REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ea5_1_D 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 YMCESAXXXX XXXXXXXXNI LIAIVQGAQS TETSKAVRLA DATA SEQUENCE ALNALADSLI FIKNNMEREG ERNYLMQVVC EATQAEDIEV QAAAFGCLCK DATA SEQUENCE IMSKYYTFMK PYMEQALYAL TIATMKSPND KVASMTVEFW STICEEEIDI DATA SEQUENCE AYELAQFPQS PLQSYNFALS SIKDVVPNLL NLLTRQNEDP EDDDWNVSMS DATA SEQUENCE AGACLQLFAQ NCGNHILEPV LEFVEQNITA DNWRNREAAV MAFGSIMDGP DATA SEQUENCE DKVQRTYYVH QALPSILNLM NDQSLQVKET TAWCIGRIAD SVAESIDPQQ DATA SEQUENCE HLPGVVQACL IGLQDHPKVA TNCSWTIINL VEQLAEATPS PIYNFYPALV DATA SEQUENCE DGLIGAANRI DNEFNARASA FSALTTMVEY ATDTVAETSA SISTFVMDKL DATA SEQUENCE GQTMSVDENQ LTLEDAQSLQ ELQSNILTVL AAVIRKSPSS VEPVADMLMG DATA SEQUENCE LFFRLLEKKD SAFIEDDVFY AISALAASLG KGFEKYLETF SPYLLKALNQ DATA SEQUENCE VDSPVSITAV GFIADISNSL EEDFRRYSDA MMNVLAQMIS NPNARRELKP DATA SEQUENCE AVLSVFGDIA SNIGADFIPY LNDIMALCVA AQNTKPENGT LEALDYQIKV DATA SEQUENCE LEAVLDAYVG IVAGLHDKPE ALFPYVGTIF QFIAQVAEDP QLYSEDATSR DATA SEQUENCE AAVGLIGDIA AMFPDGSIKQ FYGQDWVIDY IKRTRSGQLF SQATKDTARW DATA SEQUENCE AREQQKRQLS L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.009 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.643 32.600 0.072 0.000 1.302 2 S N 1.612 117.327 115.700 0.026 0.000 2.687 2 S HA 0.504 4.972 4.470 -0.002 0.000 0.283 2 S C 0.652 175.274 174.600 0.036 0.000 1.170 2 S CA 0.106 58.313 58.200 0.012 0.000 1.008 2 S CB 1.561 64.770 63.200 0.014 0.000 1.026 2 S HN 0.775 nan 8.310 nan 0.000 0.541 3 T N 1.863 116.424 114.554 0.011 0.000 2.653 3 T HA -0.161 4.187 4.350 -0.002 0.000 0.268 3 T C 2.110 176.859 174.700 0.081 0.000 1.035 3 T CA 2.084 64.204 62.100 0.034 0.000 1.154 3 T CB -1.014 67.855 68.868 0.002 0.000 0.862 3 T HN 0.850 nan 8.240 nan 0.000 0.441 4 A N 1.316 124.166 122.820 0.049 0.000 1.898 4 A HA -0.112 4.207 4.320 -0.002 0.000 0.216 4 A C 2.194 179.807 177.584 0.048 0.000 1.181 4 A CA 1.635 53.696 52.037 0.040 0.000 0.620 4 A CB -0.506 18.507 19.000 0.021 0.000 0.819 4 A HN 0.600 nan 8.150 nan 0.000 0.442 5 E N -1.551 118.686 120.200 0.062 0.000 2.106 5 E HA -0.140 4.208 4.350 -0.002 0.000 0.192 5 E C 1.706 178.357 176.600 0.084 0.000 0.984 5 E CA 1.138 57.574 56.400 0.061 0.000 0.806 5 E CB -0.227 29.512 29.700 0.065 0.000 0.750 5 E HN 0.688 nan 8.360 nan 0.000 0.458 6 F N 1.329 121.264 119.950 -0.025 0.000 2.206 6 F HA -0.070 4.456 4.527 -0.002 0.000 0.298 6 F C 2.208 177.986 175.800 -0.038 0.000 1.090 6 F CA 1.168 59.148 58.000 -0.034 0.000 1.323 6 F CB -0.181 38.780 39.000 -0.065 0.000 1.028 6 F HN -0.060 nan 8.300 nan 0.000 0.492 7 A N -0.346 122.511 122.820 0.061 0.000 1.933 7 A HA -0.247 4.072 4.320 -0.002 0.000 0.218 7 A C 2.067 179.604 177.584 -0.078 0.000 1.175 7 A CA 1.765 53.788 52.037 -0.024 0.000 0.628 7 A CB -0.879 18.135 19.000 0.023 0.000 0.814 7 A HN 0.476 nan 8.150 nan 0.000 0.444 8 Q N -0.073 119.696 119.800 -0.052 0.000 2.030 8 Q HA -0.097 4.242 4.340 -0.002 0.000 0.204 8 Q C 1.948 177.892 176.000 -0.095 0.000 0.986 8 Q CA 1.654 57.425 55.803 -0.054 0.000 0.843 8 Q CB -0.511 28.211 28.738 -0.027 0.000 0.904 8 Q HN 0.650 nan 8.270 nan 0.000 0.420 9 L N -0.397 120.741 121.223 -0.143 0.000 2.013 9 L HA -0.270 4.069 4.340 -0.002 0.000 0.212 9 L C 2.328 179.068 176.870 -0.217 0.000 1.073 9 L CA 1.419 56.147 54.840 -0.187 0.000 0.753 9 L CB -0.533 41.362 42.059 -0.274 0.000 0.890 9 L HN 0.333 nan 8.230 nan 0.000 0.432 10 L N -0.634 120.403 121.223 -0.310 0.000 1.989 10 L HA -0.263 4.075 4.340 -0.002 0.000 0.211 10 L C 2.520 179.317 176.870 -0.123 0.000 1.071 10 L CA 1.554 56.253 54.840 -0.235 0.000 0.749 10 L CB -0.569 41.342 42.059 -0.246 0.000 0.890 10 L HN 0.277 nan 8.230 nan 0.000 0.431 11 E N -0.037 120.104 120.200 -0.098 0.000 2.085 11 E HA -0.218 4.130 4.350 -0.002 0.000 0.194 11 E C 1.944 178.514 176.600 -0.050 0.000 0.994 11 E CA 1.346 57.710 56.400 -0.059 0.000 0.801 11 E CB -0.150 29.524 29.700 -0.044 0.000 0.743 11 E HN 0.458 nan 8.360 nan 0.000 0.453 12 N N 0.270 118.936 118.700 -0.056 0.000 2.244 12 N HA -0.077 4.662 4.740 -0.002 0.000 0.183 12 N C 1.772 177.260 175.510 -0.037 0.000 1.016 12 N CA 0.659 53.685 53.050 -0.041 0.000 0.866 12 N CB -0.300 38.163 38.487 -0.040 0.000 0.980 12 N HN -0.048 nan 8.380 nan 0.000 0.430 13 S N 0.713 116.384 115.700 -0.049 0.000 2.387 13 S HA -0.087 4.382 4.470 -0.002 0.000 0.230 13 S C 1.770 176.356 174.600 -0.024 0.000 1.035 13 S CA 1.225 59.403 58.200 -0.037 0.000 1.014 13 S CB -0.076 63.097 63.200 -0.045 0.000 0.836 13 S HN 0.596 nan 8.310 nan 0.000 0.466 14 I N -3.750 116.805 120.570 -0.025 0.000 4.439 14 I HA 0.349 4.518 4.170 -0.002 0.000 0.331 14 I C 1.041 177.150 176.117 -0.014 0.000 1.345 14 I CA 0.153 61.444 61.300 -0.016 0.000 1.193 14 I CB 0.204 38.196 38.000 -0.014 0.000 1.221 14 I HN 0.051 nan 8.210 nan 0.000 0.429 15 L N 0.383 121.596 121.223 -0.018 0.000 2.575 15 L HA 0.297 4.636 4.340 -0.002 0.000 0.228 15 L C 1.247 178.110 176.870 -0.012 0.000 1.075 15 L CA 0.086 54.918 54.840 -0.014 0.000 0.867 15 L CB 0.290 42.340 42.059 -0.015 0.000 1.097 15 L HN 0.233 nan 8.230 nan 0.000 0.485 16 S N 0.900 116.592 115.700 -0.014 0.000 2.531 16 S HA 0.143 4.611 4.470 -0.002 0.000 0.279 16 S C -1.371 173.224 174.600 -0.008 0.000 1.305 16 S CA -1.113 57.080 58.200 -0.011 0.000 1.058 16 S CB 1.056 64.248 63.200 -0.013 0.000 0.899 16 S HN -0.056 nan 8.310 nan 0.000 0.493 17 P HA -0.029 nan 4.420 nan 0.000 0.218 17 P C -0.051 177.246 177.300 -0.004 0.000 1.149 17 P CA 0.661 63.759 63.100 -0.005 0.000 0.817 17 P CB -0.019 31.679 31.700 -0.004 0.000 0.785 18 D N 0.169 120.566 120.400 -0.005 0.000 2.358 18 D HA -0.049 4.590 4.640 -0.002 0.000 0.258 18 D C 1.254 177.552 176.300 -0.005 0.000 1.223 18 D CA 0.045 54.042 54.000 -0.004 0.000 0.886 18 D CB 0.664 41.461 40.800 -0.004 0.000 1.120 18 D HN 0.199 nan 8.370 nan 0.000 0.482 19 Q N 3.794 123.592 119.800 -0.003 0.000 2.224 19 Q HA -0.190 4.149 4.340 -0.002 0.000 0.203 19 Q C 0.429 176.427 176.000 -0.003 0.000 0.970 19 Q CA 0.982 56.783 55.803 -0.003 0.000 0.865 19 Q CB 0.061 28.798 28.738 -0.002 0.000 0.922 19 Q HN 0.314 nan 8.270 nan 0.000 0.445 20 N N 0.885 119.584 118.700 -0.002 0.000 2.354 20 N HA 0.026 4.765 4.740 -0.002 0.000 0.179 20 N C 1.796 177.304 175.510 -0.003 0.000 1.021 20 N CA 0.865 53.914 53.050 -0.002 0.000 0.887 20 N CB -0.032 38.454 38.487 -0.001 0.000 0.974 20 N HN 0.353 nan 8.380 nan 0.000 0.437 21 I N 0.969 121.536 120.570 -0.005 0.000 2.315 21 I HA -0.203 3.966 4.170 -0.002 0.000 0.248 21 I C 2.274 178.385 176.117 -0.010 0.000 1.117 21 I CA 0.846 62.142 61.300 -0.007 0.000 1.404 21 I CB -0.055 37.940 38.000 -0.009 0.000 1.071 21 I HN 0.085 nan 8.210 nan 0.000 0.419 22 R N 0.306 120.800 120.500 -0.009 0.000 2.070 22 R HA -0.192 4.147 4.340 -0.002 0.000 0.233 22 R C 2.326 178.621 176.300 -0.008 0.000 1.137 22 R CA 1.359 57.453 56.100 -0.011 0.000 0.945 22 R CB -0.614 29.681 30.300 -0.008 0.000 0.845 22 R HN 0.218 nan 8.270 nan 0.000 0.430 23 L N 0.775 121.995 121.223 -0.004 0.000 2.012 23 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 23 L C 2.150 179.020 176.870 0.000 0.000 1.073 23 L CA 1.956 56.795 54.840 -0.000 0.000 0.748 23 L CB -0.685 41.374 42.059 0.001 0.000 0.891 23 L HN 0.095 nan 8.230 nan 0.000 0.431 24 T N -0.935 113.619 114.554 -0.001 0.000 2.720 24 T HA -0.176 4.173 4.350 -0.002 0.000 0.268 24 T C 1.919 176.618 174.700 -0.001 0.000 1.037 24 T CA 1.741 63.841 62.100 0.000 0.000 1.144 24 T CB -0.245 68.622 68.868 -0.001 0.000 0.864 24 T HN 0.489 nan 8.240 nan 0.000 0.444 25 S N 0.727 116.421 115.700 -0.010 0.000 2.368 25 S HA -0.068 4.401 4.470 -0.002 0.000 0.224 25 S C 1.997 176.587 174.600 -0.016 0.000 1.029 25 S CA 0.856 59.043 58.200 -0.022 0.000 0.988 25 S CB -0.272 62.904 63.200 -0.040 0.000 0.838 25 S HN 0.565 nan 8.310 nan 0.000 0.462 26 E N 0.837 121.032 120.200 -0.008 0.000 2.085 26 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 26 E C 1.778 178.388 176.600 0.017 0.000 0.994 26 E CA 1.515 57.918 56.400 0.004 0.000 0.801 26 E CB -0.110 29.594 29.700 0.006 0.000 0.743 26 E HN 0.450 nan 8.360 nan 0.000 0.453 27 T N 0.537 115.100 114.554 0.014 0.000 2.746 27 T HA -0.196 4.153 4.350 -0.002 0.000 0.267 27 T C 1.829 176.545 174.700 0.027 0.000 1.039 27 T CA 1.367 63.478 62.100 0.018 0.000 1.142 27 T CB -0.186 68.690 68.868 0.014 0.000 0.866 27 T HN 0.237 nan 8.240 nan 0.000 0.444 28 Q N 0.170 119.988 119.800 0.029 0.000 2.079 28 Q HA -0.000 4.339 4.340 -0.002 0.000 0.200 28 Q C 2.289 178.340 176.000 0.085 0.000 0.974 28 Q CA 0.970 56.801 55.803 0.047 0.000 0.840 28 Q CB -0.236 28.524 28.738 0.037 0.000 0.898 28 Q HN 0.481 nan 8.270 nan 0.000 0.430 29 L N 0.459 121.732 121.223 0.083 0.000 2.012 29 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 29 L C 2.520 179.477 176.870 0.145 0.000 1.073 29 L CA 1.302 56.251 54.840 0.181 0.000 0.748 29 L CB -0.387 41.754 42.059 0.136 0.000 0.891 29 L HN 0.125 nan 8.230 nan 0.000 0.431 30 K N 0.750 121.182 120.400 0.054 0.000 2.057 30 K HA -0.217 4.102 4.320 -0.002 0.000 0.207 30 K C 2.071 178.651 176.600 -0.032 0.000 1.049 30 K CA 1.547 57.822 56.287 -0.019 0.000 0.931 30 K CB -0.169 32.333 32.500 0.002 0.000 0.714 30 K HN 0.062 nan 8.250 nan 0.000 0.440 31 K N 0.136 120.545 120.400 0.015 0.000 2.057 31 K HA -0.115 4.203 4.320 -0.002 0.000 0.207 31 K C 2.131 178.750 176.600 0.033 0.000 1.049 31 K CA 1.367 57.667 56.287 0.022 0.000 0.931 31 K CB -0.225 32.297 32.500 0.036 0.000 0.714 31 K HN 0.209 nan 8.250 nan 0.000 0.440 32 L N 1.076 122.349 121.223 0.084 0.000 2.012 32 L HA -0.219 4.119 4.340 -0.002 0.000 0.210 32 L C 2.598 179.503 176.870 0.060 0.000 1.073 32 L CA 1.930 56.858 54.840 0.146 0.000 0.748 32 L CB -0.462 41.805 42.059 0.347 0.000 0.891 32 L HN 0.403 nan 8.230 nan 0.000 0.431 33 S N -1.109 114.468 115.700 -0.205 0.000 2.399 33 S HA -0.222 4.247 4.470 -0.002 0.000 0.231 33 S C 1.752 176.303 174.600 -0.082 0.000 1.022 33 S CA 1.428 59.328 58.200 -0.500 0.000 0.983 33 S CB -0.576 61.844 63.200 -1.301 0.000 0.803 33 S HN 0.495 nan 8.310 nan 0.000 0.480 34 N N 1.515 120.175 118.700 -0.067 0.000 2.092 34 N HA -0.105 4.634 4.740 -0.002 0.000 0.189 34 N C 1.026 176.554 175.510 0.030 0.000 1.040 34 N CA 1.714 54.758 53.050 -0.011 0.000 0.845 34 N CB -0.300 38.181 38.487 -0.011 0.000 1.017 34 N HN 0.377 nan 8.380 nan 0.000 0.426 35 D N 0.295 120.717 120.400 0.036 0.000 2.117 35 D HA -0.066 4.572 4.640 -0.002 0.000 0.198 35 D C 0.428 176.763 176.300 0.059 0.000 0.982 35 D CA 1.198 55.224 54.000 0.043 0.000 0.828 35 D CB -0.120 40.706 40.800 0.043 0.000 0.967 35 D HN 0.163 nan 8.370 nan 0.000 0.464 36 N N -0.522 118.227 118.700 0.082 0.000 2.710 36 N HA -0.009 4.730 4.740 -0.002 0.000 0.244 36 N C -0.262 175.328 175.510 0.133 0.000 1.321 36 N CA -0.365 52.737 53.050 0.087 0.000 0.758 36 N CB -0.067 38.451 38.487 0.052 0.000 1.284 36 N HN -0.166 nan 8.380 nan 0.000 0.530 37 F N 2.489 122.449 119.950 0.016 0.000 2.134 37 F HA -0.094 4.433 4.527 -0.002 0.000 0.299 37 F C 1.782 177.630 175.800 0.081 0.000 1.097 37 F CA 1.021 59.049 58.000 0.047 0.000 1.264 37 F CB 0.072 39.080 39.000 0.013 0.000 1.001 37 F HN 0.457 nan 8.300 nan 0.000 0.479 38 L N 0.748 121.963 121.223 -0.013 0.000 1.990 38 L HA -0.285 4.054 4.340 -0.002 0.000 0.213 38 L C 2.471 179.218 176.870 -0.204 0.000 1.072 38 L CA 2.432 57.187 54.840 -0.140 0.000 0.755 38 L CB -1.367 40.651 42.059 -0.069 0.000 0.889 38 L HN 0.402 nan 8.230 nan 0.000 0.432 39 Q N -1.556 118.167 119.800 -0.128 0.000 2.050 39 Q HA -0.268 4.071 4.340 -0.002 0.000 0.202 39 Q C 2.333 178.180 176.000 -0.255 0.000 0.980 39 Q CA 2.187 57.895 55.803 -0.159 0.000 0.840 39 Q CB -0.409 28.276 28.738 -0.087 0.000 0.898 39 Q HN 0.596 nan 8.270 nan 0.000 0.424 40 F N 0.657 120.399 119.950 -0.346 0.000 2.095 40 F HA -0.224 4.302 4.527 -0.002 0.000 0.298 40 F C 2.001 177.499 175.800 -0.504 0.000 1.104 40 F CA 1.613 59.371 58.000 -0.403 0.000 1.232 40 F CB -0.389 38.515 39.000 -0.160 0.000 0.987 40 F HN 0.140 nan 8.300 nan 0.000 0.475 41 A N 0.463 123.001 122.820 -0.470 0.000 1.877 41 A HA -0.056 4.263 4.320 -0.002 0.000 0.216 41 A C 2.483 179.841 177.584 -0.377 0.000 1.186 41 A CA 1.759 53.513 52.037 -0.471 0.000 0.620 41 A CB -1.837 16.848 19.000 -0.525 0.000 0.822 41 A HN 0.531 nan 8.150 nan 0.000 0.443 42 G N -0.203 108.387 108.800 -0.349 0.000 2.433 42 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.216 42 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.216 42 G C 1.575 176.267 174.900 -0.348 0.000 1.186 42 G CA 1.045 45.976 45.100 -0.281 0.000 0.779 42 G HN 0.418 nan 8.290 nan 0.000 0.543 43 L N 0.724 121.628 121.223 -0.532 0.000 2.042 43 L HA -0.125 4.214 4.340 -0.002 0.000 0.210 43 L C 3.236 179.739 176.870 -0.612 0.000 1.076 43 L CA 1.311 55.740 54.840 -0.685 0.000 0.749 43 L CB -0.428 40.892 42.059 -1.233 0.000 0.893 43 L HN 0.200 nan 8.230 nan 0.000 0.432 44 S N -0.271 115.012 115.700 -0.696 0.000 2.359 44 S HA -0.201 4.267 4.470 -0.002 0.000 0.224 44 S C 2.177 176.688 174.600 -0.149 0.000 1.035 44 S CA 1.669 59.692 58.200 -0.295 0.000 1.018 44 S CB -0.300 62.658 63.200 -0.404 0.000 0.876 44 S HN 0.643 nan 8.310 nan 0.000 0.448 45 S N 1.313 116.908 115.700 -0.175 0.000 2.423 45 S HA -0.118 4.351 4.470 -0.002 0.000 0.231 45 S C 1.775 176.331 174.600 -0.073 0.000 1.014 45 S CA 0.931 59.074 58.200 -0.094 0.000 0.965 45 S CB -0.407 62.743 63.200 -0.082 0.000 0.785 45 S HN 0.528 nan 8.310 nan 0.000 0.495 46 Q N 0.293 120.033 119.800 -0.100 0.000 2.123 46 Q HA 0.059 4.398 4.340 -0.002 0.000 0.199 46 Q C 2.297 178.281 176.000 -0.027 0.000 0.966 46 Q CA 1.374 57.137 55.803 -0.066 0.000 0.845 46 Q CB -0.215 28.469 28.738 -0.089 0.000 0.907 46 Q HN 0.515 nan 8.270 nan 0.000 0.439 47 V N 0.922 120.835 119.914 -0.003 0.000 2.453 47 V HA -0.213 3.905 4.120 -0.002 0.000 0.247 47 V C 2.102 178.206 176.094 0.017 0.000 1.048 47 V CA 1.110 63.432 62.300 0.036 0.000 1.049 47 V CB -0.423 31.465 31.823 0.109 0.000 0.672 47 V HN 0.328 nan 8.190 nan 0.000 0.457 48 L N 1.160 122.387 121.223 0.007 0.000 2.079 48 L HA -0.139 4.199 4.340 -0.002 0.000 0.210 48 L C 1.990 178.863 176.870 0.005 0.000 1.081 48 L CA 2.298 57.142 54.840 0.006 0.000 0.752 48 L CB -0.481 41.579 42.059 0.002 0.000 0.896 48 L HN 0.551 nan 8.230 nan 0.000 0.433 49 I N -3.605 116.965 120.570 -0.000 0.000 3.883 49 I HA 0.244 4.412 4.170 -0.002 0.000 0.326 49 I C 0.049 176.166 176.117 0.000 0.000 1.283 49 I CA -0.364 60.937 61.300 0.001 0.000 1.161 49 I CB -0.398 37.601 38.000 -0.002 0.000 1.012 49 I HN 0.110 nan 8.210 nan 0.000 0.421 50 D N 2.064 122.465 120.400 0.001 0.000 2.295 50 D HA 0.064 4.703 4.640 -0.002 0.000 0.248 50 D C 1.124 177.426 176.300 0.003 0.000 1.154 50 D CA -0.070 53.931 54.000 0.002 0.000 0.857 50 D CB 1.072 41.875 40.800 0.005 0.000 1.117 50 D HN 0.096 nan 8.370 nan 0.000 0.468 51 E N 3.015 123.216 120.200 0.002 0.000 2.204 51 E HA -0.119 4.230 4.350 -0.002 0.000 0.194 51 E C 0.789 177.390 176.600 0.002 0.000 0.989 51 E CA 0.574 56.975 56.400 0.002 0.000 0.824 51 E CB -0.012 29.688 29.700 0.001 0.000 0.756 51 E HN 0.566 nan 8.360 nan 0.000 0.477 52 N N 0.727 119.428 118.700 0.002 0.000 2.463 52 N HA -0.031 4.707 4.740 -0.002 0.000 0.181 52 N C 0.281 175.792 175.510 0.001 0.000 1.078 52 N CA 0.387 53.437 53.050 0.001 0.000 0.902 52 N CB 0.184 38.672 38.487 0.002 0.000 0.970 52 N HN -0.005 nan 8.380 nan 0.000 0.451 53 T N 1.650 116.205 114.554 0.002 0.000 2.889 53 T HA 0.160 4.509 4.350 -0.002 0.000 0.291 53 T C 0.552 175.251 174.700 -0.002 0.000 0.995 53 T CA -0.467 61.633 62.100 0.000 0.000 1.092 53 T CB 1.633 70.504 68.868 0.004 0.000 0.954 53 T HN -0.055 nan 8.240 nan 0.000 0.506 54 K N 2.515 122.912 120.400 -0.005 0.000 2.527 54 K HA 0.062 4.380 4.320 -0.002 0.000 0.278 54 K C 1.462 178.060 176.600 -0.004 0.000 0.981 54 K CA -0.287 55.997 56.287 -0.005 0.000 1.009 54 K CB 0.417 32.912 32.500 -0.008 0.000 0.895 54 K HN 0.511 nan 8.250 nan 0.000 0.493 55 L N 2.569 123.791 121.223 -0.001 0.000 1.997 55 L HA -0.326 4.013 4.340 -0.002 0.000 0.216 55 L C 1.726 178.596 176.870 -0.000 0.000 1.074 55 L CA 1.900 56.741 54.840 0.001 0.000 0.763 55 L CB -0.129 41.932 42.059 0.002 0.000 0.890 55 L HN 0.698 nan 8.230 nan 0.000 0.434 56 E N -0.442 119.756 120.200 -0.003 0.000 2.110 56 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 56 E C 1.969 178.563 176.600 -0.010 0.000 0.988 56 E CA 1.198 57.596 56.400 -0.004 0.000 0.804 56 E CB -0.489 29.207 29.700 -0.006 0.000 0.745 56 E HN 0.624 nan 8.360 nan 0.000 0.458 57 G N 0.467 109.258 108.800 -0.015 0.000 2.408 57 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.217 57 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.217 57 G C 1.481 176.371 174.900 -0.016 0.000 1.150 57 G CA 0.556 45.640 45.100 -0.026 0.000 0.776 57 G HN 0.124 nan 8.290 nan 0.000 0.542 58 R N -0.208 120.289 120.500 -0.004 0.000 2.090 58 R HA 0.152 4.491 4.340 -0.002 0.000 0.228 58 R C 2.522 178.826 176.300 0.008 0.000 1.110 58 R CA 0.771 56.874 56.100 0.005 0.000 0.973 58 R CB -0.340 29.963 30.300 0.007 0.000 0.869 58 R HN 0.350 nan 8.270 nan 0.000 0.440 59 I N 0.704 121.278 120.570 0.008 0.000 2.179 59 I HA -0.285 3.884 4.170 -0.002 0.000 0.242 59 I C 2.259 178.384 176.117 0.013 0.000 1.088 59 I CA 0.939 62.247 61.300 0.013 0.000 1.357 59 I CB -0.224 37.784 38.000 0.013 0.000 1.051 59 I HN 0.119 nan 8.210 nan 0.000 0.409 60 L N 1.034 122.259 121.223 0.005 0.000 2.083 60 L HA -0.168 4.171 4.340 -0.002 0.000 0.209 60 L C 2.523 179.400 176.870 0.011 0.000 1.083 60 L CA 2.017 56.859 54.840 0.004 0.000 0.752 60 L CB -0.749 41.301 42.059 -0.014 0.000 0.899 60 L HN 0.206 nan 8.230 nan 0.000 0.433 61 A N -0.629 122.195 122.820 0.007 0.000 1.877 61 A HA -0.123 4.195 4.320 -0.002 0.000 0.216 61 A C 2.465 180.059 177.584 0.017 0.000 1.186 61 A CA 1.851 53.900 52.037 0.020 0.000 0.620 61 A CB -1.148 17.873 19.000 0.035 0.000 0.822 61 A HN 0.542 nan 8.150 nan 0.000 0.443 62 A N -0.234 122.597 122.820 0.018 0.000 1.877 62 A HA -0.056 4.263 4.320 -0.002 0.000 0.216 62 A C 2.201 179.804 177.584 0.031 0.000 1.186 62 A CA 1.558 53.608 52.037 0.021 0.000 0.620 62 A CB -0.655 18.361 19.000 0.027 0.000 0.822 62 A HN 0.471 nan 8.150 nan 0.000 0.443 63 L N -0.715 120.528 121.223 0.034 0.000 2.056 63 L HA -0.150 4.188 4.340 -0.002 0.000 0.207 63 L C 2.774 179.681 176.870 0.062 0.000 1.078 63 L CA 1.808 56.670 54.840 0.037 0.000 0.749 63 L CB -0.978 41.099 42.059 0.029 0.000 0.901 63 L HN 0.381 nan 8.230 nan 0.000 0.433 64 T N 0.196 114.801 114.554 0.084 0.000 2.821 64 T HA -0.157 4.192 4.350 -0.002 0.000 0.267 64 T C 1.815 176.653 174.700 0.230 0.000 1.046 64 T CA 1.009 63.204 62.100 0.158 0.000 1.139 64 T CB -0.223 68.763 68.868 0.197 0.000 0.871 64 T HN 0.104 nan 8.240 nan 0.000 0.454 65 L N 1.720 123.042 121.223 0.165 0.000 2.056 65 L HA 0.070 4.408 4.340 -0.002 0.000 0.207 65 L C 2.329 179.268 176.870 0.116 0.000 1.078 65 L CA 1.778 56.733 54.840 0.192 0.000 0.749 65 L CB -0.640 41.450 42.059 0.052 0.000 0.901 65 L HN 0.041 nan 8.230 nan 0.000 0.433 66 K N -0.393 120.042 120.400 0.058 0.000 2.032 66 K HA -0.210 4.109 4.320 -0.002 0.000 0.209 66 K C 1.510 178.126 176.600 0.028 0.000 1.048 66 K CA 1.712 58.013 56.287 0.023 0.000 0.927 66 K CB -0.235 32.275 32.500 0.016 0.000 0.712 66 K HN 0.428 nan 8.250 nan 0.000 0.441 67 N N 1.275 120.006 118.700 0.052 0.000 2.571 67 N HA -0.076 4.663 4.740 -0.002 0.000 0.189 67 N C 0.450 175.947 175.510 -0.023 0.000 1.154 67 N CA 0.678 53.768 53.050 0.067 0.000 0.907 67 N CB 0.266 38.803 38.487 0.083 0.000 0.977 67 N HN 0.312 nan 8.380 nan 0.000 0.449 68 E N -0.340 119.749 120.200 -0.185 0.000 2.526 68 E HA 0.205 4.553 4.350 -0.002 0.000 0.208 68 E C 1.266 177.285 176.600 -0.968 0.000 0.997 68 E CA -0.005 55.937 56.400 -0.763 0.000 0.961 68 E CB 0.702 30.278 29.700 -0.207 0.000 1.030 68 E HN 0.350 nan 8.360 nan 0.000 0.483 69 L N -0.528 120.509 121.223 -0.310 0.000 2.642 69 L HA 0.281 4.619 4.340 -0.002 0.000 0.233 69 L C 0.434 177.418 176.870 0.189 0.000 1.077 69 L CA 0.140 54.937 54.840 -0.072 0.000 0.879 69 L CB 1.144 43.143 42.059 -0.100 0.000 1.151 69 L HN -0.190 nan 8.230 nan 0.000 0.495 70 V N -1.109 118.967 119.914 0.270 0.000 3.012 70 V HA 0.600 4.719 4.120 -0.002 0.000 0.307 70 V C -1.207 175.044 176.094 0.261 0.000 1.166 70 V CA -0.370 62.069 62.300 0.233 0.000 0.974 70 V CB 2.581 34.456 31.823 0.086 0.000 1.040 70 V HN 0.083 nan 8.190 nan 0.000 0.428 71 S N 2.466 118.247 115.700 0.135 0.000 2.550 71 S HA 0.463 4.931 4.470 -0.002 0.000 0.270 71 S C 0.361 174.966 174.600 0.008 0.000 1.145 71 S CA -0.600 57.641 58.200 0.069 0.000 0.852 71 S CB 2.121 65.297 63.200 -0.040 0.000 1.119 71 S HN 0.705 nan 8.310 nan 0.000 0.465 72 K N 0.960 121.360 120.400 0.000 0.000 2.097 72 K HA -0.047 4.271 4.320 -0.002 0.000 0.206 72 K C 0.484 177.066 176.600 -0.031 0.000 1.049 72 K CA 0.973 57.252 56.287 -0.014 0.000 0.933 72 K CB -0.120 32.373 32.500 -0.011 0.000 0.717 72 K HN 0.592 nan 8.250 nan 0.000 0.442 73 D N 0.802 121.170 120.400 -0.053 0.000 2.317 73 D HA -0.016 4.623 4.640 -0.002 0.000 0.252 73 D C 0.749 176.995 176.300 -0.090 0.000 1.174 73 D CA -0.003 53.954 54.000 -0.072 0.000 0.866 73 D CB 1.308 42.053 40.800 -0.093 0.000 1.127 73 D HN 0.101 nan 8.370 nan 0.000 0.467 74 S N 2.478 118.139 115.700 -0.065 0.000 2.481 74 S HA -0.094 4.375 4.470 -0.002 0.000 0.231 74 S C 1.855 176.409 174.600 -0.077 0.000 0.996 74 S CA 0.316 58.482 58.200 -0.058 0.000 0.942 74 S CB 0.050 63.231 63.200 -0.031 0.000 0.768 74 S HN 0.385 nan 8.310 nan 0.000 0.520 75 V N 1.721 121.580 119.914 -0.092 0.000 2.358 75 V HA -0.079 4.040 4.120 -0.002 0.000 0.246 75 V C 2.751 178.737 176.094 -0.179 0.000 1.047 75 V CA 1.973 64.210 62.300 -0.106 0.000 1.035 75 V CB -0.610 31.160 31.823 -0.090 0.000 0.658 75 V HN 0.477 nan 8.190 nan 0.000 0.452 76 K N -0.534 119.707 120.400 -0.265 0.000 2.148 76 K HA -0.139 4.179 4.320 -0.002 0.000 0.204 76 K C 2.241 178.468 176.600 -0.622 0.000 1.050 76 K CA 1.633 57.600 56.287 -0.533 0.000 0.942 76 K CB -0.246 31.886 32.500 -0.614 0.000 0.724 76 K HN 0.444 nan 8.250 nan 0.000 0.446 77 T N 1.058 115.423 114.554 -0.316 0.000 2.720 77 T HA -0.177 4.172 4.350 -0.002 0.000 0.268 77 T C 1.686 176.353 174.700 -0.055 0.000 1.037 77 T CA 1.399 63.418 62.100 -0.135 0.000 1.144 77 T CB -0.094 68.746 68.868 -0.047 0.000 0.864 77 T HN 0.336 nan 8.240 nan 0.000 0.444 78 Q N 0.400 120.161 119.800 -0.065 0.000 2.119 78 Q HA -0.073 4.266 4.340 -0.002 0.000 0.201 78 Q C 2.570 178.567 176.000 -0.005 0.000 0.972 78 Q CA 1.089 56.887 55.803 -0.008 0.000 0.847 78 Q CB -0.103 28.630 28.738 -0.008 0.000 0.903 78 Q HN 0.611 nan 8.270 nan 0.000 0.433 79 Q N -0.467 119.288 119.800 -0.075 0.000 2.079 79 Q HA -0.131 4.207 4.340 -0.002 0.000 0.200 79 Q C 1.712 177.769 176.000 0.096 0.000 0.974 79 Q CA 1.001 56.782 55.803 -0.036 0.000 0.840 79 Q CB -0.007 28.665 28.738 -0.109 0.000 0.898 79 Q HN 0.303 nan 8.270 nan 0.000 0.430 80 F N 0.642 120.561 119.950 -0.052 0.000 2.146 80 F HA -0.071 4.456 4.527 -0.001 0.000 0.298 80 F C 2.391 178.194 175.800 0.006 0.000 1.096 80 F CA 0.686 58.646 58.000 -0.068 0.000 1.275 80 F CB -1.229 37.742 39.000 -0.048 0.000 1.008 80 F HN 0.056 nan 8.300 nan 0.000 0.480 81 A N -0.135 122.820 122.820 0.225 0.000 1.883 81 A HA -0.284 4.035 4.320 -0.002 0.000 0.217 81 A C 2.228 179.918 177.584 0.176 0.000 1.186 81 A CA 1.944 54.094 52.037 0.188 0.000 0.624 81 A CB -1.107 17.981 19.000 0.147 0.000 0.822 81 A HN 0.453 nan 8.150 nan 0.000 0.444 82 Q N -0.485 119.382 119.800 0.112 0.000 2.167 82 Q HA -0.183 4.156 4.340 -0.002 0.000 0.202 82 Q C 2.201 178.236 176.000 0.057 0.000 0.970 82 Q CA 1.684 57.526 55.803 0.064 0.000 0.855 82 Q CB -0.174 28.588 28.738 0.040 0.000 0.911 82 Q HN 0.677 nan 8.270 nan 0.000 0.438 83 R N -0.377 120.158 120.500 0.058 0.000 2.075 83 R HA -0.157 4.182 4.340 -0.002 0.000 0.232 83 R C 2.127 178.468 176.300 0.067 0.000 1.126 83 R CA 1.438 57.530 56.100 -0.015 0.000 0.963 83 R CB -0.658 29.531 30.300 -0.184 0.000 0.858 83 R HN 0.601 nan 8.270 nan 0.000 0.435 84 W N 1.383 122.669 121.300 -0.024 0.000 2.354 84 W HA -0.208 4.451 4.660 -0.002 0.000 0.315 84 W C 1.568 178.112 176.519 0.040 0.000 1.206 84 W CA 1.392 58.790 57.345 0.089 0.000 1.290 84 W CB -0.374 29.141 29.460 0.092 0.000 1.152 84 W HN 0.117 nan 8.180 nan 0.000 0.489 85 I N 1.268 121.897 120.570 0.097 0.000 2.264 85 I HA -0.341 3.828 4.170 -0.002 0.000 0.248 85 I C 2.559 178.593 176.117 -0.139 0.000 1.111 85 I CA 2.261 63.522 61.300 -0.064 0.000 1.382 85 I CB -0.556 37.409 38.000 -0.058 0.000 1.060 85 I HN 0.066 nan 8.210 nan 0.000 0.418 86 T N -3.462 111.042 114.554 -0.084 0.000 3.034 86 T HA 0.034 4.383 4.350 -0.002 0.000 0.248 86 T C 1.706 176.364 174.700 -0.071 0.000 1.040 86 T CA 0.084 62.142 62.100 -0.070 0.000 1.107 86 T CB 0.025 68.874 68.868 -0.033 0.000 0.932 86 T HN 0.267 nan 8.240 nan 0.000 0.474 87 Q N 0.514 120.284 119.800 -0.050 0.000 2.402 87 Q HA 0.284 4.623 4.340 -0.002 0.000 0.206 87 Q C -0.225 175.745 176.000 -0.051 0.000 0.919 87 Q CA 0.103 55.899 55.803 -0.012 0.000 0.923 87 Q CB 0.761 29.546 28.738 0.077 0.000 1.048 87 Q HN 0.350 nan 8.270 nan 0.000 0.515 88 V N 2.281 122.092 119.914 -0.171 0.000 2.370 88 V HA 0.137 4.255 4.120 -0.002 0.000 0.279 88 V C 0.247 176.145 176.094 -0.326 0.000 1.029 88 V CA -0.684 61.438 62.300 -0.296 0.000 0.870 88 V CB 1.361 32.840 31.823 -0.574 0.000 0.984 88 V HN 0.229 nan 8.190 nan 0.000 0.451 89 S N 5.881 121.441 115.700 -0.233 0.000 2.573 89 S HA 0.185 4.654 4.470 -0.002 0.000 0.277 89 S C -1.592 172.876 174.600 -0.220 0.000 1.346 89 S CA -0.689 57.398 58.200 -0.189 0.000 1.034 89 S CB 0.692 63.810 63.200 -0.137 0.000 0.879 89 S HN 0.548 nan 8.310 nan 0.000 0.528 90 P HA -0.124 nan 4.420 nan 0.000 0.216 90 P C 1.009 178.225 177.300 -0.141 0.000 1.150 90 P CA 1.456 64.465 63.100 -0.151 0.000 0.843 90 P CB -0.049 31.592 31.700 -0.098 0.000 0.787 91 E N -0.206 119.922 120.200 -0.121 0.000 2.072 91 E HA -0.110 4.239 4.350 -0.002 0.000 0.191 91 E C 2.173 178.699 176.600 -0.123 0.000 0.985 91 E CA 1.515 57.853 56.400 -0.103 0.000 0.801 91 E CB -1.191 28.459 29.700 -0.084 0.000 0.750 91 E HN 0.168 nan 8.360 nan 0.000 0.452 92 A N 1.248 123.975 122.820 -0.156 0.000 1.898 92 A HA -0.184 4.135 4.320 -0.002 0.000 0.216 92 A C 1.944 179.409 177.584 -0.197 0.000 1.181 92 A CA 1.411 53.343 52.037 -0.174 0.000 0.620 92 A CB -0.299 18.578 19.000 -0.204 0.000 0.819 92 A HN 0.052 nan 8.150 nan 0.000 0.442 93 K N -0.298 119.935 120.400 -0.279 0.000 2.032 93 K HA -0.174 4.145 4.320 -0.002 0.000 0.209 93 K C 2.060 178.574 176.600 -0.142 0.000 1.048 93 K CA 1.420 57.537 56.287 -0.282 0.000 0.927 93 K CB -0.280 32.003 32.500 -0.362 0.000 0.712 93 K HN 0.544 nan 8.250 nan 0.000 0.441 94 N N 0.710 119.321 118.700 -0.149 0.000 2.120 94 N HA -0.199 4.540 4.740 -0.002 0.000 0.188 94 N C 1.951 177.405 175.510 -0.093 0.000 1.024 94 N CA 1.257 54.231 53.050 -0.126 0.000 0.852 94 N CB 0.154 38.586 38.487 -0.091 0.000 1.003 94 N HN 0.122 nan 8.380 nan 0.000 0.424 95 Q N 1.164 120.914 119.800 -0.083 0.000 2.046 95 Q HA 0.039 4.377 4.340 -0.002 0.000 0.200 95 Q C 2.098 178.067 176.000 -0.052 0.000 0.975 95 Q CA 1.140 56.905 55.803 -0.063 0.000 0.836 95 Q CB -0.317 28.378 28.738 -0.072 0.000 0.896 95 Q HN 0.427 nan 8.270 nan 0.000 0.428 96 I N 0.112 120.656 120.570 -0.044 0.000 2.163 96 I HA -0.347 3.821 4.170 -0.002 0.000 0.243 96 I C 2.123 178.231 176.117 -0.016 0.000 1.085 96 I CA 1.489 62.788 61.300 -0.001 0.000 1.347 96 I CB -0.227 37.843 38.000 0.116 0.000 1.044 96 I HN 0.154 nan 8.210 nan 0.000 0.408 97 K N 0.025 120.377 120.400 -0.080 0.000 2.026 97 K HA -0.147 4.172 4.320 -0.002 0.000 0.208 97 K C 2.114 178.708 176.600 -0.010 0.000 1.048 97 K CA 1.989 58.169 56.287 -0.179 0.000 0.929 97 K CB -0.401 31.765 32.500 -0.558 0.000 0.713 97 K HN 0.283 nan 8.250 nan 0.000 0.439 98 T N 1.458 116.005 114.554 -0.013 0.000 2.720 98 T HA -0.118 4.231 4.350 -0.002 0.000 0.268 98 T C 1.516 176.236 174.700 0.034 0.000 1.037 98 T CA 1.546 63.665 62.100 0.032 0.000 1.144 98 T CB -0.300 68.574 68.868 0.010 0.000 0.864 98 T HN 0.199 nan 8.240 nan 0.000 0.444 99 N N 1.328 120.034 118.700 0.010 0.000 2.244 99 N HA 0.045 4.784 4.740 -0.002 0.000 0.183 99 N C 2.022 177.549 175.510 0.028 0.000 1.016 99 N CA 1.137 54.193 53.050 0.010 0.000 0.866 99 N CB -0.574 37.906 38.487 -0.012 0.000 0.980 99 N HN 0.441 nan 8.380 nan 0.000 0.430 100 A N 0.956 123.803 122.820 0.044 0.000 1.873 100 A HA -0.020 4.298 4.320 -0.002 0.000 0.215 100 A C 2.259 179.899 177.584 0.094 0.000 1.186 100 A CA 0.873 52.952 52.037 0.071 0.000 0.616 100 A CB -0.735 18.323 19.000 0.097 0.000 0.823 100 A HN 0.220 nan 8.150 nan 0.000 0.442 101 L N -0.578 120.720 121.223 0.125 0.000 2.201 101 L HA -0.130 4.209 4.340 -0.002 0.000 0.212 101 L C 2.625 179.535 176.870 0.066 0.000 1.105 101 L CA 1.462 56.371 54.840 0.114 0.000 0.775 101 L CB -0.596 41.554 42.059 0.152 0.000 0.913 101 L HN 0.356 nan 8.230 nan 0.000 0.440 102 T N -0.311 114.275 114.554 0.053 0.000 2.770 102 T HA -0.081 4.268 4.350 -0.002 0.000 0.263 102 T C 2.073 176.789 174.700 0.027 0.000 1.039 102 T CA 1.164 63.283 62.100 0.033 0.000 1.142 102 T CB -0.142 68.740 68.868 0.024 0.000 0.868 102 T HN 0.420 nan 8.240 nan 0.000 0.435 103 A N 1.532 124.369 122.820 0.029 0.000 1.908 103 A HA -0.060 4.259 4.320 -0.002 0.000 0.218 103 A C 2.225 179.824 177.584 0.025 0.000 1.181 103 A CA 1.341 53.392 52.037 0.025 0.000 0.627 103 A CB -0.951 18.065 19.000 0.026 0.000 0.818 103 A HN 0.399 nan 8.150 nan 0.000 0.445 104 L N 0.389 121.632 121.223 0.032 0.000 2.081 104 L HA -0.161 4.178 4.340 -0.002 0.000 0.212 104 L C 2.132 179.008 176.870 0.010 0.000 1.080 104 L CA 2.460 57.314 54.840 0.023 0.000 0.754 104 L CB -0.295 41.780 42.059 0.027 0.000 0.893 104 L HN 0.440 nan 8.230 nan 0.000 0.433 105 V N -3.394 116.527 119.914 0.013 0.000 3.514 105 V HA 0.222 