 677 Y HN 0.201 nan 8.280 nan 0.000 0.525 678 S N -0.267 115.171 115.700 -0.437 0.000 2.382 678 S HA -0.226 4.245 4.470 0.001 0.000 0.228 678 S C 1.697 176.226 174.600 -0.120 0.000 1.027 678 S CA 1.670 59.653 58.200 -0.362 0.000 0.991 678 S CB -0.419 62.652 63.200 -0.214 0.000 0.823 678 S HN 0.462 nan 8.310 nan 0.000 0.469 679 D N 2.207 122.582 120.400 -0.042 0.000 2.097 679 D HA 0.055 4.696 4.640 0.001 0.000 0.197 679 D C 2.120 178.455 176.300 0.057 0.000 0.984 679 D CA 1.415 55.449 54.000 0.056 0.000 0.826 679 D CB -0.607 40.283 40.800 0.149 0.000 0.973 679 D HN 0.435 nan 8.370 nan 0.000 0.460 680 A N 0.348 123.202 122.820 0.056 0.000 1.908 680 A HA -0.185 4.136 4.320 0.001 0.000 0.218 680 A C 2.217 179.851 177.584 0.082 0.000 1.181 680 A CA 1.770 53.852 52.037 0.075 0.000 0.627 680 A CB -0.586 18.468 19.000 0.091 0.000 0.818 680 A HN 0.265 nan 8.150 nan 0.000 0.445 681 M N -1.058 118.590 119.600 0.080 0.000 2.086 681 M HA -0.124 4.357 4.480 0.001 0.000 0.261 681 M C 2.259 178.631 176.300 0.119 0.000 1.067 681 M CA 1.402 56.778 55.300 0.126 0.000 1.116 681 M CB -1.222 31.499 32.600 0.202 0.000 1.348 681 M HN 0.350 nan 8.290 nan 0.000 0.407 682 M N 0.261 119.897 119.600 0.060 0.000 2.108 682 M HA -0.193 4.288 4.480 0.001 0.000 0.261 682 M C 1.790 178.155 176.300 0.110 0.000 1.066 682 M CA 1.447 56.776 55.300 0.047 0.000 1.107 682 M CB -1.793 30.613 32.600 -0.323 0.000 1.356 682 M HN 0.279 nan 8.290 nan 0.000 0.406 683 N N 0.551 119.310 118.700 0.098 0.000 2.043 683 N HA -0.112 4.629 4.740 0.001 0.000 0.193 683 N C 1.941 177.510 175.510 0.098 0.000 1.037 683 N CA 1.291 54.404 53.050 0.104 0.000 0.851 683 N CB -0.703 37.839 38.487 0.092 0.000 1.027 683 N HN 0.177 nan 8.380 nan 0.000 0.422 684 V N 1.856 121.825 119.914 0.091 0.000 2.255 684 V HA -0.196 3.925 4.120 0.001 0.000 0.247 684 V C 2.429 178.576 176.094 0.088 0.000 1.051 684 V CA 1.316 63.664 62.300 0.080 0.000 1.018 684 V CB -0.653 31.215 31.823 0.075 0.000 0.641 684 V HN 0.226 nan 8.190 nan 0.000 0.445 685 L N 0.136 121.426 121.223 0.112 0.000 2.079 685 L HA -0.184 4.157 4.340 0.001 0.000 0.210 685 L C 2.724 179.698 176.870 0.173 0.000 1.081 685 L CA 1.572 56.477 54.840 0.108 0.000 0.752 685 L CB -0.867 41.247 42.059 0.092 0.000 0.896 685 L HN 0.363 nan 8.230 nan 0.000 0.433 686 A N -0.315 122.633 122.820 0.212 0.000 1.877 686 A HA -0.260 4.061 4.320 0.001 0.000 0.216 686 A C 2.244 179.900 177.584 0.120 0.000 1.186 686 A CA 1.689 53.839 52.037 0.189 0.000 0.620 686 A CB -0.501 18.586 19.000 0.144 0.000 0.822 686 A HN 0.459 nan 8.150 nan 0.000 0.443 687 Q N -0.894 118.961 119.800 0.092 0.000 2.002 687 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 687 Q C 2.250 178.283 176.000 0.054 0.000 0.988 687 Q CA 2.011 57.852 55.803 0.064 0.000 0.843 687 Q CB -0.355 28.415 28.738 0.053 0.000 0.908 687 Q HN 0.705 nan 8.270 nan 0.000 0.420 688 M N 0.102 119.732 119.600 0.050 0.000 2.088 688 M HA -0.237 4.244 4.480 0.001 0.000 0.256 688 M C 2.221 178.542 176.300 0.035 0.000 1.071 688 M CA 1.550 56.868 55.300 0.031 0.000 1.097 688 M CB -0.359 32.252 32.600 0.019 0.000 1.315 688 M HN 0.260 nan 8.290 nan 0.000 0.406 689 I N -0.035 120.569 120.570 0.056 0.000 3.176 689 I HA -0.173 3.998 4.170 0.001 0.000 0.275 689 I C 2.224 178.381 176.117 0.066 0.000 1.298 689 I CA 1.029 62.367 61.300 0.064 0.000 1.445 689 I CB 0.010 38.068 38.000 0.096 0.000 1.075 689 I HN 0.361 nan 8.210 nan 0.000 0.482 690 S N -0.090 115.647 115.700 0.061 0.000 2.478 690 S HA -0.010 4.461 4.470 0.001 0.000 0.222 690 S C 1.049 175.669 174.600 0.034 0.000 1.008 690 S CA -0.210 58.019 58.200 0.050 0.000 0.928 690 S CB -0.369 62.861 63.200 0.050 0.000 0.781 690 S HN 0.395 nan 8.310 nan 0.000 0.518 691 N N 3.473 122.190 118.700 0.029 0.000 2.440 691 N HA 0.180 4.921 4.740 0.001 0.000 0.265 691 N C -2.007 173.510 175.510 0.012 0.000 1.239 691 N CA -1.263 51.797 53.050 0.017 0.000 0.909 691 N CB 1.399 39.893 38.487 0.011 0.000 1.066 691 N HN 0.138 nan 8.380 nan 0.000 0.474 692 P HA 0.052 nan 4.420 nan 0.000 0.225 692 P C 0.218 177.515 177.300 -0.005 0.000 1.156 692 P CA 0.695 63.797 63.100 0.003 0.000 0.787 692 P CB 0.363 32.065 31.700 0.003 0.000 0.802 693 N N -0.089 118.607 118.700 -0.007 0.000 2.515 693 N HA 0.078 4.819 4.740 0.001 0.000 0.191 693 N C 0.449 175.949 175.510 -0.018 0.000 1.182 693 N CA 0.098 53.139 53.050 -0.014 0.000 0.879 693 N CB -0.559 37.919 38.487 -0.014 0.000 0.984 693 N HN 0.093 nan 8.380 nan 0.000 0.453 694 A N 0.685 123.498 122.820 -0.012 0.000 2.450 694 A HA 0.198 4.519 4.320 0.001 0.000 0.255 694 A C 0.753 178.324 177.584 -0.020 0.000 1.096 694 A CA -0.410 51.620 52.037 -0.012 0.000 0.778 694 A CB 0.443 19.444 19.000 0.002 0.000 1.031 694 A HN 0.175 nan 8.150 nan 0.000 0.494 695 R N 0.742 121.226 120.500 -0.027 0.000 2.679 695 R HA 0.039 4.380 4.340 0.001 0.000 0.268 695 R C 1.640 177.926 176.300 -0.023 0.000 1.044 695 R CA 0.278 56.357 56.100 -0.036 0.000 1.105 695 R CB 0.465 30.742 30.300 -0.037 0.000 0.989 695 R HN 0.924 nan 8.270 nan 0.000 0.447 696 R N 1.622 122.084 120.500 -0.062 0.000 2.152 696 R HA -0.150 4.191 4.340 0.001 0.000 0.232 696 R C 0.712 177.102 176.300 0.150 0.000 1.117 696 R CA 1.616 57.676 56.100 -0.067 0.000 0.981 696 R CB -0.106 29.936 30.300 -0.431 0.000 0.870 696 R HN 0.566 nan 8.270 nan 0.000 0.451 697 E N 0.958 121.219 120.200 0.101 0.000 2.347 697 E HA -0.079 4.272 4.350 0.001 0.000 0.196 697 E C 1.598 178.242 176.600 0.073 0.000 1.008 697 E CA 0.446 56.925 56.400 0.132 0.000 0.852 697 E CB -0.063 29.672 29.700 0.059 0.000 0.783 697 E HN 0.218 nan 8.360 nan 0.000 0.505 698 L N 1.195 122.445 121.223 0.045 0.000 2.027 698 L HA -0.158 4.183 4.340 0.001 0.000 0.206 698 L C 2.114 178.987 176.870 0.005 0.000 1.074 698 L CA 1.851 56.697 54.840 0.010 0.000 0.745 698 L CB -0.364 41.694 42.059 -0.002 0.000 0.898 698 L HN -0.027 nan 8.230 nan 0.000 0.433 699 K N -0.050 120.378 120.400 0.046 0.000 2.015 699 K HA -0.185 4.136 4.320 0.001 0.000 0.216 699 K C -0.674 175.913 176.600 -0.021 0.000 1.052 699 K CA 2.386 58.695 56.287 0.036 0.000 0.937 699 K CB -1.310 31.251 32.500 0.100 0.000 0.719 699 K HN 0.303 nan 8.250 nan 0.000 0.446 700 P HA -0.102 nan 4.420 nan 0.000 0.220 700 P C 0.880 178.125 177.300 -0.092 0.000 1.148 700 P CA 1.790 64.838 63.100 -0.087 0.000 0.803 700 P CB -0.053 31.577 31.700 -0.116 0.000 0.782 701 A N -0.036 122.740 122.820 -0.074 0.000 1.898 701 A HA -0.086 