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 3fps_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG 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 0.000 176.235 176.300 -0.108 0.000 1.140 1 M CA 0.000 55.230 55.300 -0.117 0.000 0.988 1 M CB 0.000 32.481 32.600 -0.198 0.000 1.302 2 E N 2.253 122.379 120.200 -0.124 0.000 2.030 2 E HA 0.220 4.534 4.350 -0.060 0.000 0.189 2 E C 0.758 177.339 176.600 -0.032 0.000 0.974 2 E CA 1.140 57.510 56.400 -0.050 0.000 0.807 2 E CB 0.366 30.053 29.700 -0.020 0.000 0.771 2 E HN 0.735 nan 8.360 nan 0.000 0.451 3 A N 0.930 123.691 122.820 -0.098 0.000 3.260 3 A HA 0.469 4.754 4.320 -0.060 0.000 0.268 3 A C 1.280 178.716 177.584 -0.247 0.000 1.491 3 A CA 0.605 52.567 52.037 -0.125 0.000 1.181 3 A CB -0.336 18.563 19.000 -0.169 0.000 1.137 3 A HN 0.178 nan 8.150 nan 0.000 0.642 4 A N 1.034 123.788 122.820 -0.110 0.000 1.898 4 A HA -0.151 4.133 4.320 -0.060 0.000 0.216 4 A C 1.972 179.486 177.584 -0.117 0.000 1.181 4 A CA 1.534 53.505 52.037 -0.110 0.000 0.620 4 A CB -0.903 18.083 19.000 -0.024 0.000 0.819 4 A HN 0.947 nan 8.150 nan 0.000 0.442 5 H N 0.204 119.253 119.070 -0.035 0.000 2.492 5 H HA -0.096 4.424 4.556 -0.060 0.000 0.296 5 H C 1.617 176.928 175.328 -0.029 0.000 1.095 5 H CA 1.766 57.798 56.048 -0.027 0.000 1.281 5 H CB -0.481 29.278 29.762 -0.005 0.000 1.374 5 H HN 0.567 nan 8.280 nan 0.000 0.545 6 S N -0.565 114.762 115.700 -0.622 0.000 2.540 6 S HA 0.187 4.621 4.470 -0.060 0.000 0.218 6 S C 0.500 174.961 174.600 -0.232 0.000 0.977 6 S CA -0.700 57.227 58.200 -0.455 0.000 0.918 6 S CB 0.544 63.375 63.200 -0.615 0.000 0.806 6 S HN 0.024 nan 8.310 nan 0.000 0.496 7 K N 3.096 123.379 120.400 -0.195 0.000 2.098 7 K HA 0.461 4.745 4.320 -0.060 0.000 0.258 7 K C 0.468 177.024 176.600 -0.072 0.000 0.973 7 K CA -0.317 55.896 56.287 -0.123 0.000 0.898 7 K CB 1.545 33.966 32.500 -0.132 0.000 1.057 7 K HN 0.431 nan 8.250 nan 0.000 0.447 8 S N -0.019 115.652 115.700 -0.048 0.000 2.580 8 S HA -0.047 4.387 4.470 -0.060 0.000 0.261 8 S C 1.373 175.965 174.600 -0.013 0.000 1.366 8 S CA 0.198 58.382 58.200 -0.027 0.000 0.996 8 S CB 0.473 63.663 63.200 -0.018 0.000 0.902 8 S HN 0.558 nan 8.310 nan 0.000 0.566 9 T N 1.127 115.678 114.554 -0.005 0.000 2.788 9 T HA -0.099 4.215 4.350 -0.060 0.000 0.268 9 T C 1.487 176.199 174.700 0.021 0.000 1.044 9 T CA 2.038 64.141 62.100 0.006 0.000 1.139 9 T CB -0.656 68.213 68.868 0.002 0.000 0.867 9 T HN 0.771 nan 8.240 nan 0.000 0.454 10 E N 0.960 121.171 120.200 0.018 0.000 2.072 10 E HA -0.017 4.297 4.350 -0.060 0.000 0.190 10 E C 2.170 178.796 176.600 0.043 0.000 0.982 10 E CA 0.844 57.262 56.400 0.030 0.000 0.803 10 E CB -0.221 29.492 29.700 0.021 0.000 0.755 10 E HN 0.560 nan 8.360 nan 0.000 0.453 11 E N -0.189 120.028 120.200 0.028 0.000 2.171 11 E HA -0.209 4.105 4.350 -0.060 0.000 0.197 11 E C 1.689 178.329 176.600 0.068 0.000 0.997 11 E CA 1.200 57.619 56.400 0.031 0.000 0.810 11 E CB -0.162 29.535 29.700 -0.006 0.000 0.738 11 E HN 0.266 nan 8.360 nan 0.000 0.467 12 C N -0.093 119.250 119.300 0.072 0.000 2.467 12 C HA 0.007 4.432 4.460 -0.060 0.000 0.279 12 C C 2.400 177.550 174.990 0.268 0.000 1.347 12 C CA 0.191 59.295 59.018 0.143 0.000 1.748 12 C CB -0.635 27.169 27.740 0.107 0.000 1.977 12 C HN 0.388 nan 8.230 nan 0.000 0.501 13 L N 0.916 122.248 121.223 0.182 0.000 2.095 13 L HA -0.026 4.278 4.340 -0.060 0.000 0.204 13 L C 2.828 179.808 176.870 0.183 0.000 1.080 13 L CA 1.439 56.393 54.840 0.189 0.000 0.759 13 L CB -0.757 41.366 42.059 0.107 0.000 0.914 13 L HN 0.239 nan 8.230 nan 0.000 0.439 14 A N -0.943 121.956 122.820 0.131 0.000 2.125 14 A HA -0.263 4.022 4.320 -0.060 0.000 0.219 14 A C 2.134 179.775 177.584 0.094 0.000 1.156 14 A CA 1.358 53.452 52.037 0.095 0.000 0.671 14 A CB -0.718 18.323 19.000 0.069 0.000 0.794 14 A HN 0.514 nan 8.150 nan 0.000 0.459 15 Y N -1.601 118.687 120.300 -0.019 0.000 2.365 15 Y HA 0.079 4.593 4.550 -0.060 0.000 0.293 15 Y C 1.236 176.974 175.900 -0.271 0.000 1.119 15 Y CA 1.141 59.135 58.100 -0.177 0.000 1.203 15 Y CB 0.040 38.328 38.460 -0.287 0.000 1.026 15 Y HN 0.251 nan 8.280 nan 0.000 0.549 16 F N 0.107 120.117 119.950 0.099 0.000 2.695 16 F HA 0.341 4.832 4.527 -0.060 0.000 0.303 16 F C 1.556 177.394 175.800 0.063 0.000 1.091 16 F CA 0.344 58.394 58.000 0.083 0.000 1.300 16 F CB -0.016 39.097 39.000 0.188 0.000 1.071 16 F HN 0.029 nan 8.300 nan 0.000 0.578 17 G N 2.200 111.094 108.800 0.157 0.000 2.372 17 G HA2 -0.127 3.798 3.960 -0.060 0.000 0.290 17 G HA3 -0.127 3.798 3.960 -0.060 0.000 0.290 17 G C -0.530 174.440 174.900 0.117 0.000 0.965 17 G CA 0.514 45.675 45.100 0.101 0.000 1.263 17 G HN 0.367 nan 8.290 nan 0.000 0.498 18 V N -0.062 119.933 119.914 0.135 0.000 3.007 18 V HA 0.874 4.958 4.120 -0.060 0.000 0.311 18 V C 0.110 176.248 176.094 0.074 0.000 1.120 18 V CA -0.086 62.274 62.300 0.101 0.000 0.980 18 V CB 2.351 34.243 31.823 0.115 0.000 1.033 18 V HN 1.090 nan 8.190 nan 0.000 0.429 19 S N 3.019 118.751 115.700 0.052 0.000 2.429 19 S HA 0.301 4.735 4.470 -0.060 0.000 0.302 19 S C 0.867 175.490 174.600 0.038 0.000 1.115 19 S CA 0.196 58.421 58.200 0.043 0.000 1.095 19 S CB 1.262 64.484 63.200 0.036 0.000 0.987 19 S HN 0.991 nan 8.310 nan 0.000 0.474 20 E N 3.101 123.319 120.200 0.030 0.000 2.160 20 E HA -0.180 4.134 4.350 -0.060 0.000 0.195 20 E C 1.603 178.217 176.600 0.023 0.000 0.991 20 E CA 1.953 58.360 56.400 0.012 0.000 0.810 20 E CB -0.171 29.531 29.700 0.003 0.000 0.742 20 E HN 0.894 nan 8.360 nan 0.000 0.466 21 T N -1.672 112.905 114.554 0.040 0.000 2.698 21 T HA -0.154 4.160 4.350 -0.060 0.000 0.260 21 T C 2.229 176.984 174.700 0.092 0.000 1.044 21 T CA 2.039 64.176 62.100 0.062 0.000 1.149 21 T CB -0.919 67.977 68.868 0.046 0.000 0.864 21 T HN 0.296 nan 8.240 nan 0.000 0.419 22 T N -0.615 113.980 114.554 0.068 0.000 2.735 22 T HA 0.466 4.780 4.350 -0.060 0.000 0.256 22 T C 1.514 176.263 174.700 0.081 0.000 1.042 22 T CA 0.958 63.097 62.100 0.065 0.000 1.147 22 T CB -1.061 67.830 68.868 0.038 0.000 0.865 22 T HN 1.443 nan 8.240 nan 0.000 0.421 23 G N 0.751 109.589 108.800 0.063 0.000 2.483 23 G HA2 0.016 3.940 3.960 -0.060 0.000 0.521 23 G HA3 0.016 3.940 3.960 -0.060 0.000 0.521 23 G C -1.033 173.884 174.900 0.028 0.000 1.278 23 G CA -0.517 44.617 45.100 0.056 0.000 0.965 23 G HN 0.654 nan 8.290 nan 0.000 0.504 24 L N 1.792 123.021 121.223 0.011 0.000 2.410 24 L HA 0.360 4.664 4.340 -0.060 0.000 0.273 24 L C 1.750 178.604 176.870 -0.026 0.000 1.152 24 L CA 0.223 55.050 54.840 -0.022 0.000 0.855 24 L CB 0.750 42.780 42.059 -0.048 0.000 1.129 24 L HN 0.970 nan 8.230 nan 0.000 0.463 25 T N 0.851 115.382 114.554 -0.039 0.000 2.930 25 T HA 0.118 4.432 4.350 -0.060 0.000 0.306 25 T C -1.450 173.221 174.700 -0.048 0.000 1.045 25 T CA -1.509 60.570 62.100 -0.035 0.000 1.134 25 T CB 0.868 69.716 68.868 -0.034 0.000 0.961 25 T HN 0.469 nan 8.240 nan 0.000 0.545 26 P HA -0.128 nan 4.420 nan 0.000 0.224 26 P C 0.774 178.051 177.300 -0.038 0.000 1.142 26 P CA 1.174 64.256 63.100 -0.031 0.000 0.778 26 P CB 0.085 31.774 31.700 -0.019 0.000 0.764 27 D N 0.038 120.410 120.400 -0.046 0.000 2.110 27 D HA -0.153 4.451 4.640 -0.060 0.000 0.202 27 D C 2.156 178.406 176.300 -0.083 0.000 0.975 27 D CA 1.021 54.991 54.000 -0.049 0.000 0.839 27 D CB -0.404 40.371 40.800 -0.042 0.000 0.996 27 D HN 0.046 nan 8.370 nan 0.000 0.464 28 Q N -0.157 119.562 119.800 -0.134 0.000 2.135 28 Q HA -0.110 4.194 4.340 -0.060 0.000 0.204 28 Q C 2.398 178.210 176.000 -0.314 0.000 0.981 28 Q CA 1.357 56.986 55.803 -0.290 0.000 0.856 28 Q CB 0.041 28.566 28.738 -0.354 0.000 0.902 28 Q HN 0.275 nan 8.270 nan 0.000 0.425 29 V N 1.189 121.006 119.914 -0.163 0.000 2.568 29 V HA -0.283 3.801 4.120 -0.060 0.000 0.253 29 V C 1.899 177.977 176.094 -0.025 0.000 1.072 29 V CA 1.776 64.034 62.300 -0.069 0.000 1.084 29 V CB -0.509 31.292 31.823 -0.037 0.000 0.676 29 V HN 0.292 nan 8.190 nan 0.000 0.469 30 K N 0.268 120.647 120.400 -0.035 0.000 1.980 30 K HA -0.062 4.222 4.320 -0.060 0.000 0.208 30 K C 2.425 179.030 176.600 0.008 0.000 1.043 30 K CA 1.285 57.565 56.287 -0.012 0.000 0.938 30 K CB -0.277 32.215 32.500 -0.013 0.000 0.724 30 K HN 0.359 nan 8.250 nan 0.000 0.438 31 R N 0.183 120.686 120.500 0.004 0.000 2.091 31 R HA -0.135 4.170 4.340 -0.060 0.000 0.238 31 R C 2.254 178.613 176.300 0.097 0.000 1.136 31 R CA 1.531 57.651 56.100 0.033 0.000 0.959 31 R CB -0.604 29.719 30.300 0.039 0.000 0.856 31 R HN 0.443 nan 8.270 nan 0.000 0.437 32 H N 0.615 119.675 119.070 -0.017 0.000 2.312 32 H HA -0.130 4.390 4.556 -0.060 0.000 0.299 32 H C 2.302 177.611 175.328 -0.032 0.000 1.051 32 H CA 1.256 57.305 56.048 0.001 0.000 1.227 32 H CB -0.258 29.587 29.762 0.139 0.000 1.389 32 H HN 0.058 nan 8.280 nan 0.000 0.524 33 L N 0.978 122.290 121.223 0.149 0.000 2.288 33 L HA -0.319 3.985 4.340 -0.060 0.000 0.218 33 L C 2.063 178.918 176.870 -0.024 0.000 1.088 33 L CA 1.435 56.275 54.840 0.000 0.000 0.786 33 L CB -0.086 41.913 42.059 -0.100 0.000 0.889 33 L HN 0.324 nan 8.230 nan 0.000 0.441 34 E N -0.478 119.714 120.200 -0.014 0.000 2.076 34 E HA -0.195 4.120 4.350 -0.060 0.000 0.190 34 E C 2.074 178.622 176.600 -0.087 0.000 0.979 34 E CA 1.102 57.484 56.400 -0.030 0.000 0.807 34 E CB -0.026 29.660 29.700 -0.022 0.000 0.761 34 E HN 0.371 nan 8.360 nan 0.000 0.454 35 K N -1.006 119.272 120.400 -0.203 0.000 2.057 35 K HA -0.123 4.161 4.320 -0.060 0.000 0.206 35 K C 1.016 177.363 176.600 -0.421 0.000 1.050 35 K CA 1.243 57.273 56.287 -0.430 0.000 0.935 35 K CB 0.006 32.010 32.500 -0.827 0.000 0.715 35 K HN 0.160 nan 8.250 nan 0.000 0.439 36 Y N -0.750 119.555 120.300 0.007 0.000 2.442 36 Y HA 0.312 4.827 4.550 -0.060 0.000 0.250 36 Y C 1.006 176.918 175.900 0.019 0.000 1.113 36 Y CA 0.087 58.192 58.100 0.010 0.000 1.273 36 Y CB 0.614 39.074 38.460 0.001 0.000 1.138 36 Y HN 0.241 nan 8.280 nan 0.000 0.522 37 G N 0.395 109.261 108.800 0.110 0.000 2.750 37 G HA2 -0.227 3.697 3.960 -0.060 0.000 0.228 37 G HA3 -0.227 3.697 3.960 -0.060 0.000 0.228 37 G C -0.602 174.333 174.900 0.058 0.000 1.367 37 G CA -0.508 44.656 45.100 0.107 0.000 0.871 37 G HN 0.375 nan 8.290 nan 0.000 0.560 38 H N 0.205 119.321 119.070 0.077 0.000 2.505 38 H HA 0.298 4.819 4.556 -0.060 0.000 0.355 38 H C 0.696 176.060 175.328 0.060 0.000 1.179 38 H CA -0.026 56.062 56.048 0.066 0.000 1.343 38 H CB 1.201 30.992 29.762 0.049 0.000 1.501 38 H HN 0.444 nan 8.280 nan 0.000 0.569 39 N N 2.211 121.005 118.700 0.156 0.000 3.245 39 N HA -0.033 4.671 4.740 -0.060 0.000 0.296 39 N C -0.763 174.807 175.510 0.099 0.000 1.254 39 N CA -0.169 52.941 53.050 0.100 0.000 1.190 39 N CB -0.237 38.290 38.487 0.066 0.000 1.460 39 N HN 0.615 nan 8.380 nan 0.000 0.538 40 E N -0.048 120.214 120.200 0.103 0.000 2.429 40 E HA 0.351 4.665 4.350 -0.060 0.000 0.276 40 E C -1.302 175.333 176.600 0.060 0.000 0.953 40 E CA -0.972 55.472 56.400 0.074 0.000 0.787 40 E CB 0.781 30.520 29.700 0.066 0.000 1.307 40 E HN -0.061 nan 8.360 nan 0.000 0.458 41 L N 1.834 123.083 121.223 0.044 0.000 2.357 41 L HA 0.397 4.702 4.340 -0.060 0.000 0.273 41 L C -2.140 174.746 176.870 0.027 0.000 1.080 41 L CA -1.893 52.968 54.840 0.035 0.000 0.803 41 L CB 0.288 42.365 42.059 0.029 0.000 1.174 41 L HN 0.509 nan 8.230 nan 0.000 0.443 42 P HA 0.054 nan 4.420 nan 0.000 0.266 42 P C -0.853 176.451 177.300 0.008 0.000 1.193 42 P CA -0.339 62.770 63.100 0.016 0.000 0.770 42 P CB 0.355 32.063 31.700 0.014 0.000 0.836 43 A N 2.908 125.729 122.820 0.002 0.000 2.445 43 A HA 0.174 4.458 4.320 -0.060 0.000 0.242 43 A C 0.487 178.068 177.584 -0.004 0.000 1.075 43 A CA -0.369 51.666 52.037 -0.003 0.000 0.777 43 A CB -0.507 18.489 19.000 -0.007 0.000 1.013 43 A HN 0.652 nan 8.150 nan 0.000 0.493 44 E N 1.072 121.268 120.200 -0.006 0.000 2.604 44 E HA -0.005 4.310 4.350 -0.060 0.000 0.267 44 E C 0.355 176.947 176.600 -0.014 0.000 0.970 44 E CA 0.902 57.295 56.400 -0.011 0.000 0.956 44 E CB 0.213 29.906 29.700 -0.013 0.000 0.939 44 E HN 0.667 nan 8.360 nan 0.000 0.465 45 E N 2.442 122.631 120.200 -0.019 0.000 2.268 45 E HA 0.072 4.386 4.350 -0.060 0.000 0.195 45 E C 0.871 177.452 176.600 -0.032 0.000 0.995 45 E CA 0.595 56.982 56.400 -0.022 0.000 0.836 45 E CB -0.232 29.454 29.700 -0.023 0.000 0.763 45 E HN 0.872 nan 8.360 nan 0.000 0.491 46 G N 0.315 109.091 108.800 -0.039 0.000 2.629 46 G HA2 0.187 4.111 3.960 -0.060 0.000 0.686 46 G HA3 0.187 4.111 3.960 -0.060 0.000 0.686 46 G C -0.689 174.160 174.900 -0.085 0.000 1.232 46 G CA -0.465 44.600 45.100 -0.057 0.000 0.803 46 G HN 0.452 nan 8.290 nan 0.000 0.638 47 K N -1.359 118.967 120.400 -0.123 0.000 2.152 47 K HA 0.980 5.264 4.320 -0.060 0.000 0.257 47 K C -0.017 176.380 176.600 -0.337 0.000 0.961 47 K CA -0.080 56.100 56.287 -0.178 0.000 0.816 47 K CB 0.896 33.319 32.500 -0.128 0.000 1.501 47 K HN 2.520 nan 8.250 nan 0.000 0.417 48 S N -1.064 114.374 115.700 -0.436 0.000 2.779 48 S HA 0.167 4.601 4.470 -0.060 0.000 0.311 48 S C -0.234 173.973 174.600 -0.654 0.000 0.807 48 S CA -0.449 57.223 58.200 -0.881 0.000 0.761 48 S CB -0.784 61.344 63.200 -1.788 0.000 0.974 48 S HN 0.933 nan 8.310 nan 0.000 0.518 49 L N 0.489 121.564 121.223 -0.247 0.000 2.633 49 L HA 0.289 4.594 4.340 -0.060 0.000 0.235 49 L C 1.617 178.654 176.870 0.278 0.000 1.163 49 L CA 0.706 55.627 54.840 0.134 0.000 0.859 49 L CB -1.658 40.588 42.059 0.311 0.000 0.973 49 L HN 0.839 nan 8.230 nan 0.000 0.451 50 W N -1.157 120.172 121.300 0.048 0.000 2.574 50 W HA 0.278 4.902 4.660 -0.060 0.000 0.282 50 W C 1.932 178.479 176.519 0.048 0.000 1.197 50 W CA -0.092 57.277 57.345 0.040 0.000 1.376 50 W CB -0.415 29.059 29.460 0.023 0.000 1.091 50 W HN -0.046 nan 8.180 nan 0.000 0.569 51 E N 1.297 121.425 120.200 -0.120 0.000 2.427 51 E HA 0.012 4.326 4.350 -0.060 0.000 0.196 51 E C 2.054 178.629 176.600 -0.042 0.000 1.028 51 E CA 0.679 57.033 56.400 -0.077 0.000 0.864 51 E CB -0.233 29.362 29.700 -0.174 0.000 0.813 51 E HN 0.344 nan 8.360 nan 0.000 0.514 52 L N -0.815 120.377 121.223 -0.053 0.000 2.131 52 L HA -0.096 4.209 4.340 -0.060 0.000 0.206 52 L C 1.955 178.849 176.870 0.038 0.000 1.087 52 L CA 0.576 55.408 54.840 -0.014 0.000 0.767 52 L CB -0.082 41.971 42.059 -0.011 0.000 0.917 52 L HN 0.095 nan 8.230 nan 0.000 0.441 53 V N -0.156 119.814 119.914 0.093 0.000 2.453 53 V HA -0.224 3.861 4.120 -0.060 0.000 0.247 53 V C 2.327 178.554 176.094 0.221 0.000 1.048 53 V CA 1.021 63.401 62.300 0.134 0.000 1.049 53 V CB -0.180 31.761 31.823 0.198 0.000 0.672 53 V HN 0.269 nan 8.190 nan 0.000 0.457 54 I N 0.089 120.782 120.570 0.205 0.000 2.493 54 I HA -0.162 3.972 4.170 -0.060 0.000 0.254 54 I C 2.399 178.612 176.117 0.160 0.000 1.160 54 I CA 1.291 62.718 61.300 0.212 0.000 1.445 54 I CB -1.199 36.875 38.000 0.123 0.000 1.086 54 I HN 0.462 nan 8.210 nan 0.000 0.433 55 E N 0.099 120.351 120.200 0.086 0.000 2.208 55 E HA -0.164 4.150 4.350 -0.060 0.000 0.193 55 E C 2.008 178.627 176.600 0.031 0.000 0.988 55 E CA 0.506 56.933 56.400 0.045 0.000 0.828 55 E CB 0.098 29.804 29.700 0.010 0.000 0.763 55 E HN 0.526 nan 8.360 nan 0.000 0.478 56 Q N -0.552 119.249 119.800 0.003 0.000 2.245 56 Q HA -0.050 4.254 4.340 -0.060 0.000 0.201 56 Q C 1.569 177.491 176.000 -0.129 0.000 0.955 56 Q CA 0.732 56.474 55.803 -0.101 0.000 0.870 56 Q CB 0.086 28.698 28.738 -0.209 0.000 0.945 56 Q HN 0.305 nan 8.270 nan 0.000 0.461 57 F N 0.907 120.858 119.950 0.002 0.000 2.615 57 F HA -0.015 4.477 4.527 -0.060 0.000 0.297 57 F C 2.138 177.933 175.800 -0.008 0.000 1.124 57 F CA 0.555 58.552 58.000 -0.005 0.000 1.451 57 F CB 0.145 39.139 39.000 -0.010 0.000 1.103 57 F HN 0.104 nan 8.300 nan 0.000 0.569 58 E N 0.065 120.354 120.200 0.148 0.000 2.478 58 E HA -0.127 4.187 4.350 -0.060 0.000 0.198 58 E C 0.497 177.129 176.600 0.052 0.000 1.046 58 E CA -0.052 56.398 56.400 0.084 0.000 0.870 58 E CB -0.016 29.718 29.700 0.056 0.000 0.818 58 E HN 0.138 nan 8.360 nan 0.000 0.527 59 D N -0.141 120.284 120.400 0.041 0.000 2.382 59 D HA -0.043 4.561 4.640 -0.060 0.000 0.240 59 D C 1.449 177.764 176.300 0.024 0.000 1.146 59 D CA 0.055 54.067 54.000 0.020 0.000 0.897 59 D CB 1.053 41.852 40.800 -0.002 0.000 1.197 59 D HN 0.101 nan 8.370 nan 0.000 0.432 60 L N 2.320 123.551 121.223 0.014 0.000 1.994 60 L HA -0.226 4.078 4.340 -0.060 0.000 0.208 60 L C 2.299 179.173 176.870 0.007 0.000 1.071 60 L CA 0.644 55.488 54.840 0.007 0.000 0.745 60 L CB -0.410 41.645 42.059 -0.005 0.000 0.892 60 L HN 0.403 nan 8.230 nan 0.000 0.431 61 L N -0.414 120.813 121.223 0.006 0.000 2.056 61 L HA -0.131 4.174 4.340 -0.060 0.000 0.207 61 L C 2.331 179.214 176.870 0.022 0.000 1.078 61 L CA 1.381 56.225 54.840 0.007 0.000 0.749 61 L CB -0.780 41.286 42.059 0.013 0.000 0.901 61 L HN 0.039 nan 8.230 nan 0.000 0.433 62 V N -1.459 118.471 119.914 0.027 0.000 3.305 62 V HA -0.121 3.963 4.120 -0.060 0.000 0.269 62 V C 2.429 178.591 176.094 0.113 0.000 1.157 62 V CA 0.786 63.119 62.300 0.056 0.000 1.157 62 V CB -0.850 30.971 31.823 -0.003 0.000 0.772 62 V HN 0.366 nan 8.190 nan 0.000 0.498 63 R N -0.346 120.197 120.500 0.070 0.000 2.127 63 R HA 0.090 4.394 4.340 -0.060 0.000 0.217 63 R C 2.117 178.433 176.300 0.027 0.000 1.074 63 R CA 0.801 56.934 56.100 0.054 0.000 0.991 63 R CB -0.008 30.311 30.300 0.031 0.000 0.895 63 R HN 0.343 nan 8.270 nan 0.000 0.450 64 I N 0.838 121.419 120.570 0.018 0.000 2.235 64 I HA -0.194 3.941 4.170 -0.060 0.000 0.241 64 I C 2.177 178.300 176.117 0.009 0.000 1.085 64 I CA 1.295 62.595 61.300 0.001 0.000 1.378 64 I CB -0.881 37.114 38.000 -0.009 0.000 1.076 64 I HN 0.201 nan 8.210 nan 0.000 0.415 65 L N 0.010 121.249 121.223 0.027 0.000 2.265 65 L HA -0.195 4.109 4.340 -0.060 0.000 0.215 65 L C 2.409 179.303 176.870 0.040 0.000 1.117 65 L CA 0.791 55.653 54.840 0.037 0.000 0.782 65 L CB -0.342 41.746 42.059 0.048 0.000 0.914 65 L HN 0.249 nan 8.230 nan 0.000 0.441 66 L N -0.741 120.508 121.223 0.043 0.000 2.270 66 L HA -0.087 4.217 4.340 -0.060 0.000 0.210 66 L C 2.068 178.925 176.870 -0.021 0.000 1.104 66 L CA 1.129 55.977 54.840 0.014 0.000 0.804 66 L CB -0.180 41.893 42.059 0.024 0.000 0.937 66 L HN 0.101 nan 8.230 nan 0.000 0.450 67 L N -0.327 120.886 121.223 -0.015 0.000 2.109 67 L HA 0.018 4.323 4.340 -0.060 0.000 0.207 67 L C 2.416 179.271 176.870 -0.025 0.000 1.086 67 L CA 1.871 56.692 54.840 -0.032 0.000 0.760 67 L CB -0.751 41.284 42.059 -0.041 0.000 0.910 67 L HN 0.195 nan 8.230 nan 0.000 0.437 68 A N -0.553 122.262 122.820 -0.009 0.000 2.015 68 A HA -0.015 4.269 4.320 -0.060 0.000 0.219 68 A C 2.375 179.987 177.584 0.046 0.000 1.163 68 A CA 1.400 53.443 52.037 0.011 0.000 0.646 68 A CB -0.921 18.090 19.000 0.019 0.000 0.806 68 A HN 0.548 nan 8.150 nan 0.000 0.448 69 A N -1.151 121.689 122.820 0.035 0.000 2.014 69 A HA -0.048 4.236 4.320 -0.060 0.000 0.218 69 A C 2.176 179.798 177.584 0.063 0.000 1.163 69 A CA 1.403 53.472 52.037 0.053 0.000 0.652 69 A CB -0.991 18.004 19.000 -0.008 0.000 0.808 69 A HN 0.601 nan 8.150 nan 0.000 0.449 70 C N -0.377 118.927 119.300 0.007 0.000 2.466 70 C HA -0.005 4.419 4.460 -0.060 0.000 0.278 70 C C 2.420 177.477 174.990 0.113 0.000 1.288 70 C CA 0.476 59.496 59.018 0.004 0.000 1.722 70 C CB -0.960 26.762 27.740 -0.030 0.000 2.017 70 C HN 0.562 nan 8.230 nan 0.000 0.488 71 I N 1.079 121.707 120.570 0.097 0.000 2.353 71 I HA -0.095 4.039 4.170 -0.060 0.000 0.248 71 I C 2.648 178.896 176.117 0.218 0.000 1.119 71 I CA 1.345 62.734 61.300 0.147 0.000 1.417 71 I CB -1.701 36.319 38.000 0.034 0.000 1.078 71 I HN 0.275 nan 8.210 nan 0.000 0.421 72 S N 0.280 116.096 115.700 0.194 0.000 2.440 72 S HA -0.148 4.286 4.470 -0.060 0.000 0.238 72 S C 1.955 176.687 174.600 0.219 0.000 1.010 72 S CA 1.349 59.672 58.200 0.207 0.000 0.972 72 S CB -0.239 63.067 63.200 0.177 0.000 0.774 72 S HN 0.341 nan 8.310 nan 0.000 0.501 73 F N -0.147 119.832 119.950 0.049 0.000 2.220 73 F HA 0.207 4.698 4.527 -0.060 0.000 0.290 73 F C 2.046 177.940 175.800 0.157 0.000 1.080 73 F CA 0.597 58.598 58.000 0.002 0.000 1.318 73 F CB -0.157 38.768 39.000 -0.125 0.000 1.063 73 F HN 0.047 nan 8.300 nan 0.000 0.498 74 V N 1.018 121.134 119.914 0.336 0.000 3.541 74 V HA -0.092 3.992 4.120 -0.060 0.000 0.272 74 V C 1.318 177.579 176.094 0.277 0.000 1.215 74 V CA 1.015 63.490 62.300 0.291 0.000 1.176 74 V CB -0.649 31.343 31.823 0.280 0.000 0.854 74 V HN 0.294 nan 8.190 nan 0.000 0.496 75 L N -0.942 120.448 121.223 0.279 0.000 2.286 75 L HA 0.228 4.532 4.340 -0.060 0.000 0.203 75 L C 2.472 179.478 176.870 0.226 0.000 1.068 75 L CA 0.980 55.967 54.840 0.245 0.000 0.811 75 L CB -0.585 41.620 42.059 0.244 0.000 0.989 75 L HN 0.401 nan 8.230 nan 0.000 0.467 76 A N 0.556 123.509 122.820 0.221 0.000 1.889 76 A HA -0.040 4.244 4.320 -0.060 0.000 0.209 76 A C 0.859 178.694 177.584 0.418 0.000 1.315 76 A CA 1.760 53.894 52.037 0.161 0.000 0.611 76 A CB -0.558 18.099 19.000 -0.571 0.000 0.950 76 A HN 0.538 nan 8.150 nan 0.000 0.477 77 W N -5.071 116.288 121.300 0.098 0.000 3.273 77 W HA 0.588 5.212 4.660 -0.060 0.000 0.395 77 W C 0.259 176.959 176.519 0.301 0.000 1.503 77 W CA -0.247 57.188 57.345 0.151 0.000 1.456 77 W CB -0.038 29.468 29.460 0.077 0.000 1.402 77 W HN 0.324 nan 8.180 nan 0.000 0.646 78 F N 1.430 121.585 119.950 0.341 0.000 2.935 78 F HA 0.480 4.971 4.527 -0.060 0.000 0.167 78 F C 0.551 176.447 175.800 0.160 0.000 1.379 78 F CA -0.284 57.848 58.000 0.220 0.000 0.910 78 F CB 0.396 39.537 39.000 0.235 0.000 2.105 78 F HN 0.469 nan 8.300 nan 0.000 0.514 79 E N 0.513 120.447 120.200 -0.444 0.000 2.405 79 E HA 0.291 4.606 4.350 -0.060 0.000 0.249 79 E C -1.205 175.375 176.600 -0.034 0.000 1.028 79 E CA -0.863 55.321 56.400 -0.359 0.000 0.897 79 E CB 0.411 29.715 29.700 -0.660 0.000 1.262 79 E HN 0.210 nan 8.360 nan 0.000 0.442 80 E N -1.049 119.140 120.200 -0.019 0.000 2.458 80 E HA 0.327 4.641 4.350 -0.060 0.000 0.264 80 E C 0.013 176.671 176.600 0.096 0.000 1.097 80 E CA 1.240 57.683 56.400 0.073 0.000 0.973 80 E CB 0.769 30.489 29.700 0.033 0.000 0.963 80 E HN 0.660 nan 8.360 nan 0.000 0.451 81 G N 2.444 111.307 108.800 0.105 0.000 3.409 81 G HA2 0.175 4.099 3.960 -0.060 0.000 0.168 81 G HA3 0.175 4.099 3.960 -0.060 0.000 0.168 81 G C -0.300 174.625 174.900 0.041 0.000 1.403 81 G CA 0.378 45.517 45.100 0.066 0.000 1.195 81 G HN 0.580 nan 8.290 nan 0.000 0.751 82 E N -0.747 119.469 120.200 0.026 0.000 4.087 82 E HA 0.605 4.919 4.350 -0.060 0.000 0.195 82 E C -1.065 175.547 176.600 0.021 0.000 0.963 82 E CA -0.578 55.830 56.400 0.014 0.000 1.167 82 E CB 0.792 30.487 29.700 -0.008 0.000 1.838 82 E HN 0.142 nan 8.360 nan 0.000 0.390 83 E N 0.400 120.599 120.200 -0.002 0.000 2.224 83 E HA 0.243 4.557 4.350 -0.060 0.000 0.265 83 E C -1.255 175.329 176.600 -0.027 0.000 0.878 83 E CA -0.403 55.998 56.400 0.002 0.000 0.759 83 E CB 2.019 31.720 29.700 0.002 0.000 1.164 83 E HN 0.444 nan 8.360 nan 0.000 0.414 84 T N 3.638 118.176 114.554 -0.026 0.000 3.316 84 T HA 0.197 4.511 4.350 -0.060 0.000 0.253 84 T C 1.412 176.109 174.700 -0.005 0.000 0.995 84 T CA -0.261 61.815 62.100 -0.039 0.000 1.031 84 T CB -0.775 68.037 68.868 -0.094 0.000 1.125 84 T HN 0.417 nan 8.240 nan 0.000 0.539 85 I N 1.537 122.108 120.570 0.002 0.000 3.128 85 I HA -0.439 3.695 4.170 -0.060 0.000 0.208 85 I C 2.713 178.829 176.117 -0.002 0.000 0.807 85 I CA 2.658 63.958 61.300 0.001 0.000 1.159 85 I CB -1.955 36.037 38.000 -0.012 0.000 0.912 85 I HN 0.558 nan 8.210 nan 0.000 0.348 86 T N -0.961 113.587 114.554 -0.010 0.000 2.751 86 T HA -0.284 4.030 4.350 -0.060 0.000 0.268 86 T C 1.725 176.418 174.700 -0.013 0.000 1.045 86 T CA 1.824 63.914 62.100 -0.017 0.000 1.142 86 T CB -1.041 67.817 68.868 -0.018 0.000 0.851 86 T HN 0.650 nan 8.240 nan 0.000 0.474 87 A N 1.417 124.240 122.820 0.004 0.000 1.823 87 A HA 0.285 4.570 4.320 -0.060 0.000 0.214 87 A C 1.327 178.910 177.584 -0.001 0.000 1.225 87 A CA 0.323 52.354 52.037 -0.010 0.000 0.604 87 A CB -1.006 18.007 19.000 0.022 0.000 0.878 87 A HN 0.549 nan 8.150 nan 0.000 0.450 88 F N 0.930 120.812 119.950 -0.113 0.000 2.685 88 F HA 0.163 4.654 4.527 -0.060 0.000 0.349 88 F C 0.969 176.692 175.800 -0.129 0.000 1.294 88 F CA -0.723 57.157 58.000 -0.200 0.000 1.201 88 F CB 0.448 39.233 39.000 -0.359 0.000 1.615 88 F HN -0.005 nan 8.300 nan 0.000 0.674 89 V N 1.451 121.473 119.914 0.180 0.000 2.806 89 V HA -0.124 3.960 4.120 -0.060 0.000 0.239 89 V C 2.170 178.367 176.094 0.173 0.000 1.113 89 V CA 0.777 63.153 62.300 0.128 0.000 1.137 89 V CB -0.129 31.716 31.823 0.035 0.000 0.865 89 V HN 0.528 nan 8.190 nan 0.000 0.482 90 E N 1.994 122.292 120.200 0.164 0.000 2.171 90 E HA -0.217 4.097 4.350 -0.060 0.000 0.197 90 E C -0.623 176.071 176.600 0.156 0.000 0.997 90 E CA 1.997 58.488 56.400 0.152 0.000 0.810 90 E CB -1.841 27.948 29.700 0.148 0.000 0.738 90 E HN 0.559 nan 8.360 nan 0.000 0.467 91 P HA 0.062 nan 4.420 nan 0.000 0.234 91 P C 1.225 178.639 177.300 0.190 0.000 1.175 91 P CA 0.472 63.672 63.100 0.167 0.000 0.801 91 P CB -0.218 31.514 31.700 0.054 0.000 0.891 92 F N -0.447 119.532 119.950 0.048 0.000 2.569 92 F HA -0.016 4.475 4.527 -0.060 0.000 0.295 92 F C 2.243 178.075 175.800 0.054 0.000 1.115 92 F CA 0.567 58.600 58.000 0.054 0.000 1.450 92 F CB -0.050 38.970 39.000 0.033 0.000 1.107 92 F HN -0.318 nan 8.300 nan 0.000 0.563 93 V N 0.085 120.123 119.914 0.207 0.000 2.488 93 V HA -0.234 3.850 4.120 -0.060 0.000 0.246 93 V C 2.140 178.299 176.094 0.107 0.000 1.046 93 V CA 1.383 63.772 62.300 0.148 0.000 1.053 93 V CB -0.288 31.616 31.823 0.134 0.000 0.679 93 V HN 0.237 nan 8.190 nan 0.000 0.458 94 I N -0.338 120.288 120.570 0.094 0.000 2.202 94 I HA -0.249 3.885 4.170 -0.060 0.000 0.242 94 I C 2.388 178.533 176.117 0.046 0.000 1.091 94 I CA 1.654 62.996 61.300 0.071 0.000 1.368 94 I CB -0.294 37.748 38.000 0.070 0.000 1.058 94 I HN 0.276 nan 8.210 nan 0.000 0.410 95 L N 0.606 121.826 121.223 -0.004 0.000 2.131 95 L HA -0.202 4.102 4.340 -0.060 0.000 0.210 95 L C 2.431 179.286 176.870 -0.026 0.000 1.092 95 L CA 1.114 55.917 54.840 -0.062 0.000 0.759 95 L CB -0.064 41.857 42.059 -0.229 0.000 0.903 95 L HN 0.238 nan 8.230 nan 0.000 0.435 96 L N -0.618 120.608 121.223 0.005 0.000 1.994 96 L HA -0.244 4.060 4.340 -0.060 0.000 0.208 96 L C 2.404 179.308 176.870 0.056 0.000 1.071 96 L CA 1.639 56.505 54.840 0.043 0.000 0.745 96 L CB -0.191 41.918 42.059 0.084 0.000 0.892 96 L HN 0.192 nan 8.230 nan 0.000 0.431 97 I N -0.334 120.274 120.570 0.063 0.000 2.163 97 I HA -0.357 3.777 4.170 -0.060 0.000 0.243 97 I C 2.451 178.599 176.117 0.051 0.000 1.085 97 I CA 1.361 62.695 61.300 0.057 0.000 1.347 97 I CB -0.270 37.767 38.000 0.061 0.000 1.044 97 I HN 0.315 nan 8.210 nan 0.000 0.408 98 L N 0.256 121.524 121.223 0.075 0.000 2.012 98 L HA -0.265 4.039 4.340 -0.060 0.000 0.210 98 L C 2.575 179.501 176.870 0.093 0.000 1.073 98 L CA 1.704 56.601 54.840 0.096 0.000 0.748 98 L CB -0.575 41.635 42.059 0.253 0.000 0.891 98 L HN 0.267 nan 8.230 nan 0.000 0.431 99 I N 0.082 120.750 120.570 0.164 0.000 2.208 99 I HA -0.268 3.866 4.170 -0.060 0.000 0.245 99 I C 2.471 178.623 176.117 0.058 0.000 1.097 99 I CA 1.289 62.678 61.300 0.150 0.000 1.363 99 I CB -0.293 37.774 38.000 0.111 0.000 1.051 99 I HN 0.214 nan 8.210 nan 0.000 0.413 100 A N -0.185 122.661 122.820 0.043 0.000 2.235 100 A HA -0.061 4.223 4.320 -0.060 0.000 0.208 100 A C 1.685 179.274 177.584 0.008 0.000 1.172 100 A CA 0.989 53.042 52.037 0.026 0.000 0.786 100 A CB -0.429 18.592 19.000 0.034 0.000 0.804 100 A HN 0.376 nan 8.150 nan 0.000 0.479 101 N N -0.489 118.201 118.700 -0.017 0.000 2.482 101 N HA 0.178 4.882 4.740 -0.060 0.000 0.179 101 N C 1.835 177.288 175.510 -0.094 0.000 1.039 101 N CA 1.036 54.058 53.050 -0.046 0.000 0.884 101 N CB -0.214 38.242 38.487 -0.052 0.000 1.113 101 N HN 0.286 nan 8.380 nan 0.000 0.440 102 A N 1.332 124.050 122.820 -0.170 0.000 1.865 102 A HA -0.084 4.200 4.320 -0.060 0.000 0.217 102 A C 2.141 179.684 177.584 -0.069 0.000 1.191 102 A CA 0.989 52.893 52.037 -0.222 0.000 0.623 102 A CB -0.884 17.896 19.000 -0.368 0.000 0.826 102 A HN 0.249 nan 8.150 nan 0.000 0.444 103 I N -0.222 120.339 120.570 -0.015 0.000 2.315 103 I HA -0.234 3.900 4.170 -0.060 0.000 0.251 103 I C 2.065 178.214 176.117 0.054 0.000 1.125 103 I CA 1.301 62.621 61.300 0.033 0.000 1.392 103 I CB -0.077 37.940 38.000 0.027 0.000 1.065 103 I HN 0.169 nan 8.210 nan 0.000 0.424 104 V N 0.377 120.307 119.914 0.027 0.000 3.217 104 V HA -0.048 4.037 4.120 -0.060 0.000 0.264 104 V C 1.955 178.068 176.094 0.032 0.000 1.135 104 V CA 1.415 63.738 62.300 0.038 0.000 1.142 104 V CB -0.202 31.634 31.823 0.021 0.000 0.754 104 V HN 0.539 nan 8.190 nan 0.000 0.484 105 G N -1.132 107.675 108.800 0.012 0.000 3.327 105 G HA2 0.286 4.210 3.960 -0.060 0.000 0.240 105 G HA3 0.286 4.210 3.960 -0.060 0.000 0.240 105 G C 0.671 175.589 174.900 0.030 0.000 1.222 105 G CA 0.753 45.856 45.100 0.005 0.000 0.871 105 G HN 0.344 nan 8.290 nan 0.000 0.525 106 V N -2.250 117.709 119.914 0.076 0.000 4.763 106 V HA 0.257 4.341 4.120 -0.060 0.000 0.146 106 V C 1.148 177.345 176.094 0.172 0.000 1.198 106 V CA -0.153 62.222 62.300 0.125 0.000 1.220 106 V CB -0.320 31.610 31.823 0.179 0.000 1.571 106 V HN 0.328 nan 8.190 nan 0.000 0.595 107 W N 1.488 122.792 121.300 0.007 0.000 3.204 107 W HA 0.240 4.864 4.660 -0.060 0.000 0.249 107 W C 1.621 178.143 176.519 0.006 0.000 1.322 107 W CA 0.774 58.125 57.345 0.011 0.000 1.593 107 W CB 0.152 29.625 29.460 0.021 0.000 1.122 107 W HN 0.364 nan 8.180 nan 0.000 0.710 108 Q N -0.536 119.342 119.800 0.130 0.000 2.055 108 Q HA 0.055 4.359 4.340 -0.060 0.000 0.226 108 Q C 0.162 176.172 176.000 0.016 0.000 0.805 108 Q CA 0.076 55.906 55.803 0.045 0.000 1.072 108 Q CB 0.763 29.537 28.738 0.059 0.000 1.219 108 Q HN -0.035 nan 8.270 nan 0.000 0.451 109 E N 1.209 121.418 120.200 0.016 0.000 3.351 109 E HA 0.157 4.471 4.350 -0.060 0.000 0.220 109 E C -0.788 175.793 176.600 -0.032 0.000 1.150 109 E CA -0.486 55.912 56.400 -0.004 0.000 1.359 109 E CB 0.377 30.082 29.700 0.009 0.000 1.365 109 E HN 0.117 nan 8.360 nan 0.000 0.434 110 R N 1.402 121.863 120.500 -0.066 0.000 2.504 110 R HA -0.099 4.205 4.340 -0.060 0.000 0.302 110 R C 0.500 176.756 176.300 -0.074 0.000 0.893 110 R CA 0.633 56.671 56.100 -0.103 0.000 1.138 110 R CB -0.136 30.097 30.300 -0.111 0.000 0.880 110 R HN 0.186 nan 8.270 nan 0.000 0.415 111 N N 1.883 120.537 118.700 -0.078 0.000 2.451 111 N HA 0.155 4.859 4.740 -0.060 0.000 0.271 111 N C -0.346 175.128 175.510 -0.061 0.000 1.410 111 N CA 0.203 53.219 53.050 -0.056 0.000 0.884 111 N CB 1.471 39.935 38.487 -0.039 0.000 1.332 111 N HN 0.536 nan 8.380 nan 0.000 0.498 112 A N 1.211 123.986 122.820 -0.075 0.000 3.280 112 A HA 0.236 4.520 4.320 -0.060 0.000 0.203 112 A C 0.310 177.860 177.584 -0.057 0.000 2.143 112 A CA 0.246 52.238 52.037 -0.076 0.000 1.168 112 A CB -0.544 18.392 19.000 -0.107 0.000 1.267 112 A HN 0.249 nan 8.150 nan 0.000 0.436 113 E N 1.546 121.712 120.200 -0.057 0.000 2.392 113 E HA 0.360 4.674 4.350 -0.060 0.000 0.264 113 E C -0.590 175.988 176.600 -0.036 0.000 1.024 113 E CA 0.094 56.468 56.400 -0.042 0.000 0.903 113 E CB -0.307 29.369 29.700 -0.041 0.000 0.963 113 E HN 0.661 nan 8.360 nan 0.000 0.432 114 N N 0.363 119.047 118.700 -0.028 0.000 2.292 114 N HA 0.529 5.233 4.740 -0.060 0.000 0.303 114 N C 0.028 175.528 175.510 -0.016 0.000 1.140 114 N CA -0.843 52.193 53.050 -0.023 0.000 0.788 114 N CB 1.779 40.252 38.487 -0.023 0.000 1.361 114 N HN 0.456 nan 8.380 nan 0.000 0.489 115 A N 0.821 123.633 122.820 -0.014 0.000 2.131 115 A HA -0.084 4.201 4.320 -0.060 0.000 0.220 115 A C 1.602 179.185 177.584 -0.001 0.000 1.158 115 A CA 0.852 52.885 52.037 -0.006 0.000 0.665 115 A CB -0.885 18.110 19.000 -0.008 0.000 0.795 115 A HN 0.773 nan 8.150 nan 0.000 0.460 116 I N -0.919 119.647 120.570 -0.006 0.000 2.500 116 I HA -0.097 4.037 4.170 -0.060 0.000 0.252 116 I C 2.013 178.131 176.117 0.001 0.000 1.142 116 I CA 0.747 62.045 61.300 -0.003 0.000 1.451 116 I CB -0.249 37.747 38.000 -0.008 0.000 1.093 116 I HN 0.234 nan 8.210 nan 0.000 0.430 117 E N 1.105 121.302 120.200 -0.004 0.000 2.299 117 E HA -0.011 4.303 4.350 -0.060 0.000 0.193 117 E C 2.238 178.838 176.600 -0.001 0.000 0.998 117 E CA 0.835 57.232 56.400 -0.005 0.000 0.851 117 E CB 0.026 29.719 29.700 -0.013 0.000 0.795 117 E HN 0.402 nan 8.360 nan 0.000 0.492 118 A N 1.038 123.860 122.820 0.003 0.000 1.969 118 A HA -0.070 4.214 4.320 -0.060 0.000 0.218 118 A C 2.073 179.677 177.584 0.033 0.000 1.169 118 A CA 0.619 52.663 52.037 0.011 0.000 0.635 118 A CB -0.504 18.507 19.000 0.018 0.000 0.810 118 A HN 0.190 nan 8.150 nan 0.000 0.445 119 L N -1.045 120.201 121.223 0.039 0.000 2.711 119 L HA -0.000 4.304 4.340 -0.060 0.000 0.242 119 L C 0.801 177.704 176.870 0.055 0.000 1.153 119 L CA 0.700 55.577 54.840 0.062 0.000 0.898 119 L CB -0.270 41.815 42.059 0.042 0.000 1.044 119 L HN 0.291 nan 8.230 nan 0.000 0.437 120 K N 0.018 120.436 120.400 0.030 0.000 2.832 120 K HA 0.167 4.451 4.320 -0.060 0.000 0.211 120 K C 0.420 177.017 176.600 -0.006 0.000 1.112 120 K CA -0.010 56.288 56.287 0.019 0.000 1.108 120 K CB 0.467 32.972 32.500 0.009 0.000 0.899 120 K HN 0.203 nan 8.250 nan 0.000 0.464 121 E N -1.230 118.960 120.200 -0.017 0.000 2.603 121 E HA 0.070 4.384 4.350 -0.060 0.000 0.224 121 E C 0.087 176.560 176.600 -0.213 0.000 0.896 121 E CA 0.114 56.444 56.400 -0.118 0.000 1.224 121 E CB 0.588 30.193 29.700 -0.158 0.000 1.206 121 E HN 0.262 nan 8.360 nan 0.000 0.576 122 Y N 1.650 121.953 120.300 0.006 0.000 2.557 122 Y HA 0.137 4.651 4.550 -0.060 0.000 0.247 122 Y C 0.067 175.976 175.900 0.015 0.000 1.164 122 Y CA -0.439 57.667 58.100 0.010 0.000 1.218 122 Y CB 0.857 39.322 38.460 0.009 0.000 1.210 122 Y HN -0.029 nan 8.280 nan 0.000 0.529 123 E N 1.898 122.177 120.200 0.131 0.000 2.146 123 E HA 0.322 4.636 4.350 -0.060 0.000 0.282 123 E C -2.753 173.883 176.600 0.061 0.000 0.989 123 E CA -2.226 54.228 56.400 0.091 0.000 0.799 123 E CB 1.094 30.834 29.700 0.067 0.000 1.088 123 E HN -0.010 nan 8.360 nan 0.000 0.397 124 P HA 0.091 nan 4.420 nan 0.000 0.279 124 P C -0.124 177.196 177.300 0.034 0.000 1.276 124 P CA -0.369 62.758 63.100 0.045 0.000 0.801 124 P CB 1.466 33.197 31.700 0.053 0.000 1.127 125 E N -0.863 119.353 120.200 0.026 0.000 2.099 125 E HA 0.079 4.393 4.350 -0.060 0.000 0.191 125 E C 0.163 176.781 176.600 0.029 0.000 0.962 125 E CA 0.581 56.995 56.400 0.024 0.000 0.826 125 E CB 0.147 29.857 29.700 0.015 0.000 0.788 125 E HN 0.283 nan 8.360 nan 0.000 0.461 126 M N 0.402 120.019 119.600 0.028 0.000 2.456 126 M HA 0.487 4.931 4.480 -0.060 0.000 0.324 126 M C -0.047 176.272 176.300 0.030 0.000 1.124 126 M CA -0.528 54.789 55.300 0.028 0.000 0.959 126 M CB 1.531 34.145 