4.341 4.120 -0.002 0.000 0.301 105 V C 1.117 177.215 176.094 0.006 0.000 1.346 105 V CA 0.151 62.454 62.300 0.006 0.000 1.156 105 V CB -0.997 30.831 31.823 0.008 0.000 1.029 105 V HN 0.362 nan 8.190 nan 0.000 0.428 106 S N 0.419 116.124 115.700 0.008 0.000 2.558 106 S HA 0.255 4.724 4.470 -0.002 0.000 0.288 106 S C 0.952 175.554 174.600 0.004 0.000 1.318 106 S CA -0.078 58.127 58.200 0.007 0.000 1.056 106 S CB 0.321 63.527 63.200 0.009 0.000 0.853 106 S HN 0.504 nan 8.310 nan 0.000 0.505 107 I N 1.905 122.477 120.570 0.003 0.000 3.291 107 I HA 0.068 4.237 4.170 -0.002 0.000 0.279 107 I C 1.013 177.131 176.117 0.002 0.000 1.294 107 I CA 0.387 61.688 61.300 0.001 0.000 1.428 107 I CB -0.177 37.824 38.000 0.001 0.000 1.070 107 I HN 0.576 nan 8.210 nan 0.000 0.478 108 E N 2.066 122.268 120.200 0.004 0.000 2.105 108 E HA 0.129 4.478 4.350 -0.002 0.000 0.285 108 E C -1.637 174.967 176.600 0.007 0.000 1.055 108 E CA -1.989 54.414 56.400 0.005 0.000 0.843 108 E CB 0.983 30.687 29.700 0.007 0.000 1.067 108 E HN -0.054 nan 8.360 nan 0.000 0.398 109 P HA -0.156 nan 4.420 nan 0.000 0.216 109 P C 0.692 178.000 177.300 0.013 0.000 1.150 109 P CA 1.166 64.269 63.100 0.006 0.000 0.837 109 P CB 0.261 31.964 31.700 0.004 0.000 0.786 110 R N -0.931 119.578 120.500 0.015 0.000 2.148 110 R HA 0.037 4.376 4.340 -0.002 0.000 0.223 110 R C 2.341 178.656 176.300 0.025 0.000 1.088 110 R CA 0.860 56.973 56.100 0.022 0.000 0.985 110 R CB -0.752 29.559 30.300 0.019 0.000 0.880 110 R HN 0.278 nan 8.270 nan 0.000 0.451 111 I N 0.614 121.195 120.570 0.020 0.000 2.233 111 I HA -0.218 3.951 4.170 -0.002 0.000 0.243 111 I C 2.611 178.744 176.117 0.026 0.000 1.093 111 I CA 1.159 62.472 61.300 0.021 0.000 1.380 111 I CB -0.365 37.644 38.000 0.016 0.000 1.067 111 I HN 0.106 nan 8.210 nan 0.000 0.413 112 A N 0.942 123.775 122.820 0.020 0.000 1.917 112 A HA -0.290 4.029 4.320 -0.002 0.000 0.219 112 A C 2.011 179.612 177.584 0.028 0.000 1.182 112 A CA 2.515 54.563 52.037 0.018 0.000 0.633 112 A CB -1.234 17.768 19.000 0.004 0.000 0.819 112 A HN 0.543 nan 8.150 nan 0.000 0.448 113 N N -0.004 118.718 118.700 0.037 0.000 2.084 113 N HA -0.068 4.671 4.740 -0.002 0.000 0.190 113 N C 1.956 177.536 175.510 0.117 0.000 1.030 113 N CA 1.171 54.264 53.050 0.072 0.000 0.849 113 N CB -0.280 38.254 38.487 0.078 0.000 1.012 113 N HN 0.507 nan 8.380 nan 0.000 0.423 114 A N 1.095 123.964 122.820 0.081 0.000 1.930 114 A HA 0.048 4.367 4.320 -0.002 0.000 0.217 114 A C 2.321 179.950 177.584 0.076 0.000 1.175 114 A CA 1.511 53.592 52.037 0.074 0.000 0.627 114 A CB -0.802 18.226 19.000 0.046 0.000 0.815 114 A HN 0.341 nan 8.150 nan 0.000 0.443 115 A N 0.111 122.970 122.820 0.064 0.000 1.908 115 A HA 0.101 4.420 4.320 -0.002 0.000 0.218 115 A C 2.517 180.153 177.584 0.088 0.000 1.181 115 A CA 2.208 54.283 52.037 0.064 0.000 0.627 115 A CB -1.098 17.932 19.000 0.050 0.000 0.818 115 A HN 1.107 nan 8.150 nan 0.000 0.445 116 A N -0.647 122.231 122.820 0.096 0.000 1.917 116 A HA -0.272 4.047 4.320 -0.002 0.000 0.219 116 A C 2.133 179.867 177.584 0.250 0.000 1.182 116 A CA 1.843 53.951 52.037 0.118 0.000 0.633 116 A CB -0.629 18.386 19.000 0.025 0.000 0.819 116 A HN 0.693 nan 8.150 nan 0.000 0.448 117 Q N -1.296 118.664 119.800 0.266 0.000 2.079 117 Q HA -0.132 4.207 4.340 -0.002 0.000 0.200 117 Q C 2.119 178.169 176.000 0.082 0.000 0.974 117 Q CA 1.340 57.237 55.803 0.157 0.000 0.840 117 Q CB -0.346 28.405 28.738 0.023 0.000 0.898 117 Q HN 0.584 nan 8.270 nan 0.000 0.430 118 L N 0.915 122.180 121.223 0.071 0.000 2.046 118 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 118 L C 1.979 178.884 176.870 0.058 0.000 1.077 118 L CA 1.590 56.453 54.840 0.038 0.000 0.747 118 L CB -0.376 41.702 42.059 0.032 0.000 0.896 118 L HN 0.180 nan 8.230 nan 0.000 0.432 119 I N -0.476 120.161 120.570 0.113 0.000 2.226 119 I HA -0.300 3.868 4.170 -0.002 0.000 0.245 119 I C 2.590 178.781 176.117 0.123 0.000 1.100 119 I CA 1.195 62.600 61.300 0.175 0.000 1.374 119 I CB -0.613 37.471 38.000 0.141 0.000 1.057 119 I HN 0.371 nan 8.210 nan 0.000 0.413 120 A N 0.736 123.613 122.820 0.095 0.000 1.908 120 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 120 A C 2.543 180.150 177.584 0.038 0.000 1.181 120 A CA 2.032 54.110 52.037 0.068 0.000 0.627 120 A CB -0.926 18.148 19.000 0.125 0.000 0.818 120 A HN 0.442 nan 8.150 nan 0.000 0.445 121 A N 0.091 122.922 122.820 0.018 0.000 1.865 121 A HA -0.127 4.191 4.320 -0.002 0.000 0.217 121 A C 2.138 179.676 177.584 -0.077 0.000 1.191 121 A CA 1.633 53.654 52.037 -0.026 0.000 0.623 121 A CB -0.724 18.249 19.000 -0.045 0.000 0.826 121 A HN 0.512 nan 8.150 nan 0.000 0.444 122 I N -0.138 120.364 120.570 -0.114 0.000 2.163 122 I HA -0.328 3.840 4.170 -0.002 0.000 0.243 122 I C 2.971 179.129 176.117 0.068 0.000 1.085 122 I CA 1.251 62.426 61.300 -0.207 0.000 1.347 122 I CB -0.449 37.446 38.000 -0.176 0.000 1.044 122 I HN 0.370 nan 8.210 nan 0.000 0.408 123 A N 0.446 123.381 122.820 0.191 0.000 1.933 123 A HA -0.242 4.077 4.320 -0.002 0.000 0.218 123 A C 1.924 179.564 177.584 0.094 0.000 1.175 123 A CA 2.049 54.179 52.037 0.157 0.000 0.628 123 A CB -0.595 18.403 19.000 -0.004 0.000 0.814 123 A HN 0.370 nan 8.150 nan 0.000 0.444 124 D N -0.008 120.425 120.400 0.054 0.000 2.149 124 D HA -0.127 4.512 4.640 -0.002 0.000 0.198 124 D C 1.787 178.142 176.300 0.092 0.000 0.990 124 D CA 1.217 55.252 54.000 0.058 0.000 0.839 124 D CB -0.266 40.558 40.800 0.040 0.000 0.948 124 D HN 0.570 nan 8.370 nan 0.000 0.460 125 I N 0.579 121.194 120.570 0.075 0.000 2.333 125 I HA -0.140 4.029 4.170 -0.002 0.000 0.246 125 I C 2.224 178.471 176.117 0.216 0.000 1.106 125 I CA 0.938 62.308 61.300 0.118 0.000 1.411 125 I CB 0.004 38.012 38.000 0.013 0.000 1.082 125 I HN -0.083 nan 8.210 nan 0.000 0.420 126 E N 0.453 120.787 120.200 0.224 0.000 2.166 126 E HA 0.000 4.349 4.350 -0.002 0.000 0.192 126 E C 2.358 179.128 176.600 0.283 0.000 0.967 126 E CA 0.505 57.087 56.400 0.303 0.000 0.840 126 E CB 0.148 30.079 29.700 0.385 0.000 0.795 126 E HN 0.388 nan 8.360 nan 0.000 0.470 127 L N 1.216 122.571 121.223 0.220 0.000 2.079 127 L HA -0.136 4.203 4.340 -0.002 0.000 0.210 127 L C -0.452 176.505 176.870 0.145 0.000 1.081 127 L CA 1.205 56.140 54.840 0.158 0.000 0.752 127 L CB -1.546 40.567 42.059 0.090 0.000 0.896 127 L HN 0.136 nan 8.230 nan 0.000 0.433 128 P HA -0.138 nan 4.420 nan 0.000 0.216 128 P C 1.057 178.378 177.300 0.034 0.000 1.153 128 P CA 1.441 64.590 63.100 0.082 0.000 0.848 128 P CB -0.054 31.688 31.700 0.069 0.000 0.787 129 H N -1.706 117.428 119.070 0.106 0.000 2.556 129 H HA 0.234 4.788 4.556 -0.002 0.000 0.268 129 H C 1.491 176.879 175.328 0.100 0.000 0.996 129 H CA 1.009 57.117 56.048 0.100 0.000 1.157 129 H CB -0.701 29.130 29.762 0.114 0.000 1.355 129 H HN 0.126 nan 8.280 nan 0.000 0.597 130 G N -0.188 108.725 108.800 0.188 0.000 2.168 130 G HA2 -0.325 3.633 3.960 -0.002 0.000 0.263 130 G HA3 -0.325 3.633 3.960 -0.002 0.000 0.263 130 G C 0.682 175.691 174.900 0.182 0.000 0.977 130 G CA 0.329 45.521 45.100 0.154 0.000 0.659 130 G HN 0.714 nan 8.290 nan 0.000 0.533 131 A N -1.331 121.628 122.820 0.231 0.000 2.292 131 A HA 0.481 4.800 4.320 -0.002 0.000 0.265 131 A C 1.116 178.900 177.584 0.334 0.000 1.133 131 A CA 0.746 52.927 52.037 0.241 0.000 0.807 131 A CB -0.073 19.068 19.000 0.235 0.000 1.102 131 A HN 1.592 nan 8.150 nan 0.000 0.502 132 W N -0.443 120.923 121.300 0.111 0.000 7.223 132 W HA -0.115 4.543 4.660 -0.003 0.000 0.419 132 W C -1.807 174.754 176.519 0.069 0.000 1.661 132 W CA 0.537 57.937 57.345 0.091 0.000 1.173 132 W CB -1.241 28.277 29.460 0.097 0.000 2.887 132 W HN 0.564 nan 8.180 nan 0.000 1.606 133 P HA -0.079 nan 4.420 nan 0.000 0.245 133 P C 0.998 178.348 177.300 0.084 0.000 1.212 133 P CA 1.368 64.550 63.100 0.136 0.000 0.774 133 P CB 0.350 32.120 31.700 0.118 0.000 0.999 134 E N -0.388 119.902 120.200 0.149 0.000 2.299 134 E HA -0.047 4.302 4.350 -0.002 0.000 0.193 134 E C 1.793 178.346 176.600 -0.079 0.000 0.998 134 E CA 0.227 56.679 56.400 0.087 0.000 0.851 134 E CB -0.863 28.958 29.700 0.202 0.000 0.795 134 E HN 0.114 nan 8.360 nan 0.000 0.492 135 L N 0.170 121.177 121.223 -0.361 0.000 2.017 135 L HA -0.151 4.187 4.340 -0.002 0.000 0.208 135 L C 1.890 178.542 176.870 -0.364 0.000 1.073 135 L CA 1.728 56.161 54.840 -0.679 0.000 0.745 135 L CB -0.310 40.888 42.059 -1.436 0.000 0.894 135 L HN 0.144 nan 8.230 nan 0.000 0.432 136 M N -0.360 119.089 119.600 -0.253 0.000 2.108 136 M HA -0.240 4.239 4.480 -0.002 0.000 0.261 136 M C 2.308 178.543 176.300 -0.108 0.000 1.066 136 M CA 1.590 56.795 55.300 -0.158 0.000 1.107 136 M CB -1.124 31.419 32.600 -0.094 0.000 1.356 136 M HN 0.353 nan 8.290 nan 0.000 0.406 137 K N 0.255 120.606 120.400 -0.082 0.000 2.057 137 K HA -0.123 4.196 4.320 -0.002 0.000 0.207 137 K C 1.909 178.476 176.600 -0.054 0.000 1.049 137 K CA 1.193 57.450 56.287 -0.050 0.000 0.931 137 K CB -0.118 32.367 32.500 -0.025 0.000 0.714 137 K HN 0.259 nan 8.250 nan 0.000 0.440 138 I N 0.918 121.446 120.570 -0.069 0.000 2.226 138 I HA -0.313 3.856 4.170 -0.002 0.000 0.245 138 I C 2.458 178.533 176.117 -0.069 0.000 1.100 138 I CA 0.932 62.200 61.300 -0.055 0.000 1.374 138 I CB -0.158 37.815 38.000 -0.046 0.000 1.057 138 I HN 0.213 nan 8.210 nan 0.000 0.413 139 M N -0.131 119.405 119.600 -0.107 0.000 2.086 139 M HA -0.139 4.340 4.480 -0.002 0.000 0.261 139 M C 2.539 178.794 176.300 -0.075 0.000 1.067 139 M CA 1.588 56.825 55.300 -0.104 0.000 1.116 139 M CB -1.039 31.476 32.600 -0.141 0.000 1.348 139 M HN 0.100 nan 8.290 nan 0.000 0.407 140 V N 0.857 120.731 119.914 -0.067 0.000 2.343 140 V HA -0.272 3.847 4.120 -0.002 0.000 0.247 140 V C 1.979 178.051 176.094 -0.037 0.000 1.051 140 V CA 1.883 64.155 62.300 -0.047 0.000 1.036 140 V CB -0.816 30.984 31.823 -0.039 0.000 0.654 140 V HN 0.345 nan 8.190 nan 0.000 0.451 141 D N 0.253 120.632 120.400 -0.034 0.000 2.117 141 D HA -0.133 4.505 4.640 -0.002 0.000 0.197 141 D C 1.996 178.281 176.300 -0.025 0.000 0.987 141 D CA 1.124 55.109 54.000 -0.025 0.000 0.829 141 D CB -0.481 40.308 40.800 -0.019 0.000 0.961 141 D HN 0.366 nan 8.370 nan 0.000 0.460 142 N N -0.164 118.517 118.700 -0.032 0.000 2.364 142 N HA -0.097 4.642 4.740 -0.002 0.000 0.183 142 N C 1.587 177.077 175.510 -0.033 0.000 1.022 142 N CA 1.241 54.273 53.050 -0.031 0.000 0.883 142 N CB -0.320 38.145 38.487 -0.037 0.000 0.965 142 N HN 0.353 nan 8.380 nan 0.000 0.438 143 T N -3.364 111.168 114.554 -0.036 0.000 3.086 143 T HA 0.228 4.577 4.350 -0.002 0.000 0.250 143 T C 1.070 175.754 174.700 -0.026 0.000 1.074 143 T CA -0.311 61.768 62.100 -0.035 0.000 0.988 143 T CB -0.258 68.586 68.868 -0.041 0.000 0.988 143 T HN 0.073 nan 8.240 nan 0.000 0.530 144 G N 0.590 109.377 108.800 -0.022 0.000 2.391 144 G HA2 0.390 4.348 3.960 -0.002 0.000 0.234 144 G HA3 0.390 4.348 3.960 -0.002 0.000 0.234 144 G C 1.189 176.079 174.900 -0.016 0.000 1.284 144 G CA -0.182 44.908 45.100 -0.017 0.000 0.873 144 G HN 0.440 nan 8.290 nan 0.000 0.549 145 A N 1.394 124.206 122.820 -0.013 0.000 1.978 145 A HA -0.087 4.231 4.320 -0.002 0.000 0.220 145 A C 2.192 179.769 177.584 -0.012 0.000 1.170 145 A CA 1.925 53.954 52.037 -0.013 0.000 0.636 145 A CB -0.166 18.828 19.000 -0.010 0.000 0.810 145 A HN 0.769 nan 8.150 nan 0.000 0.448 146 E N 0.321 120.515 120.200 -0.011 0.000 2.427 146 E HA -0.081 4.268 4.350 -0.002 0.000 0.196 146 E C 0.149 176.743 176.600 -0.010 0.000 1.028 146 E CA 0.154 56.548 56.400 -0.010 0.000 0.864 146 E CB -0.383 29.312 29.700 -0.008 0.000 0.813 146 E HN 0.546 nan 8.360 nan 0.000 0.514 147 Q N 2.076 121.869 119.800 -0.012 0.000 2.474 147 Q HA 0.213 4.551 4.340 -0.002 0.000 0.256 147 Q C -2.030 173.963 176.000 -0.012 0.000 1.048 147 Q CA -1.644 54.152 55.803 -0.012 0.000 0.922 147 Q CB -0.161 28.568 28.738 -0.015 0.000 1.288 147 Q HN 0.141 nan 8.270 nan 0.000 0.484 148 P HA -0.047 nan 4.420 nan 0.000 0.269 148 P C 0.576 177.868 177.300 -0.014 0.000 1.215 148 P CA 0.112 63.206 63.100 -0.011 0.000 0.780 148 P CB 0.559 32.254 31.700 -0.008 0.000 0.898 149 E N 2.797 122.988 120.200 -0.014 0.000 2.048 149 E HA -0.347 4.002 4.350 -0.002 0.000 0.202 149 E C 1.576 178.164 176.600 -0.019 0.000 1.021 149 E CA 1.908 58.298 56.400 -0.017 0.000 0.825 149 E CB -0.311 29.380 29.700 -0.014 0.000 0.756 149 E HN 0.503 nan 8.360 nan 0.000 0.454 150 N N 0.515 119.205 118.700 -0.016 0.000 2.149 150 N HA -0.164 4.575 4.740 -0.002 0.000 0.188 150 N C 1.919 177.416 175.510 -0.022 0.000 1.019 150 N CA 1.792 54.831 53.050 -0.018 0.000 0.857 150 N CB -0.629 37.851 38.487 -0.012 0.000 0.997 150 N HN 0.164 nan 8.380 nan 0.000 0.426 151 V N 1.281 121.183 119.914 -0.020 0.000 2.358 151 V HA -0.141 3.978 4.120 -0.002 0.000 0.246 151 V C 2.575 178.649 176.094 -0.033 0.000 1.047 151 V CA 1.581 63.868 62.300 -0.022 0.000 1.035 151 V CB -0.515 31.298 31.823 -0.016 0.000 0.658 151 V HN 0.303 nan 8.190 nan 0.000 0.452 152 K N -0.142 120.238 120.400 -0.032 0.000 2.057 152 K HA -0.187 4.131 4.320 -0.002 0.000 0.207 152 K C 2.411 178.980 176.600 -0.052 0.000 1.049 152 K CA 1.443 57.706 56.287 -0.040 0.000 0.931 152 K CB -0.224 32.256 32.500 -0.033 0.000 0.714 152 K HN 0.307 nan 8.250 nan 0.000 0.440 153 R N 0.888 121.359 120.500 -0.049 0.000 2.062 153 R HA -0.083 4.256 4.340 -0.002 0.000 0.231 153 R C 2.293 178.543 176.300 -0.083 0.000 1.136 153 R CA 1.390 57.454 56.100 -0.060 0.000 0.948 153 R CB -0.275 29.997 30.300 -0.047 0.000 0.845 153 R HN 0.166 nan 8.270 nan 0.000 0.430 154 A N 0.227 123.004 122.820 -0.070 0.000 1.940 154 A HA -0.133 4.185 4.320 -0.002 0.000 0.219 154 A C 2.183 179.704 177.584 -0.105 0.000 1.176 154 A CA 1.967 53.954 52.037 -0.083 0.000 0.631 154 A CB -0.413 18.558 19.000 -0.048 0.000 0.814 154 A HN 0.449 nan 8.150 nan 0.000 0.446 155 S N -0.310 115.337 115.700 -0.088 0.000 2.371 155 S HA -0.006 4.463 4.470 -0.002 0.000 0.224 155 S C 1.785 176.312 174.600 -0.122 0.000 1.029 155 S CA 1.173 59.316 58.200 -0.096 0.000 0.978 155 S CB -0.389 62.767 63.200 -0.074 0.000 0.833 155 S HN 0.504 nan 8.310 nan 0.000 0.466 156 L N 0.877 122.031 121.223 -0.116 0.000 2.046 156 L HA -0.113 4.226 4.340 -0.002 0.000 0.208 156 L C 2.364 179.121 176.870 -0.188 0.000 1.077 156 L CA 0.762 55.526 54.840 -0.126 0.000 0.747 156 L CB -0.496 41.503 42.059 -0.099 0.000 0.896 156 L HN 0.269 nan 8.230 nan 0.000 0.432 157 L N 0.045 121.123 121.223 -0.242 0.000 1.994 157 L HA -0.181 4.157 4.340 -0.002 0.000 0.208 157 L C 2.659 179.171 176.870 -0.597 0.000 1.071 157 L CA 2.090 56.665 54.840 -0.441 0.000 0.745 157 L CB -0.714 41.087 42.059 -0.431 0.000 0.892 157 L HN 0.160 nan 8.230 nan 0.000 0.431 158 A N -0.602 121.995 122.820 -0.370 0.000 1.883 158 A HA -0.215 4.104 4.320 -0.002 0.000 0.217 158 A C 2.333 179.819 177.584 -0.163 0.000 1.186 158 A CA 2.098 54.001 52.037 -0.224 0.000 0.624 158 A CB -1.038 17.890 19.000 -0.120 0.000 0.822 158 A HN 0.505 nan 8.150 nan 0.000 0.444 159 L N -0.776 120.345 121.223 -0.169 0.000 2.042 159 L HA -0.190 4.149 4.340 -0.002 0.000 0.210 159 L C 2.800 179.585 176.870 -0.142 0.000 1.076 159 L CA 1.214 55.963 54.840 -0.152 0.000 0.749 159 L CB -0.702 41.276 42.059 -0.136 0.000 0.893 159 L HN 0.534 nan 8.230 nan 0.000 0.432 160 G N -1.326 107.387 108.800 -0.145 0.000 2.421 160 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.216 160 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.216 160 G C 1.425 176.353 174.900 0.047 0.000 1.171 160 G CA 0.617 45.669 45.100 -0.080 0.000 0.775 160 G HN 0.370 nan 8.290 nan 0.000 0.543 161 Y N -0.325 119.932 120.300 -0.071 0.000 2.165 161 Y HA -0.135 4.414 4.550 -0.001 0.000 0.286 161 Y C 3.002 178.852 175.900 -0.084 0.000 1.155 161 Y CA 0.962 59.026 58.100 -0.060 0.000 1.164 161 Y CB -0.174 38.260 38.460 -0.043 0.000 0.978 161 Y HN 0.168 nan 8.280 nan 0.000 0.513 162 M N -0.862 118.767 119.600 0.048 0.000 2.117 162 M HA -0.262 4.217 4.480 -0.002 0.000 0.262 162 M C 2.171 178.369 176.300 -0.170 0.000 1.065 162 M CA 1.507 56.769 55.300 -0.064 0.000 1.114 162 M CB -0.288 32.238 32.600 -0.124 0.000 1.361 162 M HN 0.377 nan 8.290 nan 0.000 0.408 163 C N 0.607 119.759 119.300 -0.246 0.000 2.476 163 C HA -0.104 4.355 4.460 -0.002 0.000 0.278 163 C C 2.345 177.216 174.990 -0.198 0.000 1.274 163 C CA 1.356 60.094 59.018 -0.467 0.000 1.713 163 C CB -1.190 26.264 27.740 -0.477 0.000 2.039 163 C HN 0.679 nan 8.230 nan 0.000 0.484 164 E N 0.162 120.332 120.200 -0.050 0.000 2.516 164 E HA -0.060 4.289 4.350 -0.002 0.000 0.199 164 E C 1.611 178.228 176.600 0.029 0.000 1.069 164 E CA 1.203 57.619 56.400 0.026 0.000 0.876 164 E CB -0.273 29.456 29.700 0.049 0.000 0.843 164 E HN 0.401 nan 8.360 nan 0.000 0.530 165 S N -0.982 114.721 115.700 0.006 0.000 2.524 165 S HA 0.471 4.940 4.470 -0.002 0.000 0.222 165 S C 0.793 175.415 174.600 0.037 0.000 1.040 165 S CA 0.009 58.218 58.200 0.015 0.000 0.915 165 S CB 0.106 63.306 63.200 0.001 0.000 0.831 165 S HN 0.517 nan 8.310 nan 0.000 0.492 180 I N 2.583 123.180 120.570 0.046 0.000 2.315 180 I HA -0.158 4.010 4.170 -0.002 0.000 0.248 180 I C 2.440 178.579 176.117 0.036 0.000 1.117 180 I CA 0.851 62.167 61.300 0.027 0.000 1.404 180 I CB 0.067 38.088 38.000 0.036 0.000 1.071 180 I HN 0.539 nan 8.210 nan 0.000 0.419 181 L N 0.693 121.959 121.223 0.071 0.000 2.017 181 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 181 L C 2.484 179.397 176.870 0.070 0.000 1.073 181 L CA 1.729 56.611 54.840 0.070 0.000 0.745 181 L CB -0.159 41.948 42.059 0.080 0.000 0.894 181 L HN 0.125 nan 8.230 nan 0.000 0.432 182 I N -0.070 120.543 120.570 0.071 0.000 2.226 182 I HA -0.279 3.890 4.170 -0.002 0.000 0.245 182 I C 2.775 178.924 176.117 0.053 0.000 1.100 182 I CA 1.006 62.356 61.300 0.084 0.000 1.374 182 I CB -0.618 37.402 38.000 0.034 0.000 1.057 182 I HN 0.384 nan 8.210 nan 0.000 0.413 183 A N 1.320 124.152 122.820 0.020 0.000 1.873 183 A HA -0.222 4.097 4.320 -0.002 0.000 0.218 183 A C 2.287 179.866 177.584 -0.009 0.000 1.193 183 A CA 1.816 53.852 52.037 -0.003 0.000 0.629 183 A CB -0.856 18.130 19.000 -0.023 0.000 0.826 183 A HN 0.393 nan 8.150 nan 0.000 0.447 184 I N -0.717 119.847 120.570 -0.011 0.000 2.233 184 I HA -0.167 4.002 4.170 -0.002 0.000 0.243 184 I C 2.332 178.431 176.117 -0.031 0.000 1.093 184 I CA 0.987 62.270 61.300 -0.029 0.000 1.380 184 I CB -0.366 37.615 38.000 -0.031 0.000 1.067 184 I HN 0.146 nan 8.210 nan 0.000 0.413 185 V N 0.506 120.409 119.914 -0.017 0.000 2.407 185 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 185 V C 2.535 178.611 176.094 -0.032 0.000 1.055 185 V CA 1.560 63.823 62.300 -0.062 0.000 1.049 185 V CB -0.673 31.099 31.823 -0.085 0.000 0.662 185 V HN 0.445 nan 8.190 nan 0.000 0.455 186 Q N 0.376 120.195 119.800 0.032 0.000 2.084 186 Q HA -0.136 4.202 4.340 -0.002 0.000 0.202 186 Q C 2.427 178.423 176.000 -0.007 0.000 0.978 186 Q CA 1.867 57.690 55.803 0.033 0.000 0.844 186 Q CB -0.947 27.815 28.738 0.040 0.000 0.898 186 Q HN 0.677 nan 8.270 nan 0.000 0.426 187 G N 0.244 109.031 108.800 -0.021 0.000 2.498 187 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.219 187 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.219 187 G C 1.233 176.108 174.900 -0.043 0.000 1.119 187 G CA 0.874 45.954 45.100 -0.033 0.000 0.766 187 G HN 0.409 nan 8.290 nan 0.000 0.552 188 A N -0.687 122.100 122.820 -0.055 0.000 2.308 188 A HA 0.321 4.640 4.320 -0.002 0.000 0.217 188 A C 1.275 178.815 177.584 -0.074 0.000 1.216 188 A CA -0.108 51.886 52.037 -0.072 0.000 0.864 188 A CB 0.061 19.002 19.000 -0.098 0.000 0.902 188 A HN 0.284 nan 8.150 nan 0.000 0.499 189 Q N 0.428 120.196 119.800 -0.053 0.000 2.432 189 Q HA 0.097 4.436 4.340 -0.002 0.000 0.264 189 Q C 1.159 177.134 176.000 -0.041 0.000 1.035 189 Q CA 0.480 56.257 55.803 -0.043 0.000 0.908 189 Q CB 0.612 29.342 28.738 -0.013 0.000 1.280 189 Q HN 0.466 nan 8.270 nan 0.000 0.455 190 S N 0.961 116.638 115.700 -0.040 0.000 2.402 190 S HA -0.184 4.285 4.470 -0.002 0.000 0.233 190 S C 1.721 176.307 174.600 -0.024 0.000 1.030 190 S CA 1.965 60.144 58.200 -0.034 0.000 1.003 190 S CB -0.375 62.807 63.200 -0.030 0.000 0.813 190 S HN 0.845 nan 8.310 nan 0.000 0.477 191 T N -0.369 114.175 114.554 -0.018 0.000 3.085 191 T HA 0.050 4.399 4.350 -0.002 0.000 0.263 191 T C 0.509 175.200 174.700 -0.014 0.000 1.127 191 T CA 0.397 62.490 62.100 -0.013 0.000 1.103 191 T CB -0.330 68.534 68.868 -0.007 0.000 0.921 191 T HN 0.250 nan 8.240 nan 0.000 0.510 192 E N 2.134 122.323 120.200 -0.018 0.000 2.299 192 E HA 0.179 4.528 4.350 -0.002 0.000 0.272 192 E C 0.955 177.544 176.600 -0.018 0.000 1.043 192 E CA 0.078 56.467 56.400 -0.019 0.000 0.895 192 E CB 0.674 30.360 29.700 -0.024 0.000 1.011 192 E HN 0.243 nan 8.360 nan 0.000 0.432 193 T N 1.879 116.424 114.554 -0.015 0.000 2.821 193 T HA -0.106 4.243 4.350 -0.002 0.000 0.267 193 T C 0.804 175.496 174.700 -0.014 0.000 1.046 193 T CA 1.181 63.273 62.100 -0.014 0.000 1.139 193 T CB -0.063 68.798 68.868 -0.012 0.000 0.871 193 T HN 0.393 nan 8.240 nan 0.000 0.454 194 S N 1.438 117.129 115.700 -0.016 0.000 2.452 194 S HA 0.242 4.711 4.470 -0.002 0.000 0.284 194 S C 1.297 175.886 174.600 -0.018 0.000 1.171 194 S CA -0.867 57.323 58.200 -0.016 0.000 1.064 194 S CB 1.131 64.320 63.200 -0.017 0.000 0.967 194 S HN 0.504 nan 8.310 nan 0.000 0.484 195 K N 4.939 125.330 120.400 -0.015 0.000 2.057 195 K HA -0.014 4.304 4.320 -0.002 0.000 0.206 195 K C 1.937 178.527 176.600 -0.017 0.000 1.050 195 K CA 1.451 57.728 56.287 -0.015 0.000 0.935 195 K CB -0.664 31.830 32.500 -0.010 0.000 0.715 195 K HN 0.613 nan 8.250 nan 0.000 0.439 196 A N 1.340 124.150 122.820 -0.017 0.000 1.978 196 A HA -0.096 4.223 4.320 -0.002 0.000 0.220 196 A C 2.297 179.864 177.584 -0.028 0.000 1.170 196 A CA 1.761 53.786 52.037 -0.020 0.000 0.636 196 A CB -0.663 18.327 19.000 -0.018 0.000 0.810 196 A HN 0.197 nan 8.150 nan 0.000 0.448 197 V N -0.543 119.353 119.914 -0.029 0.000 2.379 197 V HA -0.182 3.937 4.120 -0.002 0.000 0.245 197 V C 2.584 178.655 176.094 -0.039 0.000 1.044 197 V CA 1.965 64.243 62.300 -0.036 0.000 1.036 197 V CB -0.713 31.090 31.823 -0.033 0.000 0.664 197 V HN 0.513 nan 8.190 nan 0.000 0.453 198 R N -0.685 119.794 120.500 -0.035 0.000 2.075 198 R HA -0.108 4.231 4.340 -0.002 0.000 0.232 198 R C 2.241 178.518 176.300 -0.039 0.000 1.126 198 R CA 1.204 57.281 56.100 -0.039 0.000 0.963 198 R CB -0.412 29.866 30.300 -0.037 0.000 0.858 198 R HN 0.314 nan 8.270 nan 0.000 0.435 199 L N 0.428 121.632 121.223 -0.031 0.000 1.989 199 L HA -0.198 4.141 4.340 -0.002 0.000 0.211 199 L C 2.498 179.347 176.870 -0.034 0.000 1.071 199 L CA 2.069 56.894 54.840 -0.026 0.000 0.749 199 L CB -0.734 41.314 42.059 -0.017 0.000 0.890 199 L HN 0.174 nan 8.230 nan 0.000 0.431 200 A N -0.893 121.900 122.820 -0.044 0.000 1.917 200 A HA -0.242 4.077 4.320 -0.002 0.000 0.219 200 A C 2.447 179.991 177.584 -0.067 0.000 1.182 200 A CA 2.166 54.165 52.037 -0.064 0.000 0.633 200 A CB -1.058 17.897 19.000 -0.076 0.000 0.819 200 A HN 0.461 nan 8.150 nan 0.000 0.448 201 A N -0.486 122.298 122.820 -0.059 0.000 1.873 201 A HA 0.020 4.339 4.320 -0.002 0.000 0.215 201 A C 2.179 179.730 177.584 -0.055 0.000 1.186 201 A CA 1.438 53.440 52.037 -0.059 0.000 0.616 201 A CB -0.605 18.361 19.000 -0.057 0.000 0.823 201 A HN 0.462 nan 8.150 nan 0.000 0.442 202 L N -0.177 121.016 121.223 -0.051 0.000 2.083 202 L HA -0.186 4.153 4.340 -0.002 0.000 0.209 202 L C 2.254 179.107 176.870 -0.028 0.000 1.083 202 L CA 1.104 55.916 54.840 -0.047 0.000 0.752 202 L CB -0.579 41.451 42.059 -0.048 0.000 0.899 202 L HN 0.357 nan 8.230 nan 0.000 0.433 203 N N 0.194 118.880 118.700 -0.023 0.000 2.188 203 N HA -0.109 4.629 4.740 -0.002 0.000 0.184 203 N C 1.878 177.384 175.510 -0.007 0.000 1.018 203 N CA 1.449 54.495 53.050 -0.006 0.000 0.858 203 N CB -0.226 38.259 38.487 -0.004 0.000 0.989 203 N HN 0.296 nan 8.380 nan 0.000 0.426 204 A N 0.861 123.660 122.820 -0.035 0.000 1.930 204 A HA -0.058 4.261 4.320 -0.002 0.000 0.217 204 A C 2.193 179.766 177.584 -0.018 0.000 1.175 204 A CA 0.788 52.799 52.037 -0.042 0.000 0.627 204 A CB -0.607 18.345 19.000 -0.079 0.000 0.815 204 A HN 0.215 nan 8.150 nan 0.000 0.443 205 L N -0.099 121.112 121.223 -0.020 0.000 2.017 205 L HA -0.081 4.257 4.340 -0.002 0.000 0.208 205 L C 2.674 179.556 176.870 0.021 0.000 1.073 205 L CA 2.215 57.049 54.840 -0.009 0.000 0.745 205 L CB -0.875 41.163 42.059 -0.035 0.000 0.894 205 L HN 0.343 nan 8.230 nan 0.000 0.432 206 A N -0.847 121.985 122.820 0.021 0.000 1.877 206 A HA -0.227 4.092 4.320 -0.002 0.000 0.216 206 A C 1.983 179.601 177.584 0.057 0.000 1.186 206 A CA 1.870 53.933 52.037 0.043 0.000 0.620 206 A CB -0.909 18.114 19.000 0.038 0.000 0.822 206 A HN 0.526 nan 8.150 nan 0.000 0.443 207 D N -0.071 120.360 120.400 0.051 0.000 2.221 207 D HA -0.053 4.586 4.640 -0.002 0.000 0.204 207 D C 1.656 177.997 176.300 0.068 0.000 0.982 207 D CA 1.475 55.512 54.000 0.062 0.000 0.857 207 D CB -0.156 40.687 40.800 0.072 0.000 0.934 207 D HN 0.390 nan 8.370 nan 0.000 0.475 208 S N -0.427 115.315 115.700 0.069 0.000 2.556 208 S HA 0.184 4.653 4.470 -0.002 0.000 0.216 208 S C 1.903 176.615 174.600 0.187 0.000 0.970 208 S CA -0.283 57.980 58.200 0.105 0.000 0.912 208 S CB 0.446 63.683 63.200 0.061 0.000 0.790 208 S HN 0.191 nan 8.310 nan 0.000 0.504 209 L N 0.786 122.108 121.223 0.166 0.000 2.141 209 L HA -0.030 4.308 4.340 -0.002 0.000 0.209 209 L C 1.888 178.934 176.870 0.292 0.000 1.094 209 L CA 1.201 56.178 54.840 0.228 0.000 0.763 209 L CB -0.406 41.790 42.059 0.229 0.000 0.908 209 L HN 0.350 nan 8.230 nan 0.000 0.437 210 I N -1.388 119.311 120.570 0.217 0.000 2.286 210 I HA -0.286 3.883 4.170 -0.002 0.000 0.245 210 I C 2.344 178.589 176.117 0.212 0.000 1.104 210 I CA 1.102 62.516 61.300 0.190 0.000 1.397 210 I CB -0.237 37.835 38.000 0.121 0.000 1.072 210 I HN 0.119 nan 8.210 nan 0.000 0.417 211 F N 2.348 122.346 119.950 0.080 0.000 2.161 211 F HA -0.178 4.347 4.527 -0.003 0.000 0.300 211 F C 1.929 177.763 175.800 0.057 0.000 1.089 211 F CA 1.542 59.577 58.000 0.059 0.000 1.282 211 F CB -0.117 38.908 39.000 0.042 0.000 1.010 211 F HN 0.052 nan 8.300 nan 0.000 0.485 212 I N -1.593 119.074 120.570 0.162 0.000 3.812 212 I HA 0.130 4.299 4.170 -0.002 0.000 0.319 212 I C 1.793 177.892 176.117 -0.030 0.000 1.353 212 I CA 0.008 61.328 61.300 0.033 0.000 1.170 212 I CB -0.639 37.429 38.000 0.115 0.000 1.057 212 I HN 0.069 nan 8.210 nan 0.000 0.411 213 K N 1.990 122.405 120.400 0.024 0.000 2.059 213 K HA -0.245 4.074 4.320 -0.002 0.000 0.212 213 K C 1.590 178.173 176.600 -0.029 0.000 1.050 213 K CA 2.310 58.647 56.287 0.083 0.000 0.927 213 K CB -0.050 32.537 32.500 0.144 0.000 0.714 213 K HN 0.445 nan 8.250 nan 0.000 0.447 214 N N 1.115 119.774 118.700 -0.069 0.000 2.223 214 N HA -0.133 4.606 4.740 -0.002 0.000 0.185 214 N C 1.355 176.804 175.510 -0.103 0.000 1.016 214 N CA 1.164 54.169 53.050 -0.076 0.000 0.863 214 N CB -0.463 37.971 38.487 -0.089 0.000 0.983 214 N HN 0.381 nan 8.380 nan 0.000 0.429 215 N N 0.479 119.108 118.700 -0.118 0.000 2.142 215 N HA -0.042 4.697 4.740 -0.002 0.000 0.186 215 N C 1.500 176.897 175.510 -0.189 0.000 1.023 215 N CA 0.813 53.793 53.050 -0.117 0.000 0.852 215 N CB -0.078 38.363 38.487 -0.077 0.000 0.998 215 N HN 0.187 nan 8.380 nan 0.000 0.424 216 M N 1.339 120.771 119.600 -0.280 0.000 2.296 216 M HA -0.053 4.425 4.480 -0.002 0.000 0.265 216 M C 1.237 177.203 176.300 -0.556 0.000 1.064 216 M CA 1.149 56.160 55.300 -0.483 0.000 1.109 216 M CB -0.741 31.333 32.600 -0.877 0.000 1.396 216 M HN 0.136 nan 8.290 nan 0.000 0.430 217 E N -0.253 119.724 120.200 -0.371 0.000 2.502 217 E HA 0.011 4.359 4.350 -0.002 0.000 0.194 217 E C 0.130 176.589 176.600 -0.235 0.000 1.062 217 E CA 0.019 56.219 56.400 -0.334 0.000 0.867 217 E CB 0.233 29.909 29.700 -0.041 0.000 0.888 217 E HN 0.372 nan 8.360 nan 0.000 0.510 218 R N 1.174 121.551 120.500 -0.205 0.000 2.198 218 R HA 0.101 4.440 4.340 -0.002 0.000 0.339 218 R C 0.799 177.017 176.300 -0.136 0.000 1.020 218 R CA -0.122 55.900 56.100 -0.130 0.000 0.864 218 R CB 0.893 31.140 30.300 -0.088 0.000 1.105 218 R HN 0.135 nan 8.270 nan 0.000 0.463 219 E N 2.761 122.899 120.200 -0.103 0.000 2.086 219 E HA -0.245 4.103 4.350 -0.002 0.000 0.200 219 E C 1.731 178.319 176.600 -0.020 0.000 1.012 219 E CA 1.950 58.313 56.400 -0.061 0.000 0.812 219 E CB 0.034 29.722 29.700 -0.019 0.000 0.743 219 E HN 0.882 nan 8.360 nan 0.000 0.453 220 G N 0.544 109.331 108.800 -0.021 0.000 2.446 220 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.217 220 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.217 220 G C 1.333 176.243 174.900 0.018 0.000 1.168 220 G CA 1.023 46.121 45.100 -0.005 0.000 0.771 220 G HN 0.343 nan 8.290 nan 0.000 0.551 221 E N -0.305 119.891 120.200 -0.007 0.000 2.106 221 E HA -0.072 4.277 4.350 -0.002 0.000 0.192 221 E C 2.534 179.150 176.600 0.026 0.000 0.984 221 E CA 0.473 56.894 56.400 0.035 0.000 0.806 221 E CB -0.086 29.607 29.700 -0.013 0.000 0.750 221 E HN 0.366 nan 8.360 nan 0.000 0.458 222 R N 0.925 121.385 120.500 -0.067 0.000 2.073 222 R HA -0.132 4.206 4.340 -0.002 0.000 0.234 222 R C 1.934 178.179 176.300 -0.091 0.000 1.134 222 R CA 1.453 57.472 56.100 -0.135 0.000 0.952 222 R CB 0.015 30.197 30.300 -0.197 0.000 0.850 222 R HN 0.070 nan 8.270 nan 0.000 0.433 223 N N -0.057 118.675 118.700 0.052 0.000 2.104 223 N HA -0.222 4.517 4.740 -0.002 0.000 0.190 223 N C 1.452 176.993 175.510 0.051 0.000 1.024 223 N CA 1.349 54.476 53.050 0.127 0.000 0.853 223 N CB -0.569 38.017 38.487 0.166 0.000 1.008 223 N HN 0.334 nan 8.380 nan 0.000 0.424 224 Y N 1.401 121.665 120.300 -0.061 0.000 2.163 224 Y HA -0.053 4.496 4.550 -0.002 0.000 0.288 224 Y C 2.297 178.136 175.900 -0.102 0.000 1.136 224 Y CA 1.125 59.183 58.100 -0.069 0.000 1.147 224 Y CB -0.732 37.692 38.460 -0.060 0.000 0.987 224 Y HN 0.059 nan 8.280 nan 0.000 0.509 225 L N -0.629 120.385 121.223 -0.348 0.000 2.046 225 L HA -0.235 4.103 4.340 -0.002 0.000 0.208 225 L C 2.196 178.840 176.870 -0.377 0.000 1.077 225 L CA 1.603 56.181 54.840 -0.437 0.000 0.747 225 L CB -0.356 41.543 42.059 -0.267 0.000 0.896 225 L HN 0.275 nan 8.230 nan 0.000 0.432 226 M N -0.718 118.657 119.600 -0.375 0.000 2.117 226 M HA -0.214 4.265 4.480 -0.002 0.000 0.262 226 M C 2.252 178.365 176.300 -0.312 0.000 1.065 226 M CA 1.525 56.562 55.300 -0.438 0.000 1.114 226 M CB -1.247 30.851 32.600 -0.836 0.000 1.361 226 M HN 0.471 nan 8.290 nan 0.000 0.408 227 Q N 0.323 119.981 119.800 -0.236 0.000 2.084 227 Q HA -0.122 4.216 4.340 -0.002 0.000 0.202 227 Q C 1.970 177.853 176.000 -0.195 0.000 0.978 227 Q CA 1.576 57.285 55.803 -0.157 0.000 0.844 227 Q CB -0.013 28.683 28.738 -0.070 0.000 0.898 227 Q HN 0.364 nan 8.270 nan 0.000 0.426 228 V N 0.141 119.886 119.914 -0.282 0.000 2.379 228 V HA -0.192 3.927 4.120 -0.002 0.000 0.245 228 V C 2.527 178.479 176.094 -0.235 0.000 1.044 228 V CA 1.263 63.402 62.300 -0.268 0.000 1.036 228 V CB -0.412 31.185 31.823 -0.377 0.000 0.664 228 V HN 0.139 nan 8.190 nan 0.000 0.453 229 V N -0.885 118.874 119.914 -0.258 0.000 2.343 229 V HA -0.276 3.843 4.120 -0.002 0.000 0.247 229 V C 2.520 178.450 176.094 -0.275 0.000 1.051 229 V CA 2.180 64.333 62.300 -0.245 0.000 1.036 229 V CB -0.765 30.915 31.823 -0.238 0.000 0.654 229 V HN 0.637 nan 8.190 nan 0.000 0.451 230 C N -0.279 118.860 119.300 -0.268 0.000 2.440 230 C HA -0.099 4.360 4.460 -0.002 0.000 0.278 230 C C 2.703 177.559 174.990 -0.222 0.000 1.295 230 C CA 0.464 59.319 59.018 -0.271 0.000 1.738 230 C CB -0.967 26.647 27.740 -0.210 0.000 1.987 230 C HN 0.583 nan 8.230 nan 0.000 0.492 231 E N 1.265 121.361 120.200 -0.173 0.000 2.085 231 E HA -0.194 4.155 4.350 -0.002 0.000 0.194 231 E C 2.407 178.923 176.600 -0.139 0.000 0.994 231 E CA 1.609 57.931 56.400 -0.131 0.000 0.801 231 E CB -0.539 29.097 29.700 -0.106 0.000 0.743 231 E HN 0.686 nan 8.360 nan 0.000 0.453 232 A N 1.463 124.184 122.820 -0.165 0.000 2.019 232 A HA -0.164 4.155 4.320 -0.002 0.000 0.219 232 A C 2.438 179.921 177.584 -0.168 0.000 1.164 232 A CA 2.176 54.124 52.037 -0.149 0.000 0.644 232 A CB -0.931 17.977 19.000 -0.154 0.000 0.805 232 A HN 0.415 nan 8.150 nan 0.000 0.449 233 T N -3.251 111.139 114.554 -0.274 0.000 2.962 233 T HA -0.082 4.267 4.350 -0.002 0.000 0.270 233 T C 1.290 175.913 174.700 -0.127 0.000 1.088 233 T CA 1.302 63.193 62.100 -0.350 0.000 1.127 233 T CB -0.162 68.219 68.868 -0.812 0.000 0.883 233 T HN 0.375 nan 8.240 nan 0.000 0.493 234 Q N 0.911 120.649 119.800 -0.105 0.000 2.222 234 Q HA 0.547 4.886 4.340 -0.002 0.000 0.206 234 Q C 0.701 176.684 176.000 -0.029 0.000 0.877 234 Q CA -0.090 55.687 55.803 -0.042 0.000 0.958 234 Q CB 0.114 28.824 28.738 -0.048 0.000 1.075 234 Q HN 0.743 nan 8.270 nan 0.000 0.483 235 A N 0.828 123.628 122.820 -0.034 0.000 2.406 235 A HA 0.044 4.363 4.320 -0.002 0.000 0.243 235 A C 1.323 178.904 177.584 -0.006 0.000 1.082 235 A CA -0.182 51.840 52.037 -0.024 0.000 0.786 235 A CB 0.593 19.575 19.000 -0.029 0.000 1.029 235 A HN 0.095 nan 8.150 nan 0.000 0.495 236 E N 0.397 120.594 120.200 -0.006 0.000 2.038 236 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 236 E C 0.172 176.775 176.600 0.005 0.000 1.000 236 E CA 1.449 57.849 56.400 -0.000 0.000 0.803 236 E CB -0.196 29.503 29.700 -0.003 0.000 0.750 236 E HN 0.850 nan 8.360 nan 0.000 0.448 237 D N -0.276 120.125 120.400 0.002 0.000 2.383 237 D HA -0.011 4.628 4.640 -0.002 0.000 0.252 237 D C 0.992 177.301 176.300 0.016 0.000 1.166 237 D CA -0.083 53.921 54.000 0.006 0.000 0.879 237 D CB 0.625 41.426 40.800 0.001 0.000 1.164 237 D HN -0.152 nan 8.370 nan 0.000 0.462 238 I N 3.285 123.867 120.570 0.020 0.000 2.226 238 I HA -0.199 3.970 4.170 -0.002 0.000 0.245 238 I C 1.853 177.992 176.117 0.037 0.000 1.100 238 I CA 1.481 62.799 61.300 0.031 0.000 1.374 238 I CB -0.063 37.951 38.000 0.024 0.000 1.057 238 I HN 0.605 nan 8.210 nan 0.000 0.413 239 E N -0.865 119.351 120.200 0.027 0.000 2.208 239 E HA -0.133 4.215 4.350 -0.002 0.000 0.193 239 E C 2.279 178.893 176.600 0.024 0.000 0.988 239 E CA 0.902 57.318 56.400 0.027 0.000 0.828 239 E CB 0.059 29.769 29.700 0.018 0.000 0.763 239 E HN 0.319 nan 8.360 nan 0.000 0.478 240 V N 1.259 121.182 119.914 0.015 0.000 2.323 240 V HA -0.250 3.868 4.120 -0.002 0.000 0.244 240 V C 2.212 178.310 176.094 0.008 0.000 1.041 240 V CA 1.609 63.909 62.300 0.000 0.000 1.025 240 V CB -0.414 31.400 31.823 -0.015 0.000 0.656 240 V HN 0.236 nan 8.190 nan 0.000 0.451 241 Q N 0.018 119.839 119.800 0.036 0.000 2.045 241 Q HA -0.258 4.080 4.340 -0.002 0.000 0.206 241 Q C 2.455 178.561 176.000 0.176 0.000 0.991 241 Q CA 2.047 57.906 55.803 0.093 0.000 0.851 241 Q CB -0.523 28.301 28.738 0.143 0.000 0.911 241 Q HN 0.658 nan 8.270 nan 0.000 0.418 242 A N 1.261 124.166 122.820 0.142 0.000 1.884 242 A HA -0.258 4.061 4.320 -0.002 0.000 0.219 242 A C 2.326 179.988 177.584 0.129 0.000 1.197 242 A CA 2.108 54.231 52.037 0.143 0.000 0.637 242 A CB -1.052 17.997 19.000 0.082 0.000 0.827 242 A HN 0.458 nan 8.150 nan 0.000 0.450 243 A N -0.667 122.193 122.820 0.067 0.000 1.969 243 A HA 0.219 4.538 4.320 -0.002 0.000 0.218 243 A C 2.467 180.056 177.584 0.009 0.000 1.169 243 A CA 1.985 54.043 52.037 0.036 0.000 0.635 243 A CB -0.901 18.105 19.000 0.009 0.000 0.810 243 A HN 1.079 nan 8.150 nan 0.000 0.445 244 A N -0.847 121.955 122.820 -0.031 0.000 1.855 244 A HA 0.014 4.333 4.320 -0.002 0.000 0.215 244 A C 1.914 179.399 177.584 -0.166 0.000 1.191 244 A CA 1.493 53.441 52.037 -0.148 0.000 0.613 244 A CB -0.799 18.044 19.000 -0.261 0.000 0.829 244 A HN 0.436 nan 8.150 nan 0.000 0.442 245 F N 0.657 120.569 119.950 -0.063 0.000 2.161 245 F HA -0.056 4.469 4.527 -0.002 0.000 0.300 245 F C 2.633 178.439 175.800 0.010 0.000 1.089 245 F CA 1.022 58.986 58.000 -0.060 0.000 1.282 245 F CB -0.892 38.082 39.000 -0.045 0.000 1.010 245 F HN 0.283 nan 8.300 nan 0.000 0.485 246 G N -0.829 108.081 108.800 0.182 0.000 2.476 246 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.218 246 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.218 246 G C 1.824 176.779 174.900 0.092 0.000 1.164 246 G CA 1.341 46.514 45.100 0.122 0.000 0.768 246 G HN 0.439 nan 8.290 nan 0.000 0.560 247 C N 0.100 119.426 119.300 0.044 0.000 2.432 247 C HA 0.067 4.526 4.460 -0.002 0.000 0.277 247 C C 2.953 177.973 174.990 0.051 0.000 1.249 247 C CA 0.613 59.646 59.018 0.026 0.000 1.725 247 C CB -1.107 26.614 27.740 -0.032 0.000 2.028 247 C HN 0.453 nan 8.230 nan 0.000 0.477 248 L N -0.018 121.225 121.223 0.032 0.000 2.012 248 L HA -0.240 4.099 4.340 -0.002 0.000 0.210 248 L C 2.740 179.778 176.870 0.279 0.000 1.073 248 L CA 1.639 56.539 54.840 0.100 0.000 0.748 248 L CB -0.824 41.194 42.059 -0.069 0.000 0.891 248 L HN 0.460 nan 8.230 nan 0.000 0.431 249 C N -0.220 119.262 119.300 0.303 0.000 2.413 249 C HA -0.204 4.254 4.460 -0.002 0.000 0.277 249 C C 2.841 177.911 174.990 0.134 0.000 1.228 249 C CA 0.880 60.038 59.018 0.232 0.000 1.731 249 C CB -0.751 27.104 27.740 0.192 0.000 2.042 249 C HN 0.425 nan 8.230 nan 0.000 0.468 250 K N 0.379 120.848 120.400 0.116 0.000 2.026 250 K HA -0.101 4.218 4.320 -0.002 0.000 0.208 250 K C 1.760 178.427 176.600 0.112 0.000 1.048 250 K CA 1.461 57.800 56.287 0.087 0.000 0.929 250 K CB -0.281 32.266 32.500 0.078 0.000 0.713 250 K HN 0.480 nan 8.250 nan 0.000 0.439 251 I N 0.611 121.278 120.570 0.161 0.000 2.163 251 I HA -0.320 3.849 4.170 -0.002 0.000 0.243 251 I C 2.520 178.786 176.117 0.249 0.000 1.085 251 I CA 1.053 62.506 61.300 0.255 0.000 1.347 251 I CB -0.161 37.947 38.000 0.180 0.000 1.044 251 I HN 0.240 nan 8.210 nan 0.000 0.408 252 M N 0.851 120.571 119.600 0.200 0.000 2.149 252 M HA -0.202 4.277 4.480 -0.002 0.000 0.261 252 M C 2.448 178.859 176.300 0.184 0.000 1.064 252 M CA 2.318 57.728 55.300 0.183 0.000 1.102 252 M CB -0.485 32.144 32.600 0.048 0.000 1.369 252 M HN 0.304 nan 8.290 nan 0.000 0.408 253 S N -0.732 115.028 115.700 0.099 0.000 2.446 253 S HA -0.032 4.437 4.470 -0.002 0.000 0.225 253 S C 1.769 176.361 174.600 -0.013 0.000 1.016 253 S CA 0.629 58.855 58.200 0.043 0.000 0.943 253 S CB -0.459 62.742 63.200 0.001 0.000 0.786 253 S HN 0.620 nan 8.310 nan 0.000 0.508 254 K N -0.185 120.164 120.400 -0.086 0.000 2.166 254 K HA 0.099 4.418 4.320 -0.002 0.000 0.201 254 K C 0.144 176.480 176.600 -0.439 0.000 1.052 254 K CA 0.803 56.860 56.287 -0.383 0.000 0.969 254 K CB -0.104 31.947 32.500 -0.748 0.000 0.761 254 K HN 0.518 nan 8.250 nan 0.000 0.459 255 Y N -0.582 119.846 120.300 0.214 0.000 2.698 255 Y HA 0.135 4.685 4.550 -0.000 0.000 0.261 255 Y C 1.149 177.250 175.900 0.334 0.000 1.104 255 Y CA -1.401 56.885 58.100 0.309 0.000 1.145 255 Y CB -0.465 38.199 38.460 0.340 0.000 1.191 255 Y HN 0.040 nan 8.280 nan 0.000 0.564 256 Y N 0.912 121.358 120.300 0.243 0.000 2.132 256 Y HA -0.417 4.133 4.550 0.000 0.000 0.280 256 Y C 2.608 178.700 175.900 0.320 0.000 1.193 256 Y CA 2.539 60.793 58.100 0.258 0.000 1.157 256 Y CB -0.272 38.266 38.460 0.130 0.000 0.966 256 Y HN 0.272 nan 8.280 nan 0.000 0.511 257 T N -0.728 114.006 114.554 0.299 0.000 2.849 257 T HA -0.217 4.132 4.350 -0.002 0.000 0.270 257 T C 1.150 175.846 174.700 -0.006 0.000 1.066 257 T CA 1.734 63.880 62.100 0.076 0.000 1.130 257 T CB -0.627 68.121 68.868 -0.200 0.000 0.864 257 T HN 0.394 nan 8.240 nan 0.000 0.481 258 F N -0.044 120.078 119.950 0.287 0.000 2.693 258 F HA 0.373 4.899 4.527 -0.002 0.000 0.303 258 F C 1.775 177.695 175.800 0.201 0.000 1.097 258 F CA -0.413 57.721 58.000 0.222 0.000 1.330 258 F CB 0.155 39.297 39.000 0.237 0.000 1.067 258 F HN 0.106 nan 8.300 nan 0.000 0.565 259 M N -0.172 119.608 119.600 0.300 0.000 2.541 259 M HA -0.009 4.469 4.480 -0.002 0.000 0.252 259 M C 2.135 178.466 176.300 0.053 0.000 1.125 259 M CA 0.791 56.239 55.300 0.246 0.000 1.091 259 M CB -0.679 32.004 32.600 0.138 0.000 1.420 259 M HN 0.139 nan 8.290 nan 0.000 0.486 260 K N 1.210 121.504 120.400 -0.176 0.000 2.032 260 K HA -0.148 4.170 4.320 -0.002 0.000 0.209 260 K C -0.912 175.560 176.600 -0.213 0.000 1.048 260 K CA 1.528 57.645 56.287 -0.284 0.000 0.927 260 K CB -0.785 31.195 32.500 -0.868 0.000 0.712 260 K HN 0.089 nan 8.250 nan 0.000 0.441 261 P HA -0.159 nan 4.420 nan 0.000 0.215 261 P C 0.641 177.740 177.300 -0.335 0.000 1.153 261 P CA 1.427 64.307 63.100 -0.367 0.000 0.853 261 P CB -0.078 31.294 31.700 -0.546 0.000 0.788 262 Y N -2.143 118.133 120.300 -0.041 0.000 2.286 262 Y HA -0.030 4.519 4.550 -0.002 0.000 0.293 262 Y C 2.498 178.368 175.900 -0.050 0.000 1.124 262 Y CA 0.649 58.724 58.100 -0.043 0.000 1.178 262 Y CB -1.193 37.241 38.460 -0.044 0.000 1.010 262 Y HN -0.157 nan 8.280 nan 0.000 0.536 263 M N 0.296 119.913 119.600 0.029 0.000 2.108 263 M HA -0.217 4.262 4.480 -0.002 0.000 0.261 263 M C 1.888 178.227 176.300 0.067 0.000 1.066 263 M CA 1.685 56.971 55.300 -0.024 0.000 1.107 263 M CB -1.005 31.401 32.600 -0.323 0.000 1.356 263 M HN 0.380 nan 8.290 nan 0.000 0.406 264 E N -0.544 119.664 120.200 0.014 0.000 2.072 264 E HA -0.180 4.169 4.350 -0.002 0.000 0.190 264 E C 2.133 178.748 176.600 0.025 0.000 0.982 264 E CA 0.746 57.151 56.400 0.008 0.000 0.803 264 E CB 0.030 29.710 29.700 -0.033 0.000 0.755 264 E HN 0.456 nan 8.360 nan 0.000 0.453 265 Q N -0.517 119.292 119.800 0.015 0.000 2.061 265 Q HA -0.159 4.180 4.340 -0.002 0.000 0.204 265 Q C 1.488 177.522 176.000 0.057 0.000 0.984 265 Q CA 1.958 57.778 55.803 0.028 0.000 0.846 265 Q CB 0.087 28.845 28.738 0.034 0.000 0.902 265 Q HN 0.327 nan 8.270 nan 0.000 0.421 266 A N -1.796 121.072 122.820 0.080 0.000 1.781 266 A HA 0.156 4.475 4.320 -0.002 0.000 0.180 266 A C 1.632 179.265 177.584 0.082 0.000 1.996 266 A CA -0.076 52.006 52.037 0.076 0.000 1.576 266 A CB -0.663 18.362 19.000 0.042 0.000 1.609 266 A HN 0.155 nan 8.150 nan 0.000 0.304 267 L N -0.642 120.624 121.223 0.072 0.000 2.013 267 L HA -0.224 4.115 4.340 -0.002 0.000 0.212 267 L C 2.418 179.357 176.870 0.115 0.000 1.073 267 L CA 2.564 57.420 54.840 0.025 0.000 0.753 267 L CB -0.426 41.637 42.059 0.006 0.000 0.890 267 L HN 0.698 nan 8.230 nan 0.000 0.432 268 Y N 0.190 120.548 120.300 0.096 0.000 2.070 268 Y HA -0.340 4.208 4.550 -0.002 0.000 0.280 268 Y C 2.441 178.470 175.900 0.215 0.000 1.148 268 Y CA 1.904 60.141 58.100 0.227 0.000 1.125 268 Y CB -0.358 38.225 38.460 0.206 0.000 0.975 268 Y HN 0.169 nan 8.280 nan 0.000 0.492 269 A N 0.119 123.111 122.820 0.287 0.000 2.019 269 A HA -0.145 4.174 4.320 -0.002 0.000 0.219 269 A C 2.045 179.666 177.584 0.062 0.000 1.164 269 A CA 1.791 53.925 52.037 0.161 0.000 0.644 269 A CB -1.205 17.905 19.000 0.184 0.000 0.805 269 A HN 0.682 nan 8.150 nan 0.000 0.449 270 L N -1.237 120.022 121.223 0.059 0.000 2.209 270 L HA 0.033 4.372 4.340 -0.002 0.000 0.207 270 L C 2.218 179.133 176.870 0.075 0.000 1.094 270 L CA 2.500 57.365 54.840 0.041 0.000 0.790 270 L CB -1.706 40.355 42.059 0.004 0.000 0.932 270 L HN 0.297 nan 8.230 nan 0.000 0.447 271 T N -2.340 112.273 114.554 0.098 0.000 2.821 271 T HA -0.058 4.290 4.350 -0.002 0.000 0.267 271 T C 1.903 176.699 174.700 0.161 0.000 1.046 271 T CA 1.250 63.473 62.100 0.205 0.000 1.139 271 T CB -0.601 68.459 68.868 0.320 0.000 0.871 271 T HN 0.206 nan 8.240 nan 0.000 0.454 272 I N 2.877 123.465 120.570 0.029 0.000 2.179 272 I HA -0.004 4.165 4.170 -0.002 0.000 0.242 272 I C 3.105 179.197 176.117 -0.042 0.000 1.088 272 I CA 0.769 62.015 61.300 -0.091 0.000 1.357 272 I CB -1.858 36.016 38.000 -0.210 0.000 1.051 272 I HN 0.383 nan 8.210 nan 0.000 0.409 273 A N 0.165 122.980 122.820 -0.007 0.000 1.877 273 A HA -0.200 4.118 4.320 -0.002 0.000 0.216 273 A C 2.408 179.996 177.584 0.008 0.000 1.186 273 A CA 2.449 54.487 52.037 0.003 0.000 0.620 273 A CB -1.241 17.770 19.000 0.018 0.000 0.822 273 A HN 0.420 nan 8.150 nan 0.000 0.443 274 T N -0.326 114.249 114.554 0.036 0.000 2.881 274 T HA -0.131 4.218 4.350 -0.002 0.000 0.270 274 T C 1.794 176.477 174.700 -0.027 0.000 1.068 274 T CA 1.523 63.641 62.100 0.030 0.000 1.131 274 T CB -0.269 68.660 68.868 0.102 0.000 0.871 274 T HN 0.473 nan 8.240 nan 0.000 0.479 275 M N 0.537 120.119 119.600 -0.029 0.000 2.296 275 M HA -0.025 4.454 4.480 -0.002 0.000 0.265 275 M C 1.592 177.854 176.300 -0.064 0.000 1.064 275 M CA 1.458 56.725 55.300 -0.056 0.000 1.109 275 M CB -0.080 32.481 32.600 -0.065 0.000 1.396 275 M HN 0.057 nan 8.290 nan 0.000 0.430 276 K N -0.270 120.099 120.400 -0.052 0.000 2.487 276 K HA 0.055 4.374 4.320 -0.002 0.000 0.192 276 K C 0.700 177.278 176.600 -0.038 0.000 1.027 276 K CA -0.072 56.186 56.287 -0.048 0.000 1.054 276 K CB -0.117 32.360 32.500 -0.038 0.000 0.824 276 K HN 0.193 nan 8.250 nan 0.000 0.510 277 S N 2.271 117.950 115.700 -0.034 0.000 2.558 277 S HA 0.021 4.490 4.470 -0.002 0.000 0.293 277 S C -1.542 173.041 174.600 -0.028 0.000 1.292 277 S CA -1.285 56.900 58.200 -0.025 0.000 1.063 277 S CB 0.609 63.795 63.200 -0.022 0.000 0.831 277 S HN 0.023 nan 8.310 nan 0.000 0.499 278 P HA -0.025 nan 4.420 nan 0.000 0.230 278 P C 0.075 177.362 177.300 -0.021 0.000 1.158 278 P CA 0.418 63.504 63.100 -0.023 0.000 0.769 278 P CB -0.165 31.524 31.700 -0.018 0.000 0.807 279 N N 0.938 119.628 118.700 -0.017 0.000 2.458 279 N HA -0.001 4.738 4.740 -0.002 0.000 0.270 279 N C 0.349 175.846 175.510 -0.022 0.000 1.102 279 N CA -0.036 53.005 53.050 -0.014 0.000 0.967 279 N CB 0.815 39.299 38.487 -0.006 0.000 1.078 279 N HN -0.223 nan 8.380 nan 0.000 0.471 280 D N 3.538 123.926 120.400 -0.020 0.000 2.097 280 D HA -0.127 4.512 4.640 -0.002 0.000 0.195 280 D C 1.290 177.578 176.300 -0.020 0.000 0.989 280 D CA 1.609 55.595 54.000 -0.024 0.000 0.827 280 D CB 0.291 41.080 40.800 -0.019 0.000 0.966 280 D HN 0.618 nan 8.370 nan 0.000 0.456 281 K N 0.243 120.639 120.400 -0.008 0.000 2.147 281 K HA -0.042 4.277 4.320 -0.002 0.000 0.205 281 K C 2.112 178.697 176.600 -0.026 0.000 1.049 281 K CA 0.503 56.789 56.287 -0.001 0.000 0.936 281 K CB 0.031 32.539 32.500 0.013 0.000 0.722 281 K HN 0.012 nan 8.250 nan 0.000 0.446 282 V N 1.345 121.238 119.914 -0.034 0.000 2.379 282 V HA -0.200 3.919 4.120 -0.002 0.000 0.245 282 V C 2.353 178.361 176.094 -0.144 0.000 1.044 282 V CA 1.943 64.203 62.300 -0.067 0.000 1.036 282 V CB -0.582 31.229 31.823 -0.021 0.000 0.664 282 V HN 0.344 nan 8.190 nan 0.000 0.453 283 A N -0.014 122.749 122.820 -0.095 0.000 1.902 283 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 283 A C 2.481 180.007 177.584 -0.097 0.000 1.181 283 A CA 2.188 54.166 52.037 -0.099 0.000 0.623 283 A CB -0.709 18.251 19.000 -0.067 0.000 0.818 283 A HN 0.518 nan 8.150 nan 0.000 0.443 284 S N 0.135 115.797 115.700 -0.063 0.000 2.370 284 S HA -0.238 4.230 4.470 -0.002 0.000 0.226 284 S C 2.000 176.566 174.600 -0.055 0.000 1.033 284 S CA 1.984 60.174 58.200 -0.017 0.000 1.011 284 S CB -0.531 62.687 63.200 0.030 0.000 0.852 284 S HN 0.620 nan 8.310 nan 0.000 0.457 285 M N 0.723 120.226 119.600 -0.162 0.000 2.080 285 M HA -0.120 4.358 4.480 -0.002 0.000 0.260 285 M C 2.581 178.642 176.300 -0.399 0.000 1.068 285 M CA 1.677 56.820 55.300 -0.262 0.000 1.109 285 M CB -0.991 31.345 32.600 -0.439 0.000 1.342 285 M HN 0.268 nan 8.290 nan 0.000 0.405 286 T N 0.354 114.573 114.554 -0.558 0.000 2.904 286 T HA -0.042 4.306 4.350 -0.002 0.000 0.267 286 T C 1.738 176.513 174.700 0.126 0.000 1.059 286 T CA 0.863 62.733 62.100 -0.384 0.000 1.137 286 T CB -0.083 68.566 68.868 -0.365 0.000 0.879 286 T HN 0.140 nan 8.240 nan 0.000 0.467 287 V N 1.283 121.247 119.914 0.084 0.000 2.343 287 V HA -0.135 3.983 4.120 -0.002 0.000 0.247 287 V C 2.511 178.745 176.094 0.234 0.000 1.051 287 V CA 1.998 64.411 62.300 0.187 0.000 1.036 287 V CB -0.588 31.295 31.823 0.101 0.000 0.654 287 V HN 0.567 nan 8.190 nan 0.000 0.451 288 E N -0.640 119.655 120.200 0.159 0.000 2.070 288 E HA -0.294 4.055 4.350 -0.002 0.000 0.197 288 E C 2.044 178.763 176.600 0.198 0.000 1.004 288 E CA 1.954 58.450 56.400 0.159 0.000 0.805 288 E CB -0.221 29.550 29.700 0.119 0.000 0.744 288 E HN 0.621 nan 8.360 nan 0.000 0.451 289 F N -0.441 119.542 119.950 0.056 0.000 2.102 289 F HA -0.204 4.323 4.527 -0.001 0.000 0.298 289 F C 1.661 177.423 175.800 -0.065 0.000 1.105 289 F CA 1.631 59.626 58.000 -0.010 0.000 1.239 289 F CB -0.435 38.556 39.000 -0.014 0.000 0.991 289 F HN 0.079 nan 8.300 nan 0.000 0.474 290 W N 0.338 121.747 121.300 0.181 0.000 2.402 290 W HA -0.114 4.545 4.660 -0.003 0.000 0.286 290 W C 2.745 179.337 176.519 0.121 0.000 1.221 290 W CA 1.359 58.790 57.345 0.144 0.000 1.257 290 W CB -0.716 28.930 29.460 0.310 0.000 1.120 290 W HN -0.110 nan 8.180 nan 0.000 0.551 291 S N -0.325 115.559 115.700 0.307 0.000 2.368 291 S HA -0.191 4.278 4.470 -0.002 0.000 0.225 291 S C 1.705 176.348 174.600 0.071 0.000 1.030 291 S CA 1.925 60.242 58.200 0.195 0.000 0.999 291 S CB -0.887 62.413 63.200 0.167 0.000 0.844 291 S HN 0.240 nan 8.310 nan 0.000 0.459 292 T N 2.745 117.304 114.554 0.008 0.000 2.684 292 T HA -0.036 4.313 4.350 -0.002 0.000 0.267 292 T C 1.745 176.392 174.700 -0.090 0.000 1.036 292 T CA 1.251 63.318 62.100 -0.054 0.000 1.148 292 T CB -0.473 68.345 68.868 -0.084 0.000 0.863 292 T HN 0.309 nan 8.240 nan 0.000 0.436 293 I N 0.416 120.879 120.570 -0.178 0.000 2.179 293 I HA -0.207 3.961 4.170 -0.002 0.000 0.242 293 I C 2.814 178.937 176.117 0.010 0.000 1.088 293 I CA 0.826 62.073 61.300 -0.088 0.000 1.357 293 I CB -0.449 37.419 38.000 -0.219 0.000 1.051 293 I HN 0.337 nan 8.210 nan 0.000 0.409 294 C N 0.581 119.876 119.300 -0.008 0.000 2.432 294 C HA -0.185 4.274 4.460 -0.002 0.000 0.277 294 C C 2.798 177.753 174.990 -0.059 0.000 1.249 294 C CA 1.252 60.215 59.018 -0.092 0.000 1.725 294 C CB -0.880 26.772 27.740 -0.147 0.000 2.028 294 C HN 0.477 nan 8.230 nan 0.000 0.477 295 E N 0.027 120.208 120.200 -0.033 0.000 2.051 295 E HA -0.191 4.158 4.350 -0.002 0.000 0.192 295 E C 2.240 178.798 176.600 -0.070 0.000 0.991 295 E CA 1.046 57.424 56.400 -0.037 0.000 0.799 295 E CB -0.066 29.618 29.700 -0.027 0.000 0.748 295 E HN 0.539 nan 8.360 nan 0.000 0.449 296 E N 0.516 120.659 120.200 -0.096 0.000 2.058 296 E HA -0.227 4.122 4.350 -0.002 0.000 0.194 296 E C 1.972 178.432 176.600 -0.234 0.000 0.997 296 E CA 1.246 57.535 56.400 -0.185 0.000 0.801 296 E CB -0.105 29.454 29.700 -0.236 0.000 0.746 296 E HN 0.382 nan 8.360 nan 0.000 0.450 297 E N 0.170 120.262 120.200 -0.179 0.000 2.150 297 E HA -0.093 4.255 4.350 -0.002 0.000 0.193 297 E C 2.239 178.782 176.600 -0.095 0.000 0.985 297 E CA 0.356 56.656 56.400 -0.166 0.000 0.814 297 E CB -0.048 29.602 29.700 -0.083 0.000 0.752 297 E HN 0.225 nan 8.360 nan 0.000 0.466 298 I N 1.509 122.051 120.570 -0.046 0.000 2.179 298 I HA -0.282 3.887 4.170 -0.002 0.000 0.242 298 I C 1.812 177.999 176.117 0.116 0.000 1.088 298 I CA 1.130 62.457 61.300 0.045 0.000 1.357 298 I CB -0.148 37.888 38.000 0.059 0.000 1.051 298 I HN 0.029 nan 8.210 nan 0.000 0.409 299 D N 0.832 121.243 120.400 0.018 0.000 2.117 299 D HA -0.149 4.490 4.640 -0.002 0.000 0.197 299 D C 2.244 178.548 176.300 0.007 0.000 0.987 299 D CA 1.362 55.366 54.000 0.007 0.000 0.829 299 D CB -0.236 40.519 40.800 -0.076 0.000 0.961 299 D HN 0.327 nan 8.370 nan 0.000 0.460 300 I N 1.044 121.558 120.570 -0.092 0.000 2.226 300 I HA -0.268 3.900 4.170 -0.002 0.000 0.245 300 I C 2.406 178.491 176.117 -0.053 0.000 1.100 300 I CA 1.058 62.284 61.300 -0.124 0.000 1.374 300 I CB -0.160 37.687 38.000 -0.254 0.000 1.057 300 I HN -0.066 nan 8.210 nan 0.000 0.413 301 A N -0.126 122.670 122.820 -0.039 0.000 1.972 301 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 301 A C 2.129 179.675 177.584 -0.064 0.000 1.169 301 A CA 1.421 53.421 52.037 -0.062 0.000 0.635 301 A CB -0.870 18.078 19.000 -0.087 0.000 0.810 301 A HN 0.390 nan 8.150 nan 0.000 0.446 302 Y N -0.348 119.925 120.300 -0.045 0.000 2.163 302 Y HA -0.173 4.376 4.550 -0.001 0.000 0.288 302 Y C 2.512 178.412 175.900 -0.001 0.000 1.136 302 Y CA 1.884 59.969 58.100 -0.025 0.000 1.147 302 Y CB -0.252 38.193 38.460 -0.025 0.000 0.987 302 Y HN 0.519 nan 8.280 nan 0.000 0.509 303 E N 0.321 120.623 120.200 0.170 0.000 2.058 303 E HA -0.225 4.124 4.350 -0.002 0.000 0.194 303 E C 2.000 178.693 176.600 0.155 0.000 0.997 303 E CA 1.434 57.929 56.400 0.158 0.000 0.801 303 E CB -0.362 29.384 29.700 0.076 0.000 0.746 303 E HN 0.448 nan 8.360 nan 0.000 0.450 304 L N 0.119 121.379 121.223 0.061 0.000 2.201 304 L HA -0.104 4.235 4.340 -0.002 0.000 0.212 304 L C 2.520 179.396 176.870 0.011 0.000 1.105 304 L CA 0.747 55.608 54.840 0.035 0.000 0.775 304 L CB -0.359 41.687 42.059 -0.022 0.000 0.913 304 L HN 0.260 nan 8.230 nan 0.000 0.440 305 A N -0.755 122.051 122.820 -0.023 0.000 1.929 305 A HA -0.211 4.108 4.320 -0.002 0.000 0.216 305 A C 2.193 179.732 177.584 -0.075 0.000 1.176 305 A CA 1.133 53.130 52.037 -0.067 0.000 0.628 305 A CB -0.258 18.668 19.000 -0.123 0.000 0.816 305 A HN 0.396 nan 8.150 nan 0.000 0.444 306 Q N -2.164 117.602 119.800 -0.056 0.000 2.269 306 Q HA 0.098 4.436 4.340 -0.002 0.000 0.201 306 Q C -0.821 174.890 176.000 -0.481 0.000 0.946 306 Q CA 0.543 56.217 55.803 -0.216 0.000 0.877 306 Q CB 0.177 28.833 28.738 -0.137 0.000 0.963 306 Q HN 0.604 nan 8.270 nan 0.000 0.472 307 F N -0.511 119.426 119.950 -0.023 0.000 2.686 307 F HA 0.312 4.836 4.527 -0.005 0.000 0.365 307 F C -2.024 173.755 175.800 -0.034 0.000 1.196 307 F CA -2.076 55.908 58.000 -0.026 0.000 1.198 307 F CB 1.672 40.656 39.000 -0.026 0.000 1.454 307 F HN -0.016 nan 8.300 nan 0.000 0.539 308 P HA -0.119 nan 4.420 nan 0.000 0.223 308 P C 1.054 178.378 177.300 0.040 0.000 1.151 308 P CA 1.041 64.159 63.100 0.029 0.000 0.787 308 P CB 0.315 32.010 31.700 -0.009 0.000 0.788 309 Q N -0.805 119.037 119.800 0.069 0.000 2.222 309 Q HA 0.159 4.497 4.340 -0.002 0.000 0.206 309 Q C 0.302 176.331 176.000 0.048 0.000 0.877 309 Q CA -0.102 55.731 55.803 0.050 0.000 0.958 309 Q CB -0.622 28.145 28.738 0.048 0.000 1.075 309 Q HN 0.009 nan 8.270 nan 0.000 0.483 310 S N 1.275 117.012 115.700 0.062 0.000 2.552 310 S HA 0.044 4.513 4.470 -0.002 0.000 0.289 310 S C -1.265 173.320 174.600 -0.025 0.000 1.304 310 S CA -1.059 57.145 58.200 0.007 0.000 1.063 310 S CB 0.586 63.789 63.200 0.005 0.000 0.848 310 S HN 0.225 nan 8.310 nan 0.000 0.499 311 P HA 0.009 nan 4.420 nan 0.000 0.226 311 P C 0.365 177.624 177.300 -0.069 0.000 1.153 311 P CA 0.072 63.143 63.100 -0.048 0.000 0.777 311 P CB -0.111 31.561 31.700 -0.048 0.000 0.794 312 L N 0.851 122.024 121.223 -0.084 0.000 2.462 312 L HA 0.186 4.525 4.340 -0.002 0.000 0.272 312 L C 0.018 176.807 176.870 -0.135 0.000 1.166 312 L CA 0.292 55.065 54.840 -0.112 0.000 0.880 312 L CB -0.238 41.752 42.059 -0.115 0.000 1.142 312 L HN -0.167 nan 8.230 nan 0.000 0.473 313 Q N 2.841 122.522 119.800 -0.198 0.000 2.337 313 Q HA 0.438 4.777 4.340 -0.002 0.000 0.266 313 Q C -0.704 175.073 176.000 -0.373 0.000 1.023 313 Q CA -0.090 55.559 55.803 -0.257 0.000 0.829 313 Q CB 1.834 30.418 28.738 -0.256 0.000 1.306 313 Q HN 0.764 nan 8.270 nan 0.000 0.449 314 S N 2.627 118.159 115.700 -0.281 0.000 2.565 314 S HA 0.212 4.680 4.470 -0.002 0.000 0.276 314 S C -0.329 174.068 174.600 -0.338 0.000 1.326 314 S CA -0.117 57.925 58.200 -0.263 0.000 1.045 314 S CB 0.301 63.400 63.200 -0.168 0.000 0.918 314 S HN 0.639 nan 8.310 nan 0.000 0.505 315 Y N 2.595 122.782 120.300 -0.187 0.000 2.468 315 Y HA 0.323 4.873 4.550 -0.001 0.000 0.268 315 Y C 1.105 176.712 175.900 -0.489 0.000 1.177 315 Y CA -0.734 57.073 58.100 -0.488 0.000 1.265 315 Y CB -0.601 37.211 38.460 -1.080 0.000 1.103 315 Y HN 0.661 nan 8.280 nan 0.000 0.522 316 N N 0.298 118.898 118.700 -0.166 0.000 2.707 316 N HA -0.248 4.490 4.740 -0.002 0.000 0.253 316 N C 0.424 175.973 175.510 0.065 0.000 0.998 316 N CA 0.866 53.884 53.050 -0.052 0.000 0.751 316 N CB -1.472 36.995 38.487 -0.034 0.000 0.920 316 N HN 0.284 nan 8.380 nan 0.000 0.539 317 F N 0.479 120.586 119.950 0.262 0.000 2.095 317 F HA -0.189 4.337 4.527 -0.002 0.000 0.298 317 F C 2.541 178.616 175.800 0.459 0.000 1.104 317 F CA 1.436 59.645 58.000 0.349 0.000 1.232 317 F CB -0.904 38.291 39.000 0.325 0.000 0.987 317 F HN 0.347 nan 8.300 nan 0.000 0.475 318 A N 0.319 123.453 122.820 0.523 0.000 1.851 318 A HA -0.207 4.112 4.320 -0.002 0.000 0.216 318 A C 2.282 180.017 177.584 0.251 0.000 1.195 318 A CA 1.816 54.033 52.037 0.300 0.000 0.622 318 A CB -1.360 17.488 19.000 -0.254 0.000 0.831 318 A HN 0.379 nan 8.150 nan 0.000 0.444 319 L N -0.014 121.279 121.223 0.117 0.000 2.021 319 L HA -0.261 4.077 4.340 -0.002 0.000 0.215 319 L C 2.680 179.605 176.870 0.091 0.000 1.074 319 L CA 2.289 57.159 54.840 0.050 0.000 0.760 319 L CB -0.189 41.843 42.059 -0.045 0.000 0.889 319 L HN 0.384 nan 8.230 nan 0.000 0.433 320 S N -1.377 114.416 115.700 0.155 0.000 2.423 320 S HA -0.115 4.354 4.470 -0.002 0.000 0.231 320 S C 1.823 176.547 174.600 0.207 0.000 1.014 320 S CA 1.264 59.553 58.200 0.148 0.000 0.965 320 S CB -0.107 63.187 63.200 0.157 0.000 0.785 320 S HN 0.503 nan 8.310 nan 0.000 0.495 321 S N 1.249 117.139 115.700 0.316 0.000 2.528 321 S HA 0.238 4.707 4.470 -0.002 0.000 0.219 321 S C 1.574 176.238 174.600 0.106 0.000 0.985 321 S CA -0.028 58.355 58.200 0.305 0.000 0.914 321 S CB -0.257 63.000 63.200 0.096 0.000 0.776 321 S HN 0.408 nan 8.310 nan 0.000 0.526 322 I N 2.067 122.718 120.570 0.134 0.000 2.113 322 I HA -0.358 3.811 4.170 -0.002 0.000 0.242 322 I C 2.398 178.501 176.117 -0.024 0.000 1.064 322 I CA 1.429 62.758 61.300 0.048 0.000 1.320 322 I CB -0.386 37.680 38.000 0.109 0.000 1.028 322 I HN 0.257 nan 8.210 nan 0.000 0.406 323 K N 0.260 120.678 120.400 0.029 0.000 2.117 323 K HA -0.282 4.037 4.320 -0.002 0.000 0.215 323 K C 1.664 178.250 176.600 -0.023 0.000 1.053 323 K CA 2.336 58.634 56.287 0.018 0.000 0.935 323 K CB -0.175 32.359 32.500 0.057 0.000 0.719 323 K HN 0.436 nan 8.250 nan 0.000 0.460 324 D N -0.922 119.458 120.400 -0.034 0.000 2.414 324 D HA -0.017 4.621 4.640 -0.002 0.000 0.237 324 D C 2.027 178.186 176.300 -0.234 0.000 0.975 324 D CA 0.669 54.614 54.000 -0.093 0.000 0.917 324 D CB -0.046 40.729 40.800 -0.041 0.000 1.061 324 D HN -0.071 nan 8.370 nan 0.000 0.480 325 V N 1.231 120.923 119.914 -0.370 0.000 2.379 325 V HA -0.148 3.970 4.120 -0.002 0.000 0.245 325 V C 2.621 178.394 176.094 -0.536 0.000 1.044 325 V CA 0.951 62.901 62.300 -0.583 0.000 1.036 325 V CB -0.184 31.076 31.823 -0.939 0.000 0.664 325 V HN 0.011 nan 8.190 nan 0.000 0.453 326 V N 0.296 119.918 119.914 -0.486 0.000 2.307 326 V HA -0.114 4.005 4.120 -0.002 0.000 0.245 326 V C 0.070 175.969 176.094 -0.325 0.000 1.045 326 V CA 2.300 64.331 62.300 -0.449 0.000 1.024 326 V CB -1.724 29.896 31.823 -0.339 0.000 0.651 326 V HN 0.507 nan 8.190 nan 0.000 0.449 327 P HA -0.110 nan 4.420 nan 0.000 0.216 327 P C 1.191 178.370 177.300 -0.202 0.000 1.150 327 P CA 1.359 64.349 63.100 -0.183 0.000 0.837 327 P CB -0.119 31.517 31.700 -0.105 0.000 0.786 328 N N -0.841 117.731 118.700 -0.215 0.000 2.142 328 N HA -0.066 4.673 4.740 -0.002 0.000 0.186 328 N C 1.790 177.168 175.510 -0.219 0.000 1.023 328 N CA 0.941 53.876 53.050 -0.192 0.000 0.852 328 N CB -1.032 37.341 38.487 -0.190 0.000 0.998 328 N HN 0.165 nan 8.380 nan 0.000 0.424 329 L N 0.602 121.655 121.223 -0.282 0.000 2.012 329 L HA -0.138 4.201 4.340 -0.002 0.000 0.210 329 L C 2.165 178.853 176.870 -0.304 0.000 1.073 329 L CA 0.955 55.631 54.840 -0.274 0.000 0.748 329 L CB -0.506 41.355 42.059 -0.330 0.000 0.891 329 L HN 0.129 nan 8.230 nan 0.000 0.431 330 L N -0.242 120.733 121.223 -0.414 0.000 2.042 330 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 330 L C 2.335 178.880 176.870 -0.542 0.000 1.076 330 L CA 1.562 55.984 54.840 -0.696 0.000 0.749 330 L CB -0.657 40.772 42.059 -1.051 0.000 0.893 330 L HN 0.378 nan 8.230 nan 0.000 0.432 331 N N 0.453 118.986 118.700 -0.278 0.000 2.166 331 N HA -0.179 4.559 4.740 -0.002 0.000 0.186 331 N C 1.765 177.218 175.510 -0.096 0.000 