4.235 4.320 0.001 0.000 0.216 701 A C 2.415 179.903 177.584 -0.161 0.000 1.181 701 A CA 1.595 53.578 52.037 -0.089 0.000 0.620 701 A CB -1.561 17.406 19.000 -0.054 0.000 0.819 701 A HN 0.055 nan 8.150 nan 0.000 0.442 702 V N 0.191 119.984 119.914 -0.201 0.000 2.358 702 V HA -0.224 3.897 4.120 0.001 0.000 0.246 702 V C 2.548 178.265 176.094 -0.628 0.000 1.047 702 V CA 1.743 63.795 62.300 -0.414 0.000 1.035 702 V CB -0.786 30.828 31.823 -0.349 0.000 0.658 702 V HN 0.555 nan 8.190 nan 0.000 0.452 703 L N -0.168 120.878 121.223 -0.295 0.000 2.012 703 L HA -0.198 4.143 4.340 0.001 0.000 0.210 703 L C 2.667 179.469 176.870 -0.112 0.000 1.073 703 L CA 1.840 56.620 54.840 -0.100 0.000 0.748 703 L CB -0.713 41.313 42.059 -0.054 0.000 0.891 703 L HN 0.305 nan 8.230 nan 0.000 0.431 704 S N -0.744 114.866 115.700 -0.151 0.000 2.370 704 S HA -0.178 4.293 4.470 0.001 0.000 0.226 704 S C 1.884 176.413 174.600 -0.119 0.000 1.033 704 S CA 1.280 59.407 58.200 -0.121 0.000 1.011 704 S CB -0.237 62.900 63.200 -0.106 0.000 0.852 704 S HN 0.247 nan 8.310 nan 0.000 0.457 705 V N 1.077 120.881 119.914 -0.185 0.000 2.809 705 V HA -0.053 4.068 4.120 0.001 0.000 0.256 705 V C 1.592 177.646 176.094 -0.067 0.000 1.080 705 V CA 1.187 63.392 62.300 -0.158 0.000 1.102 705 V CB -0.679 31.038 31.823 -0.177 0.000 0.705 705 V HN 0.386 nan 8.190 nan 0.000 0.475 706 F N 1.335 121.275 119.950 -0.016 0.000 2.171 706 F HA -0.012 4.516 4.527 0.001 0.000 0.300 706 F C 2.381 178.094 175.800 -0.146 0.000 1.090 706 F CA 1.177 59.189 58.000 0.020 0.000 1.293 706 F CB -1.498 37.551 39.000 0.082 0.000 1.013 706 F HN 0.256 nan 8.300 nan 0.000 0.486 707 G N -0.230 108.590 108.800 0.033 0.000 2.421 707 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 707 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 707 G C 1.474 176.297 174.900 -0.129 0.000 1.171 707 G CA 1.045 46.090 45.100 -0.092 0.000 0.775 707 G HN 0.235 nan 8.290 nan 0.000 0.543 708 D N 0.691 121.025 120.400 -0.110 0.000 2.104 708 D HA -0.092 4.549 4.640 0.001 0.000 0.194 708 D C 2.565 178.771 176.300 -0.157 0.000 0.994 708 D CA 0.658 54.569 54.000 -0.147 0.000 0.830 708 D CB -0.166 40.529 40.800 -0.175 0.000 0.959 708 D HN 0.364 nan 8.370 nan 0.000 0.452 709 I N 1.322 121.844 120.570 -0.079 0.000 2.179 709 I HA -0.247 3.923 4.170 0.001 0.000 0.242 709 I C 2.598 178.706 176.117 -0.015 0.000 1.088 709 I CA 1.007 62.345 61.300 0.064 0.000 1.357 709 I CB -0.266 37.924 38.000 0.317 0.000 1.051 709 I HN -0.084 nan 8.210 nan 0.000 0.409 710 A N -0.183 122.411 122.820 -0.377 0.000 1.883 710 A HA -0.279 4.042 4.320 0.001 0.000 0.217 710 A C 2.491 179.930 177.584 -0.243 0.000 1.186 710 A CA 2.389 54.012 52.037 -0.690 0.000 0.624 710 A CB -0.969 17.281 19.000 -1.250 0.000 0.822 710 A HN 0.394 nan 8.150 nan 0.000 0.444 711 S N -0.228 115.363 115.700 -0.182 0.000 2.370 711 S HA -0.186 4.285 4.470 0.001 0.000 0.226 711 S C 1.941 176.510 174.600 -0.052 0.000 1.033 711 S CA 1.711 59.852 58.200 -0.099 0.000 1.011 711 S CB -0.515 62.624 63.200 -0.101 0.000 0.852 711 S HN 0.700 nan 8.310 nan 0.000 0.457 712 N N 1.166 119.841 118.700 -0.042 0.000 2.290 712 N HA 0.080 4.821 4.740 0.001 0.000 0.179 712 N C 1.777 177.356 175.510 0.115 0.000 1.016 712 N CA 1.402 54.461 53.050 0.015 0.000 0.871 712 N CB -0.263 38.192 38.487 -0.054 0.000 0.987 712 N HN 0.699 nan 8.380 nan 0.000 0.431 713 I N -2.333 118.342 120.570 0.175 0.000 3.793 713 I HA 0.289 4.459 4.170 0.001 0.000 0.315 713 I C 1.305 177.530 176.117 0.180 0.000 1.275 713 I CA 0.135 61.565 61.300 0.218 0.000 1.214 713 I CB -0.254 37.925 38.000 0.298 0.000 1.018 713 I HN -0.020 nan 8.210 nan 0.000 0.439 714 G N 2.362 111.242 108.800 0.134 0.000 2.651 714 G HA2 -0.485 3.476 3.960 0.001 0.000 0.315 714 G HA3 -0.485 3.476 3.960 0.001 0.000 0.315 714 G C 1.119 176.132 174.900 0.189 0.000 1.258 714 G CA 1.287 46.463 45.100 0.126 0.000 1.002 714 G HN 0.736 nan 8.290 nan 0.000 0.551 715 A N -0.820 122.095 122.820 0.159 0.000 2.070 715 A HA 0.064 4.385 4.320 0.001 0.000 0.220 715 A C 1.936 179.634 177.584 0.191 0.000 1.159 715 A CA 2.395 54.530 52.037 0.164 0.000 0.656 715 A CB -0.525 18.543 19.000 0.113 0.000 0.800 715 A HN 0.626 nan 8.150 nan 0.000 0.453 716 D N -1.387 119.135 120.400 0.203 0.000 2.311 716 D HA -0.122 4.519 4.640 0.001 0.000 0.212 716 D C 1.210 177.714 176.300 0.340 0.000 0.972 716 D CA 0.783 54.916 54.000 0.222 0.000 0.887 716 D CB -0.302 40.625 40.800 0.212 0.000 0.915 716 D HN 0.545 nan 8.370 nan 0.000 0.497 717 F N 0.633 120.710 119.950 0.212 0.000 2.615 717 F HA -0.034 4.494 4.527 0.002 0.000 0.297 717 F C 1.863 177.817 175.800 0.258 0.000 1.124 717 F CA 0.191 58.365 58.000 0.290 0.000 1.451 717 F CB 0.159 39.265 39.000 0.177 0.000 1.103 717 F HN -0.150 nan 8.300 nan 0.000 0.569 718 I N 1.562 122.270 120.570 0.230 0.000 2.145 718 I HA -0.243 3.928 4.170 0.001 0.000 0.244 718 I C -0.328 175.756 176.117 -0.056 0.000 1.075 718 I CA 1.600 62.969 61.300 0.115 0.000 1.332 718 I CB -2.816 35.249 38.000 0.109 0.000 1.033 718 I HN 0.090 nan 8.210 nan 0.000 0.410 719 P HA -0.156 nan 4.420 nan 0.000 0.221 719 P C 1.270 178.265 177.300 -0.509 0.000 1.145 719 P CA 1.441 64.319 63.100 -0.371 0.000 0.795 719 P CB -0.151 31.230 31.700 -0.531 0.000 0.775 720 Y N -2.256 117.818 120.300 -0.377 0.000 2.500 720 Y HA 0.127 4.678 4.550 0.001 0.000 0.270 720 Y C 2.000 177.589 175.900 -0.518 0.000 1.134 720 Y CA -0.275 57.509 58.100 -0.527 0.000 1.293 720 Y CB -0.780 37.163 38.460 -0.862 0.000 1.063 720 Y HN -0.131 nan 8.280 nan 0.000 0.534 721 L N 0.863 121.934 121.223 -0.253 0.000 2.046 721 L HA -0.216 4.125 4.340 0.001 0.000 0.208 721 L C 2.125 178.913 176.870 -0.136 0.000 1.077 721 L CA 1.808 56.588 54.840 -0.101 0.000 0.747 721 L CB -0.819 41.290 42.059 0.084 0.000 0.896 721 L HN 0.304 nan 8.230 nan 0.000 0.432 722 N N -0.710 117.963 118.700 -0.045 0.000 2.084 722 N HA -0.223 4.518 4.740 0.001 0.000 0.190 722 N C 1.353 176.846 175.510 -0.029 0.000 1.030 722 N CA 1.735 54.804 53.050 0.032 0.000 0.849 722 N CB -0.050 38.502 38.487 0.109 0.000 1.012 722 N HN 0.430 nan 8.380 nan 0.000 0.423 723 D N 0.806 121.168 120.400 -0.063 0.000 2.117 723 D HA -0.109 4.532 4.640 0.001 0.000 0.197 723 D C 2.018 178.243 176.300 -0.124 0.000 0.987 723 D CA 0.548 54.505 54.000 -0.070 0.000 0.829 723 D CB -0.195 40.563 40.800 -0.070 0.000 0.961 723 D HN 0.299 nan 8.370 nan 0.000 0.460 724 I N 0.907 121.350 120.570 -0.212 