32.600 0.024 0.000 1.692 126 M HN 0.109 nan 8.290 nan 0.000 0.444 127 G N 1.895 110.714 108.800 0.032 0.000 2.660 127 G HA2 0.725 4.649 3.960 -0.060 0.000 0.294 127 G HA3 0.725 4.649 3.960 -0.060 0.000 0.294 127 G C -1.536 173.387 174.900 0.039 0.000 1.369 127 G CA -0.726 44.392 45.100 0.031 0.000 0.912 127 G HN 0.550 nan 8.290 nan 0.000 0.479 128 K N 0.528 120.955 120.400 0.045 0.000 2.367 128 K HA 0.560 4.845 4.320 -0.060 0.000 0.263 128 K C -0.056 176.609 176.600 0.107 0.000 1.000 128 K CA -0.641 55.693 56.287 0.078 0.000 0.891 128 K CB 2.071 34.624 32.500 0.089 0.000 1.117 128 K HN 0.551 nan 8.250 nan 0.000 0.443 129 V N -0.404 119.593 119.914 0.138 0.000 3.019 129 V HA 0.548 4.632 4.120 -0.060 0.000 0.317 129 V C -1.027 175.291 176.094 0.374 0.000 1.094 129 V CA -0.859 61.544 62.300 0.172 0.000 1.000 129 V CB 1.213 33.086 31.823 0.082 0.000 1.060 129 V HN 0.705 nan 8.190 nan 0.000 0.443 130 Y N 1.484 121.774 120.300 -0.017 0.000 2.686 130 Y HA 0.591 5.105 4.550 -0.060 0.000 0.331 130 Y C 0.706 176.596 175.900 -0.017 0.000 0.996 130 Y CA -0.916 57.176 58.100 -0.014 0.000 1.293 130 Y CB 1.392 39.845 38.460 -0.013 0.000 1.092 130 Y HN 0.601 nan 8.280 nan 0.000 0.524 131 R N 0.609 121.165 120.500 0.093 0.000 2.553 131 R HA 0.536 4.840 4.340 -0.060 0.000 0.263 131 R C 0.903 177.215 176.300 0.020 0.000 1.066 131 R CA -0.036 56.091 56.100 0.044 0.000 1.135 131 R CB 0.869 31.180 30.300 0.018 0.000 1.148 131 R HN 0.702 nan 8.270 nan 0.000 0.558 132 A N 1.048 123.874 122.820 0.010 0.000 2.014 132 A HA -0.134 4.150 4.320 -0.060 0.000 0.218 132 A C 1.205 178.783 177.584 -0.010 0.000 1.163 132 A CA 1.539 53.578 52.037 0.003 0.000 0.652 132 A CB -0.404 18.596 19.000 0.000 0.000 0.808 132 A HN 0.875 nan 8.150 nan 0.000 0.449 133 D N -0.981 119.411 120.400 -0.013 0.000 2.344 133 D HA 0.052 4.657 4.640 -0.060 0.000 0.242 133 D C 0.727 177.011 176.300 -0.027 0.000 1.159 133 D CA 0.137 54.126 54.000 -0.017 0.000 0.859 133 D CB 0.124 40.915 40.800 -0.015 0.000 0.925 133 D HN 0.471 nan 8.370 nan 0.000 0.510 134 R N -0.950 119.527 120.500 -0.038 0.000 3.853 134 R HA 0.321 4.625 4.340 -0.060 0.000 0.253 134 R C 0.019 176.275 176.300 -0.072 0.000 1.046 134 R CA -0.636 55.430 56.100 -0.057 0.000 0.856 134 R CB 0.276 30.532 30.300 -0.073 0.000 1.667 134 R HN -0.013 nan 8.270 nan 0.000 0.400 135 K N 0.157 120.487 120.400 -0.117 0.000 2.552 135 K HA 0.125 4.409 4.320 -0.060 0.000 0.196 135 K C -0.443 176.008 176.600 -0.249 0.000 1.785 135 K CA 0.476 56.683 56.287 -0.133 0.000 1.076 135 K CB 0.505 32.958 32.500 -0.078 0.000 1.559 135 K HN 0.434 nan 8.250 nan 0.000 0.591 136 S N -0.371 115.174 115.700 -0.258 0.000 2.745 136 S HA 0.371 4.805 4.470 -0.060 0.000 0.292 136 S C -0.162 174.138 174.600 -0.499 0.000 1.133 136 S CA -0.264 57.733 58.200 -0.338 0.000 0.998 136 S CB 1.583 64.676 63.200 -0.179 0.000 1.087 136 S HN 0.279 nan 8.310 nan 0.000 0.551 137 V N 3.535 123.168 119.914 -0.469 0.000 2.149 137 V HA 0.224 4.308 4.120 -0.060 0.000 0.245 137 V C 0.309 176.356 176.094 -0.078 0.000 1.349 137 V CA -0.502 61.595 62.300 -0.339 0.000 1.289 137 V CB -1.140 30.735 31.823 0.086 0.000 1.401 137 V HN 0.874 nan 8.190 nan 0.000 0.501 138 Q N 5.538 125.289 119.800 -0.081 0.000 2.239 138 Q HA 0.129 4.433 4.340 -0.060 0.000 0.286 138 Q C -0.177 175.837 176.000 0.022 0.000 1.102 138 Q CA 0.245 56.034 55.803 -0.023 0.000 0.936 138 Q CB 0.255 28.980 28.738 -0.022 0.000 1.127 138 Q HN 0.622 nan 8.270 nan 0.000 0.380 139 R N 3.521 124.033 120.500 0.020 0.000 2.248 139 R HA 0.339 4.644 4.340 -0.060 0.000 0.328 139 R C 0.153 176.469 176.300 0.027 0.000 1.067 139 R CA -0.072 56.046 56.100 0.031 0.000 0.924 139 R CB 0.190 30.505 30.300 0.026 0.000 1.013 139 R HN 0.670 nan 8.270 nan 0.000 0.454 140 I N -1.432 119.157 120.570 0.032 0.000 3.023 140 I HA 0.435 4.570 4.170 -0.060 0.000 0.312 140 I C -0.294 175.844 176.117 0.034 0.000 1.056 140 I CA -1.440 59.879 61.300 0.031 0.000 1.033 140 I CB 1.584 39.603 38.000 0.033 0.000 1.233 140 I HN 0.228 nan 8.210 nan 0.000 0.462 141 K N 2.289 122.711 120.400 0.038 0.000 2.466 141 K HA 0.063 4.347 4.320 -0.060 0.000 0.278 141 K C 1.116 177.746 176.600 0.050 0.000 1.048 141 K CA 0.502 56.815 56.287 0.043 0.000 1.088 141 K CB 0.928 33.458 32.500 0.050 0.000 0.884 141 K HN 0.808 nan 8.250 nan 0.000 0.478 142 A N 4.354 127.202 122.820 0.046 0.000 1.927 142 A HA -0.259 4.025 4.320 -0.060 0.000 0.220 142 A C 2.105 179.727 177.584 0.063 0.000 1.185 142 A CA 1.725 53.790 52.037 0.048 0.000 0.639 142 A CB -0.398 18.629 19.000 0.045 0.000 0.820 142 A HN 0.867 nan 8.150 nan 0.000 0.451 143 R N -0.690 119.857 120.500 0.079 0.000 2.226 143 R HA -0.172 4.132 4.340 -0.060 0.000 0.246 143 R C 0.284 176.691 176.300 0.178 0.000 1.161 143 R CA 1.689 57.863 56.100 0.125 0.000 0.997 143 R CB -0.171 30.197 30.300 0.113 0.000 0.870 143 R HN 0.517 nan 8.270 nan 0.000 0.465 144 D N -0.437 120.033 120.400 0.117 0.000 2.433 144 D HA 0.128 4.732 4.640 -0.060 0.000 0.211 144 D C 0.307 176.625 176.300 0.030 0.000 1.114 144 D CA -0.027 54.022 54.000 0.082 0.000 0.837 144 D CB 0.444 41.292 40.800 0.081 0.000 0.984 144 D HN 0.204 nan 8.370 nan 0.000 0.505 145 I N 1.241 121.832 120.570 0.035 0.000 2.882 145 I HA 0.108 4.243 4.170 -0.060 0.000 0.286 145 I C 0.504 176.628 176.117 0.011 0.000 1.139 145 I CA -0.301 61.010 61.300 0.017 0.000 1.379 145 I CB 1.143 39.151 38.000 0.013 0.000 1.410 145 I HN -0.238 nan 8.210 nan 0.000 0.594 146 V N 1.865 121.784 119.914 0.007 0.000 3.204 146 V HA 0.471 4.556 4.120 -0.060 0.000 0.298 146 V C -2.925 173.159 176.094 -0.016 0.000 1.328 146 V CA -2.372 59.947 62.300 0.032 0.000 1.035 146 V CB 1.547 33.435 31.823 0.108 0.000 1.095 146 V HN 0.426 nan 8.190 nan 0.000 0.442 147 P HA 0.420 nan 4.420 nan 0.000 0.263 147 P C 0.929 177.929 177.300 -0.501 0.000 1.195 147 P CA 2.064 64.979 63.100 -0.307 0.000 0.762 147 P CB 0.687 32.088 31.700 -0.498 0.000 0.799 148 G N 2.650 110.856 108.800 -0.989 0.000 2.436 148 G HA2 -0.156 3.769 3.960 -0.060 0.000 0.204 148 G HA3 -0.156 3.769 3.960 -0.060 0.000 0.204 148 G C -0.205 174.434 174.900 -0.434 0.000 1.026 148 G CA -0.070 44.275 45.100 -1.259 0.000 0.658 148 G HN 0.659 nan 8.290 nan 0.000 0.499 149 D N 1.832 122.100 120.400 -0.221 0.000 2.341 149 D HA 0.479 5.083 4.640 -0.060 0.000 0.245 149 D C 0.387 176.623 176.300 -0.106 0.000 1.106 149 D CA -0.568 53.370 54.000 -0.105 0.000 0.905 149 D CB 0.971 41.749 40.800 -0.038 0.000 1.202 149 D HN 0.142 nan 8.370 nan 0.000 0.426 150 I N 1.169 121.699 120.570 -0.067 0.000 2.634 150 I HA 0.121 4.255 4.170 -0.060 0.000 0.284 150 I C 0.352 176.407 176.117 -0.103 0.000 1.124 150 I CA -0.302 60.940 61.300 -0.096 0.000 1.417 150 I CB 1.032 38.972 38.000 -0.099 0.000 1.396 150 I HN 0.348 nan 8.210 nan 0.000 0.571 151 V N 2.736 122.565 119.914 -0.142 0.000 3.040 151 V HA 0.655 4.739 4.120 -0.060 0.000 0.312 151 V C -0.570 175.426 176.094 -0.164 0.000 1.115 151 V CA -0.925 61.307 62.300 -0.114 0.000 0.998 151 V CB 1.935 33.713 31.823 -0.075 0.000 1.042 151 V HN 0.687 nan 8.190 nan 0.000 0.433 152 E N 1.036 121.171 120.200 -0.108 0.000 2.199 152 E HA 0.676 4.990 4.350 -0.060 0.000 0.265 152 E C -1.365 175.211 176.600 -0.040 0.000 0.882 152 E CA -0.621 55.719 56.400 -0.100 0.000 0.759 152 E CB 2.289 31.961 29.700 -0.047 0.000 1.148 152 E HN 0.900 nan 8.360 nan 0.000 0.412 153 V N 0.263 120.150 119.914 -0.044 0.000 2.680 153 V HA 1.007 5.091 4.120 -0.060 0.000 0.309 153 V C -0.533 175.551 176.094 -0.017 0.000 1.052 153 V CA -0.659 61.626 62.300 -0.024 0.000 0.908 153 V CB 1.413 33.217 31.823 -0.032 0.000 1.001 153 V HN 0.697 nan 8.190 nan 0.000 0.431 154 A N 2.804 125.622 122.820 -0.003 0.000 2.532 154 A HA 0.844 5.128 4.320 -0.060 0.000 0.290 154 A C -0.308 177.278 177.584 0.004 0.000 1.143 154 A CA -0.531 51.506 52.037 0.000 0.000 0.728 154 A CB 1.789 20.795 19.000 0.009 0.000 1.317 154 A HN 1.980 nan 8.150 nan 0.000 0.414 155 V N 1.107 121.024 119.914 0.004 0.000 2.681 155 V HA 0.363 4.447 4.120 -0.060 0.000 0.306 155 V C 1.444 177.546 176.094 0.012 0.000 1.077 155 V CA 2.613 64.917 62.300 0.007 0.000 1.224 155 V CB 0.362 32.190 31.823 0.008 0.000 0.879 155 V HN 2.640 nan 8.190 nan 0.000 0.494 156 G N 4.206 113.016 108.800 0.016 0.000 2.217 156 G HA2 -0.198 3.726 3.960 -0.060 0.000 0.246 156 G HA3 -0.198 3.726 3.960 -0.060 0.000 0.246 156 G C 0.028 174.944 174.900 0.026 0.000 0.990 156 G CA 0.220 45.333 45.100 0.021 0.000 0.627 156 G HN 0.781 nan 8.290 nan 0.000 0.522 157 D N 0.692 121.105 120.400 0.022 0.000 2.362 157 D HA 0.399 5.003 4.640 -0.060 0.000 0.242 157 D C 0.527 176.849 176.300 0.037 0.000 1.132 157 D CA 0.153 54.168 54.000 0.026 0.000 0.907 157 D CB 1.125 41.935 40.800 0.017 0.000 1.195 157 D HN 0.428 nan 8.370 nan 0.000 0.429 158 K N 1.257 121.686 120.400 0.048 0.000 2.227 158 K HA 0.260 4.544 4.320 -0.060 0.000 0.280 158 K C -0.795 175.834 176.600 0.048 0.000 1.041 158 K CA -0.665 55.663 56.287 0.068 0.000 0.905 158 K CB 0.819 33.376 32.500 0.096 0.000 1.068 158 K HN 0.092 nan 8.250 nan 0.000 0.470 159 V N 7.901 127.839 119.914 0.039 0.000 2.540 159 V HA 0.019 4.103 4.120 -0.060 0.000 0.297 159 V C -1.264 174.849 176.094 0.032 0.000 1.024 159 V CA -1.031 61.280 62.300 0.019 0.000 1.105 159 V CB 0.994 32.818 31.823 0.002 0.000 0.938 159 V HN 0.886 nan 8.190 nan 0.000 0.482 160 P HA 0.110 nan 4.420 nan 0.000 0.221 160 P C 0.242 177.559 177.300 0.027 0.000 1.155 160 P CA 1.099 64.216 63.100 0.028 0.000 0.812 160 P CB 0.694 32.405 31.700 0.019 0.000 0.801 161 A N -0.891 121.936 122.820 0.011 0.000 2.535 161 A HA 0.543 4.827 4.320 -0.060 0.000 0.296 161 A C -1.491 176.094 177.584 0.003 0.000 1.248 161 A CA -0.496 51.547 52.037 0.011 0.000 0.686 161 A CB 0.121 19.116 19.000 -0.008 0.000 1.315 161 A HN -0.213 nan 8.150 nan 0.000 0.460 162 D N 0.683 121.088 120.400 0.009 0.000 2.317 162 D HA 0.568 5.172 4.640 -0.060 0.000 0.252 162 D C -0.879 175.391 176.300 -0.050 0.000 1.174 162 D CA 0.820 54.822 54.000 0.004 0.000 0.866 162 D CB 0.550 41.391 40.800 0.068 0.000 1.127 162 D HN 0.362 nan 8.370 nan 0.000 0.467 163 I N 2.428 122.937 120.570 -0.101 0.000 2.466 163 I HA 0.221 4.355 4.170 -0.060 0.000 0.289 163 I C 0.075 176.123 176.117 -0.115 0.000 1.026 163 I CA -0.956 60.282 61.300 -0.103 0.000 1.078 163 I CB 1.723 39.661 38.000 -0.102 0.000 1.249 163 I HN -0.063 nan 8.210 nan 0.000 0.429 164 R N 6.740 127.196 120.500 -0.074 0.000 2.248 164 R HA 0.424 4.728 4.340 -0.060 0.000 0.328 164 R C -0.509 175.754 176.300 -0.062 0.000 1.067 164 R CA -0.469 55.598 56.100 -0.056 0.000 0.924 164 R CB 0.281 30.571 30.300 -0.017 0.000 1.013 164 R HN 0.586 nan 8.270 nan 0.000 0.454 165 I N 6.007 126.536 120.570 -0.070 0.000 2.648 165 I HA -0.153 3.981 4.170 -0.060 0.000 0.284 165 I C 1.457 177.548 176.117 -0.044 0.000 1.153 165 I CA 0.237 61.498 61.300 -0.065 0.000 1.426 165 I CB 0.738 38.698 38.000 -0.067 0.000 1.381 165 I HN 0.521 nan 8.210 nan 0.000 0.571 166 L N 4.542 125.735 121.223 -0.049 0.000 2.356 166 L HA 0.137 4.441 4.340 -0.060 0.000 0.193 166 L C 0.633 177.484 176.870 -0.031 0.000 1.087 166 L CA 0.473 55.291 54.840 -0.037 0.000 0.817 166 L CB 0.110 42.141 42.059 -0.047 0.000 1.035 166 L HN 0.739 nan 8.230 nan 0.000 0.482 167 S N -0.517 115.158 115.700 -0.041 0.000 2.536 167 S HA 0.536 4.970 4.470 -0.060 0.000 0.271 167 S C -0.872 173.707 174.600 -0.034 0.000 1.134 167 S CA -0.757 57.426 58.200 -0.029 0.000 0.897 167 S CB 1.509 64.695 63.200 -0.024 0.000 1.094 167 S HN 0.115 nan 8.310 nan 0.000 0.473 168 I N 3.988 124.545 120.570 -0.022 0.000 2.337 168 I HA 0.325 4.460 4.170 -0.060 0.000 0.291 168 I C 1.040 177.148 176.117 -0.016 0.000 1.046 168 I CA -0.747 60.539 61.300 -0.023 0.000 1.324 168 I CB 0.877 38.865 38.000 -0.019 0.000 1.409 168 I HN 0.612 nan 8.210 nan 0.000 0.494 169 K N 3.438 123.826 120.400 -0.019 0.000 2.137 169 K HA 0.050 4.334 4.320 -0.060 0.000 0.202 169 K C 0.979 177.576 176.600 -0.005 0.000 1.052 169 K CA 0.529 56.810 56.287 -0.011 0.000 0.961 169 K CB -0.231 32.262 32.500 -0.011 0.000 0.741 169 K HN 0.709 nan 8.250 nan 0.000 0.452 170 S N 0.378 116.074 115.700 -0.006 0.000 2.634 170 S HA 0.116 4.550 4.470 -0.060 0.000 0.261 170 S C 1.361 175.962 174.600 0.001 0.000 1.271 170 S CA -0.346 57.853 58.200 -0.001 0.000 0.985 170 S CB 0.683 63.882 63.200 -0.002 0.000 0.968 170 S HN 0.151 nan 8.310 nan 0.000 0.568 171 T N 1.046 115.604 114.554 0.006 0.000 2.635 171 T HA -0.023 4.292 4.350 -0.060 0.000 0.267 171 T C 1.178 175.887 174.700 0.015 0.000 1.040 171 T CA 1.836 63.943 62.100 0.011 0.000 1.156 171 T CB -0.763 68.115 68.868 0.016 0.000 0.863 171 T HN 1.009 nan 8.240 nan 0.000 0.430 172 T N -1.319 113.241 114.554 0.010 0.000 2.804 172 T HA 0.662 4.977 4.350 -0.060 0.000 0.290 172 T C -1.873 172.815 174.700 -0.020 0.000 1.099 172 T CA -1.091 61.009 62.100 -0.000 0.000 1.011 172 T CB 1.815 70.691 68.868 0.014 0.000 1.291 172 T HN 0.097 nan 8.240 nan 0.000 0.523 173 L N 0.314 121.509 121.223 -0.047 0.000 2.438 173 L HA 0.724 5.029 4.340 -0.060 0.000 0.270 173 L C -0.940 175.896 176.870 -0.056 0.000 0.972 173 L CA -0.476 54.333 54.840 -0.051 0.000 0.831 173 L CB 1.827 43.846 42.059 -0.067 0.000 1.273 173 L HN 0.786 nan 8.230 nan 0.000 0.405 174 R N 4.183 124.664 120.500 -0.033 0.000 2.451 174 R HA 0.750 5.055 4.340 -0.060 0.000 0.307 174 R C -1.331 174.959 176.300 -0.016 0.000 0.965 174 R CA -0.716 55.372 56.100 -0.021 0.000 0.865 174 R CB 2.100 32.398 30.300 -0.003 0.000 1.174 174 R HN 0.473 nan 8.270 nan 0.000 0.455 175 V N 1.226 121.130 119.914 -0.017 0.000 2.850 175 V HA 0.275 4.359 4.120 -0.060 0.000 0.315 175 V C -0.217 175.880 176.094 0.006 0.000 1.064 175 V CA -0.665 61.628 62.300 -0.011 0.000 0.979 175 V CB 2.005 33.814 31.823 -0.024 0.000 1.039 175 V HN 0.649 nan 8.190 nan 0.000 0.452 176 D N 1.276 121.681 120.400 0.009 0.000 2.456 176 D HA 0.225 4.829 4.640 -0.060 0.000 0.287 176 D C 0.633 176.934 176.300 0.001 0.000 1.186 176 D CA -0.405 53.600 54.000 0.008 0.000 0.916 176 D CB 0.634 41.440 40.800 0.008 0.000 1.029 176 D HN 0.580 nan 8.370 nan 0.000 0.498 177 Q N 1.206 121.016 119.800 0.017 0.000 2.294 177 Q HA 0.115 4.420 4.340 -0.060 0.000 0.256 177 Q C 0.926 176.904 176.000 -0.038 0.000 0.907 177 Q CA -0.212 55.597 55.803 0.012 0.000 0.954 177 Q CB 0.270 29.062 28.738 0.091 0.000 1.102 177 Q HN 0.159 nan 8.270 nan 0.000 0.429 178 S N 1.905 117.576 115.700 -0.049 0.000 2.390 178 S HA -0.242 4.193 4.470 -0.060 0.000 0.234 178 S C 1.926 176.459 174.600 -0.112 0.000 1.063 178 S CA 2.151 60.312 58.200 -0.064 0.000 1.108 178 S CB -0.489 62.682 63.200 -0.048 0.000 0.975 178 S HN 0.736 nan 8.310 nan 0.000 0.442 179 I N 0.466 120.910 120.570 -0.209 0.000 2.151 179 I HA -0.235 3.899 4.170 -0.060 0.000 0.243 179 I C 2.045 178.056 176.117 -0.177 0.000 1.080 179 I CA 1.600 62.724 61.300 -0.294 0.000 1.339 179 I CB -0.877 36.792 38.000 -0.551 0.000 1.039 179 I HN 0.194 nan 8.210 nan 0.000 0.409 180 L N 0.922 122.053 121.223 -0.155 0.000 2.005 180 L HA -0.107 4.197 4.340 -0.060 0.000 0.207 180 L C 2.917 179.727 176.870 -0.100 0.000 1.072 180 L CA 2.097 56.856 54.840 -0.136 0.000 0.744 180 L CB -1.366 40.591 42.059 -0.169 0.000 0.895 180 L HN 0.519 nan 8.230 nan 0.000 0.433 181 T N -3.519 110.988 114.554 -0.079 0.000 2.914 181 T HA 0.319 4.634 4.350 -0.060 0.000 0.240 181 T C 1.515 176.190 174.700 -0.041 0.000 1.025 181 T CA 0.773 62.841 62.100 -0.053 0.000 1.198 181 T CB 0.218 69.064 68.868 -0.037 0.000 0.892 181 T HN 0.430 nan 8.240 nan 0.000 0.417 182 G N 1.752 110.530 108.800 -0.037 0.000 2.227 182 G HA2 -0.120 3.804 3.960 -0.060 0.000 0.168 182 G HA3 -0.120 3.804 3.960 -0.060 0.000 0.168 182 G C -0.104 174.787 174.900 -0.016 0.000 1.006 182 G CA 0.040 45.126 45.100 -0.024 0.000 0.684 182 G HN 0.914 nan 8.290 nan 0.000 0.489 183 E N 0.846 121.036 120.200 -0.016 0.000 2.026 183 E HA 0.635 4.949 4.350 -0.060 0.000 0.253 183 E C 1.218 177.814 176.600 -0.007 0.000 1.056 183 E CA 0.302 56.695 56.400 -0.011 0.000 0.927 183 E CB 1.246 30.939 29.700 -0.013 0.000 1.172 183 E HN 0.193 nan 8.360 nan 0.000 0.445 184 S N 2.389 118.086 115.700 -0.006 0.000 2.575 184 S HA -0.259 4.175 4.470 -0.060 0.000 0.304 184 S C 0.953 175.553 174.600 0.001 0.000 1.237 184 S CA 1.552 59.751 58.200 -0.002 0.000 1.122 184 S CB -0.365 62.834 63.200 -0.003 0.000 1.073 184 S HN 0.491 nan 8.310 nan 0.000 0.450 185 V N 3.100 123.014 119.914 0.000 0.000 2.529 185 V HA 0.225 4.309 4.120 -0.060 0.000 0.292 185 V C 0.751 176.853 176.094 0.014 0.000 1.028 185 V CA 0.172 62.476 62.300 0.007 0.000 1.074 185 V CB 0.647 32.473 31.823 0.006 0.000 0.958 185 V HN 0.676 nan 8.190 nan 0.000 0.481 186 S N 5.466 121.177 115.700 0.017 0.000 2.600 186 S HA 0.569 5.003 4.470 -0.060 0.000 0.265 186 S C -0.304 174.314 174.600 0.029 0.000 1.325 186 S CA -0.566 57.645 58.200 0.019 0.000 1.002 186 S CB 1.548 64.757 63.200 0.016 0.000 0.921 186 S HN 1.013 nan 8.310 nan 0.000 0.554 187 V N -0.406 119.524 119.914 0.028 0.000 2.628 187 V HA 0.671 4.755 4.120 -0.060 0.000 0.306 187 V C -0.386 175.715 176.094 0.011 0.000 1.045 187 V CA -1.201 61.122 62.300 0.038 0.000 0.905 187 V CB 0.787 32.641 31.823 0.053 0.000 0.997 187 V HN 0.827 nan 8.190 nan 0.000 0.436 188 I N 4.023 124.602 120.570 0.015 0.000 2.519 188 I HA 0.445 4.579 4.170 -0.060 0.000 0.287 188 I C 0.565 176.585 176.117 -0.161 0.000 1.047 188 I CA 0.410 61.671 61.300 -0.065 0.000 1.381 188 I CB 0.705 38.693 38.000 -0.020 0.000 1.417 188 I HN 0.624 nan 8.210 nan 0.000 0.540 189 K N 4.941 125.172 120.400 -0.281 0.000 2.306 189 K HA 0.634 4.918 4.320 -0.060 0.000 0.236 189 K C -0.625 175.643 176.600 -0.553 0.000 1.013 189 K CA -0.798 55.320 56.287 -0.282 0.000 0.857 189 K CB 1.700 34.107 32.500 -0.154 0.000 1.214 189 K HN 0.532 nan 8.250 nan 0.000 0.449 190 H N -1.044 118.017 119.070 -0.015 0.000 2.942 190 H HA 0.217 4.737 4.556 -0.060 0.000 0.316 190 H C 0.327 175.636 175.328 -0.032 0.000 1.323 190 H CA -0.265 55.771 56.048 -0.019 0.000 1.144 190 H CB 1.705 31.446 29.762 -0.036 0.000 1.866 190 H HN 0.677 nan 8.280 nan 0.000 0.545 191 T N -2.820 111.806 114.554 0.120 0.000 3.010 191 T HA 0.161 4.475 4.350 -0.060 0.000 0.257 191 T C 0.387 175.099 174.700 0.021 0.000 1.020 191 T CA -0.187 61.938 62.100 0.042 0.000 0.938 191 T CB 0.419 69.299 68.868 0.020 0.000 1.049 191 T HN 0.358 nan 8.240 nan 0.000 0.522 192 E N 3.285 123.492 120.200 0.011 0.000 2.436 192 E HA 0.154 4.468 4.350 -0.060 0.000 0.262 192 E C -2.413 174.178 176.600 -0.014 0.000 1.063 192 E CA -1.590 54.796 56.400 -0.024 0.000 0.944 192 E CB 0.506 30.161 29.700 -0.075 0.000 0.950 192 E HN 0.316 nan 8.360 nan 0.000 0.444 193 P HA 0.034 nan 4.420 nan 0.000 0.282 193 P C -0.533 176.765 177.300 -0.003 0.000 1.274 193 P CA -0.134 62.955 63.100 -0.018 0.000 0.770 193 P CB 0.584 32.260 31.700 -0.040 0.000 0.867 194 V N 7.440 127.385 119.914 0.053 0.000 2.400 194 V HA 0.027 4.111 4.120 -0.060 0.000 0.263 194 V C -0.852 175.303 176.094 0.101 0.000 1.026 194 V CA -0.510 61.851 62.300 0.103 0.000 1.077 194 V CB 0.146 32.102 31.823 0.221 0.000 1.054 194 V HN 0.566 nan 8.190 nan 0.000 0.477 195 P HA 0.005 nan 4.420 nan 0.000 0.235 195 P C 0.378 177.681 177.300 0.004 0.000 1.177 195 P CA 0.275 63.368 63.100 -0.013 0.000 0.785 195 P CB 0.342 32.029 31.700 -0.021 0.000 0.885 196 D N 1.173 121.610 120.400 0.060 0.000 2.371 196 D HA 0.054 4.658 4.640 -0.060 0.000 0.256 196 D C -1.538 174.866 176.300 0.173 0.000 1.193 196 D CA -2.025 52.023 54.000 0.081 0.000 0.881 196 D CB 1.027 41.872 40.800 0.076 0.000 1.143 196 D HN -0.046 nan 8.370 nan 0.000 0.473 197 P HA -0.082 nan 4.420 nan 0.000 0.218 197 P C 0.025 177.440 177.300 0.192 0.000 1.149 197 P CA 1.072 64.226 63.100 0.091 0.000 0.817 197 P CB 0.117 31.829 31.700 0.020 0.000 0.785 198 R N -1.091 119.485 120.500 0.126 0.000 3.463 198 R HA 0.671 4.975 4.340 -0.060 0.000 0.303 198 R C -0.424 175.902 176.300 0.044 0.000 1.370 198 R CA -0.539 55.608 56.100 0.079 0.000 1.524 198 R CB 0.184 30.508 30.300 0.041 0.000 1.389 198 R HN -0.133 nan 8.270 nan 0.000 0.640 199 A N 1.614 124.446 122.820 0.020 0.000 2.309 199 A HA 0.470 4.754 4.320 -0.060 0.000 0.298 199 A C 0.779 178.297 177.584 -0.110 0.000 1.165 199 A CA -0.736 51.268 52.037 -0.056 0.000 0.821 199 A CB 0.809 19.748 19.000 -0.101 0.000 1.102 199 A HN 0.463 nan 8.150 nan 0.000 0.500 200 V N 1.206 121.085 119.914 -0.059 0.000 3.237 200 V HA 0.078 4.162 4.120 -0.060 0.000 0.305 200 V C 1.089 177.140 176.094 -0.072 0.000 1.096 200 V CA -0.178 62.085 62.300 -0.063 0.000 1.130 200 V CB -0.013 31.794 31.823 -0.027 0.000 1.048 200 V HN 0.848 nan 8.190 nan 0.000 0.484 201 N N 0.615 119.263 118.700 -0.087 0.000 2.272 201 N HA -0.173 4.531 4.740 -0.060 0.000 0.185 201 N C 1.613 177.151 175.510 0.047 0.000 1.014 201 N CA 1.650 54.668 53.050 -0.054 0.000 0.870 201 N CB -0.476 37.828 38.487 -0.305 0.000 0.975 201 N HN 0.864 nan 8.380 nan 0.000 0.433 202 Q N 0.687 120.496 119.800 0.016 0.000 2.291 202 Q HA -0.065 4.239 4.340 -0.060 0.000 0.206 202 Q C 0.227 176.273 176.000 0.078 0.000 0.976 202 Q CA 1.170 57.007 55.803 0.057 0.000 0.875 202 Q CB 0.112 28.880 28.738 0.050 0.000 0.927 202 Q HN 0.255 nan 8.270 nan 0.000 0.450 203 D N -1.371 119.059 120.400 0.050 0.000 2.433 203 D HA 0.080 4.685 4.640 -0.060 0.000 0.211 203 D C -0.426 175.889 176.300 0.024 0.000 1.114 203 D CA 0.088 54.111 54.000 0.039 0.000 0.837 203 D CB 0.397 41.208 40.800 0.019 0.000 0.984 203 D HN 0.042 nan 8.370 nan 0.000 0.505 204 K N 1.557 121.979 120.400 0.035 0.000 2.222 204 K HA 0.122 4.406 4.320 -0.060 0.000 0.243 204 K C 0.909 177.530 176.600 0.035 0.000 1.160 204 K CA -0.112 56.185 56.287 0.017 0.000 1.090 204 K CB 0.331 32.851 32.500 0.033 0.000 1.694 204 K HN 0.037 nan 8.250 nan 0.000 0.361 205 K N 0.404 120.829 120.400 0.042 0.000 2.469 205 K HA 0.026 4.310 4.320 -0.060 0.000 0.201 205 K C 0.104 176.714 176.600 0.018 0.000 1.028 205 K CA -0.062 56.251 56.287 0.042 0.000 1.170 205 K CB -0.037 32.523 32.500 0.100 0.000 0.874 205 K HN 0.176 nan 8.250 nan 0.000 0.507 206 N N 1.055 119.753 118.700 -0.004 0.000 2.553 206 N HA 0.167 4.871 4.740 -0.060 0.000 0.298 206 N C -0.848 174.613 175.510 -0.083 0.000 1.596 206 N CA -0.409 52.628 53.050 -0.022 0.000 0.910 206 N CB 0.442 38.938 38.487 0.015 0.000 1.336 206 N HN -0.001 nan 8.380 nan 0.000 0.497 207 M N 0.639 120.128 119.600 -0.185 0.000 2.484 207 M HA 0.460 4.904 4.480 -0.060 0.000 0.289 207 M C -1.385 174.596 176.300 -0.533 0.000 1.206 207 M CA -0.369 54.729 55.300 -0.336 0.000 0.892 207 M CB 2.603 34.963 32.600 -0.401 0.000 1.712 207 M HN 0.018 nan 8.290 nan 0.000 0.462 208 L N 2.110 123.034 121.223 -0.498 0.000 2.341 208 L HA 0.601 4.905 4.340 -0.060 0.000 0.278 208 L C -1.204 175.353 176.870 -0.522 0.000 1.005 208 L CA -0.595 53.963 54.840 -0.469 0.000 0.818 208 L CB 1.531 43.461 42.059 -0.215 0.000 1.259 208 L HN 0.467 nan 8.230 nan 0.000 0.418 209 F N 0.669 120.601 119.950 -0.031 0.000 2.410 209 F HA 0.227 4.718 4.527 -0.059 0.000 0.349 209 F C 1.051 176.833 175.800 -0.029 0.000 1.117 209 F CA -0.571 57.410 58.000 -0.033 0.000 1.104 209 F CB 1.517 40.490 39.000 -0.044 0.000 1.122 209 F HN 0.404 nan 8.300 nan 0.000 0.483 210 S N 2.505 118.293 115.700 0.147 0.000 2.673 210 S HA 0.336 4.770 4.470 -0.060 0.000 0.308 210 S C 1.088 175.742 174.600 0.089 0.000 1.246 210 S CA 0.889 59.143 58.200 0.090 0.000 1.077 210 S CB -0.372 62.873 63.200 0.075 0.000 0.814 210 S HN 1.296 nan 8.310 nan 0.000 0.503 211 G N 3.459 112.306 108.800 0.079 0.000 2.253 211 G HA2 -0.189 3.735 3.960 -0.060 0.000 0.209 211 G HA3 -0.189 3.735 3.960 -0.060 0.000 0.209 211 G C 0.277 175.180 174.900 0.005 0.000 0.997 211 G CA 0.047 45.192 45.100 0.076 0.000 0.640 211 G HN 0.919 nan 8.290 nan 0.000 0.496 212 T N 2.360 116.925 114.554 0.019 0.000 2.849 212 T HA 0.528 4.842 4.350 -0.060 0.000 0.284 212 T C 0.096 174.812 174.700 0.027 0.000 1.004 212 T CA -0.128 61.973 62.100 0.001 0.000 1.021 212 T CB 0.858 69.754 68.868 0.045 0.000 1.013 212 T HN 0.326 nan 8.240 nan 0.000 0.527 213 N N 1.335 120.049 118.700 0.023 0.000 2.361 213 N HA 0.343 5.047 4.740 -0.060 0.000 0.302 213 N C -0.584 174.935 175.510 0.015 0.000 1.074 213 N CA -0.688 52.382 53.050 0.033 0.000 0.850 213 N CB 1.441 39.958 38.487 0.049 0.000 1.228 213 N HN 0.381 nan 8.380 nan 0.000 0.491 214 I N 1.246 121.822 120.570 0.010 0.000 2.517 214 I HA 0.069 4.203 4.170 -0.060 0.000 0.285 214 I C 1.308 177.429 176.117 0.007 0.000 1.106 214 I CA 0.026 61.326 61.300 -0.000 0.000 1.402 214 I CB 0.164 38.160 38.000 -0.006 0.000 1.399 214 I HN 0.592 nan 8.210 nan 0.000 0.535 215 A N 5.133 127.955 122.820 0.005 0.000 2.303 215 A HA 0.685 4.970 4.320 -0.060 0.000 0.217 215 A C 0.856 178.444 177.584 0.007 0.000 1.205 215 A CA 0.549 52.591 52.037 0.009 0.000 0.875 215 A CB 0.238 19.244 19.000 0.010 0.000 0.910 215 A HN 0.885 nan 8.150 nan 0.000 0.501 216 A N -2.435 120.386 122.820 0.002 0.000 2.599 216 A HA 0.643 4.928 4.320 -0.060 0.000 0.294 216 A C 0.355 177.937 177.584 -0.004 0.000 1.055 216 A CA 0.166 52.204 52.037 0.002 0.000 0.683 216 A CB -0.229 18.774 19.000 0.006 0.000 1.278 216 A HN 2.101 nan 8.150 nan 0.000 0.412 217 G N 0.136 108.934 108.800 -0.002 0.000 2.725 217 G HA2 0.336 4.261 3.960 -0.060 0.000 0.220 217 G HA3 0.336 4.261 3.960 -0.060 0.000 0.220 217 G C -0.359 174.536 174.900 -0.010 0.000 1.357 217 G CA 0.349 45.445 45.100 -0.006 0.000 0.866 217 G HN 1.954 nan 8.290 nan 0.000 0.548 218 K N -0.727 119.664 120.400 -0.015 0.000 2.561 218 K HA 0.717 5.001 4.320 -0.060 0.000 0.254 218 K C -0.458 176.125 176.600 -0.029 0.000 0.942 218 K CA -0.017 56.259 56.287 -0.018 0.000 0.818 218 K CB 1.304 33.800 32.500 -0.007 0.000 1.306 218 K HN 2.173 nan 8.250 nan 0.000 0.435 219 A N 3.148 125.943 122.820 -0.042 0.000 2.569 219 A HA 0.786 5.070 4.320 -0.060 0.000 0.290 219 A C -2.069 175.465 177.584 -0.083 0.000 1.136 219 A CA -0.825 51.178 52.037 -0.057 0.000 0.710 219 A CB 1.618 20.583 19.000 -0.058 0.000 1.303 219 A HN 0.628 nan 8.150 nan 0.000 0.413 220 L N -0.025 121.138 121.223 -0.099 0.000 2.362 220 L HA 0.897 5.202 4.340 -0.060 0.000 0.271 220 L C 0.182 176.982 176.870 -0.116 0.000 1.002 220 L CA 0.453 55.206 54.840 -0.144 0.000 0.818 220 L CB 2.126 44.069 42.059 -0.194 0.000 1.298 220 L HN 1.235 nan 8.230 nan 0.000 0.420 221 G N 3.540 112.266 108.800 -0.123 0.000 2.687 221 G HA2 0.472 4.396 3.960 -0.060 0.000 0.291 221 G HA3 0.472 4.396 3.960 -0.060 0.000 0.291 221 G C -2.089 172.750 174.900 -0.100 0.000 1.420 221 G CA -0.623 44.419 45.100 -0.096 0.000 0.796 221 G HN 0.773 nan 8.290 nan 0.000 0.485 222 I N 0.460 120.980 120.570 -0.083 0.000 2.441 222 I HA 0.574 4.709 4.170 -0.060 0.000 0.295 222 I C -0.254 175.787 176.117 -0.126 0.000 0.994 222 I CA -1.003 60.234 61.300 -0.105 0.000 1.144 222 I CB 1.855 39.815 38.000 -0.068 0.000 1.314 222 I HN 0.254 nan 8.210 nan 0.000 0.445 223 V N 8.505 128.311 119.914 -0.181 0.000 2.450 223 V HA 0.057 4.141 4.120 -0.060 0.000 0.281 223 V C 1.190 177.169 176.094 -0.192 0.000 1.019 223 V CA 0.871 63.067 62.300 -0.173 0.000 1.062 223 V CB 0.482 32.201 31.823 -0.175 0.000 0.979 223 V HN 0.988 nan 8.190 nan 0.000 0.477 224 A N 4.869 127.642 122.820 -0.080 0.000 1.911 224 A HA 0.262 4.547 4.320 -0.060 0.000 0.212 224 A C 1.039 178.614 177.584 -0.014 0.000 1.189 224 A CA 1.218 53.261 52.037 0.009 0.000 0.639 224 A CB 0.128 19.139 19.000 0.018 0.000 0.839 224 A HN 0.897 nan 8.150 nan 0.000 0.449 225 T N -3.420 111.103 114.554 -0.052 0.000 2.885 225 T HA 0.559 4.873 4.350 -0.060 0.000 0.322 225 T C -0.572 174.100 174.700 -0.047 0.000 1.387 225 T CA 0.051 62.108 62.100 -0.071 0.000 1.041 225 T CB 1.441 70.292 68.868 -0.028 0.000 1.287 225 T HN 0.751 nan 8.240 nan 0.000 0.491 226 T N -1.656 112.871 114.554 -0.046 0.000 2.716 226 T HA 0.864 5.178 4.350 -0.060 0.000 0.286 226 T C 1.004 175.719 174.700 0.025 0.000 1.052 226 T CA 0.124 62.221 62.100 -0.004 0.000 1.024 226 T CB 1.074 69.940 68.868 -0.003 0.000 1.349 226 T HN 2.301 nan 8.240 nan 0.000 0.525 227 G N 0.172 109.000 108.800 0.046 0.000 2.574 227 G HA2 -0.300 3.625 3.960 -0.060 0.000 0.286 227 G HA3 -0.300 3.625 3.960 -0.060 0.000 0.286 227 G C 1.011 175.939 174.900 0.047 0.000 1.212 227 G CA 1.684 46.820 45.100 0.059 0.000 0.979 227 G HN 2.059 nan 8.290 nan 0.000 0.557 228 V N -2.038 117.904 119.914 0.047 0.000 3.510 228 V HA 0.339 4.423 4.120 -0.060 0.000 0.270 228 V C 1.885 177.996 176.094 0.028 0.000 1.201 228 V CA 2.282 64.603 62.300 0.034 0.000 1.166 228 V CB 0.291 32.134 31.823 0.033 0.000 0.825 228 V HN 0.807 nan 8.190 nan 0.000 0.484 229 S N 0.630 116.348 115.700 0.030 0.000 2.557 229 S HA 0.166 4.600 4.470 -0.060 0.000 0.223 229 S C 0.972 175.586 174.600 0.024 0.000 0.969 229 S CA 0.393 58.607 58.200 0.023 0.000 0.927 229 S CB -0.056 63.157 63.200 0.022 0.000 0.806 229 S HN 0.891 nan 8.310 nan 0.000 0.489 230 T N -0.685 113.887 114.554 0.030 0.000 2.897 230 T HA 0.474 4.788 4.350 -0.060 0.000 0.278 230 T C 0.900 175.621 174.700 0.034 0.000 0.981 230 T CA -0.576 61.554 62.100 0.050 0.000 0.973 230 T CB 1.044 69.948 68.868 0.060 0.000 1.092 230 T HN -0.119 nan 8.240 nan 0.000 0.543 231 E N -0.232 119.997 120.200 0.048 0.000 2.077 231 E HA -0.000 4.314 4.350 -0.060 0.000 0.193 231 E C 1.724 178.279 176.600 -0.075 0.000 0.989 231 E CA 0.912 57.278 56.400 -0.057 0.000 0.800 231 E CB -0.366 29.200 29.700 -0.224 0.000 0.746 231 E HN 0.683 nan 8.360 nan 0.000 0.452 232 I N -0.675 119.872 120.570 -0.039 0.000 2.676 232 I HA -0.068 4.067 4.170 -0.060 0.000 0.259 232 I C 1.845 177.956 176.117 -0.011 0.000 1.194 232 I CA 0.942 62.222 61.300 -0.034 0.000 1.473 232 I CB 0.001 37.995 38.000 -0.009 0.000 1.096 232 I HN 0.209 nan 8.210 nan 0.000 0.443 233 G N 0.074 108.877 108.800 0.005 0.000 2.484 233 G HA2 -0.201 3.723 3.960 -0.060 0.000 0.218 233 G HA3 -0.201 3.723 3.960 -0.060 0.000 0.218 233 G C 1.654 176.553 174.900 -0.001 0.000 1.130 233 G CA 0.338 45.444 45.100 0.011 0.000 0.784 233 G HN 0.276 nan 8.290 nan 0.000 0.543 234 K N -0.408 119.983 120.400 -0.014 0.000 2.262 234 K HA 0.335 4.619 4.320 -0.060 0.000 0.200 234 K C 2.181 178.761 176.600 -0.032 0.000 1.049 234 K CA -0.002 56.272 56.287 -0.022 0.000 0.979 234 K CB 0.030 32.512 32.500 -0.029 0.000 0.773 234 K HN 0.255 nan 8.250 nan 0.000 0.474 235 I N 0.668 121.214 120.570 -0.040 0.000 2.353 235 I HA -0.196 3.938 4.170 -0.060 0.000 0.248 235 I C 2.493 178.592 176.117 -0.029 0.000 1.119 235 I CA 0.665 61.938 61.300 -0.045 0.000 1.417 235 I CB -0.109 37.857 38.000 -0.056 0.000 1.078 235 I HN 0.160 nan 8.210 nan 0.000 0.421 236 R N 1.322 121.811 120.500 -0.018 0.000 2.091 236 R HA -0.225 4.079 4.340 -0.060 0.000 0.238 236 R C 1.401 177.694 176.300 -0.011 0.000 1.136 236 R CA 2.036 58.131 56.100 -0.009 0.000 0.959 236 R CB -0.440 29.862 30.300 0.002 0.000 0.856 236 R HN 0.271 nan 8.270 nan 0.000 0.437 237 D N 0.247 120.640 120.400 -0.012 0.000 2.312 237 D HA -0.068 4.536 4.640 -0.060 0.000 0.211 237 D C 1.839 178.128 176.300 -0.018 0.000 0.964 237 D CA 0.739 54.733 54.000 -0.011 0.000 0.877 237 D CB 0.122 40.918 40.800 -0.006 0.000 0.924 237 D HN 0.394 nan 8.370 nan 0.000 0.515 238 Q N -0.794 118.991 119.800 -0.026 0.000 2.163 238 Q HA 0.082 4.386 4.340 -0.060 0.000 0.198 238 Q C 1.985 177.967 176.000 -0.030 0.000 0.954 238 Q CA 0.589 56.372 55.803 -0.032 0.000 0.851 238 Q CB 0.137 28.850 28.738 -0.042 0.000 0.928 238 Q HN 0.354 nan 8.270 nan 0.000 0.459 239 M N -0.365 119.219 119.600 -0.027 0.000 2.419 239 M HA 0.059 4.503 4.480 -0.060 0.000 0.264 239 M C 2.148 178.436 176.300 -0.021 0.000 1.082 239 M CA 0.790 56.075 55.300 -0.025 0.000 1.119 239 M CB -0.173 32.414 32.600 -0.022 0.000 1.398 239 M HN 0.122 nan 8.290 nan 0.000 0.453 240 A N 1.068 123.878 122.820 -0.018 0.000 1.898 240 A HA 0.122 4.406 4.320 -0.060 0.000 0.216 240 A C 2.249 179.824 177.584 -0.016 0.000 1.181 240 A CA 1.676 53.704 52.037 -0.015 0.000 0.620 240 A CB -0.607 18.386 19.000 -0.010 0.000 0.819 240 A HN 0.481 nan 8.150 nan 0.000 0.442 241 A N -0.808 122.000 122.820 -0.019 0.000 2.259 241 A HA 0.323 4.607 4.320 -0.060 0.000 0.208 241 A C 0.828 178.398 177.584 -0.023 0.000 1.201 241 A CA 0.426 52.452 52.037 -0.019 0.000 0.824 241 A CB -0.650 18.337 19.000 -0.020 0.000 0.838 241 A HN 0.264 nan 8.150 nan 0.000 0.485 242 T N 1.596 116.136 114.554 -0.024 0.000 2.761 242 T HA 0.127 4.442 4.350 -0.060 0.000 0.296 242 T C -0.010 174.677 174.700 -0.022 0.000 0.934 242 T CA -0.092 61.993 62.100 -0.026 0.000 1.091 242 T CB 0.661 69.513 68.868 -0.027 0.000 0.896 242 T HN 0.352 nan 8.240 nan 0.000 0.515 243 E N 3.158 123.345 120.200 -0.021 0.000 2.104 243 E HA 0.041 4.355 4.350 -0.060 0.000 0.278 243 E C -0.248 176.342 176.600 -0.017 0.000 1.127 243 E CA -0.316 56.073 56.400 -0.018 0.000 0.897 243 E CB 0.599 30.290 29.700 -0.017 0.000 1.043 243 E HN 0.420 nan 8.360 nan 0.000 0.410 244 Q N 3.394 123.185 119.800 -0.016 0.000 2.361 244 Q HA 0.097 4.402 4.340 -0.060 0.000 0.250 244 Q C -1.197 174.796 176.000 -0.012 0.000 1.023 244 Q CA -0.203 55.591 55.803 -0.015 0.000 0.915 244 Q CB 0.404 29.132 28.738 -0.017 0.000 1.238 244 Q HN 0.282 nan 8.270 nan 0.000 0.451 245 D N 2.530 122.924 120.400 -0.010 0.000 2.339 245 D HA 0.133 4.737 4.640 -0.060 0.000 0.245 245 D C -0.082 176.215 176.300 -0.005 0.000 1.115 245 D CA -0.055 53.941 54.000 -0.006 0.000 0.917 245 D CB 0.742 41.540 40.800 -0.004 0.000 1.192 245 D HN 0.376 nan 8.370 nan 0.000 0.428 246 K N -0.087 120.312 120.400 -0.001 0.000 2.149 246 K HA 0.270 4.555 4.320 -0.060 0.000 0.245 246 K C 0.654 177.256 176.600 0.003 0.000 1.024 246 K CA -0.498 55.789 56.287 0.001 0.000 0.899 246 K CB 0.301 32.804 32.500 0.005 0.000 1.038 246 K HN 0.527 nan 8.250 nan 0.000 0.496 247 T N -1.815 112.742 114.554 0.006 0.000 2.788 247 T HA 0.131 4.445 4.350 -0.060 0.000 0.287 247 T C -1.921 172.788 174.700 0.014 0.000 1.007 247 T CA -1.615 60.489 62.100 0.007 0.000 1.005 247 T CB 0.746 69.620 68.868 0.011 0.000 1.012 247 T HN 0.226 nan 8.240 nan 0.000 0.530 248 P HA 0.042 nan 4.420 nan 0.000 0.225 248 P C 1.244 178.573 177.300 0.047 0.000 1.148 248 P CA 0.170 63.281 63.100 0.018 0.000 0.779 248 P CB 0.012 31.706 31.700 -0.009 0.000 0.780 249 L N -0.234 121.023 121.223 0.057 0.000 2.116 249 L HA -0.018 4.286 4.340 -0.060 0.000 0.200 249 L C 2.212 179.100 176.870 0.030 0.000 1.084 249 L CA 1.785 56.661 54.840 0.060 0.000 0.766 249 L CB -1.434 40.669 42.059 0.072 0.000 0.930 249 L HN -0.187 nan 8.230 nan 0.000 0.453 250 Q N -0.831 118.984 119.800 0.025 0.000 2.376 250 Q HA -0.251 4.053 4.340 -0.060 0.000 0.211 250 Q C 2.015 178.030 176.000 0.026 0.000 0.986 250 Q CA 1.512 57.327 55.803 0.020 0.000 0.886 250 Q CB -0.191 28.555 28.738 0.015 0.000 0.927 250 Q HN 0.642 