1.019 331 N CA 1.224 54.220 53.050 -0.091 0.000 0.856 331 N CB -0.171 38.281 38.487 -0.059 0.000 0.993 331 N HN 0.251 nan 8.380 nan 0.000 0.426 332 L N 0.072 121.212 121.223 -0.138 0.000 2.362 332 L HA -0.055 4.284 4.340 -0.002 0.000 0.219 332 L C 1.872 178.667 176.870 -0.124 0.000 1.134 332 L CA 0.374 55.142 54.840 -0.120 0.000 0.807 332 L CB -0.342 41.644 42.059 -0.121 0.000 0.927 332 L HN 0.297 nan 8.230 nan 0.000 0.447 333 L N -0.232 120.907 121.223 -0.141 0.000 2.191 333 L HA -0.146 4.193 4.340 -0.002 0.000 0.212 333 L C 2.320 179.143 176.870 -0.077 0.000 1.103 333 L CA 1.571 56.343 54.840 -0.114 0.000 0.769 333 L CB -0.772 41.222 42.059 -0.109 0.000 0.908 333 L HN 0.419 nan 8.230 nan 0.000 0.438 334 T N -3.291 111.229 114.554 -0.057 0.000 3.317 334 T HA 0.043 4.392 4.350 -0.002 0.000 0.250 334 T C 1.070 175.680 174.700 -0.149 0.000 1.106 334 T CA -0.171 61.868 62.100 -0.102 0.000 0.986 334 T CB -0.275 68.550 68.868 -0.072 0.000 1.010 334 T HN 0.267 nan 8.240 nan 0.000 0.560 335 R N 1.292 121.717 120.500 -0.125 0.000 3.311 335 R HA 0.275 4.614 4.340 -0.002 0.000 0.332 335 R C -0.350 175.886 176.300 -0.107 0.000 1.317 335 R CA -0.387 55.645 56.100 -0.115 0.000 1.192 335 R CB 0.219 30.464 30.300 -0.092 0.000 1.454 335 R HN 0.449 nan 8.270 nan 0.000 0.605 336 Q N 0.692 120.422 119.800 -0.117 0.000 2.535 336 Q HA 0.035 4.374 4.340 -0.002 0.000 0.228 336 Q C 0.199 176.209 176.000 0.017 0.000 1.062 336 Q CA 0.063 55.838 55.803 -0.047 0.000 0.967 336 Q CB 0.401 29.160 28.738 0.036 0.000 1.273 336 Q HN 0.058 nan 8.270 nan 0.000 0.554 337 N N 1.162 119.890 118.700 0.047 0.000 2.488 337 N HA -0.038 4.701 4.740 -0.002 0.000 0.274 337 N C 0.254 175.877 175.510 0.189 0.000 1.111 337 N CA 0.100 53.196 53.050 0.076 0.000 0.974 337 N CB 0.818 39.320 38.487 0.024 0.000 1.089 337 N HN 0.522 nan 8.380 nan 0.000 0.465 338 E N 1.053 121.375 120.200 0.205 0.000 2.085 338 E HA -0.191 4.158 4.350 -0.002 0.000 0.194 338 E C -0.297 176.326 176.600 0.038 0.000 0.994 338 E CA 1.168 57.708 56.400 0.234 0.000 0.801 338 E CB -0.027 29.779 29.700 0.177 0.000 0.743 338 E HN 0.607 nan 8.360 nan 0.000 0.453 339 D N 0.804 121.218 120.400 0.022 0.000 2.338 339 D HA 0.003 4.642 4.640 -0.002 0.000 0.255 339 D C -1.568 174.702 176.300 -0.051 0.000 1.237 339 D CA -1.998 51.990 54.000 -0.019 0.000 0.883 339 D CB 1.159 41.963 40.800 0.005 0.000 1.087 339 D HN -0.100 nan 8.370 nan 0.000 0.485 340 P HA -0.129 nan 4.420 nan 0.000 0.225 340 P C 0.797 178.051 177.300 -0.075 0.000 1.148 340 P CA 0.757 63.772 63.100 -0.142 0.000 0.779 340 P CB 0.445 32.017 31.700 -0.213 0.000 0.780 341 E N -0.435 119.758 120.200 -0.011 0.000 2.474 341 E HA -0.024 4.324 4.350 -0.002 0.000 0.194 341 E C 0.318 176.954 176.600 0.059 0.000 1.041 341 E CA -0.204 56.231 56.400 0.059 0.000 0.874 341 E CB -0.041 29.705 29.700 0.077 0.000 0.914 341 E HN 0.029 nan 8.360 nan 0.000 0.498 342 D N 1.119 121.537 120.400 0.029 0.000 2.316 342 D HA -0.034 4.605 4.640 -0.002 0.000 0.245 342 D C -0.532 175.787 176.300 0.031 0.000 1.171 342 D CA -0.233 53.787 54.000 0.033 0.000 0.856 342 D CB 0.995 41.809 40.800 0.023 0.000 1.090 342 D HN 0.070 nan 8.370 nan 0.000 0.476 343 D N 2.018 122.450 120.400 0.055 0.000 2.525 343 D HA 0.084 4.723 4.640 -0.002 0.000 0.229 343 D C -0.389 175.960 176.300 0.082 0.000 1.202 343 D CA -0.475 53.562 54.000 0.062 0.000 0.828 343 D CB 0.047 40.902 40.800 0.092 0.000 1.008 343 D HN 0.132 nan 8.370 nan 0.000 0.493 344 D N 0.218 120.661 120.400 0.072 0.000 2.313 344 D HA 0.024 4.663 4.640 -0.002 0.000 0.247 344 D C -0.042 176.338 176.300 0.132 0.000 1.094 344 D CA -0.330 53.737 54.000 0.111 0.000 0.925 344 D CB 1.154 42.006 40.800 0.087 0.000 1.188 344 D HN 0.217 nan 8.370 nan 0.000 0.430 345 W N 2.910 124.208 121.300 -0.003 0.000 2.216 345 W HA 0.033 4.692 4.660 -0.001 0.000 0.326 345 W C 0.043 176.557 176.519 -0.008 0.000 1.319 345 W CA 0.026 57.365 57.345 -0.009 0.000 1.213 345 W CB 0.481 29.937 29.460 -0.006 0.000 1.171 345 W HN 0.457 nan 8.180 nan 0.000 0.557 346 N N 2.346 120.870 118.700 -0.295 0.000 2.774 346 N HA 0.122 4.861 4.740 -0.002 0.000 0.264 346 N C -0.067 175.304 175.510 -0.231 0.000 1.415 346 N CA -0.819 52.139 53.050 -0.154 0.000 0.815 346 N CB 1.694 40.105 38.487 -0.126 0.000 1.514 346 N HN 0.239 nan 8.380 nan 0.000 0.523 347 V N 1.260 121.111 119.914 -0.104 0.000 2.380 347 V HA -0.299 3.820 4.120 -0.002 0.000 0.251 347 V C 2.547 178.553 176.094 -0.148 0.000 1.063 347 V CA 3.178 65.429 62.300 -0.082 0.000 1.055 347 V CB -0.972 30.817 31.823 -0.056 0.000 0.657 347 V HN 0.863 nan 8.190 nan 0.000 0.455 348 S N -0.623 114.961 115.700 -0.193 0.000 2.382 348 S HA -0.259 4.210 4.470 -0.002 0.000 0.228 348 S C 1.950 176.372 174.600 -0.297 0.000 1.027 348 S CA 2.103 60.177 58.200 -0.209 0.000 0.991 348 S CB -0.594 62.495 63.200 -0.185 0.000 0.823 348 S HN 0.613 nan 8.310 nan 0.000 0.469 349 M N 1.535 120.828 119.600 -0.512 0.000 2.254 349 M HA 0.006 4.485 4.480 -0.002 0.000 0.265 349 M C 2.480 178.506 176.300 -0.457 0.000 1.066 349 M CA 1.213 56.035 55.300 -0.797 0.000 1.123 349 M CB -0.484 31.110 32.600 -1.676 0.000 1.388 349 M HN 0.337 nan 8.290 nan 0.000 0.425 350 S N 0.699 116.281 115.700 -0.196 0.000 2.368 350 S HA -0.086 4.383 4.470 -0.002 0.000 0.225 350 S C 2.111 176.771 174.600 0.099 0.000 1.030 350 S CA 1.303 59.643 58.200 0.233 0.000 0.999 350 S CB -0.365 62.996 63.200 0.268 0.000 0.844 350 S HN 0.560 nan 8.310 nan 0.000 0.459 351 A N 1.585 124.391 122.820 -0.023 0.000 1.902 351 A HA 0.059 4.378 4.320 -0.002 0.000 0.217 351 A C 2.327 179.886 177.584 -0.041 0.000 1.181 351 A CA 1.769 53.776 52.037 -0.049 0.000 0.623 351 A CB -1.452 17.481 19.000 -0.112 0.000 0.818 351 A HN 0.513 nan 8.150 nan 0.000 0.443 352 G N -0.464 108.296 108.800 -0.067 0.000 2.433 352 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.216 352 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.216 352 G C 1.804 176.743 174.900 0.064 0.000 1.186 352 G CA 1.609 46.689 45.100 -0.034 0.000 0.779 352 G HN 0.836 nan 8.290 nan 0.000 0.543 353 A N -0.147 122.746 122.820 0.123 0.000 1.917 353 A HA -0.202 4.117 4.320 -0.002 0.000 0.219 353 A C 2.617 180.313 177.584 0.187 0.000 1.182 353 A CA 2.083 54.243 52.037 0.206 0.000 0.633 353 A CB -1.252 17.947 19.000 0.332 0.000 0.819 353 A HN 0.557 nan 8.150 nan 0.000 0.448 354 C N -1.411 117.998 119.300 0.183 0.000 2.457 354 C HA 0.060 4.518 4.460 -0.002 0.000 0.278 354 C C 2.456 177.607 174.990 0.268 0.000 1.309 354 C CA 1.001 60.163 59.018 0.240 0.000 1.735 354 C CB -1.421 26.458 27.740 0.232 0.000 1.992 354 C HN 0.583 nan 8.230 nan 0.000 0.493 355 L N 1.176 122.471 121.223 0.121 0.000 2.083 355 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 355 L C 2.581 179.543 176.870 0.154 0.000 1.083 355 L CA 1.942 56.825 54.840 0.072 0.000 0.752 355 L CB -0.792 41.250 42.059 -0.028 0.000 0.899 355 L HN 0.451 nan 8.230 nan 0.000 0.433 356 Q N -1.017 118.876 119.800 0.154 0.000 2.079 356 Q HA -0.178 4.161 4.340 -0.002 0.000 0.200 356 Q C 2.303 178.396 176.000 0.155 0.000 0.974 356 Q CA 1.645 57.537 55.803 0.148 0.000 0.840 356 Q CB -0.256 28.574 28.738 0.154 0.000 0.898 356 Q HN 0.506 nan 8.270 nan 0.000 0.430 357 L N -0.342 120.987 121.223 0.176 0.000 2.012 357 L HA -0.211 4.128 4.340 -0.002 0.000 0.210 357 L C 2.274 179.219 176.870 0.125 0.000 1.073 357 L CA 1.308 56.229 54.840 0.136 0.000 0.748 357 L CB -0.489 41.648 42.059 0.130 0.000 0.891 357 L HN 0.164 nan 8.230 nan 0.000 0.431 358 F N -0.100 119.891 119.950 0.067 0.000 2.126 358 F HA -0.294 4.232 4.527 -0.001 0.000 0.299 358 F C 2.571 178.399 175.800 0.048 0.000 1.096 358 F CA 1.400 59.435 58.000 0.058 0.000 1.255 358 F CB -0.420 38.598 39.000 0.030 0.000 0.997 358 F HN 0.045 nan 8.300 nan 0.000 0.479 359 A N -0.533 122.414 122.820 0.211 0.000 1.898 359 A HA -0.238 4.081 4.320 -0.002 0.000 0.216 359 A C 2.058 179.694 177.584 0.086 0.000 1.181 359 A CA 1.657 53.767 52.037 0.122 0.000 0.620 359 A CB -0.771 18.276 19.000 0.079 0.000 0.819 359 A HN 0.458 nan 8.150 nan 0.000 0.442 360 Q N -0.829 119.018 119.800 0.079 0.000 2.124 360 Q HA -0.205 4.134 4.340 -0.002 0.000 0.202 360 Q C 2.102 178.129 176.000 0.045 0.000 0.977 360 Q CA 1.609 57.449 55.803 0.062 0.000 0.850 360 Q CB -0.224 28.556 28.738 0.069 0.000 0.901 360 Q HN 0.725 nan 8.270 nan 0.000 0.429 361 N N -0.397 118.319 118.700 0.025 0.000 2.173 361 N HA -0.081 4.657 4.740 -0.002 0.000 0.184 361 N C 0.922 176.440 175.510 0.013 0.000 1.025 361 N CA 1.196 54.239 53.050 -0.011 0.000 0.852 361 N CB 0.032 38.461 38.487 -0.097 0.000 0.998 361 N HN 0.188 nan 8.380 nan 0.000 0.427 362 C N -0.506 118.828 119.300 0.057 0.000 3.038 362 C HA 0.578 5.037 4.460 -0.002 0.000 0.279 362 C C 1.490 176.588 174.990 0.179 0.000 1.276 362 C CA -0.267 58.817 59.018 0.110 0.000 1.697 362 C CB -1.027 26.800 27.740 0.146 0.000 2.032 362 C HN 0.623 nan 8.230 nan 0.000 0.636 363 G N 2.607 111.477 108.800 0.116 0.000 2.652 363 G HA2 -0.395 3.564 3.960 -0.002 0.000 0.318 363 G HA3 -0.395 3.564 3.960 -0.002 0.000 0.318 363 G C 0.798 175.745 174.900 0.079 0.000 1.295 363 G CA 1.033 46.186 45.100 0.088 0.000 0.999 363 G HN 0.369 nan 8.290 nan 0.000 0.548 364 N N 0.423 119.141 118.700 0.030 0.000 2.348 364 N HA -0.067 4.672 4.740 -0.002 0.000 0.185 364 N C 1.711 177.180 175.510 -0.068 0.000 1.019 364 N CA 1.697 54.723 53.050 -0.040 0.000 0.880 364 N CB -0.510 37.913 38.487 -0.107 0.000 0.965 364 N HN 0.724 nan 8.380 nan 0.000 0.437 365 H N -0.587 118.502 119.070 0.031 0.000 2.491 365 H HA 0.053 4.608 4.556 -0.002 0.000 0.290 365 H C 1.649 176.998 175.328 0.035 0.000 1.050 365 H CA 0.469 56.539 56.048 0.037 0.000 1.309 365 H CB 0.098 29.891 29.762 0.052 0.000 1.392 365 H HN 0.097 nan 8.280 nan 0.000 0.554 366 I N 0.032 120.684 120.570 0.136 0.000 2.761 366 I HA -0.114 4.055 4.170 -0.002 0.000 0.261 366 I C 1.528 177.647 176.117 0.004 0.000 1.198 366 I CA 0.757 62.103 61.300 0.077 0.000 1.482 366 I CB -0.129 37.919 38.000 0.079 0.000 1.100 366 I HN 0.216 nan 8.210 nan 0.000 0.445 367 L N -0.077 121.135 121.223 -0.019 0.000 1.994 367 L HA -0.240 4.099 4.340 -0.002 0.000 0.208 367 L C 2.490 179.297 176.870 -0.104 0.000 1.071 367 L CA 1.864 56.650 54.840 -0.089 0.000 0.745 367 L CB -0.784 41.221 42.059 -0.089 0.000 0.892 367 L HN 0.305 nan 8.230 nan 0.000 0.431 368 E N 0.295 120.462 120.200 -0.055 0.000 2.023 368 E HA -0.220 4.129 4.350 -0.002 0.000 0.196 368 E C -0.562 176.024 176.600 -0.023 0.000 1.003 368 E CA 1.810 58.188 56.400 -0.038 0.000 0.809 368 E CB -0.703 28.995 29.700 -0.003 0.000 0.755 368 E HN 0.322 nan 8.360 nan 0.000 0.449 369 P HA -0.099 nan 4.420 nan 0.000 0.217 369 P C 1.708 179.008 177.300 0.000 0.000 1.151 369 P CA 0.966 64.060 63.100 -0.009 0.000 0.828 369 P CB -0.033 31.646 31.700 -0.035 0.000 0.788 370 V N 0.422 120.320 119.914 -0.027 0.000 2.358 370 V HA -0.198 3.921 4.120 -0.002 0.000 0.246 370 V C 2.743 178.879 176.094 0.070 0.000 1.047 370 V CA 1.567 63.864 62.300 -0.004 0.000 1.035 370 V CB -1.243 30.552 31.823 -0.046 0.000 0.658 370 V HN 0.005 nan 8.190 nan 0.000 0.452 371 L N -0.441 120.776 121.223 -0.011 0.000 2.275 371 L HA -0.132 4.206 4.340 -0.002 0.000 0.215 371 L C 2.452 179.345 176.870 0.038 0.000 1.119 371 L CA 1.190 56.022 54.840 -0.014 0.000 0.790 371 L CB -0.558 41.364 42.059 -0.227 0.000 0.919 371 L HN 0.398 nan 8.230 nan 0.000 0.443 372 E N -0.173 120.058 120.200 0.050 0.000 2.072 372 E HA -0.234 4.115 4.350 -0.002 0.000 0.191 372 E C 1.987 178.642 176.600 0.092 0.000 0.985 372 E CA 1.312 57.748 56.400 0.061 0.000 0.801 372 E CB -0.121 29.613 29.700 0.056 0.000 0.750 372 E HN 0.396 nan 8.360 nan 0.000 0.452 373 F N 1.019 120.960 119.950 -0.015 0.000 2.113 373 F HA -0.195 4.331 4.527 -0.002 0.000 0.297 373 F C 2.076 177.877 175.800 0.003 0.000 1.103 373 F CA 0.957 58.949 58.000 -0.014 0.000 1.248 373 F CB -0.121 38.865 39.000 -0.024 0.000 0.999 373 F HN -0.202 nan 8.300 nan 0.000 0.475 374 V N 0.771 120.812 119.914 0.212 0.000 2.255 374 V HA -0.344 3.775 4.120 -0.002 0.000 0.247 374 V C 2.407 178.486 176.094 -0.025 0.000 1.051 374 V CA 2.368 64.738 62.300 0.117 0.000 1.018 374 V CB -0.861 31.105 31.823 0.238 0.000 0.641 374 V HN 0.467 nan 8.190 nan 0.000 0.445 375 E N -0.262 119.938 120.200 0.002 0.000 2.130 375 E HA -0.347 4.002 4.350 -0.002 0.000 0.196 375 E C 2.212 178.768 176.600 -0.075 0.000 0.998 375 E CA 1.869 58.255 56.400 -0.023 0.000 0.806 375 E CB -0.055 29.652 29.700 0.011 0.000 0.738 375 E HN 0.609 nan 8.360 nan 0.000 0.459 376 Q N -0.066 119.659 119.800 -0.124 0.000 2.230 376 Q HA -0.011 4.327 4.340 -0.002 0.000 0.202 376 Q C 1.195 177.056 176.000 -0.231 0.000 0.963 376 Q CA 1.244 56.947 55.803 -0.167 0.000 0.866 376 Q CB 0.330 28.953 28.738 -0.191 0.000 0.931 376 Q HN 0.229 nan 8.270 nan 0.000 0.452 377 N N -1.090 117.423 118.700 -0.312 0.000 2.257 377 N HA 0.094 4.833 4.740 -0.002 0.000 0.200 377 N C 1.158 176.558 175.510 -0.183 0.000 1.163 377 N CA 0.063 52.917 53.050 -0.327 0.000 0.891 377 N CB 0.433 38.547 38.487 -0.621 0.000 1.067 377 N HN 0.230 nan 8.380 nan 0.000 0.497 378 I N 1.637 122.128 120.570 -0.132 0.000 2.454 378 I HA -0.184 3.985 4.170 -0.002 0.000 0.254 378 I C 1.189 177.269 176.117 -0.063 0.000 1.156 378 I CA 1.308 62.563 61.300 -0.076 0.000 1.433 378 I CB 0.184 38.142 38.000 -0.070 0.000 1.082 378 I HN 0.081 nan 8.210 nan 0.000 0.432 379 T N -1.779 112.733 114.554 -0.070 0.000 3.215 379 T HA 0.537 4.886 4.350 -0.002 0.000 0.271 379 T C 0.506 175.173 174.700 -0.054 0.000 1.012 379 T CA -0.100 61.969 62.100 -0.052 0.000 0.899 379 T CB -0.116 68.725 68.868 -0.045 0.000 1.089 379 T HN 0.212 nan 8.240 nan 0.000 0.552 380 A N 1.274 124.050 122.820 -0.073 0.000 2.406 380 A HA 0.360 4.679 4.320 -0.002 0.000 0.243 380 A C 1.150 178.708 177.584 -0.044 0.000 1.082 380 A CA -0.297 51.695 52.037 -0.074 0.000 0.786 380 A CB 0.163 19.096 19.000 -0.112 0.000 1.029 380 A HN 0.302 nan 8.150 nan 0.000 0.495 381 D N -0.110 120.266 120.400 -0.040 0.000 2.234 381 D HA -0.052 4.587 4.640 -0.002 0.000 0.205 381 D C 0.603 176.903 176.300 0.000 0.000 0.962 381 D CA 1.004 54.995 54.000 -0.015 0.000 0.855 381 D CB -0.203 40.587 40.800 -0.017 0.000 0.951 381 D HN 0.692 nan 8.370 nan 0.000 0.500 382 N N 1.192 119.867 118.700 -0.041 0.000 2.422 382 N HA -0.014 4.725 4.740 -0.002 0.000 0.264 382 N C 1.664 177.131 175.510 -0.071 0.000 1.063 382 N CA -0.634 52.369 53.050 -0.079 0.000 0.959 382 N CB 0.855 39.239 38.487 -0.172 0.000 1.087 382 N HN 0.098 nan 8.380 nan 0.000 0.483 383 W N 5.039 126.317 121.300 -0.037 0.000 2.321 383 W HA -0.230 4.429 4.660 -0.003 0.000 0.306 383 W C 0.927 177.425 176.519 -0.035 0.000 1.217 383 W CA 0.577 57.900 57.345 -0.038 0.000 1.257 383 W CB -0.619 28.817 29.460 -0.040 0.000 1.145 383 W HN 0.595 nan 8.180 nan 0.000 0.509 384 R N 0.865 120.791 120.500 -0.957 0.000 2.103 384 R HA -0.181 4.158 4.340 -0.002 0.000 0.242 384 R C 2.134 178.250 176.300 -0.305 0.000 1.142 384 R CA 2.118 57.712 56.100 -0.842 0.000 0.960 384 R CB -0.649 29.097 30.300 -0.923 0.000 0.858 384 R HN 0.357 nan 8.270 nan 0.000 0.439 385 N N 0.209 118.768 118.700 -0.235 0.000 2.270 385 N HA -0.094 4.644 4.740 -0.002 0.000 0.181 385 N C 1.744 177.199 175.510 -0.091 0.000 1.016 385 N CA 0.786 53.745 53.050 -0.150 0.000 0.870 385 N CB -0.008 38.371 38.487 -0.179 0.000 0.979 385 N HN 0.279 nan 8.380 nan 0.000 0.431 386 R N 1.072 121.548 120.500 -0.040 0.000 2.073 386 R HA -0.035 4.304 4.340 -0.002 0.000 0.229 386 R C 2.058 178.394 176.300 0.061 0.000 1.120 386 R CA 0.670 56.776 56.100 0.011 0.000 0.967 386 R CB -0.159 30.169 30.300 0.046 0.000 0.862 386 R HN 0.233 nan 8.270 nan 0.000 0.436 387 E N 1.187 121.449 120.200 0.104 0.000 2.077 387 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 387 E C 1.844 178.504 176.600 0.100 0.000 0.989 387 E CA 1.387 57.861 56.400 0.124 0.000 0.800 387 E CB 0.001 29.825 29.700 0.207 0.000 0.746 387 E HN 0.276 nan 8.360 nan 0.000 0.452 388 A N 1.371 124.244 122.820 0.089 0.000 1.940 388 A HA -0.127 4.192 4.320 -0.002 0.000 0.219 388 A C 2.464 180.219 177.584 0.286 0.000 1.176 388 A CA 2.238 54.376 52.037 0.168 0.000 0.631 388 A CB -0.764 18.388 19.000 0.253 0.000 0.814 388 A HN 0.369 nan 8.150 nan 0.000 0.446 389 A N -0.025 122.925 122.820 0.217 0.000 1.859 389 A HA -0.123 4.196 4.320 -0.002 0.000 0.217 389 A C 2.318 180.044 177.584 0.236 0.000 1.198 389 A CA 2.823 54.982 52.037 0.204 0.000 0.629 389 A CB -1.384 17.637 19.000 0.035 0.000 0.830 389 A HN 1.039 nan 8.150 nan 0.000 0.446 390 V N -2.677 117.348 119.914 0.186 0.000 2.427 390 V HA -0.225 3.893 4.120 -0.002 0.000 0.248 390 V C 2.444 178.744 176.094 0.344 0.000 1.051 390 V CA 2.185 64.625 62.300 0.233 0.000 1.048 390 V CB -1.119 30.812 31.823 0.180 0.000 0.666 390 V HN 0.485 nan 8.190 nan 0.000 0.456 391 M N 2.262 122.021 119.600 0.264 0.000 2.080 391 M HA -0.039 4.440 4.480 -0.002 0.000 0.260 391 M C 2.166 178.630 176.300 0.272 0.000 1.068 391 M CA 2.339 57.781 55.300 0.237 0.000 1.109 391 M CB -0.927 31.688 32.600 0.025 0.000 1.342 391 M HN 0.351 nan 8.290 nan 0.000 0.405 392 A N -0.656 122.295 122.820 0.218 0.000 1.883 392 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 392 A C 2.168 179.870 177.584 0.196 0.000 1.186 392 A CA 1.922 54.054 52.037 0.158 0.000 0.624 392 A CB -1.432 17.664 19.000 0.160 0.000 0.822 392 A HN 0.634 nan 8.150 nan 0.000 0.444 393 F N 0.946 120.981 119.950 0.142 0.000 2.102 393 F HA -0.057 4.469 4.527 -0.002 0.000 0.298 393 F C 2.412 178.272 175.800 0.099 0.000 1.105 393 F CA 1.718 59.780 58.000 0.104 0.000 1.239 393 F CB -0.631 38.422 39.000 0.088 0.000 0.991 393 F HN 0.226 nan 8.300 nan 0.000 0.474 394 G N -1.420 107.575 108.800 0.325 0.000 2.432 394 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.219 394 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.219 394 G C 1.739 176.687 174.900 0.079 0.000 1.135 394 G CA 0.949 46.112 45.100 0.106 0.000 0.767 394 G HN 0.399 nan 8.290 nan 0.000 0.550 395 S N 0.211 116.049 115.700 0.229 0.000 2.515 395 S HA -0.010 4.459 4.470 -0.002 0.000 0.231 395 S C 1.809 176.437 174.600 0.047 0.000 0.987 395 S CA 0.893 59.204 58.200 0.186 0.000 0.936 395 S CB -0.143 63.157 63.200 0.167 0.000 0.766 395 S HN 0.688 nan 8.310 nan 0.000 0.528 396 I N -3.318 117.212 120.570 -0.066 0.000 3.927 396 I HA 0.331 4.500 4.170 -0.002 0.000 0.332 396 I C 0.948 176.967 176.117 -0.163 0.000 1.485 396 I CA -0.083 61.150 61.300 -0.112 0.000 1.131 396 I CB 0.060 37.964 38.000 -0.161 0.000 1.092 396 I HN 0.018 nan 8.210 nan 0.000 0.410 397 M N 1.178 120.685 119.600 -0.156 0.000 2.659 397 M HA 0.194 4.672 4.480 -0.002 0.000 0.243 397 M C -0.225 176.035 176.300 -0.066 0.000 1.111 397 M CA 0.688 55.907 55.300 -0.136 0.000 1.070 397 M CB -1.292 31.225 32.600 -0.139 0.000 1.525 397 M HN 0.407 nan 8.290 nan 0.000 0.517 398 D N -0.899 119.479 120.400 -0.037 0.000 2.855 398 D HA 0.520 5.159 4.640 -0.002 0.000 0.241 398 D C 0.477 176.785 176.300 0.014 0.000 1.277 398 D CA 0.673 54.671 54.000 -0.004 0.000 0.918 398 D CB 1.268 42.074 40.800 0.011 0.000 1.462 398 D HN 0.251 nan 8.370 nan 0.000 0.559 399 G N 3.868 112.678 108.800 0.018 0.000 3.426 399 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.196 399 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.196 399 G C -2.231 172.684 174.900 0.025 0.000 1.763 399 G CA -0.293 44.825 45.100 0.030 0.000 1.210 399 G HN 0.568 nan 8.290 nan 0.000 0.472 400 P HA 0.376 nan 4.420 nan 0.000 0.270 400 P C -0.420 176.890 177.300 0.016 0.000 1.223 400 P CA 0.326 63.436 63.100 0.018 0.000 0.785 400 P CB 0.447 32.154 31.700 0.012 0.000 0.923 401 D N 0.081 120.491 120.400 0.015 0.000 2.369 401 D HA 0.026 4.664 4.640 -0.002 0.000 0.241 401 D C 1.006 177.317 176.300 0.018 0.000 1.271 401 D CA -0.198 53.809 54.000 0.011 0.000 0.942 401 D CB 0.529 41.331 40.800 0.002 0.000 1.129 401 D HN 0.224 nan 8.370 nan 0.000 0.476 402 K N -0.307 120.101 120.400 0.013 0.000 2.148 402 K HA -0.069 4.250 4.320 -0.002 0.000 0.204 402 K C 1.836 178.447 176.600 0.017 0.000 1.050 402 K CA 0.601 56.898 56.287 0.017 0.000 0.942 402 K CB -0.109 32.398 32.500 0.012 0.000 0.724 402 K HN 0.337 nan 8.250 nan 0.000 0.446 403 V N 1.519 121.437 119.914 0.006 0.000 2.295 403 V HA -0.276 3.843 4.120 -0.002 0.000 0.246 403 V C 2.407 178.507 176.094 0.010 0.000 1.049 403 V CA 1.664 63.959 62.300 -0.009 0.000 1.024 403 V CB -0.392 31.413 31.823 -0.029 0.000 0.648 403 V HN 0.413 nan 8.190 nan 0.000 0.447 404 Q N -0.281 119.545 119.800 0.043 0.000 2.046 404 Q HA -0.141 4.198 4.340 -0.002 0.000 0.200 404 Q C 2.404 178.539 176.000 0.225 0.000 0.975 404 Q CA 1.421 57.305 55.803 0.134 0.000 0.836 404 Q CB -0.381 28.461 28.738 0.174 0.000 0.896 404 Q HN 0.582 nan 8.270 nan 0.000 0.428 405 R N 0.029 120.615 120.500 0.144 0.000 2.083 405 R HA -0.096 4.242 4.340 -0.002 0.000 0.237 405 R C 2.452 178.837 176.300 0.141 0.000 1.137 405 R CA 1.812 57.992 56.100 0.132 0.000 0.951 405 R CB -0.426 29.905 30.300 0.053 0.000 0.851 405 R HN 0.238 nan 8.270 nan 0.000 0.434 406 T N 0.196 114.796 114.554 0.077 0.000 2.720 406 T HA -0.236 4.113 4.350 -0.002 0.000 0.268 406 T C 1.462 176.123 174.700 -0.065 0.000 1.037 406 T CA 1.658 63.772 62.100 0.024 0.000 1.144 406 T CB -0.432 68.414 68.868 -0.037 0.000 0.864 406 T HN 0.345 nan 8.240 nan 0.000 0.444 407 Y N 0.435 120.610 120.300 -0.208 0.000 2.163 407 Y HA -0.158 4.391 4.550 -0.002 0.000 0.288 407 Y C 1.997 177.754 175.900 -0.240 0.000 1.136 407 Y CA 1.119 59.013 58.100 -0.343 0.000 1.147 407 Y CB -0.422 37.756 38.460 -0.470 0.000 0.987 407 Y HN 0.294 nan 8.280 nan 0.000 0.509 408 Y N -1.582 118.821 120.300 0.172 0.000 2.395 408 Y HA -0.149 4.399 4.550 -0.003 0.000 0.293 408 Y C 2.438 178.481 175.900 0.238 0.000 1.123 408 Y CA 0.978 59.190 58.100 0.186 0.000 1.227 408 Y CB -0.327 38.314 38.460 0.301 0.000 1.012 408 Y HN -0.052 nan 8.280 nan 0.000 0.552 409 V N -0.142 120.007 119.914 0.391 0.000 2.295 409 V HA -0.353 3.766 4.120 -0.002 0.000 0.246 409 V C 2.070 178.234 176.094 0.118 0.000 1.049 409 V CA 2.110 64.593 62.300 0.305 0.000 1.024 409 V CB -0.700 31.285 31.823 0.271 0.000 0.648 409 V HN 0.550 nan 8.190 nan 0.000 0.447 410 H N -0.563 118.470 119.070 -0.062 0.000 2.390 410 H HA -0.210 4.344 4.556 -0.002 0.000 0.298 410 H C 2.515 177.753 175.328 -0.151 0.000 1.106 410 H CA 1.810 57.809 56.048 -0.083 0.000 1.297 410 H CB 0.192 29.893 29.762 -0.102 0.000 1.375 410 H HN 0.520 nan 8.280 nan 0.000 0.509 411 Q N -0.203 119.552 119.800 -0.076 0.000 2.096 411 Q HA -0.016 4.322 4.340 -0.002 0.000 0.197 411 Q C 2.471 178.414 176.000 -0.094 0.000 0.964 411 Q CA 0.888 56.636 55.803 -0.090 0.000 0.838 411 Q CB 0.144 28.843 28.738 -0.065 0.000 0.906 411 Q HN 0.393 nan 8.270 nan 0.000 0.444 412 A N 0.405 123.146 122.820 -0.133 0.000 2.021 412 A HA -0.065 4.254 4.320 -0.002 0.000 0.216 412 A C 1.934 179.318 177.584 -0.335 0.000 1.163 412 A CA 0.328 52.188 52.037 -0.295 0.000 0.676 412 A CB -0.238 18.365 19.000 -0.663 0.000 0.818 412 A HN 0.257 nan 8.150 nan 0.000 0.453 413 L N 0.631 121.649 121.223 -0.342 0.000 2.046 413 L HA -0.033 4.305 4.340 -0.002 0.000 0.208 413 L C -0.819 175.861 176.870 -0.315 0.000 1.077 413 L CA 2.202 56.813 54.840 -0.381 0.000 0.747 413 L CB -1.231 40.499 42.059 -0.549 0.000 0.896 413 L HN 0.148 nan 8.230 nan 0.000 0.432 414 P HA -0.126 nan 4.420 nan 0.000 0.215 414 P C 1.771 178.997 177.300 -0.123 0.000 1.157 414 P CA 2.024 65.035 63.100 -0.149 0.000 0.868 414 P CB -0.126 31.529 31.700 -0.076 0.000 0.788 415 S N -0.623 114.997 115.700 -0.133 0.000 2.383 415 S HA -0.100 4.368 4.470 -0.002 0.000 0.227 415 S C 1.979 176.505 174.600 -0.122 0.000 1.026 415 S CA 1.035 59.167 58.200 -0.113 0.000 0.981 415 S CB -1.266 61.867 63.200 -0.112 0.000 0.818 415 S HN 0.118 nan 8.310 nan 0.000 0.472 416 I N 1.482 121.949 120.570 -0.171 0.000 2.252 416 I HA -0.140 4.029 4.170 -0.002 0.000 0.245 416 I C 2.124 178.182 176.117 -0.099 0.000 1.102 416 I CA 1.099 62.309 61.300 -0.150 0.000 1.385 416 I CB -0.387 37.483 38.000 -0.215 0.000 1.064 416 I HN 0.225 nan 8.210 nan 0.000 0.414 417 L N 0.457 121.615 121.223 -0.109 0.000 2.141 417 L HA -0.196 4.143 4.340 -0.002 0.000 0.209 417 L C 2.240 179.076 176.870 -0.056 0.000 1.094 417 L CA 1.299 56.091 54.840 -0.080 0.000 0.763 417 L CB -0.689 41.318 42.059 -0.086 0.000 0.908 417 L HN 0.343 nan 8.230 nan 0.000 0.437 418 N N 0.487 119.152 118.700 -0.057 0.000 2.309 418 N HA -0.142 4.597 4.740 -0.002 0.000 0.182 418 N C 1.764 177.255 175.510 -0.032 0.000 1.018 418 N CA 0.893 53.918 53.050 -0.041 0.000 0.876 418 N CB -0.078 38.384 38.487 -0.041 0.000 0.972 418 N HN 0.244 nan 8.380 nan 0.000 0.434 419 L N -0.215 120.987 121.223 -0.034 0.000 2.362 419 L HA -0.018 4.321 4.340 -0.002 0.000 0.219 419 L C 1.727 178.590 176.870 -0.012 0.000 1.134 419 L CA 0.323 55.152 54.840 -0.018 0.000 0.807 419 L CB -0.333 41.719 42.059 -0.012 0.000 0.927 419 L HN 0.306 nan 8.230 nan 0.000 0.447 420 M N -0.453 119.137 119.600 -0.017 0.000 2.539 420 M HA -0.124 4.355 4.480 -0.002 0.000 0.261 420 M C 1.035 177.327 176.300 -0.015 0.000 1.069 420 M CA 1.166 56.458 55.300 -0.013 0.000 1.081 420 M CB -0.878 31.712 32.600 -0.017 0.000 1.412 420 M HN 0.299 nan 8.290 nan 0.000 0.482 421 N N 0.512 119.202 118.700 -0.017 0.000 2.268 421 N HA 0.014 4.752 4.740 -0.002 0.000 0.204 421 N C 0.142 175.642 175.510 -0.016 0.000 1.124 421 N CA 0.078 53.118 53.050 -0.016 0.000 0.838 421 N CB 0.307 38.785 38.487 -0.016 0.000 0.994 421 N HN 0.376 nan 8.380 nan 0.000 0.489 422 D N 0.988 121.378 120.400 -0.016 0.000 2.399 422 D HA -0.016 4.623 4.640 -0.002 0.000 0.241 422 D C 1.065 177.347 176.300 -0.029 0.000 1.133 422 D CA 0.049 54.040 54.000 -0.015 0.000 0.890 422 D CB 1.327 42.124 40.800 -0.005 0.000 1.201 422 D HN 0.013 nan 8.370 nan 0.000 0.432 423 Q N 0.802 120.585 119.800 -0.028 0.000 2.124 423 Q HA -0.119 4.220 4.340 -0.002 0.000 0.202 423 Q C 0.762 176.707 176.000 -0.092 0.000 0.977 423 Q CA 0.698 56.473 55.803 -0.047 0.000 0.850 423 Q CB -0.268 28.450 28.738 -0.034 0.000 0.901 423 Q HN 0.308 nan 8.270 nan 0.000 0.429 424 S N 0.955 116.594 115.700 -0.101 0.000 2.455 424 S HA 0.074 4.542 4.470 -0.002 0.000 0.278 424 S C 1.153 175.634 174.600 -0.198 0.000 1.216 424 S CA -0.495 57.581 58.200 -0.205 0.000 1.055 424 S CB 0.523 63.621 63.200 -0.169 0.000 0.939 424 S HN 0.235 nan 8.310 nan 0.000 0.494 425 L N 5.844 126.908 121.223 -0.264 0.000 2.043 425 L HA -0.136 4.203 4.340 -0.002 0.000 0.212 425 L C 2.160 178.889 176.870 -0.235 0.000 1.075 425 L CA 2.105 56.787 54.840 -0.264 0.000 0.752 425 L CB -0.897 40.945 42.059 -0.361 0.000 0.891 425 L HN 0.783 nan 8.230 nan 0.000 0.432 426 Q N -1.359 118.280 119.800 -0.269 0.000 2.172 426 Q HA -0.063 4.276 4.340 -0.002 0.000 0.200 426 Q C 2.200 178.178 176.000 -0.037 0.000 0.964 426 Q CA 1.492 57.199 55.803 -0.160 0.000 0.855 426 Q CB -0.312 28.336 28.738 -0.150 0.000 0.918 426 Q HN 0.438 nan 8.270 nan 0.000 0.444 427 V N 0.829 120.739 119.914 -0.007 0.000 2.343 427 V HA -0.285 3.834 4.120 -0.002 0.000 0.247 427 V C 1.940 178.047 176.094 0.022 0.000 1.051 427 V CA 1.817 64.147 62.300 0.049 0.000 1.036 427 V CB -0.368 31.496 31.823 0.067 0.000 0.654 427 V HN 0.325 nan 8.190 nan 0.000 0.451 428 K N -0.062 120.328 120.400 -0.018 0.000 2.025 428 K HA -0.227 4.092 4.320 -0.002 0.000 0.207 428 K C 2.234 178.842 176.600 0.013 0.000 1.049 428 K CA 1.748 58.030 56.287 -0.008 0.000 0.933 428 K CB -0.241 32.239 32.500 -0.032 0.000 0.714 428 K HN 0.639 nan 8.250 nan 0.000 0.438 429 E N 0.668 120.856 120.200 -0.020 0.000 2.049 429 E HA -0.213 4.135 4.350 -0.002 0.000 0.198 429 E C 1.585 178.232 176.600 0.078 0.000 1.007 429 E CA 2.038 58.439 56.400 0.002 0.000 0.809 429 E CB -0.091 29.564 29.700 -0.076 0.000 0.749 429 E HN 0.128 nan 8.360 nan 0.000 0.450 430 T N 0.057 114.649 114.554 0.063 0.000 2.915 430 T HA -0.090 4.258 4.350 -0.002 0.000 0.269 430 T C 1.799 176.664 174.700 0.275 0.000 1.071 430 T CA 1.496 63.681 62.100 0.142 0.000 1.132 430 T CB -0.335 68.573 68.868 0.066 0.000 0.878 430 T HN 0.274 nan 8.240 nan 0.000 0.479 431 T N 2.034 116.687 114.554 0.165 0.000 2.737 431 T HA 0.008 4.356 4.350 -0.002 0.000 0.265 431 T C 2.468 177.250 174.700 0.137 0.000 1.038 431 T CA 1.116 63.296 62.100 0.133 0.000 1.144 431 T CB -0.555 68.349 68.868 0.060 0.000 0.866 431 T HN 0.424 nan 8.240 nan 0.000 0.434 432 A N 0.501 123.399 122.820 0.130 0.000 1.940 432 A HA -0.142 4.177 4.320 -0.002 0.000 0.219 432 A C 2.068 179.756 177.584 0.174 0.000 1.176 432 A CA 1.726 53.833 52.037 0.117 0.000 0.631 432 A CB -1.170 17.895 19.000 0.110 0.000 0.814 432 A HN 0.749 nan 8.150 nan 0.000 0.446 433 W N -0.362 120.965 121.300 0.046 0.000 2.381 433 W HA -0.211 4.447 4.660 -0.003 0.000 0.301 433 W C 2.437 178.993 176.519 0.063 0.000 1.205 433 W CA 1.555 58.934 57.345 0.058 0.000 1.285 433 W CB -0.638 28.851 29.460 0.048 0.000 1.133 433 W HN 0.363 nan 8.180 nan 0.000 0.521 434 C N 0.606 120.013 119.300 0.178 0.000 2.425 434 C HA -0.178 4.281 4.460 -0.002 0.000 0.277 434 C C 2.664 177.591 174.990 -0.106 0.000 1.280 434 C CA 1.654 60.646 59.018 -0.044 0.000 1.744 434 C CB -1.478 26.386 27.740 0.208 0.000 1.989 434 C HN 0.453 nan 8.230 nan 0.000 0.491 435 I N 1.055 121.600 120.570 -0.041 0.000 2.226 435 I HA -0.055 4.114 4.170 -0.002 0.000 0.245 435 I C 2.774 178.836 176.117 -0.091 0.000 1.100 435 I CA 1.653 62.922 61.300 -0.053 0.000 1.374 435 I CB -0.889 37.089 38.000 -0.038 0.000 1.057 435 I HN 0.502 nan 8.210 nan 0.000 0.413 436 G N 0.906 109.638 108.800 -0.112 0.000 2.469 436 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.219 436 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.219 436 G C 1.791 176.568 174.900 -0.204 0.000 1.150 436 G CA 0.505 45.528 45.100 -0.128 0.000 0.763 436 G HN 0.203 nan 8.290 nan 0.000 0.561 437 R N 0.027 120.311 120.500 -0.361 0.000 2.115 437 R HA 0.118 4.457 4.340 -0.002 0.000 0.226 437 R C 