0.000 2.226 724 I HA -0.173 3.998 4.170 0.001 0.000 0.245 724 I C 2.303 178.340 176.117 -0.132 0.000 1.100 724 I CA 0.835 61.959 61.300 -0.294 0.000 1.374 724 I CB -0.821 36.971 38.000 -0.348 0.000 1.057 724 I HN 0.046 nan 8.210 nan 0.000 0.413 725 M N 0.169 119.690 119.600 -0.132 0.000 2.159 725 M HA -0.117 4.363 4.480 0.001 0.000 0.263 725 M C 2.444 178.747 176.300 0.005 0.000 1.063 725 M CA 1.612 56.851 55.300 -0.103 0.000 1.110 725 M CB -1.287 31.048 32.600 -0.441 0.000 1.374 725 M HN 0.260 nan 8.290 nan 0.000 0.411 726 A N 0.452 123.277 122.820 0.007 0.000 1.908 726 A HA -0.144 4.177 4.320 0.001 0.000 0.218 726 A C 2.292 179.901 177.584 0.042 0.000 1.181 726 A CA 1.321 53.386 52.037 0.046 0.000 0.627 726 A CB -0.905 18.118 19.000 0.040 0.000 0.818 726 A HN 0.462 nan 8.150 nan 0.000 0.445 727 L N -0.961 120.275 121.223 0.021 0.000 2.046 727 L HA -0.250 4.091 4.340 0.001 0.000 0.208 727 L C 2.742 179.635 176.870 0.037 0.000 1.077 727 L CA 1.349 56.215 54.840 0.042 0.000 0.747 727 L CB -0.605 41.490 42.059 0.061 0.000 0.896 727 L HN 0.510 nan 8.230 nan 0.000 0.432 728 C N -1.240 118.071 119.300 0.018 0.000 2.446 728 C HA -0.104 4.357 4.460 0.001 0.000 0.277 728 C C 2.802 177.808 174.990 0.027 0.000 1.275 728 C CA 0.321 59.315 59.018 -0.041 0.000 1.727 728 C CB -0.388 27.302 27.740 -0.083 0.000 2.010 728 C HN 0.328 nan 8.230 nan 0.000 0.486 729 V N 1.518 121.496 119.914 0.106 0.000 2.295 729 V HA -0.222 3.899 4.120 0.001 0.000 0.246 729 V C 2.744 178.892 176.094 0.088 0.000 1.049 729 V CA 2.253 64.630 62.300 0.129 0.000 1.024 729 V CB -1.379 30.523 31.823 0.132 0.000 0.648 729 V HN 0.589 nan 8.190 nan 0.000 0.447 730 A N 0.188 123.050 122.820 0.069 0.000 1.873 730 A HA -0.257 4.064 4.320 0.001 0.000 0.218 730 A C 2.445 180.061 177.584 0.053 0.000 1.193 730 A CA 2.712 54.783 52.037 0.058 0.000 0.629 730 A CB -1.023 18.009 19.000 0.052 0.000 0.826 730 A HN 0.621 nan 8.150 nan 0.000 0.447 731 A N 0.094 122.937 122.820 0.040 0.000 1.902 731 A HA -0.237 4.084 4.320 0.001 0.000 0.217 731 A C 2.226 179.833 177.584 0.038 0.000 1.181 731 A CA 1.939 53.990 52.037 0.024 0.000 0.623 731 A CB -0.743 18.248 19.000 -0.015 0.000 0.818 731 A HN 0.824 nan 8.150 nan 0.000 0.443 732 Q N -1.241 118.600 119.800 0.067 0.000 2.291 732 Q HA -0.084 4.257 4.340 0.001 0.000 0.205 732 Q C 0.659 176.726 176.000 0.112 0.000 0.970 732 Q CA 1.388 57.281 55.803 0.150 0.000 0.876 732 Q CB -0.295 28.620 28.738 0.296 0.000 0.935 732 Q HN 0.502 nan 8.270 nan 0.000 0.455 733 N N 0.657 119.407 118.700 0.084 0.000 2.280 733 N HA 0.059 4.800 4.740 0.001 0.000 0.192 733 N C -0.575 174.962 175.510 0.046 0.000 1.109 733 N CA 0.302 53.388 53.050 0.061 0.000 0.855 733 N CB 0.731 39.255 38.487 0.061 0.000 0.974 733 N HN 0.136 nan 8.380 nan 0.000 0.482 734 T N 2.265 116.848 114.554 0.047 0.000 2.761 734 T HA 0.150 4.501 4.350 0.001 0.000 0.296 734 T C 0.616 175.340 174.700 0.040 0.000 0.934 734 T CA -0.297 61.830 62.100 0.045 0.000 1.091 734 T CB 1.097 69.999 68.868 0.055 0.000 0.896 734 T HN -0.136 nan 8.240 nan 0.000 0.515 735 K N 3.632 124.052 120.400 0.034 0.000 2.219 735 K HA 0.291 4.612 4.320 0.001 0.000 0.258 735 K C -2.312 174.313 176.600 0.042 0.000 1.008 735 K CA -2.308 53.996 56.287 0.028 0.000 0.928 735 K CB -0.191 32.321 32.500 0.019 0.000 0.983 735 K HN 0.303 nan 8.250 nan 0.000 0.484 736 P HA 0.001 nan 4.420 nan 0.000 0.266 736 P C 0.551 177.879 177.300 0.047 0.000 1.193 736 P CA 0.209 63.342 63.100 0.056 0.000 0.770 736 P CB 0.480 32.205 31.700 0.040 0.000 0.836 737 E N 0.667 120.899 120.200 0.054 0.000 2.077 737 E HA -0.142 4.209 4.350 0.001 0.000 0.193 737 E C 0.359 176.969 176.600 0.015 0.000 0.989 737 E CA 1.190 57.605 56.400 0.025 0.000 0.800 737 E CB 0.024 29.730 29.700 0.011 0.000 0.746 737 E HN 0.507 nan 8.360 nan 0.000 0.452 738 N N -1.746 116.968 118.700 0.022 0.000 2.890 738 N HA 0.196 4.937 4.740 0.001 0.000 0.317 738 N C 0.438 175.962 175.510 0.022 0.000 1.355 738 N CA -0.180 52.883 53.050 0.021 0.000 0.803 738 N CB 0.746 39.245 38.487 0.019 0.000 1.465 738 N HN 0.027 nan 8.380 nan 0.000 0.591 739 G N -1.000 107.812 108.800 0.020 0.000 3.141 739 G HA2 -0.011 3.950 3.960 0.001 0.000 0.218 739 G HA3 -0.011 3.950 3.960 0.001 0.000 0.218 739 G C 0.542 175.448 174.900 0.010 0.000 1.170 739 G CA 0.274 45.383 45.100 0.014 0.000 0.769 739 G HN 0.442 nan 8.290 nan 0.000 0.546 740 T N 0.051 114.614 114.554 0.015 0.000 2.788 740 T HA 0.190 4.541 4.350 0.001 0.000 0.287 740 T C 1.645 176.352 174.700 0.012 0.000 1.007 740 T CA -0.524 61.582 62.100 0.011 0.000 1.005 740 T CB 0.820 69.696 68.868 0.013 0.000 1.012 740 T HN -0.044 nan 8.240 nan 0.000 0.530 741 L N 2.088 123.315 121.223 0.006 0.000 2.017 741 L HA 0.044 4.385 4.340 0.001 0.000 0.208 741 L C 2.601 179.483 176.870 0.020 0.000 1.073 741 L CA 1.869 56.712 54.840 0.006 0.000 0.745 741 L CB -0.606 41.450 42.059 -0.004 0.000 0.894 741 L HN 0.779 nan 8.230 nan 0.000 0.432 742 E N -0.830 119.382 120.200 0.020 0.000 2.085 742 E HA -0.265 4.086 4.350 0.001 0.000 0.194 742 E C 2.049 178.689 176.600 0.066 0.000 0.994 742 E CA 1.293 57.712 56.400 0.031 0.000 0.801 742 E CB -0.186 29.519 29.700 0.008 0.000 0.743 742 E HN 0.636 nan 8.360 nan 0.000 0.453 743 A N 0.340 123.194 122.820 0.057 0.000 1.970 743 A HA -0.077 4.244 4.320 0.001 0.000 0.216 743 A C 2.029 179.678 177.584 0.108 0.000 1.170 743 A CA 0.574 52.665 52.037 0.089 0.000 0.645 743 A CB -0.223 18.809 19.000 0.053 0.000 0.816 743 A HN 0.092 nan 8.150 nan 0.000 0.447 744 L N 0.161 121.422 121.223 0.062 0.000 2.027 744 L HA -0.142 4.199 4.340 0.001 0.000 0.206 744 L C 1.745 178.638 176.870 0.039 0.000 1.074 744 L CA 1.986 56.850 54.840 0.040 0.000 0.745 744 L CB -0.497 41.572 42.059 0.017 0.000 0.898 744 L HN 0.290 nan 8.230 nan 0.000 0.433 745 D N -2.195 118.234 120.400 0.048 0.000 2.178 745 D HA -0.218 4.423 4.640 0.001 0.000 0.202 745 D C 1.973 178.308 176.300 0.059 0.000 0.974 745 D CA 0.860 54.884 54.000 0.039 0.000 0.841 745 D CB -0.144 40.679 40.800 0.038 0.000 0.953 745 D HN 0.327 nan 8.370 nan 0.000 0.478 746 Y N 1.534 121.830 120.300 -0.006 0.000 2.200 746 Y HA -0.180 4.371 4.550 0.002 0.000 0.290 746 Y C 2.316 178.217 175.900 0.001 0.000 1.137 746 Y CA 1.640 59.738 58.100 -0.005 0.000 1.163 746 Y CB -0.160 38.297 38.460 -0.006 0.000 0.988 746 Y HN -0.092 nan 8.280 nan 0.000 0.518 747 Q N 0.052 119.813 119.800 -0.065 0.000 2.084 747 