nan 8.270 nan 0.000 0.457 251 Q N 0.351 120.168 119.800 0.029 0.000 2.089 251 Q HA -0.040 4.264 4.340 -0.060 0.000 0.195 251 Q C 1.491 177.518 176.000 0.045 0.000 0.963 251 Q CA 0.810 56.632 55.803 0.032 0.000 0.834 251 Q CB 0.165 28.920 28.738 0.027 0.000 0.906 251 Q HN 0.197 nan 8.270 nan 0.000 0.452 252 K N 0.155 120.585 120.400 0.049 0.000 2.426 252 K HA 0.018 4.302 4.320 -0.060 0.000 0.193 252 K C 1.603 178.250 176.600 0.078 0.000 1.028 252 K CA -0.009 56.316 56.287 0.064 0.000 1.047 252 K CB 0.311 32.848 32.500 0.063 0.000 0.821 252 K HN 0.005 nan 8.250 nan 0.000 0.513 253 L N 0.758 122.012 121.223 0.052 0.000 2.270 253 L HA -0.069 4.235 4.340 -0.060 0.000 0.210 253 L C 1.211 178.157 176.870 0.126 0.000 1.104 253 L CA 1.484 56.359 54.840 0.059 0.000 0.804 253 L CB 0.120 42.181 42.059 0.004 0.000 0.937 253 L HN 0.062 nan 8.230 nan 0.000 0.450 254 D N -0.357 120.095 120.400 0.087 0.000 2.194 254 D HA -0.161 4.444 4.640 -0.060 0.000 0.204 254 D C 1.776 178.125 176.300 0.082 0.000 0.964 254 D CA 1.214 55.260 54.000 0.075 0.000 0.846 254 D CB 0.119 40.946 40.800 0.045 0.000 0.962 254 D HN 0.610 nan 8.370 nan 0.000 0.490 255 E N -0.698 119.557 120.200 0.092 0.000 2.502 255 E HA -0.058 4.256 4.350 -0.060 0.000 0.194 255 E C 1.532 178.202 176.600 0.117 0.000 1.062 255 E CA 0.048 56.497 56.400 0.081 0.000 0.867 255 E CB -0.317 29.424 29.700 0.069 0.000 0.888 255 E HN 0.220 nan 8.360 nan 0.000 0.510 256 F N 1.548 121.500 119.950 0.004 0.000 2.262 256 F HA 0.295 4.785 4.527 -0.062 0.000 0.292 256 F C 2.172 177.969 175.800 -0.005 0.000 1.081 256 F CA 1.278 59.278 58.000 -0.001 0.000 1.355 256 F CB -0.346 38.645 39.000 -0.015 0.000 1.069 256 F HN 0.078 nan 8.300 nan 0.000 0.506 257 G N 0.715 109.576 108.800 0.102 0.000 2.476 257 G HA2 -0.368 3.556 3.960 -0.060 0.000 0.218 257 G HA3 -0.368 3.556 3.960 -0.060 0.000 0.218 257 G C 1.387 176.236 174.900 -0.084 0.000 1.164 257 G CA 1.226 46.323 45.100 -0.004 0.000 0.768 257 G HN 0.587 nan 8.290 nan 0.000 0.560 258 E N -0.411 119.762 120.200 -0.046 0.000 2.110 258 E HA -0.136 4.178 4.350 -0.060 0.000 0.193 258 E C 2.316 178.862 176.600 -0.090 0.000 0.988 258 E CA 1.157 57.526 56.400 -0.050 0.000 0.804 258 E CB -0.286 29.403 29.700 -0.018 0.000 0.745 258 E HN 0.288 nan 8.360 nan 0.000 0.458 259 Q N 0.103 119.823 119.800 -0.133 0.000 2.167 259 Q HA -0.033 4.271 4.340 -0.060 0.000 0.202 259 Q C 2.146 178.005 176.000 -0.235 0.000 0.970 259 Q CA 0.762 56.470 55.803 -0.160 0.000 0.855 259 Q CB -0.126 28.522 28.738 -0.150 0.000 0.911 259 Q HN 0.321 nan 8.270 nan 0.000 0.438 260 L N 0.084 121.092 121.223 -0.358 0.000 2.131 260 L HA -0.020 4.284 4.340 -0.060 0.000 0.206 260 L C 2.304 179.071 176.870 -0.172 0.000 1.087 260 L CA 1.374 56.016 54.840 -0.331 0.000 0.767 260 L CB -0.563 41.233 42.059 -0.438 0.000 0.917 260 L HN 0.062 nan 8.230 nan 0.000 0.441 261 S N -1.135 114.487 115.700 -0.131 0.000 2.428 261 S HA -0.179 4.255 4.470 -0.060 0.000 0.230 261 S C 2.078 176.639 174.600 -0.066 0.000 1.014 261 S CA 1.238 59.391 58.200 -0.078 0.000 0.957 261 S CB -0.096 63.071 63.200 -0.056 0.000 0.784 261 S HN 0.346 nan 8.310 nan 0.000 0.499 262 K N 0.762 121.118 120.400 -0.073 0.000 2.186 262 K HA 0.197 4.481 4.320 -0.060 0.000 0.202 262 K C 1.695 178.263 176.600 -0.053 0.000 1.052 262 K CA 1.066 57.321 56.287 -0.054 0.000 0.965 262 K CB -0.508 31.963 32.500 -0.049 0.000 0.746 262 K HN 0.232 nan 8.250 nan 0.000 0.457 263 V N 0.986 120.857 119.914 -0.071 0.000 2.548 263 V HA -0.141 3.943 4.120 -0.060 0.000 0.249 263 V C 2.130 178.190 176.094 -0.056 0.000 1.055 263 V CA 1.390 63.651 62.300 -0.065 0.000 1.065 263 V CB -0.289 31.485 31.823 -0.081 0.000 0.681 263 V HN 0.292 nan 8.190 nan 0.000 0.462 264 I N 0.945 121.480 120.570 -0.057 0.000 2.142 264 I HA -0.186 3.949 4.170 -0.060 0.000 0.240 264 I C 2.360 178.462 176.117 -0.025 0.000 1.078 264 I CA 2.002 63.277 61.300 -0.042 0.000 1.343 264 I CB -0.473 37.501 38.000 -0.044 0.000 1.046 264 I HN 0.480 nan 8.210 nan 0.000 0.405 265 S N 0.387 116.071 115.700 -0.026 0.000 2.660 265 S HA 0.039 4.473 4.470 -0.060 0.000 0.223 265 S C 1.633 176.233 174.600 0.000 0.000 0.963 265 S CA 0.108 58.300 58.200 -0.013 0.000 0.932 265 S CB -0.027 63.159 63.200 -0.024 0.000 0.775 265 S HN 0.348 nan 8.310 nan 0.000 0.531 266 L N 0.592 121.813 121.223 -0.004 0.000 2.425 266 L HA 0.437 4.741 4.340 -0.060 0.000 0.215 266 L C 1.764 178.649 176.870 0.025 0.000 1.065 266 L CA 0.860 55.704 54.840 0.006 0.000 0.842 266 L CB -0.421 41.630 42.059 -0.013 0.000 1.033 266 L HN 0.358 nan 8.230 nan 0.000 0.474 267 I N -0.875 119.700 120.570 0.009 0.000 2.500 267 I HA -0.216 3.918 4.170 -0.060 0.000 0.252 267 I C 2.196 178.395 176.117 0.136 0.000 1.142 267 I CA 0.460 61.779 61.300 0.030 0.000 1.451 267 I CB -0.215 37.762 38.000 -0.038 0.000 1.093 267 I HN 0.221 nan 8.210 nan 0.000 0.430 268 C N 0.335 119.697 119.300 0.104 0.000 2.511 268 C HA 0.043 4.467 4.460 -0.060 0.000 0.277 268 C C 2.201 177.376 174.990 0.308 0.000 1.451 268 C CA 0.312 59.422 59.018 0.152 0.000 1.735 268 C CB -1.003 26.774 27.740 0.063 0.000 1.704 268 C HN 0.354 nan 8.230 nan 0.000 0.571 269 V N -0.491 119.565 119.914 0.236 0.000 3.604 269 V HA 0.205 4.290 4.120 -0.060 0.000 0.277 269 V C 2.145 178.427 176.094 0.312 0.000 1.399 269 V CA 1.114 63.556 62.300 0.238 0.000 1.034 269 V CB -0.228 31.638 31.823 0.071 0.000 0.824 269 V HN 0.426 nan 8.190 nan 0.000 0.439 270 A N 0.219 123.212 122.820 0.289 0.000 1.975 270 A HA 0.010 4.294 4.320 -0.060 0.000 0.215 270 A C 2.165 180.009 177.584 0.435 0.000 1.170 270 A CA 1.362 53.583 52.037 0.307 0.000 0.656 270 A CB -0.219 18.907 19.000 0.211 0.000 0.821 270 A HN 0.271 nan 8.150 nan 0.000 0.449 271 V N -1.340 118.874 119.914 0.500 0.000 2.427 271 V HA -0.235 3.849 4.120 -0.060 0.000 0.248 271 V C 2.206 178.626 176.094 0.544 0.000 1.051 271 V CA 1.519 64.112 62.300 0.489 0.000 1.048 271 V CB -0.840 31.225 31.823 0.403 0.000 0.666 271 V HN 0.839 nan 8.190 nan 0.000 0.456 272 W N 0.114 121.670 121.300 0.428 0.000 2.358 272 W HA -0.103 4.521 4.660 -0.061 0.000 0.303 272 W C 2.082 178.722 176.519 0.202 0.000 1.208 272 W CA 1.279 58.780 57.345 0.260 0.000 1.274 272 W CB -0.182 29.372 29.460 0.158 0.000 1.138 272 W HN 0.232 nan 8.180 nan 0.000 0.515 273 L N 0.487 121.979 121.223 0.449 0.000 2.549 273 L HA -0.175 4.129 4.340 -0.060 0.000 0.229 273 L C 1.798 178.782 176.870 0.189 0.000 1.158 273 L CA 0.725 55.738 54.840 0.289 0.000 0.842 273 L CB -0.266 41.938 42.059 0.241 0.000 0.952 273 L HN -0.054 nan 8.230 nan 0.000 0.452 274 I N -2.045 118.636 120.570 0.184 0.000 3.939 274 I HA -0.067 4.067 4.170 -0.060 0.000 0.313 274 I C 1.250 177.388 176.117 0.036 0.000 1.274 274 I CA 0.377 61.737 61.300 0.099 0.000 1.301 274 I CB 0.034 38.082 38.000 0.081 0.000 1.105 274 I HN 0.191 nan 8.210 nan 0.000 0.427 275 N N 1.146 119.874 118.700 0.046 0.000 2.314 275 N HA 0.201 4.905 4.740 -0.060 0.000 0.200 275 N C 1.578 177.042 175.510 -0.076 0.000 1.135 275 N CA -0.023 53.008 53.050 -0.033 0.000 0.835 275 N CB 0.433 38.984 38.487 0.108 0.000 0.989 275 N HN 0.281 nan 8.380 nan 0.000 0.478 276 I N 0.200 120.767 120.570 -0.005 0.000 2.700 276 I HA -0.127 4.008 4.170 -0.060 0.000 0.261 276 I C 2.297 178.516 176.117 0.168 0.000 1.219 276 I CA 0.631 62.007 61.300 0.127 0.000 1.463 276 I CB -0.294 37.749 38.000 0.072 0.000 1.092 276 I HN 0.183 nan 8.210 nan 0.000 0.452 277 G N -0.257 108.535 108.800 -0.013 0.000 2.559 277 G HA2 -0.181 3.744 3.960 -0.060 0.000 0.216 277 G HA3 -0.181 3.744 3.960 -0.060 0.000 0.216 277 G C 1.384 176.227 174.900 -0.094 0.000 1.126 277 G CA 0.213 45.272 45.100 -0.069 0.000 0.778 277 G HN 0.410 nan 8.290 nan 0.000 0.543 278 H N -0.494 118.536 119.070 -0.066 0.000 2.524 278 H HA 0.063 4.583 4.556 -0.060 0.000 0.282 278 H C 1.686 176.880 175.328 -0.222 0.000 1.016 278 H CA 0.261 56.185 56.048 -0.207 0.000 1.270 278 H CB -0.039 29.508 29.762 -0.358 0.000 1.394 278 H HN 0.426 nan 8.280 nan 0.000 0.568 279 F N 0.716 120.638 119.950 -0.046 0.000 2.546 279 F HA -0.057 4.434 4.527 -0.060 0.000 0.298 279 F C 1.710 177.482 175.800 -0.047 0.000 1.120 279 F CA 0.583 58.553 58.000 -0.049 0.000 1.456 279 F CB 0.117 39.102 39.000 -0.025 0.000 1.088 279 F HN 0.087 nan 8.300 nan 0.000 0.572 280 N N -0.391 118.369 118.700 0.101 0.000 2.230 280 N HA -0.001 4.703 4.740 -0.060 0.000 0.202 280 N C -0.270 175.235 175.510 -0.009 0.000 1.119 280 N CA 0.231 53.305 53.050 0.039 0.000 0.851 280 N CB 0.026 38.525 38.487 0.021 0.000 0.990 280 N HN 0.173 nan 8.380 nan 0.000 0.497 281 D N 1.775 122.154 120.400 -0.035 0.000 2.354 281 D HA 0.206 4.811 4.640 -0.060 0.000 0.247 281 D C -1.767 174.493 176.300 -0.067 0.000 1.138 281 D CA -0.933 53.031 54.000 -0.059 0.000 0.958 281 D CB 0.765 41.521 40.800 -0.074 0.000 1.144 281 D HN 0.089 nan 8.370 nan 0.000 0.458 282 P HA -0.033 nan 4.420 nan 0.000 0.269 282 P C 0.958 178.207 177.300 -0.085 0.000 1.209 282 P CA -0.334 62.745 63.100 -0.035 0.000 0.776 282 P CB 1.023 32.721 31.700 -0.003 0.000 0.876 283 V N 2.691 122.553 119.914 -0.087 0.000 2.392 283 V HA -0.191 3.894 4.120 -0.060 0.000 0.249 283 V C 0.506 176.401 176.094 -0.333 0.000 1.059 283 V CA 1.764 63.930 62.300 -0.223 0.000 1.051 283 V CB -1.107 30.554 31.823 -0.270 0.000 0.658 283 V HN 0.588 nan 8.190 nan 0.000 0.455 284 H N -0.241 118.811 119.070 -0.029 0.000 2.458 284 H HA 0.692 5.212 4.556 -0.060 0.000 0.330 284 H C 0.304 175.604 175.328 -0.047 0.000 1.111 284 H CA 0.338 56.373 56.048 -0.021 0.000 1.245 284 H CB 1.285 31.043 29.762 -0.006 0.000 1.456 284 H HN 0.628 nan 8.280 nan 0.000 0.488 285 G N 0.647 109.479 108.800 0.053 0.000 2.406 285 G HA2 0.429 4.353 3.960 -0.060 0.000 0.680 285 G HA3 0.429 4.353 3.960 -0.060 0.000 0.680 285 G C 0.070 174.931 174.900 -0.065 0.000 1.338 285 G CA -0.238 44.860 45.100 -0.004 0.000 0.941 285 G HN 1.200 nan 8.290 nan 0.000 0.633 286 G N -0.802 107.960 108.800 -0.064 0.000 2.801 286 G HA2 0.263 4.188 3.960 -0.060 0.000 0.244 286 G HA3 0.263 4.188 3.960 -0.060 0.000 0.244 286 G C 0.381 175.226 174.900 -0.092 0.000 1.385 286 G CA 0.707 45.746 45.100 -0.103 0.000 0.894 286 G HN 2.125 nan 8.290 nan 0.000 0.562 287 S N -0.267 115.366 115.700 -0.112 0.000 2.520 287 S HA 0.436 4.870 4.470 -0.060 0.000 0.324 287 S C 0.902 175.488 174.600 -0.023 0.000 1.069 287 S CA 0.317 58.495 58.200 -0.036 0.000 1.121 287 S CB 0.217 63.406 63.200 -0.019 0.000 0.971 287 S HN 0.553 nan 8.310 nan 0.000 0.463 288 W N 4.208 125.458 121.300 -0.084 0.000 1.787 288 W HA -0.261 4.363 4.660 -0.059 0.000 0.292 288 W C 2.136 178.609 176.519 -0.077 0.000 0.998 288 W CA 1.183 58.476 57.345 -0.088 0.000 0.976 288 W CB -0.365 29.050 29.460 -0.074 0.000 1.086 288 W HN 0.700 nan 8.180 nan 0.000 0.510 289 I N 1.287 122.070 120.570 0.355 0.000 2.244 289 I HA -0.444 3.691 4.170 -0.060 0.000 0.252 289 I C 2.351 178.523 176.117 0.092 0.000 1.062 289 I CA 1.925 63.317 61.300 0.152 0.000 1.342 289 I CB -0.578 37.463 38.000 0.069 0.000 1.031 289 I HN 0.096 nan 8.210 nan 0.000 0.433 290 R N 0.088 120.637 120.500 0.081 0.000 2.092 290 R HA -0.037 4.267 4.340 -0.060 0.000 0.231 290 R C 2.275 178.602 176.300 0.046 0.000 1.119 290 R CA 1.179 57.303 56.100 0.041 0.000 0.970 290 R CB -1.168 29.137 30.300 0.010 0.000 0.864 290 R HN 0.590 nan 8.270 nan 0.000 0.440 291 G N 0.876 109.679 108.800 0.005 0.000 2.446 291 G HA2 -0.274 3.650 3.960 -0.060 0.000 0.217 291 G HA3 -0.274 3.650 3.960 -0.060 0.000 0.217 291 G C 1.600 176.619 174.900 0.198 0.000 1.168 291 G CA 1.056 46.162 45.100 0.010 0.000 0.771 291 G HN 0.412 nan 8.290 nan 0.000 0.551 292 A N 0.789 123.632 122.820 0.038 0.000 1.883 292 A HA -0.000 4.284 4.320 -0.060 0.000 0.217 292 A C 2.421 179.711 177.584 -0.490 0.000 1.186 292 A CA 1.411 53.333 52.037 -0.193 0.000 0.624 292 A CB -0.412 18.474 19.000 -0.191 0.000 0.822 292 A HN 0.379 nan 8.150 nan 0.000 0.444 293 I N -0.777 119.646 120.570 -0.245 0.000 2.286 293 I HA -0.300 3.835 4.170 -0.060 0.000 0.248 293 I C 2.581 178.717 176.117 0.031 0.000 1.115 293 I CA 1.911 63.114 61.300 -0.163 0.000 1.392 293 I CB -0.609 37.394 38.000 0.006 0.000 1.065 293 I HN 0.728 nan 8.210 nan 0.000 0.418 294 Y N 0.821 121.124 120.300 0.006 0.000 2.036 294 Y HA -0.376 4.137 4.550 -0.061 0.000 0.273 294 Y C 2.535 178.569 175.900 0.224 0.000 1.135 294 Y CA 1.440 59.594 58.100 0.091 0.000 1.106 294 Y CB -1.626 36.861 38.460 0.045 0.000 0.976 294 Y HN 0.055 nan 8.280 nan 0.000 0.483 295 Y N -0.326 119.334 120.300 -1.066 0.000 2.516 295 Y HA -0.250 4.265 4.550 -0.059 0.000 0.284 295 Y C 1.080 177.072 175.900 0.154 0.000 1.166 295 Y CA 1.179 58.894 58.100 -0.642 0.000 1.350 295 Y CB -0.346 37.807 38.460 -0.512 0.000 0.967 295 Y HN 0.271 nan 8.280 nan 0.000 0.568 296 F N -1.207 118.709 119.950 -0.057 0.000 2.746 296 F HA 0.134 4.625 4.527 -0.060 0.000 0.297 296 F C 1.891 177.699 175.800 0.013 0.000 1.113 296 F CA 0.168 58.177 58.000 0.014 0.000 1.367 296 F CB -0.216 38.834 39.000 0.083 0.000 1.111 296 F HN -0.127 nan 8.300 nan 0.000 0.590 297 K N 0.607 121.124 120.400 0.194 0.000 2.137 297 K HA 0.025 4.309 4.320 -0.060 0.000 0.202 297 K C 2.037 178.677 176.600 0.068 0.000 1.052 297 K CA 1.147 57.514 56.287 0.134 0.000 0.961 297 K CB -0.014 32.572 32.500 0.142 0.000 0.741 297 K HN 0.265 nan 8.250 nan 0.000 0.452 298 I N -2.113 118.463 120.570 0.010 0.000 2.500 298 I HA -0.031 4.104 4.170 -0.060 0.000 0.252 298 I C 2.246 178.316 176.117 -0.079 0.000 1.142 298 I CA 0.919 62.196 61.300 -0.038 0.000 1.451 298 I CB -0.487 37.461 38.000 -0.087 0.000 1.093 298 I HN -0.103 nan 8.210 nan 0.000 0.430 299 A N 1.961 124.703 122.820 -0.129 0.000 1.858 299 A HA -0.104 4.180 4.320 -0.060 0.000 0.216 299 A C 2.462 180.014 177.584 -0.053 0.000 1.190 299 A CA 2.223 54.185 52.037 -0.126 0.000 0.617 299 A CB -1.155 17.741 19.000 -0.175 0.000 0.827 299 A HN 0.297 nan 8.150 nan 0.000 0.443 300 V N -0.112 119.794 119.914 -0.014 0.000 2.343 300 V HA -0.258 3.826 4.120 -0.060 0.000 0.247 300 V C 3.045 179.158 176.094 0.033 0.000 1.051 300 V CA 1.984 64.297 62.300 0.022 0.000 1.036 300 V CB -1.190 30.672 31.823 0.064 0.000 0.654 300 V HN 0.634 nan 8.190 nan 0.000 0.451 301 A N -0.571 122.270 122.820 0.036 0.000 1.902 301 A HA -0.138 4.146 4.320 -0.060 0.000 0.217 301 A C 2.195 179.799 177.584 0.034 0.000 1.181 301 A CA 1.471 53.535 52.037 0.045 0.000 0.623 301 A CB -0.481 18.549 19.000 0.050 0.000 0.818 301 A HN 0.393 nan 8.150 nan 0.000 0.443 302 L N -0.634 120.599 121.223 0.016 0.000 2.201 302 L HA -0.069 4.236 4.340 -0.060 0.000 0.212 302 L C 2.763 179.636 176.870 0.004 0.000 1.105 302 L CA 1.842 56.690 54.840 0.013 0.000 0.775 302 L CB -1.354 40.705 42.059 0.001 0.000 0.913 302 L HN 0.442 nan 8.230 nan 0.000 0.440 303 A N -0.721 122.099 122.820 0.001 0.000 1.858 303 A HA -0.161 4.124 4.320 -0.060 0.000 0.216 303 A C 2.234 179.828 177.584 0.016 0.000 1.190 303 A CA 2.000 54.039 52.037 0.002 0.000 0.617 303 A CB -0.761 18.241 19.000 0.003 0.000 0.827 303 A HN 0.235 nan 8.150 nan 0.000 0.443 304 V N -0.380 119.552 119.914 0.030 0.000 2.871 304 V HA -0.062 4.022 4.120 -0.060 0.000 0.256 304 V C 2.759 178.875 176.094 0.035 0.000 1.082 304 V CA 1.415 63.740 62.300 0.041 0.000 1.105 304 V CB -0.755 31.105 31.823 0.060 0.000 0.713 304 V HN 0.602 nan 8.190 nan 0.000 0.473 305 A N -0.321 122.517 122.820 0.030 0.000 2.067 305 A HA 0.274 4.559 4.320 -0.060 0.000 0.217 305 A C 2.178 179.768 177.584 0.011 0.000 1.156 305 A CA 1.430 53.482 52.037 0.025 0.000 0.683 305 A CB -0.184 18.835 19.000 0.032 0.000 0.808 305 A HN 0.522 nan 8.150 nan 0.000 0.455 306 A N -0.975 121.849 122.820 0.006 0.000 2.167 306 A HA 0.456 4.740 4.320 -0.060 0.000 0.208 306 A C 0.806 178.397 177.584 0.013 0.000 1.198 306 A CA -0.125 51.910 52.037 -0.003 0.000 0.863 306 A CB -0.155 18.831 19.000 -0.024 0.000 0.904 306 A HN 0.294 nan 8.150 nan 0.000 0.484 307 I N -0.075 120.506 120.570 0.019 0.000 3.434 307 I HA 0.105 4.239 4.170 -0.060 0.000 0.212 307 I C -1.674 174.463 176.117 0.032 0.000 1.348 307 I CA -0.827 60.495 61.300 0.036 0.000 0.948 307 I CB -0.067 37.952 38.000 0.032 0.000 1.607 307 I HN 0.147 nan 8.210 nan 0.000 0.907 308 P HA 0.105 nan 4.420 nan 0.000 0.527 308 P C 0.045 177.353 177.300 0.013 0.000 1.122 308 P CA 0.011 63.117 63.100 0.009 0.000 2.391 308 P CB 0.893 32.603 31.700 0.017 0.000 1.264 309 E N 0.573 120.788 120.200 0.024 0.000 3.780 309 E HA -0.340 3.974 4.350 -0.060 0.000 0.213 309 E C 1.820 178.429 176.600 0.014 0.000 1.128 309 E CA 2.770 59.183 56.400 0.021 0.000 1.859 309 E CB -2.676 27.040 29.700 0.026 0.000 1.756 309 E HN 0.391 nan 8.360 nan 0.000 0.308 310 G N 0.410 109.213 108.800 0.005 0.000 2.459 310 G HA2 -0.222 3.702 3.960 -0.060 0.000 0.217 310 G HA3 -0.222 3.702 3.960 -0.060 0.000 0.217 310 G C 1.383 176.298 174.900 0.025 0.000 1.183 310 G CA 1.291 46.392 45.100 0.001 0.000 0.776 310 G HN 0.248 nan 8.290 nan 0.000 0.552 311 L N 1.624 122.875 121.223 0.048 0.000 2.331 311 L HA -0.262 4.042 4.340 -0.060 0.000 0.245 311 L C 0.314 177.231 176.870 0.078 0.000 1.126 311 L CA 3.449 58.341 54.840 0.087 0.000 0.834 311 L CB -1.437 40.650 42.059 0.045 0.000 0.982 311 L HN 0.181 nan 8.230 nan 0.000 0.432 312 P HA -0.298 nan 4.420 nan 0.000 0.218 312 P C 1.523 178.838 177.300 0.024 0.000 1.165 312 P CA 2.835 65.953 63.100 0.029 0.000 0.922 312 P CB -0.353 31.353 31.700 0.009 0.000 0.794 313 A N -1.107 121.720 122.820 0.011 0.000 1.917 313 A HA -0.206 4.078 4.320 -0.060 0.000 0.219 313 A C 2.321 179.892 177.584 -0.021 0.000 1.182 313 A CA 2.411 54.446 52.037 -0.003 0.000 0.633 313 A CB -1.757 17.235 19.000 -0.012 0.000 0.819 313 A HN 0.084 nan 8.150 nan 0.000 0.448 314 V N -0.040 119.857 119.914 -0.028 0.000 2.270 314 V HA -0.244 3.841 4.120 -0.060 0.000 0.245 314 V C 2.370 178.396 176.094 -0.112 0.000 1.043 314 V CA 1.787 64.012 62.300 -0.125 0.000 1.014 314 V CB -0.853 30.864 31.823 -0.177 0.000 0.645 314 V HN 0.560 nan 8.190 nan 0.000 0.447 315 I N 0.483 121.096 120.570 0.071 0.000 2.068 315 I HA -0.358 3.776 4.170 -0.060 0.000 0.238 315 I C 2.695 178.842 176.117 0.050 0.000 1.046 315 I CA 2.425 63.814 61.300 0.148 0.000 1.306 315 I CB -0.695 37.396 38.000 0.151 0.000 1.023 315 I HN 0.354 nan 8.210 nan 0.000 0.399 316 T N 0.027 114.599 114.554 0.030 0.000 2.685 316 T HA -0.240 4.074 4.350 -0.060 0.000 0.268 316 T C 1.752 176.452 174.700 -0.001 0.000 1.034 316 T CA 2.210 64.318 62.100 0.015 0.000 1.149 316 T CB -0.594 68.284 68.868 0.015 0.000 0.860 316 T HN 0.456 nan 8.240 nan 0.000 0.449 317 T N 0.819 115.362 114.554 -0.017 0.000 2.746 317 T HA -0.153 4.161 4.350 -0.060 0.000 0.267 317 T C 2.277 176.957 174.700 -0.033 0.000 1.039 317 T CA 1.275 63.361 62.100 -0.023 0.000 1.142 317 T CB -0.896 67.950 68.868 -0.037 0.000 0.866 317 T HN 0.561 nan 8.240 nan 0.000 0.444 318 C N 1.088 120.356 119.300 -0.053 0.000 2.453 318 C HA 0.016 4.440 4.460 -0.060 0.000 0.277 318 C C 2.507 177.477 174.990 -0.033 0.000 1.262 318 C CA 0.395 59.381 59.018 -0.054 0.000 1.718 318 C CB -1.456 26.258 27.740 -0.043 0.000 2.031 318 C HN 0.359 nan 8.230 nan 0.000 0.480 319 L N 1.698 122.918 121.223 -0.004 0.000 2.056 319 L HA 0.051 4.355 4.340 -0.060 0.000 0.207 319 L C 2.873 179.725 176.870 -0.029 0.000 1.078 319 L CA 2.322 57.157 54.840 -0.008 0.000 0.749 319 L CB -1.370 40.695 42.059 0.009 0.000 0.901 319 L HN 0.416 nan 8.230 nan 0.000 0.433 320 A N -1.466 121.338 122.820 -0.026 0.000 2.067 320 A HA -0.080 4.204 4.320 -0.060 0.000 0.219 320 A C 2.254 179.808 177.584 -0.050 0.000 1.158 320 A CA 1.035 53.054 52.037 -0.030 0.000 0.661 320 A CB -0.560 18.431 19.000 -0.015 0.000 0.801 320 A HN 0.392 nan 8.150 nan 0.000 0.452 321 L N -1.306 119.874 121.223 -0.070 0.000 2.446 321 L HA 0.053 4.357 4.340 -0.060 0.000 0.219 321 L C 2.514 179.291 176.870 -0.155 0.000 1.116 321 L CA 0.565 55.331 54.840 -0.124 0.000 0.844 321 L CB -0.122 41.836 42.059 -0.168 0.000 0.970 321 L HN 0.479 nan 8.230 nan 0.000 0.457 322 G N -1.051 107.681 108.800 -0.114 0.000 2.411 322 G HA2 -0.160 3.764 3.960 -0.060 0.000 0.213 322 G HA3 -0.160 3.764 3.960 -0.060 0.000 0.213 322 G C 1.518 176.368 174.900 -0.083 0.000 1.166 322 G CA 0.866 45.904 45.100 -0.103 0.000 0.802 322 G HN 0.172 nan 8.290 nan 0.000 0.533 323 T N 0.971 115.486 114.554 -0.065 0.000 2.635 323 T HA -0.133 4.181 4.350 -0.060 0.000 0.267 323 T C 2.419 177.083 174.700 -0.061 0.000 1.040 323 T CA 1.183 63.249 62.100 -0.055 0.000 1.156 323 T CB -0.200 68.641 68.868 -0.045 0.000 0.863 323 T HN 0.189 nan 8.240 nan 0.000 0.430 324 R N 0.411 120.872 120.500 -0.065 0.000 2.200 324 R HA -0.019 4.285 4.340 -0.060 0.000 0.234 324 R C 2.538 178.792 176.300 -0.078 0.000 1.127 324 R CA 0.933 56.994 56.100 -0.065 0.000 0.989 324 R CB -0.145 30.117 30.300 -0.064 0.000 0.869 324 R HN 0.286 nan 8.270 nan 0.000 0.459 325 R N -0.084 120.359 120.500 -0.096 0.000 2.189 325 R HA 0.120 4.425 4.340 -0.060 0.000 0.203 325 R C 1.882 178.131 176.300 -0.086 0.000 1.012 325 R CA 0.431 56.466 56.100 -0.108 0.000 1.015 325 R CB 0.281 30.492 30.300 -0.147 0.000 0.938 325 R HN 0.131 nan 8.270 nan 0.000 0.472 326 M N -0.797 118.758 119.600 -0.074 0.000 2.476 326 M HA 0.131 4.575 4.480 -0.060 0.000 0.262 326 M C 2.109 178.376 176.300 -0.056 0.000 1.111 326 M CA 0.674 55.936 55.300 -0.064 0.000 1.127 326 M CB 0.332 32.896 32.600 -0.060 0.000 1.376 326 M HN 0.150 nan 8.290 nan 0.000 0.465 327 A N 0.539 123.328 122.820 -0.053 0.000 2.015 327 A HA -0.105 4.180 4.320 -0.060 0.000 0.219 327 A C 2.140 179.699 177.584 -0.041 0.000 1.163 327 A CA 1.284 53.295 52.037 -0.044 0.000 0.646 327 A CB -0.321 18.654 19.000 -0.041 0.000 0.806 327 A HN 0.227 nan 8.150 nan 0.000 0.448 328 K N 0.041 120.413 120.400 -0.046 0.000 2.211 328 K HA -0.036 4.248 4.320 -0.060 0.000 0.203 328 K C 0.962 177.538 176.600 -0.040 0.000 1.050 328 K CA 1.140 57.402 56.287 -0.042 0.000 0.945 328 K CB -0.118 32.353 32.500 -0.048 0.000 0.732 328 K HN 0.455 nan 8.250 nan 0.000 0.451 329 K N 0.788 121.161 120.400 -0.045 0.000 2.446 329 K HA 0.106 4.390 4.320 -0.060 0.000 0.203 329 K C -0.192 176.382 176.600 -0.043 0.000 1.027 329 K CA -0.075 56.186 56.287 -0.044 0.000 1.166 329 K CB 0.303 32.772 32.500 -0.052 0.000 0.869 329 K HN 0.077 nan 8.250 nan 0.000 0.504 330 N N -0.943 117.735 118.700 -0.038 0.000 2.979 330 N HA -0.154 4.550 4.740 -0.060 0.000 0.234 330 N C -0.686 174.801 175.510 -0.038 0.000 0.938 330 N CA 1.060 54.090 53.050 -0.033 0.000 0.961 330 N CB -1.192 37.277 38.487 -0.029 0.000 1.089 330 N HN 0.273 nan 8.380 nan 0.000 0.576 331 A N 1.226 124.019 122.820 -0.045 0.000 2.294 331 A HA 0.592 4.877 4.320 -0.060 0.000 0.316 331 A C 0.605 178.163 177.584 -0.042 0.000 1.359 331 A CA -0.354 51.655 52.037 -0.047 0.000 0.956 331 A CB 0.089 19.055 19.000 -0.057 0.000 1.155 331 A HN 0.257 nan 8.150 nan 0.000 0.544 332 I N 3.760 124.308 120.570 -0.037 0.000 2.347 332 I HA 0.108 4.243 4.170 -0.060 0.000 0.294 332 I C -0.440 175.655 176.117 -0.036 0.000 1.090 332 I CA -0.115 61.164 61.300 -0.035 0.000 1.314 332 I CB 0.946 38.928 38.000 -0.030 0.000 1.423 332 I HN 0.264 nan 8.210 nan 0.000 0.503 333 V N 8.114 128.005 119.914 -0.038 0.000 2.383 333 V HA 0.279 4.363 4.120 -0.060 0.000 0.275 333 V C 0.937 177.009 176.094 -0.036 0.000 1.036 333 V CA -0.394 61.884 62.300 -0.037 0.000 0.889 333 V CB 1.220 33.021 31.823 -0.037 0.000 0.985 333 V HN 0.754 nan 8.190 nan 0.000 0.459 334 R N 2.283 122.762 120.500 -0.035 0.000 2.051 334 R HA 0.110 4.415 4.340 -0.060 0.000 0.218 334 R C 1.261 177.537 176.300 -0.040 0.000 1.188 334 R CA 0.457 56.533 56.100 -0.039 0.000 0.992 334 R CB -0.273 30.004 30.300 -0.037 0.000 0.883 334 R HN 0.585 nan 8.270 nan 0.000 0.444 335 S N 1.943 117.622 115.700 -0.036 0.000 2.596 335 S HA -0.019 4.415 4.470 -0.060 0.000 0.298 335 S C 1.480 176.063 174.600 -0.028 0.000 1.255 335 S CA -0.500 57.681 58.200 -0.032 0.000 1.083 335 S CB 0.255 63.439 63.200 -0.027 0.000 0.837 335 S HN 0.191 nan 8.310 nan 0.000 0.499 336 L N 6.780 127.987 121.223 -0.027 0.000 1.955 336 L HA -0.027 4.278 4.340 -0.060 0.000 0.213 336 L C -0.470 176.394 176.870 -0.010 0.000 1.072 336 L CA 2.262 57.090 54.840 -0.020 0.000 0.755 336 L CB -2.704 39.345 42.059 -0.016 0.000 0.888 336 L HN 0.563 nan 8.230 nan 0.000 0.432 337 P HA -0.088 nan 4.420 nan 0.000 0.221 337 P C 1.774 179.077 177.300 0.004 0.000 1.145 337 P CA 1.008 64.112 63.100 0.006 0.000 0.795 337 P CB -0.035 31.668 31.700 0.005 0.000 0.775 338 S N -0.429 115.267 115.700 -0.007 0.000 2.461 338 S HA -0.154 4.280 4.470 -0.060 0.000 0.249 338 S C 1.791 176.384 174.600 -0.011 0.000 1.012 338 S CA 1.516 59.709 58.200 -0.012 0.000 0.982 338 S CB -1.261 61.927 63.200 -0.020 0.000 0.764 338 S HN 0.207 nan 8.310 nan 0.000 0.506 339 V N 0.845 120.756 119.914 -0.004 0.000 2.719 339 V HA -0.059 4.025 4.120 -0.060 0.000 0.252 339 V C 2.105 178.210 176.094 0.018 0.000 1.065 339 V CA 1.710 64.009 62.300 -0.003 0.000 1.086 339 V CB -0.725 31.095 31.823 -0.005 0.000 0.700 339 V HN 0.548 nan 8.190 nan 0.000 0.467 340 E N 1.928 122.150 120.200 0.038 0.000 2.086 340 E HA -0.142 4.172 4.350 -0.060 0.000 0.190 340 E C 2.214 178.829 176.600 0.024 0.000 0.975 340 E CA 1.838 58.287 56.400 0.083 0.000 0.813 340 E CB -1.148 28.626 29.700 0.124 0.000 0.768 340 E HN 0.526 nan 8.360 nan 0.000 0.457 341 T N -0.440 114.113 114.554 -0.001 0.000 2.915 341 T HA -0.073 4.241 4.350 -0.060 0.000 0.269 341 T C 1.682 176.354 174.700 -0.048 0.000 1.071 341 T CA 1.024 63.104 62.100 -0.033 0.000 1.132 341 T CB -0.408 68.447 68.868 -0.021 0.000 0.878 341 T HN 0.178 nan 8.240 nan 0.000 0.479 342 L N 1.369 122.570 121.223 -0.035 0.000 2.263 342 L HA 0.152 4.456 4.340 -0.060 0.000 0.216 342 L C 2.446 179.281 176.870 -0.058 0.000 1.111 342 L CA 1.802 56.616 54.840 -0.043 0.000 0.773 342 L CB -1.098 40.940 42.059 -0.036 0.000 0.906 342 L HN 0.466 nan 8.230 nan 0.000 0.439 343 G N -2.423 106.334 108.800 -0.071 0.000 2.551 343 G HA2 -0.129 3.795 3.960 -0.060 0.000 0.216 343 G HA3 -0.129 3.795 3.960 -0.060 0.000 0.216 343 G C 1.099 175.902 174.900 -0.163 0.000 1.137 343 G CA 0.654 45.693 45.100 -0.103 0.000 0.798 343 G HN 0.549 nan 8.290 nan 0.000 0.536 344 C N 1.114 120.314 119.300 -0.167 0.000 2.780 344 C HA 0.310 4.734 4.460 -0.060 0.000 0.287 344 C C 1.083 176.021 174.990 -0.087 0.000 1.288 344 C CA -1.197 57.728 59.018 -0.155 0.000 1.713 344 C CB -1.394 26.241 27.740 -0.175 0.000 1.955 344 C HN 0.152 nan 8.230 nan 0.000 0.613 345 T N 2.177 116.690 114.554 -0.070 0.000 2.750 345 T HA -0.025 4.289 4.350 -0.060 0.000 0.277 345 T C 1.265 175.946 174.700 -0.032 0.000 0.996 345 T CA 1.019 63.093 62.100 -0.044 0.000 1.195 345 T CB 0.655 69.496 68.868 -0.044 0.000 0.963 345 T HN 0.636 nan 8.240 nan 0.000 0.516 346 S N 3.173 118.865 115.700 -0.015 0.000 2.441 346 S HA 0.213 4.647 4.470 -0.060 0.000 0.224 346 S C 0.533 175.139 174.600 0.010 0.000 1.043 346 S CA 0.076 58.274 58.200 -0.003 0.000 0.948 346 S CB 0.423 63.628 63.200 0.008 0.000 0.810 346 S HN 0.467 nan 8.310 nan 0.000 0.504 347 V N 1.621 121.548 119.914 0.020 0.000 2.925 347 V HA 0.566 4.650 4.120 -0.060 0.000 0.311 347 V C -1.218 174.903 176.094 0.044 0.000 1.104 347 V CA -0.770 61.552 62.300 0.037 0.000 0.954 347 V CB 2.028 33.883 31.823 0.053 0.000 1.022 347 V HN 0.296 nan 8.190 nan 0.000 0.427 348 I N 3.010 123.619 120.570 0.066 0.000 2.468 348 I HA 0.403 4.537 4.170 -0.060 0.000 0.285 348 I C -0.811 175.376 176.117 0.117 0.000 1.039 348 I CA -0.242 61.113 61.300 0.092 0.000 1.074 348 I CB 1.684 39.761 38.000 0.128 0.000 1.228 348 I HN 0.539 nan 8.210 nan 0.000 0.436 349 C N 3.963 123.324 119.300 0.100 0.000 2.255 349 C HA 0.605 5.029 4.460 -0.060 0.000 0.326 349 C C 0.692 175.745 174.990 0.105 0.000 1.258 349 C CA -0.581 58.496 59.018 0.099 0.000 1.676 349 C CB 0.201 27.991 27.740 0.084 0.000 2.314 349 C HN 0.762 nan 8.230 nan 0.000 0.509 350 S N 1.398 117.159 115.700 0.102 0.000 2.532 350 S HA 0.453 4.887 4.470 -0.060 0.000 0.301 350 S C -0.616 174.008 174.600 0.040 0.000 1.083 350 S CA -0.431 57.831 58.200 0.103 0.000 1.025 350 S CB 0.667 63.971 63.200 0.174 0.000 1.056 350 S HN 0.754 nan 8.310 nan 0.000 0.494 351 D N 2.483 122.907 120.400 0.041 0.000 2.362 351 D HA 0.183 4.787 4.640 -0.060 0.000 0.242 351 D C 0.886 177.182 176.300 -0.006 0.000 1.132 351 D CA -0.084 53.928 54.000 0.019 0.000 0.907 351 D CB 0.786 41.599 40.800 0.023 0.000 1.195 351 D HN 0.485 nan 8.370 nan 0.000 0.429 352 K N 0.235 120.625 120.400 -0.016 0.000 1.997 352 K HA -0.022 4.262 4.320 -0.060 0.000 0.212 352 K C 0.135 176.721 176.600 -0.023 0.000 1.033 352 K CA 0.467 56.731 56.287 -0.039 0.000 0.950 352 K CB -0.303 32.175 32.500 -0.037 0.000 0.751 352 K HN 0.582 nan 8.250 nan 0.000 0.444 353 T N -0.156 114.392 114.554 -0.009 0.000 2.903 353 T HA 0.126 4.440 4.350 -0.060 0.000 0.299 353 T C 1.080 175.785 174.700 0.008 0.000 1.041 353 T CA 0.451 62.551 62.100 -0.000 0.000 1.138 353 T CB 0.391 69.261 68.868 0.004 0.000 1.040 353 T HN 0.657 nan 8.240 nan 0.000 0.524 354 G N 2.597 111.405 108.800 0.014 0.000 2.304 354 G HA2 -0.340 3.584 3.960 -0.060 0.000 0.252 354 G HA3 -0.340 3.584 3.960 -0.060 0.000 0.252 354 G C 0.857 175.778 174.900 0.035 0.000 1.014 354 G CA 0.755 45.869 45.100 0.024 0.000 0.619 354 G HN 0.866 nan 8.290 nan 0.000 0.525 355 T N 0.019 114.596 114.554 0.038 0.000 3.286 355 T HA 0.315 4.629 4.350 -0.060 0.000 0.237 355 T C 2.089 176.831 174.700 0.070 0.000 0.969 355 T CA 1.017 63.164 62.100 0.078 0.000 1.298 355 T CB -0.206 68.726 68.868 0.106 0.000 1.053 355 T HN 0.078 nan 8.240 nan 0.000 0.402 356 L N 2.009 123.221 121.223 -0.019 0.000 2.141 356 L HA 0.142 4.447 4.340 -0.060 0.000 0.209 356 L C 1.578 178.417 176.870 -0.053 0.000 1.094 356 L CA 1.214 55.990 54.840 -0.106 0.000 0.763 356 L CB -0.858 41.068 42.059 -0.221 0.000 0.908 356 L HN 0.508 nan 8.230 nan 0.000 0.437 357 T N -6.094 108.443 114.554 -0.029 0.000 2.927 357 T HA 0.384 4.698 4.350 -0.060 0.000 0.286 357 T C 0.865 175.566 174.700 0.002 0.000 1.040 357 T CA 0.079 62.168 62.100 -0.019 0.000 1.010 357 T CB 1.463 70.316 68.868 -0.025 0.000 1.177 357 T HN 0.085 nan 8.240 nan 0.000 0.546 358 T N -1.904 112.652 114.554 0.003 0.000 3.086 358 T HA 0.225 4.539 4.350 -0.060 0.000 0.250 358 T C 0.916 175.634 174.700 0.030 0.000 1.074 358 T CA 0.235 62.345 62.100 0.017 0.000 0.988 358 T CB -1.075 67.800 68.868 0.011 0.000 0.988 358 T HN 0.887 nan 8.240 nan 0.000 0.530 359 N N 0.347 119.062 118.700 0.026 0.000 2.678 359 N HA -0.197 4.507 4.740 -0.060 0.000 0.249 359 N C -0.732 174.828 175.510 0.083 0.000 1.119 359 N CA 0.207 53.285 53.050 0.047 0.000 0.718 359 N CB -0.479 38.039 38.487 0.051 0.000 1.060 359 N HN 0.407 nan 8.380 nan 0.000 0.552 360 Q N 0.948 120.772 119.800 0.039 0.000 2.901 360 Q HA 0.326 4.630 4.340 -0.060 0.000 0.265 360 Q C -0.381 175.527 176.000 -0.154 0.000 1.263 360 Q CA -0.114 55.685 55.803 -0.006 0.000 1.088 360 Q CB 0.503 29.226 28.738 -0.025 0.000 1.339 360 Q HN 0.362 nan 8.270 nan 0.000 0.546 361 M N 1.431 120.964 119.600 -0.111 0.000 2.217 361 M HA 0.223 4.667 4.480 -0.060 0.000 0.352 361 M C -0.534 175.602 176.300 -0.274 0.000 1.376 361 M CA 0.370 55.598 55.300 -0.121 0.000 1.107 361 M CB 0.473 33.074 32.600 0.001 0.000 1.723 361 M HN 0.379 nan 8.290 nan 0.000 0.461 362 S N 4.165 119.741 115.700 -0.206 0.000 2.540 362 S HA 0.673 5.107 4.470 -0.060 0.000 0.275 362 S C -0.951 173.574 174.600 -0.125 0.000 1.123 362 S CA -1.113 56.966 58.200 -0.203 0.000 0.907 362 S CB 1.252 64.297 63.200 -0.259 0.000 1.081 362 S HN 0.538 nan 8.310 nan 0.000 0.476 363 V N 2.213 122.067 119.914 -0.100 0.000 2.715 363 V HA 0.318 4.402 4.120 -0.060 0.000 0.299 363 V C 1.036 177.071 176.094 -0.099 0.000 1.054 363 V CA 0.154 62.407 62.300 -0.077 0.000 1.077 363 V CB 0.611 32.400 31.823 -0.056 0.000 0.972 363 V HN 1.402 nan 8.190 nan 0.000 0.484 364 C N 2.040 121.268 119.300 -0.119 0.000 3.843 364 C HA 0.558 4.982 4.460 -0.060 0.000 0.305 364 C C -0.190 174.676 174.990 -0.206 0.000 2.482 364 C CA -0.915 58.018 59.018 -0.142 0.000 1.563 364 C CB -1.291 26.363 27.740 -0.144 0.000 3.238 364 C HN 0.788 nan 8.230 nan 0.000 0.423 365 K N 1.382 121.637 120.400 -0.243 0.000 2.568 365 K HA 0.769 5.053 4.320 -0.060 0.000 0.273 365 K C -1.271 175.308 176.600 -0.035 0.000 0.951 365 K CA -0.235 55.844 56.287 -0.346 0.000 0.854 365 K CB 2.390 34.230 32.500 -1.101 0.000 1.424 365 K HN 0.587 nan 8.250 nan 0.000 0.427 366 M N 0.652 120.444 119.600 0.320 0.000 2.605 366 M HA 0.619 5.064 4.480 -0.060 0.000 0.281 366 M C -1.707 174.973 176.300 0.633 0.000 1.166 366 M CA -1.012 54.561 55.300 0.455 0.000 0.875 366 M CB 1.689 34.395 32.600 0.178 0.000 1.732 366 M HN 0.505 nan 8.290 nan 0.000 0.504 367 F N 1.081 121.243 119.950 0.352 0.000 2.645 367 F HA 0.950 5.441 4.527 -0.060 0.000 0.310 367 F C -1.661 174.225 175.800 0.143 0.000 1.102 367 F CA -1.046 57.093 58.000 0.231 0.000 0.952 367 F CB 1.269 40.335 39.000 0.109 0.000 1.326 367 F HN 0.825 nan 8.300 nan 0.000 0.456 368 I N -0.085 120.724 120.570 0.399 0.000 3.322 368 I HA 0.628 4.762 4.170 -0.060 0.000 0.313 368 I C -0.973 175.345 176.117 0.336 0.000 1.129 368 I CA -1.484 59.964 61.300 0.246 0.000 0.963 368 I CB 1.709 39.801 38.000 0.153 0.000 1.273 368 I HN 0.447 nan 8.210 nan 0.000 0.473 369 I N 1.990 122.716 120.570 0.259 0.000 2.575 369 I HA 0.123 4.257 4.170 -0.060 0.000 0.285 369 I C 0.482 176.679 176.117 0.133 0.000 1.085 369 I CA 0.477 61.898 61.300 0.201 0.000 1.403 369 I CB 0.680 38.795 38.000 0.192 0.000 1.409 369 I HN 0.836 nan 8.210 nan 0.000 0.557 370 D N 4.216 124.658 120.400 0.069 0.000 2.735 370 D HA 0.088 4.692 4.640 -0.060 0.000 0.267 370 D C 0.259 176.594 176.300 0.058 0.000 1.081 370 D CA 0.993 55.032 54.000 0.065 0.000 0.980 370 D CB 0.716 41.527 40.800 0.017 0.000 1.129 370 D HN 0.640 nan 8.370 nan 0.000 0.459 371 K N -1.053 119.351 120.400 0.007 0.000 2.575 371 K HA 0.565 4.849 4.320 -0.060 0.000 0.279 371 K C -1.997 174.591 176.600 -0.019 0.000 0.969 371 K CA -0.937 55.369 56.287 0.032 0.000 0.868 371 K CB 2.215 34.770 32.500 0.092 0.000 1.457 371 K HN -0.130 nan 8.250 nan 0.000 0.426 372 V N 1.847 121.782 119.914 0.035 0.000 2.488 372 V HA 0.349 4.433 4.120 -0.060 0.000 0.293 372 V C -1.596 174.544 176.094 0.078 0.000 1.027 372 V CA -0.451 61.865 62.300 0.027 0.000 0.862 372 V CB 1.572 33.411 31.823 0.027 0.000 1.008 372 V HN 0.873 nan 8.190 nan 0.000 0.428 373 D N 3.452 123.924 120.400 0.120 0.000 2.336 373 D HA 0.538 5.143 4.640 -0.060 0.000 0.248 373 D C 0.723 177.090 176.300 0.113 0.000 1.326 373 D CA 1.048 55.118 54.000 0.117 0.000 0.973 373 D CB 1.623 42.504 40.800 0.136 0.000 1.255 373 D HN 0.751 nan 8.370 nan 0.000 0.558 374 G N 4.665 113.509 108.800 0.073 0.000 3.879 374 G HA2 -0.367 3.557 3.960 -0.060 0.000 