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 3ar4_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 0.000 176.257 176.300 -0.071 0.000 1.140 1 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 1 M CB 0.000 32.473 32.600 -0.211 0.000 1.302 2 E N 1.057 121.224 120.200 -0.055 0.000 2.160 2 E HA -0.045 4.305 4.350 0.001 0.000 0.195 2 E C 1.581 178.189 176.600 0.015 0.000 0.991 2 E CA 1.707 58.109 56.400 0.004 0.000 0.810 2 E CB 0.183 29.890 29.700 0.012 0.000 0.742 2 E HN 0.678 nan 8.360 nan 0.000 0.466 3 A N -0.056 122.715 122.820 -0.082 0.000 2.462 3 A HA 0.494 4.814 4.320 0.001 0.000 0.261 3 A C 1.860 179.270 177.584 -0.289 0.000 1.323 3 A CA 0.606 52.541 52.037 -0.170 0.000 0.913 3 A CB -0.375 18.509 19.000 -0.192 0.000 1.028 3 A HN 0.193 nan 8.150 nan 0.000 0.511 4 A N 0.938 123.672 122.820 -0.144 0.000 1.948 4 A HA -0.257 4.064 4.320 0.001 0.000 0.220 4 A C 2.023 179.527 177.584 -0.134 0.000 1.177 4 A CA 1.817 53.784 52.037 -0.116 0.000 0.636 4 A CB -1.025 17.966 19.000 -0.015 0.000 0.815 4 A HN 0.911 nan 8.150 nan 0.000 0.449 5 H N 0.012 119.067 119.070 -0.024 0.000 2.422 5 H HA -0.099 4.458 4.556 0.001 0.000 0.298 5 H C 1.836 177.152 175.328 -0.020 0.000 1.098 5 H CA 1.840 57.877 56.048 -0.019 0.000 1.315 5 H CB -0.755 29.008 29.762 0.003 0.000 1.382 5 H HN 0.580 nan 8.280 nan 0.000 0.523 6 S N 0.063 115.368 115.700 -0.658 0.000 2.558 6 S HA 0.115 4.585 4.470 0.001 0.000 0.217 6 S C 0.684 175.171 174.600 -0.188 0.000 0.975 6 S CA -0.462 57.540 58.200 -0.330 0.000 0.912 6 S CB 0.287 63.255 63.200 -0.386 0.000 0.776 6 S HN 0.095 nan 8.310 nan 0.000 0.526 7 K N 2.947 123.240 120.400 -0.179 0.000 2.098 7 K HA 0.426 4.747 4.320 0.001 0.000 0.258 7 K C 0.454 177.017 176.600 -0.061 0.000 0.973 7 K CA -0.208 56.013 56.287 -0.111 0.000 0.898 7 K CB 1.590 34.019 32.500 -0.118 0.000 1.057 7 K HN 0.425 nan 8.250 nan 0.000 0.447 8 S N -0.505 115.172 115.700 -0.039 0.000 2.624 8 S HA 0.029 4.499 4.470 0.001 0.000 0.263 8 S C 1.466 176.063 174.600 -0.005 0.000 1.287 8 S CA 0.178 58.366 58.200 -0.020 0.000 0.990 8 S CB 0.556 63.747 63.200 -0.015 0.000 0.950 8 S HN 0.646 nan 8.310 nan 0.000 0.561 9 T N -0.990 113.567 114.554 0.004 0.000 2.788 9 T HA -0.114 4.236 4.350 0.001 0.000 0.268 9 T C 1.317 176.036 174.700 0.031 0.000 1.044 9 T CA 1.470 63.581 62.100 0.019 0.000 1.139 9 T CB -0.807 68.070 68.868 0.015 0.000 0.867 9 T HN 0.708 nan 8.240 nan 0.000 0.454 10 E N 1.571 121.784 120.200 0.022 0.000 2.077 10 E HA -0.096 4.255 4.350 0.001 0.000 0.193 10 E C 2.379 179.002 176.600 0.039 0.000 0.989 10 E CA 1.469 57.886 56.400 0.028 0.000 0.800 10 E CB -0.219 29.490 29.700 0.015 0.000 0.746 10 E HN 0.708 nan 8.360 nan 0.000 0.452 11 E N -0.194 120.022 120.200 0.027 0.000 2.150 11 E HA -0.158 4.192 4.350 0.001 0.000 0.193 11 E C 1.993 178.631 176.600 0.062 0.000 0.985 11 E CA 0.980 57.398 56.400 0.031 0.000 0.814 11 E CB -0.119 29.579 29.700 -0.003 0.000 0.752 11 E HN 0.302 nan 8.360 nan 0.000 0.466 12 C N 0.593 119.934 119.300 0.069 0.000 2.457 12 C HA -0.015 4.446 4.460 0.001 0.000 0.278 12 C C 2.532 177.672 174.990 0.251 0.000 1.309 12 C CA 0.224 59.325 59.018 0.138 0.000 1.735 12 C CB -0.748 27.068 27.740 0.128 0.000 1.992 12 C HN 0.391 nan 8.230 nan 0.000 0.493 13 L N 1.059 122.385 121.223 0.173 0.000 2.093 13 L HA -0.103 4.237 4.340 0.001 0.000 0.208 13 L C 2.864 179.835 176.870 0.169 0.000 1.085 13 L CA 1.541 56.487 54.840 0.175 0.000 0.755 13 L CB -0.702 41.417 42.059 0.099 0.000 0.904 13 L HN 0.311 nan 8.230 nan 0.000 0.435 14 A N -0.841 122.052 122.820 0.122 0.000 1.930 14 A HA -0.264 4.056 4.320 0.001 0.000 0.217 14 A C 2.177 179.807 177.584 0.076 0.000 1.175 14 A CA 1.222 53.310 52.037 0.084 0.000 0.627 14 A CB -0.789 18.245 19.000 0.057 0.000 0.815 14 A HN 0.454 nan 8.150 nan 0.000 0.443 15 Y N -0.634 119.640 120.300 -0.044 0.000 2.181 15 Y HA -0.202 4.349 4.550 0.001 0.000 0.288 15 Y C 1.607 177.385 175.900 -0.203 0.000 1.146 15 Y CA 2.010 59.996 58.100 -0.190 0.000 1.164 15 Y CB -0.305 37.937 38.460 -0.364 0.000 0.982 15 Y HN 0.277 nan 8.280 nan 0.000 0.515 16 F N -0.052 119.962 119.950 0.106 0.000 2.789 16 F HA 0.266 4.794 4.527 0.001 0.000 0.300 16 F C 1.800 177.645 175.800 0.075 0.000 1.132 16 F CA 0.685 58.734 58.000 0.081 0.000 1.404 16 F CB -0.288 38.843 39.000 0.219 0.000 1.114 16 F HN 0.111 nan 8.300 nan 0.000 0.584 17 G N 1.630 110.538 108.800 0.180 0.000 2.295 17 G HA2 -0.175 3.785 3.960 0.001 0.000 0.287 17 G HA3 -0.175 3.785 3.960 0.001 0.000 0.287 17 G C -0.328 174.645 174.900 0.122 0.000 1.055 17 G CA 0.363 45.532 45.100 0.114 0.000 0.922 17 G HN 0.359 nan 8.290 nan 0.000 0.503 18 V N -0.735 119.263 119.914 0.140 0.000 2.864 18 V HA 0.891 5.011 4.120 0.001 0.000 0.314 18 V C 0.328 176.459 176.094 0.061 0.000 1.073 18 V CA 0.032 62.385 62.300 0.088 0.000 0.956 18 V CB 2.200 34.075 31.823 0.088 0.000 1.023 18 V HN 0.975 nan 8.190 nan 0.000 0.435 19 S N 2.648 118.367 115.700 0.031 0.000 2.489 19 S HA 0.335 4.805 4.470 0.001 0.000 0.291 19 S C 0.796 175.398 174.600 0.004 0.000 1.151 19 S CA -0.017 58.193 58.200 0.016 0.000 1.082 19 S CB 1.465 64.667 63.200 0.003 0.000 1.019 19 S HN 0.962 nan 8.310 nan 0.000 0.492 20 E N 2.188 122.386 120.200 -0.003 0.000 2.204 20 E HA -0.130 4.221 4.350 0.001 0.000 0.195 20 E C 1.177 177.735 176.600 -0.071 0.000 0.990 20 E CA 1.656 58.043 56.400 -0.022 0.000 0.821 20 E CB -0.014 29.674 29.700 -0.020 0.000 0.750 20 E HN 0.858 nan 8.360 nan 0.000 0.477 21 T N -2.840 111.669 114.554 -0.075 0.000 3.107 21 T HA 0.027 4.377 4.350 0.001 0.000 0.249 21 T C 1.520 176.157 174.700 -0.105 0.000 1.096 21 T CA 0.803 62.829 62.100 -0.122 0.000 1.012 21 T CB 0.507 69.318 68.868 -0.095 0.000 0.977 21 T HN 0.160 nan 8.240 nan 0.000 0.527 22 T N -1.838 112.686 114.554 -0.051 0.000 3.048 22 T HA 0.533 4.883 4.350 0.001 0.000 0.254 22 T C 1.207 175.920 174.700 0.022 0.000 0.942 22 T CA 0.901 62.992 62.100 -0.016 0.000 0.931 22 T CB 0.133 68.996 68.868 -0.009 0.000 1.220 22 T HN 1.093 nan 8.240 nan 0.000 0.503 23 G N 1.658 110.468 108.800 0.018 0.000 2.698 23 G HA2 -0.074 3.887 3.960 0.001 0.000 0.225 23 G HA3 -0.074 3.887 3.960 0.001 0.000 0.225 23 G C -0.716 174.180 174.900 -0.005 0.000 1.345 23 G CA -0.493 44.623 45.100 0.028 0.000 0.871 23 G HN 0.699 nan 8.290 nan 0.000 0.540 24 L N 1.247 122.448 121.223 -0.037 0.000 2.439 24 L HA 0.436 4.777 4.340 0.001 0.000 0.269 24 L C 1.824 178.655 176.870 -0.064 0.000 1.179 24 L CA 0.048 54.838 54.840 -0.085 0.000 0.828 24 L CB 0.594 42.550 42.059 -0.171 0.000 1.106 24 L HN 1.010 nan 8.230 nan 0.000 0.467 25 T N -1.086 113.428 114.554 -0.067 0.000 2.816 25 T HA 0.228 4.578 4.350 0.001 0.000 0.282 25 T C -1.625 173.042 174.700 -0.055 0.000 0.993 25 T CA -1.553 60.520 62.100 -0.044 0.000 0.994 25 T CB 1.065 69.914 68.868 -0.032 0.000 1.025 25 T HN 0.472 nan 8.240 nan 0.000 0.529 26 P HA -0.043 nan 4.420 nan 0.000 0.221 26 P C 0.902 178.182 177.300 -0.033 0.000 1.150 26 P CA 1.074 64.155 63.100 -0.032 0.000 0.800 26 P CB 0.038 31.727 31.700 -0.017 0.000 0.787 27 D N -0.192 120.191 120.400 -0.028 0.000 2.144 27 D HA -0.145 4.496 4.640 0.001 0.000 0.200 27 D C 2.255 178.538 176.300 -0.028 0.000 0.978 27 D CA 1.108 55.098 54.000 -0.018 0.000 0.833 27 D CB -0.296 40.500 40.800 -0.007 0.000 0.961 27 D HN 0.098 nan 8.370 nan 0.000 0.470 28 Q N -0.431 119.322 119.800 -0.077 0.000 2.050 28 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 28 Q C 2.360 178.206 176.000 -0.257 0.000 0.980 28 Q CA 1.203 56.891 55.803 -0.191 0.000 0.840 28 Q CB 0.038 28.598 28.738 -0.297 0.000 0.898 28 Q HN 0.212 nan 8.270 nan 0.000 0.424 29 V N 1.536 121.342 119.914 -0.180 0.000 2.332 29 V HA -0.317 3.804 4.120 0.001 0.000 0.248 29 V C 2.304 178.387 176.094 -0.018 0.000 1.055 29 V CA 2.069 64.306 62.300 -0.105 0.000 1.038 29 V CB -0.603 31.177 31.823 -0.071 0.000 0.651 29 V HN 0.359 nan 8.190 nan 0.000 0.450 30 K N 0.177 120.570 120.400 -0.011 0.000 2.002 30 K HA -0.221 4.099 4.320 0.001 0.000 0.209 30 K C 2.410 179.034 176.600 0.041 0.000 1.048 30 K CA 1.790 58.084 56.287 0.010 0.000 0.930 30 K CB -0.158 32.346 32.500 0.006 0.000 0.714 30 K HN 0.307 nan 8.250 nan 0.000 0.438 31 R N -0.509 120.033 120.500 0.071 0.000 2.081 31 R HA -0.092 4.248 4.340 0.001 0.000 0.235 31 R C 2.414 178.814 176.300 0.165 0.000 1.131 31 R CA 1.829 57.991 56.100 0.104 0.000 0.960 31 R CB -0.374 30.006 30.300 0.134 0.000 0.856 31 R HN 0.487 nan 8.270 nan 0.000 0.436 32 H N -0.439 118.662 119.070 0.052 0.000 2.357 32 H HA -0.115 4.441 4.556 0.001 0.000 0.301 32 H C 2.046 177.455 175.328 0.135 0.000 1.082 32 H CA 1.112 57.258 56.048 0.163 0.000 1.342 32 H CB 0.087 29.979 29.762 0.216 0.000 1.389 32 H HN 0.068 nan 8.280 nan 0.000 0.511 33 L N 1.417 122.738 121.223 0.163 0.000 2.046 33 L HA -0.158 4.182 4.340 0.001 0.000 0.208 33 L C 2.437 179.300 176.870 -0.012 0.000 1.077 33 L CA 1.611 56.460 54.840 0.015 0.000 0.747 33 L CB -0.409 41.599 42.059 -0.085 0.000 0.896 33 L HN 0.231 nan 8.230 nan 0.000 0.432 34 E N -0.614 119.584 120.200 -0.004 0.000 2.077 34 E HA -0.300 4.050 4.350 0.001 0.000 0.193 34 E C 2.241 178.799 176.600 -0.071 0.000 0.989 34 E CA 1.479 57.864 56.400 -0.025 0.000 0.800 34 E CB -0.086 29.604 29.700 -0.017 0.000 0.746 34 E HN 0.490 nan 8.360 nan 0.000 0.452 35 K N -0.814 119.494 120.400 -0.154 0.000 2.062 35 K HA -0.126 4.194 4.320 0.001 0.000 0.205 35 K C 1.389 177.743 176.600 -0.409 0.000 1.051 35 K CA 1.231 57.300 56.287 -0.363 0.000 0.941 35 K CB 0.021 32.135 32.500 -0.645 0.000 0.719 35 K HN 0.179 nan 8.250 nan 0.000 0.440 36 Y N -0.156 120.153 120.300 0.015 0.000 2.458 36 Y HA 0.283 4.834 4.550 0.001 0.000 0.254 36 Y C 1.015 176.927 175.900 0.019 0.000 1.120 36 Y CA 0.248 58.363 58.100 0.024 0.000 1.282 36 Y CB 0.670 39.152 38.460 0.036 0.000 1.109 36 Y HN 0.301 nan 8.280 nan 0.000 0.526 37 G N 0.121 108.986 108.800 0.109 0.000 2.782 37 G HA2 -0.221 3.739 3.960 0.001 0.000 0.228 37 G HA3 -0.221 3.739 3.960 0.001 0.000 0.228 37 G C -0.707 174.209 174.900 0.027 0.000 1.372 37 G CA -0.701 44.443 45.100 0.074 0.000 0.862 37 G HN 0.329 nan 8.290 nan 0.000 0.547 38 H N 0.166 119.281 119.070 0.075 0.000 2.615 38 H HA 0.273 4.830 4.556 0.001 0.000 0.363 38 H C 0.819 176.181 175.328 0.057 0.000 1.148 38 H CA 0.314 56.398 56.048 0.060 0.000 1.401 38 H CB 1.129 30.916 29.762 0.042 0.000 1.461 38 H HN 0.490 nan 8.280 nan 0.000 0.588 39 N N 2.391 121.188 118.700 0.161 0.000 2.807 39 N HA 0.002 4.742 4.740 0.001 0.000 0.259 39 N C -0.979 174.589 175.510 0.097 0.000 1.149 39 N CA -0.181 52.929 53.050 0.101 0.000 1.042 39 N CB -0.120 38.405 38.487 0.062 0.000 1.367 39 N HN 0.665 nan 8.380 nan 0.000 0.516 40 E N 1.539 121.795 120.200 0.094 0.000 2.396 40 E HA 0.207 4.558 4.350 0.001 0.000 0.280 40 E C -1.369 175.268 176.600 0.062 0.000 1.065 40 E CA -0.860 55.581 56.400 0.070 0.000 0.831 40 E CB 0.472 30.207 29.700 0.058 0.000 1.272 40 E HN 0.083 nan 8.360 nan 0.000 0.443 41 L N 1.859 123.111 121.223 0.049 0.000 2.395 41 L HA 0.427 4.767 4.340 0.001 0.000 0.269 41 L C -1.718 175.173 176.870 0.034 0.000 1.133 41 L CA -1.924 52.941 54.840 0.042 0.000 0.812 41 L CB 0.231 42.314 42.059 0.039 0.000 1.125 41 L HN 0.492 nan 8.230 nan 0.000 0.452 42 P HA 0.052 nan 4.420 nan 0.000 0.269 42 P C -0.804 176.506 177.300 0.016 0.000 1.217 42 P CA -0.380 62.734 63.100 0.025 0.000 0.783 42 P CB 0.686 32.401 31.700 0.025 0.000 0.898 43 A N 1.915 124.740 122.820 0.010 0.000 2.340 43 A HA 0.368 4.688 4.320 0.001 0.000 0.268 43 A C 0.383 177.970 177.584 0.005 0.000 1.100 43 A CA -0.497 51.543 52.037 0.004 0.000 0.803 43 A CB -0.146 18.853 19.000 -0.002 0.000 1.043 43 A HN 0.615 nan 8.150 nan 0.000 0.488 44 E N 1.708 121.909 120.200 0.002 0.000 2.408 44 E HA 0.240 4.590 4.350 0.001 0.000 0.259 44 E C -0.485 176.116 176.600 0.002 0.000 1.110 44 E CA -0.235 56.166 56.400 0.001 0.000 0.929 44 E CB 0.047 29.745 29.700 -0.003 0.000 0.971 44 E HN 0.576 nan 8.360 nan 0.000 0.438 45 E N 0.710 120.912 120.200 0.003 0.000 2.452 45 E HA 0.112 4.462 4.350 0.001 0.000 0.261 45 E C 0.355 176.959 176.600 0.007 0.000 0.987 45 E CA 0.509 56.913 56.400 0.006 0.000 0.926 45 E CB 0.346 30.050 29.700 0.007 0.000 0.934 45 E HN 0.676 nan 8.360 nan 0.000 0.452 46 G N 3.599 112.406 108.800 0.010 0.000 3.458 46 G HA2 -0.051 3.909 3.960 0.001 0.000 0.256 46 G HA3 -0.051 3.909 3.960 0.001 0.000 0.256 46 G C 0.189 175.102 174.900 0.021 0.000 0.938 46 G CA -0.344 44.763 45.100 0.013 0.000 1.890 46 G HN 0.336 nan 8.290 nan 0.000 0.639 47 K N 1.505 121.915 120.400 0.018 0.000 2.402 47 K HA 0.083 4.403 4.320 0.001 0.000 0.279 47 K C 0.944 177.565 176.600 0.035 0.000 1.082 47 K CA -0.167 56.134 56.287 0.024 0.000 1.080 47 K CB 0.194 32.700 32.500 0.010 0.000 0.899 47 K HN 0.398 nan 8.250 nan 0.000 0.469 48 S N 3.760 119.496 115.700 0.061 0.000 2.617 48 S HA 0.031 4.501 4.470 0.001 0.000 0.269 48 S C 1.142 175.799 174.600 0.096 0.000 1.292 48 S CA -0.909 57.343 58.200 0.085 0.000 1.010 