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 747 Q C 2.092 178.012 176.000 -0.135 0.000 0.978 747 Q CA 1.895 57.627 55.803 -0.119 0.000 0.844 747 Q CB -0.144 28.593 28.738 -0.001 0.000 0.898 747 Q HN 0.523 nan 8.270 nan 0.000 0.426 748 I N 1.304 121.824 120.570 -0.084 0.000 2.208 748 I HA -0.284 3.887 4.170 0.001 0.000 0.245 748 I C 2.284 178.349 176.117 -0.086 0.000 1.097 748 I CA 1.336 62.599 61.300 -0.061 0.000 1.363 748 I CB -0.995 36.984 38.000 -0.036 0.000 1.051 748 I HN 0.203 nan 8.210 nan 0.000 0.413 749 K N 0.715 121.027 120.400 -0.147 0.000 2.057 749 K HA -0.105 4.216 4.320 0.001 0.000 0.207 749 K C 2.237 178.715 176.600 -0.204 0.000 1.049 749 K CA 0.956 57.147 56.287 -0.160 0.000 0.931 749 K CB -0.586 31.810 32.500 -0.174 0.000 0.714 749 K HN 0.221 nan 8.250 nan 0.000 0.440 750 V N 2.041 121.756 119.914 -0.332 0.000 2.295 750 V HA -0.234 3.886 4.120 0.001 0.000 0.246 750 V C 2.466 178.488 176.094 -0.120 0.000 1.049 750 V CA 1.547 63.687 62.300 -0.267 0.000 1.024 750 V CB -0.490 31.135 31.823 -0.330 0.000 0.648 750 V HN 0.208 nan 8.190 nan 0.000 0.447 751 L N -0.442 120.760 121.223 -0.034 0.000 2.093 751 L HA -0.171 4.170 4.340 0.001 0.000 0.208 751 L C 2.559 179.535 176.870 0.176 0.000 1.085 751 L CA 1.535 56.473 54.840 0.163 0.000 0.755 751 L CB -0.637 41.533 42.059 0.184 0.000 0.904 751 L HN 0.386 nan 8.230 nan 0.000 0.435 752 E N 0.250 120.486 120.200 0.060 0.000 2.110 752 E HA -0.201 4.150 4.350 0.001 0.000 0.193 752 E C 2.312 178.893 176.600 -0.032 0.000 0.988 752 E CA 1.115 57.545 56.400 0.049 0.000 0.804 752 E CB -0.131 29.577 29.700 0.013 0.000 0.745 752 E HN 0.500 nan 8.360 nan 0.000 0.458 753 A N 0.781 123.546 122.820 -0.092 0.000 1.930 753 A HA -0.110 4.211 4.320 0.001 0.000 0.217 753 A C 2.454 179.895 177.584 -0.239 0.000 1.175 753 A CA 0.883 52.837 52.037 -0.138 0.000 0.627 753 A CB -0.463 18.458 19.000 -0.132 0.000 0.815 753 A HN 0.106 nan 8.150 nan 0.000 0.443 754 V N -0.146 119.560 119.914 -0.345 0.000 2.343 754 V HA -0.230 3.891 4.120 0.001 0.000 0.247 754 V C 2.480 177.981 176.094 -0.988 0.000 1.051 754 V CA 1.898 63.755 62.300 -0.738 0.000 1.036 754 V CB -0.791 30.515 31.823 -0.862 0.000 0.654 754 V HN 0.597 nan 8.190 nan 0.000 0.451 755 L N 0.530 121.366 121.223 -0.644 0.000 2.012 755 L HA -0.199 4.142 4.340 0.001 0.000 0.210 755 L C 2.097 178.877 176.870 -0.150 0.000 1.073 755 L CA 2.129 56.810 54.840 -0.265 0.000 0.748 755 L CB -1.001 41.175 42.059 0.196 0.000 0.891 755 L HN 0.303 nan 8.230 nan 0.000 0.431 756 D N -0.181 120.138 120.400 -0.136 0.000 2.123 756 D HA -0.172 4.469 4.640 0.001 0.000 0.196 756 D C 2.187 178.421 176.300 -0.109 0.000 0.992 756 D CA 1.577 55.523 54.000 -0.091 0.000 0.833 756 D CB -0.206 40.541 40.800 -0.088 0.000 0.954 756 D HN 0.519 nan 8.370 nan 0.000 0.455 757 A N 0.227 122.933 122.820 -0.190 0.000 1.902 757 A HA -0.200 4.121 4.320 0.001 0.000 0.217 757 A C 2.015 179.567 177.584 -0.054 0.000 1.181 757 A CA 1.068 53.022 52.037 -0.139 0.000 0.623 757 A CB -0.914 17.973 19.000 -0.189 0.000 0.818 757 A HN 0.186 nan 8.150 nan 0.000 0.443 758 Y N -0.245 119.970 120.300 -0.141 0.000 2.242 758 Y HA -0.094 4.457 4.550 0.001 0.000 0.291 758 Y C 2.670 178.536 175.900 -0.056 0.000 1.137 758 Y CA 0.450 58.483 58.100 -0.111 0.000 1.181 758 Y CB -1.086 37.284 38.460 -0.150 0.000 0.989 758 Y HN 0.089 nan 8.280 nan 0.000 0.527 759 V N -0.393 119.586 119.914 0.108 0.000 2.295 759 V HA -0.260 3.861 4.120 0.001 0.000 0.246 759 V C 2.578 178.688 176.094 0.026 0.000 1.049 759 V CA 2.056 64.398 62.300 0.070 0.000 1.024 759 V CB -1.371 30.480 31.823 0.046 0.000 0.648 759 V HN 0.504 nan 8.190 nan 0.000 0.447 760 G N -0.536 108.252 108.800 -0.020 0.000 2.418 760 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 760 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 760 G C 1.593 176.436 174.900 -0.095 0.000 1.158 760 G CA 1.025 46.080 45.100 -0.074 0.000 0.771 760 G HN 0.486 nan 8.290 nan 0.000 0.545 761 I N 0.110 120.635 120.570 -0.074 0.000 2.286 761 I HA -0.104 4.067 4.170 0.001 0.000 0.245 761 I C 2.750 178.879 176.117 0.021 0.000 1.104 761 I CA 0.345 61.592 61.300 -0.087 0.000 1.397 761 I CB -0.089 37.904 38.000 -0.012 0.000 1.072 761 I HN 0.020 nan 8.210 nan 0.000 0.417 762 V N 1.039 120.994 119.914 0.069 0.000 2.343 762 V HA -0.295 3.826 4.120 0.001 0.000 0.247 762 V C 2.691 178.858 176.094 0.121 0.000 1.051 762 V CA 1.952 64.321 62.300 0.114 0.000 1.036 762 V CB -1.010 30.892 31.823 0.132 0.000 0.654 762 V HN 0.481 nan 8.190 nan 0.000 0.451 763 A N 0.661 123.526 122.820 0.076 0.000 1.865 763 A HA -0.139 4.181 4.320 0.001 0.000 0.217 763 A C 2.455 180.071 177.584 0.053 0.000 1.191 763 A CA 2.120 54.188 52.037 0.052 0.000 0.623 763 A CB -1.398 17.600 19.000 -0.003 0.000 0.826 763 A HN 0.526 nan 8.150 nan 0.000 0.444 764 G N -0.669 108.139 108.800 0.014 0.000 2.422 764 G HA2 -0.065 3.896 3.960 0.001 0.000 0.218 764 G HA3 -0.065 3.896 3.960 0.001 0.000 0.218 764 G C 1.171 176.123 174.900 0.086 0.000 1.146 764 G CA 0.974 46.087 45.100 0.022 0.000 0.769 764 G HN 0.442 nan 8.290 nan 0.000 0.547 765 L N 0.487 121.774 121.223 0.106 0.000 2.791 765 L HA 0.225 4.566 4.340 0.001 0.000 0.239 765 L C 1.864 178.808 176.870 0.123 0.000 1.203 765 L CA -0.284 54.632 54.840 0.128 0.000 1.002 765 L CB -0.227 41.920 42.059 0.146 0.000 1.295 765 L HN 0.311 nan 8.230 nan 0.000 0.504 766 H N 1.234 120.325 119.070 0.035 0.000 2.426 766 H HA -0.189 4.368 4.556 0.001 0.000 0.298 766 H C 0.592 175.914 175.328 -0.009 0.000 1.107 766 H CA 1.761 57.820 56.048 0.019 0.000 1.298 766 H CB 0.482 30.257 29.762 0.022 0.000 1.377 766 H HN 0.377 nan 8.280 nan 0.000 0.519 767 D N 0.049 120.480 120.400 0.052 0.000 2.349 767 D HA 0.062 4.703 4.640 0.001 0.000 0.214 767 D C 0.228 176.508 176.300 -0.033 0.000 1.063 767 D CA 0.288 54.282 54.000 -0.010 0.000 0.847 767 D CB 0.332 41.179 40.800 0.077 0.000 0.933 767 D HN 0.193 nan 8.370 nan 0.000 0.513 768 K N 1.164 121.553 120.400 -0.019 0.000 3.163 768 K HA 0.184 4.505 4.320 0.001 0.000 0.186 768 K C -2.017 174.582 176.600 -0.002 0.000 1.111 768 K CA -1.222 55.071 56.287 0.010 0.000 0.918 768 K CB 1.951 34.497 32.500 0.077 0.000 1.059 768 K HN 0.011 nan 8.250 nan 0.000 0.558 769 P HA -0.214 nan 4.420 nan 0.000 0.220 769 P C 1.113 178.500 177.300 0.145 0.000 1.148 769 P CA 1.234 64.172 63.100 -0.268 0.000 0.803 769 P CB 0.364 31.561 31.700 -0.838 0.000 0.782 770 E N 0.956 121.221 120.200 0.108 0.000 