0.318 374 G HA3 -0.367 3.557 3.960 -0.060 0.000 0.318 374 G C 0.779 175.713 174.900 0.057 0.000 1.344 374 G CA 0.702 45.837 45.100 0.058 0.000 1.024 374 G HN 0.514 nan 8.290 nan 0.000 0.681 375 D N -0.070 120.379 120.400 0.081 0.000 2.490 375 D HA 0.186 4.790 4.640 -0.060 0.000 0.244 375 D C 1.116 177.489 176.300 0.123 0.000 0.979 375 D CA -0.004 54.041 54.000 0.075 0.000 0.924 375 D CB -0.092 40.749 40.800 0.069 0.000 1.075 375 D HN 0.198 nan 8.370 nan 0.000 0.488 376 F N 2.250 122.192 119.950 -0.012 0.000 2.549 376 F HA -0.056 4.435 4.527 -0.060 0.000 0.400 376 F C 0.113 175.906 175.800 -0.012 0.000 1.011 376 F CA -0.540 57.451 58.000 -0.014 0.000 1.148 376 F CB 0.097 39.093 39.000 -0.008 0.000 0.993 376 F HN -0.091 nan 8.300 nan 0.000 0.540 377 C N 7.775 126.836 119.300 -0.399 0.000 2.437 377 C HA 0.586 5.011 4.460 -0.060 0.000 0.307 377 C C -0.275 174.350 174.990 -0.607 0.000 1.093 377 C CA -0.325 58.450 59.018 -0.405 0.000 1.463 377 C CB -1.307 26.309 27.740 -0.206 0.000 1.926 377 C HN 0.922 nan 8.230 nan 0.000 0.420 378 S N 6.127 121.355 115.700 -0.787 0.000 2.554 378 S HA 0.748 5.182 4.470 -0.060 0.000 0.278 378 S C -0.487 173.937 174.600 -0.294 0.000 1.242 378 S CA -0.571 57.265 58.200 -0.606 0.000 1.051 378 S CB 0.898 63.758 63.200 -0.566 0.000 0.986 378 S HN 0.750 nan 8.310 nan 0.000 0.502 379 L N 2.044 123.118 121.223 -0.248 0.000 2.352 379 L HA 0.505 4.810 4.340 -0.060 0.000 0.269 379 L C 0.271 177.064 176.870 -0.129 0.000 1.034 379 L CA -0.737 53.997 54.840 -0.177 0.000 0.806 379 L CB 1.339 43.184 42.059 -0.357 0.000 1.244 379 L HN 0.792 nan 8.230 nan 0.000 0.447 380 N N 1.141 119.804 118.700 -0.063 0.000 2.569 380 N HA 0.189 4.894 4.740 -0.060 0.000 0.254 380 N C -1.355 173.947 175.510 -0.346 0.000 1.004 380 N CA -0.430 52.506 53.050 -0.189 0.000 0.904 380 N CB 0.975 39.419 38.487 -0.071 0.000 1.165 380 N HN 0.601 nan 8.380 nan 0.000 0.513 381 E N 2.980 122.897 120.200 -0.472 0.000 2.222 381 E HA 0.374 4.689 4.350 -0.060 0.000 0.267 381 E C -1.215 175.097 176.600 -0.480 0.000 0.884 381 E CA -0.639 55.591 56.400 -0.283 0.000 0.764 381 E CB 1.316 31.080 29.700 0.107 0.000 1.169 381 E HN 0.176 nan 8.360 nan 0.000 0.413 382 F N 0.822 120.812 119.950 0.066 0.000 2.585 382 F HA 0.626 5.117 4.527 -0.060 0.000 0.350 382 F C 0.339 176.124 175.800 -0.024 0.000 1.074 382 F CA -1.018 56.968 58.000 -0.023 0.000 1.032 382 F CB 2.030 40.977 39.000 -0.089 0.000 1.330 382 F HN 0.366 nan 8.300 nan 0.000 0.495 383 S N 0.985 116.774 115.700 0.147 0.000 2.548 383 S HA 0.729 5.163 4.470 -0.060 0.000 0.286 383 S C -1.336 173.264 174.600 -0.001 0.000 1.098 383 S CA -0.603 57.604 58.200 0.012 0.000 0.930 383 S CB 1.699 64.880 63.200 -0.031 0.000 1.070 383 S HN 0.271 nan 8.310 nan 0.000 0.480 384 I N 2.391 122.932 120.570 -0.049 0.000 2.493 384 I HA 0.498 4.632 4.170 -0.060 0.000 0.298 384 I C 0.454 176.529 176.117 -0.070 0.000 0.998 384 I CA -0.726 60.538 61.300 -0.061 0.000 1.137 384 I CB 1.213 39.169 38.000 -0.074 0.000 1.310 384 I HN 0.699 nan 8.210 nan 0.000 0.445 385 T N 0.111 114.627 114.554 -0.064 0.000 2.855 385 T HA 0.834 5.148 4.350 -0.060 0.000 0.281 385 T C 0.070 174.726 174.700 -0.072 0.000 1.007 385 T CA -0.698 61.363 62.100 -0.064 0.000 1.009 385 T CB 1.805 70.643 68.868 -0.049 0.000 0.983 385 T HN 1.377 nan 8.240 nan 0.000 0.455 386 G N 0.972 109.727 108.800 -0.075 0.000 3.313 386 G HA2 0.183 4.107 3.960 -0.060 0.000 0.659 386 G HA3 0.183 4.107 3.960 -0.060 0.000 0.659 386 G C 0.300 175.137 174.900 -0.105 0.000 1.286 386 G CA 0.032 45.082 45.100 -0.083 0.000 1.077 386 G HN 1.457 nan 8.290 nan 0.000 0.551 387 S N 0.361 116.002 115.700 -0.098 0.000 2.446 387 S HA 0.170 4.604 4.470 -0.060 0.000 0.225 387 S C 1.658 176.156 174.600 -0.170 0.000 1.016 387 S CA 1.721 59.849 58.200 -0.120 0.000 0.943 387 S CB -0.214 62.935 63.200 -0.086 0.000 0.786 387 S HN 2.125 nan 8.310 nan 0.000 0.508 388 T N -1.042 113.434 114.554 -0.130 0.000 2.732 388 T HA 0.300 4.614 4.350 -0.060 0.000 0.287 388 T C 0.431 175.006 174.700 -0.208 0.000 0.993 388 T CA -0.335 61.693 62.100 -0.119 0.000 0.966 388 T CB -0.093 68.772 68.868 -0.006 0.000 1.047 388 T HN 0.212 nan 8.240 nan 0.000 0.527 389 Y N 0.114 120.403 120.300 -0.018 0.000 2.529 389 Y HA 0.423 4.938 4.550 -0.060 0.000 0.290 389 Y C 1.729 177.517 175.900 -0.187 0.000 1.177 389 Y CA 0.000 58.073 58.100 -0.046 0.000 1.305 389 Y CB -0.692 37.786 38.460 0.031 0.000 1.047 389 Y HN 0.805 nan 8.280 nan 0.000 0.522 390 A N 1.713 124.442 122.820 -0.150 0.000 2.401 390 A HA 0.214 4.498 4.320 -0.060 0.000 0.259 390 A C -1.498 175.835 177.584 -0.420 0.000 1.103 390 A CA -1.300 50.400 52.037 -0.562 0.000 0.789 390 A CB 0.058 18.878 19.000 -0.301 0.000 1.035 390 A HN 0.073 nan 8.150 nan 0.000 0.491 391 P HA -0.032 nan 4.420 nan 0.000 0.261 391 P C -0.283 176.909 177.300 -0.179 0.000 1.297 391 P CA 0.678 63.621 63.100 -0.262 0.000 0.757 391 P CB -0.171 31.398 31.700 -0.219 0.000 1.149 392 E N 0.379 120.472 120.200 -0.178 0.000 2.227 392 E HA 0.566 4.880 4.350 -0.060 0.000 0.282 392 E C 0.796 177.344 176.600 -0.087 0.000 1.015 392 E CA -0.207 56.131 56.400 -0.104 0.000 0.823 392 E CB 0.857 30.512 29.700 -0.074 0.000 1.081 392 E HN 0.131 nan 8.360 nan 0.000 0.396 393 G N 2.197 110.956 108.800 -0.068 0.000 2.368 393 G HA2 0.174 4.098 3.960 -0.060 0.000 0.302 393 G HA3 0.174 4.098 3.960 -0.060 0.000 0.302 393 G C -1.602 173.264 174.900 -0.055 0.000 1.329 393 G CA -0.917 44.147 45.100 -0.061 0.000 0.935 393 G HN 0.527 nan 8.290 nan 0.000 0.590 394 E N -1.648 118.522 120.200 -0.050 0.000 2.416 394 E HA 0.712 5.026 4.350 -0.060 0.000 0.273 394 E C -1.164 175.409 176.600 -0.045 0.000 0.935 394 E CA -1.156 55.218 56.400 -0.044 0.000 0.784 394 E CB 2.556 32.239 29.700 -0.028 0.000 1.301 394 E HN 0.505 nan 8.360 nan 0.000 0.454 395 V N 1.755 121.641 119.914 -0.048 0.000 2.439 395 V HA 0.430 4.514 4.120 -0.060 0.000 0.282 395 V C -0.261 175.836 176.094 0.005 0.000 1.039 395 V CA -0.638 61.632 62.300 -0.049 0.000 0.913 395 V CB 0.502 32.250 31.823 -0.126 0.000 0.983 395 V HN 0.530 nan 8.190 nan 0.000 0.460 396 L N 2.472 123.727 121.223 0.054 0.000 2.436 396 L HA 0.731 5.035 4.340 -0.060 0.000 0.268 396 L C -0.656 176.303 176.870 0.148 0.000 0.974 396 L CA -0.822 54.070 54.840 0.086 0.000 0.826 396 L CB 1.725 43.807 42.059 0.039 0.000 1.291 396 L HN 0.456 nan 8.230 nan 0.000 0.406 397 K N 2.020 122.513 120.400 0.155 0.000 2.159 397 K HA 0.428 4.712 4.320 -0.060 0.000 0.266 397 K C 0.064 176.664 176.600 -0.000 0.000 0.975 397 K CA -0.393 55.915 56.287 0.035 0.000 0.865 397 K CB 0.879 33.375 32.500 -0.006 0.000 1.087 397 K HN 0.849 nan 8.250 nan 0.000 0.446 398 N N 2.948 121.621 118.700 -0.046 0.000 2.714 398 N HA -0.240 4.464 4.740 -0.060 0.000 0.250 398 N C -1.211 174.297 175.510 -0.004 0.000 1.117 398 N CA 0.938 53.974 53.050 -0.023 0.000 0.719 398 N CB -0.766 37.717 38.487 -0.008 0.000 1.081 398 N HN 0.951 nan 8.380 nan 0.000 0.557 399 D N -0.669 119.730 120.400 -0.002 0.000 2.775 399 D HA -0.160 4.445 4.640 -0.060 0.000 0.235 399 D C -0.678 175.629 176.300 0.010 0.000 1.120 399 D CA 1.559 55.560 54.000 0.001 0.000 0.708 399 D CB -0.354 40.443 40.800 -0.006 0.000 1.084 399 D HN 0.552 nan 8.370 nan 0.000 0.434 400 K N -0.110 120.305 120.400 0.024 0.000 2.578 400 K HA 0.263 4.547 4.320 -0.060 0.000 0.263 400 K C -2.839 173.789 176.600 0.046 0.000 0.973 400 K CA -1.485 54.820 56.287 0.030 0.000 0.909 400 K CB 1.587 34.106 32.500 0.031 0.000 1.326 400 K HN -0.229 nan 8.250 nan 0.000 0.440 401 P HA -0.023 nan 4.420 nan 0.000 0.261 401 P C -0.493 176.847 177.300 0.067 0.000 1.183 401 P CA -0.058 63.066 63.100 0.040 0.000 0.761 401 P CB 0.228 31.941 31.700 0.022 0.000 0.785 402 I N 1.462 122.083 120.570 0.086 0.000 2.846 402 I HA 0.518 4.652 4.170 -0.060 0.000 0.307 402 I C -0.461 175.715 176.117 0.098 0.000 1.053 402 I CA -1.881 59.502 61.300 0.138 0.000 1.050 402 I CB 2.291 40.446 38.000 0.259 0.000 1.239 402 I HN 0.266 nan 8.210 nan 0.000 0.439 403 R N 3.553 124.125 120.500 0.120 0.000 2.220 403 R HA 0.310 4.614 4.340 -0.060 0.000 0.340 403 R C 0.319 176.666 176.300 0.079 0.000 1.076 403 R CA -0.063 56.073 56.100 0.061 0.000 0.920 403 R CB 0.789 31.112 30.300 0.038 0.000 1.062 403 R HN 0.846 nan 8.270 nan 0.000 0.469 404 S N 3.009 118.701 115.700 -0.013 0.000 2.387 404 S HA -0.162 4.272 4.470 -0.060 0.000 0.230 404 S C 1.617 176.208 174.600 -0.016 0.000 1.035 404 S CA 1.711 59.862 58.200 -0.081 0.000 1.014 404 S CB -0.043 63.041 63.200 -0.193 0.000 0.836 404 S HN 0.889 nan 8.310 nan 0.000 0.466 405 G N 0.153 108.916 108.800 -0.061 0.000 2.848 405 G HA2 -0.048 3.876 3.960 -0.060 0.000 0.208 405 G HA3 -0.048 3.876 3.960 -0.060 0.000 0.208 405 G C 1.035 175.891 174.900 -0.074 0.000 1.152 405 G CA -0.091 44.939 45.100 -0.117 0.000 0.789 405 G HN 0.486 nan 8.290 nan 0.000 0.531 406 Q N -0.696 119.078 119.800 -0.045 0.000 2.451 406 Q HA 0.165 4.469 4.340 -0.060 0.000 0.206 406 Q C -0.444 175.321 176.000 -0.392 0.000 0.947 406 Q CA 0.066 55.749 55.803 -0.200 0.000 0.937 406 Q CB 0.195 28.784 28.738 -0.249 0.000 1.025 406 Q HN 0.470 nan 8.270 nan 0.000 0.511 407 F N 0.640 120.566 119.950 -0.040 0.000 2.361 407 F HA 0.157 4.648 4.527 -0.060 0.000 0.364 407 F C 0.811 176.586 175.800 -0.041 0.000 1.117 407 F CA -0.898 57.100 58.000 -0.003 0.000 1.071 407 F CB 1.139 40.164 39.000 0.041 0.000 1.188 407 F HN -0.126 nan 8.300 nan 0.000 0.464 408 D N 2.688 123.129 120.400 0.068 0.000 2.116 408 D HA -0.174 4.430 4.640 -0.060 0.000 0.193 408 D C 2.321 178.638 176.300 0.028 0.000 0.998 408 D CA 1.696 55.711 54.000 0.025 0.000 0.836 408 D CB -0.240 40.574 40.800 0.022 0.000 0.951 408 D HN 0.773 nan 8.370 nan 0.000 0.449 409 G N 0.728 109.574 108.800 0.078 0.000 2.442 409 G HA2 -0.206 3.718 3.960 -0.060 0.000 0.219 409 G HA3 -0.206 3.718 3.960 -0.060 0.000 0.219 409 G C 1.797 176.689 174.900 -0.013 0.000 1.141 409 G CA 0.196 45.321 45.100 0.041 0.000 0.763 409 G HN 0.268 nan 8.290 nan 0.000 0.554 410 L N 0.426 121.649 121.223 -0.000 0.000 2.201 410 L HA -0.075 4.229 4.340 -0.060 0.000 0.212 410 L C 2.950 179.724 176.870 -0.159 0.000 1.105 410 L CA 0.271 55.041 54.840 -0.116 0.000 0.775 410 L CB -0.319 41.612 42.059 -0.213 0.000 0.913 410 L HN 0.118 nan 8.230 nan 0.000 0.440 411 V N -0.393 119.431 119.914 -0.150 0.000 2.255 411 V HA -0.292 3.792 4.120 -0.060 0.000 0.247 411 V C 2.407 178.396 176.094 -0.174 0.000 1.051 411 V CA 1.793 63.958 62.300 -0.225 0.000 1.018 411 V CB -0.516 31.172 31.823 -0.225 0.000 0.641 411 V HN 0.446 nan 8.190 nan 0.000 0.445 412 E N -0.199 119.930 120.200 -0.120 0.000 2.085 412 E HA -0.208 4.106 4.350 -0.060 0.000 0.194 412 E C 2.238 178.738 176.600 -0.168 0.000 0.994 412 E CA 1.268 57.595 56.400 -0.122 0.000 0.801 412 E CB -0.250 29.404 29.700 -0.076 0.000 0.743 412 E HN 0.399 nan 8.360 nan 0.000 0.453 413 L N 0.732 121.860 121.223 -0.158 0.000 2.042 413 L HA -0.166 4.138 4.340 -0.060 0.000 0.210 413 L C 2.187 178.956 176.870 -0.167 0.000 1.076 413 L CA 2.019 56.759 54.840 -0.167 0.000 0.749 413 L CB -0.878 41.089 42.059 -0.155 0.000 0.893 413 L HN 0.004 nan 8.230 nan 0.000 0.432 414 A N -1.336 121.380 122.820 -0.174 0.000 1.970 414 A HA -0.112 4.172 4.320 -0.060 0.000 0.216 414 A C 2.161 179.643 177.584 -0.170 0.000 1.170 414 A CA 1.591 53.531 52.037 -0.162 0.000 0.645 414 A CB -0.717 18.179 19.000 -0.173 0.000 0.816 414 A HN 0.473 nan 8.150 nan 0.000 0.447 415 T N 0.574 115.003 114.554 -0.208 0.000 2.708 415 T HA -0.118 4.196 4.350 -0.060 0.000 0.266 415 T C 1.793 176.232 174.700 -0.435 0.000 1.037 415 T CA 1.650 63.584 62.100 -0.276 0.000 1.146 415 T CB -0.402 68.278 68.868 -0.313 0.000 0.865 415 T HN 0.420 nan 8.240 nan 0.000 0.435 416 I N 0.569 120.862 120.570 -0.462 0.000 2.179 416 I HA -0.189 3.945 4.170 -0.060 0.000 0.242 416 I C 2.697 178.689 176.117 -0.209 0.000 1.088 416 I CA 0.831 61.881 61.300 -0.417 0.000 1.357 416 I CB -0.444 37.415 38.000 -0.235 0.000 1.051 416 I HN 0.307 nan 8.210 nan 0.000 0.409 417 C N 0.635 119.842 119.300 -0.156 0.000 2.410 417 C HA -0.169 4.255 4.460 -0.060 0.000 0.281 417 C C 3.038 177.985 174.990 -0.071 0.000 1.318 417 C CA 1.180 60.144 59.018 -0.090 0.000 1.776 417 C CB -1.212 26.479 27.740 -0.083 0.000 1.942 417 C HN 0.612 nan 8.230 nan 0.000 0.508 418 A N -0.754 122.008 122.820 -0.096 0.000 1.911 418 A HA 0.160 4.444 4.320 -0.060 0.000 0.212 418 A C 1.995 179.549 177.584 -0.050 0.000 1.189 418 A CA 0.794 52.796 52.037 -0.059 0.000 0.639 418 A CB -0.340 18.629 19.000 -0.052 0.000 0.839 418 A HN 0.536 nan 8.150 nan 0.000 0.449 419 L N -1.328 119.837 121.223 -0.096 0.000 2.270 419 L HA -0.021 4.283 4.340 -0.060 0.000 0.210 419 L C 1.707 178.589 176.870 0.020 0.000 1.104 419 L CA 0.422 55.239 54.840 -0.039 0.000 0.804 419 L CB -0.034 41.980 42.059 -0.076 0.000 0.937 419 L HN 0.483 nan 8.230 nan 0.000 0.450 420 C N 1.486 120.789 119.300 0.004 0.000 2.285 420 C HA 0.265 4.689 4.460 -0.060 0.000 0.361 420 C C 0.392 175.411 174.990 0.047 0.000 1.361 420 C CA -0.506 58.546 59.018 0.056 0.000 1.775 420 C CB -2.093 25.691 27.740 0.073 0.000 2.409 420 C HN 0.311 nan 8.230 nan 0.000 0.572 421 N N 0.535 119.257 118.700 0.036 0.000 2.295 421 N HA 0.271 4.975 4.740 -0.060 0.000 0.293 421 N C -0.484 175.049 175.510 0.038 0.000 1.040 421 N CA -0.088 52.982 53.050 0.033 0.000 0.840 421 N CB 1.671 40.168 38.487 0.016 0.000 1.468 421 N HN 0.237 nan 8.380 nan 0.000 0.478 422 D N 0.515 120.939 120.400 0.041 0.000 2.431 422 D HA 0.261 4.865 4.640 -0.060 0.000 0.213 422 D C -0.304 176.013 176.300 0.028 0.000 1.130 422 D CA 0.349 54.373 54.000 0.041 0.000 0.834 422 D CB 0.776 41.607 40.800 0.052 0.000 0.985 422 D HN 0.351 nan 8.370 nan 0.000 0.504 423 S N -0.897 114.816 115.700 0.021 0.000 2.801 423 S HA 0.798 5.232 4.470 -0.060 0.000 0.312 423 S C -0.324 174.282 174.600 0.009 0.000 1.112 423 S CA -0.561 57.645 58.200 0.009 0.000 0.943 423 S CB 2.054 65.254 63.200 0.001 0.000 1.269 423 S HN 0.178 nan 8.310 nan 0.000 0.558 424 S N -0.521 115.177 115.700 -0.003 0.000 2.611 424 S HA 0.532 4.966 4.470 -0.060 0.000 0.270 424 S C -1.558 173.041 174.600 -0.001 0.000 1.131 424 S CA -0.891 57.314 58.200 0.009 0.000 0.826 424 S CB 0.135 63.345 63.200 0.016 0.000 1.095 424 S HN 0.501 nan 8.310 nan 0.000 0.461 425 L N 0.999 122.244 121.223 0.037 0.000 2.416 425 L HA 0.772 5.076 4.340 -0.060 0.000 0.262 425 L C -0.667 176.258 176.870 0.092 0.000 1.093 425 L CA -0.372 54.511 54.840 0.073 0.000 0.801 425 L CB 1.320 43.473 42.059 0.157 0.000 1.191 425 L HN 0.903 nan 8.230 nan 0.000 0.459 426 D N -0.092 120.377 120.400 0.115 0.000 2.947 426 D HA 0.240 4.844 4.640 -0.060 0.000 0.224 426 D C -1.309 175.053 176.300 0.104 0.000 1.230 426 D CA -0.449 53.610 54.000 0.099 0.000 0.871 426 D CB 1.473 42.284 40.800 0.018 0.000 1.671 426 D HN 0.111 nan 8.370 nan 0.000 0.507 427 F N 3.630 123.498 119.950 -0.136 0.000 2.472 427 F HA 0.354 4.846 4.527 -0.060 0.000 0.364 427 F C 0.182 175.851 175.800 -0.219 0.000 1.090 427 F CA -0.613 57.161 58.000 -0.378 0.000 1.188 427 F CB 0.389 39.086 39.000 -0.506 0.000 1.105 427 F HN 0.223 nan 8.300 nan 0.000 0.536 428 N N 5.493 123.659 118.700 -0.889 0.000 2.430 428 N HA 0.020 4.725 4.740 -0.060 0.000 0.265 428 N C 0.777 175.578 175.510 -1.183 0.000 1.100 428 N CA 0.057 52.649 53.050 -0.764 0.000 0.961 428 N CB 0.837 39.065 38.487 -0.433 0.000 1.075 428 N HN 0.664 nan 8.380 nan 0.000 0.478 429 E N 2.118 121.912 120.200 -0.677 0.000 2.112 429 E HA -0.071 4.244 4.350 -0.060 0.000 0.190 429 E C 1.135 177.563 176.600 -0.287 0.000 0.979 429 E CA 1.149 57.275 56.400 -0.457 0.000 0.814 429 E CB -0.083 29.500 29.700 -0.195 0.000 0.762 429 E HN 0.643 nan 8.360 nan 0.000 0.460 430 T N 2.123 116.538 114.554 -0.232 0.000 2.564 430 T HA -0.146 4.168 4.350 -0.060 0.000 0.259 430 T C 1.881 176.504 174.700 -0.129 0.000 1.087 430 T CA 1.540 63.555 62.100 -0.141 0.000 1.184 430 T CB -0.251 68.550 68.868 -0.113 0.000 0.864 430 T HN -0.002 nan 8.240 nan 0.000 0.403 431 K N 0.732 121.046 120.400 -0.144 0.000 2.211 431 K HA 0.124 4.409 4.320 -0.060 0.000 0.204 431 K C 1.566 178.116 176.600 -0.083 0.000 1.047 431 K CA 0.960 57.190 56.287 -0.095 0.000 0.935 431 K CB -0.591 31.860 32.500 -0.082 0.000 0.728 431 K HN 0.581 nan 8.250 nan 0.000 0.452 432 G N -0.010 108.676 108.800 -0.189 0.000 2.132 432 G HA2 -0.214 3.710 3.960 -0.060 0.000 0.234 432 G HA3 -0.214 3.710 3.960 -0.060 0.000 0.234 432 G C -0.023 174.960 174.900 0.139 0.000 0.989 432 G CA 0.175 45.241 45.100 -0.057 0.000 0.676 432 G HN 0.425 nan 8.290 nan 0.000 0.522 433 V N -3.426 116.454 119.914 -0.056 0.000 3.078 433 V HA 0.871 4.955 4.120 -0.060 0.000 0.311 433 V C 0.237 176.383 176.094 0.087 0.000 1.138 433 V CA -2.385 60.035 62.300 0.199 0.000 1.007 433 V CB 1.360 33.289 31.823 0.177 0.000 1.045 433 V HN 0.395 nan 8.190 nan 0.000 0.432 434 Y N 1.214 121.689 120.300 0.292 0.000 2.457 434 Y HA 0.507 5.021 4.550 -0.060 0.000 0.341 434 Y C 0.920 176.869 175.900 0.082 0.000 1.240 434 Y CA 0.323 58.564 58.100 0.235 0.000 1.437 434 Y CB 0.448 39.049 38.460 0.235 0.000 1.328 434 Y HN 0.642 nan 8.280 nan 0.000 0.588 435 E N 1.713 121.993 120.200 0.134 0.000 2.238 435 E HA 0.229 4.543 4.350 -0.060 0.000 0.267 435 E C -1.000 175.520 176.600 -0.133 0.000 0.887 435 E CA -1.119 55.269 56.400 -0.021 0.000 0.769 435 E CB 2.078 31.744 29.700 -0.056 0.000 1.187 435 E HN 0.547 nan 8.360 nan 0.000 0.416 436 K N -0.362 119.837 120.400 -0.335 0.000 2.185 436 K HA 0.449 4.733 4.320 -0.060 0.000 0.271 436 K C -0.561 175.918 176.600 -0.203 0.000 1.013 436 K CA -0.574 55.447 56.287 -0.443 0.000 0.943 436 K CB 0.887 32.925 32.500 -0.771 0.000 0.998 436 K HN 0.117 nan 8.250 nan 0.000 0.468 437 V N 2.867 122.696 119.914 -0.142 0.000 2.320 437 V HA 0.508 4.592 4.120 -0.060 0.000 0.268 437 V C 0.427 176.488 176.094 -0.056 0.000 1.021 437 V CA 0.246 62.501 62.300 -0.075 0.000 0.813 437 V CB -0.081 31.717 31.823 -0.042 0.000 1.054 437 V HN 1.192 nan 8.190 nan 0.000 0.444 438 G N 4.217 112.985 108.800 -0.053 0.000 2.181 438 G HA2 -0.013 3.911 3.960 -0.060 0.000 0.098 438 G HA3 -0.013 3.911 3.960 -0.060 0.000 0.098 438 G C -0.697 174.187 174.900 -0.027 0.000 1.237 438 G CA -0.487 44.596 45.100 -0.029 0.000 1.238 438 G HN 0.552 nan 8.290 nan 0.000 0.468 439 E N 1.156 121.346 120.200 -0.016 0.000 2.331 439 E HA 0.696 5.010 4.350 -0.060 0.000 0.272 439 E C 1.311 177.918 176.600 0.011 0.000 1.036 439 E CA 0.811 57.206 56.400 -0.008 0.000 0.864 439 E CB 1.309 31.003 29.700 -0.011 0.000 1.035 439 E HN 1.042 nan 8.360 nan 0.000 0.408 440 A N 2.867 125.710 122.820 0.037 0.000 1.898 440 A HA -0.159 4.126 4.320 -0.060 0.000 0.216 440 A C 1.929 179.602 177.584 0.147 0.000 1.181 440 A CA 2.091 54.203 52.037 0.125 0.000 0.620 440 A CB -0.915 18.170 19.000 0.142 0.000 0.819 440 A HN 0.745 nan 8.150 nan 0.000 0.442 441 T N 0.046 114.642 114.554 0.070 0.000 2.720 441 T HA -0.174 4.141 4.350 -0.060 0.000 0.268 441 T C 1.696 176.432 174.700 0.059 0.000 1.037 441 T CA 1.611 63.741 62.100 0.050 0.000 1.144 441 T CB -0.326 68.547 68.868 0.009 0.000 0.864 441 T HN 0.641 nan 8.240 nan 0.000 0.444 442 E N 0.761 120.990 120.200 0.047 0.000 2.072 442 E HA -0.073 4.241 4.350 -0.060 0.000 0.190 442 E C 2.485 179.124 176.600 0.065 0.000 0.982 442 E CA 1.312 57.738 56.400 0.044 0.000 0.803 442 E CB -0.268 29.449 29.700 0.028 0.000 0.755 442 E HN 0.446 nan 8.360 nan 0.000 0.453 443 T N 1.085 115.690 114.554 0.086 0.000 2.833 443 T HA -0.124 4.191 4.350 -0.060 0.000 0.269 443 T C 1.962 176.810 174.700 0.246 0.000 1.054 443 T CA 1.024 63.188 62.100 0.105 0.000 1.135 443 T CB -0.133 68.705 68.868 -0.049 0.000 0.869 443 T HN 0.207 nan 8.240 nan 0.000 0.466 444 A N 1.213 124.197 122.820 0.273 0.000 1.933 444 A HA 0.014 4.298 4.320 -0.060 0.000 0.218 444 A C 2.146 179.765 177.584 0.059 0.000 1.175 444 A CA 1.034 53.157 52.037 0.145 0.000 0.628 444 A CB -0.657 18.371 19.000 0.047 0.000 0.814 444 A HN 0.337 nan 8.150 nan 0.000 0.444 445 L N -0.515 120.738 121.223 0.051 0.000 2.056 445 L HA -0.095 4.209 4.340 -0.060 0.000 0.207 445 L C 2.661 179.537 176.870 0.010 0.000 1.078 445 L CA 2.315 57.164 54.840 0.015 0.000 0.749 445 L CB -1.239 40.828 42.059 0.013 0.000 0.901 445 L HN 0.342 nan 8.230 nan 0.000 0.433 446 T N -1.502 113.073 114.554 0.034 0.000 2.821 446 T HA -0.143 4.171 4.350 -0.060 0.000 0.267 446 T C 1.698 176.410 174.700 0.021 0.000 1.046 446 T CA 1.722 63.838 62.100 0.026 0.000 1.139 446 T CB -0.142 68.749 68.868 0.038 0.000 0.871 446 T HN 0.357 nan 8.240 nan 0.000 0.454 447 T N 2.058 116.637 114.554 0.043 0.000 2.962 447 T HA 0.039 4.353 4.350 -0.060 0.000 0.270 447 T C 1.787 176.466 174.700 -0.036 0.000 1.088 447 T CA 0.519 62.624 62.100 0.009 0.000 1.127 447 T CB -0.226 68.664 68.868 0.037 0.000 0.883 447 T HN 0.155 nan 8.240 nan 0.000 0.493 448 L N 2.214 123.416 121.223 -0.034 0.000 2.034 448 L HA 0.051 4.356 4.340 -0.060 0.000 0.203 448 L C 2.557 179.386 176.870 -0.069 0.000 1.074 448 L CA 1.381 56.185 54.840 -0.059 0.000 0.748 448 L CB -0.778 41.247 42.059 -0.057 0.000 0.905 448 L HN 0.207 nan 8.230 nan 0.000 0.439 449 V N -2.548 117.331 119.914 -0.059 0.000 2.867 449 V HA -0.130 3.954 4.120 -0.060 0.000 0.260 449 V C 2.228 178.290 176.094 -0.054 0.000 1.099 449 V CA 1.507 63.767 62.300 -0.067 0.000 1.122 449 V CB -0.849 30.940 31.823 -0.056 0.000 0.708 449 V HN 0.488 nan 8.190 nan 0.000 0.490 450 E N 1.445 121.617 120.200 -0.046 0.000 2.008 450 E HA -0.090 4.224 4.350 -0.060 0.000 0.191 450 E C 2.217 178.780 176.600 -0.061 0.000 0.986 450 E CA 1.571 57.944 56.400 -0.045 0.000 0.807 450 E CB -0.440 29.230 29.700 -0.050 0.000 0.766 450 E HN 0.659 nan 8.360 nan 0.000 0.450 451 K N 0.405 120.760 120.400 -0.075 0.000 2.089 451 K HA -0.147 4.137 4.320 -0.060 0.000 0.210 451 K C 2.347 178.897 176.600 -0.084 0.000 1.048 451 K CA 1.543 57.782 56.287 -0.080 0.000 0.926 451 K CB -0.283 32.165 32.500 -0.086 0.000 0.714 451 K HN 0.121 nan 8.250 nan 0.000 0.448 452 M N 0.315 119.855 119.600 -0.099 0.000 2.065 452 M HA -0.174 4.270 4.480 -0.060 0.000 0.259 452 M C 0.611 176.844 176.300 -0.111 0.000 1.071 452 M CA 1.020 56.245 55.300 -0.126 0.000 1.109 452 M CB -0.465 32.044 32.600 -0.152 0.000 1.313 452 M HN 0.174 nan 8.290 nan 0.000 0.408 453 N N 0.255 118.900 118.700 -0.092 0.000 2.726 453 N HA -0.118 4.586 4.740 -0.060 0.000 0.253 453 N C 0.318 175.765 175.510 -0.105 0.000 1.059 453 N CA 0.614 53.625 53.050 -0.064 0.000 0.701 453 N CB -0.885 37.579 38.487 -0.039 0.000 0.899 453 N HN 0.375 nan 8.380 nan 0.000 0.548 454 V N -2.716 117.070 119.914 -0.214 0.000 3.241 454 V HA 0.054 4.138 4.120 -0.060 0.000 0.269 454 V C 1.422 177.223 176.094 -0.490 0.000 1.151 454 V CA 1.436 63.503 62.300 -0.388 0.000 1.158 454 V CB -0.723 30.769 31.823 -0.551 0.000 0.764 454 V HN 0.252 nan 8.190 nan 0.000 0.508 455 F N 0.870 120.800 119.950 -0.032 0.000 2.682 455 F HA 0.447 4.938 4.527 -0.060 0.000 0.308 455 F C 1.033 176.820 175.800 -0.021 0.000 1.093 455 F CA -0.688 57.297 58.000 -0.026 0.000 1.244 455 F CB -0.739 38.245 39.000 -0.026 0.000 1.052 455 F HN 0.251 nan 8.300 nan 0.000 0.573 456 N N 0.028 118.787 118.700 0.099 0.000 2.758 456 N HA -0.168 4.536 4.740 -0.060 0.000 0.248 456 N C -0.402 175.149 175.510 0.068 0.000 1.076 456 N CA 0.638 53.724 53.050 0.060 0.000 0.696 456 N CB -1.336 37.180 38.487 0.049 0.000 0.979 456 N HN 0.011 nan 8.380 nan 0.000 0.550 457 T N 0.735 115.336 114.554 0.079 0.000 2.916 457 T HA -0.001 4.313 4.350 -0.060 0.000 0.303 457 T C 0.498 175.215 174.700 0.030 0.000 1.025 457 T CA -0.068 62.065 62.100 0.055 0.000 1.142 457 T CB 0.714 69.619 68.868 0.061 0.000 0.947 457 T HN 0.023 nan 8.240 nan 0.000 0.544 458 E N 2.530 122.742 120.200 0.020 0.000 2.328 458 E HA 0.090 4.404 4.350 -0.060 0.000 0.265 458 E C 0.823 177.428 176.600 0.008 0.000 1.057 458 E CA -0.093 56.314 56.400 0.011 0.000 0.916 458 E CB 0.496 30.201 29.700 0.008 0.000 0.993 458 E HN 0.529 nan 8.360 nan 0.000 0.446 459 V N 2.275 122.191 119.914 0.005 0.000 3.497 459 V HA 0.135 4.219 4.120 -0.060 0.000 0.272 459 V C 1.553 177.645 176.094 -0.004 0.000 1.474 459 V CA 0.292 62.593 62.300 0.002 0.000 1.025 459 V CB -0.040 31.783 31.823 -0.001 0.000 0.820 459 V HN 0.522 nan 8.190 nan 0.000 0.437 460 R N 0.574 121.071 120.500 -0.005 0.000 2.240 460 R HA 0.210 4.514 4.340 -0.060 0.000 0.203 460 R C 1.141 177.437 176.300 -0.008 0.000 1.011 460 R CA 1.022 57.118 56.100 -0.008 0.000 1.007 460 R CB -0.566 29.729 30.300 -0.007 0.000 0.911 460 R HN 0.418 nan 8.270 nan 0.000 0.468 461 N N 0.653 119.350 118.700 -0.005 0.000 2.398 461 N HA 0.174 4.878 4.740 -0.060 0.000 0.188 461 N C -0.018 175.489 175.510 -0.005 0.000 1.122 461 N CA 0.227 53.275 53.050 -0.005 0.000 0.866 461 N CB 0.234 38.719 38.487 -0.002 0.000 0.970 461 N HN 0.157 nan 8.380 nan 0.000 0.462 462 L N -0.416 120.803 121.223 -0.006 0.000 2.448 462 L HA 0.355 4.659 4.340 -0.060 0.000 0.258 462 L C 0.883 177.743 176.870 -0.016 0.000 1.104 462 L CA -0.662 54.175 54.840 -0.005 0.000 0.800 462 L CB 0.798 42.857 42.059 0.001 0.000 1.241 462 L HN -0.002 nan 8.230 nan 0.000 0.472 463 S N -1.062 114.627 115.700 -0.019 0.000 2.638 463 S HA 0.322 4.756 4.470 -0.060 0.000 0.298 463 S C 0.561 175.113 174.600 -0.081 0.000 1.111 463 S CA -0.782 57.392 58.200 -0.043 0.000 1.027 463 S CB 1.916 65.101 63.200 -0.024 0.000 1.064 463 S HN 0.533 nan 8.310 nan 0.000 0.525 464 K N 0.975 121.258 120.400 -0.195 0.000 2.097 464 K HA -0.137 4.148 4.320 -0.060 0.000 0.214 464 K C 1.744 178.174 176.600 -0.284 0.000 1.052 464 K CA 2.197 58.217 56.287 -0.445 0.000 0.932 464 K CB -0.969 30.843 32.500 -1.147 0.000 0.716 464 K HN 0.548 nan 8.250 nan 0.000 0.455 465 V N 0.440 120.311 119.914 -0.073 0.000 2.379 465 V HA -0.179 3.905 4.120 -0.060 0.000 0.245 465 V C 1.824 177.959 176.094 0.068 0.000 1.044 465 V CA 1.874 64.224 62.300 0.083 0.000 1.036 465 V CB -0.392 31.510 31.823 0.131 0.000 0.664 465 V HN 0.368 nan 8.190 nan 0.000 0.453 466 E N 0.429 120.652 120.200 0.037 0.000 2.153 466 E HA -0.244 4.070 4.350 -0.060 0.000 0.194 466 E C 2.275 178.902 176.600 0.046 0.000 0.988 466 E CA 1.379 57.801 56.400 0.037 0.000 0.811 466 E CB -0.147 29.565 29.700 0.020 0.000 0.746 466 E HN 0.656 nan 8.360 nan 0.000 0.466 467 R N 0.642 121.172 120.500 0.050 0.000 2.210 467 R HA 0.188 4.492 4.340 -0.060 0.000 0.203 467 R C 2.088 178.444 176.300 0.093 0.000 1.010 467 R CA 0.955 57.087 56.100 0.054 0.000 1.008 467 R CB -0.193 30.125 30.300 0.031 0.000 0.923 467 R HN 0.054 nan 8.270 nan 0.000 0.469 468 A N 1.788 124.720 122.820 0.186 0.000 1.896 468 A HA -0.214 4.071 4.320 -0.060 0.000 0.220 468 A C 1.348 179.005 177.584 0.122 0.000 1.206 468 A CA 1.956 54.147 52.037 0.257 0.000 0.647 468 A CB -0.608 18.624 19.000 0.386 0.000 0.828 468 A HN 0.525 nan 8.150 nan 0.000 0.455 469 N N -0.845 117.913 118.700 0.096 0.000 2.273 469 N HA 0.389 5.093 4.740 -0.060 0.000 0.231 469 N C 1.245 176.781 175.510 0.043 0.000 1.134 469 N CA 0.694 53.781 53.050 0.061 0.000 0.856 469 N CB 0.188 38.709 38.487 0.057 0.000 1.068 469 N HN 0.471 nan 8.380 nan 0.000 0.510 470 A N 0.692 123.537 122.820 0.041 0.000 1.848 470 A HA -0.230 4.054 4.320 -0.060 0.000 0.217 470 A C 2.309 179.911 177.584 0.030 0.000 1.220 470 A CA 1.763 53.818 52.037 0.031 0.000 0.645 470 A CB -1.026 17.990 19.000 0.026 0.000 0.842 470 A HN 0.455 nan 8.150 nan 0.000 0.451 471 C N -0.491 118.828 119.300 0.030 0.000 2.440 471 C HA -0.050 4.374 4.460 -0.060 0.000 0.278 471 C C 2.608 177.628 174.990 0.050 0.000 1.295 471 C CA 0.570 59.616 59.018 0.047 0.000 1.738 471 C CB -1.798 25.965 27.740 0.038 0.000 1.987 471 C HN 0.632 nan 8.230 nan 0.000 0.492 472 N N 1.762 120.480 118.700 0.029 0.000 2.049 472 N HA -0.175 4.529 4.740 -0.060 0.000 0.198 472 N C 1.842 177.367 175.510 0.025 0.000 1.030 472 N CA 2.223 55.286 53.050 0.023 0.000 0.870 472 N CB -0.367 38.131 38.487 0.019 0.000 1.045 472 N HN 0.545 nan 8.380 nan 0.000 0.434 473 S N 1.029 116.743 115.700 0.023 0.000 2.359 473 S HA -0.128 4.306 4.470 -0.060 0.000 0.222 473 S C 2.322 176.925 174.600 0.005 0.000 1.038 473 S CA 1.529 59.737 58.200 0.015 0.000 1.051 473 S CB -0.831 62.378 63.200 0.014 0.000 0.944 473 S HN 0.152 nan 8.310 nan 0.000 0.433 474 V N 2.094 122.013 119.914 0.009 0.000 2.439 474 V HA -0.208 3.877 4.120 -0.060 0.000 0.253 474 V C 2.018 178.091 176.094 -0.035 0.000 1.074 474 V CA 1.641 63.929 62.300 -0.020 0.000 1.076 474 V CB -0.892 30.939 31.823 0.012 0.000 0.664 474 V HN 0.474 nan 8.190 nan 0.000 0.461 475 I N -0.837 119.750 120.570 0.028 0.000 2.703 475 I HA -0.060 4.074 4.170 -0.060 0.000 0.259 475 I C 2.548 178.668 176.117 0.004 0.000 1.151 475 I CA 0.765 62.091 61.300 0.043 0.000 1.470 475 I CB -0.290 37.757 38.000 0.077 0.000 1.112 475 I HN 0.187 nan 8.210 nan 0.000 0.437 476 R N 0.578 121.080 120.500 0.003 0.000 2.280 476 R HA -0.100 4.205 4.340 -0.060 0.000 0.207 476 R C 2.059 178.357 176.300 -0.003 0.000 1.043 476 R CA 0.621 56.724 56.100 0.005 0.000 1.006 476 R CB -0.024 30.282 30.300 0.010 0.000 0.885 476 R HN 0.395 nan 8.270 nan 0.000 0.467 477 Q N 0.349 120.135 119.800 -0.024 0.000 2.123 477 Q HA -0.042 4.262 4.340 -0.060 0.000 0.199 477 Q C 2.148 178.121 176.000 -0.045 0.000 0.966 477 Q CA 0.846 56.626 55.803 -0.039 0.000 0.845 477 Q CB -0.090 28.609 28.738 -0.066 0.000 0.907 477 Q HN 0.295 nan 8.270 nan 0.000 0.439 478 L N -0.470 120.719 121.223 -0.057 0.000 2.005 478 L HA -0.004 4.300 4.340 -0.060 0.000 0.207 478 L C 0.950 177.822 176.870 0.004 0.000 1.072 478 L CA 1.155 55.965 54.840 -0.050 0.000 0.744 478 L CB -0.205 41.818 42.059 -0.060 0.000 0.895 478 L HN 0.244 nan 8.230 nan 0.000 0.433 479 M N -0.480 119.139 119.600 0.031 0.000 2.598 479 M HA 0.293 4.737 4.480 -0.060 0.000 0.317 479 M C -0.246 176.089 176.300 0.059 0.000 1.179 479 M CA -0.358 54.984 55.300 0.070 0.000 0.936 479 M CB 2.177 34.871 32.600 0.156 0.000 1.713 479 M HN -0.081 nan 8.290 nan 0.000 0.460 480 K N 2.164 122.601 120.400 0.061 0.000 2.274 480 K HA 0.339 4.623 4.320 -0.060 0.000 0.262 480 K C -0.919 175.721 176.600 0.066 0.000 0.961 480 K CA -0.471 55.848 56.287 0.054 0.000 0.833 480 K CB 1.612 34.139 32.500 0.046 0.000 1.102 480 K HN 0.677 nan 8.250 nan 0.000 0.436 481 K N 5.270 125.707 120.400 0.062 0.000 2.250 481 K HA 0.073 4.357 4.320 -0.060 0.000 0.280 481 K C 0.325 176.959 176.600 0.056 0.000 1.098 481 K CA -0.277 56.045 56.287 0.058 0.000 0.916 481 K CB 0.820 33.354 32.500 0.057 0.000 1.209 481 K HN 0.577 nan 8.250 nan 0.000 0.461 482 E N 3.426 123.659 120.200 0.055 0.000 1.997 482 E HA -0.079 4.236 4.350 -0.060 0.000 0.196 482 E C 0.569 177.247 176.600 0.130 0.000 0.990 482 E CA 1.286 57.734 56.400 0.081 0.000 0.845 482 E CB -0.190 29.559 29.700 0.081 0.000 0.795 482 E HN 0.577 nan 8.360 nan 0.000 0.479 483 F N -0.336 119.627 119.950 0.021 0.000 2.671 483 F HA 0.676 5.168 4.527 -0.060 0.000 0.373 483 F C -0.139 175.684 175.800 0.039 0.000 1.122 483 F CA -0.957 57.047 58.000 0.006 0.000 1.082 483 F CB 1.345 40.312 39.000 -0.055 0.000 1.399 483 F HN -0.092 nan 8.300 nan 0.000 0.509 484 T N 0.348 115.073 114.554 0.286 0.000 2.982 484 T HA 0.545 4.859 4.350 -0.060 0.000 0.321 484 T C -1.729 173.048 174.700 0.129 0.000 1.229 484 T CA -0.840 61.334 62.100 0.123 0.000 1.044 484 T CB 1.157 70.074 68.868 0.082 0.000 1.184 484 T HN 0.844 nan 8.240 nan 0.000 0.477 485 L N 3.692 124.912 121.223 -0.005 0.000 2.264 485 L HA 0.503 4.807 4.340 -0.060 0.000 0.287 485 L C 0.289 177.196 176.870 0.062 0.000 1.039 485 L CA -1.028 53.675 54.840 -0.228 0.000 0.829 485 L CB 0.824 42.554 42.059 -0.549 0.000 1.211 485 L HN 0.713 nan 8.230 nan 0.000 0.427 486 E N 1.777 122.125 120.200 0.247 0.000 2.425 486 E HA 0.092 4.406 4.350 -0.060 0.000 0.258 486 E C -0.349 176.438 176.600 0.312 0.000 1.151 486 E CA -0.335 56.240 56.400 0.293 0.000 0.958 486 E CB 0.455 30.349 29.700 0.323 0.000 0.968 486 E HN 0.282 nan 8.360 nan 0.000 0.451 487 F N 1.237 121.285 119.950 0.164 0.000 2.586 487 F HA 0.151 4.642 4.527 -0.060 0.000 0.344 487 F C 0.175 176.064 175.800 0.149 0.000 1.188 487 F CA 0.627 58.711 58.000 0.140 0.000 1.359 487 F CB 0.494 39.556 39.000 0.102 0.000 1.129 487 F HN 0.392 nan 8.300 nan 0.000 0.609 488 S N 4.875 120.344 115.700 -0.385 0.000 2.592 488 S HA 0.379 4.813 4.470 -0.060 0.000 0.275 488 S C 0.277 174.759 174.600 -0.195 0.000 1.169 488 S CA -1.141 57.023 58.200 -0.061 0.000 0.958 488 S CB 1.878 65.057 63.200 -0.035 0.000 1.095 488 S HN 0.689 nan 8.310 nan 0.000 0.471 489 R N 1.828 122.418 120.500 0.149 0.000 2.204 489 R HA -0.199 4.105 4.340 -0.060 0.000 0.253 489 R C 1.618 177.931 176.300 0.021 0.000 1.172 489 R CA 2.250 58.459 56.100 0.183 0.000 0.994 489 R CB -0.914 29.486 30.300 0.167 0.000 0.874 489 R HN 0.966 nan 8.270 nan 0.000 0.462 490 D N 0.627 121.007 120.400 -0.032 0.000 2.077 490 D HA -0.199 4.405 4.640 -0.060 0.000 0.196 490 D C 1.805 178.061 176.300 -0.073 0.000 0.986 490 D CA 1.523 55.498 54.000 -0.041 0.000 0.829 490 D CB -0.192 40.581 40.800 -0.045 0.000 0.983 490 D HN 0.362 nan 8.370 nan 0.000 0.453 491 R N -1.019 119.399 120.500 -0.136 0.000 2.334 491 R HA 0.254 4.558 4.340 -0.060 0.000 0.212 491 R C 0.357 176.544 176.300 -0.189 0.000 0.897 491 R CA -0.073 55.950 56.100 -0.128 0.000 1.056 491 R CB 0.053 30.291 30.300 -0.103 0.000 1.046 491 R HN -0.082 nan 8.270 nan 0.000 0.513 492 K N 0.983 121.166 120.400 -0.362 0.000 3.129 492 K HA -0.172 4.112 4.320 -0.060 0.000 0.273 492 K C -1.175 175.202 176.600 -0.372 0.000 1.123 492 K CA 0.960 57.029 56.287 -0.364 0.000 0.800 492 K CB -1.505 30.985 32.500 -0.015 0.000 1.238 492 K HN 0.727 nan 8.250 nan 0.000 0.492 493 S N -1.752 113.591 115.700 -0.595 0.000 2.752 493 S HA 0.865 5.300 4.470 -0.060 0.000 0.284 493 S C -0.724 173.817 174.600 -0.099 0.000 1.189 493 S CA -0.699 57.412 58.200 -0.149 0.000 0.835 493 S CB 1.944 65.120 63.200 -0.039 0.000 1.192 493 S HN 0.549 nan 8.310 nan 0.000 0.506 494 M N -0.505 119.149 119.600 0.089 0.000 2.562 494 M HA 0.811 5.256 4.480 -0.060 0.000 0.281 494 M C -1.524 174.836 176.300 0.100 0.000 1.195 494 M CA -0.490 54.882 55.300 0.120 0.000 0.888 494 M CB 1.885 34.624 32.600 0.233 0.000 1.731 494 M HN 1.152 nan 8.290 nan 0.000 0.493 495 S N 0.661 116.402 115.700 0.069 0.000 2.537 495 S HA 0.899 5.333 4.470 -0.060 0.000 0.270 495 S C -0.964 173.641 174.600 0.008 0.000 1.142 495 S CA -0.292 57.936 58.200 0.047 0.000 0.870 495 S CB 1.738 64.953 63.200 0.024 0.000 1.112 495 S HN 1.928 nan 8.310 nan 0.000 0.466 496 V N 0.013 119.927 119.914 -0.001 0.000 2.769 496 V HA 0.759 4.844 4.120 -0.060 0.000 0.312 496 V C -1.245 174.737 176.094 -0.187 0.000 1.061 496 V CA -0.961 61.306 62.300 -0.057 0.000 0.931 496 V CB 1.308 33.160 31.823 0.049 0.000 1.010 496 V HN 0.996 nan 8.190 nan 