2.593 178.788 176.300 -0.175 0.000 1.100 437 R CA 0.542 56.427 56.100 -0.359 0.000 0.980 437 R CB -0.619 29.324 30.300 -0.594 0.000 0.875 437 R HN 0.457 nan 8.270 nan 0.000 0.445 438 I N 0.799 121.302 120.570 -0.112 0.000 2.179 438 I HA -0.236 3.933 4.170 -0.002 0.000 0.242 438 I C 2.599 178.694 176.117 -0.037 0.000 1.088 438 I CA 1.373 62.657 61.300 -0.026 0.000 1.357 438 I CB -0.501 37.515 38.000 0.027 0.000 1.051 438 I HN 0.067 nan 8.210 nan 0.000 0.409 439 A N 0.330 123.115 122.820 -0.058 0.000 1.908 439 A HA -0.300 4.019 4.320 -0.002 0.000 0.218 439 A C 2.036 179.592 177.584 -0.048 0.000 1.181 439 A CA 2.368 54.374 52.037 -0.053 0.000 0.627 439 A CB -0.688 18.274 19.000 -0.063 0.000 0.818 439 A HN 0.432 nan 8.150 nan 0.000 0.445 440 D N -0.792 119.573 120.400 -0.058 0.000 2.117 440 D HA -0.046 4.593 4.640 -0.002 0.000 0.198 440 D C 1.932 178.215 176.300 -0.030 0.000 0.982 440 D CA 1.726 55.700 54.000 -0.043 0.000 0.828 440 D CB 0.019 40.785 40.800 -0.056 0.000 0.967 440 D HN 0.336 nan 8.370 nan 0.000 0.464 441 S N -1.414 114.265 115.700 -0.035 0.000 2.502 441 S HA 0.129 4.597 4.470 -0.002 0.000 0.215 441 S C 0.619 175.217 174.600 -0.004 0.000 1.009 441 S CA -0.033 58.155 58.200 -0.019 0.000 0.908 441 S CB 1.511 64.693 63.200 -0.029 0.000 0.801 441 S HN 0.171 nan 8.310 nan 0.000 0.505 442 V N 0.573 120.487 119.914 0.000 0.000 2.965 442 V HA 0.480 4.599 4.120 -0.002 0.000 0.403 442 V C 1.050 177.160 176.094 0.027 0.000 1.393 442 V CA -0.290 62.022 62.300 0.021 0.000 1.554 442 V CB -0.269 31.576 31.823 0.038 0.000 1.360 442 V HN 0.247 nan 8.190 nan 0.000 0.657 443 A N 0.779 123.605 122.820 0.010 0.000 1.978 443 A HA -0.175 4.144 4.320 -0.002 0.000 0.220 443 A C 1.912 179.510 177.584 0.023 0.000 1.170 443 A CA 2.242 54.280 52.037 0.002 0.000 0.636 443 A CB -0.158 18.831 19.000 -0.018 0.000 0.810 443 A HN 0.674 nan 8.150 nan 0.000 0.448 444 E N 0.591 120.813 120.200 0.037 0.000 2.409 444 E HA -0.092 4.256 4.350 -0.002 0.000 0.198 444 E C 1.966 178.627 176.600 0.103 0.000 1.024 444 E CA 1.032 57.466 56.400 0.057 0.000 0.861 444 E CB -0.284 29.447 29.700 0.051 0.000 0.788 444 E HN 0.788 nan 8.360 nan 0.000 0.521 445 S N 0.309 116.080 115.700 0.118 0.000 2.522 445 S HA 0.000 4.469 4.470 -0.002 0.000 0.227 445 S C 0.909 175.652 174.600 0.238 0.000 0.986 445 S CA 0.005 58.336 58.200 0.218 0.000 0.929 445 S CB -0.260 63.048 63.200 0.180 0.000 0.769 445 S HN 0.139 nan 8.310 nan 0.000 0.529 446 I N 3.290 123.928 120.570 0.113 0.000 2.278 446 I HA 0.175 4.344 4.170 -0.002 0.000 0.296 446 I C -0.046 176.097 176.117 0.043 0.000 1.121 446 I CA -0.543 60.795 61.300 0.064 0.000 1.267 446 I CB 0.123 38.128 38.000 0.009 0.000 1.447 446 I HN 0.103 nan 8.210 nan 0.000 0.509 447 D N 9.081 129.471 120.400 -0.017 0.000 2.502 447 D HA -0.027 4.612 4.640 -0.002 0.000 0.249 447 D C -1.409 174.850 176.300 -0.068 0.000 1.188 447 D CA -0.867 53.070 54.000 -0.105 0.000 0.890 447 D CB 1.043 41.641 40.800 -0.336 0.000 1.140 447 D HN 0.243 nan 8.370 nan 0.000 0.505 448 P HA -0.211 nan 4.420 nan 0.000 0.217 448 P C 0.939 178.255 177.300 0.027 0.000 1.151 448 P CA 1.279 64.395 63.100 0.027 0.000 0.849 448 P CB 0.233 31.962 31.700 0.048 0.000 0.787 449 Q N -1.210 118.575 119.800 -0.025 0.000 2.134 449 Q HA -0.017 4.322 4.340 -0.002 0.000 0.195 449 Q C 2.290 178.241 176.000 -0.083 0.000 0.958 449 Q CA 1.488 57.273 55.803 -0.030 0.000 0.840 449 Q CB -0.495 28.217 28.738 -0.043 0.000 0.918 449 Q HN 0.263 nan 8.270 nan 0.000 0.467 450 Q N -1.773 117.900 119.800 -0.212 0.000 2.250 450 Q HA -0.000 4.339 4.340 -0.002 0.000 0.200 450 Q C 1.060 176.878 176.000 -0.303 0.000 0.941 450 Q CA 1.011 56.611 55.803 -0.339 0.000 0.872 450 Q CB 0.298 28.657 28.738 -0.631 0.000 0.965 450 Q HN 0.547 nan 8.270 nan 0.000 0.480 451 H N -1.909 117.095 119.070 -0.110 0.000 2.735 451 H HA 0.067 4.622 4.556 -0.002 0.000 0.250 451 H C 1.431 176.675 175.328 -0.141 0.000 0.948 451 H CA -0.261 55.709 56.048 -0.129 0.000 1.137 451 H CB 0.555 30.217 29.762 -0.165 0.000 1.440 451 H HN 0.008 nan 8.280 nan 0.000 0.444 452 L N 2.278 123.477 121.223 -0.041 0.000 2.042 452 L HA -0.046 4.293 4.340 -0.002 0.000 0.210 452 L C -1.039 175.614 176.870 -0.362 0.000 1.076 452 L CA 1.731 56.452 54.840 -0.198 0.000 0.749 452 L CB -0.703 41.238 42.059 -0.197 0.000 0.893 452 L HN 0.102 nan 8.230 nan 0.000 0.432 453 P HA -0.101 nan 4.420 nan 0.000 0.216 453 P C 1.612 178.844 177.300 -0.114 0.000 1.150 453 P CA 1.744 64.764 63.100 -0.134 0.000 0.837 453 P CB -0.354 31.403 31.700 0.095 0.000 0.786 454 G N -0.463 108.294 108.800 -0.072 0.000 2.408 454 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.217 454 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.217 454 G C 1.591 176.436 174.900 -0.092 0.000 1.150 454 G CA 0.587 45.654 45.100 -0.055 0.000 0.776 454 G HN 0.155 nan 8.290 nan 0.000 0.542 455 V N 0.483 120.318 119.914 -0.132 0.000 2.307 455 V HA -0.146 3.972 4.120 -0.002 0.000 0.245 455 V C 2.999 178.993 176.094 -0.166 0.000 1.045 455 V CA 1.362 63.577 62.300 -0.142 0.000 1.024 455 V CB -0.383 31.349 31.823 -0.151 0.000 0.651 455 V HN 0.235 nan 8.190 nan 0.000 0.449 456 V N -0.139 119.620 119.914 -0.258 0.000 2.287 456 V HA -0.371 3.748 4.120 -0.002 0.000 0.248 456 V C 2.464 178.484 176.094 -0.123 0.000 1.053 456 V CA 2.533 64.686 62.300 -0.244 0.000 1.027 456 V CB -0.703 30.859 31.823 -0.434 0.000 0.646 456 V HN 0.630 nan 8.190 nan 0.000 0.447 457 Q N -0.201 119.543 119.800 -0.093 0.000 2.061 457 Q HA -0.251 4.088 4.340 -0.002 0.000 0.204 457 Q C 2.259 178.231 176.000 -0.048 0.000 0.984 457 Q CA 2.180 57.956 55.803 -0.045 0.000 0.846 457 Q CB -0.311 28.412 28.738 -0.026 0.000 0.902 457 Q HN 0.641 nan 8.270 nan 0.000 0.421 458 A N 0.018 122.803 122.820 -0.058 0.000 1.908 458 A HA -0.214 4.105 4.320 -0.002 0.000 0.218 458 A C 2.343 179.901 177.584 -0.043 0.000 1.181 458 A CA 1.527 53.536 52.037 -0.046 0.000 0.627 458 A CB -1.025 17.945 19.000 -0.051 0.000 0.818 458 A HN 0.658 nan 8.150 nan 0.000 0.445 459 C N -0.813 118.453 119.300 -0.057 0.000 2.429 459 C HA -0.031 4.428 4.460 -0.002 0.000 0.277 459 C C 2.630 177.589 174.990 -0.050 0.000 1.262 459 C CA 0.935 59.921 59.018 -0.053 0.000 1.733 459 C CB -1.534 26.161 27.740 -0.075 0.000 2.010 459 C HN 0.624 nan 8.230 nan 0.000 0.483 460 L N 0.401 121.593 121.223 -0.052 0.000 2.056 460 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 460 L C 2.575 179.424 176.870 -0.035 0.000 1.078 460 L CA 1.135 55.948 54.840 -0.045 0.000 0.749 460 L CB -0.607 41.430 42.059 -0.037 0.000 0.901 460 L HN 0.238 nan 8.230 nan 0.000 0.433 461 I N 0.438 120.991 120.570 -0.028 0.000 2.163 461 I HA -0.204 3.965 4.170 -0.002 0.000 0.243 461 I C 2.687 178.795 176.117 -0.015 0.000 1.085 461 I CA 1.810 63.098 61.300 -0.020 0.000 1.347 461 I CB -2.011 35.978 38.000 -0.018 0.000 1.044 461 I HN 0.245 nan 8.210 nan 0.000 0.408 462 G N 0.962 109.753 108.800 -0.015 0.000 2.440 462 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.218 462 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.218 462 G C 1.833 176.733 174.900 -0.001 0.000 1.154 462 G CA 0.420 45.519 45.100 -0.002 0.000 0.767 462 G HN 0.354 nan 8.290 nan 0.000 0.552 463 L N -0.197 121.015 121.223 -0.018 0.000 2.187 463 L HA -0.131 4.208 4.340 -0.002 0.000 0.213 463 L C 2.803 179.661 176.870 -0.019 0.000 1.100 463 L CA 1.105 55.929 54.840 -0.026 0.000 0.765 463 L CB -0.222 41.805 42.059 -0.054 0.000 0.904 463 L HN 0.327 nan 8.230 nan 0.000 0.437 464 Q N -1.261 118.528 119.800 -0.017 0.000 2.319 464 Q HA 0.035 4.373 4.340 -0.002 0.000 0.202 464 Q C 0.398 176.396 176.000 -0.003 0.000 0.896 464 Q CA -0.165 55.629 55.803 -0.015 0.000 0.942 464 Q CB 0.455 29.182 28.738 -0.018 0.000 1.083 464 Q HN 0.390 nan 8.270 nan 0.000 0.510 465 D N -0.432 119.973 120.400 0.009 0.000 2.496 465 D HA -0.007 4.632 4.640 -0.002 0.000 0.283 465 D C -0.221 176.108 176.300 0.047 0.000 1.214 465 D CA -0.472 53.545 54.000 0.028 0.000 1.089 465 D CB 0.602 41.422 40.800 0.033 0.000 1.141 465 D HN 0.070 nan 8.370 nan 0.000 0.580 466 H N 0.803 119.857 119.070 -0.027 0.000 3.115 466 H HA -0.039 4.516 4.556 -0.002 0.000 0.324 466 H C -1.502 173.813 175.328 -0.023 0.000 1.007 466 H CA -0.514 55.513 56.048 -0.036 0.000 1.385 466 H CB 1.190 30.900 29.762 -0.087 0.000 1.351 466 H HN 0.152 nan 8.280 nan 0.000 0.592 467 P HA -0.203 nan 4.420 nan 0.000 0.217 467 P C 1.242 178.644 177.300 0.171 0.000 1.151 467 P CA 1.660 64.803 63.100 0.071 0.000 0.849 467 P CB 0.256 32.044 31.700 0.146 0.000 0.787 468 K N -0.492 120.037 120.400 0.214 0.000 2.097 468 K HA -0.075 4.244 4.320 -0.002 0.000 0.206 468 K C 2.049 178.691 176.600 0.070 0.000 1.049 468 K CA 1.164 57.474 56.287 0.037 0.000 0.933 468 K CB -0.499 31.851 32.500 -0.250 0.000 0.717 468 K HN 0.001 nan 8.250 nan 0.000 0.442 469 V N 0.946 120.909 119.914 0.081 0.000 2.453 469 V HA -0.211 3.908 4.120 -0.002 0.000 0.247 469 V C 2.269 178.411 176.094 0.081 0.000 1.048 469 V CA 1.861 64.198 62.300 0.062 0.000 1.049 469 V CB -0.506 31.342 31.823 0.042 0.000 0.672 469 V HN 0.340 nan 8.190 nan 0.000 0.457 470 A N -0.091 122.780 122.820 0.084 0.000 1.877 470 A HA -0.244 4.075 4.320 -0.002 0.000 0.216 470 A C 2.415 180.045 177.584 0.078 0.000 1.186 470 A CA 2.606 54.679 52.037 0.060 0.000 0.620 470 A CB -1.083 17.947 19.000 0.049 0.000 0.822 470 A HN 0.476 nan 8.150 nan 0.000 0.443 471 T N 0.764 115.399 114.554 0.135 0.000 2.720 471 T HA -0.149 4.200 4.350 -0.002 0.000 0.268 471 T C 1.802 176.671 174.700 0.282 0.000 1.037 471 T CA 1.646 63.867 62.100 0.202 0.000 1.144 471 T CB -0.444 68.596 68.868 0.286 0.000 0.864 471 T HN 0.510 nan 8.240 nan 0.000 0.444 472 N N 0.531 119.382 118.700 0.252 0.000 2.244 472 N HA -0.039 4.699 4.740 -0.002 0.000 0.183 472 N C 1.945 177.575 175.510 0.200 0.000 1.016 472 N CA 0.654 53.873 53.050 0.282 0.000 0.866 472 N CB -0.725 37.904 38.487 0.237 0.000 0.980 472 N HN 0.422 nan 8.380 nan 0.000 0.430 473 C N -0.203 119.162 119.300 0.110 0.000 2.440 473 C HA 0.061 4.520 4.460 -0.002 0.000 0.278 473 C C 2.890 177.877 174.990 -0.006 0.000 1.295 473 C CA 0.366 59.408 59.018 0.041 0.000 1.738 473 C CB -0.977 26.768 27.740 0.009 0.000 1.987 473 C HN 0.397 nan 8.230 nan 0.000 0.492 474 S N -0.324 115.346 115.700 -0.049 0.000 2.348 474 S HA -0.205 4.264 4.470 -0.002 0.000 0.221 474 S C 1.458 175.933 174.600 -0.208 0.000 1.033 474 S CA 1.569 59.651 58.200 -0.197 0.000 1.010 474 S CB -0.395 62.604 63.200 -0.336 0.000 0.891 474 S HN 0.788 nan 8.310 nan 0.000 0.442 475 W N 1.601 122.919 121.300 0.030 0.000 2.350 475 W HA -0.108 4.550 4.660 -0.003 0.000 0.289 475 W C 2.660 179.175 176.519 -0.007 0.000 1.215 475 W CA 1.080 58.442 57.345 0.028 0.000 1.236 475 W CB -0.899 28.599 29.460 0.064 0.000 1.130 475 W HN 0.218 nan 8.180 nan 0.000 0.541 476 T N 0.668 115.316 114.554 0.155 0.000 2.821 476 T HA -0.150 4.199 4.350 -0.002 0.000 0.267 476 T C 1.671 176.362 174.700 -0.015 0.000 1.046 476 T CA 1.287 63.419 62.100 0.052 0.000 1.139 476 T CB -0.292 68.591 68.868 0.025 0.000 0.871 476 T HN 0.061 nan 8.240 nan 0.000 0.454 477 I N 0.507 121.047 120.570 -0.051 0.000 2.252 477 I HA -0.101 4.067 4.170 -0.002 0.000 0.245 477 I C 2.149 178.202 176.117 -0.106 0.000 1.102 477 I CA 1.119 62.357 61.300 -0.103 0.000 1.385 477 I CB -0.321 37.597 38.000 -0.138 0.000 1.064 477 I HN 0.203 nan 8.210 nan 0.000 0.414 478 I N 0.888 121.409 120.570 -0.082 0.000 2.151 478 I HA -0.352 3.817 4.170 -0.002 0.000 0.243 478 I C 2.240 178.331 176.117 -0.042 0.000 1.080 478 I CA 1.451 62.718 61.300 -0.053 0.000 1.339 478 I CB -0.562 37.447 38.000 0.015 0.000 1.039 478 I HN 0.320 nan 8.210 nan 0.000 0.409 479 N N 0.773 119.477 118.700 0.006 0.000 2.084 479 N HA -0.141 4.597 4.740 -0.002 0.000 0.190 479 N C 1.976 177.441 175.510 -0.075 0.000 1.030 479 N CA 1.204 54.244 53.050 -0.017 0.000 0.849 479 N CB -0.513 37.974 38.487 -0.000 0.000 1.012 479 N HN 0.302 nan 8.380 nan 0.000 0.423 480 L N 0.594 121.766 121.223 -0.085 0.000 1.990 480 L HA -0.192 4.147 4.340 -0.002 0.000 0.213 480 L C 2.141 178.924 176.870 -0.145 0.000 1.072 480 L CA 1.258 56.033 54.840 -0.108 0.000 0.755 480 L CB -0.409 41.579 42.059 -0.117 0.000 0.889 480 L HN 0.020 nan 8.230 nan 0.000 0.432 481 V N -0.560 119.245 119.914 -0.182 0.000 2.358 481 V HA -0.245 3.873 4.120 -0.002 0.000 0.246 481 V C 2.284 178.117 176.094 -0.434 0.000 1.047 481 V CA 1.613 63.763 62.300 -0.250 0.000 1.035 481 V CB -0.436 31.252 31.823 -0.225 0.000 0.658 481 V HN 0.449 nan 8.190 nan 0.000 0.452 482 E N -0.402 119.520 120.200 -0.463 0.000 2.110 482 E HA -0.226 4.122 4.350 -0.002 0.000 0.193 482 E C 2.367 178.811 176.600 -0.260 0.000 0.988 482 E CA 1.111 57.175 56.400 -0.560 0.000 0.804 482 E CB -0.047 29.510 29.700 -0.238 0.000 0.745 482 E HN 0.536 nan 8.360 nan 0.000 0.458 483 Q N -0.251 119.456 119.800 -0.155 0.000 2.204 483 Q HA 0.041 4.379 4.340 -0.002 0.000 0.198 483 Q C 2.174 178.139 176.000 -0.058 0.000 0.946 483 Q CA 0.693 56.454 55.803 -0.070 0.000 0.859 483 Q CB 0.255 28.964 28.738 -0.048 0.000 0.946 483 Q HN 0.333 nan 8.270 nan 0.000 0.474 484 L N -0.219 120.948 121.223 -0.094 0.000 2.416 484 L HA 0.170 4.509 4.340 -0.002 0.000 0.216 484 L C 2.111 178.937 176.870 -0.075 0.000 1.098 484 L CA 0.412 55.210 54.840 -0.070 0.000 0.840 484 L CB -0.276 41.735 42.059 -0.081 0.000 0.981 484 L HN 0.020 nan 8.230 nan 0.000 0.462 485 A N 1.185 123.939 122.820 -0.109 0.000 2.019 485 A HA -0.203 4.115 4.320 -0.002 0.000 0.219 485 A C 2.028 179.710 177.584 0.163 0.000 1.164 485 A CA 1.694 53.723 52.037 -0.013 0.000 0.644 485 A CB -0.321 18.743 19.000 0.107 0.000 0.805 485 A HN 0.630 nan 8.150 nan 0.000 0.449 486 E N 0.030 120.299 120.200 0.116 0.000 2.442 486 E HA 0.428 4.776 4.350 -0.002 0.000 0.195 486 E C 0.873 177.528 176.600 0.091 0.000 1.030 486 E CA 0.203 56.679 56.400 0.126 0.000 0.869 486 E CB -0.355 29.415 29.700 0.116 0.000 0.857 486 E HN 0.459 nan 8.360 nan 0.000 0.505 487 A N 1.415 124.278 122.820 0.071 0.000 2.520 487 A HA 0.099 4.417 4.320 -0.002 0.000 0.235 487 A C 1.120 178.751 177.584 0.079 0.000 1.065 487 A CA 0.349 52.423 52.037 0.063 0.000 0.764 487 A CB 0.352 19.381 19.000 0.049 0.000 1.002 487 A HN 0.225 nan 8.150 nan 0.000 0.502 488 T N 1.781 116.373 114.554 0.064 0.000 2.814 488 T HA 0.074 4.423 4.350 -0.002 0.000 0.254 488 T C -1.287 173.451 174.700 0.063 0.000 1.037 488 T CA 0.910 63.047 62.100 0.061 0.000 1.143 488 T CB -1.165 67.730 68.868 0.044 0.000 0.866 488 T HN 0.728 nan 8.240 nan 0.000 0.431 489 P HA 0.401 nan 4.420 nan 0.000 0.277 489 P C -1.031 176.317 177.300 0.080 0.000 1.354 489 P CA 0.120 63.257 63.100 0.060 0.000 0.891 489 P CB 0.663 32.390 31.700 0.046 0.000 1.058 490 S N 4.568 120.339 115.700 0.118 0.000 2.410 490 S HA 0.370 4.838 4.470 -0.002 0.000 0.304 490 S C -1.241 173.440 174.600 0.135 0.000 1.095 490 S CA -1.362 56.922 58.200 0.140 0.000 1.089 490 S CB 0.563 63.912 63.200 0.249 0.000 0.968 490 S HN 0.270 nan 8.310 nan 0.000 0.480 491 P HA 0.145 nan 4.420 nan 0.000 0.251 491 P C 1.157 178.557 177.300 0.166 0.000 1.223 491 P CA -0.023 63.149 63.100 0.120 0.000 0.796 491 P CB 0.133 31.899 31.700 0.111 0.000 1.068 492 I N -0.892 119.703 120.570 0.041 0.000 2.500 492 I HA -0.125 4.044 4.170 -0.002 0.000 0.252 492 I C 2.011 178.193 176.117 0.108 0.000 1.142 492 I CA 0.906 62.233 61.300 0.047 0.000 1.451 492 I CB -0.737 37.170 38.000 -0.155 0.000 1.093 492 I HN -0.202 nan 8.210 nan 0.000 0.430 493 Y N 0.082 120.493 120.300 0.184 0.000 2.333 493 Y HA -0.232 4.316 4.550 -0.003 0.000 0.290 493 Y C 2.261 178.204 175.900 0.071 0.000 1.144 493 Y CA 1.208 59.355 58.100 0.078 0.000 1.228 493 Y CB -0.763 37.638 38.460 -0.099 0.000 0.985 493 Y HN 0.234 nan 8.280 nan 0.000 0.542 494 N N -0.406 118.365 118.700 0.118 0.000 2.272 494 N HA -0.167 4.572 4.740 -0.002 0.000 0.185 494 N C 0.632 175.928 175.510 -0.355 0.000 1.014 494 N CA 1.392 54.340 53.050 -0.168 0.000 0.870 494 N CB -0.333 37.934 38.487 -0.366 0.000 0.975 494 N HN 0.279 nan 8.380 nan 0.000 0.433 495 F N -2.430 117.587 119.950 0.112 0.000 2.682 495 F HA 0.251 4.777 4.527 -0.002 0.000 0.308 495 F C 1.043 176.903 175.800 0.098 0.000 1.093 495 F CA -0.552 57.491 58.000 0.071 0.000 1.244 495 F CB 0.020 39.029 39.000 0.016 0.000 1.052 495 F HN -0.058 nan 8.300 nan 0.000 0.573 496 Y N 1.814 122.191 120.300 0.128 0.000 2.081 496 Y HA -0.176 4.372 4.550 -0.003 0.000 0.280 496 Y C -0.397 175.541 175.900 0.063 0.000 1.163 496 Y CA 1.946 60.108 58.100 0.103 0.000 1.135 496 Y CB -1.862 36.691 38.460 0.155 0.000 0.970 496 Y HN -0.035 nan 8.280 nan 0.000 0.498 497 P HA -0.210 nan 4.420 nan 0.000 0.215 497 P C 1.355 178.678 177.300 0.038 0.000 1.153 497 P CA 2.428 65.582 63.100 0.089 0.000 0.853 497 P CB -0.240 31.496 31.700 0.060 0.000 0.788 498 A N -0.640 122.215 122.820 0.058 0.000 1.877 498 A HA -0.154 4.164 4.320 -0.002 0.000 0.216 498 A C 2.248 179.831 177.584 -0.001 0.000 1.186 498 A CA 1.486 53.551 52.037 0.046 0.000 0.620 498 A CB -1.645 17.429 19.000 0.124 0.000 0.822 498 A HN 0.109 nan 8.150 nan 0.000 0.443 499 L N -0.597 120.619 121.223 -0.012 0.000 2.093 499 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 499 L C 2.510 179.291 176.870 -0.149 0.000 1.085 499 L CA 0.847 55.628 54.840 -0.098 0.000 0.755 499 L CB -0.479 41.487 42.059 -0.154 0.000 0.904 499 L HN 0.237 nan 8.230 nan 0.000 0.435 500 V N -0.160 119.665 119.914 -0.149 0.000 2.343 500 V HA -0.322 3.797 4.120 -0.002 0.000 0.247 500 V C 1.990 177.992 176.094 -0.154 0.000 1.051 500 V CA 2.105 64.314 62.300 -0.151 0.000 1.036 500 V CB -0.478 31.295 31.823 -0.084 0.000 0.654 500 V HN 0.418 nan 8.190 nan 0.000 0.451 501 D N 0.243 120.575 120.400 -0.113 0.000 2.104 501 D HA -0.145 4.494 4.640 -0.002 0.000 0.194 501 D C 2.202 178.411 176.300 -0.151 0.000 0.994 501 D CA 1.644 55.570 54.000 -0.124 0.000 0.830 501 D CB -0.443 40.313 40.800 -0.074 0.000 0.959 501 D HN 0.428 nan 8.370 nan 0.000 0.452 502 G N 0.010 108.734 108.800 -0.126 0.000 2.418 502 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.217 502 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.217 502 G C 1.600 176.398 174.900 -0.169 0.000 1.158 502 G CA 0.362 45.387 45.100 -0.125 0.000 0.771 502 G HN 0.238 nan 8.290 nan 0.000 0.545 503 L N 0.006 121.110 121.223 -0.198 0.000 2.056 503 L HA 0.029 4.368 4.340 -0.002 0.000 0.207 503 L C 2.855 179.522 176.870 -0.339 0.000 1.078 503 L CA 0.565 55.261 54.840 -0.240 0.000 0.749 503 L CB -0.298 41.620 42.059 -0.235 0.000 0.901 503 L HN 0.200 nan 8.230 nan 0.000 0.433 504 I N -0.244 120.076 120.570 -0.417 0.000 2.226 504 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 504 I C 2.603 178.380 176.117 -0.568 0.000 1.100 504 I CA 1.441 62.303 61.300 -0.730 0.000 1.374 504 I CB -0.793 36.741 38.000 -0.777 0.000 1.057 504 I HN 0.284 nan 8.210 nan 0.000 0.413 505 G N 0.473 109.074 108.800 -0.332 0.000 2.440 505 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.218 505 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.218 505 G C 1.850 176.659 174.900 -0.151 0.000 1.154 505 G CA 0.859 45.839 45.100 -0.201 0.000 0.767 505 G HN 0.500 nan 8.290 nan 0.000 0.552 506 A N 1.069 123.792 122.820 -0.161 0.000 1.898 506 A HA 0.320 4.638 4.320 -0.002 0.000 0.216 506 A C 2.756 180.283 177.584 -0.095 0.000 1.181 506 A CA 2.125 54.097 52.037 -0.109 0.000 0.620 506 A CB -0.675 18.256 19.000 -0.114 0.000 0.819 506 A HN 0.810 nan 8.150 nan 0.000 0.442 507 A N -0.429 122.271 122.820 -0.200 0.000 2.066 507 A HA -0.089 4.229 4.320 -0.002 0.000 0.218 507 A C 1.717 179.383 177.584 0.137 0.000 1.157 507 A CA 1.282 53.202 52.037 -0.195 0.000 0.670 507 A CB -0.466 18.139 19.000 -0.658 0.000 0.804 507 A HN 0.475 nan 8.150 nan 0.000 0.453 508 N N -0.038 118.710 118.700 0.080 0.000 2.521 508 N HA -0.031 4.708 4.740 -0.002 0.000 0.188 508 N C 0.714 176.290 175.510 0.110 0.000 1.146 508 N CA 0.061 53.207 53.050 0.161 0.000 0.893 508 N CB -0.365 38.173 38.487 0.086 0.000 0.975 508 N HN 0.541 nan 8.380 nan 0.000 0.451 509 R N 0.757 121.308 120.500 0.085 0.000 2.697 509 R HA -0.046 4.293 4.340 -0.002 0.000 0.265 509 R C 1.309 177.658 176.300 0.082 0.000 1.009 509 R CA 0.132 56.273 56.100 0.068 0.000 1.099 509 R CB 0.423 30.760 30.300 0.062 0.000 0.965 509 R HN 0.065 nan 8.270 nan 0.000 0.428 510 I N 1.611 122.214 120.570 0.056 0.000 2.676 510 I HA -0.142 4.027 4.170 -0.002 0.000 0.259 510 I C 0.299 176.442 176.117 0.044 0.000 1.194 510 I CA 0.770 62.099 61.300 0.049 0.000 1.473 510 I CB -0.380 37.639 38.000 0.031 0.000 1.096 510 I HN 0.702 nan 8.210 nan 0.000 0.443 511 D N -1.880 118.547 120.400 0.044 0.000 2.744 511 D HA 0.116 4.755 4.640 -0.002 0.000 0.304 511 D C -0.234 176.096 176.300 0.050 0.000 1.179 511 D CA -0.749 53.271 54.000 0.034 0.000 1.024 511 D CB 0.353 41.159 40.800 0.010 0.000 1.453 511 D HN -0.245 nan 8.370 nan 0.000 0.529 512 N N -0.735 117.985 118.700 0.034 0.000 2.401 512 N HA 0.096 4.835 4.740 -0.002 0.000 0.264 512 N C -0.947 174.581 175.510 0.031 0.000 1.238 512 N CA -0.299 52.784 53.050 0.055 0.000 0.889 512 N CB 0.079 38.599 38.487 0.055 0.000 1.196 512 N HN 0.372 nan 8.380 nan 0.000 0.511 513 E N 0.122 120.327 120.200 0.009 0.000 2.652 513 E HA -0.150 4.199 4.350 -0.002 0.000 0.255 513 E C -0.203 176.461 176.600 0.107 0.000 0.952 513 E CA 0.538 56.907 56.400 -0.051 0.000 0.947 513 E CB 0.114 29.826 29.700 0.021 0.000 0.912 513 E HN 0.359 nan 8.360 nan 0.000 0.489 514 F N 2.364 122.352 119.950 0.064 0.000 3.100 514 F HA -0.367 4.159 4.527 -0.003 0.000 0.284 514 F C 0.857 176.728 175.800 0.117 0.000 0.875 514 F CA 0.647 58.704 58.000 0.095 0.000 1.039 514 F CB -1.571 37.500 39.000 0.118 0.000 1.111 514 F HN 0.650 nan 8.300 nan 0.000 0.575 515 N N -2.712 116.111 118.700 0.205 0.000 2.800 515 N HA -0.275 4.463 4.740 -0.002 0.000 0.250 515 N C 1.304 176.932 175.510 0.197 0.000 1.078 515 N CA 0.899 54.069 53.050 0.200 0.000 0.804 515 N CB -1.261 37.373 38.487 0.244 0.000 1.135 515 N HN 0.651 nan 8.380 nan 0.000 0.565 516 A N 0.548 123.480 122.820 0.186 0.000 1.917 516 A HA -0.198 4.121 4.320 -0.002 0.000 0.219 516 A C 2.224 179.871 177.584 0.105 0.000 1.182 516 A CA 2.135 54.253 52.037 0.135 0.000 0.633 516 A CB -0.378 18.693 19.000 0.118 0.000 0.819 516 A HN 0.476 nan 8.150 nan 0.000 0.448 517 R N -0.776 119.805 120.500 0.135 0.000 2.057 517 R HA 0.015 4.354 4.340 -0.002 0.000 0.229 517 R C 2.422 178.890 176.300 0.280 0.000 1.136 517 R CA 1.344 57.559 56.100 0.192 0.000 0.952 517 R CB -0.454 29.978 30.300 0.219 0.000 0.848 517 R HN 0.415 nan 8.270 nan 0.000 0.430 518 A N 0.617 123.574 122.820 0.229 0.000 1.883 518 A HA -0.216 4.103 4.320 -0.002 0.000 0.217 518 A C 2.162 179.850 177.584 0.174 0.000 1.186 518 A CA 2.233 54.405 52.037 0.225 0.000 0.624 518 A CB -0.837 18.265 19.000 0.170 0.000 0.822 518 A HN 0.611 nan 8.150 nan 0.000 0.444 519 S N 0.277 116.028 115.700 0.085 0.000 2.399 519 S HA 0.036 4.505 4.470 -0.002 0.000 0.231 519 S C 2.060 176.523 174.600 -0.228 0.000 1.022 519 S CA 1.248 59.347 58.200 -0.167 0.000 0.983 519 S CB -0.685 62.392 63.200 -0.206 0.000 0.803 519 S HN 0.900 nan 8.310 nan 0.000 0.480 520 A N 1.350 124.114 122.820 -0.095 0.000 1.902 520 A HA 0.095 4.414 4.320 -0.002 0.000 0.217 520 A C 1.890 179.363 177.584 -0.186 0.000 1.181 520 A CA 1.283 53.217 52.037 -0.171 0.000 0.623 520 A CB -1.068 17.823 19.000 -0.181 0.000 0.818 520 A HN 0.505 nan 8.150 nan 0.000 0.443 521 F N 0.921 120.852 119.950 -0.032 0.000 2.234 521 F HA -0.145 4.381 4.527 -0.003 0.000 0.299 521 F C 2.789 178.566 175.800 -0.038 0.000 1.087 521 F CA 1.555 59.559 58.000 0.007 0.000 1.340 521 F CB -0.249 38.779 39.000 0.047 0.000 1.031 521 F HN 0.152 nan 8.300 nan 0.000 0.500 522 S N 0.210 115.936 115.700 0.043 0.000 2.348 522 S HA -0.203 4.265 4.470 -0.002 0.000 0.221 522 S C 2.416 176.941 174.600 -0.125 0.000 1.033 522 S CA 1.022 59.185 58.200 -0.062 0.000 1.010 522 S CB -0.902 62.149 63.200 -0.248 0.000 0.891 522 S HN 0.374 nan 8.310 nan 0.000 0.442 523 A N 1.688 124.360 122.820 -0.247 0.000 1.917 523 A HA -0.099 4.220 4.320 -0.002 0.000 0.219 523 A C 2.155 179.668 177.584 -0.120 0.000 1.182 523 A CA 1.423 53.330 52.037 -0.217 0.000 0.633 523 A CB -0.913 17.928 19.000 -0.264 0.000 0.819 523 A HN 0.457 nan 8.150 nan 0.000 0.448 524 L N -0.891 120.275 121.223 -0.096 0.000 2.131 524 L HA -0.157 4.182 4.340 -0.002 0.000 0.210 524 L C 2.752 179.645 176.870 0.039 0.000 1.092 524 L CA 1.647 56.460 54.840 -0.044 0.000 0.759 524 L CB -0.716 41.320 42.059 -0.038 0.000 0.903 524 L HN 0.372 nan 8.230 nan 0.000 0.435 525 T N -1.358 113.236 114.554 0.066 0.000 2.777 525 T HA -0.169 4.180 4.350 -0.002 0.000 0.266 525 T C 1.903 176.676 174.700 0.122 0.000 1.040 525 T CA 1.837 63.997 62.100 0.100 0.000 1.141 525 T CB -0.222 68.709 68.868 0.104 0.000 0.868 525 T HN 0.333 nan 8.240 nan 0.000 0.444 526 T N 2.772 117.394 114.554 0.114 0.000 2.684 526 T HA -0.097 4.252 4.350 -0.002 0.000 0.267 526 T C 2.082 176.934 174.700 0.253 0.000 1.036 526 T CA 1.105 63.327 62.100 0.204 0.000 1.148 526 T CB -0.298 68.631 68.868 0.102 0.000 0.863 526 T HN 0.193 nan 8.240 nan 0.000 0.436 527 M N 0.820 120.482 119.600 0.102 0.000 2.108 527 M HA -0.058 4.421 4.480 -0.002 0.000 0.261 527 M C 2.489 178.990 176.300 0.334 0.000 1.066 527 M CA 1.184 56.537 55.300 0.089 0.000 1.107 527 M CB -1.569 30.939 32.600 -0.153 0.000 1.356 527 M HN 0.141 nan 8.290 nan 0.000 0.406 528 V N -0.001 120.045 119.914 0.220 0.000 2.358 528 V HA -0.231 3.888 4.120 -0.002 0.000 0.246 528 V C 2.278 178.479 176.094 0.178 0.000 1.047 528 V CA 1.690 64.109 62.300 0.198 0.000 1.035 528 V CB -0.713 31.189 31.823 0.131 0.000 0.658 528 V HN 0.452 nan 8.190 nan 0.000 0.452 529 E N -0.921 119.381 120.200 0.170 0.000 2.085 529 E HA -0.211 4.138 4.350 -0.002 0.000 0.194 529 E C 1.711 178.277 176.600 -0.056 0.000 0.994 529 E CA 1.654 58.071 56.400 0.027 0.000 0.801 529 E CB -0.099 29.590 29.700 -0.018 0.000 0.743 529 E HN 0.762 nan 8.360 nan 0.000 0.453 530 Y N -0.492 119.927 120.300 0.198 0.000 2.457 530 Y HA 0.338 4.886 4.550 -0.003 0.000 0.263 530 Y C 0.343 176.407 175.900 0.273 0.000 1.164 530 Y CA -0.298 57.946 58.100 0.241 0.000 1.274 530 Y CB 0.422 39.045 38.460 0.273 0.000 1.097 530 Y HN -0.079 nan 8.280 nan 0.000 0.523 531 A N 1.201 124.208 122.820 0.312 0.000 2.520 531 A HA 0.306 4.625 4.320 -0.002 0.000 0.245 531 A C 0.856 178.380 177.584 -0.100 0.000 1.072 531 A CA 0.329 52.408 52.037 0.071 0.000 0.761 531 A CB -0.296 18.784 19.000 0.133 0.000 1.004 531 A HN 0.358 nan 8.150 nan 0.000 0.499 532 T N -0.195 114.143 114.554 -0.360 0.000 2.884 532 T HA 0.356 4.705 4.350 -0.002 0.000 0.277 532 T C 0.477 175.022 174.700 -0.258 0.000 0.976 532 T CA -0.164 61.717 62.100 -0.365 0.000 0.956 532 T CB 0.704 69.196 68.868 -0.626 0.000 1.113 532 T HN 0.482 nan 8.240 nan 0.000 0.554 533 D N 0.935 121.214 120.400 -0.202 0.000 2.144 533 D HA -0.071 4.568 4.640 -0.002 0.000 0.200 533 D C 2.414 178.629 176.300 -0.142 0.000 0.978 533 D CA 1.986 55.904 54.000 -0.137 0.000 0.833 533 D CB -0.738 39.999 40.800 -0.104 0.000 0.961 533 D HN 0.851 nan 8.370 nan 0.000 0.470 534 T N -0.732 113.709 114.554 -0.188 0.000 2.946 534 T HA -0.113 4.236 4.350 -0.002 0.000 0.271 534 T C 1.632 176.249 174.700 -0.140 0.000 1.104 534 T CA 1.037 63.043 62.100 -0.157 0.000 1.114 534 T CB -0.400 68.365 68.868 -0.170 0.000 0.867 534 T HN 0.113 nan 8.240 nan 0.000 0.513 535 V N -2.170 117.635 119.914 -0.182 0.000 2.940 535 V HA 0.857 4.976 4.120 -0.002 0.000 0.366 535 V C 1.944 178.013 176.094 -0.043 0.000 1.353 535 V CA -0.570 61.668 62.300 -0.103 0.000 1.232 535 V CB -0.796 30.932 31.823 -0.159 0.000 1.278 535 V HN 0.358 nan 8.190 nan 0.000 0.546 536 A N 0.559 123.351 122.820 -0.047 0.000 1.933 536 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 536 A C 2.115 179.707 177.584 0.014 0.000 1.175 536 A CA 2.025 54.052 52.037 -0.016 0.000 0.628 536 A CB -0.329 18.655 19.000 -0.027 0.000 0.814 536 A HN 0.712 nan 8.150 nan 0.000 0.444 537 E N -0.251 119.957 120.200 0.013 0.000 2.085 537 E HA -0.215 4.134 4.350 -0.002 0.000 0.194 537 E C 2.083 178.711 176.600 0.046 0.000 0.994 537 E CA 1.913 58.327 56.400 0.024 0.000 0.801 537 E CB -0.196 29.514 29.700 0.016 0.000 0.743 537 E HN 0.746 nan 8.360 nan 0.000 0.453 538 T N -2.054 112.544 114.554 0.073 0.000 2.904 538 T HA -0.019 4.330 4.350 -0.002 0.000 0.267 538 T C 2.067 176.836 174.700 0.114 0.000 1.059 538 T CA 1.294 63.457 62.100 0.105 0.000 1.137 538 T CB -0.142 68.831 68.868 0.176 0.000 0.879 538 T HN -0.013 nan 8.240 nan 0.000 0.467 539 S N 1.858 117.627 115.700 0.115 0.000 2.359 539 S HA 0.024 4.493 4.470 -0.002 0.000 0.224 539 S C 2.625 177.273 174.600 0.079 0.000 1.035 539 S CA 1.194 59.457 58.200 0.105 0.000 1.018 539 S CB -0.986 62.264 63.200 0.083 0.000 0.876 539 S HN 0.810 nan 8.310 nan 0.000 0.448 540 A N 1.356 124.211 122.820 0.059 0.000 1.908 540 A HA -0.131 4.188 4.320 -0.002 0.000 0.218 540 A C 2.340 179.961 177.584 0.061 0.000 1.181 540 A CA 2.012 54.078 52.037 0.049 0.000 0.627 540 A CB -1.017 18.003 19.000 0.033 0.000 0.818 540 A HN 0.444 nan 8.150 nan 0.000 0.445 541 S N -0.192 115.546 115.700 0.064 0.000 2.359 541 S HA -0.180 4.289 4.470 -0.002 0.000 0.223 541 S C 1.813 176.481 174.600 0.113 0.000 1.039 541 S CA 1.705 59.947 58.200 0.070 0.000 1.042 541 S CB -0.529 62.696 63.200 0.043 0.000 0.915 541 S HN 0.560 nan 8.310 nan 0.000 0.439 542 I N 1.678 122.316 120.570 0.113 0.000 2.226 542 I HA -0.192 3.976 4.170 -0.002 0.000 0.245 542 I C 2.724 178.955 176.117 0.190 0.000 1.100 542 I CA 1.450 62.851 61.300 0.167 0.000 1.374 542 I CB -0.478 37.598 38.000 0.127 0.000 1.057 542 I HN 0.390 nan 8.210 nan 0.000 0.413 543 S N -0.408 115.362 115.700 0.117 0.000 2.387 543 S HA -0.151 4.317 4.470 -0.002 0.000 0.226 543 S C 2.010 176.644 174.600 0.056 0.000 1.026 543 S CA 1.590 59.835 58.200 0.076 0.000 0.972 543 S CB -0.809 62.419 63.200 0.045 0.000 0.814 543 S HN 0.339 