2.204 770 E HA -0.145 4.206 4.350 0.001 0.000 0.195 770 E C 1.852 178.601 176.600 0.249 0.000 0.990 770 E CA 1.516 58.025 56.400 0.181 0.000 0.821 770 E CB -1.124 28.622 29.700 0.077 0.000 0.750 770 E HN 0.198 nan 8.360 nan 0.000 0.477 771 A N 1.254 124.210 122.820 0.227 0.000 1.898 771 A HA 0.025 4.346 4.320 0.001 0.000 0.214 771 A C 2.224 180.039 177.584 0.384 0.000 1.183 771 A CA 1.034 53.228 52.037 0.263 0.000 0.622 771 A CB -0.514 18.616 19.000 0.216 0.000 0.824 771 A HN 0.261 nan 8.150 nan 0.000 0.444 772 L N -1.645 119.821 121.223 0.405 0.000 2.240 772 L HA 0.061 4.402 4.340 0.001 0.000 0.211 772 L C 2.029 179.197 176.870 0.497 0.000 1.106 772 L CA 1.285 56.418 54.840 0.488 0.000 0.793 772 L CB -0.668 41.654 42.059 0.437 0.000 0.927 772 L HN 0.422 nan 8.230 nan 0.000 0.446 773 F N 2.410 122.581 119.950 0.369 0.000 2.063 773 F HA -0.169 4.359 4.527 0.001 0.000 0.298 773 F C -0.539 175.228 175.800 -0.056 0.000 1.109 773 F CA 1.918 60.021 58.000 0.172 0.000 1.212 773 F CB -1.745 37.381 39.000 0.210 0.000 0.973 773 F HN 0.210 nan 8.300 nan 0.000 0.480 774 P HA -0.160 nan 4.420 nan 0.000 0.231 774 P C 0.364 177.263 177.300 -0.668 0.000 1.158 774 P CA 1.547 64.273 63.100 -0.624 0.000 0.763 774 P CB -0.455 30.881 31.700 -0.607 0.000 0.805 775 Y N -2.039 118.184 120.300 -0.128 0.000 2.467 775 Y HA 0.099 4.650 4.550 0.001 0.000 0.250 775 Y C 2.365 178.149 175.900 -0.193 0.000 1.155 775 Y CA -0.233 57.796 58.100 -0.118 0.000 1.249 775 Y CB -0.673 37.750 38.460 -0.062 0.000 1.146 775 Y HN -0.297 nan 8.280 nan 0.000 0.524 776 V N 0.156 119.976 119.914 -0.157 0.000 2.255 776 V HA -0.300 3.821 4.120 0.001 0.000 0.247 776 V C 2.550 178.422 176.094 -0.371 0.000 1.051 776 V CA 2.384 64.537 62.300 -0.245 0.000 1.018 776 V CB -1.172 30.426 31.823 -0.375 0.000 0.641 776 V HN 0.562 nan 8.190 nan 0.000 0.445 777 G N -0.681 107.879 108.800 -0.400 0.000 2.476 777 G HA2 -0.308 3.653 3.960 0.001 0.000 0.218 777 G HA3 -0.308 3.653 3.960 0.001 0.000 0.218 777 G C 1.686 176.572 174.900 -0.024 0.000 1.164 777 G CA 1.731 46.705 45.100 -0.210 0.000 0.768 777 G HN 0.469 nan 8.290 nan 0.000 0.560 778 T N 1.151 115.699 114.554 -0.011 0.000 2.720 778 T HA -0.077 4.274 4.350 0.001 0.000 0.268 778 T C 2.386 177.087 174.700 0.001 0.000 1.037 778 T CA 1.160 63.286 62.100 0.043 0.000 1.144 778 T CB -0.162 68.754 68.868 0.081 0.000 0.864 778 T HN 0.280 nan 8.240 nan 0.000 0.444 779 I N -0.238 120.224 120.570 -0.179 0.000 2.252 779 I HA -0.082 4.089 4.170 0.001 0.000 0.245 779 I C 1.949 178.024 176.117 -0.070 0.000 1.102 779 I CA 1.189 62.288 61.300 -0.335 0.000 1.385 779 I CB -0.335 37.362 38.000 -0.505 0.000 1.064 779 I HN 0.155 nan 8.210 nan 0.000 0.414 780 F N 0.886 120.759 119.950 -0.128 0.000 2.171 780 F HA -0.257 4.270 4.527 0.001 0.000 0.300 780 F C 2.727 178.606 175.800 0.131 0.000 1.090 780 F CA 1.607 59.611 58.000 0.007 0.000 1.293 780 F CB -0.346 38.537 39.000 -0.195 0.000 1.013 780 F HN 0.091 nan 8.300 nan 0.000 0.486 781 Q N -0.676 119.257 119.800 0.222 0.000 2.079 781 Q HA -0.241 4.100 4.340 0.001 0.000 0.200 781 Q C 2.268 178.298 176.000 0.050 0.000 0.974 781 Q CA 1.721 57.591 55.803 0.112 0.000 0.840 781 Q CB -0.381 28.427 28.738 0.118 0.000 0.898 781 Q HN 0.449 nan 8.270 nan 0.000 0.430 782 F N 0.979 120.953 119.950 0.040 0.000 2.095 782 F HA -0.222 4.305 4.527 0.002 0.000 0.298 782 F C 1.805 177.588 175.800 -0.028 0.000 1.104 782 F CA 1.443 59.478 58.000 0.059 0.000 1.232 782 F CB -0.183 38.981 39.000 0.274 0.000 0.987 782 F HN 0.036 nan 8.300 nan 0.000 0.475 783 I N 0.284 120.810 120.570 -0.072 0.000 2.286 783 I HA -0.305 3.866 4.170 0.001 0.000 0.248 783 I C 2.664 178.538 176.117 -0.406 0.000 1.115 783 I CA 1.122 62.320 61.300 -0.171 0.000 1.392 783 I CB -0.978 37.025 38.000 0.004 0.000 1.065 783 I HN 0.256 nan 8.210 nan 0.000 0.418 784 A N 0.270 122.713 122.820 -0.629 0.000 1.972 784 A HA -0.245 4.076 4.320 0.001 0.000 0.219 784 A C 2.262 179.404 177.584 -0.736 0.000 1.169 784 A CA 1.472 52.756 52.037 -1.255 0.000 0.635 784 A CB -0.521 17.620 19.000 -1.433 0.000 0.810 784 A HN 0.492 nan 8.150 nan 0.000 0.446 785 Q N -0.581 118.885 119.800 -0.557 0.000 2.119 785 Q HA -0.098 4.242 4.340 0.001 0.000 0.201 785 Q C 2.123 177.868 176.000 -0.424 0.000 0.972 785 Q CA 1.485 57.025 55.803 -0.440 0.000 0.847 785 Q CB -0.323 28.161 28.738 -0.423 0.000 0.903 785 Q HN 0.522 nan 8.270 nan 0.000 0.433 786 V N 0.969 120.552 119.914 -0.553 0.000 2.307 786 V HA -0.241 3.880 4.120 0.001 0.000 0.245 786 V C 2.236 178.168 176.094 -0.270 0.000 1.045 786 V CA 1.847 63.917 62.300 -0.383 0.000 1.024 786 V CB -0.850 30.749 31.823 -0.373 0.000 0.651 786 V HN 0.375 nan 8.190 nan 0.000 0.449 787 A N -0.647 121.830 122.820 -0.573 0.000 2.070 787 A HA -0.197 4.124 4.320 0.001 0.000 0.220 787 A C 2.125 179.553 177.584 -0.259 0.000 1.159 787 A CA 1.901 53.552 52.037 -0.643 0.000 0.656 787 A CB -0.327 18.267 19.000 -0.675 0.000 0.800 787 A HN 0.540 nan 8.150 nan 0.000 0.453 788 E N 0.091 120.195 120.200 -0.159 0.000 2.216 788 E HA 0.006 4.357 4.350 0.001 0.000 0.192 788 E C -0.163 176.535 176.600 0.163 0.000 0.973 788 E CA 0.388 56.759 56.400 -0.048 0.000 0.851 788 E CB 0.152 29.757 29.700 -0.158 0.000 0.804 788 E HN 0.409 nan 8.360 nan 0.000 0.477 789 D N -0.464 120.029 120.400 0.155 0.000 2.349 789 D HA 0.159 4.800 4.640 0.001 0.000 0.232 789 D C -2.074 174.207 176.300 -0.031 0.000 1.071 789 D CA -2.495 51.555 54.000 0.083 0.000 0.832 789 D CB 1.752 42.538 40.800 -0.024 0.000 1.086 789 D HN -0.145 nan 8.370 nan 0.000 0.504 790 P HA -0.102 nan 4.420 nan 0.000 0.220 790 P C 1.079 178.112 177.300 -0.444 0.000 1.148 790 P CA 1.048 63.634 63.100 -0.855 0.000 0.803 790 P CB 0.294 31.780 31.700 -0.356 0.000 0.782 791 Q N -1.091 118.591 119.800 -0.196 0.000 2.234 791 Q HA -0.132 4.209 4.340 0.001 0.000 0.206 791 Q C 1.838 177.787 176.000 -0.085 0.000 0.980 791 Q CA 1.044 56.783 55.803 -0.107 0.000 0.869 791 Q CB -0.437 28.265 28.738 -0.060 0.000 0.912 791 Q HN 0.341 nan 8.270 nan 0.000 0.436 792 L N -1.292 119.872 121.223 -0.099 0.000 2.276 792 L HA -0.052 4.289 4.340 0.001 0.000 0.194 792 L C 2.319 179.224 176.870 0.059 0.000 1.099 792 L CA 0.512 55.341 54.840 -0.017 0.000 0.800 792 L CB -0.575 41.466 42.059 -0.029 0.000 0.994 792 L HN 0.255 nan 8.230 nan 0.000 0.475 793 Y N -0.158 120.210 120.300 0.113 0.000 2.352 793 Y HA -0.131 4.420 4.550 0.001 0.000 0.292 793 Y C 2.576 178.696 175.900 0.366 