0.000 0.433 497 Y N 3.029 122.997 120.300 -0.553 0.000 2.320 497 Y HA 0.719 5.233 4.550 -0.060 0.000 0.334 497 Y C -0.039 175.635 175.900 -0.378 0.000 1.055 497 Y CA -0.249 57.461 58.100 -0.650 0.000 1.143 497 Y CB 1.145 38.813 38.460 -1.320 0.000 1.193 497 Y HN 1.005 nan 8.280 nan 0.000 0.477 498 C N 4.044 123.135 119.300 -0.349 0.000 2.626 498 C HA 0.721 5.145 4.460 -0.060 0.000 0.310 498 C C -0.727 174.190 174.990 -0.121 0.000 1.191 498 C CA -0.899 58.057 59.018 -0.104 0.000 1.517 498 C CB 0.924 28.701 27.740 0.061 0.000 2.102 498 C HN 0.905 nan 8.230 nan 0.000 0.479 499 S N 2.238 117.950 115.700 0.020 0.000 2.566 499 S HA 0.831 5.265 4.470 -0.060 0.000 0.298 499 S C -3.177 171.442 174.600 0.032 0.000 1.083 499 S CA -1.288 56.926 58.200 0.025 0.000 0.978 499 S CB 1.608 64.855 63.200 0.078 0.000 1.073 499 S HN 0.498 nan 8.310 nan 0.000 0.491 500 P HA 0.515 nan 4.420 nan 0.000 0.274 500 P C 0.076 177.386 177.300 0.017 0.000 1.256 500 P CA -0.430 62.684 63.100 0.022 0.000 0.795 500 P CB 0.786 32.493 31.700 0.013 0.000 1.038 501 A N -0.024 122.801 122.820 0.008 0.000 2.007 501 A HA 0.306 4.591 4.320 -0.060 0.000 0.200 501 A C 0.885 178.466 177.584 -0.004 0.000 2.019 501 A CA 1.017 53.056 52.037 0.003 0.000 1.002 501 A CB -0.564 18.436 19.000 -0.000 0.000 1.213 501 A HN 0.449 nan 8.150 nan 0.000 0.635 502 K N -0.097 120.294 120.400 -0.014 0.000 2.583 502 K HA 0.471 4.756 4.320 -0.060 0.000 0.263 502 K C 0.415 177.003 176.600 -0.019 0.000 1.038 502 K CA 0.012 56.289 56.287 -0.018 0.000 1.031 502 K CB 1.019 33.502 32.500 -0.027 0.000 1.399 502 K HN 0.125 nan 8.250 nan 0.000 0.531 503 S N 1.012 116.700 115.700 -0.021 0.000 3.800 503 S HA 0.010 4.444 4.470 -0.060 0.000 0.174 503 S C 0.048 174.635 174.600 -0.021 0.000 1.061 503 S CA 0.234 58.423 58.200 -0.018 0.000 0.993 503 S CB -1.566 61.624 63.200 -0.017 0.000 1.535 503 S HN 0.540 nan 8.310 nan 0.000 0.457 504 S N 3.063 118.753 115.700 -0.018 0.000 2.713 504 S HA 0.508 4.942 4.470 -0.060 0.000 0.213 504 S C 1.169 175.764 174.600 -0.008 0.000 1.176 504 S CA -0.755 57.434 58.200 -0.020 0.000 1.256 504 S CB 0.272 63.462 63.200 -0.017 0.000 0.951 504 S HN 0.547 nan 8.310 nan 0.000 0.506 505 R N -0.423 120.077 120.500 0.001 0.000 2.716 505 R HA 0.417 4.721 4.340 -0.060 0.000 0.186 505 R C 0.792 177.097 176.300 0.008 0.000 0.830 505 R CA 0.521 56.625 56.100 0.006 0.000 1.059 505 R CB -0.197 30.111 30.300 0.013 0.000 1.531 505 R HN 0.686 nan 8.270 nan 0.000 0.633 506 A N 1.715 124.544 122.820 0.014 0.000 2.644 506 A HA 0.342 4.626 4.320 -0.060 0.000 0.230 506 A C 0.300 177.884 177.584 0.001 0.000 1.080 506 A CA 1.263 53.307 52.037 0.011 0.000 0.773 506 A CB 0.019 19.031 19.000 0.020 0.000 1.007 506 A HN 0.566 nan 8.150 nan 0.000 0.512 507 A N -1.329 121.487 122.820 -0.006 0.000 2.429 507 A HA 0.576 4.860 4.320 -0.060 0.000 0.295 507 A C 0.778 178.354 177.584 -0.013 0.000 1.032 507 A CA 0.549 52.581 52.037 -0.007 0.000 0.572 507 A CB -0.907 18.091 19.000 -0.004 0.000 1.487 507 A HN 2.357 nan 8.150 nan 0.000 0.632 508 V N -3.139 116.769 119.914 -0.010 0.000 1.453 508 V HA 0.016 4.101 4.120 -0.060 0.000 0.040 508 V C 1.780 177.866 176.094 -0.015 0.000 1.460 508 V CA 2.306 64.599 62.300 -0.012 0.000 2.285 508 V CB -2.273 29.539 31.823 -0.017 0.000 1.629 508 V HN 2.863 nan 8.190 nan 0.000 0.876 509 G N -0.492 108.296 108.800 -0.021 0.000 2.343 509 G HA2 0.413 4.337 3.960 -0.060 0.000 0.289 509 G HA3 0.413 4.337 3.960 -0.060 0.000 0.289 509 G C -1.196 173.666 174.900 -0.062 0.000 1.295 509 G CA -0.226 44.857 45.100 -0.028 0.000 0.869 509 G HN 0.712 nan 8.290 nan 0.000 0.522 510 N N -0.392 118.243 118.700 -0.109 0.000 2.906 510 N HA 0.732 5.437 4.740 -0.060 0.000 0.327 510 N C -1.190 174.091 175.510 -0.382 0.000 1.344 510 N CA -0.902 52.017 53.050 -0.219 0.000 0.823 510 N CB 1.676 40.032 38.487 -0.219 0.000 1.351 510 N HN 0.411 nan 8.380 nan 0.000 0.604 511 K N 0.412 120.449 120.400 -0.604 0.000 2.477 511 K HA 0.433 4.717 4.320 -0.060 0.000 0.255 511 K C -1.002 174.971 176.600 -1.045 0.000 0.952 511 K CA -0.398 55.453 56.287 -0.727 0.000 0.826 511 K CB 2.282 34.354 32.500 -0.714 0.000 1.331 511 K HN 0.521 nan 8.250 nan 0.000 0.437 512 M N 1.505 120.619 119.600 -0.809 0.000 2.318 512 M HA 0.409 4.853 4.480 -0.060 0.000 0.347 512 M C -0.947 174.997 176.300 -0.593 0.000 1.175 512 M CA -0.534 54.373 55.300 -0.655 0.000 1.075 512 M CB 0.562 32.971 32.600 -0.319 0.000 1.614 512 M HN 0.330 nan 8.290 nan 0.000 0.456 513 F N 2.523 122.404 119.950 -0.115 0.000 2.382 513 F HA 0.456 4.947 4.527 -0.060 0.000 0.361 513 F C -0.321 175.455 175.800 -0.040 0.000 1.109 513 F CA -1.001 56.956 58.000 -0.072 0.000 1.031 513 F CB 0.785 39.742 39.000 -0.071 0.000 1.234 513 F HN 0.130 nan 8.300 nan 0.000 0.445 514 V N 3.357 123.358 119.914 0.144 0.000 2.617 514 V HA 0.543 4.627 4.120 -0.060 0.000 0.298 514 V C -0.217 175.935 176.094 0.096 0.000 1.048 514 V CA -1.067 61.292 62.300 0.098 0.000 0.964 514 V CB 1.857 33.725 31.823 0.075 0.000 1.004 514 V HN 0.648 nan 8.190 nan 0.000 0.466 515 K N 2.324 122.783 120.400 0.098 0.000 2.656 515 K HA 0.648 4.932 4.320 -0.060 0.000 0.253 515 K C -0.519 176.163 176.600 0.135 0.000 1.002 515 K CA -0.122 56.223 56.287 0.096 0.000 0.880 515 K CB 1.554 34.107 32.500 0.087 0.000 1.232 515 K HN 0.969 nan 8.250 nan 0.000 0.456 516 G N 1.664 110.545 108.800 0.135 0.000 2.731 516 G HA2 0.654 4.578 3.960 -0.060 0.000 0.309 516 G HA3 0.654 4.578 3.960 -0.060 0.000 0.309 516 G C -1.271 173.729 174.900 0.167 0.000 1.273 516 G CA -0.436 44.777 45.100 0.187 0.000 0.798 516 G HN 0.645 nan 8.290 nan 0.000 0.509 517 A N 0.206 123.134 122.820 0.179 0.000 2.406 517 A HA 0.680 4.964 4.320 -0.060 0.000 0.243 517 A C -1.574 176.072 177.584 0.104 0.000 1.082 517 A CA -0.462 51.659 52.037 0.140 0.000 0.786 517 A CB -0.018 19.068 19.000 0.143 0.000 1.029 517 A HN 0.380 nan 8.150 nan 0.000 0.495 518 P HA -0.043 nan 4.420 nan 0.000 0.286 518 P C 0.802 178.130 177.300 0.046 0.000 1.394 518 P CA 0.831 63.973 63.100 0.071 0.000 0.763 518 P CB -0.005 31.729 31.700 0.057 0.000 1.632 519 E N -0.802 119.407 120.200 0.016 0.000 2.853 519 E HA -0.369 3.945 4.350 -0.060 0.000 0.230 519 E C 2.032 178.638 176.600 0.010 0.000 0.973 519 E CA 2.532 58.933 56.400 0.000 0.000 1.658 519 E CB -2.492 27.210 29.700 0.003 0.000 1.570 519 E HN 0.494 nan 8.360 nan 0.000 0.441 520 G N 0.340 109.155 108.800 0.024 0.000 2.574 520 G HA2 -0.311 3.613 3.960 -0.060 0.000 0.220 520 G HA3 -0.311 3.613 3.960 -0.060 0.000 0.220 520 G C 1.765 176.681 174.900 0.026 0.000 1.173 520 G CA 2.065 47.178 45.100 0.021 0.000 0.772 520 G HN 0.289 nan 8.290 nan 0.000 0.585 521 V N 0.690 120.634 119.914 0.049 0.000 2.535 521 V HA 0.033 4.117 4.120 -0.060 0.000 0.246 521 V C 2.760 178.898 176.094 0.074 0.000 1.045 521 V CA 1.216 63.559 62.300 0.072 0.000 1.058 521 V CB -0.120 31.768 31.823 0.107 0.000 0.689 521 V HN 0.410 nan 8.190 nan 0.000 0.461 522 I N -0.441 120.158 120.570 0.048 0.000 2.286 522 I HA -0.172 3.962 4.170 -0.060 0.000 0.245 522 I C 2.126 178.227 176.117 -0.027 0.000 1.104 522 I CA 1.361 62.658 61.300 -0.004 0.000 1.397 522 I CB -0.461 37.486 38.000 -0.089 0.000 1.072 522 I HN 0.276 nan 8.210 nan 0.000 0.417 523 D N 1.195 121.582 120.400 -0.022 0.000 2.354 523 D HA -0.132 4.472 4.640 -0.060 0.000 0.216 523 D C 1.626 177.913 176.300 -0.021 0.000 0.970 523 D CA 0.902 54.885 54.000 -0.027 0.000 0.905 523 D CB 0.077 40.864 40.800 -0.021 0.000 0.903 523 D HN 0.394 nan 8.370 nan 0.000 0.508 524 R N -0.612 119.886 120.500 -0.003 0.000 2.468 524 R HA 0.171 4.475 4.340 -0.060 0.000 0.280 524 R C -0.031 176.273 176.300 0.006 0.000 0.963 524 R CA -0.149 55.952 56.100 0.002 0.000 1.083 524 R CB 0.655 30.964 30.300 0.016 0.000 1.200 524 R HN 0.041 nan 8.270 nan 0.000 0.541 525 C N 1.168 120.470 119.300 0.002 0.000 2.303 525 C HA 0.360 4.785 4.460 -0.060 0.000 0.326 525 C C 1.264 176.192 174.990 -0.103 0.000 1.285 525 C CA -1.023 57.997 59.018 0.004 0.000 1.675 525 C CB 0.832 28.629 27.740 0.095 0.000 2.289 525 C HN 0.442 nan 8.230 nan 0.000 0.512 526 N N 0.432 118.976 118.700 -0.259 0.000 2.392 526 N HA 0.054 4.759 4.740 -0.060 0.000 0.177 526 N C -0.587 174.534 175.510 -0.648 0.000 1.066 526 N CA 0.734 53.472 53.050 -0.520 0.000 0.895 526 N CB 0.357 38.372 38.487 -0.786 0.000 0.988 526 N HN 0.701 nan 8.380 nan 0.000 0.457 527 Y N -0.335 119.998 120.300 0.056 0.000 2.524 527 Y HA 0.534 5.049 4.550 -0.060 0.000 0.344 527 Y C 0.072 176.036 175.900 0.106 0.000 1.012 527 Y CA -0.973 57.166 58.100 0.064 0.000 1.068 527 Y CB 1.508 39.999 38.460 0.052 0.000 1.249 527 Y HN -0.404 nan 8.280 nan 0.000 0.468 528 V N 2.646 122.721 119.914 0.268 0.000 2.495 528 V HA 0.464 4.548 4.120 -0.060 0.000 0.298 528 V C -0.445 175.772 176.094 0.204 0.000 1.031 528 V CA -1.082 61.373 62.300 0.259 0.000 0.871 528 V CB 1.761 33.707 31.823 0.205 0.000 0.988 528 V HN 0.694 nan 8.190 nan 0.000 0.432 529 R N 3.855 124.457 120.500 0.170 0.000 2.234 529 R HA 0.549 4.853 4.340 -0.060 0.000 0.324 529 R C -1.243 175.118 176.300 0.102 0.000 1.054 529 R CA -0.188 55.973 56.100 0.101 0.000 0.912 529 R CB 0.903 31.231 30.300 0.047 0.000 1.030 529 R HN 0.532 nan 8.270 nan 0.000 0.455 530 V N 5.894 125.863 119.914 0.091 0.000 2.326 530 V HA 0.542 4.626 4.120 -0.060 0.000 0.281 530 V C 1.029 177.168 176.094 0.074 0.000 1.015 530 V CA 0.123 62.477 62.300 0.090 0.000 0.823 530 V CB 0.337 32.211 31.823 0.084 0.000 1.009 530 V HN 1.138 nan 8.190 nan 0.000 0.436 531 G N 5.203 114.051 108.800 0.080 0.000 2.523 531 G HA2 -0.297 3.628 3.960 -0.060 0.000 0.271 531 G HA3 -0.297 3.628 3.960 -0.060 0.000 0.271 531 G C 0.785 175.713 174.900 0.047 0.000 1.146 531 G CA 0.688 45.829 45.100 0.068 0.000 0.961 531 G HN 1.388 nan 8.290 nan 0.000 0.549 532 T N -0.984 113.591 114.554 0.034 0.000 3.092 532 T HA 0.503 4.818 4.350 -0.060 0.000 0.258 532 T C 1.265 175.978 174.700 0.022 0.000 1.031 532 T CA 1.533 63.648 62.100 0.025 0.000 0.925 532 T CB -0.101 68.779 68.868 0.020 0.000 1.036 532 T HN 1.691 nan 8.240 nan 0.000 0.544 533 T N -0.026 114.545 114.554 0.028 0.000 2.865 533 T HA 0.579 4.894 4.350 -0.060 0.000 0.302 533 T C -0.161 174.555 174.700 0.027 0.000 1.078 533 T CA -0.929 61.184 62.100 0.022 0.000 0.942 533 T CB 1.468 70.352 68.868 0.027 0.000 1.387 533 T HN 0.528 nan 8.240 nan 0.000 0.557 534 R N -0.579 119.934 120.500 0.023 0.000 2.594 534 R HA 0.585 4.889 4.340 -0.060 0.000 0.265 534 R C -2.021 174.311 176.300 0.053 0.000 1.070 534 R CA -0.749 55.373 56.100 0.036 0.000 0.909 534 R CB 1.925 32.211 30.300 -0.023 0.000 1.243 534 R HN 0.937 nan 8.270 nan 0.000 0.455 535 V N -0.382 119.602 119.914 0.117 0.000 3.120 535 V HA 0.692 4.776 4.120 -0.060 0.000 0.303 535 V C -2.915 173.307 176.094 0.213 0.000 1.238 535 V CA -2.145 60.235 62.300 0.134 0.000 1.008 535 V CB 2.102 33.984 31.823 0.098 0.000 1.064 535 V HN 0.717 nan 8.190 nan 0.000 0.434 536 P HA 0.276 nan 4.420 nan 0.000 0.276 536 P C -0.366 176.977 177.300 0.070 0.000 1.230 536 P CA -0.237 62.972 63.100 0.181 0.000 0.776 536 P CB 0.860 32.638 31.700 0.130 0.000 0.888 537 M N 3.693 123.295 119.600 0.003 0.000 2.303 537 M HA 0.096 4.540 4.480 -0.060 0.000 0.350 537 M C -0.529 175.749 176.300 -0.036 0.000 1.518 537 M CA 1.286 56.572 55.300 -0.024 0.000 1.070 537 M CB -0.489 32.072 32.600 -0.065 0.000 1.910 537 M HN 0.320 nan 8.290 nan 0.000 0.458 538 T N 3.248 117.785 114.554 -0.029 0.000 2.942 538 T HA 0.606 4.920 4.350 -0.060 0.000 0.289 538 T C 1.218 175.891 174.700 -0.045 0.000 1.044 538 T CA -0.548 61.535 62.100 -0.029 0.000 1.023 538 T CB 1.404 70.264 68.868 -0.013 0.000 1.123 538 T HN 0.769 nan 8.240 nan 0.000 0.512 539 G N 2.057 110.833 108.800 -0.040 0.000 2.672 539 G HA2 -0.189 3.736 3.960 -0.060 0.000 0.218 539 G HA3 -0.189 3.736 3.960 -0.060 0.000 0.218 539 G C -0.582 174.285 174.900 -0.054 0.000 1.238 539 G CA 1.068 46.141 45.100 -0.046 0.000 0.791 539 G HN 0.648 nan 8.290 nan 0.000 0.606 540 P HA -0.091 nan 4.420 nan 0.000 0.216 540 P C 2.054 179.311 177.300 -0.072 0.000 1.150 540 P CA 1.497 64.569 63.100 -0.047 0.000 0.843 540 P CB -0.252 31.433 31.700 -0.025 0.000 0.787 541 V N 0.645 120.517 119.914 -0.070 0.000 2.283 541 V HA -0.189 3.895 4.120 -0.060 0.000 0.243 541 V C 2.792 178.807 176.094 -0.131 0.000 1.039 541 V CA 2.019 64.265 62.300 -0.090 0.000 1.016 541 V CB -1.228 30.559 31.823 -0.060 0.000 0.650 541 V HN 0.078 nan 8.190 nan 0.000 0.449 542 K N -0.082 120.240 120.400 -0.129 0.000 2.103 542 K HA -0.209 4.075 4.320 -0.060 0.000 0.207 542 K C 2.162 178.676 176.600 -0.144 0.000 1.048 542 K CA 1.550 57.742 56.287 -0.159 0.000 0.930 542 K CB -0.057 32.368 32.500 -0.125 0.000 0.716 542 K HN 0.439 nan 8.250 nan 0.000 0.444 543 E N 0.794 120.926 120.200 -0.114 0.000 2.072 543 E HA -0.155 4.159 4.350 -0.060 0.000 0.191 543 E C 1.795 178.320 176.600 -0.125 0.000 0.985 543 E CA 0.756 57.094 56.400 -0.103 0.000 0.801 543 E CB -0.136 29.517 29.700 -0.079 0.000 0.750 543 E HN 0.202 nan 8.360 nan 0.000 0.452 544 K N 0.992 121.306 120.400 -0.142 0.000 1.988 544 K HA -0.152 4.133 4.320 -0.060 0.000 0.221 544 K C 2.343 178.809 176.600 -0.222 0.000 1.053 544 K CA 1.292 57.466 56.287 -0.188 0.000 0.959 544 K CB -0.780 31.599 32.500 -0.202 0.000 0.728 544 K HN 0.142 nan 8.250 nan 0.000 0.447 545 I N 1.296 121.746 120.570 -0.200 0.000 2.181 545 I HA -0.359 3.775 4.170 -0.060 0.000 0.247 545 I C 2.418 178.461 176.117 -0.124 0.000 1.081 545 I CA 1.393 62.610 61.300 -0.139 0.000 1.340 545 I CB -0.329 37.505 38.000 -0.277 0.000 1.036 545 I HN 0.171 nan 8.210 nan 0.000 0.417 546 L N 0.051 121.189 121.223 -0.142 0.000 2.095 546 L HA -0.146 4.158 4.340 -0.060 0.000 0.204 546 L C 2.848 179.649 176.870 -0.115 0.000 1.080 546 L CA 1.435 56.210 54.840 -0.108 0.000 0.759 546 L CB -0.612 41.390 42.059 -0.094 0.000 0.914 546 L HN 0.364 nan 8.230 nan 0.000 0.439 547 S N -0.261 115.358 115.700 -0.135 0.000 2.402 547 S HA -0.163 4.271 4.470 -0.060 0.000 0.233 547 S C 1.792 176.284 174.600 -0.180 0.000 1.030 547 S CA 1.655 59.775 58.200 -0.134 0.000 1.003 547 S CB -0.529 62.590 63.200 -0.135 0.000 0.813 547 S HN 0.201 nan 8.310 nan 0.000 0.477 548 V N 1.471 121.212 119.914 -0.288 0.000 2.500 548 V HA 0.098 4.182 4.120 -0.060 0.000 0.243 548 V C 2.427 178.243 176.094 -0.463 0.000 1.039 548 V CA 1.278 63.293 62.300 -0.474 0.000 1.053 548 V CB -0.648 30.673 31.823 -0.837 0.000 0.695 548 V HN 0.481 nan 8.190 nan 0.000 0.463 549 I N 0.653 121.064 120.570 -0.265 0.000 2.264 549 I HA -0.293 3.841 4.170 -0.060 0.000 0.248 549 I C 2.522 178.641 176.117 0.003 0.000 1.111 549 I CA 1.940 63.188 61.300 -0.087 0.000 1.382 549 I CB -0.362 37.638 38.000 0.000 0.000 1.060 549 I HN 0.305 nan 8.210 nan 0.000 0.418 550 K N 1.464 121.844 120.400 -0.033 0.000 2.025 550 K HA -0.243 4.042 4.320 -0.060 0.000 0.207 550 K C 2.131 178.756 176.600 0.042 0.000 1.049 550 K CA 1.678 57.968 56.287 0.006 0.000 0.933 550 K CB -0.154 32.335 32.500 -0.020 0.000 0.714 550 K HN 0.339 nan 8.250 nan 0.000 0.438 551 E N -0.441 119.771 120.200 0.020 0.000 2.038 551 E HA -0.229 4.085 4.350 -0.060 0.000 0.195 551 E C 1.600 178.350 176.600 0.249 0.000 1.000 551 E CA 1.503 57.958 56.400 0.091 0.000 0.803 551 E CB -0.240 29.491 29.700 0.052 0.000 0.750 551 E HN 0.432 nan 8.360 nan 0.000 0.448 552 W N 0.490 121.802 121.300 0.020 0.000 2.363 552 W HA 0.051 4.675 4.660 -0.060 0.000 0.296 552 W C 2.469 179.004 176.519 0.026 0.000 1.212 552 W CA 1.407 58.770 57.345 0.031 0.000 1.260 552 W CB -1.121 28.380 29.460 0.068 0.000 1.131 552 W HN 0.297 nan 8.180 nan 0.000 0.530 553 G N -2.312 106.651 108.800 0.271 0.000 2.453 553 G HA2 -0.123 3.801 3.960 -0.060 0.000 0.215 553 G HA3 -0.123 3.801 3.960 -0.060 0.000 0.215 553 G C 1.363 176.325 174.900 0.103 0.000 1.147 553 G CA 1.363 46.562 45.100 0.165 0.000 0.802 553 G HN 0.227 nan 8.290 nan 0.000 0.535 554 T N 0.075 114.685 114.554 0.093 0.000 3.092 554 T HA 0.437 4.752 4.350 -0.060 0.000 0.258 554 T C 1.352 176.083 174.700 0.051 0.000 1.031 554 T CA 0.488 62.621 62.100 0.055 0.000 0.925 554 T CB -0.136 68.754 68.868 0.037 0.000 1.036 554 T HN 0.304 nan 8.240 nan 0.000 0.544 555 G N 1.116 109.960 108.800 0.073 0.000 2.494 555 G HA2 0.275 4.200 3.960 -0.060 0.000 0.270 555 G HA3 0.275 4.200 3.960 -0.060 0.000 0.270 555 G C 0.676 175.595 174.900 0.031 0.000 1.423 555 G CA -0.665 44.470 45.100 0.058 0.000 1.055 555 G HN 0.508 nan 8.290 nan 0.000 0.536 556 R N -0.621 119.889 120.500 0.017 0.000 2.334 556 R HA 0.189 4.493 4.340 -0.060 0.000 0.220 556 R C 0.093 176.384 176.300 -0.015 0.000 0.917 556 R CA 0.433 56.534 56.100 0.001 0.000 1.073 556 R CB 0.262 30.560 30.300 -0.004 0.000 1.056 556 R HN 0.374 nan 8.270 nan 0.000 0.506 557 D N 1.548 121.938 120.400 -0.017 0.000 2.301 557 D HA -0.080 4.524 4.640 -0.060 0.000 0.206 557 D C 0.344 176.626 176.300 -0.030 0.000 0.979 557 D CA 1.510 55.481 54.000 -0.049 0.000 0.874 557 D CB 0.186 40.927 40.800 -0.098 0.000 0.968 557 D HN 0.356 nan 8.370 nan 0.000 0.510 558 T N -0.306 114.251 114.554 0.005 0.000 3.803 558 T HA -0.225 4.089 4.350 -0.060 0.000 0.376 558 T C 0.139 174.850 174.700 0.019 0.000 0.761 558 T CA 0.191 62.301 62.100 0.017 0.000 1.962 558 T CB -2.669 66.200 68.868 0.001 0.000 1.780 558 T HN 0.183 nan 8.240 nan 0.000 0.771 559 L N 0.277 121.527 121.223 0.044 0.000 2.357 559 L HA 0.592 4.896 4.340 -0.060 0.000 0.273 559 L C 1.088 178.010 176.870 0.087 0.000 1.080 559 L CA -1.094 53.774 54.840 0.046 0.000 0.803 559 L CB 1.212 43.298 42.059 0.046 0.000 1.174 559 L HN 0.396 nan 8.230 nan 0.000 0.443 560 R N 1.730 122.273 120.500 0.071 0.000 2.338 560 R HA 0.459 4.764 4.340 -0.060 0.000 0.317 560 R C -1.468 174.899 176.300 0.112 0.000 0.968 560 R CA -0.420 55.730 56.100 0.084 0.000 0.849 560 R CB 1.282 31.613 30.300 0.052 0.000 1.128 560 R HN 0.667 nan 8.270 nan 0.000 0.448 561 C N 4.619 124.001 119.300 0.136 0.000 2.391 561 C HA 0.599 5.023 4.460 -0.060 0.000 0.339 561 C C -0.656 174.404 174.990 0.116 0.000 1.205 561 C CA -0.777 58.336 59.018 0.159 0.000 1.937 561 C CB 0.998 28.855 27.740 0.195 0.000 2.341 561 C HN 0.664 nan 8.230 nan 0.000 0.516 562 L N 2.329 123.612 121.223 0.100 0.000 2.365 562 L HA 0.685 4.989 4.340 -0.060 0.000 0.273 562 L C 0.424 177.331 176.870 0.063 0.000 1.000 562 L CA -0.027 54.863 54.840 0.083 0.000 0.819 562 L CB 1.318 43.417 42.059 0.067 0.000 1.284 562 L HN 0.843 nan 8.230 nan 0.000 0.418 563 A N 4.440 127.314 122.820 0.090 0.000 2.327 563 A HA 0.816 5.100 4.320 -0.060 0.000 0.283 563 A C -0.773 176.838 177.584 0.045 0.000 1.127 563 A CA -0.345 51.760 52.037 0.113 0.000 0.810 563 A CB 0.305 19.423 19.000 0.196 0.000 1.066 563 A HN 0.650 nan 8.150 nan 0.000 0.492 564 L N 1.784 122.970 121.223 -0.063 0.000 2.376 564 L HA 0.717 5.022 4.340 -0.060 0.000 0.275 564 L C 0.148 176.937 176.870 -0.136 0.000 0.987 564 L CA -0.329 54.459 54.840 -0.088 0.000 0.828 564 L CB 1.630 43.604 42.059 -0.142 0.000 1.249 564 L HN 0.840 nan 8.230 nan 0.000 0.409 565 A N 1.765 124.578 122.820 -0.013 0.000 2.527 565 A HA 0.935 5.219 4.320 -0.060 0.000 0.293 565 A C -0.507 177.126 177.584 0.082 0.000 1.117 565 A CA -0.511 51.537 52.037 0.019 0.000 0.723 565 A CB 2.262 21.320 19.000 0.097 0.000 1.313 565 A HN 0.610 nan 8.150 nan 0.000 0.411 566 T N -1.122 113.486 114.554 0.089 0.000 2.900 566 T HA 0.634 4.948 4.350 -0.060 0.000 0.295 566 T C -0.590 174.124 174.700 0.024 0.000 1.044 566 T CA -0.702 61.447 62.100 0.081 0.000 0.995 566 T CB 1.483 70.437 68.868 0.144 0.000 1.072 566 T HN 0.656 nan 8.240 nan 0.000 0.473 567 R N 2.074 122.540 120.500 -0.057 0.000 2.205 567 R HA 0.171 4.476 4.340 -0.060 0.000 0.342 567 R C 0.118 176.355 176.300 -0.104 0.000 1.058 567 R CA -0.398 55.674 56.100 -0.046 0.000 0.904 567 R CB 0.327 30.591 30.300 -0.061 0.000 1.089 567 R HN 0.727 nan 8.270 nan 0.000 0.471 568 D N 1.354 121.726 120.400 -0.046 0.000 2.117 568 D HA -0.066 4.538 4.640 -0.060 0.000 0.198 568 D C -0.071 176.170 176.300 -0.099 0.000 0.982 568 D CA 1.536 55.489 54.000 -0.078 0.000 0.828 568 D CB 0.471 41.235 40.800 -0.060 0.000 0.967 568 D HN 0.435 nan 8.370 nan 0.000 0.464 569 T N 2.893 117.408 114.554 -0.064 0.000 3.053 569 T HA 0.384 4.699 4.350 -0.060 0.000 0.363 569 T C -2.510 172.167 174.700 -0.038 0.000 1.239 569 T CA -1.502 60.565 62.100 -0.055 0.000 1.071 569 T CB 1.975 70.826 68.868 -0.028 0.000 1.089 569 T HN -0.074 nan 8.240 nan 0.000 0.527 570 P HA 0.408 nan 4.420 nan 0.000 0.276 570 P C -2.370 174.954 177.300 0.040 0.000 1.252 570 P CA -1.765 61.311 63.100 -0.040 0.000 0.802 570 P CB -0.255 31.341 31.700 -0.173 0.000 1.035 571 P HA 0.099 nan 4.420 nan 0.000 0.270 571 P C -0.347 177.002 177.300 0.081 0.000 1.227 571 P CA 0.011 63.145 63.100 0.058 0.000 0.788 571 P CB 0.415 32.123 31.700 0.013 0.000 0.926 572 K N 1.275 121.696 120.400 0.036 0.000 2.382 572 K HA 0.033 4.317 4.320 -0.060 0.000 0.275 572 K C 1.679 178.277 176.600 -0.003 0.000 1.009 572 K CA -0.182 56.125 56.287 0.033 0.000 0.970 572 K CB 0.226 32.730 32.500 0.006 0.000 0.934 572 K HN 0.214 nan 8.250 nan 0.000 0.479 573 R N 2.329 122.822 120.500 -0.011 0.000 2.119 573 R HA -0.162 4.142 4.340 -0.060 0.000 0.246 573 R C 0.215 176.425 176.300 -0.150 0.000 1.146 573 R CA 1.653 57.679 56.100 -0.124 0.000 0.962 573 R CB -0.203 30.020 30.300 -0.130 0.000 0.863 573 R HN 0.781 nan 8.270 nan 0.000 0.442 574 E N 0.632 120.773 120.200 -0.099 0.000 2.201 574 E HA 0.064 4.378 4.350 -0.060 0.000 0.272 574 E C -0.220 176.327 176.600 -0.088 0.000 1.228 574 E CA 0.055 56.395 56.400 -0.100 0.000 1.305 574 E CB 0.857 30.516 29.700 -0.068 0.000 1.381 574 E HN 0.001 nan 8.360 nan 0.000 0.475 575 E N 1.123 121.247 120.200 -0.127 0.000 2.626 575 E HA 0.208 4.523 4.350 -0.060 0.000 0.198 575 E C -0.389 176.099 176.600 -0.187 0.000 0.943 575 E CA 0.302 56.636 56.400 -0.110 0.000 1.515 575 E CB 0.330 29.984 29.700 -0.077 0.000 1.677 575 E HN 0.431 nan 8.360 nan 0.000 0.897 576 M N 1.386 120.791 119.600 -0.324 0.000 2.180 576 M HA 0.339 4.783 4.480 -0.060 0.000 0.350 576 M C -0.052 176.112 176.300 -0.226 0.000 1.125 576 M CA -0.767 54.194 55.300 -0.565 0.000 1.031 576 M CB 2.289 34.337 32.600 -0.919 0.000 1.623 576 M HN -0.345 nan 8.290 nan 0.000 0.451 577 V N 5.244 125.184 119.914 0.042 0.000 2.326 577 V HA 0.057 4.141 4.120 -0.060 0.000 0.249 577 V C 1.277 177.470 176.094 0.165 0.000 1.114 577 V CA -0.004 62.346 62.300 0.083 0.000 1.028 577 V CB -0.513 31.380 31.823 0.116 0.000 1.170 577 V HN 0.888 nan 8.190 nan 0.000 0.494 578 L N 1.458 122.694 121.223 0.021 0.000 2.549 578 L HA -0.060 4.245 4.340 -0.060 0.000 0.229 578 L C 1.898 178.892 176.870 0.206 0.000 1.158 578 L CA 0.996 55.883 54.840 0.079 0.000 0.842 578 L CB -0.161 41.757 42.059 -0.235 0.000 0.952 578 L HN 0.663 nan 8.230 nan 0.000 0.452 579 D N -0.318 120.142 120.400 0.099 0.000 2.349 579 D HA -0.047 4.557 4.640 -0.060 0.000 0.214 579 D C -0.153 176.036 176.300 -0.185 0.000 1.063 579 D CA 0.258 54.289 54.000 0.052 0.000 0.847 579 D CB 0.427 41.270 40.800 0.072 0.000 0.933 579 D HN 0.191 nan 8.370 nan 0.000 0.513 580 D N 0.154 120.457 120.400 -0.162 0.000 2.518 580 D HA 0.005 4.609 4.640 -0.060 0.000 0.230 580 D C 1.324 177.218 176.300 -0.678 0.000 1.138 580 D CA -0.043 53.785 54.000 -0.286 0.000 0.964 580 D CB 1.185 41.928 40.800 -0.096 0.000 1.011 580 D HN -0.129 nan 8.370 nan 0.000 0.517 581 S N 1.143 116.196 115.700 -1.078 0.000 2.420 581 S HA -0.229 4.206 4.470 -0.060 0.000 0.237 581 S C 1.982 175.979 174.600 -1.006 0.000 1.023 581 S CA 1.940 59.133 58.200 -1.678 0.000 0.991 581 S CB -0.014 62.577 63.200 -1.015 0.000 0.792 581 S HN 0.370 nan 8.310 nan 0.000 0.488 582 S N 0.694 116.067 115.700 -0.545 0.000 2.419 582 S HA 0.038 4.472 4.470 -0.060 0.000 0.233 582 S C 1.818 176.243 174.600 -0.290 0.000 1.016 582 S CA 0.604 58.613 58.200 -0.319 0.000 0.974 582 S CB -0.467 62.610 63.200 -0.205 0.000 0.786 582 S HN 0.653 nan 8.310 nan 0.000 0.492 583 R N -0.834 119.461 120.500 -0.342 0.000 2.334 583 R HA 0.329 4.633 4.340 -0.060 0.000 0.216 583 R C 0.729 176.637 176.300 -0.653 0.000 0.905 583 R CA -0.142 55.719 56.100 -0.399 0.000 1.064 583 R CB -0.099 30.040 30.300 -0.268 0.000 1.046 583 R HN 0.347 nan 8.270 nan 0.000 0.508 584 F N 0.502 120.159 119.950 -0.488 0.000 2.269 584 F HA -0.114 4.377 4.527 -0.060 0.000 0.301 584 F C 2.077 177.712 175.800 -0.275 0.000 1.082 584 F CA 0.924 58.723 58.000 -0.335 0.000 1.360 584 F CB -0.330 38.612 39.000 -0.097 0.000 1.041 584 F HN 0.051 nan 8.300 nan 0.000 0.512 585 M N -0.358 119.204 119.600 -0.063 0.000 2.349 585 M HA -0.126 4.318 4.480 -0.060 0.000 0.266 585 M C 2.243 178.503 176.300 -0.066 0.000 1.076 585 M CA 1.196 56.469 55.300 -0.046 0.000 1.126 585 M CB -0.179 32.387 32.600 -0.056 0.000 1.392 585 M HN 0.126 nan 8.290 nan 0.000 0.440 586 E N -0.011 120.091 120.200 -0.163 0.000 2.152 586 E HA -0.189 4.125 4.350 -0.060 0.000 0.192 586 E C 1.411 178.053 176.600 0.069 0.000 0.983 586 E CA 1.187 57.543 56.400 -0.074 0.000 0.818 586 E CB -0.213 29.430 29.700 -0.094 0.000 0.758 586 E HN 0.687 nan 8.360 nan 0.000 0.467 587 Y N 0.610 120.969 120.300 0.098 0.000 2.439 587 Y HA 0.016 4.531 4.550 -0.060 0.000 0.292 587 Y C 1.146 177.086 175.900 0.066 0.000 1.130 587 Y CA 0.258 58.414 58.100 0.093 0.000 1.254 587 Y CB 0.177 38.711 38.460 0.124 0.000 1.000 587 Y HN -0.022 nan 8.280 nan 0.000 0.554 588 E N 1.210 121.504 120.200 0.157 0.000 2.354 588 E HA 0.128 4.442 4.350 -0.060 0.000 0.260 588 E C -0.403 176.239 176.600 0.070 0.000 1.405 588 E CA -0.109 56.349 56.400 0.097 0.000 1.728 588 E CB 0.157 29.898 29.700 0.069 0.000 1.471 588 E HN 0.181 nan 8.360 nan 0.000 0.441 589 T N -0.215 114.388 114.554 0.082 0.000 2.930 589 T HA 0.149 4.463 4.350 -0.060 0.000 0.290 589 T C -0.081 174.658 174.700 0.066 0.000 1.052 589 T CA -0.763 61.373 62.100 0.060 0.000 1.017 589 T CB 1.265 70.166 68.868 0.056 0.000 1.137 589 T HN 0.185 nan 8.240 nan 0.000 0.511 590 D N 0.530 120.955 120.400 0.043 0.000 2.716 590 D HA -0.140 4.465 4.640 -0.060 0.000 0.239 590 D C -0.526 175.842 176.300 0.114 0.000 1.125 590 D CA 0.368 54.402 54.000 0.056 0.000 0.681 590 D CB -1.466 39.393 40.800 0.098 0.000 1.070 590 D HN 0.415 nan 8.370 nan 0.000 0.432 591 L N -0.510 120.764 121.223 0.085 0.000 2.454 591 L HA 0.527 4.832 4.340 -0.060 0.000 0.256 591 L C 1.047 178.022 176.870 0.175 0.000 1.136 591 L CA -0.502 54.407 54.840 0.115 0.000 0.804 591 L CB 1.229 43.344 42.059 0.093 0.000 1.181 591 L HN -0.001 nan 8.230 nan 0.000 0.469 592 T N 1.093 115.758 114.554 0.185 0.000 2.791 592 T HA 0.281 4.595 4.350 -0.060 0.000 0.288 592 T C -0.478 174.330 174.700 0.181 0.000 0.999 592 T CA -0.321 61.912 62.100 0.222 0.000 0.952 592 T CB 0.568 69.554 68.868 0.196 0.000 0.938 592 T HN 0.249 nan 8.240 nan 0.000 0.444 593 F N 4.380 124.371 119.950 0.067 0.000 2.578 593 F HA 0.223 4.714 4.527 -0.060 0.000 0.381 593 F C 0.845 176.667 175.800 0.037 0.000 1.069 593 F CA 0.134 58.156 58.000 0.037 0.000 1.231 593 F CB 0.514 39.529 39.000 0.024 0.000 1.086 593 F HN 0.340 nan 8.300 nan 0.000 0.564 594 V N 4.884 124.359 119.914 -0.733 0.000 2.788 594 V HA 0.462 4.547 4.120 -0.060 0.000 0.241 594 V C 1.070 176.624 176.094 -0.900 0.000 1.083 594 V CA 0.948 62.908 62.300 -0.568 0.000 1.103 594 V CB -0.085 31.546 31.823 -0.320 0.000 0.800 594 V HN 1.115 nan 8.190 nan 0.000 0.476 595 G N -1.047 106.902 108.800 -1.419 0.000 2.324 595 G HA2 0.420 4.345 3.960 -0.060 0.000 0.293 595 G HA3 0.420 4.345 3.960 -0.060 0.000 0.293 595 G C -2.125 172.376 174.900 -0.664 0.000 1.297 595 G CA -0.163 44.343 45.100 -0.990 0.000 0.853 595 G HN 0.004 nan 8.290 nan 0.000 0.535 596 V N 0.187 119.731 119.914 -0.618 0.000 2.638 596 V HA 0.737 4.821 4.120 -0.060 0.000 0.306 596 V C 0.169 176.158 176.094 -0.175 0.000 1.052 596 V CA -0.516 61.550 62.300 -0.390 0.000 0.885 596 V CB 1.537 32.987 31.823 -0.621 0.000 0.999 596 V HN 1.543 nan 8.190 nan 0.000 0.424 597 V N 1.529 121.439 119.914 -0.006 0.000 2.581 597 V HA 1.047 5.132 4.120 -0.060 0.000 0.303 597 V C 0.221 176.431 176.094 0.194 0.000 1.041 597 V CA -0.355 62.008 62.300 0.105 0.000 0.907 597 V CB 1.669 33.510 31.823 0.030 0.000 0.994 597 V HN 0.979 nan 8.190 nan 0.000 0.442 598 G N 5.534 114.480 108.800 0.244 0.000 2.470 598 G HA2 0.672 4.596 3.960 -0.060 0.000 0.320 598 G HA3 0.672 4.596 3.960 -0.060 0.000 0.320 598 G C -0.604 174.308 174.900 0.021 0.000 1.245 598 G CA -0.915 44.294 45.100 0.182 0.000 0.935 598 G HN 1.161 nan 8.290 nan 0.000 0.476 599 M N 1.605 121.218 119.600 0.020 0.000 2.777 599 M HA 0.879 5.324 4.480 -0.060 0.000 0.307 599 M C -1.544 174.736 176.300 -0.034 0.000 1.228 599 M CA -1.078 54.205 55.300 -0.027 0.000 0.871 599 M CB 2.249 34.835 32.600 -0.023 0.000 1.721 599 M HN 0.391 nan 8.290 nan 0.000 0.487 600 L N 0.864 122.051 121.223 -0.059 0.000 2.341 600 L HA 0.642 4.946 4.340 -0.060 0.000 0.267 600 L C -1.668 175.168 176.870 -0.057 0.000 1.009 600 L CA 0.028 54.834 54.840 -0.056 0.000 0.819 600 L CB 2.146 44.160 42.059 -0.074 0.000 1.323 600 L HN 0.873 nan 8.230 nan 0.000 0.425 601 D N 4.382 124.756 120.400 -0.043 0.000 2.378 601 D HA 0.375 4.979 4.640 -0.060 0.000 0.265 601 D C -2.674 173.604 176.300 -0.037 0.000 1.229 601 D CA -1.870 52.108 54.000 -0.037 0.000 0.914 601 D CB 1.174 41.963 40.800 -0.018 0.000 1.140 601 D HN 0.209 nan 8.370 nan 0.000 0.516 602 P HA 0.133 nan 4.420 nan 0.000 0.264 602 P C -2.590 174.690 177.300 -0.034 0.000 1.183 602 P CA -1.005 62.070 63.100 -0.041 0.000 0.763 602 P CB -0.066 31.608 31.700 -0.044 0.000 0.807 603 P HA 0.224 nan 4.420 nan 0.000 0.276 603 P C -0.002 177.283 177.300 -0.026 0.000 1.235 603 P CA -0.241 62.835 63.100 -0.041 0.000 0.772 603 P CB 0.337 32.004 31.700 -0.054 0.000 0.871 604 R N 2.824 123.316 120.500 -0.013 0.000 2.489 604 R HA -0.174 4.131 4.340 -0.060 0.000 0.287 604 R C 1.801 178.103 176.300 0.004 0.000 0.902 604 R CA 0.823 56.927 56.100 0.006 0.000 1.136 604 R CB -0.087 30.233 30.300 0.032 0.000 0.872 604 R HN 0.532 nan 8.270 nan 0.000 0.421 605 K N 2.755 123.157 120.400 0.004 0.000 2.089 605 K HA -0.296 3.988 4.320 -0.060 0.000 0.210 605 K C 0.976 177.583 176.600 0.013 0.000 1.048 605 K CA 2.091 58.380 56.287 0.003 0.000 0.926 605 K CB -0.153 32.349 32.500 0.003 0.000 0.714 605 K HN 0.512 nan 8.250 nan 0.000 0.448 606 E N 1.397 121.612 120.200 0.025 0.000 2.038 606 E HA -0.204 4.110 4.350 -0.060 0.000 0.195 606 E C 2.243 178.880 176.600 0.061 0.000 1.000 606 E CA 1.885 58.309 56.400 0.040 0.000 0.803 606 E CB -0.660 29.069 29.700 0.048 0.000 0.750 606 E HN 0.389 nan 8.360 nan 0.000 0.448 607 V N -0.981 118.979 119.914 0.076 0.000 2.324 607 V HA -0.354 3.731 4.120 -0.060 0.000 0.250 607 V C 2.199 178.322 176.094 0.048 0.000 1.060 607 V CA 1.932 64.296 62.300 0.106 0.000 1.042 607 V CB -0.647 31.178 31.823 0.003 0.000 0.650 607 V HN 0.208 nan 8.190 nan 0.000 0.450 608 M N 1.391 120.992 119.600 0.003 0.000 2.308 608 M HA -0.236 4.208 4.480 -0.060 0.000 0.257 608 M C 2.257 178.564 176.300 0.011 0.000 1.070 608 M CA 2.894 58.188 55.300 -0.010 0.000 1.080 608 M CB -1.686 30.907 32.600 -0.013 0.000 1.274 608 M HN 0.595 nan 8.290 nan 0.000 0.434 609 G N -1.176 107.638 108.800 0.023 0.000 2.433 609 G HA2 -0.199 3.725 3.960 -0.060 0.000 0.216 609 G HA3 -0.199 3.725 3.960 -0.060 0.000 0.216 609 G C 1.510 176.438 174.900 0.046 0.000 1.186 609 G CA 1.285 46.401 45.100 0.026 0.000 0.779 609 G HN 0.552 nan 8.290 nan 0.000 0.543 610 S N 0.728 116.474 115.700 0.077 0.000 2.389 610 S HA -0.192 4.242 4.470 -0.060 0.000 0.231 610 S C 2.253 176.947 174.600 0.157 0.000 1.052 610 S CA 1.301 59.570 58.200 0.115 0.000 1.053 610 S CB -0.239 63.073 63.200 0.186 0.000 0.886 610 S HN 0.273 nan 8.310 nan 0.000 0.456 611 I N 1.554 122.217 120.570 0.156 0.000 2.127 611 I HA -0.153 3.981 4.170 -0.060 0.000 0.241 611 I C 2.735 178.880 176.117 0.048 0.000 1.075 611 I CA 1.379 62.740 61.300 0.102 0.000 1.334 611 I CB -1.470 36.520 38.000 -0.017 0.000 1.040 611 I HN 0.319 nan 8.210 nan 0.000 0.405 612 Q N 0.611 120.426 119.800 0.025 0.000 2.077 612 Q HA -0.210 4.094 4.340 -0.060 0.000 0.206 612 Q C 2.456 178.466 176.000 0.016 0.000 0.989 612 Q CA 1.589 57.399 55.803 0.012 0.000 0.853 612 Q CB -0.590 28.152 28.738 0.007 0.000 0.907 612 Q HN 0.471 nan 8.270 nan 0.000 0.418 613 L N -0.467 120.769 121.223 0.023 0.000 2.129 613 L HA -0.279 4.025 4.340 -0.060 0.000 0.212 613 L C 2.546 179.423 176.870 0.011 0.000 1.087 613 L CA 1.240 56.088 54.840 0.013 0.000 0.757 613 L CB -0.272 41.792 42.059 0.008 0.000 0.896 613 L HN 0.266 nan 8.230 nan 0.000 0.434 614 C N -1.390 117.926 119.300 0.026 0.000 2.468 614 C HA -0.029 4.395 4.460 -0.060 0.000 0.277 614 C C 2.742 177.739 174.990 0.012 0.000 1.400 614 C CA 0.020 59.052 59.018 0.023 0.000 1.770 614 C CB -0.942 26.832 27.740 0.057 0.000 1.905 614 C HN 0.438 nan 8.230 nan 0.000 0.519 615 R N 1.303 121.809 120.500 0.009 0.000 2.066 615 R HA -0.100 4.204 4.340 -0.060 0.000 0.232 615 R C 1.604 177.905 176.300 0.001 0.000 1.131 615 R CA 1.660 57.761 56.100 0.001 0.000 0.955 615 R CB -0.303 29.996 30.300 -0.002 0.000 0.851 615 R HN 0.494 nan 8.270 nan 0.000 0.432 616 D N 0.500 120.901 120.400 0.001 0.000 2.183 616 D HA -0.068 4.536 4.640 -0.060 0.000 0.203 616 D C 1.521 177.820 176.300 -0.001 0.000 0.969 616 D CA 1.200 55.200 54.000 0.000 0.000 0.842 616 D CB -0.172 40.629 40.800 0.001 0.000 0.957 616 D HN 0.237 nan 8.370 nan 0.000 0.484 617 A N 0.094 122.913 122.820 -0.003 0.000 2.239 617 A HA 0.314 4.598 4.320 -0.060 0.000 0.209 617 A C 1.900 179.480 177.584 -0.007 0.000 1.171 617 A CA 1.188 53.221 52.037 -0.007 0.000 0.768 617 A CB -0.572 18.421 19.000 -0.012 0.000 0.790 617 A HN 0.264 nan 8.150 nan 0.000 0.478 618 G N -0.938 107.860 108.800 -0.004 0.000 2.166 618 G HA2 -0.253 3.672 3.960 -0.060 0.000 0.260 618 G HA3 -0.253 3.672 3.960 -0.060 0.000 0.260 618 G C 0.286 175.183 174.900 -0.004 0.000 0.986 618 G CA 0.409 45.507 45.100 -0.004 0.000 0.683 618 G HN 1.011 nan 8.290 nan 0.000 0.527 619 I N 0.337 120.905 120.570 -0.002 0.000 2.385 619 I HA 0.621 4.755 4.170 -0.060 0.000 0.294 619 I C 0.308 176.432 176.117 0.011 0.000 0.988 619 I CA -1.042 60.259 61.300 0.001 0.000 1.265 619 I CB 1.170 39.167 38.000 -0.004 0.000 1.388 619 I HN 0.150 nan 8.210 nan 0.000 0.480 620 R N 5.572 126.080 120.500 0.013 0.000 2.390 620 R HA 0.513 4.817 4.340 -0.060 0.000 0.291 620 R C -1.270 175.046 176.300 0.028 0.000 1.070 620 R CA -0.495 55.611 56.100 0.011 0.000 1.014 620 R CB 1.262 31.568 30.300 0.009 0.000 1.007 620 R HN 0.599 nan 8.270 nan 0.000 0.466 621 V N 6.486 126.405 119.914 0.008 0.000 2.398 621 V HA 0.393 4.477 4.120 -0.060 0.000 0.286 621 V C 0.099 176.170 176.094 -0.038 0.000 1.026 621 V CA -0.569 61.743 62.300 0.021 0.000 0.868 621 V CB 1.684 33.520 31.823 0.022 