48 S CB 1.206 64.479 63.200 0.122 0.000 0.944 48 S HN 0.701 nan 8.310 nan 0.000 0.536 49 L N 1.769 123.056 121.223 0.106 0.000 2.079 49 L HA -0.033 4.307 4.340 0.001 0.000 0.210 49 L C 2.015 178.962 176.870 0.130 0.000 1.081 49 L CA 1.794 56.694 54.840 0.100 0.000 0.752 49 L CB -0.873 41.252 42.059 0.110 0.000 0.896 49 L HN 0.924 nan 8.230 nan 0.000 0.433 50 W N 0.778 122.090 121.300 0.021 0.000 2.381 50 W HA -0.195 4.466 4.660 0.001 0.000 0.301 50 W C 2.045 178.584 176.519 0.032 0.000 1.205 50 W CA 1.884 59.246 57.345 0.029 0.000 1.285 50 W CB -0.051 29.422 29.460 0.022 0.000 1.133 50 W HN 0.322 nan 8.180 nan 0.000 0.521 51 E N 0.411 120.671 120.200 0.100 0.000 2.153 51 E HA -0.251 4.099 4.350 0.001 0.000 0.194 51 E C 2.004 178.558 176.600 -0.077 0.000 0.988 51 E CA 1.261 57.664 56.400 0.006 0.000 0.811 51 E CB -0.493 29.252 29.700 0.076 0.000 0.746 51 E HN 0.154 nan 8.360 nan 0.000 0.466 52 L N 0.439 121.628 121.223 -0.056 0.000 2.156 52 L HA -0.080 4.260 4.340 0.001 0.000 0.208 52 L C 2.029 178.822 176.870 -0.127 0.000 1.095 52 L CA 1.177 55.975 54.840 -0.069 0.000 0.770 52 L CB 0.041 42.080 42.059 -0.033 0.000 0.914 52 L HN -0.080 nan 8.230 nan 0.000 0.439 53 V N -0.396 119.405 119.914 -0.189 0.000 2.591 53 V HA -0.173 3.948 4.120 0.001 0.000 0.249 53 V C 2.411 178.351 176.094 -0.256 0.000 1.053 53 V CA 0.995 63.155 62.300 -0.233 0.000 1.068 53 V CB -0.452 31.203 31.823 -0.280 0.000 0.689 53 V HN 0.318 nan 8.190 nan 0.000 0.462 54 I N 0.266 120.621 120.570 -0.359 0.000 2.546 54 I HA -0.137 4.034 4.170 0.001 0.000 0.255 54 I C 2.362 178.433 176.117 -0.077 0.000 1.163 54 I CA 1.328 62.490 61.300 -0.231 0.000 1.457 54 I CB -1.059 36.766 38.000 -0.291 0.000 1.092 54 I HN 0.447 nan 8.210 nan 0.000 0.434 55 E N 0.370 120.504 120.200 -0.109 0.000 2.274 55 E HA -0.164 4.186 4.350 0.001 0.000 0.194 55 E C 1.732 178.255 176.600 -0.129 0.000 0.996 55 E CA 0.405 56.756 56.400 -0.082 0.000 0.840 55 E CB 0.052 29.708 29.700 -0.073 0.000 0.772 55 E HN 0.433 nan 8.360 nan 0.000 0.491 56 Q N -0.665 118.992 119.800 -0.238 0.000 2.515 56 Q HA -0.050 4.290 4.340 0.001 0.000 0.212 56 Q C 0.224 175.830 176.000 -0.656 0.000 0.970 56 Q CA 0.795 56.330 55.803 -0.446 0.000 0.941 56 Q CB 0.194 28.574 28.738 -0.597 0.000 0.998 56 Q HN 0.297 nan 8.270 nan 0.000 0.518 57 F N -0.724 119.176 119.950 -0.084 0.000 2.835 57 F HA 0.263 4.790 4.527 0.001 0.000 0.342 57 F C 1.299 177.067 175.800 -0.055 0.000 1.202 57 F CA -0.431 57.527 58.000 -0.070 0.000 1.240 57 F CB 0.685 39.632 39.000 -0.088 0.000 1.005 57 F HN -0.014 nan 8.300 nan 0.000 0.507 58 E N -0.309 119.924 120.200 0.056 0.000 2.276 58 E HA -0.047 4.303 4.350 0.001 0.000 0.193 58 E C 0.297 176.913 176.600 0.028 0.000 0.983 58 E CA 0.099 56.521 56.400 0.037 0.000 0.861 58 E CB 0.210 29.914 29.700 0.008 0.000 0.817 58 E HN 0.245 nan 8.360 nan 0.000 0.485 59 D N 0.848 121.257 120.400 0.015 0.000 2.472 59 D HA -0.076 4.564 4.640 0.001 0.000 0.237 59 D C 1.038 177.353 176.300 0.024 0.000 1.141 59 D CA 0.147 54.155 54.000 0.013 0.000 0.875 59 D CB 0.950 41.751 40.800 0.002 0.000 1.192 59 D HN -0.053 nan 8.370 nan 0.000 0.450 60 L N 3.159 124.390 121.223 0.012 0.000 2.083 60 L HA -0.163 4.177 4.340 0.001 0.000 0.209 60 L C 2.069 178.941 176.870 0.002 0.000 1.083 60 L CA 0.900 55.742 54.840 0.004 0.000 0.752 60 L CB -0.122 41.928 42.059 -0.014 0.000 0.899 60 L HN 0.616 nan 8.230 nan 0.000 0.433 61 L N -1.061 120.164 121.223 0.002 0.000 2.156 61 L HA -0.135 4.205 4.340 0.001 0.000 0.208 61 L C 2.479 179.367 176.870 0.031 0.000 1.095 61 L CA 0.902 55.744 54.840 0.003 0.000 0.770 61 L CB -0.572 41.492 42.059 0.008 0.000 0.914 61 L HN 0.257 nan 8.230 nan 0.000 0.439 62 V N -2.870 117.073 119.914 0.048 0.000 2.667 62 V HA -0.138 3.983 4.120 0.001 0.000 0.252 62 V C 2.400 178.573 176.094 0.131 0.000 1.065 62 V CA 1.042 63.398 62.300 0.094 0.000 1.083 62 V CB -0.718 31.159 31.823 0.091 0.000 0.692 62 V HN 0.341 nan 8.190 nan 0.000 0.468 63 R N -0.140 120.416 120.500 0.095 0.000 2.090 63 R HA 0.099 4.439 4.340 0.001 0.000 0.228 63 R C 2.326 178.647 176.300 0.035 0.000 1.110 63 R CA 1.476 57.616 56.100 0.067 0.000 0.973 63 R CB -0.277 30.050 30.300 0.046 0.000 0.869 63 R HN 0.409 nan 8.270 nan 0.000 0.440 64 I N 1.060 121.647 120.570 0.028 0.000 2.252 64 I HA -0.228 3.942 4.170 0.001 0.000 0.245 64 I C 2.253 178.388 176.117 0.030 0.000 1.102 64 I CA 1.394 62.705 61.300 0.019 0.000 1.385 64 I CB -0.833 37.169 38.000 0.003 0.000 1.064 64 I HN 0.203 nan 8.210 nan 0.000 0.414 65 L N -0.177 121.070 121.223 0.041 0.000 2.083 65 L HA -0.220 4.121 4.340 0.001 0.000 0.209 65 L C 2.576 179.473 176.870 0.044 0.000 1.083 65 L CA 0.795 55.664 54.840 0.049 0.000 0.752 65 L CB -0.518 41.577 42.059 0.060 0.000 0.899 65 L HN 0.219 nan 8.230 nan 0.000 0.433 66 L N -0.161 121.082 121.223 0.034 0.000 2.017 66 L HA -0.212 4.129 4.340 0.001 0.000 0.208 66 L C 2.327 179.189 176.870 -0.014 0.000 1.073 66 L CA 1.570 56.397 54.840 -0.021 0.000 0.745 66 L CB -0.527 41.481 42.059 -0.086 0.000 0.894 66 L HN 0.146 nan 8.230 nan 0.000 0.432 67 L N 0.051 121.277 121.223 0.005 0.000 2.042 67 L HA -0.109 4.231 4.340 0.001 0.000 0.210 67 L C 2.407 179.311 176.870 0.056 0.000 1.076 67 L CA 2.211 57.065 54.840 0.024 0.000 0.749 67 L CB -1.265 40.812 42.059 0.029 0.000 0.893 67 L HN 0.270 nan 8.230 nan 0.000 0.432 68 A N -0.724 122.133 122.820 0.061 0.000 2.014 68 A HA 0.095 4.416 4.320 0.001 0.000 0.218 68 A C 2.409 180.052 177.584 0.100 0.000 1.163 68 A CA 1.309 53.398 52.037 0.085 0.000 0.652 68 A CB -0.936 18.108 19.000 0.073 0.000 0.808 68 A HN 0.589 nan 8.150 nan 0.000 0.449 69 A N -1.099 121.767 122.820 0.076 0.000 1.969 69 A HA -0.106 4.214 4.320 0.001 0.000 0.218 69 A C 2.241 179.899 177.584 0.123 0.000 1.169 69 A CA 1.523 53.613 52.037 0.088 0.000 0.635 69 A CB -1.069 17.949 19.000 0.030 0.000 0.810 69 A HN 0.561 nan 8.150 nan 0.000 0.445 70 C N -0.443 118.908 119.300 0.085 0.000 2.462 70 C HA -0.043 4.417 4.460 0.001 0.000 0.278 70 C C 2.551 177.647 174.990 0.177 0.000 1.253 70 C CA 0.723 59.808 59.018 0.112 0.000 1.713 70 C CB -0.979 26.788 27.740 0.045 0.000 2.049 70 C HN 0.580 nan 8.230 nan 0.000 0.477 71 I N 1.075 121.731 120.570 0.143 0.000 2.163 71 I HA -0.168 4.002 4.170 0.001 0.000 0.243 71 I C 2.734 178.952 176.117 0.168 0.000 1.085 71 I CA 1.841 63.226 61.300 0.141 0.000 1.347 71 I CB -1.743 36.373 38.000 0.193 0.000 1.044 71 I HN 0.357 nan 8.210 nan 0.000 0.408 72 S N 0.778 116.595 115.700 0.195 0.000 2.359 72 S HA -0.256 4.214 4.470 0.001 0.000 0.224 72 S C 2.163 176.939 174.600 0.294 0.000 1.035 72 S CA 1.453 59.780 58.200 0.212 0.000 1.018 72 S CB -0.559 62.766 63.200 0.208 0.000 0.876 72 S HN 0.348 nan 8.310 nan 0.000 0.448 73 F N 2.176 122.238 119.950 0.187 0.000 2.095 73 F HA -0.086 4.442 4.527 0.001 0.000 0.298 73 F C 2.202 178.191 175.800 0.314 0.000 1.104 73 F CA 1.654 59.825 58.000 0.285 0.000 1.232 73 F CB -0.829 38.258 39.000 0.146 0.000 0.987 73 F HN 0.087 nan 8.300 nan 0.000 0.475 74 V N 0.069 120.108 119.914 0.207 0.000 2.295 74 V HA -0.310 3.811 4.120 0.001 0.000 0.246 74 V C 2.429 178.608 176.094 0.142 0.000 1.049 74 V CA 1.776 64.129 62.300 0.088 0.000 1.024 74 V CB -0.852 30.981 31.823 0.015 0.000 0.648 74 V HN 0.268 nan 8.190 nan 0.000 0.447 75 L N 0.571 121.862 121.223 0.115 0.000 2.042 75 L HA -0.087 4.253 4.340 0.001 0.000 0.210 75 L C 2.348 179.249 176.870 0.051 0.000 1.076 75 L CA 2.219 57.124 54.840 0.108 0.000 0.749 75 L CB -1.138 40.981 42.059 0.100 0.000 0.893 75 L HN 0.316 nan 8.230 nan 0.000 0.432 76 A N -2.363 120.447 122.820 -0.017 0.000 2.258 76 A HA -0.162 4.158 4.320 0.001 0.000 0.206 76 A C 1.828 179.116 177.584 -0.493 0.000 1.222 76 A CA 0.536 52.375 52.037 -0.331 0.000 0.822 76 A CB -0.852 17.882 19.000 -0.443 0.000 0.804 76 A HN 0.703 nan 8.150 nan 0.000 0.483 77 W N -2.484 118.662 121.300 -0.258 0.000 3.231 77 W HA 0.172 4.833 4.660 0.001 0.000 0.234 77 W C 0.059 176.581 176.519 0.005 0.000 1.099 77 W CA 0.078 57.357 57.345 -0.110 0.000 1.467 77 W CB 0.151 29.582 29.460 -0.049 0.000 0.800 77 W HN 0.282 nan 8.180 nan 0.000 0.739 78 F N 3.021 123.006 119.950 0.059 0.000 2.664 78 F HA 0.303 4.830 4.527 0.001 0.000 0.301 78 F C 0.608 176.361 175.800 -0.078 0.000 1.126 78 F CA 0.374 58.374 58.000 0.000 0.000 1.373 78 F CB -0.430 38.600 39.000 0.051 0.000 1.042 78 F HN -0.231 nan 8.300 nan 0.000 0.535 79 E N 0.927 121.048 120.200 -0.131 0.000 2.283 79 E HA 0.274 4.624 4.350 0.001 0.000 0.267 79 E C -0.816 175.634 176.600 -0.251 0.000 1.045 79 E CA -0.458 55.840 56.400 -0.171 0.000 0.884 79 E CB 0.894 30.507 29.700 -0.144 0.000 1.106 79 E HN 0.287 nan 8.360 nan 0.000 0.408 80 E N 0.876 120.951 120.200 -0.208 0.000 2.224 80 E HA 0.619 4.969 4.350 0.001 0.000 0.265 80 E C -0.603 175.906 176.600 -0.150 0.000 0.878 80 E CA -0.756 55.522 56.400 -0.202 0.000 0.759 80 E CB 2.013 31.591 29.700 -0.204 0.000 1.164 80 E HN 0.717 nan 8.360 nan 0.000 0.414 81 G N 1.803 110.515 108.800 -0.146 0.000 2.361 81 G HA2 -0.055 3.905 3.960 0.001 0.000 0.305 81 G HA3 -0.055 3.905 3.960 0.001 0.000 0.305 81 G C -0.518 174.315 174.900 -0.112 0.000 1.367 81 G CA -0.738 44.294 45.100 -0.114 0.000 0.951 81 G HN 0.496 nan 8.290 nan 0.000 0.615 82 E N -0.220 119.927 120.200 -0.089 0.000 2.368 82 E HA 0.117 4.467 4.350 0.001 0.000 0.188 82 E C 0.406 176.959 176.600 -0.078 0.000 1.061 82 E CA 0.111 56.462 56.400 -0.081 0.000 0.933 82 E CB 0.372 30.033 29.700 -0.064 0.000 1.091 82 E HN 0.443 nan 8.360 nan 0.000 0.458 83 E N 0.730 120.877 120.200 -0.089 0.000 2.352 83 E HA -0.026 4.324 4.350 0.001 0.000 0.197 83 E C 1.099 177.643 176.600 -0.093 0.000 1.224 83 E CA 0.259 56.608 56.400 -0.085 0.000 1.118 83 E CB -0.120 29.525 29.700 -0.092 0.000 1.198 83 E HN 0.238 nan 8.360 nan 0.000 0.454 84 T N -0.420 114.084 114.554 -0.084 0.000 3.007 84 T HA -0.123 4.227 4.350 0.001 0.000 0.270 84 T C 1.673 176.349 174.700 -0.040 0.000 1.107 84 T CA 0.544 62.603 62.100 -0.068 0.000 1.118 84 T CB -0.160 68.675 68.868 -0.056 0.000 0.889 84 T HN 0.309 nan 8.240 nan 0.000 0.506 85 I N 1.332 121.877 120.570 -0.042 0.000 2.454 85 I HA 0.089 4.259 4.170 0.001 0.000 0.254 85 I C 0.750 176.851 176.117 -0.028 0.000 1.156 85 I CA 1.205 62.486 61.300 -0.031 0.000 1.433 85 I CB -0.048 37.932 38.000 -0.035 0.000 1.082 85 I HN 0.302 nan 8.210 nan 0.000 0.432 86 T N -1.397 113.133 114.554 -0.039 0.000 3.933 86 T HA 0.632 4.982 4.350 0.001 0.000 0.357 86 T C -0.342 174.322 174.700 -0.061 0.000 1.077 86 T CA -0.143 61.937 62.100 -0.034 0.000 1.082 86 T CB 0.553 69.394 68.868 -0.044 0.000 1.158 86 T HN 0.199 nan 8.240 nan 0.000 0.472 87 A N 3.623 126.404 122.820 -0.064 0.000 1.792 87 A HA 0.365 4.686 4.320 0.001 0.000 0.189 87 A C 0.419 177.913 177.584 -0.149 0.000 1.926 87 A CA -0.061 51.876 52.037 -0.166 0.000 1.493 87 A CB -0.226 18.580 19.000 -0.324 0.000 1.554 87 A HN 0.621 nan 8.150 nan 0.000 0.340 88 F N 1.014 121.005 119.950 0.067 0.000 2.664 88 F HA 0.221 4.748 4.527 0.001 0.000 0.301 88 F C 1.787 177.690 175.800 0.172 0.000 1.126 88 F CA 0.188 58.270 58.000 0.136 0.000 1.373 88 F CB 0.284 39.370 39.000 0.144 0.000 1.042 88 F HN 0.054 nan 8.300 nan 0.000 0.535 89 V N -0.322 119.744 119.914 0.254 0.000 2.270 89 V HA -0.269 3.851 4.120 0.001 0.000 0.245 89 V C 2.455 178.691 176.094 0.237 0.000 1.043 89 V CA 2.116 64.553 62.300 0.228 0.000 1.014 89 V CB -0.447 31.423 31.823 0.079 0.000 0.645 89 V HN 0.365 nan 8.190 nan 0.000 0.447 90 E N 0.931 121.236 120.200 0.174 0.000 2.048 90 E HA -0.238 4.113 4.350 0.001 0.000 0.202 90 E C -0.122 176.604 176.600 0.210 0.000 1.021 90 E CA 2.294 58.789 56.400 0.159 0.000 0.825 90 E CB -0.974 28.804 29.700 0.130 0.000 0.756 90 E HN 0.501 nan 8.360 nan 0.000 0.454 91 P HA -0.166 nan 4.420 nan 0.000 0.218 91 P C 1.434 178.910 177.300 0.293 0.000 1.149 91 P CA 1.091 64.386 63.100 0.325 0.000 0.817 91 P CB -0.290 31.729 31.700 0.532 0.000 0.785 92 F N 1.117 121.176 119.950 0.181 0.000 2.234 92 F HA -0.101 4.427 4.527 0.001 0.000 0.299 92 F C 1.974 177.824 175.800 0.083 0.000 1.087 92 F CA 0.898 58.965 58.000 0.111 0.000 1.340 92 F CB -0.854 38.216 39.000 0.118 0.000 1.031 92 F HN -0.314 nan 8.300 nan 0.000 0.500 93 V N 0.731 120.645 119.914 0.000 0.000 2.323 93 V HA -0.282 3.838 4.120 0.001 0.000 0.244 93 V C 2.489 178.535 176.094 -0.080 0.000 1.041 93 V CA 2.024 64.266 62.300 -0.098 0.000 1.025 93 V CB -0.626 31.220 31.823 0.039 0.000 0.656 93 V HN 0.297 nan 8.190 nan 0.000 0.451 94 I N -0.364 120.210 120.570 0.007 0.000 2.127 94 I HA -0.302 3.868 4.170 0.001 0.000 0.241 94 I C 2.466 178.575 176.117 -0.013 0.000 1.075 94 I CA 1.808 63.119 61.300 0.020 0.000 1.334 94 I CB -0.376 37.660 38.000 0.060 0.000 1.040 94 I HN 0.262 nan 8.210 nan 0.000 0.405 95 L N 0.471 121.676 121.223 -0.030 0.000 2.042 95 L HA -0.242 4.098 4.340 0.001 0.000 0.210 95 L C 2.571 179.383 176.870 -0.097 0.000 1.076 95 L CA 1.304 56.116 54.840 -0.046 0.000 0.749 95 L CB -0.156 41.880 42.059 -0.037 0.000 0.893 95 L HN 0.293 nan 8.230 nan 0.000 0.432 96 L N -0.381 120.689 121.223 -0.254 0.000 2.042 96 L HA -0.275 4.065 4.340 0.001 0.000 0.210 96 L C 2.413 179.198 176.870 -0.141 0.000 1.076 96 L CA 1.580 56.238 54.840 -0.304 0.000 0.749 96 L CB -0.169 41.550 42.059 -0.566 0.000 0.893 96 L HN 0.209 nan 8.230 nan 0.000 0.432 97 I N -0.407 120.103 120.570 -0.099 0.000 2.226 97 I HA -0.339 3.832 4.170 0.001 0.000 0.245 97 I C 2.391 178.498 176.117 -0.018 0.000 1.100 97 I CA 1.295 62.566 61.300 -0.048 0.000 1.374 97 I CB -0.261 37.725 38.000 -0.023 0.000 1.057 97 I HN 0.307 nan 8.210 nan 0.000 0.413 98 L N 0.260 121.499 121.223 0.028 0.000 2.083 98 L HA -0.208 4.132 4.340 0.001 0.000 0.209 98 L C 2.490 179.420 176.870 0.100 0.000 1.083 98 L CA 1.394 56.305 54.840 0.118 0.000 0.752 98 L CB -0.383 41.840 42.059 0.274 0.000 0.899 98 L HN 0.228 nan 8.230 nan 0.000 0.433 99 I N -0.199 120.413 120.570 0.070 0.000 2.252 99 I HA -0.250 3.920 4.170 0.001 0.000 0.245 99 I C 2.779 178.889 176.117 -0.011 0.000 1.102 99 I CA 1.114 62.446 61.300 0.053 0.000 1.385 99 I CB -0.416 37.599 38.000 0.024 0.000 1.064 99 I HN 0.180 nan 8.210 nan 0.000 0.414 100 A N 0.753 123.551 122.820 -0.037 0.000 1.972 100 A HA -0.264 4.056 4.320 0.001 0.000 0.219 100 A C 2.015 179.558 177.584 -0.069 0.000 1.169 100 A CA 2.296 54.300 52.037 -0.055 0.000 0.635 100 A CB -0.860 18.102 19.000 -0.063 0.000 0.810 100 A HN 0.491 nan 8.150 nan 0.000 0.446 101 N N 0.180 118.832 118.700 -0.079 0.000 2.106 101 N HA -0.064 4.676 4.740 0.001 0.000 0.188 101 N C 1.772 177.187 175.510 -0.159 0.000 1.029 101 N CA 1.951 54.933 53.050 -0.113 0.000 0.848 101 N CB -0.368 38.042 38.487 -0.128 0.000 1.007 101 N HN 0.329 nan 8.380 nan 0.000 0.423 102 A N 0.634 123.325 122.820 -0.214 0.000 1.902 102 A HA -0.069 4.252 4.320 0.001 0.000 0.217 102 A C 2.326 179.848 177.584 -0.103 0.000 1.181 102 A CA 1.184 53.072 52.037 -0.249 0.000 0.623 102 A CB -0.861 17.977 19.000 -0.270 0.000 0.818 102 A HN 0.403 nan 8.150 nan 0.000 0.443 103 I N -0.311 120.229 120.570 -0.051 0.000 2.118 103 I HA -0.285 3.886 4.170 0.001 0.000 0.241 103 I C 2.406 178.550 176.117 0.045 0.000 1.070 103 I CA 1.596 62.897 61.300 0.002 0.000 1.327 103 I CB -0.528 37.465 38.000 -0.012 0.000 1.034 103 I HN 0.180 nan 8.210 nan 0.000 0.405 104 V N 1.145 121.062 119.914 0.006 0.000 2.252 104 V HA -0.289 3.832 4.120 0.001 0.000 0.249 104 V C 2.642 178.816 176.094 0.133 0.000 1.056 104 V CA 2.360 64.697 62.300 0.062 0.000 1.022 104 V CB -1.668 30.150 31.823 -0.008 0.000 0.641 104 V HN 0.616 nan 8.190 nan 0.000 0.445 105 G N -0.202 108.613 108.800 0.026 0.000 2.505 105 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 105 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 105 G C 1.629 176.543 174.900 0.024 0.000 1.145 105 G CA 1.488 46.589 45.100 0.001 0.000 0.761 105 G HN 0.419 nan 8.290 nan 0.000 0.571 106 V N -0.779 119.155 119.914 0.032 0.000 2.453 106 V HA -0.094 4.026 4.120 0.001 0.000 0.247 106 V C 2.222 178.365 176.094 0.082 0.000 1.048 106 V CA 1.558 63.880 62.300 0.035 0.000 1.049 106 V CB -0.639 31.204 31.823 0.034 0.000 0.672 106 V HN 0.611 nan 8.190 nan 0.000 0.457 107 W N 1.074 122.352 121.300 -0.037 0.000 2.335 107 W HA -0.234 4.426 4.660 0.001 0.000 0.311 107 W C 2.529 179.033 176.519 -0.024 0.000 1.213 107 W CA 2.143 59.473 57.345 -0.026 0.000 1.274 107 W CB -0.234 29.211 29.460 -0.025 0.000 1.148 107 W HN 0.243 nan 8.180 nan 0.000 0.498 108 Q N -0.419 119.409 119.800 0.047 0.000 2.050 108 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 108 Q C 2.103 177.992 176.000 -0.185 0.000 0.980 108 Q CA 1.613 57.338 55.803 -0.131 0.000 0.840 108 Q CB -0.517 28.242 28.738 0.035 0.000 0.898 108 Q HN 0.276 nan 8.270 nan 0.000 0.424 109 E N 0.692 120.831 120.200 -0.102 0.000 2.085 109 E HA -0.208 4.142 4.350 0.001 0.000 0.194 109 E C 1.907 178.430 176.600 -0.127 0.000 0.994 109 E CA 0.896 57.240 56.400 -0.094 0.000 0.801 109 E CB -0.221 29.445 29.700 -0.056 0.000 0.743 109 E HN 0.263 nan 8.360 nan 0.000 0.453 110 R N 0.735 121.139 120.500 -0.160 0.000 2.120 110 R HA -0.065 4.275 4.340 0.001 0.000 0.234 110 R C 1.293 177.457 176.300 -0.227 0.000 1.123 110 R CA 1.005 57.005 56.100 -0.167 0.000 0.975 110 R CB 0.075 30.279 30.300 -0.159 0.000 0.866 110 R HN 0.097 nan 8.270 nan 0.000 0.446 111 N N 0.076 118.565 118.700 -0.352 0.000 2.336 111 N HA 0.047 4.787 4.740 0.001 0.000 0.189 111 N C -0.316 175.054 175.510 -0.234 0.000 1.113 111 N CA 0.360 53.196 53.050 -0.356 0.000 0.858 111 N CB 0.831 38.950 38.487 -0.613 0.000 0.970 111 N HN 0.137 nan 8.380 nan 0.000 0.471 112 A N 1.363 124.073 122.820 -0.183 0.000 2.327 112 A HA 0.444 4.764 4.320 0.001 0.000 0.283 112 A C -0.320 177.211 177.584 -0.089 0.000 1.127 112 A CA -0.340 51.625 52.037 -0.120 0.000 0.810 112 A CB 0.405 19.348 19.000 -0.096 0.000 1.066 112 A HN 0.130 nan 8.150 nan 0.000 0.492 113 E N 1.213 121.372 120.200 -0.069 0.000 2.248 113 E HA 0.487 4.838 4.350 0.001 0.000 0.267 113 E C -0.909 175.668 176.600 -0.037 0.000 0.877 113 E CA -0.925 55.443 56.400 -0.052 0.000 0.759 113 E CB 0.912 30.581 29.700 -0.052 0.000 1.182 113 E HN 0.682 nan 8.360 nan 0.000 0.418 114 N N 0.478 119.160 118.700 -0.029 0.000 2.466 114 N HA 0.497 5.238 4.740 0.001 0.000 0.294 114 N C 0.420 175.924 175.510 -0.010 0.000 1.129 114 N CA -0.472 52.567 53.050 -0.019 0.000 0.931 114 N CB 1.574 40.052 38.487 -0.016 0.000 1.193 114 N HN 0.470 nan 8.380 nan 0.000 0.500 115 A N 1.657 124.475 122.820 -0.003 0.000 1.908 115 A HA -0.132 4.189 4.320 0.001 0.000 0.218 115 A C 1.885 179.480 177.584 0.017 0.000 1.181 115 A CA 1.115 53.157 52.037 0.009 0.000 0.627 115 A CB -1.092 17.914 19.000 0.009 0.000 0.818 115 A HN 0.792 nan 8.150 nan 0.000 0.445 116 I N -0.224 120.353 120.570 0.011 0.000 2.163 116 I HA -0.244 3.926 4.170 0.001 0.000 0.243 116 I C 2.181 178.309 176.117 0.018 0.000 1.085 116 I CA 1.450 62.760 61.300 0.016 0.000 1.347 116 I CB -0.413 37.592 38.000 0.009 0.000 1.044 116 I HN 0.298 nan 8.210 nan 0.000 0.408 117 E N 0.801 121.004 120.200 0.005 0.000 2.338 117 E HA -0.093 4.257 4.350 0.001 0.000 0.197 117 E C 2.121 178.718 176.600 -0.006 0.000 1.007 117 E CA 0.996 57.395 56.400 -0.002 0.000 0.849 117 E CB -0.152 29.540 29.700 -0.013 0.000 0.774 117 E HN 0.502 nan 8.360 nan 0.000 0.506 118 A N 0.605 123.426 122.820 0.002 0.000 2.067 118 A HA -0.003 4.317 4.320 0.001 0.000 0.217 118 A C 2.234 179.832 177.584 0.023 0.000 1.156 118 A CA 0.364 52.397 52.037 -0.006 0.000 0.683 118 A CB -0.357 18.648 19.000 0.009 0.000 0.808 118 A HN 0.166 nan 8.150 nan 0.000 0.455 119 L N -0.553 120.720 121.223 0.084 0.000 2.093 119 L HA -0.148 4.192 4.340 0.001 0.000 0.208 119 L C 2.165 179.121 176.870 0.143 0.000 1.085 119 L CA 1.301 56.254 54.840 0.189 0.000 0.755 119 L CB -0.393 41.744 42.059 0.130 0.000 0.904 119 L HN 0.318 nan 8.230 nan 0.000 0.435 120 K N 0.313 120.745 120.400 0.053 0.000 2.520 120 K HA -0.177 4.144 4.320 0.001 0.000 0.197 120 K C 1.572 178.159 176.600 -0.021 0.000 1.043 120 K CA 0.907 57.210 56.287 0.027 0.000 0.944 120 K CB -0.107 32.398 32.500 0.008 0.000 0.770 120 K HN 0.470 nan 8.250 nan 0.000 0.480 121 E N -0.399 119.737 120.200 -0.105 0.000 2.358 121 E HA -0.126 4.225 4.350 0.001 0.000 0.195 121 E C 0.651 177.069 176.600 -0.302 0.000 1.010 121 E CA 0.696 56.953 56.400 -0.238 0.000 0.856 121 E CB 0.065 29.544 29.700 -0.368 0.000 0.795 121 E HN 0.380 nan 8.360 nan 0.000 0.504 122 Y N 1.588 121.891 120.300 0.005 0.000 2.466 122 Y HA 0.075 4.625 4.550 0.001 0.000 0.272 122 Y C 0.238 176.146 175.900 0.014 0.000 1.169 122 Y CA -0.005 58.101 58.100 0.010 0.000 1.285 122 Y CB 0.124 38.591 38.460 0.012 0.000 1.078 122 Y HN -0.003 nan 8.280 nan 0.000 0.523 123 E N 1.805 122.069 120.200 0.107 0.000 2.113 123 E HA 0.315 4.665 4.350 0.001 0.000 0.273 123 E C -2.758 173.867 176.600 0.041 0.000 0.924 123 E CA -2.353 54.093 56.400 0.077 0.000 0.764 123 E CB 1.127 30.865 29.700 0.063 0.000 1.104 123 E HN -0.010 nan 8.360 nan 0.000 0.406 124 P HA -0.049 nan 4.420 nan 0.000 0.272 124 P C 0.195 177.503 177.300 0.013 0.000 1.230 124 P CA -0.104 63.010 63.100 0.022 0.000 0.788 124 P CB 1.494 33.209 31.700 0.024 0.000 0.949 125 E N 0.995 121.197 120.200 0.004 0.000 2.107 125 E HA -0.066 4.285 4.350 0.001 0.000 0.191 125 E C 0.305 176.906 176.600 0.002 0.000 0.982 125 E CA 0.916 57.317 56.400 0.001 0.000 0.809 125 E CB 0.098 29.795 29.700 -0.005 0.000 0.756 125 E HN 0.342 nan 8.360 nan 0.000 0.459 126 M N -0.455 119.144 119.600 -0.001 0.000 2.761 126 M HA 0.571 5.051 4.480 0.001 0.000 0.305 126 M C 0.208 176.503 176.300 -0.009 0.000 1.235 126 M CA -0.671 54.625 55.300 -0.007 0.000 0.850 126 M CB 1.639 34.231 32.600 -0.013 0.000 1.744 126 M HN 0.070 nan 8.290 nan 0.000 0.480 127 G N 0.690 109.478 108.800 -0.020 0.000 2.682 127 G HA2 0.689 4.649 3.960 0.001 0.000 0.290 127 G HA3 0.689 4.649 3.960 0.001 0.000 0.290 127 G C -1.817 173.050 174.900 -0.055 0.000 1.425 127 G CA -0.733 44.349 45.100 -0.030 0.000 0.807 127 G HN 0.529 nan 8.290 nan 0.000 0.482 128 K N -0.098 120.256 120.400 -0.076 0.000 2.376 128 K HA 0.659 4.979 4.320 0.001 0.000 0.257 128 K C -0.389 176.111 176.600 -0.167 0.000 0.939 128 K CA -0.758 55.450 56.287 -0.132 0.000 0.809 128 K CB 2.484 34.895 32.500 -0.147 0.000 1.121 128 K HN 0.645 nan 8.250 nan 0.000 0.425 129 V N -0.563 119.224 119.914 -0.211 0.000 3.141 129 V HA 0.595 4.716 4.120 0.001 0.000 0.312 129 V C -1.564 174.344 176.094 -0.311 0.000 1.157 129 V CA -0.918 61.268 62.300 -0.191 0.000 1.041 129 V CB 1.417 33.188 31.823 -0.086 0.000 1.071 129 V HN 0.612 nan 8.190 nan 0.000 0.441 130 Y N 0.910 121.193 120.300 -0.028 0.000 2.328 130 Y HA 0.784 5.335 4.550 0.001 0.000 0.333 130 Y C 0.389 176.270 175.900 -0.032 0.000 0.958 130 Y CA -0.495 57.590 58.100 -0.025 0.000 1.167 130 Y CB 1.917 40.364 38.460 -0.022 0.000 1.151 130 Y HN 0.589 nan 8.280 nan 0.000 0.470 131 R N 1.209 121.772 120.500 0.106 0.000 2.686 131 R HA 0.602 4.942 4.340 0.001 0.000 0.286 131 R C 0.774 177.101 176.300 0.044 0.000 0.969 131 R CA -0.474 55.653 56.100 0.045 0.000 0.898 131 R CB 1.847 32.148 30.300 0.002 0.000 1.183 131 R HN 0.837 nan 8.270 nan 0.000 0.456 132 A N 2.094 124.927 122.820 0.021 0.000 1.985 132 A HA -0.256 4.064 4.320 0.001 0.000 0.223 132 A C 1.308 178.901 177.584 0.014 0.000 1.189 132 A CA 2.260 54.305 52.037 0.014 0.000 0.658 132 A CB -0.535 18.464 19.000 -0.001 0.000 0.820 132 A HN 0.894 nan 8.150 nan 0.000 0.464 133 D N -1.176 119.229 120.400 0.009 0.000 2.348 133 D HA 0.029 4.670 4.640 0.001 0.000 0.248 133 D C 0.436 176.745 176.300 0.015 0.000 1.142 133 D CA 0.294 54.299 54.000 0.008 0.000 0.904 133 D CB -0.250 40.550 40.800 0.001 0.000 0.901 133 D HN 0.472 nan 8.370 nan 0.000 0.523 134 R N -0.679 119.837 120.500 0.028 0.000 2.633 134 R HA 0.056 4.396 4.340 0.001 0.000 0.255 134 R C 0.227 176.565 176.300 0.064 0.000 1.106 134 R CA -0.619 55.503 56.100 0.036 0.000 0.959 134 R CB 1.349 31.667 30.300 0.030 0.000 1.259 134 R HN -0.152 nan 8.270 nan 0.000 0.453 135 K N 1.213 121.647 120.400 0.056 0.000 2.057 135 K HA 0.019 4.340 4.320 0.001 0.000 0.206 135 K C 0.548 177.224 176.600 0.127 0.000 1.050 135 K CA 1.725 58.051 56.287 0.065 0.000 0.935 135 K CB 0.117 32.640 32.500 0.038 0.000 0.715 135 K HN 0.504 nan 8.250 nan 0.000 0.439 136 S N -0.226 115.547 115.700 0.123 0.000 2.654 136 S HA 0.324 4.794 4.470 0.001 0.000 0.283 136 S C -0.001 174.672 174.600 0.123 0.000 1.180 136 S CA -0.897 57.403 58.200 0.166 0.000 1.021 136 S CB 1.554 64.803 63.200 0.082 0.000 1.018 136 S HN 0.065 nan 8.310 nan 0.000 0.532 137 V N 2.397 122.323 119.914 0.020 0.000 2.901 137 V HA 0.218 4.338 4.120 0.001 0.000 0.307 137 V C -0.153 175.804 176.094 -0.230 0.000 1.084 137 V CA 0.404 62.414 62.300 -0.484 0.000 1.184 137 V CB 0.543 31.939 31.823 -0.712 0.000 0.941 137 V HN 1.032 nan 8.190 nan 0.000 0.493 138 Q N 5.885 125.542 119.800 -0.238 0.000 2.285 138 Q HA 0.556 4.897 4.340 0.001 0.000 0.269 138 Q C -0.910 175.016 176.000 -0.124 0.000 1.030 138 Q CA -0.974 54.752 55.803 -0.129 0.000 0.788 138 Q CB 1.596 30.288 28.738 -0.077 0.000 1.266 138 Q HN 0.847 nan 8.270 nan 0.000 0.438 139 R N 2.949 123.395 120.500 -0.090 0.000 2.265 139 R HA 0.644 4.985 4.340 0.001 0.000 0.314 139 R C -0.043 176.228 176.300 -0.048 0.000 1.053 139 R CA -0.393 55.664 56.100 -0.072 0.000 0.931 139 R CB 0.418 30.684 30.300 -0.057 0.000 1.024 139 R HN 0.778 nan 8.270 nan 0.000 0.457 140 I N -2.077 118.468 120.570 -0.041 0.000 3.264 140 I HA 0.512 4.683 4.170 0.001 0.000 0.309 140 I C -0.668 175.442 176.117 -0.011 0.000 1.099 140 I CA -1.813 59.474 61.300 -0.022 0.000 0.989 140 I CB 1.839 39.828 38.000 -0.018 0.000 1.250 140 I HN 0.451 nan 8.210 nan 0.000 0.478 141 K N 1.388 121.791 120.400 0.004 0.000 2.350 141 K HA 0.290 4.610 4.320 0.001 0.000 0.279 141 K C 0.941 177.555 176.600 0.022 0.000 1.027 141 K CA 0.308 56.603 56.287 0.013 0.000 0.969 141 K CB 1.455 33.968 32.500 