nan 8.310 nan 0.000 0.477 544 T N 1.953 116.552 114.554 0.074 0.000 2.684 544 T HA -0.039 4.310 4.350 -0.002 0.000 0.267 544 T C 1.280 176.034 174.700 0.091 0.000 1.036 544 T CA 1.639 63.777 62.100 0.064 0.000 1.148 544 T CB -0.621 68.289 68.868 0.071 0.000 0.863 544 T HN 0.544 nan 8.240 nan 0.000 0.436 545 F N 2.627 122.585 119.950 0.014 0.000 2.102 545 F HA -0.123 4.403 4.527 -0.003 0.000 0.298 545 F C 2.317 178.147 175.800 0.049 0.000 1.105 545 F CA 1.343 59.355 58.000 0.020 0.000 1.239 545 F CB -0.789 38.211 39.000 0.000 0.000 0.991 545 F HN 0.058 nan 8.300 nan 0.000 0.474 546 V N -1.008 118.729 119.914 -0.296 0.000 2.548 546 V HA -0.199 3.920 4.120 -0.002 0.000 0.249 546 V C 2.266 178.231 176.094 -0.216 0.000 1.055 546 V CA 1.744 63.827 62.300 -0.361 0.000 1.065 546 V CB -0.906 30.909 31.823 -0.014 0.000 0.681 546 V HN 0.485 nan 8.190 nan 0.000 0.462 547 M N 0.744 120.265 119.600 -0.133 0.000 2.117 547 M HA -0.159 4.320 4.480 -0.002 0.000 0.262 547 M C 2.287 178.512 176.300 -0.126 0.000 1.065 547 M CA 2.531 57.756 55.300 -0.125 0.000 1.114 547 M CB -0.715 31.821 32.600 -0.106 0.000 1.361 547 M HN 0.523 nan 8.290 nan 0.000 0.408 548 D N 0.512 120.839 120.400 -0.121 0.000 2.144 548 D HA -0.182 4.457 4.640 -0.002 0.000 0.200 548 D C 1.843 178.069 176.300 -0.124 0.000 0.978 548 D CA 1.367 55.312 54.000 -0.090 0.000 0.833 548 D CB 0.106 40.885 40.800 -0.034 0.000 0.961 548 D HN 0.122 nan 8.370 nan 0.000 0.470 549 K N 0.102 120.356 120.400 -0.244 0.000 2.057 549 K HA -0.085 4.234 4.320 -0.002 0.000 0.206 549 K C 2.176 178.702 176.600 -0.124 0.000 1.050 549 K CA 0.431 56.587 56.287 -0.219 0.000 0.935 549 K CB -0.566 31.690 32.500 -0.406 0.000 0.715 549 K HN 0.085 nan 8.250 nan 0.000 0.439 550 L N 0.152 121.299 121.223 -0.127 0.000 2.083 550 L HA -0.025 4.314 4.340 -0.002 0.000 0.209 550 L C 1.968 178.806 176.870 -0.054 0.000 1.083 550 L CA 2.258 57.052 54.840 -0.077 0.000 0.752 550 L CB -1.070 40.943 42.059 -0.076 0.000 0.899 550 L HN 0.293 nan 8.230 nan 0.000 0.433 551 G N -1.508 107.254 108.800 -0.064 0.000 2.421 551 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.216 551 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.216 551 G C 1.436 176.324 174.900 -0.021 0.000 1.171 551 G CA 0.800 45.876 45.100 -0.041 0.000 0.775 551 G HN 0.515 nan 8.290 nan 0.000 0.543 552 Q N -0.069 119.717 119.800 -0.023 0.000 2.045 552 Q HA -0.167 4.172 4.340 -0.002 0.000 0.206 552 Q C 2.959 178.959 176.000 0.001 0.000 0.991 552 Q CA 2.273 58.072 55.803 -0.006 0.000 0.851 552 Q CB -0.590 28.148 28.738 -0.001 0.000 0.911 552 Q HN 0.653 nan 8.270 nan 0.000 0.418 553 T N -1.462 113.089 114.554 -0.004 0.000 2.897 553 T HA -0.139 4.210 4.350 -0.002 0.000 0.271 553 T C 1.633 176.344 174.700 0.019 0.000 1.084 553 T CA 1.262 63.367 62.100 0.008 0.000 1.123 553 T CB -0.100 68.771 68.868 0.005 0.000 0.865 553 T HN 0.172 nan 8.240 nan 0.000 0.496 554 M N 1.519 121.129 119.600 0.017 0.000 2.509 554 M HA 0.167 4.646 4.480 -0.002 0.000 0.250 554 M C 1.537 177.852 176.300 0.025 0.000 1.132 554 M CA 0.533 55.850 55.300 0.028 0.000 1.080 554 M CB 0.280 32.896 32.600 0.028 0.000 1.408 554 M HN 0.428 nan 8.290 nan 0.000 0.484 555 S N -0.453 115.257 115.700 0.017 0.000 2.506 555 S HA 0.366 4.834 4.470 -0.002 0.000 0.245 555 S C -0.020 174.590 174.600 0.016 0.000 1.088 555 S CA -0.687 57.523 58.200 0.017 0.000 1.099 555 S CB -0.412 62.796 63.200 0.013 0.000 0.805 555 S HN 0.036 nan 8.310 nan 0.000 0.461 556 V N 1.479 121.404 119.914 0.018 0.000 2.834 556 V HA 0.410 4.529 4.120 -0.002 0.000 0.313 556 V C -0.241 175.863 176.094 0.017 0.000 1.060 556 V CA -0.773 61.537 62.300 0.015 0.000 0.989 556 V CB 1.705 33.536 31.823 0.014 0.000 1.041 556 V HN 0.407 nan 8.190 nan 0.000 0.459 557 D N 2.192 122.600 120.400 0.014 0.000 2.479 557 D HA 0.167 4.806 4.640 -0.002 0.000 0.218 557 D C 1.032 177.339 176.300 0.011 0.000 1.131 557 D CA -0.256 53.752 54.000 0.014 0.000 0.916 557 D CB 0.889 41.696 40.800 0.012 0.000 1.022 557 D HN 0.752 nan 8.370 nan 0.000 0.515 558 E N 1.444 121.652 120.200 0.013 0.000 2.502 558 E HA -0.044 4.304 4.350 -0.002 0.000 0.194 558 E C 0.387 176.990 176.600 0.005 0.000 1.062 558 E CA -0.008 56.397 56.400 0.008 0.000 0.867 558 E CB 0.113 29.819 29.700 0.010 0.000 0.888 558 E HN 0.135 nan 8.360 nan 0.000 0.510 559 N N 1.168 119.873 118.700 0.008 0.000 2.422 559 N HA -0.071 4.667 4.740 -0.002 0.000 0.181 559 N C 1.004 176.516 175.510 0.003 0.000 1.080 559 N CA 0.544 53.597 53.050 0.006 0.000 0.893 559 N CB 0.315 38.808 38.487 0.010 0.000 0.973 559 N HN 0.238 nan 8.380 nan 0.000 0.456 560 Q N 0.256 120.058 119.800 0.004 0.000 2.201 560 Q HA 0.263 4.601 4.340 -0.002 0.000 0.217 560 Q C -1.071 174.929 176.000 -0.001 0.000 0.860 560 Q CA -0.079 55.726 55.803 0.002 0.000 0.984 560 Q CB 0.099 28.840 28.738 0.004 0.000 1.095 560 Q HN 0.005 nan 8.270 nan 0.000 0.477 561 L N 1.020 122.240 121.223 -0.004 0.000 2.341 561 L HA 0.425 4.764 4.340 -0.002 0.000 0.278 561 L C -0.095 176.768 176.870 -0.012 0.000 1.005 561 L CA -0.372 54.463 54.840 -0.008 0.000 0.818 561 L CB 1.727 43.780 42.059 -0.010 0.000 1.259 561 L HN 0.193 nan 8.230 nan 0.000 0.418 562 T N 0.833 115.380 114.554 -0.013 0.000 2.926 562 T HA 0.104 4.453 4.350 -0.002 0.000 0.307 562 T C 1.397 176.083 174.700 -0.023 0.000 1.059 562 T CA -0.393 61.697 62.100 -0.015 0.000 1.122 562 T CB 0.498 69.358 68.868 -0.014 0.000 0.972 562 T HN 0.528 nan 8.240 nan 0.000 0.545 563 L N 1.548 122.756 121.223 -0.024 0.000 2.010 563 L HA -0.171 4.168 4.340 -0.002 0.000 0.219 563 L C 2.756 179.601 176.870 -0.041 0.000 1.077 563 L CA 2.388 57.208 54.840 -0.033 0.000 0.773 563 L CB -1.043 40.998 42.059 -0.029 0.000 0.892 563 L HN 1.010 nan 8.230 nan 0.000 0.436 564 E N -1.014 119.165 120.200 -0.035 0.000 2.114 564 E HA -0.280 4.069 4.350 -0.002 0.000 0.199 564 E C 1.693 178.269 176.600 -0.041 0.000 1.008 564 E CA 1.738 58.115 56.400 -0.038 0.000 0.810 564 E CB -0.062 29.619 29.700 -0.031 0.000 0.739 564 E HN 0.625 nan 8.360 nan 0.000 0.456 565 D N -0.483 119.897 120.400 -0.034 0.000 2.149 565 D HA -0.070 4.569 4.640 -0.002 0.000 0.201 565 D C 1.755 178.029 176.300 -0.042 0.000 0.972 565 D CA 1.067 55.048 54.000 -0.032 0.000 0.835 565 D CB -0.188 40.599 40.800 -0.021 0.000 0.966 565 D HN 0.239 nan 8.370 nan 0.000 0.476 566 A N 0.926 123.716 122.820 -0.049 0.000 1.930 566 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 566 A C 2.069 179.586 177.584 -0.111 0.000 1.175 566 A CA 1.142 53.139 52.037 -0.067 0.000 0.627 566 A CB -0.252 18.712 19.000 -0.060 0.000 0.815 566 A HN 0.038 nan 8.150 nan 0.000 0.443 567 Q N -0.299 119.434 119.800 -0.110 0.000 2.230 567 Q HA -0.012 4.327 4.340 -0.002 0.000 0.202 567 Q C 2.262 178.191 176.000 -0.119 0.000 0.963 567 Q CA 1.294 57.011 55.803 -0.142 0.000 0.866 567 Q CB -0.566 28.107 28.738 -0.108 0.000 0.931 567 Q HN 0.587 nan 8.270 nan 0.000 0.452 568 S N 0.824 116.477 115.700 -0.079 0.000 2.368 568 S HA -0.082 4.387 4.470 -0.002 0.000 0.224 568 S C 1.819 176.386 174.600 -0.055 0.000 1.029 568 S CA 0.529 58.697 58.200 -0.055 0.000 0.988 568 S CB -0.101 63.078 63.200 -0.035 0.000 0.838 568 S HN 0.210 nan 8.310 nan 0.000 0.462 569 L N 1.867 123.054 121.223 -0.061 0.000 2.046 569 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 569 L C 2.298 179.132 176.870 -0.059 0.000 1.077 569 L CA 1.789 56.602 54.840 -0.045 0.000 0.747 569 L CB -0.638 41.399 42.059 -0.036 0.000 0.896 569 L HN 0.309 nan 8.230 nan 0.000 0.432 570 Q N -1.021 118.687 119.800 -0.153 0.000 2.167 570 Q HA -0.260 4.079 4.340 -0.002 0.000 0.202 570 Q C 2.070 178.018 176.000 -0.086 0.000 0.970 570 Q CA 1.594 57.231 55.803 -0.277 0.000 0.855 570 Q CB -0.140 28.067 28.738 -0.884 0.000 0.911 570 Q HN 0.641 nan 8.270 nan 0.000 0.438 571 E N 0.801 120.948 120.200 -0.089 0.000 2.077 571 E HA -0.233 4.116 4.350 -0.002 0.000 0.193 571 E C 1.935 178.515 176.600 -0.034 0.000 0.989 571 E CA 0.916 57.301 56.400 -0.026 0.000 0.800 571 E CB -0.039 29.645 29.700 -0.026 0.000 0.746 571 E HN 0.246 nan 8.360 nan 0.000 0.452 572 L N 1.078 122.263 121.223 -0.063 0.000 2.093 572 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 572 L C 2.150 178.912 176.870 -0.180 0.000 1.085 572 L CA 1.765 56.512 54.840 -0.155 0.000 0.755 572 L CB -0.434 41.568 42.059 -0.094 0.000 0.904 572 L HN 0.177 nan 8.230 nan 0.000 0.435 573 Q N -0.895 118.891 119.800 -0.023 0.000 2.084 573 Q HA -0.163 4.176 4.340 -0.002 0.000 0.202 573 Q C 2.221 178.238 176.000 0.029 0.000 0.978 573 Q CA 1.822 57.646 55.803 0.034 0.000 0.844 573 Q CB -0.231 28.623 28.738 0.193 0.000 0.898 573 Q HN 0.553 nan 8.270 nan 0.000 0.426 574 S N 1.265 117.038 115.700 0.123 0.000 2.359 574 S HA -0.152 4.317 4.470 -0.002 0.000 0.224 574 S C 1.627 176.208 174.600 -0.032 0.000 1.035 574 S CA 1.317 59.564 58.200 0.079 0.000 1.018 574 S CB -0.340 62.952 63.200 0.153 0.000 0.876 574 S HN 0.379 nan 8.310 nan 0.000 0.448 575 N N 1.623 120.242 118.700 -0.134 0.000 2.061 575 N HA -0.051 4.687 4.740 -0.002 0.000 0.193 575 N C 1.662 176.978 175.510 -0.322 0.000 1.030 575 N CA 1.166 54.057 53.050 -0.263 0.000 0.856 575 N CB -0.565 37.599 38.487 -0.538 0.000 1.023 575 N HN 0.404 nan 8.380 nan 0.000 0.424 576 I N 0.466 120.789 120.570 -0.412 0.000 2.226 576 I HA -0.216 3.953 4.170 -0.002 0.000 0.245 576 I C 2.048 178.153 176.117 -0.020 0.000 1.100 576 I CA 0.687 61.863 61.300 -0.207 0.000 1.374 576 I CB -0.157 37.736 38.000 -0.178 0.000 1.057 576 I HN 0.034 nan 8.210 nan 0.000 0.413 577 L N 0.096 121.308 121.223 -0.017 0.000 2.141 577 L HA -0.193 4.146 4.340 -0.002 0.000 0.209 577 L C 2.556 179.451 176.870 0.042 0.000 1.094 577 L CA 1.550 56.407 54.840 0.028 0.000 0.763 577 L CB -0.547 41.508 42.059 -0.006 0.000 0.908 577 L HN 0.209 nan 8.230 nan 0.000 0.437 578 T N -1.294 113.285 114.554 0.042 0.000 2.720 578 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 578 T C 1.911 176.666 174.700 0.091 0.000 1.037 578 T CA 1.640 63.779 62.100 0.065 0.000 1.144 578 T CB -0.206 68.709 68.868 0.079 0.000 0.864 578 T HN 0.103 nan 8.240 nan 0.000 0.444 579 V N 1.331 121.322 119.914 0.128 0.000 2.358 579 V HA -0.072 4.047 4.120 -0.002 0.000 0.246 579 V C 2.473 178.635 176.094 0.114 0.000 1.047 579 V CA 1.357 63.748 62.300 0.151 0.000 1.035 579 V CB -0.654 31.312 31.823 0.238 0.000 0.658 579 V HN 0.430 nan 8.190 nan 0.000 0.452 580 L N 0.020 121.307 121.223 0.107 0.000 2.141 580 L HA -0.135 4.204 4.340 -0.002 0.000 0.209 580 L C 2.704 179.632 176.870 0.096 0.000 1.094 580 L CA 1.316 56.221 54.840 0.108 0.000 0.763 580 L CB -0.724 41.427 42.059 0.154 0.000 0.908 580 L HN 0.372 nan 8.230 nan 0.000 0.437 581 A N 0.183 123.046 122.820 0.072 0.000 1.858 581 A HA -0.181 4.138 4.320 -0.002 0.000 0.216 581 A C 2.562 180.165 177.584 0.033 0.000 1.190 581 A CA 1.720 53.779 52.037 0.038 0.000 0.617 581 A CB -0.764 18.246 19.000 0.017 0.000 0.827 581 A HN 0.380 nan 8.150 nan 0.000 0.443 582 A N -0.640 122.207 122.820 0.045 0.000 1.908 582 A HA -0.057 4.262 4.320 -0.002 0.000 0.218 582 A C 2.254 179.863 177.584 0.041 0.000 1.181 582 A CA 1.938 54.000 52.037 0.042 0.000 0.627 582 A CB -1.022 18.017 19.000 0.065 0.000 0.818 582 A HN 0.414 nan 8.150 nan 0.000 0.445 583 V N 0.017 119.964 119.914 0.055 0.000 2.343 583 V HA -0.264 3.855 4.120 -0.002 0.000 0.247 583 V C 2.409 178.522 176.094 0.030 0.000 1.051 583 V CA 2.115 64.444 62.300 0.049 0.000 1.036 583 V CB -0.582 31.274 31.823 0.056 0.000 0.654 583 V HN 0.588 nan 8.190 nan 0.000 0.451 584 I N -0.912 119.676 120.570 0.031 0.000 2.315 584 I HA -0.191 3.978 4.170 -0.002 0.000 0.248 584 I C 2.721 178.836 176.117 -0.004 0.000 1.117 584 I CA 1.328 62.638 61.300 0.016 0.000 1.404 584 I CB -0.401 37.615 38.000 0.026 0.000 1.071 584 I HN 0.157 nan 8.210 nan 0.000 0.419 585 R N 0.669 121.166 120.500 -0.006 0.000 2.081 585 R HA -0.203 4.135 4.340 -0.002 0.000 0.235 585 R C 2.252 178.540 176.300 -0.020 0.000 1.131 585 R CA 1.546 57.635 56.100 -0.019 0.000 0.960 585 R CB -0.020 30.266 30.300 -0.023 0.000 0.856 585 R HN 0.114 nan 8.270 nan 0.000 0.436 586 K N -0.540 119.854 120.400 -0.010 0.000 2.121 586 K HA 0.099 4.417 4.320 -0.002 0.000 0.203 586 K C 0.342 176.936 176.600 -0.010 0.000 1.041 586 K CA 1.072 57.351 56.287 -0.013 0.000 0.969 586 K CB 0.568 33.066 32.500 -0.002 0.000 0.799 586 K HN -0.113 nan 8.250 nan 0.000 0.456 587 S N 2.454 118.155 115.700 0.001 0.000 2.312 587 S HA 0.251 4.720 4.470 -0.002 0.000 0.211 587 S C -2.304 172.295 174.600 -0.002 0.000 1.315 587 S CA -1.159 57.041 58.200 0.000 0.000 1.267 587 S CB 1.096 64.304 63.200 0.012 0.000 1.072 587 S HN 0.255 nan 8.310 nan 0.000 0.490 588 P HA -0.011 nan 4.420 nan 0.000 0.214 588 P C 0.717 178.011 177.300 -0.009 0.000 1.162 588 P CA 0.926 64.020 63.100 -0.010 0.000 0.874 588 P CB -0.202 31.486 31.700 -0.020 0.000 0.784 589 S N -0.279 115.414 115.700 -0.011 0.000 2.981 589 S HA 0.092 4.561 4.470 -0.002 0.000 0.235 589 S C 0.974 175.570 174.600 -0.006 0.000 0.983 589 S CA 0.406 58.601 58.200 -0.009 0.000 1.051 589 S CB -1.001 62.192 63.200 -0.012 0.000 0.814 589 S HN 0.147 nan 8.310 nan 0.000 0.518 590 S N -0.515 115.183 115.700 -0.004 0.000 2.820 590 S HA 0.072 4.541 4.470 -0.002 0.000 0.265 590 S C 1.237 175.836 174.600 -0.001 0.000 1.043 590 S CA -0.013 58.186 58.200 -0.002 0.000 1.245 590 S CB 0.611 63.811 63.200 -0.001 0.000 1.187 590 S HN 0.500 nan 8.310 nan 0.000 0.673 591 V N 0.801 120.712 119.914 -0.004 0.000 3.644 591 V HA 0.154 4.273 4.120 -0.002 0.000 0.267 591 V C 1.918 178.003 176.094 -0.015 0.000 1.277 591 V CA 0.861 63.154 62.300 -0.013 0.000 1.096 591 V CB -0.583 31.228 31.823 -0.020 0.000 0.828 591 V HN 0.479 nan 8.190 nan 0.000 0.446 592 E N 2.692 122.890 120.200 -0.004 0.000 2.153 592 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 592 E C -0.100 176.507 176.600 0.012 0.000 0.988 592 E CA 1.560 57.965 56.400 0.008 0.000 0.811 592 E CB -1.904 27.805 29.700 0.015 0.000 0.746 592 E HN 0.537 nan 8.360 nan 0.000 0.466 593 P HA -0.140 nan 4.420 nan 0.000 0.220 593 P C 0.748 178.050 177.300 0.002 0.000 1.144 593 P CA 1.475 64.579 63.100 0.007 0.000 0.800 593 P CB 0.005 31.707 31.700 0.003 0.000 0.772 594 V N -5.352 114.555 119.914 -0.011 0.000 2.925 594 V HA 0.605 4.724 4.120 -0.002 0.000 0.361 594 V C 1.745 177.807 176.094 -0.053 0.000 1.361 594 V CA -0.016 62.269 62.300 -0.026 0.000 1.184 594 V CB -0.368 31.433 31.823 -0.037 0.000 1.245 594 V HN -0.067 nan 8.190 nan 0.000 0.575 595 A N 0.160 122.962 122.820 -0.030 0.000 1.972 595 A HA -0.198 4.121 4.320 -0.002 0.000 0.219 595 A C 1.967 179.503 177.584 -0.079 0.000 1.169 595 A CA 2.125 54.129 52.037 -0.055 0.000 0.635 595 A CB -0.444 18.565 19.000 0.015 0.000 0.810 595 A HN 0.574 nan 8.150 nan 0.000 0.446 596 D N 0.201 120.610 120.400 0.016 0.000 2.104 596 D HA -0.190 4.449 4.640 -0.002 0.000 0.194 596 D C 2.132 178.416 176.300 -0.027 0.000 0.994 596 D CA 2.051 56.094 54.000 0.071 0.000 0.830 596 D CB -0.154 40.708 40.800 0.103 0.000 0.959 596 D HN 0.681 nan 8.370 nan 0.000 0.452 597 M N -1.001 118.558 119.600 -0.068 0.000 2.388 597 M HA 0.038 4.517 4.480 -0.002 0.000 0.265 597 M C 2.257 178.423 176.300 -0.224 0.000 1.088 597 M CA 0.691 55.928 55.300 -0.104 0.000 1.134 597 M CB -0.233 32.322 32.600 -0.075 0.000 1.384 597 M HN -0.087 nan 8.290 nan 0.000 0.447 598 L N 0.814 121.856 121.223 -0.302 0.000 2.027 598 L HA -0.140 4.199 4.340 -0.002 0.000 0.206 598 L C 2.625 179.028 176.870 -0.779 0.000 1.074 598 L CA 1.386 55.888 54.840 -0.564 0.000 0.745 598 L CB -0.245 41.518 42.059 -0.493 0.000 0.898 598 L HN 0.408 nan 8.230 nan 0.000 0.433 599 M N -0.649 118.616 119.600 -0.558 0.000 2.159 599 M HA -0.127 4.351 4.480 -0.002 0.000 0.263 599 M C 2.256 178.281 176.300 -0.459 0.000 1.063 599 M CA 1.592 56.512 55.300 -0.633 0.000 1.110 599 M CB -1.873 30.158 32.600 -0.947 0.000 1.374 599 M HN 0.293 nan 8.290 nan 0.000 0.411 600 G N 0.378 109.046 108.800 -0.220 0.000 2.446 600 G HA2 -0.194 3.764 3.960 -0.002 0.000 0.217 600 G HA3 -0.194 3.764 3.960 -0.002 0.000 0.217 600 G C 1.676 176.542 174.900 -0.056 0.000 1.168 600 G CA 0.684 45.767 45.100 -0.029 0.000 0.771 600 G HN 0.423 nan 8.290 nan 0.000 0.551 601 L N -0.657 120.446 121.223 -0.200 0.000 2.056 601 L HA 0.016 4.354 4.340 -0.002 0.000 0.207 601 L C 2.730 179.572 176.870 -0.047 0.000 1.078 601 L CA 0.605 55.350 54.840 -0.158 0.000 0.749 601 L CB -0.456 41.440 42.059 -0.272 0.000 0.901 601 L HN 0.053 nan 8.230 nan 0.000 0.433 602 F N -0.352 119.473 119.950 -0.208 0.000 2.095 602 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 602 F C 2.337 178.023 175.800 -0.190 0.000 1.104 602 F CA 1.101 58.938 58.000 -0.271 0.000 1.232 602 F CB -1.130 37.599 39.000 -0.453 0.000 0.987 602 F HN -0.043 nan 8.300 nan 0.000 0.475 603 F N 0.011 120.021 119.950 0.099 0.000 2.234 603 F HA -0.066 4.460 4.527 -0.002 0.000 0.299 603 F C 2.438 178.263 175.800 0.042 0.000 1.087 603 F CA 0.805 58.829 58.000 0.039 0.000 1.340 603 F CB -0.983 38.060 39.000 0.072 0.000 1.031 603 F HN -0.109 nan 8.300 nan 0.000 0.500 604 R N -0.118 120.516 120.500 0.222 0.000 2.075 604 R HA -0.102 4.237 4.340 -0.002 0.000 0.232 604 R C 2.305 178.674 176.300 0.115 0.000 1.126 604 R CA 0.913 57.099 56.100 0.144 0.000 0.963 604 R CB -0.660 29.698 30.300 0.096 0.000 0.858 604 R HN 0.293 nan 8.270 nan 0.000 0.435 605 L N 0.752 122.032 121.223 0.096 0.000 2.013 605 L HA -0.253 4.086 4.340 -0.002 0.000 0.212 605 L C 2.325 179.227 176.870 0.052 0.000 1.073 605 L CA 1.506 56.385 54.840 0.065 0.000 0.753 605 L CB -0.347 41.737 42.059 0.042 0.000 0.890 605 L HN 0.273 nan 8.230 nan 0.000 0.432 606 L N -0.946 120.300 121.223 0.039 0.000 2.201 606 L HA -0.202 4.137 4.340 -0.002 0.000 0.212 606 L C 2.347 179.329 176.870 0.188 0.000 1.105 606 L CA 0.995 55.853 54.840 0.031 0.000 0.775 606 L CB -0.340 41.553 42.059 -0.276 0.000 0.913 606 L HN 0.290 nan 8.230 nan 0.000 0.440 607 E N -0.111 120.199 120.200 0.183 0.000 2.152 607 E HA -0.063 4.286 4.350 -0.002 0.000 0.192 607 E C 0.416 177.092 176.600 0.127 0.000 0.983 607 E CA 0.315 56.820 56.400 0.174 0.000 0.818 607 E CB 0.292 30.079 29.700 0.145 0.000 0.758 607 E HN 0.299 nan 8.360 nan 0.000 0.467 608 K N 2.284 122.753 120.400 0.114 0.000 2.485 608 K HA -0.023 4.296 4.320 -0.002 0.000 0.277 608 K C -0.125 176.538 176.600 0.105 0.000 0.990 608 K CA 0.307 56.655 56.287 0.101 0.000 0.994 608 K CB 0.387 32.953 32.500 0.109 0.000 0.906 608 K HN -0.104 nan 8.250 nan 0.000 0.488 609 K N 1.098 121.550 120.400 0.087 0.000 2.154 609 K HA 0.160 4.479 4.320 -0.002 0.000 0.264 609 K C -0.311 176.349 176.600 0.100 0.000 1.008 609 K CA -0.497 55.840 56.287 0.083 0.000 0.937 609 K CB 0.403 32.938 32.500 0.057 0.000 1.002 609 K HN 0.559 nan 8.250 nan 0.000 0.469 610 D N -0.623 119.843 120.400 0.110 0.000 2.947 610 D HA -0.160 4.479 4.640 -0.002 0.000 0.224 610 D C -0.025 176.445 176.300 0.283 0.000 1.132 610 D CA 1.325 55.420 54.000 0.158 0.000 0.801 610 D CB -1.552 39.311 40.800 0.105 0.000 1.097 610 D HN 0.626 nan 8.370 nan 0.000 0.431 611 S N -1.714 114.103 115.700 0.195 0.000 2.528 611 S HA 0.308 4.776 4.470 -0.002 0.000 0.219 611 S C 2.223 176.844 174.600 0.036 0.000 0.985 611 S CA 0.400 58.669 58.200 0.115 0.000 0.914 611 S CB 0.410 63.652 63.200 0.071 0.000 0.776 611 S HN 0.462 nan 8.310 nan 0.000 0.526 612 A N 2.561 125.460 122.820 0.131 0.000 1.917 612 A HA -0.047 4.272 4.320 -0.002 0.000 0.219 612 A C 1.928 179.557 177.584 0.074 0.000 1.182 612 A CA 1.712 53.800 52.037 0.085 0.000 0.633 612 A CB -1.382 17.678 19.000 0.100 0.000 0.819 612 A HN 0.900 nan 8.150 nan 0.000 0.448 613 F N -1.655 118.302 119.950 0.011 0.000 2.269 613 F HA 0.066 4.592 4.527 -0.002 0.000 0.301 613 F C 1.545 177.352 175.800 0.012 0.000 1.082 613 F CA 1.456 59.462 58.000 0.011 0.000 1.360 613 F CB -0.170 38.835 39.000 0.008 0.000 1.041 613 F HN 0.140 nan 8.300 nan 0.000 0.512 614 I N -0.661 119.346 120.570 -0.938 0.000 4.240 614 I HA 0.087 4.256 4.170 -0.002 0.000 0.331 614 I C 1.635 177.522 176.117 -0.383 0.000 1.381 614 I CA 0.118 60.949 61.300 -0.782 0.000 1.136 614 I CB -0.121 37.151 38.000 -1.213 0.000 1.137 614 I HN 0.049 nan 8.210 nan 0.000 0.411 615 E N 0.884 120.929 120.200 -0.259 0.000 2.023 615 E HA -0.254 4.094 4.350 -0.002 0.000 0.196 615 E C 1.241 177.762 176.600 -0.132 0.000 1.003 615 E CA 1.929 58.239 56.400 -0.150 0.000 0.809 615 E CB 0.062 29.719 29.700 -0.070 0.000 0.755 615 E HN 0.432 nan 8.360 nan 0.000 0.449 616 D N 0.685 121.006 120.400 -0.132 0.000 2.123 616 D HA -0.161 4.478 4.640 -0.002 0.000 0.196 616 D C 1.559 177.809 176.300 -0.084 0.000 0.992 616 D CA 1.062 54.957 54.000 -0.175 0.000 0.833 616 D CB -0.419 40.318 40.800 -0.105 0.000 0.954 616 D HN 0.128 nan 8.370 nan 0.000 0.455 617 D N 0.097 120.494 120.400 -0.004 0.000 2.104 617 D HA -0.112 4.526 4.640 -0.002 0.000 0.194 617 D C 2.301 178.543 176.300 -0.097 0.000 0.994 617 D CA 0.571 54.598 54.000 0.044 0.000 0.830 617 D CB -0.386 40.388 40.800 -0.043 0.000 0.959 617 D HN 0.093 nan 8.370 nan 0.000 0.452 618 V N 0.742 120.516 119.914 -0.233 0.000 2.358 618 V HA -0.214 3.905 4.120 -0.002 0.000 0.246 618 V C 2.170 178.029 176.094 -0.392 0.000 1.047 618 V CA 1.178 63.195 62.300 -0.471 0.000 1.035 618 V CB -0.579 30.987 31.823 -0.428 0.000 0.658 618 V HN 0.076 nan 8.190 nan 0.000 0.452 619 F N 0.113 119.871 119.950 -0.320 0.000 2.126 619 F HA -0.233 4.291 4.527 -0.004 0.000 0.299 619 F C 2.224 177.902 175.800 -0.203 0.000 1.096 619 F CA 1.685 59.555 58.000 -0.216 0.000 1.255 619 F CB -0.424 38.413 39.000 -0.270 0.000 0.997 619 F HN 0.167 nan 8.300 nan 0.000 0.479 620 Y N -0.315 119.958 120.300 -0.045 0.000 2.181 620 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 620 Y C 2.625 178.379 175.900 -0.245 0.000 1.146 620 Y CA 0.919 58.950 58.100 -0.114 0.000 1.164 620 Y CB -0.851 37.590 38.460 -0.031 0.000 0.982 620 Y HN 0.151 nan 8.280 nan 0.000 0.515 621 A N 0.354 123.080 122.820 -0.155 0.000 1.877 621 A HA -0.181 4.138 4.320 -0.002 0.000 0.216 621 A C 2.154 179.539 177.584 -0.331 0.000 1.186 621 A CA 1.735 53.613 52.037 -0.265 0.000 0.620 621 A CB -1.024 17.708 19.000 -0.447 0.000 0.822 621 A HN 0.493 nan 8.150 nan 0.000 0.443 622 I N -0.258 120.002 120.570 -0.517 0.000 2.226 622 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 622 I C 2.684 178.488 176.117 -0.521 0.000 1.100 622 I CA 1.421 62.419 61.300 -0.504 0.000 1.374 622 I CB -0.256 37.345 38.000 -0.666 0.000 1.057 622 I HN 0.232 nan 8.210 nan 0.000 0.413 623 S N 0.693 116.072 115.700 -0.535 0.000 2.368 623 S HA -0.164 4.305 4.470 -0.002 0.000 0.225 623 S C 2.240 176.718 174.600 -0.202 0.000 1.030 623 S CA 1.402 59.389 58.200 -0.354 0.000 0.999 623 S CB -0.349 62.640 63.200 -0.350 0.000 0.844 623 S HN 0.550 nan 8.310 nan 0.000 0.459 624 A N 1.048 123.770 122.820 -0.164 0.000 1.930 624 A HA 0.015 4.334 4.320 -0.002 0.000 0.217 624 A C 2.087 179.596 177.584 -0.124 0.000 1.175 624 A CA 1.079 53.050 52.037 -0.110 0.000 0.627 624 A CB -0.610 18.349 19.000 -0.068 0.000 0.815 624 A HN 0.398 nan 8.150 nan 0.000 0.443 625 L N -0.176 120.962 121.223 -0.141 0.000 2.046 625 L HA -0.056 4.283 4.340 -0.002 0.000 0.208 625 L C 2.720 179.479 176.870 -0.185 0.000 1.077 625 L CA 2.026 56.797 54.840 -0.116 0.000 0.747 625 L CB -0.833 41.188 42.059 -0.063 0.000 0.896 625 L HN 0.356 nan 8.230 nan 0.000 0.432 626 A N -0.459 122.132 122.820 -0.383 0.000 1.883 626 A HA -0.202 4.117 4.320 -0.002 0.000 0.217 626 A C 2.486 179.859 177.584 -0.351 0.000 1.186 626 A CA 2.122 53.779 52.037 -0.634 0.000 0.624 626 A CB -1.286 17.087 19.000 -1.046 0.000 0.822 626 A HN 0.565 nan 8.150 nan 0.000 0.444 627 A N -0.305 122.356 122.820 -0.266 0.000 1.892 627 A HA -0.168 4.151 4.320 -0.002 0.000 0.218 627 A C 2.441 179.951 177.584 -0.123 0.000 1.188 627 A CA 2.458 54.385 52.037 -0.183 0.000 0.631 627 A CB -1.006 17.912 19.000 -0.136 0.000 0.822 627 A HN 0.540 nan 8.150 nan 0.000 0.447 628 S N -0.321 115.320 115.700 -0.099 0.000 2.402 628 S HA -0.009 4.460 4.470 -0.002 0.000 0.229 628 S C 1.793 176.373 174.600 -0.034 0.000 1.021 628 S CA 1.293 59.459 58.200 -0.057 0.000 0.974 628 S CB -0.355 62.819 63.200 -0.043 0.000 0.800 628 S HN 0.491 nan 8.310 nan 0.000 0.484 629 L N 0.678 121.887 121.223 -0.024 0.000 2.095 629 L HA 0.140 4.479 4.340 -0.002 0.000 0.204 629 L C 1.801 178.694 176.870 0.039 0.000 1.080 629 L CA 0.741 55.604 54.840 0.039 0.000 0.759 629 L CB -1.162 40.976 42.059 0.131 0.000 0.914 629 L HN 0.562 nan 8.230 nan 0.000 0.439 630 G N 0.100 108.905 108.800 0.008 0.000 2.498 630 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.245 630 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.245 630 G C 0.593 175.534 174.900 0.068 0.000 1.204 630 G CA 0.244 45.349 45.100 0.009 0.000 0.933 630 G HN 0.170 nan 8.290 nan 0.000 0.574 631 K N 0.866 121.304 120.400 0.063 0.000 2.113 631 K HA -0.115 4.204 4.320 -0.002 0.000 0.208 631 K C 2.690 179.353 176.600 0.106 0.000 1.047 631 K CA 1.669 58.006 56.287 0.083 0.000 0.928 631 K CB -0.632 31.903 32.500 0.058 0.000 0.716 631 K HN 0.776 nan 8.250 nan 0.000 0.446 632 G N 0.607 109.471 108.800 0.105 0.000 2.527 632 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.219 632 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.219 632 G C 1.146 176.131 174.900 0.143 0.000 1.117 632 G CA 0.179 45.340 45.100 0.100 0.000 0.759 632 G HN 0.263 nan 8.290 nan 0.000 0.556 633 F N 0.958 120.962 119.950 0.090 0.000 2.661 633 F HA 0.145 4.672 4.527 -0.000 0.000 0.298 633 F C 2.306 178.181 175.800 0.124 0.000 1.137 633 F CA 0.901 59.016 58.000 0.192 0.000 1.454 633 F CB 0.132 39.234 39.000 0.169 0.000 1.103 633 F HN 0.347 nan 8.300 nan 0.000 0.577 634 E N 1.373 121.609 120.200 0.061 0.000 2.160 634 E HA -0.278 4.070 4.350 -0.002 0.000 0.195 634 E C 2.091 178.612 176.600 -0.132 0.000 0.991 634 E CA 1.833 58.248 56.400 0.025 0.000 0.810 634 E CB -0.259 29.497 29.700 0.095 0.000 0.742 634 E HN 0.552 nan 8.360 nan 0.000 0.466 635 K N -0.393 119.816 120.400 -0.318 0.000 2.281 635 K HA -0.199 4.120 4.320 -0.002 0.000 0.203 635 K C 1.038 177.364 176.600 -0.457 0.000 1.046 635 K CA 1.538 57.568 56.287 -0.428 0.000 0.938 635 K CB -0.348 31.806 32.500 -0.577 0.000 0.737 635 K HN 0.335 nan 8.250 nan 0.000 0.458 636 Y N 0.958 121.086 120.300 -0.287 0.000 2.462 636 Y HA 0.223 4.772 4.550 -0.002 0.000 0.261 636 Y C 2.035 177.888 175.900 -0.077 0.000 1.146 636 Y CA -0.452 57.519 58.100 -0.216 0.000 1.283 636 Y CB -0.115 38.095 38.460 -0.416 0.000 1.090 636 Y HN -0.117 nan 8.280 nan 0.000 0.526 637 L N 0.370 121.604 121.223 0.018 0.000 2.012 637 L HA -0.262 4.077 4.340 -0.002 0.000 0.210 637 L C 2.608 179.608 176.870 0.216 0.000 1.073 637 L CA 1.989 56.957 54.840 0.213 0.000 0.748 637 L CB -0.299 41.789 42.059 0.049 0.000 0.891 637 L HN 0.333 nan 8.230 nan 0.000 0.431 638 E N -0.566 119.724 120.200 0.150 0.000 2.049 638 E HA -0.316 4.033 4.350 -0.002 0.000 0.198 638 E C 2.016 178.667 176.600 0.086 0.000 1.007 638 E CA 2.184 58.664 56.400 0.134 0.000 0.809 638 E CB -0.085 29.672 29.700 0.095 0.000 0.749 638 E HN 0.385 nan 8.360 nan 0.000 0.450 639 T N -1.152 113.417 114.554 0.024 0.000 3.055 639 T HA -0.113 4.236 4.350 -0.002 0.000 0.265 639 T C 1.430 176.175 174.700 0.076 0.000 1.111 639 T CA 0.727 62.766 62.100 -0.101 0.000 1.118 639 T CB -0.370 68.258 68.868 -0.399 0.000 0.909 639 T HN 0.263 nan 8.240 nan 0.000 0.501 640 F N 1.400 121.444 119.950 0.157 0.000 2.367 640 F HA 0.219 4.744 4.527 -0.003 0.000 0.298 640 F C 2.504 178.497 175.800 0.321 0.000 1.094 640 F CA 0.789 59.045 58.000 0.427 0.000 1.409 640 F CB -0.795 38.485 39.000 0.468 0.000 1.064 640 F HN 0.226 nan 8.300 nan 0.000 0.528 641 S N 1.080 116.849 115.700 0.114 0.000 2.378 641 S HA -0.197 4.272 4.470 -0.002 0.000 0.229 641 S C -0.332 174.167 174.600 -0.168 0.000 1.052 641 S CA 2.301 60.489 58.200 -0.020 0.000 1.084 641 S CB -1.425 61.803 63.200 0.047 0.000 0.950 641 S HN 0.294 nan 8.310 nan 0.000 0.440 642 P HA 0.020 nan 4.420 nan 0.000 0.225 642 P C 0.584 177.599 177.300 -0.475 0.000 1.156 642 P CA 0.988 63.871 63.100 -0.362 0.000 0.787 642 P CB -0.265 31.168 31.700 -0.445 0.000 0.802 643 Y N -0.428 119.696 120.300 -0.293 0.000 2.220 643 Y HA -0.068 4.481 4.550 -0.003 0.000 0.291 643 Y C 2.425 178.020 175.900 -0.508 0.000 1.129 643 Y CA 0.492 58.380 58.100 -0.353 0.000 1.161 643 Y CB -1.455 36.848 38.460 -0.262 0.000 0.997 643 Y HN -0.154 nan 8.280 nan 0.000 0.522 644 L N 0.083 121.026 121.223 -0.467 0.000 1.990 644 L HA -0.225 4.114 4.340 -0.002 0.000 0.213 644 L C 2.072 178.799 176.870 -0.239 0.000 1.072 644 L CA 1.740 56.404 54.840 -0.293 0.000 0.755 644 L CB -0.960 40.944 42.059 -0.258 0.000 0.889 644 L HN 0.231 nan 8.230 nan 0.000 0.432 645 L N -0.523 120.580 121.223 -0.200 0.000 2.046 645 L HA -0.254 4.085 4.340 -0.002 0.000 0.208 645 L C 2.661 179.420 176.870 -0.184 0.000 1.077 645 L CA 1.929 56.681 54.840 -0.146 0.000 0.747 645 L CB -0.538 41.452 42.059 -0.116 0.000 0.896 645 L HN 0.361 nan 8.230 nan 0.000 0.432 646 K N 0.216 120.473 120.400 -0.238 0.000 2.032 646 K HA -0.230 4.089 4.320 -0.002 0.000 0.209 646 K C 2.028 178.458 176.600 -0.282 0.000 1.048 646 K CA 1.693 57.840 56.287 -0.233 0.000 0.927 646 K CB -0.229 32.132 32.500 -0.231 0.000 0.712 646 K HN 0.259 nan 8.250 nan 0.000 0.441 647 A N 1.083 123.634 122.820 -0.449 0.000 1.877 647 A HA -0.088 4.231 4.320 -0.002 0.000 0.216 647 A C 2.192 179.589 177.584 -0.312 0.000 1.186 647 A CA 1.486 53.179 52.037 -0.573 0.000 0.620 647 A CB -0.711 17.511 19.000 -1.297 0.000 0.822 647 A HN 0.362 nan 8.150 nan 0.000 0.443 648 L N -0.536 120.560 121.223 -0.211 0.000 2.127 648 L HA -0.236 4.103 4.340 -0.002 0.000 0.211 648 L C 2.112 178.936 176.870 -0.078 0.000 1.089 648 L CA 1.710 56.497 54.840 -0.089 0.000 0.757 648 L CB -0.518 41.522 42.059 -0.032 0.000 0.899 648 L HN 0.505 nan 8.230 nan 0.000 0.434 649 N N -0.933 117.707 118.700 -0.100 0.000 2.446 649 N HA -0.089 