0.000 0.982 621 V HN 0.645 nan 8.190 nan 0.000 0.443 622 I N 5.355 125.928 120.570 0.005 0.000 2.404 622 I HA 0.478 4.612 4.170 -0.060 0.000 0.293 622 I C -0.152 175.962 176.117 -0.005 0.000 0.992 622 I CA -0.333 60.966 61.300 -0.002 0.000 1.149 622 I CB 1.731 39.794 38.000 0.106 0.000 1.315 622 I HN 0.498 nan 8.210 nan 0.000 0.446 623 M N 7.700 127.268 119.600 -0.054 0.000 2.072 623 M HA 0.521 4.965 4.480 -0.060 0.000 0.331 623 M C -1.175 175.143 176.300 0.029 0.000 1.004 623 M CA -0.455 54.811 55.300 -0.056 0.000 0.952 623 M CB 0.813 33.331 32.600 -0.137 0.000 1.511 623 M HN 0.487 nan 8.290 nan 0.000 0.422 624 I N 3.238 123.849 120.570 0.068 0.000 2.532 624 I HA 0.470 4.604 4.170 -0.060 0.000 0.292 624 I C 0.361 176.509 176.117 0.053 0.000 1.014 624 I CA -0.193 61.170 61.300 0.106 0.000 1.340 624 I CB 1.824 39.873 38.000 0.082 0.000 1.422 624 I HN 0.710 nan 8.210 nan 0.000 0.528 625 T N 2.025 116.616 114.554 0.061 0.000 2.653 625 T HA 0.506 4.820 4.350 -0.060 0.000 0.306 625 T C 0.118 174.842 174.700 0.041 0.000 1.426 625 T CA 0.145 62.267 62.100 0.036 0.000 1.008 625 T CB 1.417 70.299 68.868 0.022 0.000 1.692 625 T HN 0.763 nan 8.240 nan 0.000 0.483 626 G N 0.180 108.998 108.800 0.031 0.000 3.215 626 G HA2 0.292 4.216 3.960 -0.060 0.000 0.236 626 G HA3 0.292 4.216 3.960 -0.060 0.000 0.236 626 G C -0.390 174.532 174.900 0.038 0.000 1.029 626 G CA -0.201 44.920 45.100 0.035 0.000 0.909 626 G HN 0.659 nan 8.290 nan 0.000 0.543 627 D N 1.194 121.613 120.400 0.033 0.000 2.390 627 D HA 0.199 4.803 4.640 -0.060 0.000 0.236 627 D C 0.854 177.181 176.300 0.045 0.000 1.189 627 D CA 0.052 54.074 54.000 0.037 0.000 0.887 627 D CB 0.549 41.367 40.800 0.029 0.000 1.198 627 D HN 0.588 nan 8.370 nan 0.000 0.444 628 N N -0.099 118.630 118.700 0.049 0.000 2.453 628 N HA -0.046 4.658 4.740 -0.060 0.000 0.253 628 N C 0.760 176.293 175.510 0.038 0.000 1.252 628 N CA -0.758 52.321 53.050 0.048 0.000 0.917 628 N CB 1.143 39.660 38.487 0.050 0.000 1.117 628 N HN 0.356 nan 8.380 nan 0.000 0.442 629 K N 1.582 122.003 120.400 0.034 0.000 2.074 629 K HA -0.204 4.080 4.320 -0.060 0.000 0.209 629 K C 1.850 178.454 176.600 0.007 0.000 1.048 629 K CA 1.860 58.159 56.287 0.019 0.000 0.926 629 K CB -0.774 31.731 32.500 0.009 0.000 0.713 629 K HN 0.812 nan 8.250 nan 0.000 0.444 630 G N 0.114 108.920 108.800 0.009 0.000 2.552 630 G HA2 -0.271 3.653 3.960 -0.060 0.000 0.216 630 G HA3 -0.271 3.653 3.960 -0.060 0.000 0.216 630 G C 1.404 176.315 174.900 0.018 0.000 1.240 630 G CA 1.561 46.665 45.100 0.006 0.000 0.796 630 G HN 0.369 nan 8.290 nan 0.000 0.568 631 T N 1.661 116.234 114.554 0.031 0.000 2.849 631 T HA 0.055 4.370 4.350 -0.060 0.000 0.270 631 T C 2.688 177.406 174.700 0.030 0.000 1.066 631 T CA 1.393 63.514 62.100 0.035 0.000 1.130 631 T CB -0.306 68.588 68.868 0.043 0.000 0.864 631 T HN 0.426 nan 8.240 nan 0.000 0.481 632 A N 1.674 124.511 122.820 0.029 0.000 1.845 632 A HA -0.038 4.247 4.320 -0.060 0.000 0.215 632 A C 2.255 179.866 177.584 0.044 0.000 1.195 632 A CA 1.256 53.310 52.037 0.028 0.000 0.616 632 A CB -0.854 18.164 19.000 0.029 0.000 0.832 632 A HN 0.492 nan 8.150 nan 0.000 0.443 633 I N -0.124 120.481 120.570 0.059 0.000 2.185 633 I HA -0.365 3.769 4.170 -0.060 0.000 0.246 633 I C 2.932 179.115 176.117 0.110 0.000 1.088 633 I CA 1.325 62.695 61.300 0.117 0.000 1.347 633 I CB -0.388 37.624 38.000 0.020 0.000 1.041 633 I HN 0.402 nan 8.210 nan 0.000 0.415 634 A N 0.936 123.788 122.820 0.054 0.000 1.969 634 A HA -0.138 4.146 4.320 -0.060 0.000 0.218 634 A C 2.195 179.799 177.584 0.033 0.000 1.169 634 A CA 1.183 53.246 52.037 0.043 0.000 0.635 634 A CB -0.505 18.514 19.000 0.031 0.000 0.810 634 A HN 0.375 nan 8.150 nan 0.000 0.445 635 I N -0.379 120.202 120.570 0.019 0.000 2.315 635 I HA -0.227 3.908 4.170 -0.060 0.000 0.248 635 I C 2.499 178.596 176.117 -0.033 0.000 1.117 635 I CA 0.893 62.186 61.300 -0.012 0.000 1.404 635 I CB -1.874 36.111 38.000 -0.024 0.000 1.071 635 I HN 0.327 nan 8.210 nan 0.000 0.419 636 C N 1.100 120.389 119.300 -0.017 0.000 2.413 636 C HA -0.162 4.262 4.460 -0.060 0.000 0.276 636 C C 3.066 178.021 174.990 -0.058 0.000 1.248 636 C CA 0.843 59.806 59.018 -0.092 0.000 1.742 636 C CB -1.079 26.605 27.740 -0.093 0.000 2.017 636 C HN 0.455 nan 8.230 nan 0.000 0.481 637 R N 0.139 120.684 120.500 0.077 0.000 2.073 637 R HA -0.137 4.167 4.340 -0.060 0.000 0.234 637 R C 2.539 178.841 176.300 0.004 0.000 1.134 637 R CA 1.330 57.473 56.100 0.072 0.000 0.952 637 R CB -0.468 29.885 30.300 0.087 0.000 0.850 637 R HN 0.527 nan 8.270 nan 0.000 0.433 638 R N 1.570 122.065 120.500 -0.007 0.000 2.127 638 R HA -0.142 4.163 4.340 -0.060 0.000 0.238 638 R C 2.049 178.323 176.300 -0.044 0.000 1.134 638 R CA 1.722 57.808 56.100 -0.023 0.000 0.975 638 R CB -0.224 30.061 30.300 -0.024 0.000 0.865 638 R HN 0.376 nan 8.270 nan 0.000 0.447 639 I N -3.593 116.935 120.570 -0.072 0.000 3.793 639 I HA 0.357 4.491 4.170 -0.060 0.000 0.315 639 I C 0.805 176.861 176.117 -0.101 0.000 1.275 639 I CA 0.559 61.801 61.300 -0.096 0.000 1.214 639 I CB 0.621 38.533 38.000 -0.147 0.000 1.018 639 I HN 0.204 nan 8.210 nan 0.000 0.439 640 G N 1.815 110.562 108.800 -0.087 0.000 2.147 640 G HA2 -0.232 3.693 3.960 -0.060 0.000 0.244 640 G HA3 -0.232 3.693 3.960 -0.060 0.000 0.244 640 G C 0.648 175.464 174.900 -0.140 0.000 1.005 640 G CA 0.369 45.422 45.100 -0.077 0.000 0.713 640 G HN 0.354 nan 8.290 nan 0.000 0.515 641 I N -0.831 119.585 120.570 -0.257 0.000 2.226 641 I HA 0.094 4.229 4.170 -0.060 0.000 0.245 641 I C 1.252 177.036 176.117 -0.555 0.000 1.100 641 I CA 1.266 62.290 61.300 -0.459 0.000 1.374 641 I CB -0.805 36.787 38.000 -0.681 0.000 1.057 641 I HN 0.194 nan 8.210 nan 0.000 0.413 642 F N -0.169 119.748 119.950 -0.055 0.000 2.556 642 F HA 0.622 5.114 4.527 -0.060 0.000 0.327 642 F C 1.109 176.884 175.800 -0.041 0.000 1.059 642 F CA -1.376 56.594 58.000 -0.050 0.000 0.953 642 F CB 0.385 39.351 39.000 -0.057 0.000 1.227 642 F HN -0.161 nan 8.300 nan 0.000 0.478 643 G N 0.081 108.987 108.800 0.176 0.000 2.614 643 G HA2 0.058 3.982 3.960 -0.060 0.000 0.239 643 G HA3 0.058 3.982 3.960 -0.060 0.000 0.239 643 G C 0.678 175.623 174.900 0.074 0.000 1.240 643 G CA -0.290 44.861 45.100 0.084 0.000 0.842 643 G HN 0.793 nan 8.290 nan 0.000 0.584 644 E N 0.162 120.385 120.200 0.038 0.000 2.401 644 E HA -0.102 4.213 4.350 -0.060 0.000 0.199 644 E C 0.753 177.359 176.600 0.010 0.000 1.023 644 E CA 0.698 57.113 56.400 0.025 0.000 0.859 644 E CB 0.168 29.875 29.700 0.012 0.000 0.780 644 E HN 0.480 nan 8.360 nan 0.000 0.523 645 N N 0.394 119.096 118.700 0.003 0.000 2.143 645 N HA 0.016 4.721 4.740 -0.060 0.000 0.222 645 N C -0.527 174.961 175.510 -0.037 0.000 1.264 645 N CA 0.072 53.112 53.050 -0.017 0.000 0.897 645 N CB 0.819 39.297 38.487 -0.015 0.000 1.092 645 N HN 0.281 nan 8.380 nan 0.000 0.516 646 E N 0.202 120.380 120.200 -0.037 0.000 2.312 646 E HA 0.280 4.594 4.350 -0.060 0.000 0.259 646 E C -0.222 176.298 176.600 -0.133 0.000 1.122 646 E CA -0.614 55.751 56.400 -0.059 0.000 0.922 646 E CB 0.998 30.686 29.700 -0.021 0.000 1.109 646 E HN -0.184 nan 8.360 nan 0.000 0.442 647 E N 0.120 120.242 120.200 -0.130 0.000 2.404 647 E HA 0.094 4.408 4.350 -0.060 0.000 0.261 647 E C 0.236 176.661 176.600 -0.293 0.000 1.074 647 E CA 0.266 56.561 56.400 -0.175 0.000 0.917 647 E CB 1.526 31.155 29.700 -0.118 0.000 0.965 647 E HN 0.549 nan 8.360 nan 0.000 0.433 648 V N -1.896 117.811 119.914 -0.346 0.000 4.095 648 V HA 0.215 4.299 4.120 -0.060 0.000 0.341 648 V C 1.224 177.091 176.094 -0.377 0.000 1.692 648 V CA 0.270 62.251 62.300 -0.532 0.000 1.448 648 V CB -0.368 30.902 31.823 -0.921 0.000 1.023 648 V HN 0.528 nan 8.190 nan 0.000 0.431 649 A N 2.616 125.279 122.820 -0.262 0.000 1.869 649 A HA -0.235 4.050 4.320 -0.060 0.000 0.218 649 A C 1.520 178.942 177.584 -0.271 0.000 1.203 649 A CA 2.662 54.566 52.037 -0.221 0.000 0.638 649 A CB -0.712 18.200 19.000 -0.146 0.000 0.831 649 A HN 0.876 nan 8.150 nan 0.000 0.450 650 D N -2.135 118.138 120.400 -0.212 0.000 2.722 650 D HA 0.189 4.794 4.640 -0.060 0.000 0.239 650 D C 0.902 177.098 176.300 -0.173 0.000 1.249 650 D CA -0.205 53.681 54.000 -0.190 0.000 0.830 650 D CB 0.060 40.856 40.800 -0.007 0.000 1.025 650 D HN 0.432 nan 8.370 nan 0.000 0.486 651 R N -0.330 119.986 120.500 -0.308 0.000 2.507 651 R HA 0.394 4.698 4.340 -0.060 0.000 0.230 651 R C 0.167 176.363 176.300 -0.174 0.000 0.897 651 R CA -0.021 56.005 56.100 -0.124 0.000 1.006 651 R CB 0.927 31.180 30.300 -0.078 0.000 1.341 651 R HN 0.178 nan 8.270 nan 0.000 0.604 652 A N 1.018 123.604 122.820 -0.390 0.000 2.342 652 A HA 0.754 5.038 4.320 -0.060 0.000 0.323 652 A C -1.399 175.851 177.584 -0.556 0.000 1.125 652 A CA -0.395 51.441 52.037 -0.335 0.000 0.785 652 A CB 0.906 19.805 19.000 -0.168 0.000 1.221 652 A HN 0.100 nan 8.150 nan 0.000 0.463 653 Y N -0.102 120.123 120.300 -0.125 0.000 2.602 653 Y HA 0.647 5.161 4.550 -0.060 0.000 0.342 653 Y C 0.949 176.928 175.900 0.132 0.000 1.029 653 Y CA -0.314 57.832 58.100 0.077 0.000 1.080 653 Y CB 2.439 41.070 38.460 0.284 0.000 1.284 653 Y HN 0.778 nan 8.280 nan 0.000 0.485 654 T N -2.703 112.035 114.554 0.307 0.000 2.949 654 T HA 0.452 4.766 4.350 -0.060 0.000 0.287 654 T C 1.203 176.014 174.700 0.184 0.000 1.034 654 T CA -0.295 61.928 62.100 0.205 0.000 1.018 654 T CB 1.397 70.344 68.868 0.133 0.000 1.135 654 T HN 0.811 nan 8.240 nan 0.000 0.532 655 G N 0.798 109.636 108.800 0.064 0.000 2.553 655 G HA2 -0.315 3.610 3.960 -0.060 0.000 0.218 655 G HA3 -0.315 3.610 3.960 -0.060 0.000 0.218 655 G C 1.585 176.555 174.900 0.117 0.000 1.195 655 G CA 1.119 46.196 45.100 -0.039 0.000 0.779 655 G HN 0.703 nan 8.290 nan 0.000 0.577 656 R N 0.891 121.475 120.500 0.140 0.000 2.092 656 R HA 0.053 4.358 4.340 -0.060 0.000 0.231 656 R C 2.480 178.876 176.300 0.160 0.000 1.119 656 R CA 1.701 57.889 56.100 0.147 0.000 0.970 656 R CB -0.660 29.706 30.300 0.110 0.000 0.864 656 R HN 0.580 nan 8.270 nan 0.000 0.440 657 E N -1.014 119.298 120.200 0.187 0.000 2.058 657 E HA -0.215 4.100 4.350 -0.060 0.000 0.194 657 E C 1.657 178.395 176.600 0.230 0.000 0.997 657 E CA 1.498 58.029 56.400 0.217 0.000 0.801 657 E CB -0.307 29.572 29.700 0.298 0.000 0.746 657 E HN 0.286 nan 8.360 nan 0.000 0.450 658 F N 1.946 121.966 119.950 0.118 0.000 2.171 658 F HA -0.183 4.309 4.527 -0.060 0.000 0.300 658 F C 1.678 177.515 175.800 0.063 0.000 1.090 658 F CA 1.416 59.439 58.000 0.038 0.000 1.293 658 F CB 0.077 39.060 39.000 -0.029 0.000 1.013 658 F HN -0.094 nan 8.300 nan 0.000 0.486 659 D N -0.151 120.351 120.400 0.171 0.000 2.269 659 D HA -0.134 4.470 4.640 -0.060 0.000 0.208 659 D C 1.572 177.878 176.300 0.011 0.000 0.963 659 D CA 0.998 55.068 54.000 0.117 0.000 0.864 659 D CB -0.354 40.568 40.800 0.203 0.000 0.936 659 D HN 0.378 nan 8.370 nan 0.000 0.505 660 D N -0.136 120.271 120.400 0.013 0.000 2.349 660 D HA 0.024 4.628 4.640 -0.060 0.000 0.224 660 D C 0.288 176.562 176.300 -0.044 0.000 1.029 660 D CA 0.155 54.156 54.000 0.001 0.000 0.879 660 D CB 0.684 41.504 40.800 0.033 0.000 0.906 660 D HN 0.232 nan 8.370 nan 0.000 0.528 661 L N 2.000 123.148 121.223 -0.124 0.000 2.322 661 L HA 0.383 4.687 4.340 -0.060 0.000 0.279 661 L C -2.179 174.595 176.870 -0.161 0.000 1.036 661 L CA -1.995 52.751 54.840 -0.156 0.000 0.807 661 L CB 1.136 43.047 42.059 -0.247 0.000 1.226 661 L HN -0.288 nan 8.230 nan 0.000 0.433 662 P HA 0.126 nan 4.420 nan 0.000 0.272 662 P C 0.637 177.872 177.300 -0.109 0.000 1.223 662 P CA -0.475 62.575 63.100 -0.083 0.000 0.784 662 P CB 0.966 32.633 31.700 -0.054 0.000 0.923 663 L N 2.010 123.197 121.223 -0.060 0.000 2.021 663 L HA -0.277 4.027 4.340 -0.060 0.000 0.215 663 L C 2.764 179.569 176.870 -0.109 0.000 1.074 663 L CA 2.898 57.720 54.840 -0.030 0.000 0.760 663 L CB -2.010 40.089 42.059 0.067 0.000 0.889 663 L HN 0.398 nan 8.230 nan 0.000 0.433 664 A N 0.336 123.111 122.820 -0.076 0.000 1.927 664 A HA -0.281 4.003 4.320 -0.060 0.000 0.220 664 A C 2.213 179.721 177.584 -0.127 0.000 1.185 664 A CA 2.328 54.316 52.037 -0.081 0.000 0.639 664 A CB -0.644 18.329 19.000 -0.044 0.000 0.820 664 A HN 0.697 nan 8.150 nan 0.000 0.451 665 E N -0.942 119.170 120.200 -0.147 0.000 2.400 665 E HA -0.011 4.303 4.350 -0.060 0.000 0.195 665 E C 1.933 178.373 176.600 -0.266 0.000 1.012 665 E CA 0.359 56.668 56.400 -0.152 0.000 0.875 665 E CB -0.176 29.462 29.700 -0.103 0.000 0.859 665 E HN 0.736 nan 8.360 nan 0.000 0.498 666 Q N 1.265 120.824 119.800 -0.401 0.000 2.016 666 Q HA -0.141 4.163 4.340 -0.060 0.000 0.200 666 Q C 2.320 177.943 176.000 -0.628 0.000 0.978 666 Q CA 1.399 56.838 55.803 -0.607 0.000 0.833 666 Q CB -0.147 28.195 28.738 -0.661 0.000 0.895 666 Q HN 0.178 nan 8.270 nan 0.000 0.427 667 R N 1.047 120.998 120.500 -0.915 0.000 2.096 667 R HA -0.239 4.065 4.340 -0.060 0.000 0.240 667 R C 1.891 178.096 176.300 -0.159 0.000 1.139 667 R CA 1.945 57.532 56.100 -0.855 0.000 0.952 667 R CB -0.074 29.972 30.300 -0.423 0.000 0.854 667 R HN 0.220 nan 8.270 nan 0.000 0.436 668 E N -0.211 119.936 120.200 -0.089 0.000 2.070 668 E HA -0.197 4.117 4.350 -0.060 0.000 0.197 668 E C 1.818 178.419 176.600 0.002 0.000 1.004 668 E CA 1.740 58.150 56.400 0.017 0.000 0.805 668 E CB -0.182 29.516 29.700 -0.003 0.000 0.744 668 E HN 0.536 nan 8.360 nan 0.000 0.451 669 A N -0.256 122.542 122.820 -0.037 0.000 2.125 669 A HA -0.186 4.098 4.320 -0.060 0.000 0.219 669 A C 2.157 179.817 177.584 0.126 0.000 1.156 669 A CA 1.118 53.161 52.037 0.009 0.000 0.671 669 A CB -0.574 18.248 19.000 -0.296 0.000 0.794 669 A HN 0.420 nan 8.150 nan 0.000 0.459 670 C N -0.616 118.764 119.300 0.134 0.000 2.495 670 C HA 0.028 4.452 4.460 -0.060 0.000 0.275 670 C C 2.638 177.685 174.990 0.095 0.000 1.392 670 C CA 0.762 59.906 59.018 0.211 0.000 1.766 670 C CB -1.009 26.905 27.740 0.290 0.000 1.933 670 C HN 0.788 nan 8.230 nan 0.000 0.519 671 R N 1.544 122.004 120.500 -0.068 0.000 2.276 671 R HA 0.047 4.351 4.340 -0.060 0.000 0.196 671 R C 1.835 178.083 176.300 -0.086 0.000 0.961 671 R CA 0.605 56.581 56.100 -0.206 0.000 1.024 671 R CB -0.388 29.550 30.300 -0.604 0.000 0.940 671 R HN 0.613 nan 8.270 nan 0.000 0.480 672 R N 0.411 120.906 120.500 -0.008 0.000 2.404 672 R HA 0.389 4.693 4.340 -0.060 0.000 0.237 672 R C 0.194 176.541 176.300 0.078 0.000 0.907 672 R CA 0.161 56.280 56.100 0.031 0.000 1.063 672 R CB 0.490 30.813 30.300 0.040 0.000 1.134 672 R HN 0.051 nan 8.270 nan 0.000 0.529 673 A N 0.385 123.264 122.820 0.099 0.000 2.371 673 A HA 0.389 4.674 4.320 -0.060 0.000 0.257 673 A C 0.375 177.937 177.584 -0.036 0.000 1.089 673 A CA -0.506 51.562 52.037 0.050 0.000 0.794 673 A CB 0.772 19.802 19.000 0.050 0.000 1.029 673 A HN 0.476 nan 8.150 nan 0.000 0.488 674 C N -0.224 119.007 119.300 -0.116 0.000 4.100 674 C HA 0.396 4.820 4.460 -0.060 0.000 0.393 674 C C 0.239 175.103 174.990 -0.210 0.000 1.619 674 C CA -0.022 58.919 59.018 -0.127 0.000 1.976 674 C CB -0.950 26.726 27.740 -0.106 0.000 2.992 674 C HN 0.925 nan 8.230 nan 0.000 0.694 675 C N 1.507 120.602 119.300 -0.343 0.000 2.832 675 C HA 0.686 5.110 4.460 -0.060 0.000 0.383 675 C C -1.936 172.771 174.990 -0.472 0.000 1.046 675 C CA -0.517 58.348 59.018 -0.256 0.000 1.242 675 C CB -0.604 27.112 27.740 -0.039 0.000 1.693 675 C HN 0.366 nan 8.230 nan 0.000 0.497 676 F N 4.608 124.566 119.950 0.013 0.000 2.493 676 F HA 0.713 5.204 4.527 -0.060 0.000 0.329 676 F C 0.589 176.380 175.800 -0.015 0.000 1.126 676 F CA -0.220 57.774 58.000 -0.010 0.000 0.937 676 F CB 1.829 40.772 39.000 -0.096 0.000 1.146 676 F HN 0.842 nan 8.300 nan 0.000 0.442 677 A N 3.595 126.515 122.820 0.167 0.000 2.317 677 A HA 0.775 5.059 4.320 -0.060 0.000 0.327 677 A C -0.004 177.636 177.584 0.092 0.000 1.178 677 A CA -0.802 51.295 52.037 0.100 0.000 0.817 677 A CB 0.660 19.703 19.000 0.071 0.000 1.189 677 A HN 0.807 nan 8.150 nan 0.000 0.489 678 R N -0.053 120.490 120.500 0.070 0.000 2.873 678 R HA -0.126 4.178 4.340 -0.060 0.000 0.281 678 R C -0.838 175.494 176.300 0.053 0.000 0.933 678 R CA 0.582 56.721 56.100 0.065 0.000 0.712 678 R CB -2.055 28.289 30.300 0.073 0.000 1.780 678 R HN 0.765 nan 8.270 nan 0.000 0.488 679 V N 0.828 120.768 119.914 0.043 0.000 3.113 679 V HA 0.477 4.561 4.120 -0.060 0.000 0.316 679 V C -0.032 176.157 176.094 0.158 0.000 1.125 679 V CA -0.759 61.549 62.300 0.013 0.000 1.026 679 V CB 2.684 34.454 31.823 -0.088 0.000 1.080 679 V HN 0.459 nan 8.190 nan 0.000 0.444 680 E N 3.532 123.996 120.200 0.441 0.000 2.283 680 E HA 0.475 4.789 4.350 -0.060 0.000 0.271 680 E C -1.842 174.817 176.600 0.099 0.000 1.031 680 E CA -2.060 54.463 56.400 0.205 0.000 0.868 680 E CB 1.601 31.334 29.700 0.055 0.000 1.094 680 E HN 0.399 nan 8.360 nan 0.000 0.401 681 P HA -0.213 nan 4.420 nan 0.000 0.216 681 P C 1.278 178.536 177.300 -0.071 0.000 1.150 681 P CA 1.297 64.377 63.100 -0.033 0.000 0.837 681 P CB 0.123 31.790 31.700 -0.056 0.000 0.786 682 S N 0.033 115.658 115.700 -0.125 0.000 2.399 682 S HA -0.306 4.128 4.470 -0.060 0.000 0.235 682 S C 1.858 176.332 174.600 -0.210 0.000 1.063 682 S CA 2.051 60.132 58.200 -0.198 0.000 1.070 682 S CB -1.369 61.655 63.200 -0.294 0.000 0.904 682 S HN 0.296 nan 8.310 nan 0.000 0.456 683 H N 0.636 119.648 119.070 -0.097 0.000 2.363 683 H HA 0.166 4.686 4.556 -0.060 0.000 0.301 683 H C 2.391 177.591 175.328 -0.213 0.000 1.074 683 H CA 1.482 57.435 56.048 -0.159 0.000 1.354 683 H CB -0.117 29.491 29.762 -0.256 0.000 1.397 683 H HN 0.392 nan 8.280 nan 0.000 0.516 684 K N 0.298 120.662 120.400 -0.060 0.000 2.107 684 K HA -0.207 4.077 4.320 -0.060 0.000 0.211 684 K C 2.370 178.918 176.600 -0.086 0.000 1.049 684 K CA 1.786 58.019 56.287 -0.090 0.000 0.927 684 K CB -0.139 32.325 32.500 -0.060 0.000 0.714 684 K HN 0.158 nan 8.250 nan 0.000 0.452 685 S N 0.719 116.367 115.700 -0.086 0.000 2.348 685 S HA -0.135 4.299 4.470 -0.060 0.000 0.221 685 S C 1.752 176.275 174.600 -0.127 0.000 1.033 685 S CA 1.355 59.497 58.200 -0.096 0.000 1.010 685 S CB -0.087 63.055 63.200 -0.097 0.000 0.891 685 S HN 0.271 nan 8.310 nan 0.000 0.442 686 K N 0.631 120.950 120.400 -0.135 0.000 2.103 686 K HA -0.017 4.267 4.320 -0.060 0.000 0.207 686 K C 1.915 178.391 176.600 -0.207 0.000 1.048 686 K CA 1.214 57.373 56.287 -0.213 0.000 0.930 686 K CB -0.293 32.176 32.500 -0.052 0.000 0.716 686 K HN 0.320 nan 8.250 nan 0.000 0.444 687 I N 0.037 120.553 120.570 -0.090 0.000 2.252 687 I HA -0.269 3.865 4.170 -0.060 0.000 0.245 687 I C 2.167 178.303 176.117 0.033 0.000 1.102 687 I CA 0.864 62.158 61.300 -0.010 0.000 1.385 687 I CB -0.223 37.663 38.000 -0.190 0.000 1.064 687 I HN -0.056 nan 8.210 nan 0.000 0.414 688 V N 0.755 120.655 119.914 -0.023 0.000 2.233 688 V HA -0.367 3.717 4.120 -0.060 0.000 0.247 688 V C 2.509 178.606 176.094 0.003 0.000 1.050 688 V CA 2.406 64.707 62.300 0.001 0.000 1.010 688 V CB -0.523 31.287 31.823 -0.022 0.000 0.637 688 V HN 0.480 nan 8.190 nan 0.000 0.444 689 E N -0.932 119.224 120.200 -0.074 0.000 2.068 689 E HA -0.310 4.005 4.350 -0.060 0.000 0.207 689 E C 2.151 178.743 176.600 -0.014 0.000 1.032 689 E CA 2.515 58.850 56.400 -0.110 0.000 0.839 689 E CB -0.334 29.207 29.700 -0.264 0.000 0.758 689 E HN 0.672 nan 8.360 nan 0.000 0.457 690 Y N -0.399 119.941 120.300 0.066 0.000 2.165 690 Y HA -0.172 4.342 4.550 -0.060 0.000 0.286 690 Y C 2.101 178.106 175.900 0.175 0.000 1.155 690 Y CA 0.768 58.933 58.100 0.108 0.000 1.164 690 Y CB -0.517 38.050 38.460 0.178 0.000 0.978 690 Y HN 0.171 nan 8.280 nan 0.000 0.513 691 L N -0.059 121.361 121.223 0.329 0.000 2.191 691 L HA -0.222 4.082 4.340 -0.060 0.000 0.212 691 L C 2.130 179.141 176.870 0.234 0.000 1.103 691 L CA 1.631 56.646 54.840 0.292 0.000 0.769 691 L CB -1.213 40.955 42.059 0.181 0.000 0.908 691 L HN 0.329 nan 8.230 nan 0.000 0.438 692 Q N -1.379 118.505 119.800 0.140 0.000 2.163 692 Q HA -0.083 4.221 4.340 -0.060 0.000 0.198 692 Q C 2.111 178.136 176.000 0.040 0.000 0.954 692 Q CA 1.234 57.083 55.803 0.077 0.000 0.851 692 Q CB -0.163 28.595 28.738 0.033 0.000 0.928 692 Q HN 0.599 nan 8.270 nan 0.000 0.459 693 S N -0.324 115.376 115.700 -0.001 0.000 2.571 693 S HA -0.155 4.279 4.470 -0.060 0.000 0.245 693 S C 0.627 175.025 174.600 -0.338 0.000 0.976 693 S CA 0.822 58.929 58.200 -0.153 0.000 0.954 693 S CB -0.159 62.931 63.200 -0.184 0.000 0.756 693 S HN 0.368 nan 8.310 nan 0.000 0.535 694 Y N 1.020 121.359 120.300 0.065 0.000 2.682 694 Y HA 0.302 4.816 4.550 -0.060 0.000 0.251 694 Y C 0.090 176.012 175.900 0.037 0.000 1.172 694 Y CA -1.378 56.752 58.100 0.050 0.000 1.186 694 Y CB 0.030 38.524 38.460 0.056 0.000 1.216 694 Y HN 0.118 nan 8.280 nan 0.000 0.540 695 D N 1.408 121.879 120.400 0.119 0.000 2.702 695 D HA -0.250 4.355 4.640 -0.060 0.000 0.233 695 D C -0.224 176.128 176.300 0.086 0.000 1.164 695 D CA 1.002 55.050 54.000 0.080 0.000 0.638 695 D CB -0.645 40.190 40.800 0.059 0.000 1.041 695 D HN 0.530 nan 8.370 nan 0.000 0.422 696 E N -0.406 119.859 120.200 0.109 0.000 2.249 696 E HA 0.352 4.666 4.350 -0.060 0.000 0.280 696 E C 0.371 177.001 176.600 0.050 0.000 1.016 696 E CA -0.852 55.596 56.400 0.079 0.000 0.830 696 E CB 0.953 30.712 29.700 0.098 0.000 1.081 696 E HN 0.042 nan 8.360 nan 0.000 0.395 697 I N 2.883 123.468 120.570 0.024 0.000 2.396 697 I HA 0.061 4.195 4.170 -0.060 0.000 0.289 697 I C -0.046 176.079 176.117 0.013 0.000 1.056 697 I CA 0.426 61.732 61.300 0.009 0.000 1.365 697 I CB 1.147 39.138 38.000 -0.015 0.000 1.407 697 I HN 0.328 nan 8.210 nan 0.000 0.509 698 T N 6.436 120.999 114.554 0.016 0.000 2.786 698 T HA 0.713 5.027 4.350 -0.060 0.000 0.283 698 T C -0.044 174.663 174.700 0.012 0.000 0.992 698 T CA -0.663 61.451 62.100 0.023 0.000 0.954 698 T CB 1.242 70.131 68.868 0.036 0.000 0.934 698 T HN 0.627 nan 8.240 nan 0.000 0.440 699 A N 3.813 126.640 122.820 0.012 0.000 2.327 699 A HA 0.847 5.131 4.320 -0.060 0.000 0.283 699 A C -0.248 177.351 177.584 0.024 0.000 1.127 699 A CA -0.667 51.374 52.037 0.007 0.000 0.810 699 A CB 0.511 19.508 19.000 -0.006 0.000 1.066 699 A HN 0.806 nan 8.150 nan 0.000 0.492 700 M N 2.493 122.104 119.600 0.019 0.000 2.255 700 M HA 0.416 4.860 4.480 -0.060 0.000 0.275 700 M C -0.167 176.145 176.300 0.021 0.000 1.050 700 M CA -0.069 55.246 55.300 0.025 0.000 0.978 700 M CB 1.829 34.435 32.600 0.011 0.000 1.761 700 M HN 0.847 nan 8.290 nan 0.000 0.479 701 T N 1.406 115.981 114.554 0.035 0.000 2.918 701 T HA 1.002 5.316 4.350 -0.060 0.000 0.283 701 T C 0.200 174.910 174.700 0.017 0.000 1.001 701 T CA 0.020 62.138 62.100 0.030 0.000 1.041 701 T CB 1.467 70.367 68.868 0.053 0.000 1.028 701 T HN 1.320 nan 8.240 nan 0.000 0.511 702 G N 0.976 109.782 108.800 0.009 0.000 2.377 702 G HA2 0.479 4.404 3.960 -0.060 0.000 0.297 702 G HA3 0.479 4.404 3.960 -0.060 0.000 0.297 702 G C -2.046 172.851 174.900 -0.003 0.000 1.547 702 G CA -0.397 44.703 45.100 0.000 0.000 0.833 702 G HN 1.069 nan 8.290 nan 0.000 0.583 703 D N -0.942 119.453 120.400 -0.008 0.000 2.610 703 D HA 0.720 5.324 4.640 -0.060 0.000 0.271 703 D C 0.382 176.669 176.300 -0.022 0.000 1.174 703 D CA 0.291 54.284 54.000 -0.011 0.000 0.949 703 D CB 1.498 42.296 40.800 -0.004 0.000 1.430 703 D HN 2.196 nan 8.370 nan 0.000 0.467 704 G N -0.746 108.039 108.800 -0.025 0.000 2.764 704 G HA2 -0.057 3.867 3.960 -0.060 0.000 0.686 704 G HA3 -0.057 3.867 3.960 -0.060 0.000 0.686 704 G C 1.042 175.913 174.900 -0.048 0.000 1.258 704 G CA 0.258 45.333 45.100 -0.043 0.000 0.846 704 G HN 1.420 nan 8.290 nan 0.000 0.596 705 V N -0.176 119.703 119.914 -0.058 0.000 2.527 705 V HA -0.290 3.794 4.120 -0.060 0.000 0.255 705 V C 2.362 178.415 176.094 -0.068 0.000 1.081 705 V CA 2.625 64.892 62.300 -0.055 0.000 1.092 705 V CB -0.487 31.299 31.823 -0.062 0.000 0.673 705 V HN 0.764 nan 8.190 nan 0.000 0.470 706 N N 1.617 120.267 118.700 -0.083 0.000 2.094 706 N HA -0.175 4.529 4.740 -0.060 0.000 0.191 706 N C 1.290 176.760 175.510 -0.067 0.000 1.023 706 N CA 2.178 55.175 53.050 -0.088 0.000 0.857 706 N CB -0.521 37.911 38.487 -0.091 0.000 1.013 706 N HN 0.676 nan 8.380 nan 0.000 0.426 707 D N -0.369 120.000 120.400 -0.052 0.000 2.339 707 D HA 0.209 4.813 4.640 -0.060 0.000 0.217 707 D C 1.513 177.792 176.300 -0.037 0.000 1.050 707 D CA 0.064 54.039 54.000 -0.042 0.000 0.856 707 D CB -0.058 40.724 40.800 -0.030 0.000 0.922 707 D HN 0.165 nan 8.370 nan 0.000 0.518 708 A N 1.765 124.562 122.820 -0.037 0.000 1.908 708 A HA -0.104 4.181 4.320 -0.060 0.000 0.218 708 A C -0.207 177.358 177.584 -0.033 0.000 1.181 708 A CA 1.133 53.153 52.037 -0.030 0.000 0.627 708 A CB -1.344 17.640 19.000 -0.026 0.000 0.818 708 A HN 0.165 nan 8.150 nan 0.000 0.445 709 P HA -0.099 nan 4.420 nan 0.000 0.218 709 P C 1.415 178.689 177.300 -0.043 0.000 1.148 709 P CA 1.915 64.989 63.100 -0.043 0.000 0.822 709 P CB -0.016 31.652 31.700 -0.054 0.000 0.784 710 A N -1.237 121.557 122.820 -0.043 0.000 2.044 710 A HA 0.061 4.345 4.320 -0.060 0.000 0.213 710 A C 1.992 179.559 177.584 -0.029 0.000 1.169 710 A CA 0.433 52.446 52.037 -0.040 0.000 0.724 710 A CB -1.191 17.782 19.000 -0.045 0.000 0.840 710 A HN 0.081 nan 8.150 nan 0.000 0.463 711 L N -0.519 120.688 121.223 -0.026 0.000 2.275 711 L HA -0.118 4.186 4.340 -0.060 0.000 0.215 711 L C 2.405 179.263 176.870 -0.021 0.000 1.119 711 L CA 1.625 56.453 54.840 -0.020 0.000 0.790 711 L CB -0.331 41.718 42.059 -0.017 0.000 0.919 711 L HN 0.447 nan 8.230 nan 0.000 0.443 712 K N 0.580 120.966 120.400 -0.024 0.000 2.021 712 K HA -0.102 4.183 4.320 -0.060 0.000 0.205 712 K C 2.227 178.813 176.600 -0.024 0.000 1.047 712 K CA 0.907 57.180 56.287 -0.024 0.000 0.943 712 K CB 0.096 32.581 32.500 -0.025 0.000 0.725 712 K HN -0.067 nan 8.250 nan 0.000 0.439 713 K N 0.593 120.977 120.400 -0.028 0.000 2.103 713 K HA -0.045 4.239 4.320 -0.060 0.000 0.207 713 K C 0.261 176.848 176.600 -0.020 0.000 1.048 713 K CA 0.900 57.170 56.287 -0.028 0.000 0.930 713 K CB -0.256 32.221 32.500 -0.038 0.000 0.716 713 K HN 0.286 nan 8.250 nan 0.000 0.444 714 A N 1.635 124.445 122.820 -0.018 0.000 2.454 714 A HA 0.061 4.345 4.320 -0.060 0.000 0.260 714 A C 0.682 178.260 177.584 -0.010 0.000 1.106 714 A CA -0.178 51.854 52.037 -0.010 0.000 0.780 714 A CB 0.367 19.363 19.000 -0.007 0.000 1.044 714 A HN 0.170 nan 8.150 nan 0.000 0.498 715 E N 1.367 121.563 120.200 -0.007 0.000 2.136 715 E HA -0.206 4.109 4.350 -0.060 0.000 0.202 715 E C -0.234 176.357 176.600 -0.014 0.000 1.019 715 E CA 1.824 58.218 56.400 -0.010 0.000 0.819 715 E CB -0.335 29.360 29.700 -0.008 0.000 0.739 715 E HN 0.655 nan 8.360 nan 0.000 0.458 716 I N 0.054 120.616 120.570 -0.013 0.000 2.495 716 I HA 0.284 4.418 4.170 -0.060 0.000 0.277 716 I C 0.318 176.427 176.117 -0.013 0.000 1.045 716 I CA -0.454 60.836 61.300 -0.017 0.000 1.135 716 I CB 1.668 39.655 38.000 -0.022 0.000 1.241 716 I HN -0.095 nan 8.210 nan 0.000 0.469 717 G N 6.532 115.324 108.800 -0.015 0.000 2.398 717 G HA2 0.554 4.478 3.960 -0.060 0.000 0.246 717 G HA3 0.554 4.478 3.960 -0.060 0.000 0.246 717 G C -0.234 174.658 174.900 -0.014 0.000 1.289 717 G CA -0.150 44.942 45.100 -0.013 0.000 0.869 717 G HN 0.522 nan 8.290 nan 0.000 0.543 718 I N 1.968 122.533 120.570 -0.009 0.000 2.439 718 I HA 0.417 4.551 4.170 -0.060 0.000 0.283 718 I C 0.570 176.684 176.117 -0.003 0.000 1.023 718 I CA -0.715 60.579 61.300 -0.009 0.000 1.100 718 I CB 1.675 39.670 38.000 -0.007 0.000 1.238 718 I HN 0.606 nan 8.210 nan 0.000 0.445 719 A N 7.739 130.555 122.820 -0.007 0.000 2.274 719 A HA 0.899 5.183 4.320 -0.060 0.000 0.297 719 A C -0.187 177.397 177.584 0.000 0.000 1.191 719 A CA -0.582 51.454 52.037 -0.003 0.000 0.889 719 A CB 0.900 19.897 19.000 -0.005 0.000 1.294 719 A HN 0.631 nan 8.150 nan 0.000 0.506 720 M N -0.038 119.564 119.600 0.003 0.000 2.528 720 M HA 0.319 4.764 4.480 -0.060 0.000 0.321 720 M C 1.403 177.705 176.300 0.002 0.000 1.153 720 M CA -0.158 55.145 55.300 0.005 0.000 0.951 720 M CB 0.767 33.374 32.600 0.011 0.000 1.705 720 M HN 0.884 nan 8.290 nan 0.000 0.451 721 G N 1.271 110.072 108.800 0.000 0.000 2.529 721 G HA2 -0.246 3.678 3.960 -0.060 0.000 0.219 721 G HA3 -0.246 3.678 3.960 -0.060 0.000 0.219 721 G C 1.294 176.195 174.900 0.002 0.000 1.177 721 G CA 1.695 46.795 45.100 -0.001 0.000 0.773 721 G HN 0.786 nan 8.290 nan 0.000 0.573 722 S N 0.679 116.382 115.700 0.005 0.000 2.555 722 S HA 0.278 4.712 4.470 -0.060 0.000 0.230 722 S C 1.497 176.101 174.600 0.007 0.000 0.978 722 S CA 0.393 58.596 58.200 0.006 0.000 0.934 722 S CB -0.328 62.877 63.200 0.008 0.000 0.766 722 S HN 0.600 nan 8.310 nan 0.000 0.533 723 G N 1.857 110.662 108.800 0.007 0.000 2.716 723 G HA2 0.361 4.285 3.960 -0.060 0.000 0.251 723 G HA3 0.361 4.285 3.960 -0.060 0.000 0.251 723 G C 0.179 175.086 174.900 0.013 0.000 1.224 723 G CA 0.077 45.182 45.100 0.008 0.000 0.891 723 G HN 0.465 nan 8.290 nan 0.000 0.561 724 T N -1.997 112.566 114.554 0.015 0.000 2.856 724 T HA 0.404 4.718 4.350 -0.060 0.000 0.306 724 T C 1.784 176.509 174.700 0.041 0.000 1.062 724 T CA 0.662 62.781 62.100 0.031 0.000 1.083 724 T CB 0.978 69.859 68.868 0.021 0.000 0.984 724 T HN 1.043 nan 8.240 nan 0.000 0.542 725 A N 2.563 125.425 122.820 0.069 0.000 1.849 725 A HA -0.058 4.227 4.320 -0.060 0.000 0.217 725 A C 2.562 180.176 177.584 0.051 0.000 1.202 725 A CA 2.279 54.352 52.037 0.060 0.000 0.629 725 A CB -1.477 17.570 19.000 0.078 0.000 0.834 725 A HN 0.897 nan 8.150 nan 0.000 0.447 726 V N 0.018 119.980 119.914 0.080 0.000 2.332 726 V HA -0.293 3.791 4.120 -0.060 0.000 0.248 726 V C 3.048 179.156 176.094 0.023 0.000 1.055 726 V CA 2.149 64.482 62.300 0.056 0.000 1.038 726 V CB -1.557 30.311 31.823 0.074 0.000 0.651 726 V HN 0.674 nan 8.190 nan 0.000 0.450 727 A N -0.106 122.723 122.820 0.015 0.000 1.892 727 A HA -0.310 3.975 4.320 -0.060 0.000 0.218 727 A C 2.305 179.889 177.584 -0.000 0.000 1.188 727 A CA 2.395 54.433 52.037 0.002 0.000 0.631 727 A CB -0.530 18.469 19.000 -0.002 0.000 0.822 727 A HN 0.566 nan 8.150 nan 0.000 0.447 728 K N -0.795 119.607 120.400 0.003 0.000 2.032 728 K HA -0.152 4.133 4.320 -0.060 0.000 0.209 728 K C 2.304 178.899 176.600 -0.008 0.000 1.048 728 K CA 1.976 58.261 56.287 -0.003 0.000 0.927 728 K CB -0.522 31.976 32.500 -0.002 0.000 0.712 728 K HN 0.749 nan 8.250 nan 0.000 0.441 729 T N -0.914 113.637 114.554 -0.004 0.000 2.849 729 T HA -0.105 4.209 4.350 -0.060 0.000 0.270 729 T C 1.914 176.607 174.700 -0.012 0.000 1.066 729 T CA 1.195 63.289 62.100 -0.010 0.000 1.130 729 T CB -0.228 68.637 68.868 -0.006 0.000 0.864 729 T HN 0.185 nan 8.240 nan 0.000 0.481 730 A N 1.351 124.166 122.820 -0.010 0.000 2.167 730 A HA 0.350 4.634 4.320 -0.060 0.000 0.214 730 A C 1.713 179.288 177.584 -0.016 0.000 1.151 730 A CA 0.518 52.547 52.037 -0.013 0.000 0.735 730 A CB -0.424 18.568 19.000 -0.013 0.000 0.802 730 A HN 0.750 nan 8.150 nan 0.000 0.467 731 S N -0.633 115.057 115.700 -0.016 0.000 2.730 731 S HA 0.443 4.877 4.470 -0.060 0.000 0.284 731 S C 0.418 175.006 174.600 -0.021 0.000 1.153 731 S CA -0.146 58.044 58.200 -0.017 0.000 0.995 731 S CB 0.899 64.090 63.200 -0.015 0.000 1.058 731 S HN 0.348 nan 8.310 nan 0.000 0.552 732 E N -0.282 119.905 120.200 -0.022 0.000 2.447 732 E HA 0.275 4.590 4.350 -0.060 0.000 0.204 732 E C 0.036 176.620 176.600 -0.027 0.000 0.977 732 E CA 0.176 56.561 56.400 -0.025 0.000 0.950 732 E CB 0.300 29.985 29.700 -0.024 0.000 0.975 732 E HN 0.636 nan 8.360 nan 0.000 0.496 733 M N 1.219 120.803 119.600 -0.027 0.000 2.501 733 M HA 0.384 4.829 4.480 -0.060 0.000 0.293 733 M C -1.893 174.391 176.300 -0.026 0.000 1.192 733 M CA -0.804 54.478 55.300 -0.030 0.000 0.886 733 M CB 2.898 35.477 32.600 -0.036 0.000 1.710 733 M HN -0.255 nan 8.290 nan 0.000 0.457 734 V N 4.977 124.875 119.914 -0.027 0.000 2.525 734 V HA 0.407 4.492 4.120 -0.060 0.000 0.299 734 V C -0.542 175.538 176.094 -0.023 0.000 1.034 734 V CA -0.724 61.563 62.300 -0.021 0.000 0.863 734 V CB 1.974 33.785 31.823 -0.019 0.000 0.999 734 V HN 0.755 nan 8.190 nan 0.000 0.423 735 L N 4.281 125.492 121.223 -0.019 0.000 2.342 735 L HA 0.341 4.645 4.340 -0.060 0.000 0.285 735 L C 1.659 178.522 176.870 -0.012 0.000 1.095 735 L CA -0.153 54.675 54.840 -0.019 0.000 0.843 735 L CB 0.959 43.011 42.059 -0.012 0.000 1.201 735 L HN 0.841 nan 8.230 nan 0.000 0.445 736 A N 2.824 125.634 122.820 -0.016 0.000 2.024 736 A HA -0.178 4.106 4.320 -0.060 0.000 0.220 736 A C 1.520 179.101 177.584 -0.006 0.000 1.164 736 A CA 1.799 53.829 52.037 -0.012 0.000 0.643 736 A CB -0.266 18.724 19.000 -0.016 0.000 0.806 736 A HN 0.879 nan 8.150 nan 0.000 0.451 737 D N -3.384 117.014 120.400 -0.004 0.000 2.469 737 D HA 0.148 4.753 4.640 -0.060 0.000 0.213 737 D C -0.235 176.072 176.300 0.011 0.000 1.135 737 D CA 0.709 54.710 54.000 0.002 0.000 0.834 737 D CB -0.052 40.749 40.800 0.001 0.000 1.009 737 D HN 0.244 nan 8.370 nan 0.000 0.507 738 D N -0.397 120.010 120.400 0.011 0.000 2.653 738 D HA -0.215 4.389 4.640 -0.060 0.000 0.184 738 D C 0.013 176.339 176.300 0.042 0.000 0.993 738 D CA 0.994 55.008 54.000 0.024 0.000 1.027 738 D CB -2.088 38.727 40.800 0.025 0.000 1.089 738 D HN 0.442 nan 8.370 nan 0.000 0.447 739 N N -0.474 118.248 118.700 0.037 0.000 2.412 739 N HA 0.119 4.823 4.740 -0.060 0.000 0.254 739 N C 1.000 176.563 175.510 0.088 0.000 1.232 739 N CA 0.020 53.107 53.050 0.063 0.000 0.880 739 N CB 0.188 38.697 38.487 0.036 0.000 1.076 739 N HN 0.114 nan 8.380 nan 0.000 0.458 740 F N 2.880 122.821 119.950 -0.015 0.000 2.259 740 F HA -0.084 4.407 4.527 -0.059 0.000 0.298 740 F C 2.338 178.127 175.800 -0.019 0.000 1.088 740 F CA 1.338 59.328 58.000 -0.018 0.000 1.358 740 F CB -0.251 38.736 39.000 -0.020 0.000 1.040 740 F HN 0.572 nan 8.300 nan 0.000 0.505 741 S N -1.195 114.490 115.700 -0.025 0.000 2.453 741 S HA -0.143 4.291 4.470 -0.060 0.000 0.231 741 S C 1.813 176.298 174.600 -0.192 0.000 1.005 741 S CA 1.293 59.403 58.200 -0.150 0.000 0.949 741 S CB -1.176 62.037 63.200 0.023 0.000 0.774 741 S HN 0.417 nan 8.310 nan 0.000 0.510 742 T N 2.911 117.384 114.554 -0.136 0.000 2.833 742 T HA 0.055 4.370 4.350 -0.060 0.000 0.269 742 T C 1.604 176.203 174.700 -0.168 0.000 1.054 742 T CA 1.541 63.571 62.100 -0.117 0.000 1.135 742 T CB -0.476 68.351 68.868 -0.070 0.000 0.869 742 T HN 0.464 nan 8.240 nan 0.000 0.466 743 I N 0.699 121.112 120.570 -0.261 0.000 2.113 743 I HA -0.160 3.974 4.170 -0.060 0.000 0.238 743 I C 2.494 178.437 176.117 -0.291 0.000 1.070 743 I CA 0.979 62.109 61.300 -0.283 0.000 1.332 743 I CB -0.662 37.107 38.000 -0.386 0.000 1.044 743 I HN 0.066 nan 8.210 nan 0.000 0.402 744 V N 1.327 120.989 119.914 -0.419 0.000 2.282 744 V HA -0.361 3.723 4.120 -0.060 0.000 0.249 744 V C 2.768 178.761 176.094 -0.167 0.000 1.057 744 V CA 2.162 64.288 62.300 -0.290 0.000 1.032 744 V CB -1.268 30.387 31.823 -0.279 0.000 0.645 744 V HN 0.533 nan 8.190 nan 0.000 0.447 745 A N 0.210 122.942 122.820 -0.148 0.000 1.859 745 A HA -0.209 4.076 4.320 -0.060 0.000 0.217 745 A C 2.463 179.992 177.584 -0.091 0.000 1.198 745 A CA 2.568 54.547 52.037 -0.098 0.000 0.629 745 A CB -1.100 17.850 19.000 -0.083 0.000 0.830 745 A HN 0.651 nan 8.150 nan 0.000 0.446 746 A N -1.063 121.697 122.820 -0.100 0.000 1.978 746 A HA -0.046 4.238 4.320 -0.060 0.000 0.220 746 A C 2.286 179.824 177.584 -0.076 0.000 1.170 746 A CA 1.849 53.837 52.037 -0.083 0.000 0.636 746 A CB -0.948 18.002 19.000 -0.084 0.000 0.810 746 A HN 0.729 nan 8.150 nan 0.000 0.448 747 V N -0.250 119.610 119.914 -0.090 0.000 2.667 747 V HA -0.177 3.907 4.120 -0.060 0.000 0.252 747 V C 2.314 178.373 176.094 -0.059 0.000 1.065 747 V CA 2.408 64.662 62.300 -0.076 0.000 1.083 747 V CB -0.198 31.573 31.823 -0.087 0.000 0.692 747 V HN 0.803 nan 8.190 nan 0.000 0.468 748 E N -0.366 119.799 120.200 -0.059 0.000 2.051 748 E HA -0.252 4.063 4.350 -0.060 0.000 0.189 748 E C 2.105 178.685 176.600 -0.033 0.000 0.979 748 E CA 1.248 57.623 56.400 -0.042 0.000 0.803 748 E CB -0.077 29.597 29.700 -0.044 0.000 0.761 748 E HN 0.651 nan 8.360 nan 0.000 0.451 749 E N 0.145 120.319 120.200 -0.043 0.000 2.048 749 E HA -0.185 4.129 4.350 -0.060 0.000 0.202 749 E C 1.899 178.484 176.600 -0.025 0.000 1.021 749 E CA 1.958 58.332 56.400 -0.043 0.000 0.825 749 E CB -0.793 28.873 29.700 -0.056 0.000 0.756 749 E HN 0.389 nan 8.360 nan 0.000 0.454 750 G N -0.033 108.752 108.800 -0.025 0.000 2.462 750 G HA2 -0.301 3.623 3.960 -0.060 0.000 0.220 750 G HA3 -0.301 3.623 3.960 -0.060 0.000 0.220 750 G C 1.628 176.544 174.900 0.025 0.000 1.121 750 G CA 0.772 45.870 45.100 -0.004 0.000 0.758 750 G HN 0.137 nan 8.290 nan 0.000 0.559 751 R N 0.133 120.637 120.500 0.007 0.000 2.092 751 R HA 0.043 4.347 4.340 -0.060 0.000 0.231 751 R C 2.974 179.322 176.300 0.081 0.000 1.119 751 R CA 1.123 57.240 56.100 0.028 0.000 0.970 751 R CB -0.249 30.050 30.300 -0.001 0.000 0.864 751 R HN 0.375 nan 8.270 nan 0.000 0.440 752 A N 0.972 123.817 122.820 0.043 0.000 1.930 752 A HA -0.071 4.214 4.320 -0.060 0.000 0.215 752 A C 1.939 179.551 177.584 0.046 0.000 1.176 752 A CA 0.798 52.856 52.037 0.036 0.000 0.632 752 A CB -0.148 18.851 19.000 -0.002 0.000 0.819 752 A HN 0.066 nan 8.150 nan 0.000 0.445 753 I N -1.243 119.354 120.570 0.044 0.000 2.394 753 I HA -0.181 3.953 4.170 -0.060 0.000 0.251 753 I C 2.262 178.435 176.117 0.094 0.000 1.136 753 I CA 1.177 62.505 61.300 0.046 0.000 1.425 753 I CB -1.513 36.503 38.000 0.027 0.000 1.079 753 I HN 0.622 nan 8.210 nan 0.000 0.425 754 Y N 1.810 122.107 120.300 -0.005 0.000 2.286 754 Y HA -0.109 4.406 4.550 -0.058 0.000 0.293 754 Y C 2.398 178.289 175.900 -0.016 0.000 1.124 754 Y CA 1.353 59.446 58.100 -0.012 0.000 1.178 754 Y CB -0.152 38.296 38.460 -0.020 0.000 1.010 754 Y HN 0.104 nan 8.280 nan 0.000 0.536 755 N N 1.048 119.812 118.700 0.108 0.000 2.069 755 N HA -0.205 4.499 4.740 -0.060 0.000 0.191 755 N C 1.216 176.674 175.510 -0.086 0.000 1.031 755 N CA 1.713 54.766 53.050 0.004 0.000 0.852 755 N CB -0.536 38.001 38.487 0.083 0.000 1.018 755 N HN 0.444 nan 8.380 nan 0.000 0.423 756 N N 0.519 119.208 118.700 -0.017 0.000 2.289 756 N HA -0.006 4.698 4.740 -0.060 0.000 0.184 756 N C 1.756 177.302 175.510 0.060 0.000 1.016 756 N CA 0.600 53.673 53.050 0.039 0.000 0.872 756 N CB -0.137 38.402 38.487 0.086 0.000 0.973 756 N HN 0.321 nan 8.380 nan 0.000 0.433 757 M N 0.265 119.824 119.600 -0.069 0.000 2.156 757 M HA -0.100 4.344 4.480 -0.060 0.000 0.264 757 M C 2.037 177.940 176.300 -0.662 0.000 1.067 757 M CA 1.113 56.225 55.300 -0.312 0.000 1.131 757 M CB -0.157 32.297 32.600 -0.243 0.000 1.368 757 M HN 0.060 nan 8.290 nan 0.000 0.416 758 K N -0.035 120.014 120.400 -0.585 0.000 2.160 758 K HA -0.268 4.017 4.320 -0.060 0.000 0.206 758 K C 1.947 178.333 176.600 -0.357 0.000 1.047 758 K CA 1.561 57.543 56.287 -0.509 0.000 0.930 758 K CB 0.124 32.356 32.500 -0.447 0.000 0.720 758 K HN 0.149 nan 8.250 nan 0.000 0.450 759 Q N 0.283 119.928 119.800 -0.257 0.000 1.896 759 Q HA -0.122 4.182 4.340 -0.060 0.000 0.205 759 Q C 1.908 177.832 176.000 -0.128 0.000 0.978 759 Q CA 2.057 57.787 55.803 -0.123 0.000 0.850 759 Q CB -0.720 28.008 28.738 -0.018 0.000 0.908 759 Q HN 0.443 nan 8.270 nan 0.000 0.431 760 F N -0.542 119.373 119.950 -0.059 0.000 2.287 760 F HA -0.095 4.395 4.527 -0.062 0.000 0.301 760 F C 1.642 177.439 175.800 -0.006 0.000 1.069 760 F CA 0.824 58.829 58.000 0.009 0.000 1.372 760 F CB -0.577 38.419 39.000 -0.006 0.000 1.056 760 F HN 0.101 nan 8.300 nan 0.000 0.523 761 I N 0.524 120.587 120.570 -0.845 0.000 2.315 761 I HA -0.195 3.939 4.170 -0.060 0.000 0.248 761 I C 2.559 178.437 176.117 -0.400 0.000 1.117 761 I CA 1.218 62.127 61.300 -0.652 0.000 1.404 761 I CB -0.373 37.196 38.000 -0.719 0.000 1.071 761 I HN 0.128 nan 8.210 nan 0.000 0.419 762 R N -0.560 119.723 120.500 -0.361 0.000 2.093 762 R HA -0.155 4.149 4.340 -0.060 0.000 0.224 762 R C 2.299 178.349 176.300 -0.416 0.000 1.101 762 R CA 1.123 56.974 56.100 -0.416 0.000 0.979 762 R CB -0.504 29.548 30.300 -0.413 0.000 0.877 762 R HN 0.306 nan 8.270 nan 0.000 0.441 763 Y N 2.014 122.118 120.300 -0.326 0.000 2.036 763 Y HA -0.253 4.256 4.550 -0.067 0.000 0.273 763 Y C 1.927 177.731 175.900 -0.161 0.000 1.135 763 Y CA 1.618 59.592 58.100 -0.210 0.000 1.106 763 Y CB -0.603 37.813 38.460 -0.074 0.000 0.976 763 Y HN -0.095 nan 8.280 nan 0.000 0.483 764 L N -0.054 121.011 121.223 -0.262 0.000 2.137 764 L HA -0.288 4.017 4.340 -0.060 0.000 0.213 764 L C 2.488 179.197 176.870 -0.268 0.000 1.085 764 L CA 1.672 56.326 54.840 -0.311 0.000 0.760 764 L CB -0.587 41.443 42.059 -0.048 0.000 0.893 764 L HN 0.419 nan 8.230 nan 0.000 0.434 765 I N -1.503 118.914 120.570 -0.255 0.000 2.333 765 I HA -0.241 3.894 4.170 -0.060 0.000 0.246 765 I C 2.773 178.758 176.117 -0.221 0.000 1.106 765 I CA 0.919 62.102 61.300 -0.193 0.000 1.411 765 I CB -0.209 37.663 38.000 -0.212 0.000 1.082 765 I HN 0.172 nan 8.210 nan 0.000 0.420 766 S N 0.684 116.183 115.700 -0.336 0.000 2.380 766 S HA -0.239 4.195 4.470 -0.060 0.000 0.229 766 S C 2.213 176.706 174.600 -0.179 0.000 1.043 766 S CA 2.330 60.358 58.200 -0.286 0.000 1.038 766 S CB -0.221 62.778 63.200 -0.335 0.000 0.872 766 S HN 0.484 nan 8.310 nan 0.000 0.456 767 S N 1.738 117.295 115.700 -0.238 0.000 2.356 767 S HA -0.104 4.330 4.470 -0.060 0.000 0.223 767 S C 1.646 176.186 174.600 -0.099 0.000 1.032 767 S CA 1.609 59.705 58.200 -0.172 0.000 1.005 767 S CB -0.895 62.163 63.200 -0.236 0.000 0.867 767 S HN 0.733 nan 8.310 nan 0.000 0.449 768 N N 0.906 119.548 118.700 -0.096 0.000 2.223 768 N HA -0.061 4.643 4.740 -0.060 0.000 0.185 768 N C 1.491 176.983 175.510 -0.030 0.000 1.016 768 N CA 0.989 54.012 53.050 -0.046 0.000 0.863 768 N CB -0.271 38.202 38.487 -0.023 0.000 0.983 768 N HN 0.136 nan 8.380 nan 0.000 0.429 769 V N 0.241 120.130 119.914 -0.041 0.000 2.515 769 V HA -0.106 3.978 4.120 -0.060 0.000 0.250 769 V C 2.260 178.350 176.094 -0.006 0.000 1.058 769 V CA 1.918 64.202 62.300 -0.027 0.000 1.064 769 V CB -0.871 30.928 31.823 -0.040 0.000 0.675 769 V HN 0.432 nan 8.190 nan 0.000 0.461 770 G N -0.383 108.413 108.800 -0.008 0.000 2.395 770 G HA2 -0.158 3.767 3.960 -0.060 0.000 0.214 770 G HA3 -0.158 3.767 3.960 -0.060 0.000 0.214 770 G C 1.400 176.310 174.900 0.016 0.000 1.177 770 G CA 0.545 45.653 45.100 0.012 0.000 0.794 770 G HN 0.545 nan 8.290 nan 0.000 0.532 771 E N 0.098 120.301 120.200 0.005 0.000 2.160 771 E HA -0.099 4.215 4.350 -0.060 0.000 0.195 771 E C 2.617 179.238 176.600 0.034 0.000 0.991 771 E CA 0.865 57.275 56.400 0.017 0.000 0.810 771 E CB -0.064 29.641 29.700 0.008 0.000 0.742 771 E HN 0.321 nan 8.360 nan 0.000 0.466 772 V N 0.613 120.545 119.914 0.031 0.000 2.255 772 V HA -0.190 3.895 4.120 -0.060 0.000 0.243 772 V C 2.264 178.414 176.094 0.093 0.000 1.038 772 V CA 1.172 63.501 62.300 0.049 0.000 1.008 772 V CB -0.260 31.572 31.823 0.015 0.000 0.645 772 V HN 0.118 nan 8.190 nan 0.000 0.449 773 V N -0.024 119.937 119.914 0.077 0.000 2.660 773 V HA -0.322 3.762 4.120 -0.060 0.000 0.257 773 V C 2.538 178.720 176.094 0.147 0.000 1.088 773 V CA 2.090 64.466 62.300 0.127 0.000 1.106 773 V CB -0.882 30.992 31.823 0.085 0.000 0.686 773 V HN 0.853 nan 8.190 nan 0.000 0.481 774 C N 0.219 119.576 119.300 0.094 0.000 2.489 774 C HA -0.061 4.363 4.460 -0.060 0.000 0.279 774 C C 2.400 177.442 174.990 0.086 0.000 1.266 774 C CA 0.536 59.597 59.018 0.071 0.000 1.707 774 C CB -0.805 26.959 27.740 0.041 0.000 2.059 774 C HN 0.502 nan 8.230 nan 0.000 0.481 775 I N 0.857 121.486 120.570 0.098 0.000 3.001 775 I HA 0.019 4.153 4.170 -0.060 0.000 0.268 775 I C 2.050 178.254 176.117 0.145 0.000 1.267 775 I CA 1.074 62.431 61.300 0.096 0.000 1.472 775 I CB -1.698 36.353 38.000 0.084 0.000 1.089 775 I HN 0.383 nan 8.210 nan 0.000 0.468 776 F N 1.225 121.192 119.950 0.028 0.000 2.416 776 F HA -0.004 4.486 4.527 -0.063 0.000 0.296 776 F C 2.115 177.943 175.800 0.046 0.000 1.099 776 F CA 1.098 59.121 58.000 0.039 0.000 1.427 776 F CB 0.051 39.076 39.000 0.042 0.000 1.079 776 F HN -0.100 nan 8.300 nan 0.000 0.536 777 L N -1.232 120.003 121.223 0.019 0.000 2.068 777 L HA -0.125 4.179 4.340 -0.060 0.000 0.204 777 L C 2.275 179.103 176.870 -0.070 0.000 1.076 777 L CA 1.570 56.374 54.840 -0.060 0.000 0.753 777 L CB -1.288 40.783 42.059 0.019 0.000 0.910 777 L HN -0.015 nan 8.230 nan 0.000 0.439 778 T N -0.632 113.910 114.554 -0.020 0.000 3.139 778 T HA -0.008 4.306 4.350 -0.060 0.000 0.267 778 T C 1.304 175.995 174.700 -0.014 0.000 1.164 778 T CA 1.097 63.190 62.100 -0.013 0.000 1.075 778 T CB 0.064 68.937 68.868 0.008 0.000 0.904 778 T HN 0.448 nan 8.240 nan 0.000 0.540 779 A N -0.523 122.265 122.820 -0.054 0.000 1.975 779 A HA 0.716 5.000 4.320 -0.060 0.000 0.197 779 A C 2.317 179.836 177.584 -0.107 0.000 1.537 779 A CA 0.719 52.736 52.037 -0.035 0.000 0.972 779 A CB -0.668 18.329 19.000 -0.005 0.000 1.019 779 A HN 0.424 nan 8.150 nan 0.000 0.488 780 A N -0.209 122.436 122.820 -0.291 0.000 2.014 780 A HA 0.226 4.511 4.320 -0.060 0.000 0.218 780 A C 1.696 179.182 177.584 -0.163 0.000 1.163 780 A CA 1.199 53.029 52.037 -0.344 0.000 0.652 780 A CB -0.372 18.202 19.000 -0.709 0.000 0.808 780 A HN 0.410 nan 8.150 nan 0.000 0.449 781 L N -1.853 119.302 121.223 -0.113 0.000 2.693 781 L HA 0.288 4.593 4.340 -0.060 0.000 0.235 781 L C 1.485 178.344 176.870 -0.018 0.000 1.127 781 L CA 0.435 55.248 54.840 -0.046 0.000 0.914 781 L CB 0.084 42.130 42.059 -0.022 0.000 1.193 781 L HN 0.508 nan 8.230 nan 0.000 0.502 782 G N 0.991 109.777 108.800 -0.023 0.000 2.148 782 G HA2 -0.266 3.658 3.960 -0.060 0.000 0.254 782 G HA3 -0.266 3.658 3.960 -0.060 0.000 0.254 782 G C 0.409 175.313 174.900 0.006 0.000 0.981 782 G CA 0.286 45.386 45.100 0.000 0.000 0.670 782 G HN 0.242 nan 8.290 nan 0.000 0.528 783 L N 0.190 121.409 121.223 -0.007 0.000 2.475 783 L HA 0.440 4.744 4.340 -0.060 0.000 0.212 783 L C -1.511 175.339 176.870 -0.034 0.000 1.204 783 L CA -1.815 53.005 54.840 -0.033 0.000 0.843 783 L CB -0.244 41.775 42.059 -0.067 0.000 1.360 783 L HN -0.010 nan 8.230 nan 0.000 0.527 784 P HA 0.101 nan 4.420 nan 0.000 0.292 784 P C -1.130 176.144 177.300 -0.044 0.000 1.287 784 P CA -0.633 62.436 63.100 -0.052 0.000 0.800 784 P CB 0.701 32.340 31.700 -0.101 0.000 0.945 785 E N 3.094 123.299 120.200 0.008 0.000 2.752 785 E HA -0.108 4.206 4.350 -0.060 0.000 0.241 785 E C 0.549 177.156 176.600 0.012 0.000 1.016 785 E CA 0.225 56.637 56.400 0.021 0.000 0.952 785 E CB 0.121 29.850 29.700 0.047 0.000 0.921 785 E HN 0.478 nan 8.360 nan 0.000 0.515 786 A N 4.704 127.528 122.820 0.007 0.000 2.067 786 A HA 0.033 4.318 4.320 -0.060 0.000 0.219 786 A C 1.041 178.640 177.584 0.024 0.000 1.158 786 A CA 0.652 52.695 52.037 0.009 0.000 0.661 786 A CB 0.051 19.058 19.000 0.013 0.000 0.801 786 A HN 0.606 nan 8.150 nan 0.000 0.452 787 L N -0.391 120.853 121.223 0.037 0.000 2.431 787 L HA 0.590 4.894 4.340 -0.060 0.000 0.266 787 L C -0.435 176.474 176.870 0.065 0.000 0.978 787 L CA -0.802 54.069 54.840 0.052 0.000 0.822 787 L CB 2.191 44.281 42.059 0.052 0.000 1.310 787 L HN 0.432 nan 8.230 nan 0.000 0.409 788 I N -0.266 120.353 120.570 0.082 0.000 2.982 788 I HA 0.635 4.769 4.170 -0.060 0.000 0.312 788 I C -1.967 174.216 176.117 0.110 0.000 1.041 788 I CA -2.027 59.328 61.300 0.092 0.000 1.053 788 I CB 1.795 39.851 38.000 0.094 0.000 1.248 788 I HN 0.303 nan 8.210 nan 0.000 0.471 789 P HA -0.244 nan 4.420 nan 0.000 0.209 789 P C 1.677 179.067 177.300 0.151 0.000 1.080 789 P CA 1.720 64.891 63.100 0.118 0.000 0.971 789 P CB -0.299 31.469 31.700 0.114 0.000 0.768 790 V N -0.379 119.628 119.914 0.155 0.000 2.982 790 V HA -0.242 3.842 4.120 -0.060 0.000 0.265 790 V C 2.512 178.805 176.094 0.333 0.000 1.122 790 V CA 1.765 64.175 62.300 0.183 0.000 1.143 790 V CB -1.551 30.322 31.823 0.084 0.000 0.726 790 V HN 0.247 nan 8.190 nan 0.000 0.507 791 Q N -0.165 119.820 119.800 0.308 0.000 2.033 791 Q HA -0.008 4.296 4.340 -0.060 0.000 0.196 791 Q C 2.316 178.489 176.000 0.287 0.000 0.970 791 Q CA 1.182 57.184 55.803 0.332 0.000 0.828 791 Q CB -0.249 28.610 28.738 0.200 0.000 0.895 791 Q HN 0.492 nan 8.270 nan 0.000 0.440 792 L N 0.728 122.069 121.223 0.196 0.000 2.012 792 L HA -0.235 4.069 4.340 -0.060 0.000 0.210 792 L C 2.412 179.379 176.870 0.161 0.000 1.073 792 L CA 1.107 56.034 54.840 0.145 0.000 0.748 792 L CB -0.672 41.448 42.059 0.101 0.000 0.891 792 L HN 0.255 nan 8.230 nan 0.000 0.431 793 L N -1.092 120.247 121.223 0.194 0.000 2.013 793 L HA -0.300 4.004 4.340 -0.060 0.000 0.212 793 L C 2.549 179.555 176.870 0.227 0.000 1.073 793 L CA 1.694 56.645 54.840 0.185 0.000 0.753 793 L CB -0.734 41.442 42.059 0.195 0.000 0.890 793 L HN 0.548 nan 8.230 nan 0.000 0.432 794 W N 0.425 121.823 121.300 0.164 0.000 2.342 794 W HA -0.185 4.437 4.660 -0.063 0.000 0.297 794 W C 2.107 178.666 176.519 0.067 0.000 1.213 794 W CA 1.690 59.134 57.345 0.165 0.000 1.251 794 W CB -0.046 29.574 29.460 0.267 0.000 1.136 794 W HN -0.035 nan 8.180 nan 0.000 0.526 795 V N 1.725 121.713 119.914 0.122 0.000 2.358 795 V HA -0.325 3.759 4.120 -0.060 0.000 0.246 795 V C 2.127 178.168 176.094 -0.089 0.000 1.047 795 V CA 2.198 64.488 62.300 -0.017 0.000 1.035 795 V CB -0.917 30.928 31.823 0.037 0.000 0.658 795 V HN 0.123 nan 8.190 nan 0.000 0.452 796 N N -0.149 118.525 118.700 -0.043 0.000 2.250 796 N HA -0.031 4.673 4.740 -0.060 0.000 0.181 796 N C 1.583 177.047 175.510 -0.076 0.000 1.017 796 N CA 0.973 53.991 53.050 -0.054 0.000 0.866 796 N CB -0.226 38.251 38.487 -0.017 0.000 0.985 796 N HN 0.299 nan 8.380 nan 0.000 0.429 797 L N -0.230 120.936 121.223 -0.096 0.000 2.127 797 L HA 0.022 4.327 4.340 -0.060 0.000 0.203 797 L C 1.901 178.631 176.870 -0.235 0.000 1.080 797 L CA 0.855 55.621 54.840 -0.123 0.000 0.768 797 L CB 0.022 42.034 42.059 -0.078 0.000 0.924 797 L HN -0.060 nan 8.230 nan 0.000 0.444 798 V N -3.491 116.161 119.914 -0.436 0.000 2.996 798 V HA 0.001 4.085 4.120 -0.060 0.000 0.235 798 V C 2.119 177.940 176.094 -0.454 0.000 1.205 798 V CA 1.096 63.038 62.300 -0.597 0.000 1.225 798 V CB -0.180 30.891 31.823 -1.252 0.000 0.995 798 V HN 0.234 nan 8.190 nan 0.000 0.484 799 T N 0.858 115.130 114.554 -0.470 0.000 2.708 799 T HA -0.174 4.141 4.350 -0.060 0.000 0.266 799 T C 1.410 176.051 174.700 -0.098 0.000 1.037 799 T CA 2.112 64.077 62.100 -0.225 0.000 1.146 799 T CB -0.289 68.500 68.868 -0.131 0.000 0.865 799 T HN 0.444 nan 8.240 nan 0.000 0.435 800 D N 0.181 120.537 120.400 -0.072 0.000 2.346 800 D HA 0.162 4.766 4.640 -0.060 0.000 0.206 800 D C 2.205 178.548 176.300 0.072 0.000 1.001 800 D CA 0.393 54.427 54.000 0.056 0.000 0.871 800 D CB -0.625 40.144 40.800 -0.053 0.000 0.943 800 D HN 0.434 nan 8.370 nan 0.000 0.518 801 G N 1.165 109.934 108.800 -0.052 0.000 2.418 801 G HA2 -0.186 3.738 3.960 -0.060 0.000 0.217 801 G HA3 -0.186 3.738 3.960 -0.060 0.000 0.217 801 G C 1.460 176.315 174.900 -0.076 0.000 1.158 801 G CA 0.323 45.381 45.100 -0.069 0.000 0.771 801 G HN 0.164 nan 8.290 nan 0.000 0.545 802 L N 1.048 122.216 121.223 -0.091 0.000 2.072 802 L HA 0.059 4.363 4.340 -0.060 0.000 0.205 802 L C 0.098 176.905 176.870 -0.105 0.000 1.079 802 L CA 1.353 56.133 54.840 -0.099 0.000 0.752 802 L CB -1.928 40.071 42.059 -0.101 0.000 0.906 802 L HN 0.155 nan 8.230 nan 0.000 0.436 803 P HA -0.060 nan 4.420 nan 0.000 0.217 803 P C 1.690 178.876 177.300 -0.190 0.000 1.151 803 P CA 1.591 64.610 63.100 -0.134 0.000 0.828 803 P CB 0.077 31.716 31.700 -0.102 0.000 0.788 804 A N -0.749 122.036 122.820 -0.059 0.000 1.902 804 A HA -0.185 4.099 4.320 -0.060 0.000 0.217 804 A C 2.243 179.669 177.584 -0.263 0.000 1.181 804 A CA 2.433 54.451 52.037 -0.031 0.000 0.623 804 A CB -1.923 17.198 19.000 0.202 0.000 0.818 804 A HN 0.153 nan 8.150 nan 0.000 0.443 805 T N 0.129 114.528 114.554 -0.258 0.000 2.777 805 T HA 0.037 4.351 4.350 -0.060 0.000 0.266 805 T C 2.115 176.703 174.700 -0.187 0.000 1.040 805 T CA 1.404 63.343 62.100 -0.268 0.000 1.141 805 T CB -0.361 68.407 68.868 -0.167 0.000 0.868 805 T HN 0.578 nan 8.240 nan 0.000 0.444 806 A N 0.790 123.468 122.820 -0.236 0.000 2.172 806 A HA 0.180 4.465 4.320 -0.060 0.000 0.216 806 A C 2.001 179.497 177.584 -0.147 0.000 1.154 806 A CA 0.703 52.539 52.037 -0.335 0.000 0.701 806 A CB -0.681 18.177 19.000 -0.237 0.000 0.789 806 A HN 0.488 nan 8.150 nan 0.000 0.465 807 L N -0.815 120.351 121.223 -0.096 0.000 2.610 807 L HA 0.031 4.336 4.340 -0.060 0.000 0.232 807 L C 2.034 178.966 176.870 0.103 0.000 1.149 807 L CA 0.442 55.273 54.840 -0.014 0.000 0.872 807 L CB 0.043 42.075 42.059 -0.045 0.000 0.992 807 L HN 0.463 nan 8.230 nan 0.000 0.447 808 G N -1.602 107.305 108.800 0.177 0.000 3.284 808 G HA2 0.066 3.990 3.960 -0.060 0.000 0.236 808 G HA3 0.066 3.990 3.960 -0.060 0.000 0.236 808 G C 0.684 175.759 174.900 0.291 0.000 1.158 808 G CA -0.173 45.056 45.100 0.215 0.000 0.774 808 G HN 0.346 nan 8.290 nan 0.000 0.545 809 F N 0.274 120.159 119.950 -0.107 0.000 2.764 809 F HA 0.296 4.788 4.527 -0.059 0.000 0.310 809 F C 0.271 176.014 175.800 -0.096 0.000 1.124 809 F CA -1.185 56.724 58.000 -0.152 0.000 1.252 809 F CB 0.396 39.240 39.000 -0.260 0.000 1.010 809 F HN -0.129 nan 8.300 nan 0.000 0.518 810 N N 3.421 122.189 118.700 0.113 0.000 2.441 810 N HA 0.086 4.790 4.740 -0.060 0.000 0.251 810 N C -2.424 173.102 175.510 0.026 0.000 1.242 810 N CA -1.321 51.763 53.050 0.057 0.000 0.898 810 N CB 0.058 38.569 38.487 0.039 0.000 1.100 810 N HN -0.017 nan 8.380 nan 0.000 0.443 811 P HA 0.192 nan 4.420 nan 0.000 0.276 811 P C -2.407 174.894 177.300 0.002 0.000 1.253 811 P CA -0.946 62.158 63.100 0.007 0.000 0.766 811 P CB 0.007 31.713 31.700 0.009 0.000 0.845 812 P HA 0.194 nan 4.420 nan 0.000 0.274 812 P C -0.394 176.908 177.300 0.003 0.000 1.231 812 P CA -0.130 62.970 63.100 0.001 0.000 0.790 812 P CB 0.658 32.354 31.700 -0.007 0.000 0.951 813 D N 0.583 120.988 120.400 0.008 0.000 2.443 813 D HA -0.018 4.586 4.640 -0.060 0.000 0.234 813 D C 1.253 177.556 176.300 0.006 0.000 1.172 813 D CA 0.213 54.218 54.000 0.009 0.000 0.878 813 D CB 0.281 41.090 40.800 0.015 0.000 1.204 813 D HN 0.283 nan 8.370 nan 0.000 0.453 814 L N 1.022 122.249 121.223 0.006 0.000 2.591 814 L HA 0.062 4.366 4.340 -0.060 0.000 0.228 814 L C 0.868 177.740 176.870 0.004 0.000 1.133 814 L CA 0.413 55.255 54.840 0.004 0.000 0.880 814 L CB -0.286 41.776 42.059 0.005 0.000 1.033 814 L HN 0.419 nan 8.230 nan 0.000 0.450 815 D N -1.199 119.205 120.400 0.006 0.000 2.650 815 D HA -0.014 4.590 4.640 -0.060 0.000 0.265 815 D C 1.552 177.857 176.300 0.008 0.000 1.339 815 D CA -0.250 53.754 54.000 0.006 0.000 0.816 815 D CB 0.196 41.001 40.800 0.008 0.000 1.091 815 D HN 0.005 nan 8.370 nan 0.000 0.483 816 I N 0.429 121.004 120.570 0.008 0.000 2.264 816 I HA -0.152 3.982 4.170 -0.060 0.000 0.248 816 I C 1.288 177.408 176.117 0.005 0.000 1.111 816 I CA 1.166 62.472 61.300 0.010 0.000 1.382 816 I CB -0.000 38.005 38.000 0.009 0.000 1.060 816 I HN 0.086 nan 8.210 nan 0.000 0.418 817 M N -1.008 118.592 119.600 -0.001 0.000 2.371 817 M HA 0.087 4.531 4.480 -0.060 0.000 0.246 817 M C 0.548 176.846 176.300 -0.003 0.000 1.103 817 M CA 0.480 55.776 55.300 -0.005 0.000 1.010 817 M CB -0.475 32.119 32.600 -0.010 0.000 1.457 817 M HN 0.033 nan 8.290 nan 0.000 0.486 818 D N 1.669 122.070 120.400 0.001 0.000 2.427 818 D HA 0.133 4.737 4.640 -0.060 0.000 0.224 818 D C 0.101 176.403 176.300 0.002 0.000 1.157 818 D CA 0.129 54.130 54.000 0.001 0.000 0.828 818 D CB 0.593 41.394 40.800 0.002 0.000 0.974 818 D HN 0.349 nan 8.370 nan 0.000 0.498 819 R N -0.442 120.060 120.500 0.002 0.000 2.686 819 R HA 0.556 4.861 4.340 -0.060 0.000 0.283 819 R C -2.974 173.325 176.300 -0.001 0.000 0.978 819 R CA -1.615 54.487 56.100 0.003 0.000 0.897 819 R CB 0.494 30.800 30.300 0.009 0.000 1.192 819 R HN -0.321 nan 8.270 nan 0.000 0.457 820 P HA 0.034 nan 4.420 nan 0.000 0.269 820 P C -2.330 174.962 177.300 -0.014 0.000 1.205 820 P CA -0.768 62.328 63.100 -0.006 0.000 0.780 820 P CB -0.401 31.297 31.700 -0.002 0.000 0.858 821 P HA 0.067 nan 4.420 nan 0.000 0.268 821 P C 0.107 177.378 177.300 -0.048 0.000 1.205 821 P CA 0.089 63.164 63.100 -0.041 0.000 0.771 821 P CB 0.257 31.934 31.700 -0.037 0.000 0.858 822 R N 3.068 123.518 120.500 -0.085 0.000 2.389 822 R HA 0.188 4.492 4.340 -0.060 0.000 0.295 822 R C 0.056 176.301 176.300 -0.090 0.000 1.075 822 R CA 0.222 56.268 56.100 -0.089 0.000 1.005 822 R CB 0.010 30.222 30.300 -0.147 0.000 0.987 822 R HN 0.460 nan 8.270 nan 0.000 0.452 823 S N 3.864 119.539 115.700 -0.041 0.000 2.576 823 S HA 0.156 4.590 4.470 -0.060 0.000 0.272 823 S C -1.690 172.889 174.600 -0.035 0.000 1.352 823 S CA -1.035 57.151 58.200 -0.024 0.000 1.021 823 S CB 0.541 63.744 63.200 0.005 0.000 0.887 823 S HN 0.649 nan 8.310 nan 0.000 0.542 824 P HA 0.234 nan 4.420 nan 0.000 0.262 824 P C -0.117 177.192 177.300 0.015 0.000 1.304 824 P CA 0.093 63.186 63.100 -0.011 0.000 0.859 824 P CB -0.055 31.639 31.700 -0.010 0.000 1.310 825 K N -1.335 119.077 120.400 0.021 0.000 2.358 825 K HA 0.192 4.476 4.320 -0.060 0.000 0.200 825 K C 0.454 177.082 176.600 0.046 0.000 1.030 825 K CA -0.013 56.294 56.287 0.034 0.000 1.097 825 K CB -0.212 32.308 32.500 0.032 0.000 0.862 825 K HN -0.057 nan 8.250 nan 0.000 0.534 826 E N 2.896 123.125 120.200 0.049 0.000 2.366 826 E HA 0.083 4.397 4.350 -0.060 0.000 0.266 826 E C -2.132 174.518 176.600 0.084 0.000 1.015 826 E CA -1.895 54.547 56.400 0.070 0.000 0.906 826 E CB 0.479 30.227 29.700 0.080 0.000 0.979 826 E HN 0.200 nan 8.360 nan 0.000 0.443 827 P HA 0.086 nan 4.420 nan 0.000 0.288 827 P C -0.023 177.332 177.300 0.092 0.000 1.267 827 P CA -0.343 62.814 63.100 0.095 0.000 0.815 827 P CB 0.837 32.602 31.700 0.109 0.000 0.989 828 L N 1.826 123.087 121.223 0.062 0.000 2.291 828 L HA 0.094 4.398 4.340 -0.060 0.000 0.214 828 L C 0.905 177.795 176.870 0.034 0.000 1.120 828 L CA 1.382 56.229 54.840 0.012 0.000 0.799 828 L CB -0.658 41.347 42.059 -0.090 0.000 0.925 828 L HN 0.366 nan 8.230 nan 0.000 0.446 829 I N -0.122 120.500 120.570 0.086 0.000 2.497 829 I HA 0.414 4.548 4.170 -0.060 0.000 0.284 829 I C -0.659 175.596 176.117 0.231 0.000 1.060 829 I CA -0.261 61.119 61.300 0.133 0.000 1.071 829 I CB 1.560 39.603 38.000 0.071 0.000 1.216 829 I HN 0.062 nan 8.210 nan 0.000 0.442 830 S N 3.601 119.442 115.700 0.234 0.000 2.565 830 S HA 0.861 5.295 4.470 -0.060 0.000 0.274 830 S C -0.195 174.539 174.600 0.223 0.000 1.144 830 S CA -0.126 58.222 58.200 0.246 0.000 0.849 830 S CB 1.694 64.998 63.200 0.173 0.000 1.103 830 S HN 1.367 nan 8.310 nan 0.000 0.455 831 G N 2.391 111.317 108.800 0.210 0.000 2.527 831 G HA2 -0.339 3.585 3.960 -0.060 0.000 0.268 831 G HA3 -0.339 3.585 3.960 -0.060 0.000 0.268 831 G C 0.732 175.815 174.900 0.305 0.000 1.175 831 G CA 0.319 45.552 45.100 0.221 0.000 0.962 831 G HN 1.417 nan 8.290 nan 0.000 0.560 832 W N 0.007 121.383 121.300 0.126 0.000 2.468 832 W HA 0.069 4.691 4.660 -0.063 0.000 0.262 832 W C 2.113 178.702 176.519 0.117 0.000 1.241 832 W CA 1.478 58.909 57.345 0.142 0.000 1.232 832 W CB -0.074 29.444 29.460 0.096 0.000 1.124 832 W HN 0.366 nan 8.180 nan 0.000 0.597 833 L N 0.011 121.303 121.223 0.114 0.000 2.395 833 L HA -0.057 4.247 4.340 -0.060 0.000 0.218 833 L C 1.899 178.756 176.870 -0.021 0.000 1.130 833 L CA 1.317 56.137 54.840 -0.033 0.000 0.826 833 L CB -1.148 40.974 42.059 0.106 0.000 0.941 833 L HN -0.130 nan 8.230 nan 0.000 0.451 834 F N -1.360 118.579 119.950 -0.019 0.000 2.187 834 F HA -0.128 4.364 4.527 -0.059 0.000 0.295 834 F C 2.168 177.955 175.800 -0.021 0.000 1.091 834 F CA 1.215 59.235 58.000 0.035 0.000 1.308 834 F CB -0.337 38.707 39.000 0.073 0.000 1.030 834 F HN 0.100 nan 8.300 nan 0.000 0.487 835 F N 1.005 120.941 119.950 -0.024 0.000 2.661 835 F HA -0.045 4.455 4.527 -0.044 0.000 0.298 835 F C 2.360 177.857 175.800 -0.506 0.000 1.137 835 F CA 0.721 58.581 58.000 -0.234 0.000 1.454 835 F CB -0.193 38.586 39.000 -0.369 0.000 1.103 835 F HN -0.039 nan 8.300 nan 0.000 0.577 836 R N -1.013 119.025 120.500 -0.769 0.000 2.161 836 R HA -0.102 4.202 4.340 -0.060 0.000 0.213 836 R C 0.581 176.453 176.300 -0.713 0.000 1.055 836 R CA 1.497 57.054 56.100 -0.904 0.000 0.996 836 R CB -0.647 29.064 30.300 -0.982 0.000 0.901 836 R HN 0.284 nan 8.270 nan 0.000 0.456 837 Y N 0.338 120.474 120.300 -0.273 0.000 2.467 837 Y HA 0.234 4.744 4.550 -0.066 0.000 0.250 837 Y C 1.354 177.129 175.900 -0.208 0.000 1.155 837 Y CA -0.261 57.703 58.100 -0.226 0.000 1.249 837 Y CB 0.518 38.840 38.460 -0.230 0.000 1.146 837 Y HN 0.227 nan 8.280 nan 0.000 0.524 838 M N -2.168 117.391 119.600 -0.069 0.000 2.465 838 M HA 0.468 4.912 4.480 -0.060 0.000 0.249 838 M C 1.608 177.888 176.300 -0.033 0.000 1.130 838 M CA 1.148 56.457 55.300 0.016 0.000 1.067 838 M CB 0.042 32.767 32.600 0.210 0.000 1.394 838 M HN -0.061 nan 8.290 nan 0.000 0.483 839 A N 1.242 123.943 122.820 -0.198 0.000 1.871 839 A HA 0.176 4.460 4.320 -0.060 0.000 0.211 839 A C 2.016 179.566 177.584 -0.057 0.000 1.207 839 A CA 0.945 52.856 52.037 -0.210 0.000 0.620 839 A CB -0.523 18.195 19.000 -0.470 0.000 0.860 839 A HN 0.462 nan 8.150 nan 0.000 0.450 840 I N 0.588 121.122 120.570 -0.060 0.000 2.361 840 I HA -0.170 3.964 4.170 -0.060 0.000 0.251 840 I C 2.518 178.696 176.117 0.102 0.000 1.133 840 I CA 1.556 62.882 61.300 0.043 0.000 1.413 840 I CB -1.915 36.139 38.000 0.090 0.000 1.073 840 I HN 0.361 nan 8.210 nan 0.000 0.424 841 G N 0.431 109.269 108.800 0.065 0.000 2.430 841 G HA2 -0.087 3.837 3.960 -0.060 0.000 0.216 841 G HA3 -0.087 3.837 3.960 -0.060 0.000 0.216 841 G C 1.646 176.585 174.900 0.064 0.000 1.146 841 G CA 0.645 45.775 45.100 0.050 0.000 0.793 841 G HN 0.483 nan 8.290 nan 0.000 0.537 842 G N -0.950 107.894 108.800 0.073 0.000 2.920 842 G HA2 0.021 3.945 3.960 -0.060 0.000 0.208 842 G HA3 0.021 3.945 3.960 -0.060 0.000 0.208 842 G C 1.264 176.227 174.900 0.106 0.000 1.159 842 G CA 0.587 45.737 45.100 0.084 0.000 0.784 842 G HN 0.443 nan 8.290 nan 0.000 0.535 843 Y N 0.105 120.406 120.300 0.002 0.000 2.441 843 Y HA 0.186 4.738 4.550 0.003 0.000 0.288 843 Y C 2.424 178.330 175.900 0.009 0.000 1.118 843 Y CA 0.522 58.624 58.100 0.003 0.000 1.215 843 Y CB 0.375 38.829 38.460 -0.011 0.000 1.118 843 Y HN -0.003 nan 8.280 nan 0.000 0.547 844 V N 0.007 119.976 119.914 0.091 0.000 2.453 844 V HA -0.159 3.925 4.120 -0.060 0.000 0.247 844 V C 2.334 178.405 176.094 -0.038 0.000 1.048 844 V CA 1.835 64.142 62.300 0.012 0.000 1.049 844 V CB -1.285 30.576 31.823 0.063 0.000 0.672 844 V HN 0.591 nan 8.190 nan 0.000 0.457 845 G N -1.122 107.676 108.800 -0.004 0.000 2.882 845 G HA2 0.190 4.114 3.960 -0.060 0.000 0.206 845 G HA3 0.190 4.114 3.960 -0.060 0.000 0.206 845 G C 1.152 176.044 174.900 -0.013 0.000 1.155 845 G CA 0.929 46.036 45.100 0.013 0.000 0.800 845 G HN 0.594 nan 8.290 nan 0.000 0.524 846 A N -0.216 122.548 122.820 -0.094 0.000 1.975 846 A HA 0.681 4.965 4.320 -0.060 0.000 0.197 846 A C 2.377 179.853 177.584 -0.180 0.000 1.537 846 A CA 1.231 53.193 52.037 -0.125 0.000 0.972 846 A CB -0.386 18.520 19.000 -0.155 0.000 1.019 846 A HN 0.472 nan 8.150 nan 0.000 0.488 847 A N 0.377 123.016 122.820 -0.302 0.000 2.014 847 A HA -0.012 4.273 4.320 -0.060 0.000 0.218 847 A C 2.269 179.776 177.584 -0.128 0.000 1.163 847 A CA 2.359 54.232 52.037 -0.274 0.000 0.652 847 A CB -1.092 17.677 19.000 -0.385 0.000 0.808 847 A HN 0.746 nan 8.150 nan 0.000 0.449 848 T N -3.974 110.530 114.554 -0.083 0.000 3.023 848 T HA 0.042 4.356 4.350 -0.060 0.000 0.266 848 T C 1.540 176.235 174.700 -0.009 0.000 1.093 848 T CA 1.188 63.270 62.100 -0.029 0.000 1.129 848 T CB -0.059 68.803 68.868 -0.010 0.000 0.899 848 T HN 0.019 nan 8.240 nan 0.000 0.491 849 V N 1.178 121.081 119.914 -0.017 0.000 2.878 849 V HA 0.242 4.326 4.120 -0.060 0.000 0.250 849 V C 2.721 178.828 176.094 0.022 0.000 1.075 849 V CA 1.260 63.563 62.300 0.006 0.000 1.096 849 V CB -0.580 31.247 31.823 0.006 0.000 0.724 849 V HN 0.648 nan 8.190 nan 0.000 0.467 850 G N -0.089 108.703 108.800 -0.012 0.000 2.505 850 G HA2 -0.186 3.738 3.960 -0.060 0.000 0.214 850 G HA3 -0.186 3.738 3.960 -0.060 0.000 0.214 850 G C 1.698 176.635 174.900 0.060 0.000 1.237 850 G CA 0.883 45.982 45.100 -0.002 0.000 0.802 850 G HN 0.573 nan 8.290 nan 0.000 0.549 851 A N 0.580 123.390 122.820 -0.017 0.000 2.121 851 A HA 0.389 4.674 4.320 -0.060 0.000 0.218 851 A C 2.593 180.321 177.584 0.240 0.000 1.154 851 A CA 2.041 54.071 52.037 -0.012 0.000 0.679 851 A CB -0.429 18.477 19.000 -0.157 0.000 0.795 851 A HN 0.699 nan 8.150 nan 0.000 0.458 852 A N -0.139 122.794 122.820 0.189 0.000 1.850 852 A HA 0.359 4.643 4.320 -0.060 0.000 0.212 852 A C 2.446 180.236 177.584 0.343 0.000 1.208 852 A CA 1.392 53.560 52.037 0.219 0.000 0.609 852 A CB -1.129 17.934 19.000 0.105 0.000 0.860 852 A HN 1.020 nan 8.150 nan 0.000 0.448 853 A N -1.806 121.163 122.820 0.248 0.000 2.070 853 A HA -0.173 4.111 4.320 -0.060 0.000 0.220 853 A C 1.864 179.657 177.584 0.348 0.000 1.159 853 A CA 1.399 53.587 52.037 0.251 0.000 0.656 853 A CB -0.941 18.127 19.000 0.114 0.000 0.800 853 A HN 0.861 nan 8.150 nan 0.000 0.453 854 W N -1.155 120.231 121.300 0.143 0.000 2.421 854 W HA -0.116 4.525 4.660 -0.032 0.000 0.270 854 W C 1.691 178.315 176.519 0.176 0.000 1.233 854 W CA 1.209 58.621 57.345 0.111 0.000 1.226 854 W CB -0.225 29.258 29.460 0.037 0.000 1.121 854 W HN 0.527 nan 8.180 nan 0.000 0.579 855 W N -0.704 120.708 121.300 0.187 0.000 2.584 855 W HA -0.028 4.593 4.660 -0.064 0.000 0.264 855 W C 1.184 177.616 176.519 -0.146 0.000 1.264 855 W CA 1.056 58.379 57.345 -0.038 0.000 1.306 855 W CB -0.551 28.955 29.460 0.077 0.000 1.110 855 W HN -0.161 nan 8.180 nan 0.000 0.606 856 F N -0.326 119.627 119.950 0.004 0.000 2.797 856 F HA 0.103 4.593 4.527 -0.062 0.000 0.302 856 F C 1.912 177.553 175.800 -0.266 0.000 1.130 856 F CA 0.831 58.709 58.000 -0.202 0.000 1.387 856 F CB 0.060 39.007 39.000 -0.088 0.000 1.107 856 F HN -0.133 nan 8.300 nan 0.000 0.577 857 M N -2.878 116.660 119.600 -0.103 0.000 3.046 857 M HA 0.082 4.527 4.480 -0.060 0.000 0.215 857 M C 0.690 176.852 176.300 -0.229 0.000 1.815 857 M CA 0.763 56.002 55.300 -0.102 0.000 1.316 857 M CB -0.122 32.537 32.600 0.098 0.000 1.187 857 M HN -0.066 nan 8.290 nan 0.000 0.595 858 Y N 0.789 120.683 120.300 -0.676 0.000 2.571 858 Y HA 0.486 5.006 4.550 -0.050 0.000 0.275 858 Y C 0.843 176.188 175.900 -0.926 0.000 1.179 858 Y CA -0.883 56.778 58.100 -0.731 0.000 1.242 858 Y CB 0.375 38.450 38.460 -0.642 0.000 1.126 858 Y HN 0.153 nan 8.280 nan 0.000 0.524 859 A N 0.158 122.492 122.820 -0.810 0.000 2.271 859 A HA 0.294 4.578 4.320 -0.060 0.000 0.288 859 A C 0.856 178.130 177.584 -0.517 0.000 1.094 859 A CA -0.424 51.140 52.037 -0.788 0.000 0.828 859 A CB 0.756 19.239 19.000 -0.863 0.000 1.091 859 A HN 0.297 nan 8.150 nan 0.000 0.493 860 E N 0.260 120.240 120.200 -0.368 0.000 2.057 860 E HA -0.046 4.268 4.350 -0.060 0.000 0.191 860 E C 0.419 176.868 176.600 -0.252 0.000 0.959 860 E CA 0.751 57.003 56.400 -0.246 0.000 0.828 860 E CB -0.333 29.288 29.700 -0.130 0.000 0.800 860 E HN 0.694 nan 8.360 nan 0.000 0.460 861 D N 0.852 121.132 120.400 -0.200 0.000 2.355 861 D HA 0.067 4.671 4.640 -0.060 0.000 0.218 861 D C 0.714 176.857 176.300 -0.261 0.000 1.004 861 D CA 0.410 54.318 54.000 -0.154 0.000 0.880 861 D CB 0.126 40.907 40.800 -0.032 0.000 0.911 861 D HN 0.048 nan 8.370 nan 0.000 0.528 862 G N 0.732 109.187 108.800 -0.574 0.000 2.410 862 G HA2 0.418 4.342 3.960 -0.060 0.000 0.330 862 G HA3 0.418 4.342 3.960 -0.060 0.000 0.330 862 G C -2.617 171.645 174.900 -1.063 0.000 1.142 862 G CA -1.398 42.984 45.100 -1.196 0.000 0.902 862 G HN -0.198 nan 8.290 nan 0.000 0.491 863 P HA 0.098 nan 4.420 nan 0.000 0.248 863 P C 0.674 177.535 177.300 -0.731 0.000 1.254 863 P CA 0.261 62.899 63.100 -0.770 0.000 1.252 863 P CB 0.233 31.465 31.700 -0.780 0.000 1.465 864 G N 2.872 111.330 108.800 -0.570 0.000 3.343 864 G HA2 0.273 4.197 3.960 -0.060 0.000 0.264 864 G HA3 0.273 4.197 3.960 -0.060 0.000 0.264 864 G C 0.197 174.889 174.900 -0.348 0.000 0.884 864 G CA -0.368 44.440 45.100 -0.487 0.000 1.916 864 G HN 0.388 nan 8.290 nan 0.000 0.618 865 V N 0.730 120.471 119.914 -0.288 0.000 2.313 865 V HA 0.379 4.463 4.120 -0.060 0.000 0.252 865 V C 0.780 176.820 176.094 -0.090 0.000 1.112 865 V CA -0.752 61.470 62.300 -0.131 0.000 0.984 865 V CB -0.652 31.117 31.823 -0.089 0.000 1.157 865 V HN 0.432 nan 8.190 nan 0.000 0.493 866 T N 2.018 116.438 114.554 -0.223 0.000 2.867 866 T HA 0.267 4.581 4.350 -0.060 0.000 0.297 866 T C 0.187 174.680 174.700 -0.345 0.000 0.989 866 T CA 0.176 61.995 62.100 -0.469 0.000 1.159 866 T CB -0.413 67.981 68.868 -0.791 0.000 0.928 866 T HN 1.167 nan 8.240 nan 0.000 0.538 867 Y N -0.421 119.944 120.300 0.110 0.000 3.825 867 Y HA -0.209 4.304 4.550 -0.061 0.000 0.221 867 Y C 0.937 176.897 175.900 0.101 0.000 1.195 867 Y CA 0.584 58.744 58.100 0.099 0.000 1.699 867 Y CB -3.193 35.306 38.460 0.065 0.000 1.531 867 Y HN 0.895 nan 8.280 nan 0.000 0.640 868 H N 2.851 122.002 119.070 0.135 0.000 2.989 868 H HA 0.065 4.585 4.556 -0.060 0.000 0.284 868 H C 0.444 175.877 175.328 0.174 0.000 1.440 868 H CA 0.511 56.643 56.048 0.140 0.000 1.209 868 H CB -0.058 29.759 29.762 0.091 0.000 1.453 868 H HN 0.435 nan 8.280 nan 0.000 0.550 869 Q N 1.032 120.973 119.800 0.236 0.000 2.402 869 Q HA -0.234 4.070 4.340 -0.060 0.000 0.356 869 Q C 1.452 177.615 176.000 0.271 0.000 1.344 869 Q CA 0.315 56.266 55.803 0.246 0.000 1.062 869 Q CB -1.526 27.360 28.738 0.247 0.000 1.268 869 Q HN 0.685 nan 8.270 nan 0.000 0.383 870 L N -1.177 120.175 121.223 0.215 