0.021 0.000 0.954 141 K HN 0.748 nan 8.250 nan 0.000 0.474 142 A N 4.103 126.934 122.820 0.019 0.000 1.948 142 A HA -0.239 4.082 4.320 0.001 0.000 0.220 142 A C 1.990 179.603 177.584 0.048 0.000 1.177 142 A CA 1.768 53.819 52.037 0.024 0.000 0.636 142 A CB -0.519 18.495 19.000 0.023 0.000 0.815 142 A HN 0.922 nan 8.150 nan 0.000 0.449 143 R N -0.830 119.712 120.500 0.069 0.000 2.241 143 R HA -0.087 4.254 4.340 0.001 0.000 0.224 143 R C 0.126 176.552 176.300 0.210 0.000 1.101 143 R CA 1.579 57.756 56.100 0.129 0.000 0.995 143 R CB -0.429 29.933 30.300 0.103 0.000 0.870 143 R HN 0.311 nan 8.270 nan 0.000 0.463 144 D N 0.787 121.268 120.400 0.134 0.000 2.339 144 D HA 0.176 4.816 4.640 0.001 0.000 0.217 144 D C 0.573 176.887 176.300 0.022 0.000 1.050 144 D CA 0.131 54.191 54.000 0.099 0.000 0.856 144 D CB 0.269 41.117 40.800 0.080 0.000 0.922 144 D HN 0.260 nan 8.370 nan 0.000 0.518 145 I N 1.264 121.846 120.570 0.019 0.000 2.638 145 I HA 0.083 4.253 4.170 0.001 0.000 0.286 145 I C 0.484 176.591 176.117 -0.017 0.000 1.088 145 I CA -0.440 60.853 61.300 -0.012 0.000 1.397 145 I CB 1.302 39.293 38.000 -0.016 0.000 1.414 145 I HN -0.241 nan 8.210 nan 0.000 0.566 146 V N 2.791 122.684 119.914 -0.036 0.000 3.130 146 V HA 0.603 4.724 4.120 0.001 0.000 0.310 146 V C -2.855 173.166 176.094 -0.122 0.000 1.158 146 V CA -2.676 59.611 62.300 -0.023 0.000 1.029 146 V CB 1.515 33.383 31.823 0.075 0.000 1.057 146 V HN 0.441 nan 8.190 nan 0.000 0.436 147 P HA 0.420 nan 4.420 nan 0.000 0.268 147 P C 0.926 177.807 177.300 -0.698 0.000 1.204 147 P CA 1.993 64.774 63.100 -0.532 0.000 0.768 147 P CB 0.935 32.157 31.700 -0.796 0.000 0.842 148 G N 2.261 110.336 108.800 -1.210 0.000 2.308 148 G HA2 -0.198 3.762 3.960 0.001 0.000 0.221 148 G HA3 -0.198 3.762 3.960 0.001 0.000 0.221 148 G C -0.061 174.634 174.900 -0.342 0.000 1.032 148 G CA 0.183 44.684 45.100 -0.998 0.000 0.623 148 G HN 0.697 nan 8.290 nan 0.000 0.506 149 D N 1.194 121.457 120.400 -0.227 0.000 2.362 149 D HA 0.486 5.126 4.640 0.001 0.000 0.242 149 D C 0.227 176.479 176.300 -0.079 0.000 1.132 149 D CA -0.670 53.257 54.000 -0.121 0.000 0.907 149 D CB 0.707 41.454 40.800 -0.088 0.000 1.195 149 D HN 0.163 nan 8.370 nan 0.000 0.429 150 I N 1.273 121.837 120.570 -0.011 0.000 2.352 150 I HA 0.191 4.361 4.170 0.001 0.000 0.290 150 I C 0.074 176.229 176.117 0.063 0.000 1.036 150 I CA -0.537 60.791 61.300 0.046 0.000 1.336 150 I CB 1.018 39.080 38.000 0.103 0.000 1.407 150 I HN 0.401 nan 8.210 nan 0.000 0.497 151 V N 3.061 122.998 119.914 0.039 0.000 2.919 151 V HA 0.705 4.825 4.120 0.001 0.000 0.316 151 V C -0.472 175.647 176.094 0.041 0.000 1.077 151 V CA -0.829 61.477 62.300 0.009 0.000 0.977 151 V CB 1.872 33.681 31.823 -0.024 0.000 1.039 151 V HN 0.749 nan 8.190 nan 0.000 0.441 152 E N 1.284 121.481 120.200 -0.006 0.000 2.222 152 E HA 0.718 5.068 4.350 0.001 0.000 0.267 152 E C -1.381 175.214 176.600 -0.010 0.000 0.884 152 E CA -0.770 55.643 56.400 0.022 0.000 0.764 152 E CB 2.346 32.054 29.700 0.013 0.000 1.169 152 E HN 1.065 nan 8.360 nan 0.000 0.413 153 V N 0.184 120.101 119.914 0.005 0.000 3.007 153 V HA 1.028 5.148 4.120 0.001 0.000 0.311 153 V C -0.965 175.132 176.094 0.004 0.000 1.120 153 V CA -0.497 61.802 62.300 -0.003 0.000 0.980 153 V CB 1.327 33.146 31.823 -0.006 0.000 1.033 153 V HN 0.790 nan 8.190 nan 0.000 0.429 154 A N 2.305 125.127 122.820 0.003 0.000 2.593 154 A HA 0.842 5.162 4.320 0.001 0.000 0.290 154 A C -0.307 177.281 177.584 0.007 0.000 1.126 154 A CA -0.305 51.736 52.037 0.006 0.000 0.695 154 A CB 1.676 20.680 19.000 0.008 0.000 1.290 154 A HN 2.280 nan 8.150 nan 0.000 0.414 155 V N 1.252 121.171 119.914 0.008 0.000 2.780 155 V HA 0.319 4.439 4.120 0.001 0.000 0.301 155 V C 1.433 177.533 176.094 0.010 0.000 1.168 155 V CA 2.819 65.125 62.300 0.010 0.000 1.305 155 V CB 0.215 32.045 31.823 0.011 0.000 0.858 155 V HN 2.770 nan 8.190 nan 0.000 0.502 156 G N 4.261 113.069 108.800 0.013 0.000 2.268 156 G HA2 -0.202 3.758 3.960 0.001 0.000 0.240 156 G HA3 -0.202 3.758 3.960 0.001 0.000 0.240 156 G C 0.002 174.910 174.900 0.014 0.000 1.010 156 G CA 0.205 45.312 45.100 0.013 0.000 0.618 156 G HN 0.822 nan 8.290 nan 0.000 0.516 157 D N 0.835 121.242 120.400 0.012 0.000 2.372 157 D HA 0.425 5.066 4.640 0.001 0.000 0.243 157 D C 0.444 176.757 176.300 0.022 0.000 1.121 157 D CA 0.242 54.249 54.000 0.012 0.000 0.898 157 D CB 1.126 41.929 40.800 0.004 0.000 1.202 157 D HN 0.373 nan 8.370 nan 0.000 0.428 158 K N 1.321 121.737 120.400 0.027 0.000 2.263 158 K HA 0.261 4.582 4.320 0.001 0.000 0.272 158 K C -0.805 175.818 176.600 0.038 0.000 1.033 158 K CA -0.688 55.626 56.287 0.045 0.000 0.884 158 K CB 0.734 33.266 32.500 0.053 0.000 1.107 158 K HN 0.120 nan 8.250 nan 0.000 0.460 159 V N 7.751 127.688 119.914 0.040 0.000 2.539 159 V HA -0.040 4.080 4.120 0.001 0.000 0.300 159 V C -1.186 174.929 176.094 0.035 0.000 1.019 159 V CA -0.605 61.711 62.300 0.027 0.000 1.160 159 V CB 0.730 32.568 31.823 0.025 0.000 0.901 159 V HN 0.872 nan 8.190 nan 0.000 0.481 160 P HA 0.160 nan 4.420 nan 0.000 0.230 160 P C 0.199 177.512 177.300 0.023 0.000 1.168 160 P CA 1.060 64.172 63.100 0.021 0.000 0.793 160 P CB 0.716 32.419 31.700 0.005 0.000 0.851 161 A N -0.703 122.125 122.820 0.013 0.000 2.557 161 A HA 0.504 4.824 4.320 0.001 0.000 0.292 161 A C -1.658 175.932 177.584 0.009 0.000 1.139 161 A CA -0.576 51.468 52.037 0.012 0.000 0.665 161 A CB 0.170 19.162 19.000 -0.013 0.000 1.285 161 A HN -0.227 nan 8.150 nan 0.000 0.433 162 D N 0.841 121.251 120.400 0.017 0.000 2.325 162 D HA 0.546 5.186 4.640 0.001 0.000 0.251 162 D C -0.626 175.648 176.300 -0.044 0.000 1.196 162 D CA 0.853 54.857 54.000 0.007 0.000 0.866 162 D CB 0.412 41.257 40.800 0.075 0.000 1.101 162 D HN 0.388 nan 8.370 nan 0.000 0.476 163 I N 1.940 122.453 120.570 -0.094 0.000 2.509 163 I HA 0.328 4.498 4.170 0.001 0.000 0.293 163 I C 0.125 176.182 176.117 -0.100 0.000 1.020 163 I CA -1.152 60.098 61.300 -0.084 0.000 1.088 163 I CB 1.842 39.799 38.000 -0.072 0.000 1.267 163 I HN 0.014 nan 8.210 nan 0.000 0.430 164 R N 6.433 126.902 120.500 -0.052 0.000 2.254 164 R HA 0.501 4.841 4.340 0.001 0.000 0.318 164 R C -1.071 175.211 176.300 -0.030 0.000 1.031 164 R CA -0.165 55.913 56.100 -0.036 0.000 0.905 164 R CB 0.364 30.666 30.300 0.003 0.000 1.050 164 R HN 0.535 nan 8.270 nan 0.000 0.456 165 I N 6.771 127.318 120.570 -0.038 0.000 2.471 165 I HA -0.008 4.162 4.170 0.001 0.000 0.286 165 I C 0.875 176.990 176.117 -0.004 0.000 1.079 165 I CA 0.069 61.354 61.300 -0.024 0.000 1.398 165 I CB 0.780 38.761 38.000 -0.030 0.000 1.403 165 I HN 0.655 nan 8.210 nan 0.000 0.530 166 L N 3.953 125.178 121.223 0.003 0.000 2.269 166 L HA 0.170 4.511 4.340 0.001 0.000 0.200 166 L C 0.846 177.721 176.870 0.008 0.000 1.069 166 L CA 0.670 55.515 54.840 0.010 0.000 0.804 166 L CB 0.086 42.153 42.059 0.013 0.000 0.987 166 L HN 0.593 nan 8.230 nan 0.000 0.468 167 S N -0.450 115.255 115.700 0.008 0.000 2.603 167 S HA 0.493 4.964 4.470 0.001 0.000 0.274 167 S C -0.939 173.667 174.600 0.010 0.000 1.168 167 S CA -0.577 57.627 58.200 0.008 0.000 0.963 167 S CB 1.177 64.377 63.200 0.000 0.000 1.078 167 S HN 0.075 nan 8.310 nan 0.000 0.477 168 I N 5.862 126.440 120.570 0.012 0.000 2.291 168 I HA 0.301 4.471 4.170 0.001 0.000 0.290 168 I C 0.929 177.054 176.117 0.012 0.000 1.050 168 I CA -0.682 60.624 61.300 0.010 0.000 1.245 168 I CB 1.179 39.184 38.000 0.010 0.000 1.405 168 I HN 0.569 nan 8.210 nan 0.000 0.478 169 K N 3.279 123.687 120.400 0.013 0.000 2.062 169 K HA -0.012 4.308 4.320 0.001 0.000 0.205 169 K C 1.163 177.771 176.600 0.013 0.000 1.051 169 K CA 0.674 56.969 56.287 0.014 0.000 0.941 169 K CB -0.361 32.151 32.500 0.020 0.000 0.719 169 K HN 0.685 nan 8.250 nan 0.000 0.440 170 S N 0.031 115.739 115.700 0.013 0.000 2.641 170 S HA 0.094 4.565 4.470 0.001 0.000 0.261 170 S C 1.330 175.938 174.600 0.014 0.000 1.257 170 S CA -0.209 57.999 58.200 0.013 0.000 0.983 170 S CB 0.643 63.851 63.200 0.013 0.000 0.990 170 S HN 0.148 nan 8.310 nan 0.000 0.572 171 T N 1.029 115.593 114.554 0.017 0.000 2.867 171 T HA 0.113 4.463 4.350 0.001 0.000 0.268 171 T C 0.897 175.612 174.700 0.027 0.000 1.057 171 T CA 1.477 63.590 62.100 0.021 0.000 1.136 171 T CB -0.628 68.254 68.868 0.023 0.000 0.874 171 T HN 1.039 nan 8.240 nan 0.000 0.466 172 T N -0.991 113.574 114.554 0.019 0.000 2.840 172 T HA 0.612 4.962 4.350 0.001 0.000 0.317 172 T C -1.886 172.809 174.700 -0.008 0.000 1.401 172 T CA -1.069 61.036 62.100 0.008 0.000 1.028 172 T CB 1.761 70.642 68.868 0.022 0.000 1.317 172 T HN -0.014 nan 8.240 nan 0.000 0.495 173 L N 1.175 122.376 121.223 -0.037 0.000 2.349 173 L HA 0.754 5.094 4.340 0.001 0.000 0.278 173 L C -0.537 176.311 176.870 -0.037 0.000 0.996 173 L CA -0.524 54.296 54.840 -0.033 0.000 0.825 173 L CB 1.448 43.482 42.059 -0.042 0.000 1.243 173 L HN 0.773 nan 8.230 nan 0.000 0.412 174 R N 3.885 124.377 120.500 -0.012 0.000 2.494 174 R HA 0.787 5.127 4.340 0.001 0.000 0.305 174 R C -1.437 174.867 176.300 0.007 0.000 0.959 174 R CA -0.809 55.291 56.100 -0.000 0.000 0.864 174 R CB 2.249 32.558 30.300 0.014 0.000 1.159 174 R HN 0.437 nan 8.270 nan 0.000 0.446 175 V N 1.813 121.735 119.914 0.014 0.000 2.628 175 V HA 0.172 4.292 4.120 0.001 0.000 0.306 175 V C -0.593 175.525 176.094 0.040 0.000 1.045 175 V CA -0.786 61.529 62.300 0.024 0.000 0.905 175 V CB 2.067 33.903 31.823 0.022 0.000 0.997 175 V HN 0.647 nan 8.190 nan 0.000 0.436 176 D N 3.062 123.487 120.400 0.042 0.000 2.428 176 D HA 0.273 4.913 4.640 0.001 0.000 0.221 176 D C 0.389 176.719 176.300 0.051 0.000 1.123 176 D CA -0.009 54.017 54.000 0.043 0.000 0.869 176 D CB 1.248 42.072 40.800 0.040 0.000 1.032 176 D HN 0.568 nan 8.370 nan 0.000 0.506 177 Q N 1.609 121.443 119.800 0.056 0.000 2.198 177 Q HA 0.042 4.383 4.340 0.001 0.000 0.209 177 Q C 1.785 177.789 176.000 0.008 0.000 0.848 177 Q CA -0.143 55.696 55.803 0.060 0.000 0.974 177 Q CB 0.524 29.333 28.738 0.117 0.000 1.115 177 Q HN 0.568 nan 8.270 nan 0.000 0.494 178 S N 1.539 117.243 115.700 0.007 0.000 2.378 178 S HA -0.295 4.176 4.470 0.001 0.000 0.229 178 S C 2.002 176.573 174.600 -0.048 0.000 1.052 178 S CA 1.808 60.003 58.200 -0.009 0.000 1.084 178 S CB -0.968 62.237 63.200 0.007 0.000 0.950 178 S HN 0.659 nan 8.310 nan 0.000 0.440 179 I N -1.106 119.415 120.570 -0.082 0.000 2.399 179 I HA -0.073 4.097 4.170 0.001 0.000 0.254 179 I C 2.200 178.202 176.117 -0.192 0.000 1.146 179 I CA 1.626 62.824 61.300 -0.170 0.000 1.412 179 I CB -0.338 37.440 38.000 -0.371 0.000 1.076 179 I HN 0.262 nan 8.210 nan 0.000 0.432 180 L N 0.242 121.364 121.223 -0.169 0.000 2.577 180 L HA 0.095 4.435 4.340 0.001 0.000 0.225 180 L C 2.299 179.056 176.870 -0.188 0.000 1.053 180 L CA 1.025 55.740 54.840 -0.208 0.000 0.866 180 L CB 0.184 42.075 42.059 -0.280 0.000 1.132 180 L HN 0.433 nan 8.230 nan 0.000 0.486 181 T N -5.359 109.118 114.554 -0.128 0.000 2.985 181 T HA 0.281 4.631 4.350 0.001 0.000 0.254 181 T C 1.439 176.111 174.700 -0.046 0.000 1.021 181 T CA 0.599 62.644 62.100 -0.093 0.000 0.957 181 T CB 1.089 69.925 68.868 -0.054 0.000 1.047 181 T HN 0.315 nan 8.240 nan 0.000 0.511 182 G N 1.884 110.660 108.800 -0.039 0.000 2.253 182 G HA2 -0.263 3.697 3.960 0.001 0.000 0.251 182 G HA3 -0.263 3.697 3.960 0.001 0.000 0.251 182 G C -0.073 174.828 174.900 0.002 0.000 0.998 182 G CA 0.058 45.148 45.100 -0.017 0.000 0.621 182 G HN 0.654 nan 8.290 nan 0.000 0.524 183 E N 1.511 121.718 120.200 0.012 0.000 2.168 183 E HA 0.347 4.697 4.350 0.001 0.000 0.254 183 E C 0.984 177.598 176.600 0.024 0.000 1.228 183 E CA 0.244 56.660 56.400 0.028 0.000 0.956 183 E CB 0.452 30.181 29.700 0.049 0.000 1.031 183 E HN 0.245 nan 8.360 nan 0.000 0.441 184 S N 1.654 117.365 115.700 0.019 0.000 2.603 184 S HA -0.015 4.455 4.470 0.001 0.000 0.229 184 S C 0.530 175.142 174.600 0.020 0.000 0.972 184 S CA 0.066 58.277 58.200 0.018 0.000 0.935 184 S CB 0.275 63.484 63.200 0.015 0.000 0.769 184 S HN 0.196 nan 8.310 nan 0.000 0.536 185 V N 2.798 122.727 119.914 0.024 0.000 2.435 185 V HA 0.315 4.435 4.120 0.001 0.000 0.290 185 V C 0.369 176.487 176.094 0.039 0.000 1.030 185 V CA -1.081 61.235 62.300 0.027 0.000 0.881 185 V CB 1.536 33.373 31.823 0.023 0.000 0.983 185 V HN 0.400 nan 8.190 nan 0.000 0.445 186 S N 4.820 120.542 115.700 0.037 0.000 2.546 186 S HA 0.321 4.791 4.470 0.001 0.000 0.290 186 S C -0.216 174.415 174.600 0.051 0.000 1.290 186 S CA -0.475 57.749 58.200 0.041 0.000 1.069 186 S CB 0.801 64.021 63.200 0.033 0.000 0.846 186 S HN 1.133 nan 8.310 nan 0.000 0.495 187 V N 1.310 121.258 119.914 0.056 0.000 2.630 187 V HA 0.688 4.808 4.120 0.001 0.000 0.305 187 V C -0.127 175.987 176.094 0.035 0.000 1.046 187 V CA -1.340 60.999 62.300 0.066 0.000 0.934 187 V CB 0.743 32.618 31.823 0.087 0.000 1.003 187 V HN 0.787 nan 8.190 nan 0.000 0.451 188 I N 3.240 123.829 120.570 0.030 0.000 2.529 188 I HA 0.493 4.663 4.170 0.001 0.000 0.284 188 I C 0.408 