0.000 1.136 793 Y CA 0.813 59.061 58.100 0.246 0.000 1.227 793 Y CB -1.364 37.276 38.460 0.299 0.000 0.991 793 Y HN 0.183 nan 8.280 nan 0.000 0.545 794 S N -0.873 114.785 115.700 -0.069 0.000 2.481 794 S HA -0.072 4.399 4.470 0.001 0.000 0.231 794 S C 0.512 175.232 174.600 0.200 0.000 0.996 794 S CA 0.208 58.449 58.200 0.068 0.000 0.942 794 S CB -0.450 62.654 63.200 -0.159 0.000 0.768 794 S HN 0.428 nan 8.310 nan 0.000 0.520 795 E N 2.184 122.498 120.200 0.190 0.000 2.180 795 E HA 0.134 4.484 4.350 0.001 0.000 0.283 795 E C 0.313 177.084 176.600 0.284 0.000 1.061 795 E CA -0.027 56.485 56.400 0.186 0.000 0.861 795 E CB 1.284 31.050 29.700 0.109 0.000 1.056 795 E HN 0.369 nan 8.360 nan 0.000 0.407 796 D N 3.896 124.484 120.400 0.313 0.000 2.133 796 D HA -0.226 4.415 4.640 0.001 0.000 0.192 796 D C 1.619 178.012 176.300 0.156 0.000 1.001 796 D CA 2.065 56.269 54.000 0.341 0.000 0.844 796 D CB 0.312 41.285 40.800 0.288 0.000 0.944 796 D HN 0.515 nan 8.370 nan 0.000 0.447 797 A N -0.948 121.946 122.820 0.123 0.000 1.930 797 A HA -0.106 4.215 4.320 0.001 0.000 0.217 797 A C 2.358 179.994 177.584 0.086 0.000 1.175 797 A CA 2.053 54.140 52.037 0.083 0.000 0.627 797 A CB -0.819 18.221 19.000 0.068 0.000 0.815 797 A HN 0.331 nan 8.150 nan 0.000 0.443 798 T N -0.394 114.226 114.554 0.110 0.000 2.737 798 T HA -0.083 4.268 4.350 0.001 0.000 0.265 798 T C 2.258 177.047 174.700 0.147 0.000 1.038 798 T CA 1.641 63.817 62.100 0.127 0.000 1.144 798 T CB -0.272 68.673 68.868 0.128 0.000 0.866 798 T HN 0.425 nan 8.240 nan 0.000 0.434 799 S N 0.533 116.312 115.700 0.133 0.000 2.383 799 S HA -0.036 4.435 4.470 0.001 0.000 0.227 799 S C 2.120 176.699 174.600 -0.034 0.000 1.026 799 S CA 0.849 59.092 58.200 0.072 0.000 0.981 799 S CB -0.176 62.911 63.200 -0.189 0.000 0.818 799 S HN 0.381 nan 8.310 nan 0.000 0.472 800 R N 1.017 121.490 120.500 -0.045 0.000 2.081 800 R HA -0.066 4.275 4.340 0.001 0.000 0.235 800 R C 2.319 178.644 176.300 0.042 0.000 1.131 800 R CA 1.369 57.454 56.100 -0.025 0.000 0.960 800 R CB -0.426 29.874 30.300 -0.001 0.000 0.856 800 R HN 0.373 nan 8.270 nan 0.000 0.436 801 A N 0.504 123.369 122.820 0.075 0.000 1.873 801 A HA -0.059 4.262 4.320 0.001 0.000 0.215 801 A C 2.322 179.991 177.584 0.143 0.000 1.186 801 A CA 1.584 53.682 52.037 0.103 0.000 0.616 801 A CB -0.748 18.314 19.000 0.104 0.000 0.823 801 A HN 0.524 nan 8.150 nan 0.000 0.442 802 A N -0.971 121.958 122.820 0.182 0.000 1.898 802 A HA 0.038 4.359 4.320 0.001 0.000 0.216 802 A C 2.286 179.999 177.584 0.214 0.000 1.181 802 A CA 1.633 53.810 52.037 0.233 0.000 0.620 802 A CB -0.934 18.237 19.000 0.286 0.000 0.819 802 A HN 0.623 nan 8.150 nan 0.000 0.442 803 V N -0.032 119.981 119.914 0.166 0.000 2.548 803 V HA -0.064 4.057 4.120 0.001 0.000 0.249 803 V C 2.456 178.615 176.094 0.108 0.000 1.055 803 V CA 2.067 64.409 62.300 0.069 0.000 1.065 803 V CB -0.735 31.000 31.823 -0.147 0.000 0.681 803 V HN 0.555 nan 8.190 nan 0.000 0.462 804 G N -0.420 108.463 108.800 0.139 0.000 2.422 804 G HA2 -0.232 3.728 3.960 0.001 0.000 0.218 804 G HA3 -0.232 3.728 3.960 0.001 0.000 0.218 804 G C 1.564 176.603 174.900 0.232 0.000 1.146 804 G CA 1.120 46.352 45.100 0.219 0.000 0.769 804 G HN 0.500 nan 8.290 nan 0.000 0.547 805 L N 0.011 121.331 121.223 0.162 0.000 2.046 805 L HA -0.042 4.299 4.340 0.001 0.000 0.208 805 L C 2.870 179.799 176.870 0.099 0.000 1.077 805 L CA 0.721 55.637 54.840 0.128 0.000 0.747 805 L CB -0.289 41.819 42.059 0.081 0.000 0.896 805 L HN 0.224 nan 8.230 nan 0.000 0.432 806 I N -0.498 120.106 120.570 0.056 0.000 2.208 806 I HA -0.253 3.918 4.170 0.001 0.000 0.245 806 I C 2.526 178.782 176.117 0.231 0.000 1.097 806 I CA 1.580 62.928 61.300 0.079 0.000 1.363 806 I CB -0.733 37.310 38.000 0.072 0.000 1.051 806 I HN 0.292 nan 8.210 nan 0.000 0.413 807 G N 0.210 109.075 108.800 0.109 0.000 2.394 807 G HA2 -0.194 3.767 3.960 0.001 0.000 0.214 807 G HA3 -0.194 3.767 3.960 0.001 0.000 0.214 807 G C 1.210 176.168 174.900 0.096 0.000 1.176 807 G CA 0.703 45.710 45.100 -0.155 0.000 0.786 807 G HN 0.272 nan 8.290 nan 0.000 0.533 808 D N 0.777 121.438 120.400 0.435 0.000 2.117 808 D HA -0.072 4.569 4.640 0.001 0.000 0.197 808 D C 2.478 178.974 176.300 0.326 0.000 0.987 808 D CA 0.487 54.768 54.000 0.468 0.000 0.829 808 D CB -0.213 40.816 40.800 0.382 0.000 0.961 808 D HN 0.362 nan 8.370 nan 0.000 0.460 809 I N 1.129 121.886 120.570 0.311 0.000 2.226 809 I HA -0.247 3.924 4.170 0.001 0.000 0.245 809 I C 2.458 178.834 176.117 0.432 0.000 1.100 809 I CA 0.912 62.448 61.300 0.392 0.000 1.374 809 I CB -0.219 38.020 38.000 0.399 0.000 1.057 809 I HN -0.071 nan 8.210 nan 0.000 0.413 810 A N 0.878 123.881 122.820 0.305 0.000 1.892 810 A HA -0.252 4.069 4.320 0.001 0.000 0.218 810 A C 2.511 180.111 177.584 0.026 0.000 1.188 810 A CA 2.173 54.217 52.037 0.011 0.000 0.631 810 A CB -0.944 17.856 19.000 -0.333 0.000 0.822 810 A HN 0.447 nan 8.150 nan 0.000 0.447 811 A N -1.146 121.705 122.820 0.052 0.000 2.067 811 A HA -0.004 4.316 4.320 0.001 0.000 0.219 811 A C 2.153 179.755 177.584 0.031 0.000 1.158 811 A CA 1.546 53.633 52.037 0.083 0.000 0.661 811 A CB -0.507 18.681 19.000 0.312 0.000 0.801 811 A HN 0.547 nan 8.150 nan 0.000 0.452 812 M N -1.918 117.688 119.600 0.011 0.000 2.394 812 M HA 0.044 4.525 4.480 0.001 0.000 0.264 812 M C -0.423 175.601 176.300 -0.459 0.000 1.073 812 M CA 0.986 56.123 55.300 -0.271 0.000 1.111 812 M CB 0.093 32.498 32.600 -0.325 0.000 1.401 812 M HN 0.387 nan 8.290 nan 0.000 0.448 813 F N -0.081 119.886 119.950 0.029 0.000 2.523 813 F HA 0.303 4.831 4.527 0.001 0.000 0.322 813 F C -1.744 174.047 175.800 -0.015 0.000 1.361 813 F CA -1.964 56.054 58.000 0.031 0.000 1.151 813 F CB 0.288 39.356 39.000 0.113 0.000 1.391 813 F HN -0.075 nan 8.300 nan 0.000 0.566 814 P HA -0.083 nan 4.420 nan 0.000 0.244 814 P C 0.150 177.467 177.300 0.027 0.000 1.211 814 P CA 0.853 63.966 63.100 0.022 0.000 0.760 814 P CB -0.103 31.595 31.700 -0.004 0.000 0.961 815 D N -2.187 118.252 120.400 0.065 0.000 2.349 815 D HA 0.211 4.852 4.640 0.001 0.000 0.214 815 D C 1.503 177.827 176.300 0.040 0.000 1.063 815 D CA 0.339 54.365 54.000 0.043 0.000 0.847 815 D CB -0.587 40.240 40.800 0.045 0.000 0.933 815 D HN 0.133 nan 8.370 nan 0.000 0.513 816 G N 0.118 108.949 108.800 0.051 0.000 2.179 816 G HA2 -0.389 3.572 3.960 0.001 0.000 0.260 816 G HA3 -0.389 3.572 3.960 0.001 0.000 0.260 816 G C 1.369 176.300 