4.650 4.740 -0.002 0.000 0.179 649 N C 0.515 175.980 175.510 -0.075 0.000 1.054 649 N CA -0.018 52.987 53.050 -0.075 0.000 0.905 649 N CB 0.168 38.610 38.487 -0.075 0.000 0.973 649 N HN 0.349 nan 8.380 nan 0.000 0.448 650 Q N 1.342 121.081 119.800 -0.102 0.000 3.141 650 Q HA 0.018 4.357 4.340 -0.002 0.000 0.304 650 Q C 1.195 177.162 176.000 -0.056 0.000 1.305 650 Q CA -0.214 55.539 55.803 -0.084 0.000 0.929 650 Q CB 0.106 28.776 28.738 -0.113 0.000 1.701 650 Q HN 0.325 nan 8.270 nan 0.000 0.483 651 V N -1.890 118.001 119.914 -0.039 0.000 3.186 651 V HA -0.196 3.923 4.120 -0.002 0.000 0.270 651 V C 1.346 177.433 176.094 -0.012 0.000 1.149 651 V CA 1.783 64.070 62.300 -0.021 0.000 1.160 651 V CB -0.356 31.460 31.823 -0.012 0.000 0.758 651 V HN 0.543 nan 8.190 nan 0.000 0.516 652 D N 0.432 120.822 120.400 -0.016 0.000 2.354 652 D HA 0.060 4.699 4.640 -0.002 0.000 0.209 652 D C 1.200 177.498 176.300 -0.003 0.000 1.015 652 D CA 0.787 54.781 54.000 -0.010 0.000 0.867 652 D CB 0.351 41.144 40.800 -0.012 0.000 0.933 652 D HN 0.557 nan 8.370 nan 0.000 0.520 653 S N 0.493 116.189 115.700 -0.007 0.000 2.608 653 S HA 0.412 4.881 4.470 -0.002 0.000 0.291 653 S C -1.957 172.665 174.600 0.036 0.000 1.146 653 S CA -1.426 56.779 58.200 0.009 0.000 1.043 653 S CB 1.867 65.060 63.200 -0.012 0.000 1.037 653 S HN -0.269 nan 8.310 nan 0.000 0.520 654 P HA -0.032 nan 4.420 nan 0.000 0.225 654 P C 1.391 178.795 177.300 0.175 0.000 1.148 654 P CA 0.335 63.503 63.100 0.113 0.000 0.779 654 P CB 0.013 31.787 31.700 0.123 0.000 0.780 655 V N 0.530 120.532 119.914 0.146 0.000 2.626 655 V HA -0.209 3.910 4.120 -0.002 0.000 0.252 655 V C 2.350 178.456 176.094 0.019 0.000 1.067 655 V CA 2.480 64.818 62.300 0.062 0.000 1.081 655 V CB -1.147 30.537 31.823 -0.231 0.000 0.686 655 V HN 0.274 nan 8.190 nan 0.000 0.468 656 S N -0.410 115.288 115.700 -0.004 0.000 2.428 656 S HA -0.097 4.372 4.470 -0.002 0.000 0.230 656 S C 1.847 176.487 174.600 0.067 0.000 1.014 656 S CA 1.536 59.733 58.200 -0.004 0.000 0.957 656 S CB -0.591 62.594 63.200 -0.025 0.000 0.784 656 S HN 0.605 nan 8.310 nan 0.000 0.499 657 I N 2.431 123.054 120.570 0.088 0.000 2.252 657 I HA -0.129 4.040 4.170 -0.002 0.000 0.245 657 I C 3.092 179.292 176.117 0.138 0.000 1.102 657 I CA 1.616 62.972 61.300 0.093 0.000 1.385 657 I CB -0.801 37.248 38.000 0.083 0.000 1.064 657 I HN 0.546 nan 8.210 nan 0.000 0.414 658 T N -0.487 114.195 114.554 0.215 0.000 3.023 658 T HA 0.052 4.401 4.350 -0.002 0.000 0.266 658 T C 1.936 176.832 174.700 0.326 0.000 1.093 658 T CA 0.857 63.116 62.100 0.264 0.000 1.129 658 T CB -0.092 68.990 68.868 0.357 0.000 0.899 658 T HN 0.304 nan 8.240 nan 0.000 0.491 659 A N 1.109 124.150 122.820 0.368 0.000 1.902 659 A HA 0.092 4.411 4.320 -0.002 0.000 0.217 659 A C 2.592 180.366 177.584 0.316 0.000 1.181 659 A CA 1.674 53.964 52.037 0.423 0.000 0.623 659 A CB -1.072 18.074 19.000 0.244 0.000 0.818 659 A HN 0.438 nan 8.150 nan 0.000 0.443 660 V N 0.069 120.096 119.914 0.188 0.000 2.287 660 V HA -0.209 3.910 4.120 -0.002 0.000 0.248 660 V C 2.834 178.996 176.094 0.114 0.000 1.053 660 V CA 1.999 64.371 62.300 0.120 0.000 1.027 660 V CB -1.552 30.295 31.823 0.040 0.000 0.646 660 V HN 0.612 nan 8.190 nan 0.000 0.447 661 G N -0.962 107.908 108.800 0.116 0.000 2.450 661 G HA2 -0.332 3.626 3.960 -0.002 0.000 0.220 661 G HA3 -0.332 3.626 3.960 -0.002 0.000 0.220 661 G C 1.567 176.515 174.900 0.081 0.000 1.130 661 G CA 1.061 46.205 45.100 0.072 0.000 0.760 661 G HN 0.545 nan 8.290 nan 0.000 0.557 662 F N 1.073 121.043 119.950 0.034 0.000 2.206 662 F HA 0.108 4.633 4.527 -0.004 0.000 0.298 662 F C 2.402 178.225 175.800 0.038 0.000 1.090 662 F CA 0.830 58.836 58.000 0.010 0.000 1.323 662 F CB -0.030 39.004 39.000 0.056 0.000 1.028 662 F HN 0.092 nan 8.300 nan 0.000 0.492 663 I N 0.584 121.299 120.570 0.241 0.000 2.163 663 I HA -0.336 3.832 4.170 -0.002 0.000 0.243 663 I C 2.766 178.805 176.117 -0.129 0.000 1.085 663 I CA 1.266 62.651 61.300 0.141 0.000 1.347 663 I CB -0.981 37.164 38.000 0.241 0.000 1.044 663 I HN 0.269 nan 8.210 nan 0.000 0.408 664 A N 0.519 123.269 122.820 -0.117 0.000 1.883 664 A HA -0.263 4.055 4.320 -0.002 0.000 0.217 664 A C 1.993 179.431 177.584 -0.243 0.000 1.186 664 A CA 2.221 54.151 52.037 -0.179 0.000 0.624 664 A CB -0.645 18.285 19.000 -0.118 0.000 0.822 664 A HN 0.357 nan 8.150 nan 0.000 0.444 665 D N 0.124 120.362 120.400 -0.269 0.000 2.097 665 D HA -0.148 4.491 4.640 -0.002 0.000 0.195 665 D C 1.904 177.995 176.300 -0.348 0.000 0.989 665 D CA 1.861 55.678 54.000 -0.305 0.000 0.827 665 D CB -0.446 40.145 40.800 -0.347 0.000 0.966 665 D HN 0.700 nan 8.370 nan 0.000 0.456 666 I N -0.347 119.937 120.570 -0.476 0.000 2.761 666 I HA -0.104 4.065 4.170 -0.002 0.000 0.261 666 I C 2.194 178.189 176.117 -0.204 0.000 1.198 666 I CA 0.896 62.009 61.300 -0.311 0.000 1.482 666 I CB -0.398 37.433 38.000 -0.282 0.000 1.100 666 I HN -0.151 nan 8.210 nan 0.000 0.445 667 S N 1.393 116.841 115.700 -0.421 0.000 2.383 667 S HA -0.093 4.375 4.470 -0.002 0.000 0.227 667 S C 1.806 176.238 174.600 -0.281 0.000 1.026 667 S CA 1.065 58.895 58.200 -0.617 0.000 0.981 667 S CB -0.748 61.864 63.200 -0.979 0.000 0.818 667 S HN 0.504 nan 8.310 nan 0.000 0.472 668 N N 1.762 120.326 118.700 -0.228 0.000 2.459 668 N HA 0.028 4.767 4.740 -0.002 0.000 0.181 668 N C 1.818 177.270 175.510 -0.096 0.000 1.046 668 N CA 1.294 54.258 53.050 -0.145 0.000 0.904 668 N CB -0.084 38.319 38.487 -0.140 0.000 0.964 668 N HN 0.789 nan 8.380 nan 0.000 0.444 669 S N -0.507 115.138 115.700 -0.091 0.000 2.545 669 S HA 0.192 4.661 4.470 -0.002 0.000 0.232 669 S C 1.729 176.336 174.600 0.011 0.000 1.070 669 S CA -0.211 57.963 58.200 -0.043 0.000 0.923 669 S CB -0.193 62.973 63.200 -0.056 0.000 0.806 669 S HN 0.089 nan 8.310 nan 0.000 0.506 670 L N 1.195 122.443 121.223 0.043 0.000 2.558 670 L HA 0.220 4.559 4.340 -0.002 0.000 0.225 670 L C 1.197 178.144 176.870 0.127 0.000 1.128 670 L CA 0.407 55.319 54.840 0.121 0.000 0.868 670 L CB -0.834 41.362 42.059 0.228 0.000 1.006 670 L HN 0.400 nan 8.230 nan 0.000 0.454 671 E N 0.235 120.480 120.200 0.075 0.000 3.317 671 E HA -0.419 3.929 4.350 -0.002 0.000 0.436 671 E C 1.214 177.897 176.600 0.137 0.000 1.571 671 E CA 2.204 58.647 56.400 0.070 0.000 1.219 671 E CB -0.805 28.925 29.700 0.050 0.000 1.424 671 E HN 0.478 nan 8.360 nan 0.000 0.457 672 E N 0.726 121.002 120.200 0.127 0.000 2.230 672 E HA -0.083 4.266 4.350 -0.002 0.000 0.192 672 E C 1.371 178.074 176.600 0.172 0.000 0.987 672 E CA 0.859 57.343 56.400 0.141 0.000 0.841 672 E CB 0.028 29.787 29.700 0.098 0.000 0.783 672 E HN 0.270 nan 8.360 nan 0.000 0.481 673 D N 0.376 120.884 120.400 0.179 0.000 2.310 673 D HA -0.141 4.497 4.640 -0.002 0.000 0.212 673 D C 1.276 177.731 176.300 0.259 0.000 0.965 673 D CA 0.453 54.562 54.000 0.181 0.000 0.879 673 D CB -0.195 40.713 40.800 0.179 0.000 0.921 673 D HN 0.131 nan 8.370 nan 0.000 0.510 674 F N 1.930 121.996 119.950 0.193 0.000 2.373 674 F HA -0.125 4.400 4.527 -0.002 0.000 0.300 674 F C 1.984 177.915 175.800 0.220 0.000 1.080 674 F CA 0.812 58.975 58.000 0.271 0.000 1.417 674 F CB 0.060 39.179 39.000 0.199 0.000 1.070 674 F HN -0.200 nan 8.300 nan 0.000 0.546 675 R N 0.174 120.762 120.500 0.147 0.000 2.159 675 R HA -0.301 4.038 4.340 -0.002 0.000 0.249 675 R C 2.266 178.494 176.300 -0.120 0.000 1.136 675 R CA 2.470 58.595 56.100 0.042 0.000 0.951 675 R CB -0.486 29.845 30.300 0.051 0.000 0.876 675 R HN 0.316 nan 8.270 nan 0.000 0.440 676 R N -0.976 119.372 120.500 -0.253 0.000 2.103 676 R HA -0.184 4.155 4.340 -0.002 0.000 0.242 676 R C 1.637 177.609 176.300 -0.548 0.000 1.142 676 R CA 1.858 57.666 56.100 -0.486 0.000 0.960 676 R CB -0.254 29.537 30.300 -0.847 0.000 0.858 676 R HN 0.397 nan 8.270 nan 0.000 0.439 677 Y N -0.471 119.663 120.300 -0.278 0.000 2.449 677 Y HA 0.107 4.656 4.550 -0.001 0.000 0.254 677 Y C 2.377 178.020 175.900 -0.429 0.000 1.140 677 Y CA 0.287 58.187 58.100 -0.333 0.000 1.272 677 Y CB 0.059 38.309 38.460 -0.351 0.000 1.114 677 Y HN 0.077 nan 8.280 nan 0.000 0.525 678 S N -0.037 115.456 115.700 -0.345 0.000 2.356 678 S HA -0.217 4.252 4.470 -0.002 0.000 0.223 678 S C 1.718 176.263 174.600 -0.092 0.000 1.032 678 S CA 1.613 59.690 58.200 -0.205 0.000 1.005 678 S CB -0.487 62.744 63.200 0.051 0.000 0.867 678 S HN 0.379 nan 8.310 nan 0.000 0.449 679 D N 2.195 122.620 120.400 0.042 0.000 2.106 679 D HA -0.124 4.515 4.640 -0.002 0.000 0.191 679 D C 2.353 178.673 176.300 0.034 0.000 0.997 679 D CA 1.775 55.844 54.000 0.116 0.000 0.834 679 D CB -0.588 40.289 40.800 0.128 0.000 0.956 679 D HN 0.590 nan 8.370 nan 0.000 0.448 680 A N 0.888 123.723 122.820 0.026 0.000 1.933 680 A HA -0.174 4.145 4.320 -0.002 0.000 0.218 680 A C 2.220 179.831 177.584 0.045 0.000 1.175 680 A CA 1.443 53.503 52.037 0.039 0.000 0.628 680 A CB -0.330 18.705 19.000 0.058 0.000 0.814 680 A HN 0.159 nan 8.150 nan 0.000 0.444 681 M N -1.416 118.212 119.600 0.048 0.000 2.123 681 M HA -0.018 4.461 4.480 -0.002 0.000 0.263 681 M C 2.186 178.532 176.300 0.076 0.000 1.069 681 M CA 1.148 56.511 55.300 0.104 0.000 1.133 681 M CB -0.991 31.730 32.600 0.201 0.000 1.356 681 M HN 0.314 nan 8.290 nan 0.000 0.415 682 M N 0.733 120.309 119.600 -0.040 0.000 2.159 682 M HA -0.170 4.309 4.480 -0.002 0.000 0.263 682 M C 1.851 178.134 176.300 -0.028 0.000 1.063 682 M CA 1.713 56.937 55.300 -0.127 0.000 1.110 682 M CB -1.880 30.282 32.600 -0.730 0.000 1.374 682 M HN 0.436 nan 8.290 nan 0.000 0.411 683 N N 0.740 119.437 118.700 -0.005 0.000 2.188 683 N HA -0.107 4.632 4.740 -0.002 0.000 0.184 683 N C 1.309 176.848 175.510 0.050 0.000 1.018 683 N CA 1.629 54.700 53.050 0.035 0.000 0.858 683 N CB -0.461 38.053 38.487 0.044 0.000 0.989 683 N HN 0.143 nan 8.380 nan 0.000 0.426 684 V N 0.771 120.716 119.914 0.052 0.000 2.358 684 V HA -0.135 3.984 4.120 -0.002 0.000 0.246 684 V C 2.498 178.637 176.094 0.076 0.000 1.047 684 V CA 1.339 63.671 62.300 0.053 0.000 1.035 684 V CB -0.807 31.043 31.823 0.045 0.000 0.658 684 V HN 0.325 nan 8.190 nan 0.000 0.452 685 L N 0.449 121.742 121.223 0.116 0.000 2.042 685 L HA -0.183 4.156 4.340 -0.002 0.000 0.210 685 L C 2.783 179.777 176.870 0.206 0.000 1.076 685 L CA 1.641 56.572 54.840 0.151 0.000 0.749 685 L CB -0.825 41.378 42.059 0.239 0.000 0.893 685 L HN 0.373 nan 8.230 nan 0.000 0.432 686 A N 0.263 123.214 122.820 0.219 0.000 1.978 686 A HA -0.258 4.061 4.320 -0.002 0.000 0.220 686 A C 2.253 179.905 177.584 0.114 0.000 1.170 686 A CA 1.936 54.081 52.037 0.180 0.000 0.636 686 A CB -0.494 18.561 19.000 0.092 0.000 0.810 686 A HN 0.685 nan 8.150 nan 0.000 0.448 687 Q N -1.485 118.364 119.800 0.082 0.000 2.250 687 Q HA 0.070 4.409 4.340 -0.002 0.000 0.200 687 Q C 1.971 178.000 176.000 0.048 0.000 0.941 687 Q CA 0.988 56.824 55.803 0.055 0.000 0.872 687 Q CB -0.368 28.392 28.738 0.037 0.000 0.965 687 Q HN 0.605 nan 8.270 nan 0.000 0.480 688 M N 0.811 120.441 119.600 0.049 0.000 2.108 688 M HA -0.117 4.362 4.480 -0.002 0.000 0.261 688 M C 2.285 178.607 176.300 0.037 0.000 1.066 688 M CA 1.557 56.876 55.300 0.033 0.000 1.107 688 M CB -0.247 32.367 32.600 0.023 0.000 1.356 688 M HN 0.292 nan 8.290 nan 0.000 0.406 689 I N -0.867 119.737 120.570 0.056 0.000 2.439 689 I HA -0.163 4.005 4.170 -0.002 0.000 0.251 689 I C 1.210 177.364 176.117 0.061 0.000 1.139 689 I CA 1.079 62.414 61.300 0.059 0.000 1.438 689 I CB 0.229 38.284 38.000 0.092 0.000 1.085 689 I HN 0.073 nan 8.210 nan 0.000 0.427 690 S N 0.842 116.579 115.700 0.062 0.000 2.618 690 S HA 0.123 4.591 4.470 -0.002 0.000 0.242 690 S C 0.214 174.836 174.600 0.036 0.000 0.972 690 S CA -0.324 57.906 58.200 0.050 0.000 1.004 690 S CB -0.889 62.342 63.200 0.051 0.000 0.778 690 S HN 0.409 nan 8.310 nan 0.000 0.459 691 N N 1.873 120.592 118.700 0.032 0.000 2.439 691 N HA 0.239 4.978 4.740 -0.002 0.000 0.249 691 N C -2.017 173.504 175.510 0.017 0.000 1.003 691 N CA -2.032 51.030 53.050 0.021 0.000 0.942 691 N CB 1.086 39.583 38.487 0.015 0.000 1.115 691 N HN -0.101 nan 8.380 nan 0.000 0.505 692 P HA -0.125 nan 4.420 nan 0.000 0.218 692 P C 0.220 177.521 177.300 0.003 0.000 1.146 692 P CA 1.063 64.169 63.100 0.009 0.000 0.813 692 P CB 0.260 31.964 31.700 0.007 0.000 0.778 693 N N -0.802 117.899 118.700 0.001 0.000 2.422 693 N HA 0.065 4.803 4.740 -0.002 0.000 0.181 693 N C 0.719 176.227 175.510 -0.004 0.000 1.080 693 N CA 0.180 53.228 53.050 -0.004 0.000 0.893 693 N CB -0.310 38.173 38.487 -0.006 0.000 0.973 693 N HN 0.069 nan 8.380 nan 0.000 0.456 694 A N 2.214 125.035 122.820 0.002 0.000 2.498 694 A HA 0.146 4.464 4.320 -0.002 0.000 0.239 694 A C 0.797 178.384 177.584 0.004 0.000 1.068 694 A CA -0.389 51.651 52.037 0.005 0.000 0.766 694 A CB 0.172 19.180 19.000 0.013 0.000 1.003 694 A HN 0.330 nan 8.150 nan 0.000 0.497 695 R N 2.004 122.506 120.500 0.004 0.000 2.707 695 R HA 0.275 4.614 4.340 -0.002 0.000 0.270 695 R C 0.446 176.752 176.300 0.010 0.000 1.083 695 R CA -0.405 55.693 56.100 -0.004 0.000 1.182 695 R CB 0.565 30.864 30.300 -0.002 0.000 1.084 695 R HN 0.756 nan 8.270 nan 0.000 0.528 696 R N 0.845 121.330 120.500 -0.024 0.000 2.127 696 R HA -0.175 4.163 4.340 -0.002 0.000 0.238 696 R C 1.553 177.956 176.300 0.173 0.000 1.134 696 R CA 2.134 58.214 56.100 -0.034 0.000 0.975 696 R CB -0.232 29.899 30.300 -0.281 0.000 0.865 696 R HN 0.707 nan 8.270 nan 0.000 0.447 697 E N 0.260 120.530 120.200 0.118 0.000 2.347 697 E HA -0.087 4.261 4.350 -0.002 0.000 0.196 697 E C 1.535 178.184 176.600 0.081 0.000 1.008 697 E CA 0.453 56.929 56.400 0.126 0.000 0.852 697 E CB 0.067 29.812 29.700 0.075 0.000 0.783 697 E HN 0.107 nan 8.360 nan 0.000 0.505 698 L N 0.798 122.059 121.223 0.064 0.000 2.109 698 L HA -0.077 4.262 4.340 -0.002 0.000 0.207 698 L C 2.116 178.987 176.870 0.000 0.000 1.086 698 L CA 1.541 56.395 54.840 0.023 0.000 0.760 698 L CB -0.807 41.263 42.059 0.018 0.000 0.910 698 L HN 0.116 nan 8.230 nan 0.000 0.437 699 K N 0.163 120.590 120.400 0.044 0.000 1.978 699 K HA -0.157 4.161 4.320 -0.002 0.000 0.214 699 K C -0.386 176.175 176.600 -0.066 0.000 1.049 699 K CA 1.850 58.145 56.287 0.013 0.000 0.939 699 K CB -0.769 31.782 32.500 0.084 0.000 0.721 699 K HN 0.192 nan 8.250 nan 0.000 0.441 700 P HA -0.144 nan 4.420 nan 0.000 0.216 700 P C 1.057 178.284 177.300 -0.122 0.000 1.153 700 P CA 1.833 64.856 63.100 -0.128 0.000 0.848 700 P CB -0.095 31.516 31.700 -0.149 0.000 0.787 701 A N 0.028 122.796 122.820 -0.087 0.000 1.917 701 A HA -0.155 4.163 4.320 -0.002 0.000 0.219 701 A C 2.482 179.960 177.584 -0.178 0.000 1.182 701 A CA 2.256 54.235 52.037 -0.096 0.000 0.633 701 A CB -1.698 17.274 19.000 -0.047 0.000 0.819 701 A HN 0.095 nan 8.150 nan 0.000 0.448 702 V N -0.238 119.536 119.914 -0.232 0.000 2.379 702 V HA -0.189 3.930 4.120 -0.002 0.000 0.245 702 V C 2.528 178.173 176.094 -0.749 0.000 1.044 702 V CA 1.617 63.647 62.300 -0.451 0.000 1.036 702 V CB -0.744 30.840 31.823 -0.398 0.000 0.664 702 V HN 0.549 nan 8.190 nan 0.000 0.453 703 L N -0.009 120.938 121.223 -0.459 0.000 2.013 703 L HA -0.211 4.127 4.340 -0.002 0.000 0.212 703 L C 2.663 179.389 176.870 -0.239 0.000 1.073 703 L CA 1.944 56.599 54.840 -0.308 0.000 0.753 703 L CB -0.610 41.360 42.059 -0.149 0.000 0.890 703 L HN 0.310 nan 8.230 nan 0.000 0.432 704 S N -0.958 114.616 115.700 -0.210 0.000 2.382 704 S HA -0.171 4.298 4.470 -0.002 0.000 0.228 704 S C 1.900 176.415 174.600 -0.141 0.000 1.027 704 S CA 1.158 59.269 58.200 -0.149 0.000 0.991 704 S CB -0.238 62.889 63.200 -0.122 0.000 0.823 704 S HN 0.240 nan 8.310 nan 0.000 0.469 705 V N 1.375 121.164 119.914 -0.207 0.000 2.759 705 V HA -0.106 4.013 4.120 -0.002 0.000 0.256 705 V C 1.665 177.745 176.094 -0.025 0.000 1.080 705 V CA 1.344 63.555 62.300 -0.149 0.000 1.101 705 V CB -0.732 30.996 31.823 -0.159 0.000 0.698 705 V HN 0.384 nan 8.190 nan 0.000 0.477 706 F N 1.246 121.194 119.950 -0.003 0.000 2.171 706 F HA -0.020 4.508 4.527 0.001 0.000 0.300 706 F C 2.406 178.141 175.800 -0.108 0.000 1.090 706 F CA 1.077 59.103 58.000 0.044 0.000 1.293 706 F CB -1.636 37.424 39.000 0.100 0.000 1.013 706 F HN 0.250 nan 8.300 nan 0.000 0.486 707 G N -0.168 108.655 108.800 0.039 0.000 2.446 707 G HA2 -0.229 3.729 3.960 -0.002 0.000 0.217 707 G HA3 -0.229 3.729 3.960 -0.002 0.000 0.217 707 G C 1.527 176.360 174.900 -0.112 0.000 1.168 707 G CA 1.060 46.114 45.100 -0.077 0.000 0.771 707 G HN 0.268 nan 8.290 nan 0.000 0.551 708 D N 0.535 120.878 120.400 -0.095 0.000 2.104 708 D HA -0.099 4.540 4.640 -0.002 0.000 0.194 708 D C 2.572 178.788 176.300 -0.140 0.000 0.994 708 D CA 0.833 54.758 54.000 -0.126 0.000 0.830 708 D CB -0.022 40.688 40.800 -0.149 0.000 0.959 708 D HN 0.355 nan 8.370 nan 0.000 0.452 709 I N 1.405 121.926 120.570 -0.082 0.000 2.163 709 I HA -0.229 3.940 4.170 -0.002 0.000 0.240 709 I C 2.692 178.802 176.117 -0.012 0.000 1.081 709 I CA 0.879 62.187 61.300 0.015 0.000 1.353 709 I CB -0.260 37.918 38.000 0.298 0.000 1.054 709 I HN -0.096 nan 8.210 nan 0.000 0.407 710 A N 0.559 123.159 122.820 -0.367 0.000 1.908 710 A HA -0.264 4.055 4.320 -0.002 0.000 0.218 710 A C 2.483 179.910 177.584 -0.262 0.000 1.181 710 A CA 2.415 53.995 52.037 -0.761 0.000 0.627 710 A CB -0.848 17.352 19.000 -1.333 0.000 0.818 710 A HN 0.530 nan 8.150 nan 0.000 0.445 711 S N -0.378 115.216 115.700 -0.177 0.000 2.436 711 S HA -0.099 4.370 4.470 -0.002 0.000 0.228 711 S C 1.458 176.034 174.600 -0.040 0.000 1.014 711 S CA 1.343 59.488 58.200 -0.091 0.000 0.950 711 S CB -0.615 62.532 63.200 -0.088 0.000 0.784 711 S HN 0.641 nan 8.310 nan 0.000 0.504 712 N N 0.116 118.798 118.700 -0.030 0.000 2.415 712 N HA 0.291 5.030 4.740 -0.002 0.000 0.176 712 N C 0.912 176.480 175.510 0.096 0.000 1.042 712 N CA 0.615 53.674 53.050 0.014 0.000 0.902 712 N CB 0.055 38.523 38.487 -0.031 0.000 0.986 712 N HN 0.289 nan 8.380 nan 0.000 0.447 713 I N -0.509 120.146 120.570 0.142 0.000 4.057 713 I HA 0.279 4.448 4.170 -0.002 0.000 0.334 713 I C 1.420 177.661 176.117 0.207 0.000 1.308 713 I CA 0.080 61.520 61.300 0.233 0.000 1.125 713 I CB -0.371 37.862 38.000 0.389 0.000 1.034 713 I HN 0.140 nan 8.210 nan 0.000 0.401 714 G N 1.354 110.243 108.800 0.149 0.000 2.651 714 G HA2 -0.413 3.546 3.960 -0.002 0.000 0.315 714 G HA3 -0.413 3.546 3.960 -0.002 0.000 0.315 714 G C 1.329 176.339 174.900 0.183 0.000 1.258 714 G CA 0.860 46.041 45.100 0.136 0.000 1.002 714 G HN 0.557 nan 8.290 nan 0.000 0.551 715 A N -0.745 122.164 122.820 0.148 0.000 2.070 715 A HA 0.087 4.406 4.320 -0.002 0.000 0.220 715 A C 1.888 179.562 177.584 0.150 0.000 1.159 715 A CA 2.206 54.326 52.037 0.138 0.000 0.656 715 A CB -0.385 18.671 19.000 0.092 0.000 0.800 715 A HN 0.633 nan 8.150 nan 0.000 0.453 716 D N -1.541 118.964 120.400 0.175 0.000 2.371 716 D HA -0.060 4.578 4.640 -0.002 0.000 0.221 716 D C 1.042 177.497 176.300 0.258 0.000 0.986 716 D CA 0.571 54.674 54.000 0.172 0.000 0.899 716 D CB -0.087 40.821 40.800 0.181 0.000 0.902 716 D HN 0.549 nan 8.370 nan 0.000 0.530 717 F N 1.002 121.053 119.950 0.167 0.000 2.615 717 F HA 0.092 4.617 4.527 -0.003 0.000 0.297 717 F C 1.997 177.863 175.800 0.111 0.000 1.124 717 F CA 0.142 58.291 58.000 0.249 0.000 1.451 717 F CB 0.021 39.146 39.000 0.208 0.000 1.103 717 F HN -0.166 nan 8.300 nan 0.000 0.569 718 I N 1.193 121.822 120.570 0.098 0.000 2.208 718 I HA -0.255 3.914 4.170 -0.002 0.000 0.245 718 I C -0.541 175.475 176.117 -0.170 0.000 1.097 718 I CA 1.246 62.559 61.300 0.023 0.000 1.363 718 I CB -1.727 36.306 38.000 0.055 0.000 1.051 718 I HN 0.071 nan 8.210 nan 0.000 0.413 719 P HA -0.179 nan 4.420 nan 0.000 0.219 719 P C 1.018 177.982 177.300 -0.561 0.000 1.146 719 P CA 1.626 64.433 63.100 -0.487 0.000 0.808 719 P CB -0.145 31.153 31.700 -0.670 0.000 0.779 720 Y N -2.269 117.809 120.300 -0.370 0.000 2.500 720 Y HA 0.090 4.640 4.550 -0.001 0.000 0.270 720 Y C 2.085 177.696 175.900 -0.481 0.000 1.134 720 Y CA -0.542 57.254 58.100 -0.508 0.000 1.293 720 Y CB -0.710 37.254 38.460 -0.827 0.000 1.063 720 Y HN -0.148 nan 8.280 nan 0.000 0.534 721 L N 1.298 122.370 121.223 -0.252 0.000 2.013 721 L HA -0.288 4.050 4.340 -0.002 0.000 0.212 721 L C 2.133 178.927 176.870 -0.126 0.000 1.073 721 L CA 1.820 56.611 54.840 -0.081 0.000 0.753 721 L CB -0.948 41.161 42.059 0.083 0.000 0.890 721 L HN 0.367 nan 8.230 nan 0.000 0.432 722 N N -1.071 117.603 118.700 -0.043 0.000 2.188 722 N HA -0.184 4.555 4.740 -0.002 0.000 0.184 722 N C 1.289 176.782 175.510 -0.029 0.000 1.018 722 N CA 1.414 54.480 53.050 0.026 0.000 0.858 722 N CB 0.053 38.597 38.487 0.096 0.000 0.989 722 N HN 0.398 nan 8.380 nan 0.000 0.426 723 D N 0.884 121.248 120.400 -0.060 0.000 2.117 723 D HA -0.075 4.564 4.640 -0.002 0.000 0.198 723 D C 2.016 178.253 176.300 -0.106 0.000 0.982 723 D CA 0.510 54.473 54.000 -0.062 0.000 0.828 723 D CB -0.124 40.638 40.800 -0.063 0.000 0.967 723 D HN 0.285 nan 8.370 nan 0.000 0.464 724 I N 0.702 121.157 120.570 -0.192 0.000 2.252 724 I HA -0.144 4.025 4.170 -0.002 0.000 0.245 724 I C 2.199 178.255 176.117 -0.102 0.000 1.102 724 I CA 0.767 61.916 61.300 -0.252 0.000 1.385 724 I CB -0.770 37.033 38.000 -0.329 0.000 1.064 724 I HN 0.052 nan 8.210 nan 0.000 0.414 725 M N 0.556 120.075 119.600 -0.135 0.000 2.159 725 M HA -0.132 4.347 4.480 -0.002 0.000 0.263 725 M C 2.433 178.725 176.300 -0.013 0.000 1.063 725 M CA 1.691 56.911 55.300 -0.133 0.000 1.110 725 M CB -1.369 30.904 32.600 -0.544 0.000 1.374 725 M HN 0.252 nan 8.290 nan 0.000 0.411 726 A N -0.007 122.810 122.820 -0.006 0.000 1.930 726 A HA -0.087 4.232 4.320 -0.002 0.000 0.217 726 A C 2.279 179.891 177.584 0.046 0.000 1.175 726 A CA 1.070 53.131 52.037 0.040 0.000 0.627 726 A CB -0.776 18.248 19.000 0.039 0.000 0.815 726 A HN 0.473 nan 8.150 nan 0.000 0.443 727 L N -0.859 120.387 121.223 0.039 0.000 2.093 727 L HA -0.231 4.108 4.340 -0.002 0.000 0.208 727 L C 2.671 179.579 176.870 0.063 0.000 1.085 727 L CA 1.183 56.065 54.840 0.070 0.000 0.755 727 L CB -0.744 41.389 42.059 0.124 0.000 0.904 727 L HN 0.468 nan 8.230 nan 0.000 0.435 728 C N -1.089 118.239 119.300 0.046 0.000 2.453 728 C HA -0.105 4.354 4.460 -0.002 0.000 0.277 728 C C 2.832 177.852 174.990 0.050 0.000 1.262 728 C CA 0.323 59.335 59.018 -0.010 0.000 1.718 728 C CB -0.491 27.220 27.740 -0.048 0.000 2.031 728 C HN 0.331 nan 8.230 nan 0.000 0.480 729 V N 1.582 121.561 119.914 0.109 0.000 2.287 729 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 729 V C 2.742 178.890 176.094 0.091 0.000 1.053 729 V CA 2.349 64.723 62.300 0.124 0.000 1.027 729 V CB -1.325 30.568 31.823 0.118 0.000 0.646 729 V HN 0.605 nan 8.190 nan 0.000 0.447 730 A N -0.091 122.771 122.820 0.072 0.000 1.902 730 A HA -0.122 4.197 4.320 -0.002 0.000 0.217 730 A C 2.410 180.028 177.584 0.056 0.000 1.181 730 A CA 2.170 54.244 52.037 0.061 0.000 0.623 730 A CB -0.809 18.224 19.000 0.056 0.000 0.818 730 A HN 0.586 nan 8.150 nan 0.000 0.443 731 A N 0.035 122.883 122.820 0.047 0.000 1.930 731 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 731 A C 2.210 179.818 177.584 0.041 0.000 1.175 731 A CA 1.712 53.768 52.037 0.031 0.000 0.627 731 A CB -0.606 18.394 19.000 -0.000 0.000 0.815 731 A HN 0.785 nan 8.150 nan 0.000 0.443 732 Q N -0.880 118.962 119.800 0.069 0.000 2.297 732 Q HA -0.081 4.258 4.340 -0.002 0.000 0.204 732 Q C 0.614 176.676 176.000 0.103 0.000 0.962 732 Q CA 1.368 57.252 55.803 0.136 0.000 0.879 732 Q CB -0.233 28.661 28.738 0.260 0.000 0.947 732 Q HN 0.523 nan 8.270 nan 0.000 0.462 733 N N 0.702 119.449 118.700 0.078 0.000 2.280 733 N HA 0.052 4.791 4.740 -0.002 0.000 0.192 733 N C -0.445 175.092 175.510 0.044 0.000 1.109 733 N CA 0.362 53.446 53.050 0.056 0.000 0.855 733 N CB 0.639 39.159 38.487 0.056 0.000 0.974 733 N HN 0.144 nan 8.380 nan 0.000 0.482 734 T N 1.910 116.492 114.554 0.047 0.000 2.870 734 T HA 0.149 4.498 4.350 -0.002 0.000 0.300 734 T C 0.717 175.441 174.700 0.041 0.000 0.989 734 T CA -0.010 62.118 62.100 0.046 0.000 1.139 734 T CB 1.394 70.295 68.868 0.056 0.000 0.920 734 T HN -0.139 nan 8.240 nan 0.000 0.537 735 K N 2.730 123.153 120.400 0.038 0.000 2.132 735 K HA 0.441 4.760 4.320 -0.002 0.000 0.241 735 K C -2.438 174.190 176.600 0.047 0.000 1.000 735 K CA -2.422 53.884 56.287 0.032 0.000 0.911 735 K CB 0.213 32.727 32.500 0.022 0.000 1.093 735 K HN 0.287 nan 8.250 nan 0.000 0.460 736 P HA 0.067 nan 4.420 nan 0.000 0.266 736 P C 0.199 177.528 177.300 0.048 0.000 1.195 736 P CA 0.205 63.340 63.100 0.059 0.000 0.768 736 P CB 0.455 32.181 31.700 0.043 0.000 0.838 737 E N 1.297 121.529 120.200 0.052 0.000 2.160 737 E HA -0.173 4.176 4.350 -0.002 0.000 0.195 737 E C 1.048 177.657 176.600 0.014 0.000 0.991 737 E CA 1.129 57.545 56.400 0.027 0.000 0.810 737 E CB 0.040 29.744 29.700 0.007 0.000 0.742 737 E HN 0.635 nan 8.360 nan 0.000 0.466 738 N N -3.094 115.615 118.700 0.015 0.000 3.356 738 N HA 0.146 4.885 4.740 -0.002 0.000 0.263 738 N C 0.896 176.412 175.510 0.011 0.000 1.466 738 N CA -0.065 52.990 53.050 0.009 0.000 0.870 738 N CB 0.642 39.130 38.487 0.001 0.000 3.225 738 N HN -0.019 nan 8.380 nan 0.000 0.388 739 G N 0.220 109.025 108.800 0.007 0.000 3.146 739 G HA2 0.183 4.141 3.960 -0.002 0.000 0.238 739 G HA3 0.183 4.141 3.960 -0.002 0.000 0.238 739 G C 0.241 175.145 174.900 0.007 0.000 1.022 739 G CA 0.260 45.365 45.100 0.007 0.000 0.880 739 G HN 0.664 nan 8.290 nan 0.000 0.533 740 T N -0.042 114.516 114.554 0.007 0.000 2.795 740 T HA 0.245 4.594 4.350 -0.002 0.000 0.314 740 T C 1.684 176.390 174.700 0.011 0.000 1.069 740 T CA -0.438 61.666 62.100 0.006 0.000 1.071 740 T CB 1.545 70.415 68.868 0.003 0.000 0.988 740 T HN -0.081 nan 8.240 nan 0.000 0.543 741 L N 0.592 121.820 121.223 0.009 0.000 1.990 741 L HA -0.168 4.171 4.340 -0.002 0.000 0.213 741 L C 3.030 179.913 176.870 0.022 0.000 1.072 741 L CA 1.631 56.479 54.840 0.012 0.000 0.755 741 L CB -0.525 41.539 42.059 0.008 0.000 0.889 741 L HN 0.724 nan 8.230 nan 0.000 0.432 742 E N -0.059 120.153 120.200 0.020 0.000 2.065 742 E HA -0.298 4.051 4.350 -0.002 0.000 0.201 742 E C 2.171 178.803 176.600 0.053 0.000 1.016 742 E CA 1.680 58.097 56.400 0.027 0.000 0.818 742 E CB -0.487 29.216 29.700 0.005 0.000 0.749 742 E HN 0.577 nan 8.360 nan 0.000 0.453 743 A N 0.941 123.785 122.820 0.041 0.000 1.969 743 A HA -0.091 4.228 4.320 -0.002 0.000 0.218 743 A C 2.227 179.872 177.584 0.102 0.000 1.169 743 A CA 1.053 53.129 52.037 0.065 0.000 0.635 743 A CB -0.403 18.617 19.000 0.034 0.000 0.810 743 A HN 0.212 nan 8.150 nan 0.000 0.445 744 L N -0.188 121.073 121.223 0.064 0.000 2.068 744 L HA -0.050 4.289 4.340 -0.002 0.000 0.204 744 L C 1.566 178.465 176.870 0.049 0.000 1.076 744 L CA 2.253 57.121 54.840 0.046 0.000 0.753 744 L CB -0.557 41.514 42.059 0.020 0.000 0.910 744 L HN 0.256 nan 8.230 nan 0.000 0.439 745 D N -1.232 119.201 120.400 0.054 0.000 2.158 745 D HA -0.280 4.358 4.640 -0.002 0.000 0.197 745 D C 1.946 178.286 176.300 0.067 0.000 0.995 745 D CA 1.706 55.735 54.000 0.048 0.000 0.846 745 D CB -0.256 40.573 40.800 0.049 0.000 0.941 745 D HN 0.524 nan 8.370 nan 0.000 0.456 746 Y N 1.031 121.327 120.300 -0.006 0.000 2.263 746 Y HA -0.102 4.446 4.550 -0.003 0.000 0.292 746 Y C 2.321 178.220 175.900 -0.001 0.000 1.130 746 Y CA 1.376 59.473 58.100 -0.004 0.000 1.179 746 Y CB -0.074 38.384 38.460 -0.004 0.000 0.998 746 Y HN -0.089 nan 8.280 nan 0.000 0.532 747 Q N 0.210 120.009 119.800 -0.000 0.000 2.124 747 Q HA -0.194 4.145 4.340 -0.002 0.000 0.202 747 Q C 2.152 178.086 176.000 -0.111 0.000 0.977 747 Q CA 2.048 57.809 55.803 -0.070 0.000 0.850 747 Q CB -0.236 28.512 28.738 0.017 0.000 0.901 747 Q HN 0.661 nan 8.270 nan 0.000 0.429 748 I N 0.587 121.113 120.570 -0.073 0.000 2.315 748 I HA -0.239 3.929 4.170 -0.002 0.000 0.248 748 I C 2.538 178.604 176.117 -0.085 0.000 1.117 748 I CA 0.939 62.203 61.300 -0.061 0.000 1.404 748 I CB -0.109 37.868 38.000 -0.039 0.000 1.071 748 I HN 0.132 nan 8.210 nan 0.000 0.419 749 K N 0.359 120.676 120.400 -0.137 0.000 2.097 749 K HA -0.142 4.177 4.320 -0.002 0.000 0.206 749 K C 2.058 178.530 176.600 -0.213 0.000 1.049 749 K CA 1.223 57.414 56.287 -0.160 0.000 0.933 749 K CB 0.108 32.507 32.500 -0.169 0.000 0.717 749 K HN 0.132 nan 8.250 nan 0.000 0.442 750 V N 1.549 121.272 119.914 -0.318 0.000 2.358 750 V HA -0.231 3.888 4.120 -0.002 0.000 0.246 750 V C 2.230 178.251 176.094 -0.122 0.000 1.047 750 V CA 1.423 63.565 62.300 -0.262 0.000 1.035 750 V CB -0.264 31.376 31.823 -0.304 0.000 0.658 750 V HN 0.308 nan 8.190 nan 0.000 0.452 751 L N -0.448 120.746 121.223 -0.049 0.000 2.056 751 L HA -0.177 4.162 4.340 -0.002 0.000 0.207 751 L C 2.530 179.479 176.870 0.133 0.000 1.078 751 L CA 1.578 56.483 54.840 0.107 0.000 0.749 751 L CB -0.562 41.565 42.059 0.114 0.000 0.901 751 L HN 0.363 nan 8.230 nan 0.000 0.433 752 E N -0.015 120.209 120.200 0.040 0.000 2.204 752 E HA -0.212 4.137 4.350 -0.002 0.000 0.195 752 E C 2.200 178.777 176.600 -0.038 0.000 0.990 752 E CA 1.080 57.498 56.400 0.030 0.000 0.821 752 E CB -0.076 29.622 29.700 -0.003 0.000 0.750 752 E HN 0.506 nan 8.360 nan 0.000 0.477 753 A N 0.424 123.188 122.820 -0.093 0.000 1.930 753 A HA -0.065 4.253 4.320 -0.002 0.000 0.215 753 A C 2.390 179.839 177.584 -0.224 0.000 1.176 753 A CA 0.603 52.555 52.037 -0.141 0.000 0.632 753 A CB -0.233 18.678 19.000 -0.148 0.000 0.819 753 A HN 0.102 nan 8.150 nan 0.000 0.445 754 V N -0.027 119.709 119.914 -0.297 0.000 2.343 754 V HA -0.230 3.889 4.120 -0.002 0.000 0.247 754 V C 2.456 178.033 176.094 -0.863 0.000 1.051 754 V CA 1.830 63.758 62.300 -0.621 0.000 1.036 754 V CB -0.887 30.518 31.823 -0.696 0.000 0.654 754 V HN 0.561 nan 8.190 nan 0.000 0.451 755 L N 0.746 121.619 121.223 -0.584 0.000 2.013 755 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 755 L C 2.137 178.902 176.870 -0.175 0.000 1.073 755 L CA 2.229 56.899 54.840 -0.283 0.000 0.753 755 L CB -1.017 41.115 42.059 0.122 0.000 0.890 755 L HN 0.319 nan 8.230 nan 0.000 0.432 756 D N -0.366 119.945 120.400 -0.148 0.000 2.123 756 D HA -0.188 4.451 4.640 -0.002 0.000 0.196 756 D C 2.181 178.410 176.300 -0.119 0.000 0.992 756 D CA 1.571 55.508 54.000 -0.105 0.000 0.833 756 D CB -0.259 40.482 40.800 -0.098 0.000 0.954 756 D HN 0.527 nan 8.370 nan 0.000 0.455 757 A N 0.300 123.005 122.820 -0.191 0.000 1.877 757 A HA -0.207 4.112 4.320 -0.002 0.000 0.216 757 A C 2.021 179.579 177.584 -0.043 0.000 1.186 757 A CA 1.132 53.089 52.037 -0.133 0.000 0.620 757 A CB -0.983 17.908 19.000 -0.181 0.000 0.822 757 A HN 0.193 nan 8.150 nan 0.000 0.443 758 Y N -0.288 119.921 120.300 -0.152 0.000 2.242 758 Y HA -0.083 4.468 4.550 0.000 0.000 0.291 758 Y C 2.643 178.497 175.900 -0.077 0.000 1.137 758 Y CA 0.397 58.420 58.100 -0.129 0.000 1.181 758 Y CB -1.120 37.226 38.460 -0.190 0.000 0.989 758 Y HN 0.090 nan 8.280 nan 0.000 0.527 759 V N -0.476 119.483 119.914 0.076 0.000 2.343 759 V HA -0.232 3.886 4.120 -0.002 0.000 0.247 759 V C 2.481 178.576 176.094 0.003 0.000 1.051 759 V CA 2.017 64.341 62.300 0.041 0.000 1.036 759 V CB -1.257 30.577 31.823 0.019 0.000 0.654 759 V HN 0.509 nan 8.190 nan 0.000 0.451 760 G N -0.626 108.153 108.800 -0.034 0.000 2.403 760 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.216 760 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.216 760 G C 1.570 176.399 174.900 -0.119 0.000 1.154 760 G CA 0.662 45.710 45.100 -0.086 0.000 0.784 760 G HN 0.458 nan 8.290 nan 0.000 0.538 761 I N 0.413 120.921 120.570 -0.104 0.000 2.142 761 I HA -0.159 4.010 4.170 -0.002 0.000 0.240 761 I C 2.795 178.916 176.117 0.006 0.000 1.078 761 I CA 0.571 61.810 61.300 -0.103 0.000 1.343 761 I CB -0.357 37.641 38.000 -0.004 0.000 1.046 761 I HN -0.002 nan 8.210 nan 0.000 0.405 762 V N 1.182 121.127 119.914 0.052 0.000 2.324 762 V HA -0.368 3.750 4.120 -0.002 0.000 0.250 762 V C 2.640 178.787 176.094 0.088 0.000 1.060 762 V CA 2.239 64.594 62.300 0.092 0.000 1.042 762 V CB -1.043 30.842 31.823 0.103 0.000 0.650 762 V HN 0.544 nan 8.190 nan 0.000 0.450 763 A N 0.040 122.883 122.820 0.039 0.000 1.929 763 A HA 0.020 4.338 4.320 -0.002 0.000 0.216 763 A C 2.405 180.011 177.584 0.038 0.000 1.176 763 A CA 1.602 53.648 52.037 0.016 0.000 0.628 763 A CB -1.031 17.951 19.000 -0.031 0.000 0.816 763 A HN 0.527 nan 8.150 nan 0.000 0.444 764 G N -0.116 108.691 108.800 0.012 0.000 2.422 764 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.218 764 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.218 764 G C 1.090 176.042 174.900 0.087 0.000 1.146 764 G CA 0.854 45.969 45.100 0.025 0.000 0.769 764 G HN 0.446 nan 8.290 nan 0.000 0.547 765 L N 0.631 121.916 121.223 0.104 0.000 2.851 765 L HA 0.272 4.610 4.340 -0.002 0.000 0.237 765 L C 1.729 178.669 176.870 0.118 0.000 1.257 765 L CA -0.342 54.572 54.840 0.123 0.000 1.061 765 L CB -0.354 41.792 42.059 0.146 0.000 1.372 765 L HN 0.307 nan 8.230 nan 0.000 0.493 766 H N 1.351 120.437 119.070 0.026 0.000 2.319 766 H HA -0.160 4.395 4.556 -0.002 0.000 0.299 766 H C 0.462 175.782 175.328 -0.013 0.000 1.092 766 H CA 1.701 57.753 56.048 0.007 0.000 1.302 766 H CB 0.589 30.358 29.762 0.012 0.000 1.373 766 H HN 0.426 nan 8.280 nan 0.000 0.497 767 D N 0.510 120.876 120.400 -0.056 0.000 2.460 767 D HA 0.092 4.731 4.640 -0.002 0.000 0.229 767 D C -0.026 176.245 176.300 -0.049 0.000 1.170 767 D CA 0.298 54.233 54.000 -0.109 0.000 0.827 767 D CB 0.307 41.090 40.800 -0.029 0.000 0.973 767 D HN 0.194 nan 8.370 nan 0.000 0.496 768 K N 0.758 121.142 120.400 -0.026 0.000 3.350 768 K HA 0.159 4.478 4.320 -0.002 0.000 0.167 768 K C -2.069 174.548 176.600 0.029 0.000 1.058 768 K CA -1.114 55.182 56.287 0.015 0.000 0.783 768 K CB 2.272 34.811 32.500 0.066 0.000 0.872 768 K HN -0.079 nan 8.250 nan 0.000 0.561 769 P HA -0.235 nan 4.420 nan 0.000 0.216 769 P C 1.263 178.697 177.300 0.224 0.000 1.150 769 P CA 1.387 64.427 63.100 -0.101 0.000 0.837 769 P CB 0.293 31.679 31.700 -0.523 0.000 0.786 770 E N 1.101 121.404 120.200 0.172 0.000 2.130 770 E HA -0.218 4.131 4.350 -0.002 0.000 0.196 770 E C 1.926 178.684 176.600 0.263 0.000 0.998 770 E CA 1.965 58.498 56.400 0.223 0.000 0.806 770 E CB -1.462 28.302 29.700 0.107 0.000 0.738 770 E HN 0.221 nan 8.360 nan 0.000 0.459 771 A N 1.218 124.169 122.820 0.218 0.000 1.930 771 A HA -0.038 4.281 4.320 -0.002 0.000 0.217 771 A C 2.266 180.045 177.584 0.325 0.000 1.175 771 A CA 1.372 53.549 52.037 0.234 0.000 0.627 771 A CB -0.535 18.582 19.000 0.196 0.000 0.815 771 A HN 0.283 nan 8.150 nan 0.000 0.443 772 L N -1.832 119.610 121.223 0.365 0.000 2.270 772 L HA 0.111 4.450 4.340 -0.002 0.000 0.210 772 L C 1.997 179.111 176.870 0.407 0.000 1.104 772 L CA 1.274 56.372 54.840 0.429 0.000 0.804 772 L CB -0.653 41.644 42.059 0.396 0.000 0.937 772 L HN 0.400 nan 8.230 nan 0.000 0.450 773 F N 2.273 122.401 119.950 0.295 0.000 2.087 773 F HA -0.176 4.350 4.527 -0.002 0.000 0.299 773 F C -0.621 175.126 175.800 -0.088 0.000 1.100 773 F CA 1.871 59.918 58.000 0.078 0.000 1.226 773 F CB -1.824 37.233 39.000 0.095 0.000 0.983 773 F HN 0.215 nan 8.300 nan 0.000 0.479 774 P HA -0.160 nan 4.420 nan 0.000 0.228 774 P C 0.636 177.538 177.300 -0.664 0.000 1.151 774 P CA 1.698 64.363 63.100 -0.725 0.000 0.770 774 P CB -0.440 30.813 31.700 -0.746 0.000 0.786 775 Y N -2.310 117.891 120.300 -0.165 0.000 2.467 775 Y HA 0.091 4.640 4.550 -0.001 0.000 0.250 775 Y C 2.137 177.926 175.900 -0.184 0.000 1.155 775 Y CA -0.355 57.665 58.100 -0.133 0.000 1.249 775 Y CB -0.108 38.306 38.460 -0.076 0.000 1.146 775 Y HN -0.304 nan 8.280 nan 0.000 0.524 776 V N -0.061 119.778 119.914 -0.124 0.000 2.407 776 V HA -0.265 3.854 4.120 -0.002 0.000 0.248 776 V C 2.429 178.333 176.094 -0.317 0.000 1.055 776 V CA 2.239 64.433 62.300 -0.177 0.000 1.049 776 V CB -1.061 30.604 31.823 -0.264 0.000 0.662 776 V HN 0.612 nan 8.190 nan 0.000 0.455 777 G N -0.555 108.062 108.800 -0.306 0.000 2.421 777 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.216 777 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.216 777 G C 1.712 176.600 174.900 -0.019 0.000 1.171 777 G CA 1.522 46.517 45.100 -0.175 0.000 0.775 777 G HN 0.452 nan 8.290 nan 0.000 0.543 778 T N 1.228 115.783 114.554 0.001 0.000 2.746 778 T HA -0.046 4.303 4.350 -0.002 0.000 0.267 778 T C 2.408 177.102 174.700 -0.009 0.000 1.039 778 T CA 0.972 63.097 62.100 0.042 0.000 1.142 778 T CB -0.165 68.748 68.868 0.075 0.000 0.866 778 T HN 0.234 nan 8.240 nan 0.000 0.444 779 I N 0.108 120.571 120.570 -0.179 0.000 2.163 779 I HA -0.160 4.009 4.170 -0.002 0.000 0.243 779 I C 1.965 178.061 176.117 -0.034 0.000 1.085 779 I CA 1.453 62.572 61.300 -0.302 0.000 1.347 779 I CB -0.359 37.390 38.000 -0.419 0.000 1.044 779 I HN 0.165 nan 8.210 nan 0.000 0.408 780 F N 0.775 120.645 119.950 -0.133 0.000 2.171 780 F HA -0.242 4.284 4.527 -0.001 0.000 0.300 780 F C 2.679 178.531 175.800 0.087 0.000 1.090 780 F CA 1.479 59.477 58.000 -0.003 0.000 1.293 780 F CB -0.510 38.383 39.000 -0.178 0.000 1.013 780 F HN 0.060 nan 8.300 nan 0.000 0.486 781 Q N -0.870 119.055 119.800 0.209 0.000 2.112 781 Q HA -0.265 4.074 4.340 -0.002 0.000 0.206 781 Q C 2.166 178.198 176.000 0.053 0.000 0.987 781 Q CA 2.142 58.005 55.803 0.100 0.000 0.858 781 Q CB -0.453 28.351 28.738 0.110 0.000 0.905 781 Q HN 0.468 nan 8.270 nan 0.000 0.420 782 F N 0.621 120.584 119.950 0.021 0.000 2.102 782 F HA -0.184 4.340 4.527 -0.004 0.000 0.298 782 F C 1.804 177.580 175.800 -0.039 0.000 1.105 782 F CA 1.296 59.319 58.000 0.038 0.000 1.239 782 F CB -0.154 38.975 39.000 0.215 0.000 0.991 782 F HN -0.004 nan 8.300 nan 0.000 0.474 783 I N 0.476 121.055 120.570 0.015 0.000 2.248 783 I HA -0.360 3.809 4.170 -0.002 0.000 0.248 783 I C 2.655 178.590 176.117 -0.304 0.000 1.107 783 I CA 1.228 62.462 61.300 -0.110 0.000 1.373 783 I CB -0.974 37.006 38.000 -0.033 0.000 1.055 783 I HN 0.275 nan 8.210 nan 0.000 0.418 784 A N 0.145 122.672 122.820 -0.489 0.000 1.978 784 A HA -0.258 4.060 4.320 -0.002 0.000 0.220 784 A C 2.258 179.476 177.584 -0.610 0.000 1.170 784 A CA 1.588 53.008 52.037 -1.028 0.000 0.636 784 A CB -0.519 17.774 19.000 -1.178 0.000 0.810 784 A HN 0.503 nan 8.150 nan 0.000 0.448 785 Q N -0.627 118.884 119.800 -0.482 0.000 2.119 785 Q HA -0.081 4.258 4.340 -0.002 0.000 0.201 785 Q C 2.121 177.898 176.000 -0.372 0.000 0.972 785 Q CA 1.427 56.994 55.803 -0.393 0.000 0.847 785 Q CB -0.307 28.195 28.738 -0.393 0.000 0.903 785 Q HN 0.501 nan 8.270 nan 0.000 0.433 786 V N 1.158 120.773 119.914 -0.497 0.000 2.332 786 V HA -0.298 3.821 4.120 -0.002 0.000 0.248 786 V C 2.296 178.288 176.094 -0.170 0.000 1.055 786 V CA 1.891 63.992 62.300 -0.332 0.000 1.038 786 V CB -0.987 30.630 31.823 -0.343 0.000 0.651 786 V HN 0.401 nan 8.190 nan 0.000 0.450 787 A N -0.648 121.938 122.820 -0.391 0.000 1.978 787 A HA -0.275 4.044 4.320 -0.002 0.000 0.220 787 A C 2.235 179.840 177.584 0.035 0.000 1.170 787 A CA 2.174 54.012 52.037 -0.331 0.000 0.636 787 A CB -0.390 18.402 19.000 -0.346 0.000 0.810 787 A HN 0.634 nan 8.150 nan 0.000 0.448 788 E N -0.504 119.685 120.200 -0.019 0.000 2.140 788 E HA -0.057 4.292 4.350 -0.002 0.000 0.191 788 E C -0.046 176.641 176.600 0.144 0.000 0.973 788 E CA 0.276 56.705 56.400 0.048 0.000 0.829 788 E CB 0.169 29.816 29.700 -0.088 0.000 0.781 788 E HN 0.414 nan 8.360 nan 0.000 0.466 789 D N -0.060 120.366 120.400 0.042 0.000 2.313 789 D HA 0.065 4.703 4.640 -0.002 0.000 0.239 789 D C -1.870 174.216 176.300 -0.356 0.000 1.142 789 D CA -2.354 51.593 54.000 -0.088 0.000 0.847 789 D CB 1.536 42.269 40.800 -0.112 0.000 1.082 789 D HN -0.058 nan 8.370 nan 0.000 0.480 790 P HA -0.163 nan 4.420 nan 0.000 0.217 790 P C 1.171 178.119 177.300 -0.587 0.000 1.148 790 P CA 1.034 63.499 63.100 -1.059 0.000 0.828 790 P CB 0.390 31.819 31.700 -0.452 0.000 0.783 791 Q N -1.258 118.356 119.800 -0.311 0.000 2.369 791 Q HA -0.025 4.314 4.340 -0.002 0.000 0.206 791 Q C 1.896 177.819 176.000 -0.127 0.000 0.963 791 Q CA 0.819 56.520 55.803 -0.170 0.000 0.894 791 Q CB -0.317 28.355 28.738 -0.109 0.000 0.965 791 Q HN 0.244 nan 8.270 nan 0.000 0.475 792 L N -1.379 119.754 121.223 -0.151 0.000 2.265 792 L HA -0.016 4.322 4.340 -0.002 0.000 0.195 792 L C 2.133 179.029 176.870 0.044 0.000 1.083 792 L CA 0.504 55.312 54.840 -0.052 0.000 0.798 792 L CB -0.700 41.318 42.059 -0.068 0.000 0.989 792 L HN 0.313 nan 8.230 nan 0.000 0.472 793 Y N 0.070 120.431 120.300 0.101 0.000 2.333 793 Y HA -0.143 4.408 4.550 0.001 0.000 0.290 793 Y C 2.527 178.630 175.900 0.339 0.000 1.144 793 Y CA 0.818 59.054 58.100 0.226 0.000 1.228 793 Y CB -1.440 37.196 38.460 0.294 0.000 0.985 793 Y HN 0.177 nan 8.280 nan 0.000 0.542 794 S N -0.963 114.861 115.700 0.207 0.000 2.562 794 S HA -0.006 4.463 4.470 -0.002 0.000 0.221 794 S C 0.503 175.250 174.600 0.246 0.000 0.975 794 S CA -0.190 58.181 58.200 0.285 0.000 0.918 794 S CB -0.434 62.776 63.200 0.016 0.000 0.772 794 S HN 0.374 nan 8.310 nan 0.000 0.531 795 E N 2.336 122.657 120.200 0.202 0.000 2.217 795 E HA 0.135 4.483 4.350 -0.002 0.000 0.279 795 E C 0.328 177.078 176.600 0.250 0.000 1.068 795 E CA -0.035 56.465 56.400 0.167 0.000 0.882 795 E CB 1.288 31.045 29.700 0.095 0.000 1.039 795 E HN 0.364 nan 8.360 nan 0.000 0.418 796 D N 3.779 124.334 120.400 0.259 0.000 2.133 796 D HA -0.203 4.436 4.640 -0.002 0.000 0.195 796 D C 1.582 177.970 176.300 0.147 0.000 0.997 796 D CA 1.906 56.080 54.000 0.290 0.000 0.840 796 D CB 0.332 41.271 40.800 0.233 0.000 0.947 796 D HN 0.513 nan 8.370 nan 0.000 0.452 797 A N -0.833 122.051 122.820 0.107 0.000 1.902 797 A HA -0.137 4.182 4.320 -0.002 0.000 0.217 797 A C 2.373 180.001 177.584 0.072 0.000 1.181 797 A CA 2.200 54.278 52.037 0.068 0.000 0.623 797 A CB -0.926 18.104 19.000 0.051 0.000 0.818 797 A HN 0.327 nan 8.150 nan 0.000 0.443 798 T N -0.330 114.282 114.554 0.095 0.000 2.737 798 T HA -0.084 4.264 4.350 -0.002 0.000 0.265 798 T C 2.271 177.046 174.700 0.124 0.000 1.038 798 T CA 1.633 63.799 62.100 0.109 0.000 1.144 798 T CB -0.283 68.652 68.868 0.112 0.000 0.866 798 T HN 0.434 nan 8.240 nan 0.000 0.434 799 S N 0.679 116.448 115.700 0.115 0.000 2.368 799 S HA -0.057 4.411 4.470 -0.002 0.000 0.224 799 S C 2.125 176.720 174.600 -0.009 0.000 1.029 799 S CA 1.007 59.248 58.200 0.069 0.000 0.988 799 S CB -0.199 62.882 63.200 -0.199 0.000 0.838 799 S HN 0.406 nan 8.310 nan 0.000 0.462 800 R N 1.278 121.757 120.500 -0.036 0.000 2.091 800 R HA -0.076 4.263 4.340 -0.002 0.000 0.238 800 R C 2.240 178.561 176.300 0.034 0.000 1.136 800 R CA 1.465 57.551 56.100 -0.022 0.000 0.959 800 R CB -0.482 29.812 30.300 -0.010 0.000 0.856 800 R HN 0.357 nan 8.270 nan 0.000 0.437 801 A N 0.449 123.305 122.820 0.060 0.000 1.898 801 A HA -0.045 4.273 4.320 -0.002 0.000 0.216 801 A C 2.359 180.014 177.584 0.118 0.000 1.181 801 A CA 1.547 53.631 52.037 0.079 0.000 0.620 801 A CB -0.868 18.180 19.000 0.081 0.000 0.819 801 A HN 0.539 nan 8.150 nan 0.000 0.442 802 A N -0.719 122.193 122.820 0.153 0.000 1.858 802 A HA -0.037 4.282 4.320 -0.002 0.000 0.216 802 A C 2.226 179.926 177.584 0.194 0.000 1.190 802 A CA 1.776 53.928 52.037 0.192 0.000 0.617 802 A CB -1.101 18.036 19.000 0.229 0.000 0.827 802 A HN 0.430 nan 8.150 nan 0.000 0.443 803 V N -0.007 120.029 119.914 0.204 0.000 2.594 803 V HA -0.169 3.950 4.120 -0.002 0.000 0.253 803 V C 2.648 178.841 176.094 0.165 0.000 1.069 803 V CA 1.875 64.269 62.300 0.157 0.000 1.082 803 V CB -1.002 30.825 31.823 0.006 0.000 0.680 803 V HN 0.654 nan 8.190 nan 0.000 0.469 804 G N -0.679 108.208 108.800 0.145 0.000 2.418 804 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.217 804 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.217 804 G C 1.567 176.583 174.900 0.192 0.000 1.158 804 G CA 0.873 46.074 45.100 0.168 0.000 0.771 804 G HN 0.466 nan 8.290 nan 0.000 0.545 805 L N 0.136 121.444 121.223 0.140 0.000 2.017 805 L HA -0.047 4.291 4.340 -0.002 0.000 0.208 805 L C 2.886 179.831 176.870 0.126 0.000 1.073 805 L CA 0.790 55.699 54.840 0.114 0.000 0.745 805 L CB -0.373 41.720 42.059 0.056 0.000 0.894 805 L HN 0.198 nan 8.230 nan 0.000 0.432 806 I N -0.249 120.373 120.570 0.087 0.000 2.113 806 I HA -0.321 3.847 4.170 -0.002 0.000 0.242 806 I C 2.562 178.879 176.117 0.333 0.000 1.064 806 I CA 1.772 63.164 61.300 0.154 0.000 1.320 806 I CB -0.946 37.151 38.000 0.162 0.000 1.028 806 I HN 0.342 nan 8.210 nan 0.000 0.406 807 G N 0.096 109.063 108.800 0.278 0.000 2.404 807 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.215 807 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.215 807 G C 1.248 176.346 174.900 0.329 0.000 1.174 807 G CA 0.910 46.149 45.100 0.232 0.000 0.780 807 G HN 0.289 nan 8.290 nan 0.000 0.537 808 D N 0.471 121.117 120.400 0.409 0.000 2.144 808 D HA -0.027 4.612 4.640 -0.002 0.000 0.200 808 D C 2.527 179.011 176.300 0.306 0.000 0.978 808 D CA 0.326 54.546 54.000 0.367 0.000 0.833 808 D CB -0.084 40.876 40.800 0.266 0.000 0.961 808 D HN 0.360 nan 8.370 nan 0.000 0.470 809 I N 1.040 121.805 120.570 0.325 0.000 2.202 809 I HA -0.233 3.936 4.170 -0.002 0.000 0.242 809 I C 2.464 178.866 176.117 0.476 0.000 1.091 809 I CA 0.893 62.445 61.300 0.420 0.000 1.368 809 I CB -0.227 38.046 38.000 0.455 0.000 1.058 809 I HN -0.077 nan 8.210 nan 0.000 0.410 810 A N 0.973 124.032 122.820 0.399 0.000 1.892 810 A HA -0.260 4.059 4.320 -0.002 0.000 0.218 810 A C 2.543 180.169 177.584 0.069 0.000 1.188 810 A CA 2.131 54.242 52.037 0.124 0.000 0.631 810 A CB -0.979 17.863 19.000 -0.262 0.000 0.822 810 A HN 0.452 nan 8.150 nan 0.000 0.447 811 A N -1.028 121.836 122.820 0.072 0.000 2.024 811 A HA -0.154 4.164 4.320 -0.002 0.000 0.220 811 A C 2.199 179.802 177.584 0.032 0.000 1.164 811 A CA 1.917 53.998 52.037 0.073 0.000 0.643 811 A CB -0.520 18.621 19.000 0.236 0.000 0.806 811 A HN 0.567 nan 8.150 nan 0.000 0.451 812 M N -2.149 117.453 119.600 0.004 0.000 2.419 812 M HA 0.096 4.574 4.480 -0.002 0.000 0.264 812 M C -0.482 175.475 176.300 -0.572 0.000 1.082 812 M CA 0.831 55.947 55.300 -0.307 0.000 1.119 812 M CB 0.205 32.562 32.600 -0.404 0.000 1.398 812 M HN 0.375 nan 8.290 nan 0.000 0.453 813 F N 0.145 120.136 119.950 0.069 0.000 2.449 813 F HA 0.312 4.838 4.527 -0.002 0.000 0.329 813 F C -1.782 174.021 175.800 0.006 0.000 1.245 813 F CA -1.864 56.167 58.000 0.052 0.000 1.193 813 F CB 0.289 39.363 39.000 0.123 0.000 1.425 813 F HN -0.068 nan 8.300 nan 0.000 0.544 814 P HA -0.059 nan 4.420 nan 0.000 0.245 814 P C 0.573 177.891 177.300 0.030 0.000 1.212 814 P CA 0.747 63.863 63.100 0.027 0.000 0.774 814 P CB 0.151 31.846 31.700 -0.009 0.000 0.999 815 D N -1.128 119.310 120.400 0.063 0.000 2.340 815 D HA 0.070 4.709 4.640 -0.002 0.000 0.220 815 D C 1.478 177.797 176.300 0.033 0.000 1.039 815 D CA 0.565 54.587 54.000 0.036 0.000 0.866 815 D CB -0.710 40.107 40.800 0.029 0.000 0.913 815 D HN 0.220 nan 8.370 nan 0.000 0.523 816 G N 0.556 109.390 108.800 0.056 0.000 2.175 816 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.244 816 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.244 816 G C 1.186 176.115 174.900 0.049 0.000 0.982 816 G CA 0.706 45.830 45.100 0.039 0.000 0.641 816 G HN 0.551 nan 8.290 nan 0.000 0.527 817 S N -0.013 115.720 115.700 0.054 0.000 2.469 817 S HA 0.088 4.557 4.470 -0.002 0.000 0.238 817 S C 1.890 176.558 174.600 0.114 0.000 0.998 817 S CA 1.438 59.653 58.200 0.025 0.000 0.957 817 S CB -0.366 62.755 63.200 -0.131 0.000 0.764 817 S HN 1.509 nan 8.310 nan 0.000 0.514 818 I N -1.675 118.967 120.570 0.121 0.000 3.966 818 I HA 0.374 4.543 4.170 -0.002 0.000 0.324 818 I C 1.444 177.715 176.117 0.258 0.000 1.517 818 I CA -0.646 60.778 61.300 0.207 0.000 1.117 818 I CB 0.149 38.253 38.000 0.174 0.000 1.190 818 I HN 0.069 nan 8.210 nan 0.000 0.466 819 K N 2.119 122.611 120.400 0.154 0.000 2.211 819 K HA -0.226 4.093 4.320 -0.002 0.000 0.204 819 K C 1.715 178.368 176.600 0.089 0.000 1.047 819 K CA 1.925 58.304 56.287 0.153 0.000 0.935 819 K CB -0.276 32.252 32.500 0.046 0.000 0.728 819 K HN 0.656 nan 8.250 nan 0.000 0.452 820 Q N 0.788 120.534 119.800 -0.090 0.000 2.170 820 Q HA -0.168 4.171 4.340 -0.002 0.000 0.203 820 Q C 1.743 177.515 176.000 -0.380 0.000 0.976 820 Q CA 1.422 57.069 55.803 -0.260 0.000 0.858 820 Q CB -0.722 27.785 28.738 -0.384 0.000 0.907 820 Q HN 0.496 nan 8.270 nan 0.000 0.433 821 F N -0.057 119.699 119.950 -0.325 0.000 2.365 821 F HA -0.050 4.476 4.527 -0.002 0.000 0.300 821 F C 1.289 176.688 175.800 -0.669 0.000 1.090 821 F CA 0.719 58.306 58.000 -0.689 0.000 1.408 821 F CB -0.120 37.980 39.000 -1.501 0.000 1.060 821 F HN 0.012 nan 8.300 nan 0.000 0.534 822 Y N -1.113 119.120 120.300 -0.112 0.000 2.482 822 Y HA 0.195 4.744 4.550 -0.002 0.000 0.270 822 Y C 2.263 178.101 175.900 -0.104 0.000 1.152 822 Y CA 0.333 58.388 58.100 -0.076 0.000 1.292 822 Y CB -0.377 38.072 38.460 -0.019 0.000 1.070 822 Y HN -0.035 nan 8.280 nan 0.000 0.528 823 G N -0.525 108.266 108.800 -0.014 0.000 2.985 823 G HA2 0.000 3.959 3.960 -0.002 0.000 0.209 823 G HA3 0.000 3.959 3.960 -0.002 0.000 0.209 823 G C 0.355 175.206 174.900 -0.083 0.000 1.165 823 G CA -0.231 44.844 45.100 -0.042 0.000 0.776 823 G HN 0.263 nan 8.290 nan 0.000 0.541 824 Q N 0.633 120.341 119.800 -0.154 0.000 2.327 824 Q HA 0.143 4.482 4.340 -0.002 0.000 0.254 824 Q C 0.320 176.217 176.000 -0.172 0.000 0.952 824 Q CA -0.560 55.150 55.803 -0.155 0.000 0.884 824 Q CB 1.373 29.982 28.738 -0.216 0.000 1.224 824 Q HN 0.067 nan 8.270 nan 0.000 0.422 825 D N 2.691 123.070 120.400 -0.036 0.000 2.106 825 D HA -0.204 4.435 4.640 -0.002 0.000 0.191 825 D C 1.778 178.096 176.300 0.029 0.000 0.997 825 D CA 1.513 55.522 54.000 0.015 0.000 0.834 825 D CB -0.116 40.731 40.800 0.079 0.000 0.956 825 D HN 0.813 nan 8.370 nan 0.000 0.448 826 W N 1.528 122.861 121.300 0.055 0.000 2.325 826 W HA -0.161 4.498 4.660 -0.001 0.000 0.299 826 W C 1.633 178.217 176.519 0.108 0.000 1.215 826 W CA 0.464 57.848 57.345 0.064 0.000 1.244 826 W CB -1.193 28.291 29.460 0.041 0.000 1.140 826 W HN -0.176 nan 8.180 nan 0.000 0.523 827 V N 2.464 121.933 119.914 -0.742 0.000 2.244 827 V HA -0.325 3.794 4.120 -0.002 0.000 0.244 827 V C 2.712 178.727 176.094 -0.132 0.000 1.042 827 V CA 2.352 64.267 62.300 -0.642 0.000 1.006 827 V CB -0.960 30.389 31.823 -0.791 0.000 0.641 827 V HN 0.087 nan 8.190 nan 0.000 0.446 828 I N 0.380 120.883 120.570 -0.112 0.000 2.113 828 I HA -0.317 3.852 4.170 -0.002 0.000 0.242 828 I C 2.317 178.444 176.117 0.017 0.000 1.064 828 I CA 2.001 63.285 61.300 -0.027 0.000 1.320 828 I CB -0.625 37.362 38.000 -0.022 0.000 1.028 828 I HN 0.333 nan 8.210 nan 0.000 0.406 829 D N -0.256 120.176 120.400 0.053 0.000 2.182 829 D HA -0.227 4.411 4.640 -0.002 0.000 0.201 829 D C 1.903 178.267 176.300 0.106 0.000 0.986 829 D CA 1.268 55.316 54.000 0.081 0.000 0.847 829 D CB -0.315 40.553 40.800 0.112 0.000 0.942 829 D HN 0.383 nan 8.370 nan 0.000 0.467 830 Y N 1.061 121.380 120.300 0.030 0.000 2.220 830 Y HA -0.061 4.488 4.550 -0.003 0.000 0.291 830 Y C 2.115 178.010 175.900 -0.008 0.000 1.129 830 Y CA 0.899 59.016 58.100 0.028 0.000 1.161 830 Y CB -0.397 38.134 38.460 0.118 0.000 0.997 830 Y HN -0.102 nan 8.280 nan 0.000 0.522 831 I N 0.275 120.779 120.570 -0.110 0.000 2.099 831 I HA -0.377 3.792 4.170 -0.002 0.000 0.239 831 I C 2.419 178.445 176.117 -0.152 0.000 1.066 831 I CA 1.806 63.003 61.300 -0.172 0.000 1.324 831 I CB -0.444 37.528 38.000 -0.046 0.000 1.037 831 I HN 0.128 nan 8.210 nan 0.000 0.401 832 K N 0.472 120.830 120.400 -0.070 0.000 2.044 832 K HA -0.235 4.084 4.320 -0.002 0.000 0.210 832 K C 2.276 178.852 176.600 -0.041 0.000 1.049 832 K CA 1.633 57.898 56.287 -0.038 0.000 0.927 832 K CB -0.321 32.174 32.500 -0.008 0.000 0.713 832 K HN 0.270 nan 8.250 nan 0.000 0.443 833 R N 0.194 120.661 120.500 -0.056 0.000 2.120 833 R HA -0.083 4.256 4.340 -0.002 0.000 0.234 833 R C 2.259 178.579 176.300 0.032 0.000 1.123 833 R CA 1.602 57.696 56.100 -0.011 0.000 0.975 833 R CB -0.210 30.078 30.300 -0.021 0.000 0.866 833 R HN 0.219 nan 8.270 nan 0.000 0.446 834 T N -0.145 114.290 114.554 -0.198 0.000 2.904 834 T HA -0.036 4.312 4.350 -0.002 0.000 0.267 834 T C 1.569 176.229 174.700 -0.066 0.000 1.059 834 T CA 0.836 62.733 62.100 -0.337 0.000 1.137 834 T CB -0.025 68.445 68.868 -0.665 0.000 0.879 834 T HN 0.201 nan 8.240 nan 0.000 0.467 835 R N 0.826 121.303 120.500 -0.037 0.000 2.307 835 R HA 0.197 4.536 4.340 -0.002 0.000 0.199 835 R C 0.709 177.049 176.300 0.067 0.000 1.000 835 R CA 0.021 56.133 56.100 0.020 0.000 1.023 835 R CB 0.153 30.453 30.300 -0.001 0.000 0.908 835 R HN 0.122 nan 8.270 nan 0.000 0.473 836 S N -0.791 114.967 115.700 0.097 0.000 2.646 836 S HA 0.535 5.004 4.470 -0.002 0.000 0.276 836 S C 0.437 175.082 174.600 0.075 0.000 1.222 836 S CA 0.036 58.281 58.200 0.075 0.000 1.014 836 S CB 1.505 64.740 63.200 0.059 0.000 0.991 836 S HN 0.559 nan 8.310 nan 0.000 0.533 837 G N 1.984 110.806 108.800 0.037 0.000 2.552 837 G HA2 -0.197 3.761 3.960 -0.002 0.000 0.265 837 G HA3 -0.197 3.761 3.960 -0.002 0.000 0.265 837 G C -0.229 174.677 174.900 0.011 0.000 1.234 837 G CA 0.068 45.176 45.100 0.013 0.000 0.944 837 G HN 0.613 nan 8.290 nan 0.000 0.568 838 Q N -0.256 119.535 119.800 -0.016 0.000 2.155 838 Q HA 0.373 4.712 4.340 -0.002 0.000 0.220 838 Q C 2.504 178.463 176.000 -0.068 0.000 0.819 838 Q CA -0.108 55.684 55.803 -0.019 0.000 1.032 838 Q CB 0.864 29.591 28.738 -0.018 0.000 1.151 838 Q HN 0.579 nan 8.270 nan 0.000 0.487 839 L N -0.567 120.570 121.223 -0.145 0.000 2.093 839 L HA -0.033 4.306 4.340 -0.002 0.000 0.208 839 L C 0.463 176.992 176.870 -0.567 0.000 1.085 839 L CA 1.433 56.042 54.840 -0.385 0.000 0.755 839 L CB 0.016 41.744 42.059 -0.552 0.000 0.904 839 L HN 0.071 nan 8.230 nan 0.000 0.435 840 F N -1.823 118.141 119.950 0.023 0.000 2.618 840 F HA 0.333 4.858 4.527 -0.003 0.000 0.332 840 F C 0.760 176.569 175.800 0.014 0.000 1.061 840 F CA -1.096 56.917 58.000 0.022 0.000 0.974 840 F CB 1.311 40.321 39.000 0.016 0.000 1.310 840 F HN -0.261 nan 8.300 nan 0.000 0.491 841 S N -0.148 115.699 115.700 0.245 0.000 2.669 841 S HA 0.188 4.656 4.470 -0.002 0.000 0.270 841 S C 0.688 175.348 174.600 0.100 0.000 1.225 841 S CA -0.520 57.755 58.200 0.125 0.000 0.991 841 S CB 1.524 64.780 63.200 0.093 0.000 0.987 841 S HN 0.666 nan 8.310 nan 0.000 0.552 842 Q N 1.088 120.925 119.800 0.062 0.000 2.084 842 Q HA -0.015 4.324 4.340 -0.002 0.000 0.202 842 Q C 2.175 178.195 176.000 0.032 0.000 0.978 842 Q CA 2.282 58.111 55.803 0.044 0.000 0.844 842 Q CB -1.143 27.613 28.738 0.029 0.000 0.898 842 Q HN 0.930 nan 8.270 nan 0.000 0.426 843 A N -0.911 121.925 122.820 0.026 0.000 1.933 843 A HA -0.183 4.135 4.320 -0.002 0.000 0.218 843 A C 2.279 179.866 177.584 0.005 0.000 1.175 843 A CA 1.975 54.017 52.037 0.009 0.000 0.628 843 A CB -0.995 18.007 19.000 0.004 0.000 0.814 843 A HN 0.484 nan 8.150 nan 0.000 0.444 844 T N 0.022 114.587 114.554 0.017 0.000 2.708 844 T HA -0.134 4.215 4.350 -0.002 0.000 0.266 844 T C 1.943 176.627 174.700 -0.027 0.000 1.037 844 T CA 1.830 63.918 62.100 -0.019 0.000 1.146 844 T CB -0.214 68.638 68.868 -0.028 0.000 0.865 844 T HN 0.559 nan 8.240 nan 0.000 0.435 845 K N 0.889 121.297 120.400 0.014 0.000 2.103 845 K HA -0.108 4.211 4.320 -0.002 0.000 0.207 845 K C 2.081 178.694 176.600 0.022 0.000 1.048 845 K CA 1.440 57.737 56.287 0.017 0.000 0.930 845 K CB -0.086 32.441 32.500 0.046 0.000 0.716 845 K HN 0.233 nan 8.250 nan 0.000 0.444 846 D N -0.187 120.229 120.400 0.026 0.000 2.149 846 D HA -0.084 4.555 4.640 -0.002 0.000 0.201 846 D C 1.784 178.125 176.300 0.067 0.000 0.972 846 D CA 1.186 55.209 54.000 0.039 0.000 0.835 846 D CB -0.224 40.587 40.800 0.018 0.000 0.966 846 D HN 0.146 nan 8.370 nan 0.000 0.476 847 T N 0.789 115.368 114.554 0.041 0.000 2.746 847 T HA -0.105 4.244 4.350 -0.002 0.000 0.267 847 T C 2.050 176.847 174.700 0.161 0.000 1.039 847 T CA 1.453 63.602 62.100 0.081 0.000 1.142 847 T CB -0.245 68.638 68.868 0.024 0.000 0.866 847 T HN 0.176 nan 8.240 nan 0.000 0.444 848 A N 1.664 124.518 122.820 0.056 0.000 1.933 848 A HA -0.116 4.203 4.320 -0.002 0.000 0.218 848 A C 2.299 179.917 177.584 0.058 0.000 1.175 848 A CA 1.703 53.751 52.037 0.019 0.000 0.628 848 A CB -0.616 18.334 19.000 -0.084 0.000 0.814 848 A HN 0.408 nan 8.150 nan 0.000 0.444 849 R N -0.976 119.572 120.500 0.079 0.000 2.083 849 R HA -0.201 4.138 4.340 -0.002 0.000 0.237 849 R C 2.172 178.551 176.300 0.132 0.000 1.137 849 R CA 1.958 58.109 56.100 0.086 0.000 0.951 849 R CB -0.444 29.910 30.300 0.090 0.000 0.851 849 R HN 0.864 nan 8.270 nan 0.000 0.434 850 W N 1.079 122.376 121.300 -0.005 0.000 2.402 850 W HA -0.086 4.572 4.660 -0.002 0.000 0.286 850 W C 1.442 177.970 176.519 0.014 0.000 1.221 850 W CA 1.297 58.644 57.345 0.003 0.000 1.257 850 W CB -0.336 29.126 29.460 0.004 0.000 1.120 850 W HN 0.190 nan 8.180 nan 0.000 0.551 851 A N 1.542 124.394 122.820 0.052 0.000 1.872 851 A HA -0.194 4.125 4.320 -0.002 0.000 0.214 851 A C 2.017 179.550 177.584 -0.085 0.000 1.187 851 A CA 2.036 54.044 52.037 -0.048 0.000 0.614 851 A CB -0.982 18.083 19.000 0.108 0.000 0.826 851 A HN 0.266 nan 8.150 nan 0.000 0.442 852 R N 0.388 120.867 120.500 -0.035 0.000 2.119 852 R HA -0.192 4.147 4.340 -0.002 0.000 0.246 852 R C 1.824 178.071 176.300 -0.089 0.000 1.146 852 R CA 2.360 58.436 56.100 -0.040 0.000 0.962 852 R CB -0.539 29.751 30.300 -0.017 0.000 0.863 852 R HN 0.688 nan 8.270 nan 0.000 0.442 853 E N -0.825 119.294 120.200 -0.136 0.000 2.107 853 E HA -0.120 4.229 4.350 -0.002 0.000 0.191 853 E C 2.006 178.445 176.600 -0.268 0.000 0.982 853 E CA 0.859 57.158 56.400 -0.170 0.000 0.809 853 E CB 0.098 29.711 29.700 -0.144 0.000 0.756 853 E HN 0.341 nan 8.360 nan 0.000 0.459 854 Q N 0.278 119.827 119.800 -0.418 0.000 2.172 854 Q HA -0.143 4.196 4.340 -0.002 0.000 0.200 854 Q C 2.050 177.825 176.000 -0.375 0.000 0.964 854 Q CA 0.916 56.441 55.803 -0.464 0.000 0.855 854 Q CB -0.083 28.277 28.738 -0.629 0.000 0.918 854 Q HN 0.329 nan 8.270 nan 0.000 0.444 855 Q N 1.215 120.861 119.800 -0.257 0.000 2.119 855 Q HA -0.125 4.214 4.340 -0.002 0.000 0.201 855 Q C 1.656 177.581 176.000 -0.126 0.000 0.972 855 Q CA 1.085 56.793 55.803 -0.159 0.000 0.847 855 Q CB 0.174 28.954 28.738 0.070 0.000 0.903 855 Q HN 0.270 nan 8.270 nan 0.000 0.433 856 K N 0.213 120.545 120.400 -0.114 0.000 2.026 856 K HA -0.167 4.151 4.320 -0.002 0.000 0.208 856 K C 2.316 178.855 176.600 -0.103 0.000 1.048 856 K CA 1.393 57.628 56.287 -0.087 0.000 0.929 856 K CB -0.215 32.240 32.500 -0.074 0.000 0.713 856 K HN 0.086 nan 8.250 nan 0.000 0.439 857 R N 0.968 121.384 120.500 -0.141 0.000 2.127 857 R HA -0.165 4.173 4.340 -0.002 0.000 0.238 857 R C 2.245 178.468 176.300 -0.128 0.000 1.134 857 R CA 1.409 57.430 56.100 -0.131 0.000 0.975 857 R CB 0.101 30.305 30.300 -0.160 0.000 0.865 857 R HN 0.222 nan 8.270 nan 0.000 0.447 858 Q N 0.151 119.844 119.800 -0.177 0.000 2.083 858 Q HA -0.118 4.221 4.340 -0.002 0.000 0.198 858 Q C 2.267 178.222 176.000 -0.075 0.000 0.969 858 Q CA 1.158 56.862 55.803 -0.164 0.000 0.838 858 Q CB -0.044 28.494 28.738 -0.334 0.000 0.900 858 Q HN 0.423 nan 8.270 nan 0.000 0.436 859 L N 0.994 122.183 121.223 -0.057 0.000 2.083 859 L HA -0.169 4.170 4.340 -0.002 0.000 0.209 859 L C 2.529 179.380 176.870 -0.032 0.000 1.083 859 L CA 1.492 56.315 54.840 -0.028 0.000 0.752 859 L CB -0.540 41.507 42.059 -0.021 0.000 0.899 859 L HN 0.234 nan 8.230 nan 0.000 0.433 860 S N -0.658 115.018 115.700 -0.040 0.000 2.515 860 S HA 0.012 4.481 4.470 -0.002 0.000 0.231 860 S C 0.949 175.530 174.600 -0.031 0.000 0.987 860 S CA 0.048 58.227 58.200 -0.034 0.000 0.936 860 S CB -0.521 62.657 63.200 -0.037 0.000 0.766 860 S HN 0.208 nan 8.310 nan 0.000 0.528 861 L N 0.000 121.202 121.223 -0.035 0.000 2.949 861 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 861 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 861 L CB 0.000 42.042 42.059 -0.027 0.000 0.961 861 L HN 0.000 nan 8.230 nan 0.000 0.502