176.441 176.117 -0.140 0.000 1.082 188 I CA 0.408 61.678 61.300 -0.051 0.000 1.406 188 I CB 0.731 38.712 38.000 -0.031 0.000 1.405 188 I HN 0.640 nan 8.210 nan 0.000 0.548 189 K N 4.747 125.014 120.400 -0.221 0.000 2.166 189 K HA 0.606 4.926 4.320 0.001 0.000 0.245 189 K C -0.596 175.748 176.600 -0.425 0.000 0.967 189 K CA -0.602 55.556 56.287 -0.215 0.000 0.863 189 K CB 0.969 33.402 32.500 -0.112 0.000 1.107 189 K HN 0.462 nan 8.250 nan 0.000 0.436 190 H N -1.323 117.746 119.070 -0.002 0.000 2.960 190 H HA 0.318 4.874 4.556 0.001 0.000 0.303 190 H C 0.186 175.502 175.328 -0.020 0.000 1.412 190 H CA -0.185 55.858 56.048 -0.010 0.000 1.227 190 H CB 1.694 31.436 29.762 -0.033 0.000 1.912 190 H HN 0.663 nan 8.280 nan 0.000 0.583 191 T N -2.733 111.900 114.554 0.131 0.000 2.975 191 T HA 0.134 4.485 4.350 0.001 0.000 0.257 191 T C 0.372 175.088 174.700 0.027 0.000 1.003 191 T CA -0.295 61.837 62.100 0.053 0.000 0.932 191 T CB 0.655 69.545 68.868 0.037 0.000 1.087 191 T HN 0.196 nan 8.240 nan 0.000 0.512 192 E N 3.571 123.779 120.200 0.014 0.000 2.404 192 E HA 0.266 4.617 4.350 0.001 0.000 0.261 192 E C -2.363 174.230 176.600 -0.012 0.000 1.074 192 E CA -2.080 54.307 56.400 -0.021 0.000 0.917 192 E CB 0.498 30.157 29.700 -0.068 0.000 0.965 192 E HN 0.319 nan 8.360 nan 0.000 0.433 193 P HA 0.063 nan 4.420 nan 0.000 0.275 193 P C -0.406 176.894 177.300 0.001 0.000 1.227 193 P CA -0.196 62.897 63.100 -0.012 0.000 0.781 193 P CB 0.655 32.337 31.700 -0.030 0.000 0.906 194 V N 6.395 126.338 119.914 0.049 0.000 2.320 194 V HA 0.106 4.226 4.120 0.001 0.000 0.265 194 V C -0.725 175.428 176.094 0.098 0.000 1.048 194 V CA -1.452 60.899 62.300 0.085 0.000 0.865 194 V CB 0.744 32.659 31.823 0.154 0.000 1.043 194 V HN 0.573 nan 8.190 nan 0.000 0.474 195 P HA -0.185 nan 4.420 nan 0.000 0.216 195 P C 0.492 177.819 177.300 0.044 0.000 1.154 195 P CA 1.023 64.134 63.100 0.017 0.000 0.865 195 P CB 0.297 31.995 31.700 -0.003 0.000 0.789 196 D N 0.457 120.904 120.400 0.077 0.000 2.363 196 D HA 0.036 4.677 4.640 0.001 0.000 0.263 196 D C -1.561 174.856 176.300 0.196 0.000 1.258 196 D CA -1.948 52.107 54.000 0.091 0.000 0.907 196 D CB 0.619 41.456 40.800 0.062 0.000 1.107 196 D HN 0.052 nan 8.370 nan 0.000 0.495 197 P HA -0.038 nan 4.420 nan 0.000 0.226 197 P C 0.856 178.285 177.300 0.215 0.000 1.153 197 P CA 0.478 63.674 63.100 0.160 0.000 0.777 197 P CB 0.349 32.072 31.700 0.039 0.000 0.794 198 R N -0.201 120.375 120.500 0.126 0.000 2.633 198 R HA 0.383 4.723 4.340 0.001 0.000 0.348 198 R C -0.144 176.161 176.300 0.008 0.000 1.100 198 R CA -0.597 55.540 56.100 0.063 0.000 1.068 198 R CB -0.522 29.801 30.300 0.037 0.000 1.351 198 R HN 0.000 nan 8.270 nan 0.000 0.575 199 A N 0.980 123.787 122.820 -0.021 0.000 2.511 199 A HA 0.209 4.529 4.320 0.001 0.000 0.242 199 A C 0.814 178.311 177.584 -0.144 0.000 1.069 199 A CA -0.184 51.792 52.037 -0.102 0.000 0.763 199 A CB 0.219 19.118 19.000 -0.168 0.000 1.001 199 A HN 0.186 nan 8.150 nan 0.000 0.498 200 V N 1.455 121.315 119.914 -0.091 0.000 3.133 200 V HA 0.170 4.290 4.120 0.001 0.000 0.305 200 V C 1.192 177.228 176.094 -0.097 0.000 1.084 200 V CA -0.329 61.914 62.300 -0.095 0.000 1.089 200 V CB 0.220 32.000 31.823 -0.072 0.000 1.073 200 V HN 0.856 nan 8.190 nan 0.000 0.477 201 N N 0.879 119.504 118.700 -0.126 0.000 2.091 201 N HA -0.255 4.486 4.740 0.001 0.000 0.193 201 N C 1.681 177.208 175.510 0.028 0.000 1.021 201 N CA 2.219 55.199 53.050 -0.117 0.000 0.862 201 N CB -0.560 37.627 38.487 -0.499 0.000 1.018 201 N HN 0.943 nan 8.380 nan 0.000 0.429 202 Q N 0.377 120.166 119.800 -0.017 0.000 2.181 202 Q HA -0.140 4.201 4.340 0.001 0.000 0.205 202 Q C 0.099 176.138 176.000 0.064 0.000 0.980 202 Q CA 1.405 57.233 55.803 0.041 0.000 0.862 202 Q CB 0.121 28.874 28.738 0.024 0.000 0.905 202 Q HN 0.330 nan 8.270 nan 0.000 0.429 203 D N -0.205 120.212 120.400 0.029 0.000 2.339 203 D HA 0.022 4.663 4.640 0.001 0.000 0.217 203 D C -0.247 176.062 176.300 0.016 0.000 1.050 203 D CA 0.357 54.367 54.000 0.018 0.000 0.856 203 D CB 0.248 41.042 40.800 -0.009 0.000 0.922 203 D HN 0.145 nan 8.370 nan 0.000 0.518 204 K N 1.813 122.238 120.400 0.043 0.000 2.278 204 K HA 0.087 4.407 4.320 0.001 0.000 0.237 204 K C 1.051 177.678 176.600 0.046 0.000 1.229 204 K CA -0.157 56.152 56.287 0.035 0.000 1.155 204 K CB 0.514 33.065 32.500 0.086 0.000 1.590 204 K HN -0.190 nan 8.250 nan 0.000 0.290 205 K N 0.720 121.148 120.400 0.046 0.000 2.442 205 K HA -0.133 4.188 4.320 0.001 0.000 0.198 205 K C 0.764 177.375 176.600 0.018 0.000 1.044 205 K CA 0.976 57.292 56.287 0.048 0.000 0.948 205 K CB -0.095 32.458 32.500 0.089 0.000 0.762 205 K HN 0.487 nan 8.250 nan 0.000 0.472 206 N N -0.325 118.380 118.700 0.007 0.000 2.214 206 N HA 0.041 4.782 4.740 0.001 0.000 0.214 206 N C -0.028 175.435 175.510 -0.079 0.000 1.132 206 N CA -0.036 53.007 53.050 -0.012 0.000 0.856 206 N CB 0.259 38.759 38.487 0.021 0.000 1.020 206 N HN -0.116 nan 8.380 nan 0.000 0.509 207 M N 0.602 120.095 119.600 -0.178 0.000 2.598 207 M HA 0.465 4.946 4.480 0.001 0.000 0.317 207 M C -0.805 175.164 176.300 -0.552 0.000 1.179 207 M CA -0.617 54.462 55.300 -0.368 0.000 0.936 207 M CB 2.164 34.447 32.600 -0.528 0.000 1.713 207 M HN -0.065 nan 8.290 nan 0.000 0.460 208 L N 2.203 123.119 121.223 -0.512 0.000 2.333 208 L HA 0.541 4.881 4.340 0.001 0.000 0.280 208 L C -1.224 175.358 176.870 -0.481 0.000 1.004 208 L CA -0.499 54.098 54.840 -0.405 0.000 0.820 208 L CB 1.356 43.309 42.059 -0.176 0.000 1.247 208 L HN 0.460 nan 8.230 nan 0.000 0.416 209 F N 0.860 120.804 119.950 -0.010 0.000 2.404 209 F HA 0.264 4.791 4.527 0.001 0.000 0.339 209 F C 1.043 176.835 175.800 -0.014 0.000 1.105 209 F CA -0.349 57.641 58.000 -0.016 0.000 1.087 209 F CB 1.639 40.621 39.000 -0.031 0.000 1.143 209 F HN 0.355 nan 8.300 nan 0.000 0.491 210 S N 1.764 117.562 115.700 0.164 0.000 2.546 210 S HA 0.373 4.843 4.470 0.001 0.000 0.290 210 S C 1.076 175.735 174.600 0.100 0.000 1.290 210 S CA 0.845 59.106 58.200 0.101 0.000 1.069 210 S CB -0.077 63.173 63.200 0.083 0.000 0.846 210 S HN 1.213 nan 8.310 nan 0.000 0.495 211 G N 3.353 112.212 108.800 0.097 0.000 2.213 211 G HA2 -0.212 3.749 3.960 0.001 0.000 0.236 211 G HA3 -0.212 3.749 3.960 0.001 0.000 0.236 211 G C 0.371 175.327 174.900 0.092 0.000 0.991 211 G CA 0.266 45.436 45.100 0.117 0.000 0.629 211 G HN 0.865 nan 8.290 nan 0.000 0.517 212 T N 1.689 116.292 114.554 0.081 0.000 2.824 212 T HA 0.589 4.939 4.350 0.001 0.000 0.277 212 T C 0.032 174.776 174.700 0.073 0.000 0.975 212 T CA -0.172 61.973 62.100 0.075 0.000 0.966 212 T CB 0.815 69.751 68.868 0.113 0.000 1.054 212 T HN 0.330 nan 8.240 nan 0.000 0.533 213 N N 0.921 119.658 118.700 0.062 0.000 2.229 213 N HA 0.373 5.113 4.740 0.001 0.000 0.298 213 N C -1.123 174.408 175.510 0.035 0.000 1.114 213 N CA -0.670 52.410 53.050 0.049 0.000 0.776 213 N CB 1.567 40.086 38.487 0.053 0.000 1.501 213 N HN 0.329 nan 8.380 nan 0.000 0.474 214 I N 1.510 122.095 120.570 0.025 0.000 2.396 214 I HA 0.127 4.298 4.170 0.001 0.000 0.289 214 I C 1.423 177.551 176.117 0.018 0.000 1.056 214 I CA -0.044 61.265 61.300 0.016 0.000 1.365 214 I CB 0.511 38.516 38.000 0.009 0.000 1.407 214 I HN 0.649 nan 8.210 nan 0.000 0.509 215 A N 5.559 128.390 122.820 0.018 0.000 1.997 215 A HA 0.600 4.921 4.320 0.001 0.000 0.212 215 A C 0.939 178.533 177.584 0.016 0.000 1.178 215 A CA 0.793 52.841 52.037 0.019 0.000 0.698 215 A CB 0.224 19.237 19.000 0.022 0.000 0.842 215 A HN 0.796 nan 8.150 nan 0.000 0.458 216 A N -2.380 120.448 122.820 0.013 0.000 2.577 216 A HA 0.644 4.965 4.320 0.001 0.000 0.297 216 A C 0.241 177.830 177.584 0.008 0.000 1.060 216 A CA 0.165 52.209 52.037 0.012 0.000 0.697 216 A CB 0.099 19.108 19.000 0.015 0.000 1.281 216 A HN 2.137 nan 8.150 nan 0.000 0.402 217 G N 0.335 109.141 108.800 0.009 0.000 2.610 217 G HA2 0.345 4.305 3.960 0.001 0.000 0.304 217 G HA3 0.345 4.305 3.960 0.001 0.000 0.304 217 G C -0.587 174.318 174.900 0.008 0.000 1.309 217 G CA -0.029 45.075 45.100 0.008 0.000 0.906 217 G HN 1.415 nan 8.290 nan 0.000 0.521 218 K N -0.648 119.757 120.400 0.009 0.000 2.525 218 K HA 0.760 5.080 4.320 0.001 0.000 0.254 218 K C -0.537 176.072 176.600 0.014 0.000 0.934 218 K CA -0.084 56.212 56.287 0.014 0.000 0.802 218 K CB 1.707 34.219 32.500 0.021 0.000 1.295 218 K HN 2.096 nan 8.250 nan 0.000 0.433 219 A N 2.865 125.696 122.820 0.017 0.000 2.606 219 A HA 0.679 5.000 4.320 0.001 0.000 0.293 219 A C -2.219 175.385 177.584 0.032 0.000 1.082 219 A CA -0.734 51.313 52.037 0.017 0.000 0.685 219 A CB 1.543 20.542 19.000 -0.001 0.000 1.284 219 A HN 0.559 nan 8.150 nan 0.000 0.408 220 L N 0.697 121.940 121.223 0.035 0.000 2.334 220 L HA 0.908 5.249 4.340 0.001 0.000 0.276 220 L C 0.313 177.200 176.870 0.027 0.000 1.014 220 L CA 0.627 55.499 54.840 0.054 0.000 0.815 220 L CB 1.930 44.020 42.059 0.052 0.000 1.268 220 L HN 1.279 nan 8.230 nan 0.000 0.428 221 G N 3.896 112.712 108.800 0.027 0.000 2.687 221 G HA2 0.476 4.436 3.960 0.001 0.000 0.291 221 G HA3 0.476 4.436 3.960 0.001 0.000 0.291 221 G C -2.033 172.869 174.900 0.003 0.000 1.420 221 G CA -0.602 44.501 45.100 0.006 0.000 0.796 221 G HN 0.736 nan 8.290 nan 0.000 0.485 222 I N 0.611 121.177 120.570 -0.007 0.000 2.433 222 I HA 0.534 4.704 4.170 0.001 0.000 0.292 222 I C -0.289 175.789 176.117 -0.065 0.000 1.001 222 I CA -1.001 60.282 61.300 -0.029 0.000 1.119 222 I CB 1.838 39.847 38.000 0.015 0.000 1.289 222 I HN 0.243 nan 8.210 nan 0.000 0.438 223 V N 8.493 128.327 119.914 -0.133 0.000 2.450 223 V HA 0.076 4.197 4.120 0.001 0.000 0.281 223 V C 1.140 177.126 176.094 -0.179 0.000 1.019 223 V CA 0.784 62.993 62.300 -0.151 0.000 1.062 223 V CB 0.522 32.240 31.823 -0.175 0.000 0.979 223 V HN 0.980 nan 8.190 nan 0.000 0.477 224 A N 4.792 127.577 122.820 -0.059 0.000 1.887 224 A HA 0.268 4.589 4.320 0.001 0.000 0.212 224 A C 1.086 178.675 177.584 0.008 0.000 1.198 224 A CA 1.168 53.230 52.037 0.040 0.000 0.628 224 A CB 0.129 19.157 19.000 0.046 0.000 0.847 224 A HN 0.853 nan 8.150 nan 0.000 0.449 225 T N -3.364 111.172 114.554 -0.030 0.000 2.843 225 T HA 0.601 4.952 4.350 0.001 0.000 0.302 225 T C -0.527 174.154 174.700 -0.032 0.000 1.232 225 T CA 0.101 62.178 62.100 -0.038 0.000 1.009 225 T CB 1.610 70.488 68.868 0.016 0.000 1.254 225 T HN 0.772 nan 8.240 nan 0.000 0.504 226 T N -2.285 112.258 114.554 -0.019 0.000 2.778 226 T HA 0.811 5.161 4.350 0.001 0.000 0.293 226 T C 0.928 175.655 174.700 0.045 0.000 1.144 226 T CA 0.096 62.203 62.100 0.011 0.000 1.010 226 T CB 1.026 69.896 68.868 0.003 0.000 1.325 226 T HN 2.253 nan 8.240 nan 0.000 0.515 227 G N 0.265 109.100 108.800 0.058 0.000 2.596 227 G HA2 -0.298 3.663 3.960 0.001 0.000 0.295 227 G HA3 -0.298 3.663 3.960 0.001 0.000 0.295 227 G C 1.124 176.060 174.900 0.059 0.000 1.240 227 G CA 1.716 46.857 45.100 0.068 0.000 0.985 227 G HN 2.150 nan 8.290 nan 0.000 0.555 228 V N -2.054 117.896 119.914 0.060 0.000 3.305 228 V HA 0.230 4.350 4.120 0.001 0.000 0.269 228 V C 2.220 178.342 176.094 0.047 0.000 1.157 228 V CA 2.634 64.963 62.300 0.049 0.000 1.157 228 V CB 0.085 31.935 31.823 0.045 0.000 0.772 228 V HN 0.829 nan 8.190 nan 0.000 0.498 229 S N 0.833 116.566 115.700 0.055 0.000 2.593 229 S HA 0.071 4.541 4.470 0.001 0.000 0.217 229 S C 1.132 175.763 174.600 0.051 0.000 0.966 229 S CA 0.667 58.899 58.200 0.053 0.000 0.914 229 S CB -0.380 62.857 63.200 0.063 0.000 0.776 229 S HN 0.949 nan 8.310 nan 0.000 0.523 230 T N 0.040 114.626 114.554 0.052 0.000 2.788 230 T HA 0.299 4.649 4.350 0.001 0.000 0.280 230 T C 1.041 175.773 174.700 0.053 0.000 0.984 230 T CA -0.620 61.521 62.100 0.068 0.000 0.972 230 T CB 0.669 69.581 68.868 0.073 0.000 1.039 230 T HN -0.143 nan 8.240 nan 0.000 0.530 231 E N 0.061 120.300 120.200 0.066 0.000 2.051 231 E HA -0.089 4.261 4.350 0.001 0.000 0.192 231 E C 1.908 178.481 176.600 -0.046 0.000 0.991 231 E CA 1.008 57.394 56.400 -0.024 0.000 0.799 231 E CB -0.462 29.155 29.700 -0.138 0.000 0.748 231 E HN 0.741 nan 8.360 nan 0.000 0.449 232 I N 0.582 121.137 120.570 -0.026 0.000 2.394 232 I HA -0.143 4.028 4.170 0.001 0.000 0.251 232 I C 2.058 178.173 176.117 -0.002 0.000 1.136 232 I CA 1.374 62.656 61.300 -0.030 0.000 1.425 232 I CB -0.148 37.843 38.000 -0.015 0.000 1.079 232 I HN 0.068 nan 8.210 nan 0.000 0.425 233 G N 0.349 109.160 108.800 0.017 0.000 2.408 233 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 233 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 233 G C 1.682 176.590 174.900 0.013 0.000 1.150 233 G CA 0.523 45.638 45.100 0.024 0.000 0.776 233 G HN 0.303 nan 8.290 nan 0.000 0.542 234 K N -0.165 120.237 120.400 0.004 0.000 2.148 234 K HA 0.149 4.469 4.320 0.001 0.000 0.204 234 K C 2.296 178.886 176.600 -0.018 0.000 1.050 234 K CA 0.514 56.798 56.287 -0.005 0.000 0.942 234 K CB -0.152 32.342 32.500 -0.011 0.000 0.724 234 K HN 0.309 nan 8.250 nan 0.000 0.446 235 I N 0.728 121.281 120.570 -0.028 0.000 2.315 235 I HA -0.239 3.931 4.170 0.001 0.000 0.248 235 I C 2.590 178.697 176.117 -0.017 0.000 1.117 235 I CA 0.774 62.053 61.300 -0.034 0.000 1.404 235 I CB -0.105 37.865 38.000 -0.051 0.000 1.071 235 I HN 0.152 nan 8.210 nan 0.000 0.419 236 R N 1.128 121.625 120.500 -0.004 0.000 2.092 236 R HA -0.169 4.171 4.340 0.001 0.000 0.231 236 R C 1.471 177.774 176.300 0.004 0.000 1.119 236 R CA 1.778 57.882 56.100 0.006 0.000 0.970 236 R CB -0.431 29.880 30.300 0.019 0.000 0.864 236 R HN 0.279 nan 8.270 nan 0.000 0.440 237 D N 0.636 121.038 120.400 0.003 0.000 2.149 237 D HA -0.102 4.538 4.640 0.001 0.000 0.201 237 D C 2.044 178.341 176.300 -0.005 0.000 0.972 237 D CA 0.981 54.983 54.000 0.003 0.000 0.835 237 D CB -0.076 40.728 40.800 0.007 0.000 0.966 237 D HN 0.341 nan 8.370 nan 0.000 0.476 238 Q N -0.313 119.481 119.800 -0.012 0.000 2.050 238 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 238 Q C 2.294 178.284 176.000 -0.017 0.000 0.980 238 Q CA 1.065 56.857 55.803 -0.018 0.000 0.840 238 Q CB -0.052 28.669 28.738 -0.028 0.000 0.898 238 Q HN 0.303 nan 8.270 nan 0.000 0.424 239 M N -0.166 119.426 119.600 -0.014 0.000 2.086 239 M HA -0.185 4.295 4.480 0.001 0.000 0.261 239 M C 2.352 178.648 176.300 -0.008 0.000 1.067 239 M CA 1.561 56.854 55.300 -0.011 0.000 1.116 239 M CB -0.336 32.260 32.600 -0.007 0.000 1.348 239 M HN 0.259 nan 8.290 nan 0.000 0.407 240 A N 0.109 122.927 122.820 -0.004 0.000 1.972 240 A HA -0.010 4.311 4.320 0.001 0.000 0.219 240 A C 2.152 179.734 177.584 -0.004 0.000 1.169 240 A CA 1.793 53.829 52.037 -0.002 0.000 0.635 240 A CB -0.766 18.236 19.000 0.003 0.000 0.810 240 A HN 0.530 nan 8.150 nan 0.000 0.446 241 A N -1.063 121.753 122.820 -0.006 0.000 2.251 241 A HA 0.314 4.635 4.320 0.001 0.000 0.209 241 A C 0.848 178.424 177.584 -0.012 0.000 1.187 241 A CA 0.560 52.592 52.037 -0.008 0.000 0.823 241 A CB -0.429 18.566 19.000 -0.009 0.000 0.846 241 A HN 0.260 nan 8.150 nan 0.000 0.486 242 T N 1.997 116.544 114.554 -0.013 0.000 2.743 242 T HA 0.333 4.683 4.350 0.001 0.000 0.293 242 T C -0.461 174.232 174.700 -0.012 0.000 0.945 242 T CA -0.125 61.966 62.100 -0.016 0.000 1.030 242 T CB 0.661 69.519 68.868 -0.018 0.000 0.912 242 T HN 0.447 nan 8.240 nan 0.000 0.483 243 E N 2.857 123.050 120.200 -0.012 0.000 2.109 243 E HA 0.264 4.614 4.350 0.001 0.000 0.278 243 E C -0.410 176.185 176.600 -0.009 0.000 0.954 243 E CA -0.689 55.705 56.400 -0.009 0.000 0.779 243 E CB 1.340 31.035 29.700 -0.008 0.000 1.093 243 E HN 0.411 nan 8.360 nan 0.000 0.401 244 Q N 3.295 123.090 119.800 -0.008 0.000 2.296 244 Q HA 0.075 4.415 4.340 0.001 0.000 0.257 244 Q C -0.628 175.369 176.000 -0.005 0.000 0.942 244 Q CA -0.300 55.499 55.803 -0.008 0.000 0.939 244 Q CB 0.697 29.430 28.738 -0.008 0.000 1.198 244 Q HN 0.349 nan 8.270 nan 0.000 0.429 245 D N 2.999 123.397 120.400 -0.005 0.000 2.361 245 D HA 0.066 4.706 4.640 0.001 0.000 0.239 245 D C -0.280 176.019 176.300 -0.001 0.000 1.200 245 D CA 0.126 54.125 54.000 -0.002 0.000 0.915 245 D CB 0.729 41.528 40.800 -0.001 0.000 1.170 245 D HN 0.476 nan 8.370 nan 0.000 0.444 246 K N 0.218 120.619 120.400 0.002 0.000 2.258 246 K HA 0.120 4.440 4.320 0.001 0.000 0.264 246 K C 0.623 177.223 176.600 0.001 0.000 1.007 246 K CA -0.265 56.025 56.287 0.004 0.000 0.941 246 K CB 0.545 33.051 32.500 0.010 0.000 0.966 246 K HN 0.468 nan 8.250 nan 0.000 0.480 247 T N -0.378 114.176 114.554 0.000 0.000 2.795 247 T HA 0.044 4.395 4.350 0.001 0.000 0.314 247 T C -1.874 172.821 174.700 -0.008 0.000 1.069 247 T CA -1.389 60.705 62.100 -0.009 0.000 1.071 247 T CB 0.584 69.447 68.868 -0.009 0.000 0.988 247 T HN 0.268 nan 8.240 nan 0.000 0.543 248 P HA -0.076 nan 4.420 nan 0.000 0.215 248 P C 1.729 179.032 177.300 0.006 0.000 1.157 248 P CA 0.390 63.475 63.100 -0.026 0.000 0.868 248 P CB -0.074 31.578 31.700 -0.079 0.000 0.788 249 L N -0.182 121.050 121.223 0.015 0.000 2.046 249 L HA -0.187 4.153 4.340 0.001 0.000 0.208 249 L C 2.227 179.130 176.870 0.055 0.000 1.077 249 L CA 1.911 56.791 54.840 0.067 0.000 0.747 249 L CB -1.562 40.564 42.059 0.111 0.000 0.896 249 L HN -0.048 nan 8.230 nan 0.000 0.432 250 Q N -1.050 118.774 119.800 0.041 0.000 2.135 250 Q HA -0.261 4.079 4.340 0.001 0.000 0.204 250 Q C 2.213 178.240 176.000 0.045 0.000 0.981 250 Q CA 2.038 57.866 55.803 0.041 0.000 0.856 250 Q CB -0.164 28.590 28.738 0.028 0.000 0.902 250 Q HN 0.674 nan 8.270 nan 0.000 0.425 251 Q N -0.020 119.803 119.800 0.039 0.000 2.083 251 Q HA -0.104 4.236 4.340 0.001 0.000 0.198 251 Q C 1.974 178.011 176.000 0.061 0.000 0.969 251 Q CA 0.695 56.523 55.803 0.042 0.000 0.838 251 Q CB 0.136 28.893 28.738 0.030 0.000 0.900 251 Q HN 0.128 nan 8.270 nan 0.000 0.436 252 K N 0.585 121.025 120.400 0.066 0.000 2.057 252 K HA -0.113 4.207 4.320 0.001 0.000 0.206 252 K C 2.039 178.711 176.600 0.120 0.000 1.050 252 K CA 0.738 57.076 56.287 0.086 0.000 0.935 252 K CB -0.329 32.215 32.500 0.074 0.000 0.715 252 K HN 0.120 nan 8.250 nan 0.000 0.439 253 L N 2.075 123.360 121.223 0.103 0.000 2.046 253 L HA -0.185 4.155 4.340 0.001 0.000 0.208 253 L C 1.752 178.730 176.870 0.180 0.000 1.077 253 L CA 1.775 56.701 54.840 0.143 0.000 0.747 253 L CB -0.581 41.535 42.059 0.095 0.000 0.896 253 L HN 0.148 nan 8.230 nan 0.000 0.432 254 D N -1.097 119.371 120.400 0.113 0.000 2.144 254 D HA -0.204 4.436 4.640 0.001 0.000 0.200 254 D C 2.038 178.388 176.300 0.084 0.000 0.978 254 D CA 1.082 55.132 54.000 0.084 0.000 0.833 254 D CB 0.116 40.948 40.800 0.053 0.000 0.961 254 D HN 0.523 nan 8.370 nan 0.000 0.470 255 E N -0.057 120.205 120.200 0.103 0.000 2.106 255 E HA -0.191 4.159 4.350 0.001 0.000 0.192 255 E C 2.025 178.700 176.600 0.125 0.000 0.984 255 E CA 0.521 56.979 56.400 0.097 0.000 0.806 255 E CB -0.248 29.513 29.700 0.101 0.000 0.750 255 E HN 0.167 nan 8.360 nan 0.000 0.458 256 F N 1.313 121.278 119.950 0.025 0.000 2.102 256 F HA -0.012 4.515 4.527 0.001 0.000 0.298 256 F C 2.005 177.813 175.800 0.014 0.000 1.105 256 F CA 2.073 60.087 58.000 0.022 0.000 1.239 256 F CB -0.850 38.160 39.000 0.017 0.000 0.991 256 F HN 0.078 nan 8.300 nan 0.000 0.474 257 G N 0.227 108.968 108.800 -0.098 0.000 2.459 257 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 257 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 257 G C 1.546 176.338 174.900 -0.180 0.000 1.183 257 G CA 0.938 45.918 45.100 -0.201 0.000 0.776 257 G HN 0.343 nan 8.290 nan 0.000 0.552 258 E N 0.553 120.703 120.200 -0.084 0.000 2.049 258 E HA -0.148 4.202 4.350 0.001 0.000 0.198 258 E C 2.751 179.299 176.600 -0.087 0.000 1.007 258 E CA 1.045 57.408 56.400 -0.062 0.000 0.809 258 E CB -0.454 29.235 29.700 -0.019 0.000 0.749 258 E HN 0.373 nan 8.360 nan 0.000 0.450 259 Q N 0.214 119.961 119.800 -0.089 0.000 2.084 259 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 259 Q C 2.390 178.299 176.000 -0.152 0.000 0.978 259 Q CA 0.665 56.420 55.803 -0.081 0.000 0.844 259 Q CB -0.626 28.101 28.738 -0.019 0.000 0.898 259 Q HN 0.213 nan 8.270 nan 0.000 0.426 260 L N 0.637 121.672 121.223 -0.314 0.000 2.042 260 L HA -0.142 4.199 4.340 0.001 0.000 0.210 260 L C 2.404 179.153 176.870 -0.202 0.000 1.076 260 L CA 2.040 56.665 54.840 -0.358 0.000 0.749 260 L CB -0.967 40.698 42.059 -0.657 0.000 0.893 260 L HN 0.136 nan 8.230 nan 0.000 0.432 261 S N -1.085 114.514 115.700 -0.169 0.000 2.383 261 S HA -0.255 4.215 4.470 0.001 0.000 0.229 261 S C 2.155 176.710 174.600 -0.075 0.000 1.030 261 S CA 1.668 59.807 58.200 -0.102 0.000 1.002 261 S CB -0.263 62.890 63.200 -0.078 0.000 0.829 261 S HN 0.463 nan 8.310 nan 0.000 0.467 262 K N 0.747 121.103 120.400 -0.073 0.000 2.062 262 K HA 0.095 4.416 4.320 0.001 0.000 0.205 262 K C 1.829 178.400 176.600 -0.049 0.000 1.051 262 K CA 1.447 57.704 56.287 -0.049 0.000 0.941 262 K CB -0.626 31.852 32.500 -0.037 0.000 0.719 262 K HN 0.268 nan 8.250 nan 0.000 0.440 263 V N 0.988 120.864 119.914 -0.063 0.000 2.358 263 V HA -0.203 3.918 4.120 0.001 0.000 0.246 263 V C 2.201 178.256 176.094 -0.065 0.000 1.047 263 V CA 1.709 63.972 62.300 -0.061 0.000 1.035 263 V CB -0.376 31.407 31.823 -0.068 0.000 0.658 263 V HN 0.278 nan 8.190 nan 0.000 0.452 264 I N 1.072 121.602 120.570 -0.067 0.000 2.163 264 I HA -0.264 3.907 4.170 0.001 0.000 0.243 264 I C 2.772 178.870 176.117 -0.032 0.000 1.085 264 I CA 1.954 63.224 61.300 -0.050 0.000 1.347 264 I CB -0.542 37.428 38.000 -0.050 0.000 1.044 264 I HN 0.511 nan 8.210 nan 0.000 0.408 265 S N 1.215 116.895 115.700 -0.034 0.000 2.368 265 S HA -0.157 4.313 4.470 0.001 0.000 0.225 265 S C 2.072 176.663 174.600 -0.016 0.000 1.030 265 S CA 0.868 59.053 58.200 -0.025 0.000 0.999 265 S CB -0.657 62.525 63.200 -0.030 0.000 0.844 265 S HN 0.273 nan 8.310 nan 0.000 0.459 266 L N 1.373 122.583 121.223 -0.022 0.000 2.083 266 L HA 0.063 4.403 4.340 0.001 0.000 0.209 266 L C 2.522 179.391 176.870 -0.003 0.000 1.083 266 L CA 1.491 56.323 54.840 -0.012 0.000 0.752 266 L CB -1.217 40.827 42.059 -0.024 0.000 0.899 266 L HN 0.429 nan 8.230 nan 0.000 0.433 267 I N -1.196 119.357 120.570 -0.028 0.000 2.394 267 I HA -0.309 3.861 4.170 0.001 0.000 0.251 267 I C 2.614 178.790 176.117 0.099 0.000 1.136 267 I CA 0.706 61.992 61.300 -0.024 0.000 1.425 267 I CB -0.289 37.668 38.000 -0.070 0.000 1.079 267 I HN 0.299 nan 8.210 nan 0.000 0.425 268 C N 0.115 119.458 119.300 0.071 0.000 2.440 268 C HA -0.084 4.376 4.460 0.001 0.000 0.278 268 C C 2.824 177.909 174.990 0.159 0.000 1.295 268 C CA 0.398 59.474 59.018 0.097 0.000 1.738 268 C CB -0.659 27.100 27.740 0.031 0.000 1.987 268 C HN 0.343 nan 8.230 nan 0.000 0.492 269 V N 1.168 121.154 119.914 0.119 0.000 2.667 269 V HA -0.104 4.017 4.120 0.001 0.000 0.252 269 V C 2.555 178.814 176.094 0.276 0.000 1.065 269 V CA 1.899 64.295 62.300 0.161 0.000 1.083 269 V CB -1.078 30.787 31.823 0.069 0.000 0.692 269 V HN 0.591 nan 8.190 nan 0.000 0.468 270 A N -0.104 122.855 122.820 0.232 0.000 1.898 270 A HA -0.071 4.249 4.320 0.001 0.000 0.214 270 A C 2.293 180.085 177.584 0.346 0.000 1.183 270 A CA 1.447 53.649 52.037 0.274 0.000 0.622 270 A CB -0.492 18.646 19.000 0.231 0.000 0.824 270 A HN 0.314 nan 8.150 nan 0.000 0.444 271 V N -2.015 118.116 119.914 0.362 0.000 2.720 271 V HA -0.233 3.887 4.120 0.001 0.000 0.256 271 V C 2.049 178.346 176.094 0.337 0.000 1.082 271 V CA 1.747 64.212 62.300 0.275 0.000 1.101 271 V CB -0.799 31.134 31.823 0.183 0.000 0.693 271 V HN 0.845 nan 8.190 nan 0.000 0.479 272 W N 0.225 121.650 121.300 0.208 0.000 2.480 272 W HA -0.003 4.657 4.660 0.001 0.000 0.299 272 W C 2.080 178.701 176.519 0.170 0.000 1.187 272 W CA 1.035 58.513 57.345 0.222 0.000 1.347 272 W CB -0.145 29.401 29.460 0.143 0.000 1.121 272 W HN 0.124 nan 8.180 nan 0.000 0.533 273 L N 0.542 121.925 121.223 0.267 0.000 2.046 273 L HA -0.221 4.120 4.340 0.001 0.000 0.208 273 L C 2.240 179.080 176.870 -0.051 0.000 1.077 273 L CA 1.354 56.214 54.840 0.034 0.000 0.747 273 L CB -0.826 41.346 42.059 0.189 0.000 0.896 273 L HN -0.025 nan 8.230 nan 0.000 0.432 274 I N -0.466 120.133 120.570 0.048 0.000 3.083 274 I HA -0.198 3.972 4.170 0.001 0.000 0.273 274 I C 0.847 176.955 176.117 -0.015 0.000 1.297 274 I CA 1.177 62.490 61.300 0.021 0.000 1.452 274 I CB -0.333 37.695 38.000 0.047 0.000 1.078 274 I HN 0.350 nan 8.210 nan 0.000 0.484 275 N N 0.062 118.748 118.700 -0.024 0.000 2.365 275 N HA 0.286 5.026 4.740 0.001 0.000 0.257 275 N C 1.210 176.681 175.510 -0.066 0.000 1.287 275 N CA -0.109 52.958 53.050 0.027 0.000 0.882 275 N CB 0.745 39.403 38.487 0.284 0.000 1.250 275 N HN 0.200 nan 8.380 nan 0.000 0.507 276 I N 0.070 120.490 120.570 -0.251 0.000 2.830 276 I HA -0.053 4.117 4.170 0.001 0.000 0.263 276 I C 2.390 178.477 176.117 -0.051 0.000 1.230 276 I CA 0.685 61.776 61.300 -0.348 0.000 1.480 276 I CB -0.106 37.555 38.000 -0.566 0.000 1.095 276 I HN 0.227 nan 8.210 nan 0.000 0.455 277 G N 0.018 108.776 108.800 -0.071 0.000 2.498 277 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 277 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 277 G C 1.426 176.325 174.900 -0.001 0.000 1.119 277 G CA 0.383 45.452 45.100 -0.052 0.000 0.766 277 G HN 0.397 nan 8.290 nan 0.000 0.552 278 H N -0.542 118.558 119.070 0.050 0.000 2.518 278 H HA 0.006 4.562 4.556 0.001 0.000 0.289 278 H C 1.703 177.000 175.328 -0.052 0.000 1.051 278 H CA 0.520 56.559 56.048 -0.015 0.000 1.280 278 H CB -0.036 29.664 29.762 -0.103 0.000 1.380 278 H HN 0.421 nan 8.280 nan 0.000 0.566 279 F N 0.383 120.325 119.950 -0.013 0.000 2.558 279 F HA -0.018 4.510 4.527 0.001 0.000 0.298 279 F C 1.794 177.602 175.800 0.015 0.000 1.119 279 F CA 0.379 58.367 58.000 -0.020 0.000 1.451 279 F CB 0.083 39.055 39.000 -0.047 0.000 1.091 279 F HN 0.066 nan 8.300 nan 0.000 0.563 280 N N -0.198 118.603 118.700 0.167 0.000 2.322 280 N HA -0.021 4.719 4.740 0.001 0.000 0.194 280 N C -0.286 175.279 175.510 0.092 0.000 1.126 280 N CA 0.371 53.484 53.050 0.106 0.000 0.845 280 N CB -0.048 38.476 38.487 0.061 0.000 0.976 280 N HN 0.201 nan 8.380 nan 0.000 