174.900 0.051 0.000 0.977 816 G CA 0.483 45.601 45.100 0.030 0.000 0.641 816 G HN 0.315 nan 8.290 nan 0.000 0.533 817 S N -0.127 115.627 115.700 0.089 0.000 2.419 817 S HA -0.055 4.416 4.470 0.001 0.000 0.235 817 S C 1.928 176.637 174.600 0.181 0.000 1.019 817 S CA 1.491 59.765 58.200 0.123 0.000 0.982 817 S CB -0.229 63.024 63.200 0.088 0.000 0.789 817 S HN 1.314 nan 8.310 nan 0.000 0.490 818 I N -1.226 119.432 120.570 0.146 0.000 3.966 818 I HA 0.320 4.491 4.170 0.001 0.000 0.324 818 I C 1.237 177.501 176.117 0.245 0.000 1.517 818 I CA -0.464 60.972 61.300 0.227 0.000 1.117 818 I CB 0.172 38.298 38.000 0.210 0.000 1.190 818 I HN 0.026 nan 8.210 nan 0.000 0.466 819 K N 1.614 122.073 120.400 0.097 0.000 2.209 819 K HA -0.170 4.151 4.320 0.001 0.000 0.204 819 K C 1.770 178.367 176.600 -0.005 0.000 1.048 819 K CA 1.432 57.769 56.287 0.084 0.000 0.940 819 K CB -0.358 32.142 32.500 0.000 0.000 0.729 819 K HN 0.559 nan 8.250 nan 0.000 0.451 820 Q N 0.915 120.595 119.800 -0.200 0.000 2.376 820 Q HA -0.182 4.159 4.340 0.001 0.000 0.211 820 Q C 1.242 176.886 176.000 -0.592 0.000 0.986 820 Q CA 1.452 57.011 55.803 -0.407 0.000 0.886 820 Q CB -0.522 27.903 28.738 -0.522 0.000 0.927 820 Q HN 0.507 nan 8.270 nan 0.000 0.457 821 F N -0.803 118.958 119.950 -0.317 0.000 2.569 821 F HA 0.116 4.644 4.527 0.001 0.000 0.295 821 F C 1.095 176.443 175.800 -0.754 0.000 1.115 821 F CA 0.231 57.789 58.000 -0.737 0.000 1.450 821 F CB -0.113 37.968 39.000 -1.532 0.000 1.107 821 F HN -0.033 nan 8.300 nan 0.000 0.563 822 Y N -0.765 119.412 120.300 -0.206 0.000 2.457 822 Y HA 0.287 4.838 4.550 0.001 0.000 0.263 822 Y C 2.072 177.882 175.900 -0.150 0.000 1.164 822 Y CA 0.069 58.079 58.100 -0.151 0.000 1.274 822 Y CB -0.111 38.300 38.460 -0.082 0.000 1.097 822 Y HN -0.013 nan 8.280 nan 0.000 0.523 823 G N -0.596 108.157 108.800 -0.077 0.000 3.337 823 G HA2 0.074 4.035 3.960 0.001 0.000 0.246 823 G HA3 0.074 4.035 3.960 0.001 0.000 0.246 823 G C 0.135 174.961 174.900 -0.124 0.000 1.131 823 G CA -0.277 44.775 45.100 -0.081 0.000 0.773 823 G HN 0.198 nan 8.290 nan 0.000 0.544 824 Q N 0.711 120.381 119.800 -0.216 0.000 2.288 824 Q HA 0.151 4.492 4.340 0.001 0.000 0.258 824 Q C 0.179 176.040 176.000 -0.231 0.000 0.957 824 Q CA -0.626 55.030 55.803 -0.245 0.000 0.919 824 Q CB 1.584 30.059 28.738 -0.439 0.000 1.185 824 Q HN 0.029 nan 8.270 nan 0.000 0.408 825 D N 3.017 123.366 120.400 -0.084 0.000 2.126 825 D HA -0.234 4.407 4.640 0.001 0.000 0.190 825 D C 1.677 177.981 176.300 0.006 0.000 1.001 825 D CA 1.549 55.539 54.000 -0.017 0.000 0.841 825 D CB -0.148 40.679 40.800 0.046 0.000 0.949 825 D HN 0.805 nan 8.370 nan 0.000 0.446 826 W N 1.104 122.419 121.300 0.025 0.000 2.342 826 W HA -0.149 4.512 4.660 0.002 0.000 0.297 826 W C 1.537 178.102 176.519 0.076 0.000 1.213 826 W CA 0.513 57.876 57.345 0.031 0.000 1.251 826 W CB -1.084 28.378 29.460 0.003 0.000 1.136 826 W HN -0.157 nan 8.180 nan 0.000 0.526 827 V N 2.372 121.796 119.914 -0.817 0.000 2.270 827 V HA -0.318 3.803 4.120 0.001 0.000 0.245 827 V C 2.620 178.606 176.094 -0.181 0.000 1.043 827 V CA 2.320 64.193 62.300 -0.712 0.000 1.014 827 V CB -0.891 30.443 31.823 -0.815 0.000 0.645 827 V HN 0.069 nan 8.190 nan 0.000 0.447 828 I N 0.270 120.752 120.570 -0.146 0.000 2.127 828 I HA -0.256 3.915 4.170 0.001 0.000 0.241 828 I C 2.298 178.418 176.117 0.004 0.000 1.075 828 I CA 1.814 63.083 61.300 -0.051 0.000 1.334 828 I CB -0.596 37.377 38.000 -0.045 0.000 1.040 828 I HN 0.291 nan 8.210 nan 0.000 0.405 829 D N -0.127 120.298 120.400 0.041 0.000 2.133 829 D HA -0.263 4.378 4.640 0.001 0.000 0.195 829 D C 1.962 178.338 176.300 0.126 0.000 0.997 829 D CA 1.502 55.553 54.000 0.085 0.000 0.840 829 D CB -0.453 40.415 40.800 0.114 0.000 0.947 829 D HN 0.380 nan 8.370 nan 0.000 0.452 830 Y N 1.148 121.470 120.300 0.038 0.000 2.200 830 Y HA -0.079 4.472 4.550 0.002 0.000 0.290 830 Y C 2.153 178.056 175.900 0.005 0.000 1.137 830 Y CA 0.897 59.019 58.100 0.038 0.000 1.163 830 Y CB -0.448 38.095 38.460 0.138 0.000 0.988 830 Y HN -0.071 nan 8.280 nan 0.000 0.518 831 I N 0.109 120.601 120.570 -0.131 0.000 2.163 831 I HA -0.360 3.811 4.170 0.001 0.000 0.243 831 I C 2.289 178.317 176.117 -0.149 0.000 1.085 831 I CA 1.774 62.953 61.300 -0.202 0.000 1.347 831 I CB -0.395 37.555 38.000 -0.084 0.000 1.044 831 I HN 0.141 nan 8.210 nan 0.000 0.408 832 K N 0.428 120.790 120.400 -0.064 0.000 2.057 832 K HA -0.142 4.178 4.320 0.001 0.000 0.207 832 K C 2.266 178.860 176.600 -0.010 0.000 1.049 832 K CA 1.275 57.547 56.287 -0.024 0.000 0.931 832 K CB -0.143 32.360 32.500 0.005 0.000 0.714 832 K HN 0.241 nan 8.250 nan 0.000 0.440 833 R N -0.004 120.493 120.500 -0.004 0.000 2.096 833 R HA -0.072 4.269 4.340 0.001 0.000 0.235 833 R C 2.193 178.550 176.300 0.095 0.000 1.127 833 R CA 1.652 57.791 56.100 0.065 0.000 0.968 833 R CB -0.383 29.974 30.300 0.095 0.000 0.861 833 R HN 0.236 nan 8.270 nan 0.000 0.440 834 T N 0.464 114.927 114.554 -0.152 0.000 2.857 834 T HA -0.082 4.269 4.350 0.001 0.000 0.266 834 T C 1.729 176.344 174.700 -0.142 0.000 1.048 834 T CA 1.004 62.883 62.100 -0.368 0.000 1.139 834 T CB -0.122 68.327 68.868 -0.699 0.000 0.874 834 T HN 0.084 nan 8.240 nan 0.000 0.455 835 R N 1.380 121.832 120.500 -0.079 0.000 2.189 835 R HA 0.156 4.497 4.340 0.001 0.000 0.218 835 R C 2.137 178.470 176.300 0.054 0.000 1.074 835 R CA 1.028 57.120 56.100 -0.012 0.000 0.991 835 R CB -0.531 29.756 30.300 -0.022 0.000 0.883 835 R HN 0.209 nan 8.270 nan 0.000 0.457 836 S N -1.201 114.552 115.700 0.089 0.000 2.499 836 S HA 0.282 4.753 4.470 0.001 0.000 0.225 836 S C 0.676 175.346 174.600 0.116 0.000 1.050 836 S CA 0.273 58.526 58.200 0.088 0.000 0.928 836 S CB 0.463 63.701 63.200 0.064 0.000 0.803 836 S HN 0.489 nan 8.310 nan 0.000 0.506 837 G N 1.341 110.278 108.800 0.229 0.000 2.361 837 G HA2 0.199 4.160 3.960 0.001 0.000 0.260 837 G HA3 0.199 4.160 3.960 0.001 0.000 0.260 837 G C 0.177 175.099 174.900 0.037 0.000 1.261 837 G CA -0.172 44.987 45.100 0.098 0.000 0.897 837 G HN 0.093 nan 8.290 nan 0.000 0.499 838 Q N 2.015 121.777 119.800 -0.063 0.000 2.246 838 Q HA 0.186 4.527 4.340 0.001 0.000 0.202 838 Q C 2.129 178.064 176.000 -0.109 0.000 0.883 838 Q CA -0.027 55.750 55.803 -0.044 0.000 0.952 838 Q CB 0.254 28.978 28.738 -0.023 0.000 1.078 838 Q HN 0.716 nan 8.270 nan 0.000 0.493 839 L N -0.502 120.563 121.223 -0.265 0.000 2.341 839 L HA 0.051 4.392 4.340 0.001 