0.000 2.353 870 L HA -0.159 4.145 4.340 -0.060 0.000 0.220 870 L C 2.066 179.008 176.870 0.120 0.000 1.133 870 L CA 1.552 56.492 54.840 0.167 0.000 0.798 870 L CB -0.397 41.722 42.059 0.100 0.000 0.922 870 L HN 0.292 nan 8.230 nan 0.000 0.445 871 T N -2.699 111.937 114.554 0.136 0.000 2.896 871 T HA -0.161 4.154 4.350 -0.060 0.000 0.263 871 T C 1.867 176.643 174.700 0.126 0.000 1.050 871 T CA 0.805 62.964 62.100 0.099 0.000 1.140 871 T CB -0.243 68.677 68.868 0.086 0.000 0.877 871 T HN 0.366 nan 8.240 nan 0.000 0.457 872 H N 1.065 120.214 119.070 0.133 0.000 2.299 872 H HA 0.044 4.564 4.556 -0.060 0.000 0.302 872 H C 0.245 175.724 175.328 0.252 0.000 1.078 872 H CA 1.121 57.279 56.048 0.184 0.000 1.323 872 H CB -0.028 29.887 29.762 0.255 0.000 1.381 872 H HN 0.453 nan 8.280 nan 0.000 0.498 873 F N -0.917 119.180 119.950 0.244 0.000 2.585 873 F HA 0.421 4.913 4.527 -0.058 0.000 0.319 873 F C -0.549 175.238 175.800 -0.023 0.000 1.165 873 F CA -0.986 57.089 58.000 0.124 0.000 0.949 873 F CB 0.951 40.069 39.000 0.196 0.000 1.218 873 F HN -0.190 nan 8.300 nan 0.000 0.453 874 M N 3.943 123.446 119.600 -0.161 0.000 2.692 874 M HA 0.197 4.641 4.480 -0.060 0.000 0.372 874 M C 0.206 176.387 176.300 -0.198 0.000 1.192 874 M CA 0.368 55.439 55.300 -0.382 0.000 0.928 874 M CB 0.617 33.072 32.600 -0.241 0.000 1.366 874 M HN 0.903 nan 8.290 nan 0.000 0.517 875 Q N -1.392 118.418 119.800 0.017 0.000 2.462 875 Q HA 0.098 4.403 4.340 -0.060 0.000 0.224 875 Q C 1.277 177.338 176.000 0.102 0.000 0.911 875 Q CA 0.212 56.043 55.803 0.046 0.000 0.925 875 Q CB 0.502 29.279 28.738 0.064 0.000 1.063 875 Q HN 0.532 nan 8.270 nan 0.000 0.572 876 c N 1.892 120.691 118.600 0.332 0.000 4.259 876 c HA -0.196 4.339 4.570 -0.060 0.000 0.294 876 c C 1.629 175.775 174.090 0.093 0.000 1.459 876 c CA 0.973 57.475 56.329 0.287 0.000 2.016 876 c CB -2.170 40.459 42.510 0.198 0.000 1.274 876 c HN 0.663 nan 8.230 nan 0.000 0.792 877 T N -0.684 113.899 114.554 0.048 0.000 2.995 877 T HA -0.086 4.228 4.350 -0.060 0.000 0.269 877 T C 1.410 176.088 174.700 -0.037 0.000 1.091 877 T CA 1.815 63.914 62.100 -0.001 0.000 1.128 877 T CB 0.076 68.939 68.868 -0.009 0.000 0.891 877 T HN 0.797 nan 8.240 nan 0.000 0.492 878 E N 0.646 120.797 120.200 -0.082 0.000 2.065 878 E HA 0.025 4.339 4.350 -0.060 0.000 0.191 878 E C 0.582 177.109 176.600 -0.121 0.000 0.960 878 E CA 0.252 56.577 56.400 -0.126 0.000 0.824 878 E CB 0.104 29.694 29.700 -0.182 0.000 0.793 878 E HN 0.164 nan 8.360 nan 0.000 0.459 879 D N -0.177 120.118 120.400 -0.175 0.000 2.723 879 D HA -0.210 4.395 4.640 -0.060 0.000 0.236 879 D C 0.528 176.756 176.300 -0.120 0.000 1.138 879 D CA 0.953 54.905 54.000 -0.079 0.000 0.676 879 D CB -1.198 39.614 40.800 0.019 0.000 1.069 879 D HN 0.599 nan 8.370 nan 0.000 0.430 880 H N -1.262 117.635 119.070 -0.289 0.000 2.476 880 H HA 0.223 4.743 4.556 -0.060 0.000 0.292 880 H C -1.178 174.074 175.328 -0.127 0.000 1.019 880 H CA 0.910 56.776 56.048 -0.303 0.000 1.330 880 H CB -0.329 29.273 29.762 -0.267 0.000 1.451 880 H HN 0.301 nan 8.280 nan 0.000 0.535 881 P HA -0.049 nan 4.420 nan 0.000 0.227 881 P C 0.090 177.471 177.300 0.136 0.000 1.161 881 P CA 1.061 63.909 63.100 -0.420 0.000 0.788 881 P CB -0.288 31.283 31.700 -0.214 0.000 0.822 882 H N -0.537 118.602 119.070 0.116 0.000 2.628 882 H HA 0.300 4.821 4.556 -0.059 0.000 0.250 882 H C 0.796 176.210 175.328 0.143 0.000 1.442 882 H CA -0.723 55.449 56.048 0.206 0.000 1.282 882 H CB -0.704 29.197 29.762 0.232 0.000 1.487 882 H HN -0.265 nan 8.280 nan 0.000 0.544 883 F N 1.581 121.386 119.950 -0.243 0.000 2.001 883 F HA -0.128 4.363 4.527 -0.060 0.000 0.301 883 F C 1.501 177.113 175.800 -0.313 0.000 1.293 883 F CA 1.544 59.413 58.000 -0.218 0.000 1.196 883 F CB -0.397 38.512 39.000 -0.152 0.000 0.944 883 F HN 0.478 nan 8.300 nan 0.000 0.525 884 E N -0.064 120.099 120.200 -0.061 0.000 2.384 884 E HA 0.406 4.720 4.350 -0.060 0.000 0.266 884 E C -0.193 176.250 176.600 -0.263 0.000 1.012 884 E CA 0.533 56.864 56.400 -0.116 0.000 0.901 884 E CB 0.211 29.885 29.700 -0.043 0.000 0.967 884 E HN 0.554 nan 8.360 nan 0.000 0.435 885 G N 2.477 111.235 108.800 -0.070 0.000 2.375 885 G HA2 0.017 3.941 3.960 -0.060 0.000 0.663 885 G HA3 0.017 3.941 3.960 -0.060 0.000 0.663 885 G C -1.096 173.886 174.900 0.137 0.000 1.391 885 G CA -0.769 44.390 45.100 0.099 0.000 0.949 885 G HN 0.509 nan 8.290 nan 0.000 0.646 886 L N 1.632 122.941 121.223 0.143 0.000 2.475 886 L HA 0.515 4.819 4.340 -0.060 0.000 0.253 886 L C -0.999 175.930 176.870 0.099 0.000 1.483 886 L CA -0.464 54.440 54.840 0.107 0.000 0.869 886 L CB 1.406 43.501 42.059 0.060 0.000 1.086 886 L HN 0.566 nan 8.230 nan 0.000 0.514 887 D N -0.065 120.407 120.400 0.121 0.000 2.484 887 D HA 0.228 4.832 4.640 -0.060 0.000 0.206 887 D C -0.307 176.052 176.300 0.098 0.000 1.322 887 D CA -0.256 53.795 54.000 0.085 0.000 0.913 887 D CB 1.913 42.744 40.800 0.052 0.000 1.559 887 D HN 0.246 nan 8.370 nan 0.000 0.565 888 c N 1.761 120.435 118.600 0.123 0.000 2.937 888 c HA 0.042 4.576 4.570 -0.060 0.000 0.426 888 c C 1.943 176.179 174.090 0.244 0.000 1.321 888 c CA -0.012 56.417 56.329 0.166 0.000 2.082 888 c CB -0.131 42.432 42.510 0.089 0.000 2.834 888 c HN 0.697 nan 8.230 nan 0.000 0.593 889 E N 2.543 122.839 120.200 0.161 0.000 2.505 889 E HA -0.058 4.256 4.350 -0.060 0.000 0.197 889 E C 1.190 177.926 176.600 0.227 0.000 1.111 889 E CA 0.567 57.065 56.400 0.163 0.000 0.887 889 E CB -0.399 29.357 29.700 0.092 0.000 0.913 889 E HN 0.747 nan 8.360 nan 0.000 0.517 890 I N -3.284 117.450 120.570 0.274 0.000 3.291 890 I HA 0.040 4.174 4.170 -0.060 0.000 0.279 890 I C 1.135 177.472 176.117 0.366 0.000 1.294 890 I CA 0.436 61.867 61.300 0.218 0.000 1.428 890 I CB -0.507 37.527 38.000 0.056 0.000 1.070 890 I HN -0.108 nan 8.210 nan 0.000 0.478 891 F N 1.785 121.909 119.950 0.290 0.000 2.407 891 F HA 0.039 4.531 4.527 -0.058 0.000 0.299 891 F C 1.866 177.800 175.800 0.223 0.000 1.097 891 F CA 0.994 59.224 58.000 0.384 0.000 1.422 891 F CB -0.540 38.535 39.000 0.126 0.000 1.067 891 F HN 0.206 nan 8.300 nan 0.000 0.539 892 E N 0.178 120.569 120.200 0.317 0.000 2.370 892 E HA 0.307 4.622 4.350 -0.060 0.000 0.194 892 E C 0.450 177.118 176.600 0.114 0.000 1.057 892 E CA -0.352 56.152 56.400 0.173 0.000 1.011 892 E CB 0.087 29.861 29.700 0.124 0.000 1.132 892 E HN 0.177 nan 8.360 nan 0.000 0.450 893 A N 2.155 125.052 122.820 0.128 0.000 2.386 893 A HA 0.192 4.477 4.320 -0.060 0.000 0.248 893 A C -1.368 176.140 177.584 -0.128 0.000 1.082 893 A CA -1.092 50.938 52.037 -0.011 0.000 0.789 893 A CB 0.220 19.189 19.000 -0.052 0.000 1.025 893 A HN 0.016 nan 8.150 nan 0.000 0.490 894 P HA -0.048 nan 4.420 nan 0.000 0.221 894 P C 0.660 177.773 177.300 -0.311 0.000 1.155 894 P CA 1.001 63.999 63.100 -0.170 0.000 0.812 894 P CB 0.318 31.951 31.700 -0.112 0.000 0.801 895 E N 0.623 120.485 120.200 -0.564 0.000 2.047 895 E HA -0.086 4.228 4.350 -0.060 0.000 0.191 895 E C -0.504 175.575 176.600 -0.869 0.000 0.987 895 E CA 1.783 57.708 56.400 -0.792 0.000 0.799 895 E CB -1.878 27.183 29.700 -1.065 0.000 0.752 895 E HN 0.389 nan 8.360 nan 0.000 0.449 896 P HA -0.163 nan 4.420 nan 0.000 0.216 896 P C 1.297 178.514 177.300 -0.139 0.000 1.153 896 P CA 1.440 64.331 63.100 -0.348 0.000 0.848 896 P CB -0.027 31.728 31.700 0.092 0.000 0.787 897 M N -0.726 118.788 119.600 -0.143 0.000 2.202 897 M HA -0.093 4.351 4.480 -0.060 0.000 0.262 897 M C 1.746 178.004 176.300 -0.070 0.000 1.063 897 M CA 2.025 57.286 55.300 -0.065 0.000 1.097 897 M CB -1.159 31.417 32.600 -0.041 0.000 1.382 897 M HN -0.040 nan 8.290 nan 0.000 0.413 898 T N -0.163 114.307 114.554 -0.140 0.000 3.085 898 T HA 0.011 4.325 4.350 -0.060 0.000 0.263 898 T C 1.717 176.339 174.700 -0.130 0.000 1.127 898 T CA 0.680 62.702 62.100 -0.132 0.000 1.103 898 T CB 0.067 68.814 68.868 -0.202 0.000 0.921 898 T HN 0.244 nan 8.240 nan 0.000 0.510 899 M N 1.061 120.597 119.600 -0.107 0.000 2.248 899 M HA 0.254 4.699 4.480 -0.060 0.000 0.265 899 M C 2.742 179.036 176.300 -0.010 0.000 1.079 899 M CA 0.825 56.097 55.300 -0.048 0.000 1.150 899 M CB -1.246 31.394 32.600 0.067 0.000 1.366 899 M HN 0.312 nan 8.290 nan 0.000 0.433 900 A N 0.156 122.979 122.820 0.006 0.000 1.873 900 A HA -0.146 4.138 4.320 -0.060 0.000 0.215 900 A C 2.195 179.790 177.584 0.019 0.000 1.186 900 A CA 1.267 53.312 52.037 0.014 0.000 0.616 900 A CB -0.990 18.021 19.000 0.018 0.000 0.823 900 A HN 0.389 nan 8.150 nan 0.000 0.442 901 L N 0.046 121.284 121.223 0.025 0.000 2.042 901 L HA -0.142 4.162 4.340 -0.060 0.000 0.210 901 L C 2.528 179.429 176.870 0.051 0.000 1.076 901 L CA 2.463 57.326 54.840 0.038 0.000 0.749 901 L CB -0.380 41.721 42.059 0.069 0.000 0.893 901 L HN 0.298 nan 8.230 nan 0.000 0.432 902 S N -1.720 114.064 115.700 0.140 0.000 2.453 902 S HA -0.084 4.350 4.470 -0.060 0.000 0.231 902 S C 1.890 176.607 174.600 0.194 0.000 1.005 902 S CA 1.014 59.395 58.200 0.302 0.000 0.949 902 S CB -0.138 63.091 63.200 0.048 0.000 0.774 902 S HN 0.306 nan 8.310 nan 0.000 0.510 903 V N 1.481 121.447 119.914 0.087 0.000 2.323 903 V HA -0.086 3.998 4.120 -0.060 0.000 0.244 903 V C 2.160 178.291 176.094 0.062 0.000 1.041 903 V CA 1.212 63.553 62.300 0.069 0.000 1.025 903 V CB -0.556 31.276 31.823 0.015 0.000 0.656 903 V HN 0.329 nan 8.190 nan 0.000 0.451 904 L N 0.079 121.321 121.223 0.032 0.000 1.933 904 L HA -0.182 4.122 4.340 -0.060 0.000 0.220 904 L C 2.436 179.312 176.870 0.009 0.000 1.078 904 L CA 2.111 56.960 54.840 0.015 0.000 0.773 904 L CB -0.734 41.324 42.059 -0.003 0.000 0.890 904 L HN 0.127 nan 8.230 nan 0.000 0.434 905 V N -0.682 119.205 119.914 -0.044 0.000 2.277 905 V HA -0.438 3.647 4.120 -0.060 0.000 0.253 905 V C 2.468 178.570 176.094 0.014 0.000 1.067 905 V CA 2.506 64.759 62.300 -0.079 0.000 1.047 905 V CB -1.182 30.451 31.823 -0.318 0.000 0.649 905 V HN 0.629 nan 8.190 nan 0.000 0.447 906 T N -0.370 114.233 114.554 0.082 0.000 2.812 906 T HA -0.014 4.300 4.350 -0.060 0.000 0.264 906 T C 1.779 176.535 174.700 0.092 0.000 1.042 906 T CA 1.501 63.667 62.100 0.112 0.000 1.140 906 T CB -0.223 68.756 68.868 0.185 0.000 0.870 906 T HN 0.367 nan 8.240 nan 0.000 0.445 907 I N 1.000 121.627 120.570 0.096 0.000 2.264 907 I HA -0.148 3.986 4.170 -0.060 0.000 0.248 907 I C 2.701 178.879 176.117 0.101 0.000 1.111 907 I CA 1.053 62.415 61.300 0.104 0.000 1.382 907 I CB -0.342 37.732 38.000 0.123 0.000 1.060 907 I HN 0.142 nan 8.210 nan 0.000 0.418 908 E N 0.589 120.840 120.200 0.086 0.000 2.058 908 E HA -0.206 4.109 4.350 -0.060 0.000 0.194 908 E C 2.199 178.908 176.600 0.181 0.000 0.997 908 E CA 1.335 57.811 56.400 0.127 0.000 0.801 908 E CB -0.240 29.500 29.700 0.067 0.000 0.746 908 E HN 0.381 nan 8.360 nan 0.000 0.450 909 M N -0.321 119.339 119.600 0.100 0.000 2.296 909 M HA -0.114 4.330 4.480 -0.060 0.000 0.265 909 M C 2.446 178.775 176.300 0.048 0.000 1.064 909 M CA 0.720 56.055 55.300 0.058 0.000 1.109 909 M CB -1.266 31.347 32.600 0.022 0.000 1.396 909 M HN 0.156 nan 8.290 nan 0.000 0.430 910 C N 0.397 119.737 119.300 0.066 0.000 2.476 910 C HA -0.080 4.344 4.460 -0.060 0.000 0.278 910 C C 2.569 177.597 174.990 0.063 0.000 1.274 910 C CA 0.939 59.989 59.018 0.053 0.000 1.713 910 C CB -1.261 26.513 27.740 0.056 0.000 2.039 910 C HN 0.572 nan 8.230 nan 0.000 0.484 911 N N 0.927 119.698 118.700 0.118 0.000 2.381 911 N HA -0.037 4.668 4.740 -0.060 0.000 0.182 911 N C 1.619 177.220 175.510 0.153 0.000 1.025 911 N CA 1.248 54.395 53.050 0.161 0.000 0.888 911 N CB -0.186 38.430 38.487 0.215 0.000 0.965 911 N HN 0.471 nan 8.380 nan 0.000 0.438 912 A N 0.295 123.161 122.820 0.077 0.000 1.908 912 A HA -0.100 4.184 4.320 -0.060 0.000 0.218 912 A C 2.124 179.610 177.584 -0.163 0.000 1.181 912 A CA 1.104 52.983 52.037 -0.264 0.000 0.627 912 A CB -0.725 18.117 19.000 -0.263 0.000 0.818 912 A HN 0.338 nan 8.150 nan 0.000 0.445 913 L N -0.238 120.944 121.223 -0.067 0.000 2.141 913 L HA -0.141 4.163 4.340 -0.060 0.000 0.209 913 L C 1.795 178.641 176.870 -0.039 0.000 1.094 913 L CA 0.971 55.779 54.840 -0.054 0.000 0.763 913 L CB -0.636 41.404 42.059 -0.030 0.000 0.908 913 L HN 0.304 nan 8.230 nan 0.000 0.437 914 N N -0.631 118.066 118.700 -0.005 0.000 2.573 914 N HA -0.085 4.619 4.740 -0.060 0.000 0.187 914 N C 1.729 177.261 175.510 0.036 0.000 1.107 914 N CA 0.773 53.836 53.050 0.021 0.000 0.918 914 N CB 0.158 38.677 38.487 0.053 0.000 0.966 914 N HN 0.231 nan 8.380 nan 0.000 0.448 915 S N 0.287 115.989 115.700 0.003 0.000 2.483 915 S HA 0.242 4.676 4.470 -0.060 0.000 0.221 915 S C 1.875 176.467 174.600 -0.013 0.000 1.030 915 S CA -0.403 57.801 58.200 0.007 0.000 0.925 915 S CB 0.438 63.606 63.200 -0.052 0.000 0.795 915 S HN 0.222 nan 8.310 nan 0.000 0.511 916 L N 1.890 123.089 121.223 -0.039 0.000 2.211 916 L HA -0.140 4.165 4.340 -0.060 0.000 0.216 916 L C 0.955 177.813 176.870 -0.019 0.000 1.092 916 L CA 0.983 55.800 54.840 -0.037 0.000 0.767 916 L CB -0.162 41.863 42.059 -0.058 0.000 0.894 916 L HN 0.381 nan 8.230 nan 0.000 0.437 917 S N -3.248 112.448 115.700 -0.007 0.000 2.570 917 S HA 0.171 4.605 4.470 -0.060 0.000 0.270 917 S C 0.267 174.886 174.600 0.031 0.000 1.149 917 S CA -0.712 57.493 58.200 0.009 0.000 0.837 917 S CB 1.893 65.092 63.200 -0.001 0.000 1.124 917 S HN 0.155 nan 8.310 nan 0.000 0.465 918 E N 0.889 121.115 120.200 0.044 0.000 2.086 918 E HA 0.077 4.392 4.350 -0.060 0.000 0.190 918 E C 0.798 177.442 176.600 0.073 0.000 0.975 918 E CA 0.730 57.170 56.400 0.067 0.000 0.813 918 E CB 0.034 29.776 29.700 0.070 0.000 0.768 918 E HN 0.699 nan 8.360 nan 0.000 0.457 919 N N -0.199 118.541 118.700 0.066 0.000 2.143 919 N HA 0.043 4.748 4.740 -0.060 0.000 0.229 919 N C -0.789 174.771 175.510 0.083 0.000 1.294 919 N CA -0.050 53.049 53.050 0.082 0.000 0.883 919 N CB 0.953 39.489 38.487 0.082 0.000 1.148 919 N HN 0.077 nan 8.380 nan 0.000 0.511 920 Q N 1.236 121.069 119.800 0.054 0.000 2.279 920 Q HA 0.169 4.473 4.340 -0.060 0.000 0.256 920 Q C 0.049 176.060 176.000 0.018 0.000 0.937 920 Q CA 0.038 55.865 55.803 0.041 0.000 0.933 920 Q CB 2.053 30.797 28.738 0.010 0.000 1.189 920 Q HN 0.004 nan 8.270 nan 0.000 0.417 921 S N 1.897 117.605 115.700 0.013 0.000 2.559 921 S HA 0.002 4.436 4.470 -0.060 0.000 0.282 921 S C 1.451 176.007 174.600 -0.072 0.000 1.336 921 S CA -0.244 57.932 58.200 -0.039 0.000 1.037 921 S CB 0.353 63.488 63.200 -0.108 0.000 0.853 921 S HN 0.645 nan 8.310 nan 0.000 0.523 922 L N 3.924 125.098 121.223 -0.082 0.000 2.362 922 L HA -0.110 4.194 4.340 -0.060 0.000 0.219 922 L C 2.439 179.220 176.870 -0.148 0.000 1.134 922 L CA 0.710 55.480 54.840 -0.117 0.000 0.807 922 L CB -0.284 41.721 42.059 -0.090 0.000 0.927 922 L HN 0.733 nan 8.230 nan 0.000 0.447 923 M N -0.866 118.662 119.600 -0.119 0.000 2.099 923 M HA -0.220 4.225 4.480 -0.060 0.000 0.262 923 M C 2.377 178.607 176.300 -0.115 0.000 1.067 923 M CA 1.770 57.002 55.300 -0.113 0.000 1.124 923 M CB -0.621 31.907 32.600 -0.120 0.000 1.353 923 M HN 0.198 nan 8.290 nan 0.000 0.410 924 R N -0.788 119.649 120.500 -0.104 0.000 2.112 924 R HA 0.058 4.362 4.340 -0.060 0.000 0.216 924 R C 0.338 176.574 176.300 -0.107 0.000 1.080 924 R CA 0.453 56.507 56.100 -0.078 0.000 0.996 924 R CB 0.279 30.558 30.300 -0.035 0.000 0.902 924 R HN 0.095 nan 8.270 nan 0.000 0.449 925 M N 2.010 121.532 119.600 -0.130 0.000 2.385 925 M HA 0.334 4.778 4.480 -0.060 0.000 0.346 925 M C -2.451 173.683 176.300 -0.278 0.000 1.180 925 M CA -2.779 52.423 55.300 -0.163 0.000 1.154 925 M CB 1.622 34.161 32.600 -0.102 0.000 1.251 925 M HN -0.224 nan 8.290 nan 0.000 0.430 926 P HA 0.155 nan 4.420 nan 0.000 0.268 926 P C -2.289 174.573 177.300 -0.729 0.000 1.205 926 P CA -0.934 61.631 63.100 -0.892 0.000 0.771 926 P CB 0.171 30.957 31.700 -1.523 0.000 0.858 927 P HA -0.080 nan 4.420 nan 0.000 0.225 927 P C 0.215 177.472 177.300 -0.071 0.000 1.148 927 P CA 0.990 63.966 63.100 -0.205 0.000 0.779 927 P CB -0.286 31.388 31.700 -0.043 0.000 0.780 928 W N -2.466 118.832 121.300 -0.003 0.000 3.325 928 W HA 0.361 4.983 4.660 -0.063 0.000 0.370 928 W C 0.635 177.164 176.519 0.017 0.000 1.169 928 W CA -0.290 57.055 57.345 0.001 0.000 1.874 928 W CB -1.371 28.086 29.460 -0.005 0.000 1.076 928 W HN -0.349 nan 8.180 nan 0.000 0.684 929 V N 1.452 121.318 119.914 -0.080 0.000 2.346 929 V HA -0.177 3.907 4.120 -0.060 0.000 0.244 929 V C 1.230 177.369 176.094 0.075 0.000 1.037 929 V CA 1.367 63.664 62.300 -0.005 0.000 1.029 929 V CB -0.770 30.997 31.823 -0.094 0.000 0.663 929 V HN 0.224 nan 8.190 nan 0.000 0.454 930 N N 1.591 120.325 118.700 0.056 0.000 2.739 930 N HA 0.079 4.784 4.740 -0.060 0.000 0.266 930 N C 0.819 176.422 175.510 0.155 0.000 1.168 930 N CA -0.047 53.067 53.050 0.107 0.000 1.055 930 N CB 0.159 38.679 38.487 0.056 0.000 1.393 930 N HN 0.131 nan 8.380 nan 0.000 0.514 931 I N 0.962 121.671 120.570 0.233 0.000 2.657 931 I HA -0.200 3.934 4.170 -0.060 0.000 0.261 931 I C 0.828 176.993 176.117 0.080 0.000 1.212 931 I CA 0.783 62.191 61.300 0.180 0.000 1.453 931 I CB -0.529 37.590 38.000 0.198 0.000 1.092 931 I HN 0.544 nan 8.210 nan 0.000 0.452 932 W N -0.687 120.560 121.300 -0.087 0.000 3.077 932 W HA 0.077 4.700 4.660 -0.062 0.000 0.266 932 W C 2.072 178.461 176.519 -0.217 0.000 1.300 932 W CA -0.238 56.990 57.345 -0.196 0.000 1.586 932 W CB -0.596 28.641 29.460 -0.371 0.000 1.103 932 W HN 0.003 nan 8.180 nan 0.000 0.652 933 L N 0.029 121.265 121.223 0.023 0.000 2.162 933 L HA 0.056 4.360 4.340 -0.060 0.000 0.205 933 L C 1.939 178.772 176.870 -0.062 0.000 1.086 933 L CA 1.805 56.614 54.840 -0.052 0.000 0.778 933 L CB -0.803 41.224 42.059 -0.053 0.000 0.928 933 L HN -0.082 nan 8.230 nan 0.000 0.446 934 L N -0.628 120.573 121.223 -0.036 0.000 2.017 934 L HA -0.090 4.214 4.340 -0.060 0.000 0.208 934 L C 2.531 179.346 176.870 -0.093 0.000 1.073 934 L CA 1.318 56.133 54.840 -0.043 0.000 0.745 934 L CB -1.582 40.475 42.059 -0.003 0.000 0.894 934 L HN 0.434 nan 8.230 nan 0.000 0.432 935 G N -0.021 108.690 108.800 -0.148 0.000 2.450 935 G HA2 -0.288 3.636 3.960 -0.060 0.000 0.220 935 G HA3 -0.288 3.636 3.960 -0.060 0.000 0.220 935 G C 1.809 176.604 174.900 -0.175 0.000 1.130 935 G CA 1.153 46.125 45.100 -0.214 0.000 0.760 935 G HN 0.526 nan 8.290 nan 0.000 0.557 936 S N 0.543 116.155 115.700 -0.145 0.000 2.362 936 S HA 0.035 4.469 4.470 -0.060 0.000 0.221 936 S C 2.309 176.848 174.600 -0.102 0.000 1.032 936 S CA 0.786 58.912 58.200 -0.124 0.000 0.973 936 S CB -0.415 62.712 63.200 -0.123 0.000 0.849 936 S HN 0.294 nan 8.310 nan 0.000 0.465 937 I N 1.658 122.173 120.570 -0.092 0.000 2.151 937 I HA -0.273 3.861 4.170 -0.060 0.000 0.243 937 I C 2.792 178.852 176.117 -0.095 0.000 1.080 937 I CA 1.247 62.500 61.300 -0.079 0.000 1.339 937 I CB -0.838 37.124 38.000 -0.063 0.000 1.039 937 I HN 0.408 nan 8.210 nan 0.000 0.409 938 C N 0.253 119.493 119.300 -0.100 0.000 2.385 938 C HA -0.223 4.201 4.460 -0.060 0.000 0.275 938 C C 2.721 177.647 174.990 -0.108 0.000 1.207 938 C CA 1.136 60.090 59.018 -0.108 0.000 1.760 938 C CB -0.960 26.717 27.740 -0.105 0.000 2.051 938 C HN 0.490 nan 8.230 nan 0.000 0.467 939 L N 0.196 121.362 121.223 -0.095 0.000 2.395 939 L HA 0.033 4.337 4.340 -0.060 0.000 0.218 939 L C 2.404 179.242 176.870 -0.053 0.000 1.130 939 L CA 1.505 56.303 54.840 -0.070 0.000 0.826 939 L CB -0.454 41.563 42.059 -0.071 0.000 0.941 939 L HN 0.219 nan 8.230 nan 0.000 0.451 940 S N -1.126 114.532 115.700 -0.070 0.000 2.377 940 S HA -0.058 4.376 4.470 -0.060 0.000 0.223 940 S C 1.856 176.430 174.600 -0.043 0.000 1.030 940 S CA 1.093 59.263 58.200 -0.050 0.000 0.970 940 S CB -0.088 63.077 63.200 -0.058 0.000 0.830 940 S HN 0.317 nan 8.310 nan 0.000 0.473 941 M N 1.642 121.158 119.600 -0.141 0.000 2.156 941 M HA 0.040 4.485 4.480 -0.060 0.000 0.264 941 M C 2.258 178.288 176.300 -0.450 0.000 1.067 941 M CA 1.126 56.236 55.300 -0.318 0.000 1.131 941 M CB -1.734 30.588 32.600 -0.462 0.000 1.368 941 M HN 0.418 nan 8.290 nan 0.000 0.416 942 S N -0.225 115.315 115.700 -0.266 0.000 2.653 942 S HA 0.024 4.458 4.470 -0.060 0.000 0.233 942 S C 1.601 176.240 174.600 0.064 0.000 0.970 942 S CA 0.445 58.583 58.200 -0.104 0.000 0.947 942 S CB -0.518 62.664 63.200 -0.031 0.000 0.771 942 S HN 0.482 nan 8.310 nan 0.000 0.538 943 L N -0.681 120.608 121.223 0.110 0.000 2.467 943 L HA 0.254 4.559 4.340 -0.060 0.000 0.213 943 L C 2.575 179.643 176.870 0.330 0.000 1.053 943 L CA 0.484 55.498 54.840 0.291 0.000 0.847 943 L CB -0.537 41.785 42.059 0.437 0.000 1.075 943 L HN 0.431 nan 8.230 nan 0.000 0.479 944 H N -0.093 119.072 119.070 0.158 0.000 2.422 944 H HA -0.170 4.349 4.556 -0.061 0.000 0.298 944 H C 2.015 177.537 175.328 0.324 0.000 1.098 944 H CA 1.397 57.544 56.048 0.165 0.000 1.315 944 H CB 0.351 30.204 29.762 0.151 0.000 1.382 944 H HN 0.167 nan 8.280 nan 0.000 0.523 945 F N 0.042 120.063 119.950 0.118 0.000 2.187 945 F HA -0.091 4.398 4.527 -0.062 0.000 0.295 945 F C 2.369 178.208 175.800 0.065 0.000 1.091 945 F CA 0.264 58.296 58.000 0.053 0.000 1.308 945 F CB -1.038 37.994 39.000 0.055 0.000 1.030 945 F HN 0.167 nan 8.300 nan 0.000 0.487 946 L N 1.162 122.552 121.223 0.278 0.000 2.083 946 L HA -0.117 4.187 4.340 -0.060 0.000 0.209 946 L C 1.961 178.887 176.870 0.093 0.000 1.083 946 L CA 1.484 56.431 54.840 0.177 0.000 0.752 946 L CB -0.778 41.379 42.059 0.163 0.000 0.899 946 L HN 0.222 nan 8.230 nan 0.000 0.433 947 I N -3.937 116.637 120.570 0.006 0.000 3.686 947 I HA -0.014 4.120 4.170 -0.060 0.000 0.308 947 I C 1.192 177.280 176.117 -0.047 0.000 1.254 947 I CA 0.599 61.835 61.300 -0.107 0.000 1.175 947 I CB -0.235 37.423 38.000 -0.570 0.000 1.009 947 I HN 0.177 nan 8.210 nan 0.000 0.459 948 L N -0.995 120.247 121.223 0.033 0.000 2.766 948 L HA 0.184 4.489 4.340 -0.060 0.000 0.241 948 L C 1.602 178.552 176.870 0.133 0.000 1.080 948 L CA 0.212 55.079 54.840 0.044 0.000 0.909 948 L CB 0.395 42.460 42.059 0.011 0.000 1.277 948 L HN 0.305 nan 8.230 nan 0.000 0.510 949 Y N -0.668 119.631 120.300 -0.001 0.000 2.432 949 Y HA 0.312 4.826 4.550 -0.060 0.000 0.252 949 Y C 0.444 176.349 175.900 0.009 0.000 1.097 949 Y CA -0.158 57.940 58.100 -0.003 0.000 1.250 949 Y CB 1.134 39.587 38.460 -0.012 0.000 1.245 949 Y HN -0.275 nan 8.280 nan 0.000 0.522 950 V N 3.348 123.211 119.914 -0.086 0.000 2.370 950 V HA -0.025 4.059 4.120 -0.060 0.000 0.257 950 V C 0.562 176.595 176.094 -0.102 0.000 1.064 950 V CA 0.094 62.306 62.300 -0.146 0.000 0.975 950 V CB 0.487 32.282 31.823 -0.047 0.000 1.067 950 V HN 0.389 nan 8.190 nan 0.000 0.485 951 D N 6.145 126.454 120.400 -0.152 0.000 2.158 951 D HA -0.136 4.469 4.640 -0.060 0.000 0.197 951 D C -0.388 175.887 176.300 -0.042 0.000 0.995 951 D CA 1.583 55.531 54.000 -0.087 0.000 0.846 951 D CB -0.779 39.962 40.800 -0.098 0.000 0.941 951 D HN 0.468 nan 8.370 nan 0.000 0.456 952 P HA -0.118 nan 4.420 nan 0.000 0.216 952 P C 1.823 179.108 177.300 -0.024 0.000 1.150 952 P CA 0.874 63.953 63.100 -0.034 0.000 0.843 952 P CB -0.081 31.598 31.700 -0.035 0.000 0.787 953 L N -0.193 121.033 121.223 0.005 0.000 2.007 953 L HA -0.028 4.276 4.340 -0.060 0.000 0.205 953 L C -0.308 176.669 176.870 0.179 0.000 1.073 953 L CA 1.717 56.599 54.840 0.069 0.000 0.744 953 L CB -2.666 39.468 42.059 0.124 0.000 0.898 953 L HN 0.025 nan 8.230 nan 0.000 0.435 954 P HA -0.169 nan 4.420 nan 0.000 0.222 954 P C 1.652 179.002 177.300 0.084 0.000 1.147 954 P CA 1.652 64.826 63.100 0.124 0.000 0.790 954 P CB -0.008 31.724 31.700 0.053 0.000 0.780 955 M N -1.463 118.160 119.600 0.039 0.000 2.349 955 M HA -0.011 4.433 4.480 -0.060 0.000 0.266 955 M C 2.133 178.429 176.300 -0.006 0.000 1.076 955 M CA 1.414 56.720 55.300 0.010 0.000 1.126 955 M CB -0.406 32.188 32.600 -0.010 0.000 1.392 955 M HN -0.133 nan 8.290 nan 0.000 0.440 956 I N -1.381 119.165 120.570 -0.039 0.000 2.585 956 I HA -0.109 4.025 4.170 -0.060 0.000 0.254 956 I C 1.544 177.567 176.117 -0.157 0.000 1.129 956 I CA 0.927 62.148 61.300 -0.132 0.000 1.455 956 I CB -0.176 37.679 38.000 -0.242 0.000 1.111 956 I HN 0.122 nan 8.210 nan 0.000 0.433 957 F N 1.408 121.330 119.950 -0.047 0.000 2.699 957 F HA -0.031 4.462 4.527 -0.056 0.000 0.298 957 F C 0.772 176.559 175.800 -0.022 0.000 1.154 957 F CA 0.398 58.374 58.000 -0.042 0.000 1.457 957 F CB -0.148 38.800 39.000 -0.087 0.000 1.106 957 F HN -0.120 nan 8.300 nan 0.000 0.585 958 K N 0.992 121.466 120.400 0.124 0.000 3.372 958 K HA -0.159 4.125 4.320 -0.060 0.000 0.272 958 K C -1.269 175.362 176.600 0.051 0.000 1.037 958 K CA 0.313 56.641 56.287 0.068 0.000 0.777 958 K CB -1.455 31.079 32.500 0.057 0.000 1.347 958 K HN 0.257 nan 8.250 nan 0.000 0.460 959 L N -0.824 120.426 121.223 0.045 0.000 2.322 959 L HA 0.736 5.040 4.340 -0.060 0.000 0.252 959 L C -0.568 176.282 176.870 -0.035 0.000 1.055 959 L CA -1.410 53.423 54.840 -0.011 0.000 0.849 959 L CB 2.043 44.097 42.059 -0.008 0.000 1.446 959 L HN -0.149 nan 8.230 nan 0.000 0.416 960 K N 0.725 121.077 120.400 -0.080 0.000 2.561 960 K HA 0.641 4.925 4.320 -0.060 0.000 0.254 960 K C -1.081 175.456 176.600 -0.105 0.000 0.942 960 K CA -0.383 55.864 56.287 -0.068 0.000 0.818 960 K CB 2.033 34.497 32.500 -0.060 0.000 1.306 960 K HN 0.673 nan 8.250 nan 0.000 0.435 961 A N 4.223 126.999 122.820 -0.073 0.000 2.584 961 A HA 0.150 4.435 4.320 -0.060 0.000 0.239 961 A C -0.012 177.473 177.584 -0.166 0.000 1.043 961 A CA 0.352 52.322 52.037 -0.111 0.000 0.756 961 A CB -0.376 18.589 19.000 -0.058 0.000 0.963 961 A HN 0.610 nan 8.150 nan 0.000 0.511 962 L N 1.773 122.814 121.223 -0.303 0.000 2.418 962 L HA 0.218 4.522 4.340 -0.060 0.000 0.265 962 L C 0.735 177.471 176.870 -0.222 0.000 1.143 962 L CA -0.636 53.989 54.840 -0.358 0.000 0.809 962 L CB 0.565 42.208 42.059 -0.693 0.000 1.124 962 L HN 0.824 nan 8.230 nan 0.000 0.456 963 D N 0.457 120.793 120.400 -0.106 0.000 2.371 963 D HA 0.038 4.643 4.640 -0.060 0.000 0.242 963 D C 0.657 177.006 176.300 0.081 0.000 1.218 963 D CA -0.210 53.791 54.000 0.002 0.000 0.945 963 D CB 0.962 41.779 40.800 0.029 0.000 1.137 963 D HN 0.265 nan 8.370 nan 0.000 0.464 964 L N 1.174 122.476 121.223 0.132 0.000 2.456 964 L HA -0.009 4.295 4.340 -0.060 0.000 0.224 964 L C 1.873 178.850 176.870 0.177 0.000 1.148 964 L CA 1.461 56.418 54.840 0.194 0.000 0.825 964 L CB -0.353 41.773 42.059 0.112 0.000 0.937 964 L HN 0.491 nan 8.230 nan 0.000 0.450 965 T N -2.353 112.284 114.554 0.138 0.000 3.057 965 T HA -0.015 4.300 4.350 -0.060 0.000 0.254 965 T C 1.495 176.302 174.700 0.178 0.000 1.094 965 T CA 0.401 62.591 62.100 0.150 0.000 1.088 965 T CB 0.107 69.055 68.868 0.135 0.000 0.934 965 T HN 0.350 nan 8.240 nan 0.000 0.497 966 Q N -0.875 119.000 119.800 0.126 0.000 2.360 966 Q HA 0.171 4.476 4.340 -0.060 0.000 0.202 966 Q C 0.971 176.930 176.000 -0.069 0.000 0.915 966 Q CA 0.147 55.988 55.803 0.062 0.000 0.943 966 Q CB 0.155 28.887 28.738 -0.010 0.000 1.064 966 Q HN 0.635 nan 8.270 nan 0.000 0.511 967 W N -1.077 120.256 121.300 0.056 0.000 2.907 967 W HA 0.110 4.727 4.660 -0.072 0.000 0.271 967 W C 1.069 177.608 176.519 0.033 0.000 1.253 967 W CA -0.296 57.075 57.345 0.042 0.000 1.501 967 W CB 0.677 30.151 29.460 0.024 0.000 1.047 967 W HN 0.130 nan 8.180 nan 0.000 0.610 968 L N -0.438 120.945 121.223 0.266 0.000 2.249 968 L HA -0.008 4.296 4.340 -0.060 0.000 0.207 968 L C 2.270 179.181 176.870 0.069 0.000 1.090 968 L CA 1.318 56.252 54.840 0.156 0.000 0.802 968 L CB -1.007 41.124 42.059 0.119 0.000 0.947 968 L HN -0.036 nan 8.230 nan 0.000 0.453 969 M N -1.198 118.403 119.600 0.001 0.000 2.159 969 M HA -0.135 4.309 4.480 -0.060 0.000 0.263 969 M C 2.094 178.300 176.300 -0.156 0.000 1.063 969 M CA 1.560 56.740 55.300 -0.200 0.000 1.110 969 M CB -0.282 32.009 32.600 -0.514 0.000 1.374 969 M HN 0.017 nan 8.290 nan 0.000 0.411 970 V N 0.549 120.447 119.914 -0.028 0.000 2.231 970 V HA -0.321 3.764 4.120 -0.060 0.000 0.248 970 V C 2.300 178.444 176.094 0.083 0.000 1.054 970 V CA 2.191 64.524 62.300 0.056 0.000 1.015 970 V CB -0.962 30.997 31.823 0.228 0.000 0.638 970 V HN 0.558 nan 8.190 nan 0.000 0.444 971 L N -0.827 120.473 121.223 0.127 0.000 2.456 971 L HA -0.116 4.188 4.340 -0.060 0.000 0.224 971 L C 2.390 179.292 176.870 0.053 0.000 1.148 971 L CA 1.198 56.098 54.840 0.100 0.000 0.825 971 L CB -0.669 41.452 42.059 0.104 0.000 0.937 971 L HN 0.350 nan 8.230 nan 0.000 0.450 972 K N 0.275 120.685 120.400 0.016 0.000 2.137 972 K HA 0.000 4.285 4.320 -0.060 0.000 0.202 972 K C 1.945 178.539 176.600 -0.010 0.000 1.052 972 K CA 0.933 57.214 56.287 -0.009 0.000 0.961 972 K CB 0.278 32.746 32.500 -0.053 0.000 0.741 972 K HN 0.225 nan 8.250 nan 0.000 0.452 973 I N 0.135 120.684 120.570 -0.035 0.000 3.783 973 I HA -0.063 4.072 4.170 -0.060 0.000 0.310 973 I C 1.213 177.370 176.117 0.067 0.000 1.274 973 I CA 0.353 61.636 61.300 -0.028 0.000 1.294 973 I CB 0.457 38.371 38.000 -0.143 0.000 1.051 973 I HN 0.001 nan 8.210 nan 0.000 0.435 974 S N 0.688 116.439 115.700 0.086 0.000 2.370 974 S HA -0.006 4.428 4.470 -0.060 0.000 0.214 974 S C 1.729 176.415 174.600 0.144 0.000 1.033 974 S CA 0.544 58.826 58.200 0.137 0.000 0.941 974 S CB -0.371 62.900 63.200 0.118 0.000 0.886 974 S HN 0.414 nan 8.310 nan 0.000 0.521 975 L N 3.362 124.642 121.223 0.094 0.000 2.064 975 L HA -0.110 4.194 4.340 -0.060 0.000 0.216 975 L C -1.130 175.761 176.870 0.035 0.000 1.077 975 L CA 1.537 56.414 54.840 0.061 0.000 0.766 975 L CB -1.188 40.899 42.059 0.047 0.000 0.890 975 L HN 0.232 nan 8.230 nan 0.000 0.435 976 P HA -0.188 nan 4.420 nan 0.000 0.225 976 P C 1.680 178.882 177.300 -0.164 0.000 1.141 976 P CA 1.169 64.267 63.100 -0.003 0.000 0.774 976 P CB -0.209 31.544 31.700 0.089 0.000 0.760 977 V N -0.093 119.709 119.914 -0.185 0.000 2.488 977 V HA -0.145 3.939 4.120 -0.060 0.000 0.246 977 V C 2.268 178.250 176.094 -0.187 0.000 1.046 977 V CA 1.037 63.123 62.300 -0.357 0.000 1.053 977 V CB -0.792 30.924 31.823 -0.179 0.000 0.679 977 V HN -0.053 nan 8.190 nan 0.000 0.458 978 I N 0.843 121.362 120.570 -0.086 0.000 2.657 978 I HA -0.152 3.982 4.170 -0.060 0.000 0.261 978 I C 2.274 178.352 176.117 -0.065 0.000 1.212 978 I CA 1.427 62.695 61.300 -0.053 0.000 1.453 978 I CB -0.779 37.207 38.000 -0.023 0.000 1.092 978 I HN 0.476 nan 8.210 nan 0.000 0.452 979 G N 0.656 109.404 108.800 -0.088 0.000 2.459 979 G HA2 -0.133 3.792 3.960 -0.060 0.000 0.213 979 G HA3 -0.133 3.792 3.960 -0.060 0.000 0.213 979 G C 1.543 176.388 174.900 -0.092 0.000 1.155 979 G CA -0.034 45.022 45.100 -0.074 0.000 0.811 979 G HN 0.246 nan 8.290 nan 0.000 0.534 980 L N 1.050 122.174 121.223 -0.165 0.000 2.083 980 L HA 0.056 4.360 4.340 -0.060 0.000 0.209 980 L C 1.938 178.736 176.870 -0.120 0.000 1.083 980 L CA 2.195 56.931 54.840 -0.173 0.000 0.752 980 L CB -0.627 41.239 42.059 -0.321 0.000 0.899 980 L HN 0.185 nan 8.230 nan 0.000 0.433 981 D N -0.799 119.533 120.400 -0.113 0.000 2.078 981 D HA -0.177 4.427 4.640 -0.060 0.000 0.193 981 D C 2.040 178.331 176.300 -0.016 0.000 0.990 981 D CA 1.371 55.330 54.000 -0.067 0.000 0.827 981 D CB 0.083 40.856 40.800 -0.045 0.000 0.975 981 D HN 0.339 nan 8.370 nan 0.000 0.451 982 E N 0.222 120.412 120.200 -0.015 0.000 2.160 982 E HA -0.168 4.146 4.350 -0.060 0.000 0.195 982 E C 2.400 179.034 176.600 0.056 0.000 0.991 982 E CA 0.524 56.929 56.400 0.008 0.000 0.810 982 E CB -0.270 29.413 29.700 -0.029 0.000 0.742 982 E HN 0.498 nan 8.360 nan 0.000 0.466 983 I N 0.728 121.326 120.570 0.047 0.000 2.226 983 I HA -0.280 3.854 4.170 -0.060 0.000 0.245 983 I C 2.380 178.589 176.117 0.153 0.000 1.100 983 I CA 0.960 62.315 61.300 0.091 0.000 1.374 983 I CB -0.277 37.759 38.000 0.060 0.000 1.057 983 I HN 0.055 nan 8.210 nan 0.000 0.413 984 L N 0.212 121.525 121.223 0.149 0.000 2.141 984 L HA -0.170 4.134 4.340 -0.060 0.000 0.209 984 L C 2.511 179.557 176.870 0.293 0.000 1.094 984 L CA 1.243 56.253 54.840 0.283 0.000 0.763 984 L CB -0.536 41.612 42.059 0.149 0.000 0.908 984 L HN 0.144 nan 8.230 nan 0.000 0.437 985 K N -0.471 120.044 120.400 0.191 0.000 2.025 985 K HA -0.142 4.142 4.320 -0.060 0.000 0.207 985 K C 1.938 178.677 176.600 0.232 0.000 1.049 985 K CA 1.309 57.707 56.287 0.185 0.000 0.933 985 K CB -0.175 32.407 32.500 0.136 0.000 0.714 985 K HN 0.073 nan 8.250 nan 0.000 0.438 986 F N 1.216 121.189 119.950 0.038 0.000 2.748 986 F HA 0.077 4.568 4.527 -0.060 0.000 0.299 986 F C 1.592 177.397 175.800 0.009 0.000 1.154 986 F CA 0.227 58.239 58.000 0.020 0.000 1.446 986 F CB 0.044 39.052 39.000 0.014 0.000 1.112 986 F HN -0.044 nan 8.300 nan 0.000 0.584 987 I N -1.081 119.527 120.570 0.064 0.000 2.385 987 I HA -0.117 4.017 4.170 -0.060 0.000 0.244 987 I C 2.477 178.469 176.117 -0.208 0.000 1.089 987 I CA 0.979 62.227 61.300 -0.087 0.000 1.410 987 I CB -0.751 37.195 38.000 -0.089 0.000 1.117 987 I HN -0.015 nan 8.210 nan 0.000 0.429 988 A N 0.440 123.131 122.820 -0.215 0.000 2.178 988 A HA -0.190 4.094 4.320 -0.060 0.000 0.218 988 A C 2.322 179.838 177.584 -0.113 0.000 1.157 988 A CA 1.328 53.222 52.037 -0.238 0.000 0.689 988 A CB -0.648 18.344 19.000 -0.013 0.000 0.787 988 A HN 0.330 nan 8.150 nan 0.000 0.465 989 R N -1.219 119.220 120.500 -0.102 0.000 2.173 989 R HA 0.054 4.359 4.340 -0.060 0.000 0.208 989 R C 0.481 176.651 176.300 -0.218 0.000 1.035 989 R CA 0.958 56.983 56.100 -0.126 0.000 1.004 989 R CB 0.150 30.388 30.300 -0.103 0.000 0.917 989 R HN 0.485 nan 8.270 nan 0.000 0.462 990 N N -1.944 116.612 118.700 -0.239 0.000 2.082 990 N HA 0.020 4.724 4.740 -0.060 0.000 0.228 990 N C -0.342 175.140 175.510 -0.047 0.000 1.341 990 N CA 0.178 53.095 53.050 -0.222 0.000 0.873 990 N CB 0.877 39.129 38.487 -0.392 0.000 1.137 990 N HN 0.125 nan 8.380 nan 0.000 0.505 991 Y N -0.080 120.080 120.300 -0.233 0.000 2.610 991 Y HA 0.412 4.927 4.550 -0.058 0.000 0.254 991 Y C 0.618 176.392 175.900 -0.210 0.000 1.110 991 Y CA 0.086 58.067 58.100 -0.199 0.000 1.238 991 Y CB 1.245 39.592 38.460 -0.189 0.000 1.322 991 Y HN -0.142 nan 8.280 nan 0.000 0.547 992 L N 1.567 122.698 121.223 -0.154 0.000 3.100 992 L HA 0.335 4.639 4.340 -0.060 0.000 0.259 992 L C -0.872 175.922 176.870 -0.126 0.000 1.316 992 L CA 0.101 54.841 54.840 -0.167 0.000 0.992 992 L CB 0.238 42.146 42.059 -0.253 0.000 1.390 992 L HN -0.029 nan 8.230 nan 0.000 0.550 993 E N 0.392 120.509 120.200 -0.138 0.000 2.263 993 E HA 0.797 5.112 4.350 -0.060 0.000 0.268 993 E C -0.293 176.237 176.600 -0.117 0.000 0.884 993 E CA -0.335 55.999 56.400 -0.110 0.000 0.766 993 E CB 2.487 32.122 29.700 -0.108 0.000 1.196 993 E HN 0.298 nan 8.360 nan 0.000 0.416 994 G N 0.000 108.750 108.800 -0.083 0.000 5.446 994 G HA2 0.000 3.924 3.960 -0.060 0.000 0.244 994 G HA3 0.000 3.924 3.960 -0.060 0.000 0.244 994 G CA 0.000 45.053 45.100 -0.078 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925