0.000 0.214 839 L C 0.160 176.906 176.870 -0.205 0.000 1.115 839 L CA 0.311 54.979 54.840 -0.287 0.000 0.820 839 L CB -0.071 41.735 42.059 -0.423 0.000 0.944 839 L HN 0.053 nan 8.230 nan 0.000 0.452 840 F N 0.670 120.631 119.950 0.019 0.000 2.412 840 F HA 0.131 4.658 4.527 0.001 0.000 0.348 840 F C 1.300 177.112 175.800 0.020 0.000 1.102 840 F CA -1.249 56.766 58.000 0.025 0.000 1.196 840 F CB 0.476 39.490 39.000 0.023 0.000 1.144 840 F HN -0.090 nan 8.300 nan 0.000 0.541 841 S N 1.495 117.335 115.700 0.234 0.000 2.606 841 S HA 0.052 4.523 4.470 0.001 0.000 0.257 841 S C 0.992 175.658 174.600 0.109 0.000 1.327 841 S CA -0.496 57.783 58.200 0.131 0.000 0.984 841 S CB 0.804 64.064 63.200 0.100 0.000 0.941 841 S HN 0.641 nan 8.310 nan 0.000 0.576 842 Q N 0.707 120.549 119.800 0.071 0.000 2.172 842 Q HA 0.122 4.463 4.340 0.001 0.000 0.200 842 Q C 2.144 178.169 176.000 0.041 0.000 0.964 842 Q CA 1.778 57.613 55.803 0.054 0.000 0.855 842 Q CB -1.032 27.730 28.738 0.040 0.000 0.918 842 Q HN 0.889 nan 8.270 nan 0.000 0.444 843 A N -0.803 122.040 122.820 0.037 0.000 1.902 843 A HA -0.177 4.143 4.320 0.001 0.000 0.217 843 A C 2.245 179.841 177.584 0.020 0.000 1.181 843 A CA 1.982 54.033 52.037 0.023 0.000 0.623 843 A CB -0.983 18.029 19.000 0.019 0.000 0.818 843 A HN 0.459 nan 8.150 nan 0.000 0.443 844 T N 0.172 114.741 114.554 0.025 0.000 2.708 844 T HA -0.129 4.222 4.350 0.001 0.000 0.266 844 T C 1.898 176.575 174.700 -0.038 0.000 1.037 844 T CA 1.703 63.791 62.100 -0.022 0.000 1.146 844 T CB -0.213 68.637 68.868 -0.030 0.000 0.865 844 T HN 0.558 nan 8.240 nan 0.000 0.435 845 K N 0.885 121.294 120.400 0.014 0.000 2.097 845 K HA -0.103 4.218 4.320 0.001 0.000 0.206 845 K C 2.056 178.669 176.600 0.022 0.000 1.049 845 K CA 1.289 57.586 56.287 0.017 0.000 0.933 845 K CB -0.156 32.375 32.500 0.052 0.000 0.717 845 K HN 0.270 nan 8.250 nan 0.000 0.442 846 D N 0.422 120.842 120.400 0.033 0.000 2.097 846 D HA -0.111 4.530 4.640 0.001 0.000 0.195 846 D C 1.900 178.251 176.300 0.086 0.000 0.989 846 D CA 1.401 55.431 54.000 0.050 0.000 0.827 846 D CB -0.385 40.435 40.800 0.033 0.000 0.966 846 D HN 0.134 nan 8.370 nan 0.000 0.456 847 T N 0.839 115.436 114.554 0.072 0.000 2.746 847 T HA -0.108 4.243 4.350 0.001 0.000 0.267 847 T C 2.009 176.794 174.700 0.143 0.000 1.039 847 T CA 1.438 63.619 62.100 0.135 0.000 1.142 847 T CB -0.271 68.646 68.868 0.081 0.000 0.866 847 T HN 0.192 nan 8.240 nan 0.000 0.444 848 A N 1.387 124.224 122.820 0.028 0.000 1.972 848 A HA -0.077 4.244 4.320 0.001 0.000 0.219 848 A C 2.280 179.873 177.584 0.016 0.000 1.169 848 A CA 1.745 53.764 52.037 -0.029 0.000 0.635 848 A CB -0.507 18.427 19.000 -0.111 0.000 0.810 848 A HN 0.398 nan 8.150 nan 0.000 0.446 849 R N -1.073 119.464 120.500 0.062 0.000 2.090 849 R HA -0.115 4.226 4.340 0.001 0.000 0.228 849 R C 2.084 178.460 176.300 0.126 0.000 1.110 849 R CA 1.345 57.489 56.100 0.073 0.000 0.973 849 R CB -0.429 29.916 30.300 0.075 0.000 0.869 849 R HN 0.823 nan 8.270 nan 0.000 0.440 850 W N 0.988 122.288 121.300 0.001 0.000 2.358 850 W HA -0.202 4.458 4.660 0.001 0.000 0.303 850 W C 1.438 177.974 176.519 0.028 0.000 1.208 850 W CA 1.493 58.846 57.345 0.014 0.000 1.274 850 W CB -0.305 29.165 29.460 0.016 0.000 1.138 850 W HN 0.229 nan 8.180 nan 0.000 0.515 851 A N 1.366 124.113 122.820 -0.120 0.000 1.877 851 A HA -0.246 4.075 4.320 0.001 0.000 0.216 851 A C 1.961 179.454 177.584 -0.152 0.000 1.186 851 A CA 2.254 54.167 52.037 -0.206 0.000 0.620 851 A CB -1.057 17.917 19.000 -0.042 0.000 0.822 851 A HN 0.295 nan 8.150 nan 0.000 0.443 852 R N 0.373 120.826 120.500 -0.079 0.000 2.096 852 R HA -0.162 4.179 4.340 0.001 0.000 0.240 852 R C 1.937 178.187 176.300 -0.082 0.000 1.139 852 R CA 2.264 58.331 56.100 -0.056 0.000 0.952 852 R CB -0.742 29.541 30.300 -0.028 0.000 0.854 852 R HN 0.719 nan 8.270 nan 0.000 0.436 853 E N -0.441 119.700 120.200 -0.098 0.000 2.049 853 E HA -0.252 4.099 4.350 0.001 0.000 0.198 853 E C 2.058 178.535 176.600 -0.204 0.000 1.007 853 E CA 1.514 57.847 56.400 -0.111 0.000 0.809 853 E CB -0.073 29.588 29.700 -0.065 0.000 0.749 853 E HN 0.364 nan 8.360 nan 0.000 0.450 854 Q N 0.233 119.808 119.800 -0.375 0.000 2.083 854 Q HA -0.161 4.180 4.340 0.001 0.000 0.198 854 Q C 2.140 177.946 176.000 -0.324 0.000 0.969 854 Q CA 1.016 56.555 55.803 -0.439 0.000 0.838 854 Q CB -0.378 27.935 28.738 -0.708 0.000 0.900 854 Q HN 0.323 nan 8.270 nan 0.000 0.436 855 Q N 1.365 121.058 119.800 -0.179 0.000 2.135 855 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 855 Q C 1.679 177.647 176.000 -0.054 0.000 0.981 855 Q CA 1.403 57.205 55.803 -0.003 0.000 0.856 855 Q CB 0.074 28.927 28.738 0.191 0.000 0.902 855 Q HN 0.305 nan 8.270 nan 0.000 0.425 856 K N -0.110 120.247 120.400 -0.071 0.000 2.057 856 K HA -0.091 4.230 4.320 0.001 0.000 0.206 856 K C 2.362 178.915 176.600 -0.079 0.000 1.050 856 K CA 1.040 57.292 56.287 -0.059 0.000 0.935 856 K CB -0.071 32.400 32.500 -0.047 0.000 0.715 856 K HN 0.175 nan 8.250 nan 0.000 0.439 857 R N 0.629 121.060 120.500 -0.115 0.000 2.105 857 R HA -0.125 4.216 4.340 0.001 0.000 0.239 857 R C 2.364 178.587 176.300 -0.128 0.000 1.135 857 R CA 1.166 57.197 56.100 -0.114 0.000 0.967 857 R CB -0.070 30.151 30.300 -0.131 0.000 0.861 857 R HN 0.222 nan 8.270 nan 0.000 0.442 858 Q N 0.467 120.148 119.800 -0.199 0.000 2.167 858 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 858 Q C 2.217 178.160 176.000 -0.094 0.000 0.970 858 Q CA 1.024 56.698 55.803 -0.216 0.000 0.855 858 Q CB -0.051 28.390 28.738 -0.494 0.000 0.911 858 Q HN 0.424 nan 8.270 nan 0.000 0.438 859 L N 0.852 122.039 121.223 -0.060 0.000 2.141 859 L HA -0.112 4.229 4.340 0.001 0.000 0.209 859 L C 1.868 178.717 176.870 -0.036 0.000 1.094 859 L CA 1.373 56.195 54.840 -0.031 0.000 0.763 859 L CB -0.384 41.662 42.059 -0.021 0.000 0.908 859 L HN 0.183 nan 8.230 nan 0.000 0.437 860 S N -0.741 114.934 115.700 -0.043 0.000 2.685 860 S HA 0.280 4.751 4.470 0.001 0.000 0.240 860 S C 0.347 174.926 174.600 -0.035 0.000 0.967 860 S CA -0.450 57.729 58.200 -0.035 0.000 1.009 860 S CB -0.471 62.710 63.200 -0.033 0.000 0.776 860 S HN 0.171 nan 8.310 nan 0.000 0.467 861 L N 0.000 121.201 121.223 -0.037 0.000 2.949 861 L HA 0.000 4.341 4.340 0.001 0.000 0.249 861 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 861 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 861 L HN 0.000 nan 8.230 nan 0.000 0.502