0.475 281 D N 1.619 122.083 120.400 0.108 0.000 2.253 281 D HA 0.222 4.863 4.640 0.001 0.000 0.249 281 D C -1.874 174.515 176.300 0.148 0.000 1.049 281 D CA -1.101 52.975 54.000 0.126 0.000 0.929 281 D CB 1.140 42.044 40.800 0.173 0.000 1.176 281 D HN 0.076 nan 8.370 nan 0.000 0.437 282 P HA -0.041 nan 4.420 nan 0.000 0.268 282 P C 0.935 178.365 177.300 0.217 0.000 1.205 282 P CA -0.296 62.903 63.100 0.165 0.000 0.771 282 P CB 1.183 32.966 31.700 0.139 0.000 0.858 283 V N 2.872 122.919 119.914 0.221 0.000 2.490 283 V HA -0.176 3.944 4.120 0.001 0.000 0.250 283 V C 0.640 176.673 176.094 -0.102 0.000 1.061 283 V CA 1.713 64.123 62.300 0.183 0.000 1.064 283 V CB -1.125 30.756 31.823 0.097 0.000 0.670 283 V HN 0.562 nan 8.190 nan 0.000 0.461 284 H N -0.099 118.950 119.070 -0.036 0.000 2.487 284 H HA 0.618 5.174 4.556 0.001 0.000 0.333 284 H C 0.424 175.724 175.328 -0.046 0.000 1.114 284 H CA 0.526 56.514 56.048 -0.100 0.000 1.310 284 H CB 1.041 30.762 29.762 -0.068 0.000 1.462 284 H HN 0.615 nan 8.280 nan 0.000 0.516 285 G N 0.550 109.359 108.800 0.015 0.000 2.712 285 G HA2 0.420 4.380 3.960 0.001 0.000 0.686 285 G HA3 0.420 4.380 3.960 0.001 0.000 0.686 285 G C 0.008 174.930 174.900 0.037 0.000 1.181 285 G CA -0.289 44.831 45.100 0.034 0.000 0.762 285 G HN 1.289 nan 8.290 nan 0.000 0.641 286 G N -0.400 108.429 108.800 0.048 0.000 2.750 286 G HA2 0.309 4.269 3.960 0.001 0.000 0.686 286 G HA3 0.309 4.269 3.960 0.001 0.000 0.686 286 G C 0.121 175.066 174.900 0.076 0.000 1.395 286 G CA 0.464 45.618 45.100 0.090 0.000 0.918 286 G HN 2.037 nan 8.290 nan 0.000 0.594 287 S N 1.510 117.266 115.700 0.093 0.000 2.416 287 S HA 0.336 4.806 4.470 0.001 0.000 0.287 287 S C 0.846 175.588 174.600 0.236 0.000 1.139 287 S CA -0.278 57.981 58.200 0.099 0.000 1.058 287 S CB 0.609 63.846 63.200 0.061 0.000 0.967 287 S HN 0.546 nan 8.310 nan 0.000 0.495 288 W N 2.415 123.694 121.300 -0.035 0.000 2.425 288 W HA 0.022 4.682 4.660 0.001 0.000 0.277 288 W C 1.775 178.294 176.519 -0.001 0.000 1.231 288 W CA -0.389 56.927 57.345 -0.049 0.000 1.248 288 W CB -0.648 28.774 29.460 -0.063 0.000 1.117 288 W HN 0.659 nan 8.180 nan 0.000 0.568 289 I N 0.696 121.418 120.570 0.254 0.000 2.406 289 I HA -0.137 4.034 4.170 0.001 0.000 0.249 289 I C 2.281 178.514 176.117 0.193 0.000 1.122 289 I CA 1.521 62.949 61.300 0.213 0.000 1.431 289 I CB -0.360 37.761 38.000 0.202 0.000 1.087 289 I HN -0.191 nan 8.210 nan 0.000 0.424 290 R N -0.023 120.570 120.500 0.155 0.000 2.235 290 R HA 0.046 4.386 4.340 0.001 0.000 0.213 290 R C 2.132 178.536 176.300 0.173 0.000 1.059 290 R CA 0.885 57.069 56.100 0.140 0.000 0.997 290 R CB -0.505 29.843 30.300 0.081 0.000 0.884 290 R HN 0.519 nan 8.270 nan 0.000 0.462 291 G N 0.364 109.255 108.800 0.151 0.000 2.453 291 G HA2 -0.108 3.852 3.960 0.001 0.000 0.215 291 G HA3 -0.108 3.852 3.960 0.001 0.000 0.215 291 G C 1.452 176.494 174.900 0.237 0.000 1.147 291 G CA 0.539 45.720 45.100 0.135 0.000 0.802 291 G HN 0.327 nan 8.290 nan 0.000 0.535 292 A N 1.063 124.003 122.820 0.200 0.000 1.872 292 A HA 0.141 4.461 4.320 0.001 0.000 0.214 292 A C 2.325 180.219 177.584 0.516 0.000 1.187 292 A CA 0.968 53.184 52.037 0.298 0.000 0.614 292 A CB -0.356 18.801 19.000 0.262 0.000 0.826 292 A HN 0.317 nan 8.150 nan 0.000 0.442 293 I N -1.651 119.149 120.570 0.383 0.000 2.264 293 I HA -0.305 3.866 4.170 0.001 0.000 0.248 293 I C 2.459 178.811 176.117 0.390 0.000 1.111 293 I CA 1.857 63.369 61.300 0.354 0.000 1.382 293 I CB -0.465 37.685 38.000 0.250 0.000 1.060 293 I HN 0.543 nan 8.210 nan 0.000 0.418 294 Y N 1.128 121.592 120.300 0.274 0.000 2.097 294 Y HA -0.338 4.213 4.550 0.001 0.000 0.282 294 Y C 2.479 178.510 175.900 0.219 0.000 1.152 294 Y CA 1.741 59.972 58.100 0.218 0.000 1.136 294 Y CB -0.654 37.931 38.460 0.208 0.000 0.975 294 Y HN 0.040 nan 8.280 nan 0.000 0.498 295 Y N -1.159 119.228 120.300 0.146 0.000 2.224 295 Y HA -0.234 4.317 4.550 0.001 0.000 0.289 295 Y C 2.158 177.969 175.900 -0.149 0.000 1.146 295 Y CA 1.777 59.848 58.100 -0.049 0.000 1.182 295 Y CB -1.090 37.341 38.460 -0.050 0.000 0.983 295 Y HN 0.141 nan 8.280 nan 0.000 0.524 296 F N -0.352 119.701 119.950 0.171 0.000 2.407 296 F HA -0.077 4.450 4.527 0.001 0.000 0.299 296 F C 2.164 177.986 175.800 0.037 0.000 1.097 296 F CA 1.039 59.096 58.000 0.096 0.000 1.422 296 F CB -0.262 38.795 39.000 0.094 0.000 1.067 296 F HN -0.097 nan 8.300 nan 0.000 0.539 297 K N 0.628 121.113 120.400 0.141 0.000 2.116 297 K HA -0.065 4.255 4.320 0.001 0.000 0.203 297 K C 2.035 178.600 176.600 -0.059 0.000 1.052 297 K CA 1.291 57.600 56.287 0.037 0.000 0.952 297 K CB -0.177 32.318 32.500 -0.008 0.000 0.729 297 K HN 0.380 nan 8.250 nan 0.000 0.446 298 I N -2.797 117.667 120.570 -0.177 0.000 2.761 298 I HA 0.020 4.190 4.170 0.001 0.000 0.261 298 I C 2.009 178.080 176.117 -0.077 0.000 1.198 298 I CA 0.825 62.016 61.300 -0.181 0.000 1.482 298 I CB -0.147 37.664 38.000 -0.316 0.000 1.100 298 I HN -0.113 nan 8.210 nan 0.000 0.445 299 A N 1.629 124.422 122.820 -0.045 0.000 1.897 299 A HA -0.014 4.306 4.320 0.001 0.000 0.215 299 A C 2.369 179.970 177.584 0.029 0.000 1.181 299 A CA 1.702 53.733 52.037 -0.010 0.000 0.620 299 A CB -0.912 18.077 19.000 -0.019 0.000 0.821 299 A HN 0.310 nan 8.150 nan 0.000 0.443 300 V N -0.077 119.871 119.914 0.057 0.000 2.358 300 V HA -0.215 3.906 4.120 0.001 0.000 0.246 300 V C 3.012 179.135 176.094 0.049 0.000 1.047 300 V CA 1.909 64.251 62.300 0.071 0.000 1.035 300 V CB -1.129 30.751 31.823 0.096 0.000 0.658 300 V HN 0.591 nan 8.190 nan 0.000 0.452 301 A N -0.409 122.428 122.820 0.029 0.000 1.929 301 A HA -0.087 4.233 4.320 0.001 0.000 0.216 301 A C 2.224 179.820 177.584 0.021 0.000 1.176 301 A CA 1.311 53.363 52.037 0.025 0.000 0.628 301 A CB -0.450 18.554 19.000 0.006 0.000 0.816 301 A HN 0.393 nan 8.150 nan 0.000 0.444 302 L N -0.233 120.997 121.223 0.012 0.000 2.046 302 L HA -0.141 4.200 4.340 0.001 0.000 0.208 302 L C 2.668 179.545 176.870 0.012 0.000 1.077 302 L CA 2.355 57.204 54.840 0.014 0.000 0.747 302 L CB -1.265 40.801 42.059 0.013 0.000 0.896 302 L HN 0.408 nan 8.230 nan 0.000 0.432 303 A N -0.827 122.003 122.820 0.016 0.000 1.902 303 A HA -0.138 4.183 4.320 0.001 0.000 0.217 303 A C 2.280 179.877 177.584 0.020 0.000 1.181 303 A CA 1.800 53.846 52.037 0.015 0.000 0.623 303 A CB -0.765 18.250 19.000 0.025 0.000 0.818 303 A HN 0.316 nan 8.150 nan 0.000 0.443 304 V N -0.323 119.611 119.914 0.032 0.000 2.427 304 V HA -0.170 3.951 4.120 0.001 0.000 0.248 304 V C 2.957 179.070 176.094 0.031 0.000 1.051 304 V CA 1.733 64.057 62.300 0.039 0.000 1.048 304 V CB -0.993 30.862 31.823 0.054 0.000 0.666 304 V HN 0.599 nan 8.190 nan 0.000 0.456 305 A N -0.133 122.703 122.820 0.026 0.000 1.968 305 A HA 0.062 4.382 4.320 0.001 0.000 0.217 305 A C 2.343 179.934 177.584 0.010 0.000 1.169 305 A CA 1.621 53.668 52.037 0.018 0.000 0.638 305 A CB -0.488 18.523 19.000 0.019 0.000 0.812 305 A HN 0.527 nan 8.150 nan 0.000 0.446 306 A N -0.564 122.260 122.820 0.008 0.000 1.970 306 A HA 0.238 4.559 4.320 0.001 0.000 0.216 306 A C 0.816 178.417 177.584 0.028 0.000 1.170 306 A CA 0.452 52.490 52.037 0.002 0.000 0.645 306 A CB -0.188 18.795 19.000 -0.029 0.000 0.816 306 A HN 0.334 nan 8.150 nan 0.000 0.447 307 I N 1.198 121.785 120.570 0.027 0.000 2.371 307 I HA 0.209 4.379 4.170 0.001 0.000 0.290 307 I C -2.412 173.740 176.117 0.058 0.000 1.028 307 I CA -2.787 58.545 61.300 0.054 0.000 1.345 307 I CB 0.649 38.670 38.000 0.034 0.000 1.407 307 I HN 0.053 nan 8.210 nan 0.000 0.501 308 P HA 0.185 nan 4.420 nan 0.000 0.231 308 P C 0.260 177.567 177.300 0.012 0.000 1.811 308 P CA -0.234 62.881 63.100 0.025 0.000 1.051 308 P CB 0.277 31.986 31.700 0.014 0.000 1.951 309 E N 1.345 121.548 120.200 0.006 0.000 2.233 309 E HA -0.171 4.180 4.350 0.001 0.000 0.199 309 E C 2.127 178.711 176.600 -0.026 0.000 1.004 309 E CA 1.978 58.377 56.400 -0.002 0.000 0.819 309 E CB -0.625 29.076 29.700 0.002 0.000 0.738 309 E HN 0.494 nan 8.360 nan 0.000 0.478 310 G N -0.397 108.373 108.800 -0.050 0.000 2.986 310 G HA2 -0.034 3.926 3.960 0.001 0.000 0.213 310 G HA3 -0.034 3.926 3.960 0.001 0.000 0.213 310 G C 1.254 176.106 174.900 -0.079 0.000 1.156 310 G CA -0.153 44.901 45.100 -0.077 0.000 0.763 310 G HN 0.137 nan 8.290 nan 0.000 0.547 311 L N 2.245 123.438 121.223 -0.050 0.000 2.012 311 L HA 0.003 4.343 4.340 0.001 0.000 0.210 311 L C 0.359 177.220 176.870 -0.014 0.000 1.073 311 L CA 2.218 57.042 54.840 -0.027 0.000 0.748 311 L CB -0.926 41.132 42.059 -0.001 0.000 0.891 311 L HN 0.075 nan 8.230 nan 0.000 0.431 312 P HA -0.204 nan 4.420 nan 0.000 0.215 312 P C 1.417 178.701 177.300 -0.027 0.000 1.153 312 P CA 2.274 65.371 63.100 -0.004 0.000 0.853 312 P CB -0.193 31.503 31.700 -0.007 0.000 0.788 313 A N -0.190 122.596 122.820 -0.057 0.000 1.930 313 A HA -0.076 4.244 4.320 0.001 0.000 0.217 313 A C 2.513 180.025 177.584 -0.120 0.000 1.175 313 A CA 1.568 53.556 52.037 -0.081 0.000 0.627 313 A CB -1.568 17.376 19.000 -0.093 0.000 0.815 313 A HN 0.062 nan 8.150 nan 0.000 0.443 314 V N 0.330 120.142 119.914 -0.170 0.000 2.343 314 V HA -0.263 3.857 4.120 0.001 0.000 0.247 314 V C 2.422 178.344 176.094 -0.286 0.000 1.051 314 V CA 1.973 64.076 62.300 -0.328 0.000 1.036 314 V CB -0.651 30.887 31.823 -0.475 0.000 0.654 314 V HN 0.568 nan 8.190 nan 0.000 0.451 315 I N -0.035 120.497 120.570 -0.064 0.000 2.142 315 I HA -0.258 3.912 4.170 0.001 0.000 0.240 315 I C 2.549 178.700 176.117 0.057 0.000 1.078 315 I CA 2.012 63.385 61.300 0.122 0.000 1.343 315 I CB -0.730 37.357 38.000 0.145 0.000 1.046 315 I HN 0.303 nan 8.210 nan 0.000 0.405 316 T N -0.073 114.488 114.554 0.012 0.000 2.803 316 T HA -0.161 4.189 4.350 0.001 0.000 0.269 316 T C 1.856 176.554 174.700 -0.004 0.000 1.052 316 T CA 1.894 64.001 62.100 0.012 0.000 1.136 316 T CB -0.278 68.591 68.868 0.002 0.000 0.864 316 T HN 0.382 nan 8.240 nan 0.000 0.467 317 T N 0.574 115.099 114.554 -0.049 0.000 2.812 317 T HA -0.093 4.258 4.350 0.001 0.000 0.264 317 T C 2.256 176.939 174.700 -0.027 0.000 1.042 317 T CA 0.990 63.056 62.100 -0.056 0.000 1.140 317 T CB -0.669 68.131 68.868 -0.112 0.000 0.870 317 T HN 0.505 nan 8.240 nan 0.000 0.445 318 C N 1.251 120.525 119.300 -0.043 0.000 2.425 318 C HA -0.006 4.454 4.460 0.001 0.000 0.277 318 C C 2.472 177.510 174.990 0.081 0.000 1.280 318 C CA 0.437 59.477 59.018 0.035 0.000 1.744 318 C CB -1.442 26.378 27.740 0.133 0.000 1.989 318 C HN 0.337 nan 8.230 nan 0.000 0.491 319 L N 1.544 122.812 121.223 0.075 0.000 2.056 319 L HA 0.041 4.381 4.340 0.001 0.000 0.207 319 L C 2.889 179.788 176.870 0.049 0.000 1.078 319 L CA 2.275 57.156 54.840 0.068 0.000 0.749 319 L CB -1.538 40.561 42.059 0.066 0.000 0.901 319 L HN 0.410 nan 8.230 nan 0.000 0.433 320 A N -0.802 122.041 122.820 0.039 0.000 1.902 320 A HA -0.170 4.150 4.320 0.001 0.000 0.217 320 A C 2.346 179.947 177.584 0.028 0.000 1.181 320 A CA 1.593 53.650 52.037 0.033 0.000 0.623 320 A CB -0.729 18.287 19.000 0.027 0.000 0.818 320 A HN 0.376 nan 8.150 nan 0.000 0.443 321 L N -0.842 120.401 121.223 0.033 0.000 2.017 321 L HA -0.128 4.213 4.340 0.001 0.000 0.208 321 L C 2.871 179.752 176.870 0.019 0.000 1.073 321 L CA 1.218 56.072 54.840 0.024 0.000 0.745 321 L CB -0.862 41.236 42.059 0.066 0.000 0.894 321 L HN 0.496 nan 8.230 nan 0.000 0.432 322 G N -1.161 107.666 108.800 0.044 0.000 2.422 322 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 322 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 322 G C 1.582 176.495 174.900 0.022 0.000 1.146 322 G CA 1.206 46.328 45.100 0.037 0.000 0.769 322 G HN 0.256 nan 8.290 nan 0.000 0.547 323 T N 0.513 115.081 114.554 0.025 0.000 2.788 323 T HA -0.086 4.264 4.350 0.001 0.000 0.268 323 T C 2.517 177.223 174.700 0.010 0.000 1.044 323 T CA 1.133 63.244 62.100 0.018 0.000 1.139 323 T CB -0.126 68.755 68.868 0.023 0.000 0.867 323 T HN 0.281 nan 8.240 nan 0.000 0.454 324 R N 0.420 120.925 120.500 0.008 0.000 2.092 324 R HA 0.052 4.393 4.340 0.001 0.000 0.231 324 R C 2.670 178.967 176.300 -0.005 0.000 1.119 324 R CA 0.940 57.041 56.100 0.001 0.000 0.970 324 R CB -0.177 30.121 30.300 -0.003 0.000 0.864 324 R HN 0.269 nan 8.270 nan 0.000 0.440 325 R N 0.846 121.340 120.500 -0.009 0.000 2.075 325 R HA -0.067 4.273 4.340 0.001 0.000 0.232 325 R C 2.132 178.427 176.300 -0.007 0.000 1.126 325 R CA 1.455 57.547 56.100 -0.013 0.000 0.963 325 R CB -0.059 30.231 30.300 -0.017 0.000 0.858 325 R HN 0.163 nan 8.270 nan 0.000 0.435 326 M N -0.094 119.504 119.600 -0.003 0.000 2.213 326 M HA -0.091 4.389 4.480 0.001 0.000 0.263 326 M C 2.365 178.662 176.300 -0.006 0.000 1.062 326 M CA 1.574 56.871 55.300 -0.005 0.000 1.105 326 M CB -0.130 32.469 32.600 -0.003 0.000 1.385 326 M HN 0.298 nan 8.290 nan 0.000 0.417 327 A N 0.371 123.189 122.820 -0.003 0.000 1.930 327 A HA -0.130 4.190 4.320 0.001 0.000 0.217 327 A C 2.086 179.668 177.584 -0.003 0.000 1.175 327 A CA 1.301 53.336 52.037 -0.002 0.000 0.627 327 A CB -0.374 18.627 19.000 0.001 0.000 0.815 327 A HN 0.288 nan 8.150 nan 0.000 0.443 328 K N 0.159 120.557 120.400 -0.004 0.000 2.280 328 K HA -0.076 4.244 4.320 0.001 0.000 0.202 328 K C 0.837 177.434 176.600 -0.005 0.000 1.047 328 K CA 1.109 57.394 56.287 -0.004 0.000 0.942 328 K CB -0.156 32.341 32.500 -0.006 0.000 0.739 328 K HN 0.472 nan 8.250 nan 0.000 0.457 329 K N 1.010 121.406 120.400 -0.007 0.000 2.493 329 K HA 0.098 4.418 4.320 0.001 0.000 0.207 329 K C -0.376 176.217 176.600 -0.011 0.000 1.033 329 K CA -0.161 56.120 56.287 -0.009 0.000 1.161 329 K CB 0.258 32.751 32.500 -0.012 0.000 0.873 329 K HN 0.067 nan 8.250 nan 0.000 0.491 330 N N -0.190 118.505 118.700 -0.008 0.000 2.782 330 N HA -0.177 4.564 4.740 0.001 0.000 0.251 330 N C -0.798 174.706 175.510 -0.011 0.000 1.101 330 N CA 1.123 54.169 53.050 -0.007 0.000 0.764 330 N CB -1.217 37.267 38.487 -0.006 0.000 1.122 330 N HN 0.314 nan 8.380 nan 0.000 0.561 331 A N 0.762 123.574 122.820 -0.013 0.000 2.277 331 A HA 0.654 4.974 4.320 0.001 0.000 0.318 331 A C 0.407 177.986 177.584 -0.010 0.000 1.339 331 A CA -0.496 51.531 52.037 -0.017 0.000 0.875 331 A CB 0.452 19.438 19.000 -0.024 0.000 1.158 331 A HN 0.243 nan 8.150 nan 0.000 0.514 332 I N 3.852 124.417 120.570 -0.007 0.000 2.281 332 I HA 0.151 4.321 4.170 0.001 0.000 0.293 332 I C -0.373 175.742 176.117 -0.003 0.000 1.085 332 I CA -0.427 60.871 61.300 -0.003 0.000 1.257 332 I CB 1.059 39.058 38.000 -0.001 0.000 1.430 332 I HN 0.276 nan 8.210 nan 0.000 0.489 333 V N 7.689 127.603 119.914 -0.001 0.000 2.488 333 V HA 0.215 4.335 4.120 0.001 0.000 0.277 333 V C 1.292 177.388 176.094 0.003 0.000 1.046 333 V CA -0.236 62.065 62.300 0.000 0.000 0.986 333 V CB 1.031 32.856 31.823 0.004 0.000 0.989 333 V HN 0.736 nan 8.190 nan 0.000 0.475 334 R N 2.085 122.585 120.500 -0.000 0.000 2.189 334 R HA 0.118 4.459 4.340 0.001 0.000 0.203 334 R C 0.838 177.138 176.300 0.000 0.000 1.012 334 R CA 0.356 56.455 56.100 -0.002 0.000 1.015 334 R CB 0.324 30.620 30.300 -0.006 0.000 0.938 334 R HN 0.569 nan 8.270 nan 0.000 0.472 335 S N 0.869 116.570 115.700 0.002 0.000 2.594 335 S HA 0.267 4.737 4.470 0.001 0.000 0.322 335 S C 1.154 175.762 174.600 0.013 0.000 1.085 335 S CA -0.568 57.635 58.200 0.005 0.000 1.116 335 S CB 0.672 63.872 63.200 0.000 0.000 0.979 335 S HN 0.149 nan 8.310 nan 0.000 0.465 336 L N 4.988 126.223 121.223 0.022 0.000 2.051 336 L HA -0.072 4.268 4.340 0.001 0.000 0.214 336 L C -0.822 176.067 176.870 0.032 0.000 1.076 336 L CA 1.509 56.368 54.840 0.031 0.000 0.758 336 L CB -1.588 40.495 42.059 0.040 0.000 0.890 336 L HN 0.483 nan 8.230 nan 0.000 0.433 337 P HA -0.075 nan 4.420 nan 0.000 0.228 337 P C 1.461 178.769 177.300 0.014 0.000 1.151 337 P CA 0.981 64.097 63.100 0.027 0.000 0.770 337 P CB 0.103 31.816 31.700 0.021 0.000 0.786 338 S N -0.916 114.789 115.700 0.008 0.000 2.522 338 S HA -0.066 4.405 4.470 0.001 0.000 0.227 338 S C 1.855 176.452 174.600 -0.006 0.000 0.986 338 S CA 0.853 59.051 58.200 -0.003 0.000 0.929 338 S CB -1.010 62.187 63.200 -0.005 0.000 0.769 338 S HN 0.117 nan 8.310 nan 0.000 0.529 339 V N 1.283 121.203 119.914 0.009 0.000 2.287 339 V HA -0.222 3.899 4.120 0.001 0.000 0.248 339 V C 2.186 178.281 176.094 0.001 0.000 1.053 339 V CA 2.121 64.428 62.300 0.013 0.000 1.027 339 V CB -0.971 30.874 31.823 0.037 0.000 0.646 339 V HN 0.534 nan 8.190 nan 0.000 0.447 340 E N 1.072 121.272 120.200 -0.000 0.000 2.023 340 E HA -0.257 4.093 4.350 0.001 0.000 0.196 340 E C 2.217 178.745 176.600 -0.120 0.000 1.003 340 E CA 2.485 58.844 56.400 -0.068 0.000 0.809 340 E CB -0.545 29.107 29.700 -0.079 0.000 0.755 340 E HN 0.683 nan 8.360 nan 0.000 0.449 341 T N 1.750 116.254 114.554 -0.083 0.000 2.737 341 T HA -0.204 4.146 4.350 0.001 0.000 0.269 341 T C 1.789 176.451 174.700 -0.063 0.000 1.040 341 T CA 1.284 63.339 62.100 -0.075 0.000 1.142 341 T CB -0.341 68.501 68.868 -0.045 0.000 0.861 341 T HN 0.118 nan 8.240 nan 0.000 0.456 342 L N 1.583 122.778 121.223 -0.047 0.000 2.042 342 L HA 0.072 4.412 4.340 0.001 0.000 0.210 342 L C 2.637 179.478 176.870 -0.047 0.000 1.076 342 L CA 1.935 56.751 54.840 -0.040 0.000 0.749 342 L CB -1.292 40.748 42.059 -0.031 0.000 0.893 342 L HN 0.329 nan 8.230 nan 0.000 0.432 343 G N -1.876 106.891 108.800 -0.055 0.000 2.448 343 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 343 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 343 G C 1.393 176.250 174.900 -0.071 0.000 1.127 343 G CA 0.983 46.050 45.100 -0.055 0.000 0.766 343 G HN 0.537 nan 8.290 nan 0.000 0.552 344 C N 1.161 120.404 119.300 -0.096 0.000 2.626 344 C HA 0.222 4.682 4.460 0.001 0.000 0.266 344 C C 1.358 176.321 174.990 -0.045 0.000 1.317 344 C CA -0.755 58.212 59.018 -0.085 0.000 1.716 344 C CB -1.182 26.492 27.740 -0.111 0.000 1.819 344 C HN 0.269 nan 8.230 nan 0.000 0.578 345 T N 1.421 115.952 114.554 -0.037 0.000 2.765 345 T HA -0.050 4.300 4.350 0.001 0.000 0.275 345 T C 1.182 175.878 174.700 -0.006 0.000 1.007 345 T CA 0.852 62.941 62.100 -0.019 0.000 1.175 345 T CB 0.620 69.475 68.868 -0.022 0.000 0.993 345 T HN 0.575 nan 8.240 nan 0.000 0.510 346 S N 2.922 118.626 115.700 0.008 0.000 2.499 346 S HA 0.263 4.733 4.470 0.001 0.000 0.225 346 S C 0.382 175.001 174.600 0.031 0.000 1.050 346 S CA -0.113 58.097 58.200 0.018 0.000 0.928 346 S CB 0.502 63.716 63.200 0.024 0.000 0.803 346 S HN 0.469 nan 8.310 nan 0.000 0.506 347 V N 2.141 122.079 119.914 0.040 0.000 2.808 347 V HA 0.533 4.653 4.120 0.001 0.000 0.308 347 V C -1.128 175.004 176.094 0.063 0.000 1.099 347 V CA -0.717 61.617 62.300 0.057 0.000 0.920 347 V CB 1.927 33.792 31.823 0.070 0.000 1.014 347 V HN 0.289 nan 8.190 nan 0.000 0.425 348 I N 3.423 124.046 120.570 0.087 0.000 2.382 348 I HA 0.371 4.542 4.170 0.001 0.000 0.285 348 I C -0.561 175.639 176.117 0.139 0.000 1.007 348 I CA -0.199 61.169 61.300 0.113 0.000 1.142 348 I CB 1.434 39.530 38.000 0.159 0.000 1.289 348 I HN 0.524 nan 8.210 nan 0.000 0.453 349 C N 4.552 123.919 119.300 0.111 0.000 2.246 349 C HA 0.478 4.938 4.460 0.001 0.000 0.329 349 C C 0.683 175.740 174.990 0.112 0.000 1.221 349 C CA -0.272 58.808 59.018 0.104 0.000 1.697 349 C CB 0.115 27.900 27.740 0.077 0.000 2.312 349 C HN 0.753 nan 8.230 nan 0.000 0.509 350 S N 2.870 118.637 115.700 0.113 0.000 2.532 350 S HA 0.343 4.814 4.470 0.001 0.000 0.299 350 S C -0.594 174.040 174.600 0.056 0.000 1.105 350 S CA -0.566 57.706 58.200 0.120 0.000 1.018 350 S CB 0.536 63.876 63.200 0.233 0.000 1.021 350 S HN 0.755 nan 8.310 nan 0.000 0.483 351 D N 2.979 123.412 120.400 0.056 0.000 2.382 351 D HA 0.072 4.712 4.640 0.001 0.000 0.240 351 D C 0.860 177.169 176.300 0.015 0.000 1.146 351 D CA -0.016 54.005 54.000 0.034 0.000 0.897 351 D CB 0.954 41.774 40.800 0.034 0.000 1.197 351 D HN 0.578 nan 8.370 nan 0.000 0.432 352 K N 0.538 120.938 120.400 -0.000 0.000 2.017 352 K HA -0.037 4.283 4.320 0.001 0.000 0.207 352 K C 0.227 176.824 176.600 -0.005 0.000 1.035 352 K CA 0.493 56.766 56.287 -0.023 0.000 0.947 352 K CB -0.117 32.367 32.500 -0.027 0.000 0.749 352 K HN 0.311 nan 8.250 nan 0.000 0.443 353 T N 0.959 115.517 114.554 0.007 0.000 2.778 353 T HA 0.132 4.482 4.350 0.001 0.000 0.282 353 T C 0.761 175.474 174.700 0.021 0.000 0.983 353 T CA 0.875 62.983 62.100 0.014 0.000 1.193 353 T CB 0.306 69.185 68.868 0.019 0.000 0.938 353 T HN 0.666 nan 8.240 nan 0.000 0.523 354 G N 3.270 112.083 108.800 0.022 0.000 2.225 354 G HA2 -0.318 3.642 3.960 0.001 0.000 0.254 354 G HA3 -0.318 3.642 3.960 0.001 0.000 0.254 354 G C 0.924 175.847 174.900 0.039 0.000 0.988 354 G CA 0.600 45.718 45.100 0.030 0.000 0.625 354 G HN 0.700 nan 8.290 nan 0.000 0.527 355 T N -0.370 114.210 114.554 0.044 0.000 3.098 355 T HA 0.351 4.702 4.350 0.001 0.000 0.246 355 T C 2.244 176.996 174.700 0.086 0.000 0.983 355 T CA 0.854 63.002 62.100 0.080 0.000 1.094 355 T CB 0.136 69.066 68.868 0.103 0.000 1.035 355 T HN 0.161 nan 8.240 nan 0.000 0.456 356 L N 1.595 122.825 121.223 0.012 0.000 2.354 356 L HA 0.220 4.560 4.340 0.001 0.000 0.212 356 L C 1.340 178.185 176.870 -0.041 0.000 1.091 356 L CA 0.589 55.387 54.840 -0.070 0.000 0.828 356 L CB 0.008 41.964 42.059 -0.173 0.000 0.973 356 L HN 0.363 nan 8.230 nan 0.000 0.461 357 T N -5.542 109.000 114.554 -0.020 0.000 2.927 357 T HA 0.227 4.577 4.350 0.001 0.000 0.286 357 T C 0.942 175.642 174.700 0.000 0.000 1.040 357 T CA 0.054 62.145 62.100 -0.016 0.000 1.010 357 T CB 1.656 70.513 68.868 -0.019 0.000 1.177 357 T HN 0.090 nan 8.240 nan 0.000 0.546 358 T N -1.741 112.809 114.554 -0.006 0.000 3.054 358 T HA 0.120 4.471 4.350 0.001 0.000 0.259 358 T C 1.086 175.792 174.700 0.009 0.000 1.092 358 T CA 0.849 62.949 62.100 -0.001 0.000 1.121 358 T CB -0.838 68.019 68.868 -0.019 0.000 0.912 358 T HN 0.965 nan 8.240 nan 0.000 0.489 359 N N 0.498 119.203 118.700 0.008 0.000 2.776 359 N HA -0.155 4.586 4.740 0.001 0.000 0.250 359 N C -1.139 174.400 175.510 0.048 0.000 1.112 359 N CA 0.141 53.210 53.050 0.031 0.000 0.733 359 N CB -0.585 37.928 38.487 0.044 0.000 1.097 359 N HN 0.445 nan 8.380 nan 0.000 0.558 360 Q N 1.193 120.982 119.800 -0.019 0.000 2.430 360 Q HA 0.273 4.613 4.340 0.001 0.000 0.245 360 Q C -0.215 175.681 176.000 -0.174 0.000 1.021 360 Q CA -0.120 55.600 55.803 -0.138 0.000 0.867 360 Q CB 1.377 29.986 28.738 -0.215 0.000 1.210 360 Q HN 0.329 nan 8.270 nan 0.000 0.487 361 M N 1.436 120.993 119.600 -0.072 0.000 2.235 361 M HA 0.218 4.699 4.480 0.001 0.000 0.351 361 M C -0.311 175.941 176.300 -0.081 0.000 1.178 361 M CA 0.359 55.657 55.300 -0.004 0.000 1.143 361 M CB 1.098 33.786 32.600 0.146 0.000 1.530 361 M HN 0.385 nan 8.290 nan 0.000 0.461 362 S N 2.622 118.288 115.700 -0.057 0.000 2.603 362 S HA 0.554 5.025 4.470 0.001 0.000 0.274 362 S C -1.429 173.144 174.600 -0.046 0.000 1.168 362 S CA -0.866 57.295 58.200 -0.066 0.000 0.963 362 S CB 0.952 64.081 63.200 -0.119 0.000 1.078 362 S HN 0.454 nan 8.310 nan 0.000 0.477 363 V N 4.812 124.706 119.914 -0.032 0.000 2.572 363 V HA 0.152 4.272 4.120 0.001 0.000 0.291 363 V C 0.874 176.926 176.094 -0.071 0.000 1.039 363 V CA -0.044 62.231 62.300 -0.040 0.000 1.055 363 V CB 0.631 32.436 31.823 -0.031 0.000 0.969 363 V HN 1.133 nan 8.190 nan 0.000 0.482 364 C N 3.672 122.908 119.300 -0.107 0.000 2.800 364 C HA 0.336 4.797 4.460 0.001 0.000 0.379 364 C C 0.936 175.812 174.990 -0.190 0.000 1.304 364 C CA -0.261 58.669 59.018 -0.146 0.000 1.960 364 C CB -0.385 27.246 27.740 -0.182 0.000 2.599 364 C HN 0.852 nan 8.230 nan 0.000 0.578 365 K N 0.601 120.850 120.400 -0.251 0.000 2.495 365 K HA 0.774 5.094 4.320 0.001 0.000 0.268 365 K C -1.010 175.600 176.600 0.016 0.000 1.008 365 K CA -0.292 55.818 56.287 -0.296 0.000 0.882 365 K CB 2.171 34.019 32.500 -1.087 0.000 1.443 365 K HN 0.311 nan 8.250 nan 0.000 0.447 366 M N -0.018 119.801 119.600 0.366 0.000 2.660 366 M HA 0.556 5.036 4.480 0.001 0.000 0.281 366 M C -1.957 174.718 176.300 0.625 0.000 1.131 366 M CA -0.963 54.603 55.300 0.444 0.000 0.858 366 M CB 1.609 34.270 32.600 0.102 0.000 1.732 366 M HN 0.606 nan 8.290 nan 0.000 0.516 367 F N 1.664 121.810 119.950 0.327 0.000 2.631 367 F HA 0.926 5.454 4.527 0.001 0.000 0.308 367 F C -1.651 174.239 175.800 0.151 0.000 1.097 367 F CA -0.998 57.166 58.000 0.274 0.000 0.952 367 F CB 1.294 40.417 39.000 0.205 0.000 1.307 367 F HN 0.823 nan 8.300 nan 0.000 0.450 368 I N 0.384 121.178 120.570 0.373 0.000 3.108 368 I HA 0.616 4.786 4.170 0.001 0.000 0.312 368 I C -0.997 175.359 176.117 0.399 0.000 1.095 368 I CA -1.389 60.042 61.300 0.219 0.000 1.000 368 I CB 2.096 40.153 38.000 0.095 0.000 1.229 368 I HN 0.486 nan 8.210 nan 0.000 0.454 369 I N 2.098 122.872 120.570 0.340 0.000 2.529 369 I HA 0.094 4.264 4.170 0.001 0.000 0.284 369 I C 0.458 176.719 176.117 0.239 0.000 1.082 369 I CA 0.557 62.045 61.300 0.314 0.000 1.406 369 I CB 0.856 39.037 38.000 0.301 0.000 1.405 369 I HN 0.843 nan 8.210 nan 0.000 0.548 370 D N 4.591 125.114 120.400 0.205 0.000 2.414 370 D HA 0.072 4.712 4.640 0.001 0.000 0.237 370 D C 0.440 176.823 176.300 0.140 0.000 0.975 370 D CA 0.921 55.028 54.000 0.179 0.000 0.917 370 D CB 0.780 41.671 40.800 0.152 0.000 1.061 370 D HN 0.530 nan 8.370 nan 0.000 0.480 371 K N -0.460 120.014 120.400 0.122 0.000 2.562 371 K HA 0.507 4.828 4.320 0.001 0.000 0.267 371 K C -2.138 174.526 176.600 0.108 0.000 0.938 371 K CA -0.795 55.554 56.287 0.105 0.000 0.840 371 K CB 2.267 34.818 32.500 0.084 0.000 1.390 371 K HN -0.153 nan 8.250 nan 0.000 0.428 372 V N 2.717 122.694 119.914 0.105 0.000 2.524 372 V HA 0.364 4.485 4.120 0.001 0.000 0.297 372 V C -1.540 174.615 176.094 0.102 0.000 1.035 372 V CA -0.604 61.756 62.300 0.101 0.000 0.867 372 V CB 1.674 33.553 31.823 0.093 0.000 1.004 372 V HN 0.831 nan 8.190 nan 0.000 0.426 373 D N 3.645 124.119 120.400 0.125 0.000 2.337 373 D HA 0.545 5.185 4.640 0.001 0.000 0.238 373 D C 0.524 176.900 176.300 0.127 0.000 1.331 373 D CA 1.051 55.132 54.000 0.135 0.000 0.967 373 D CB 1.263 42.165 40.800 0.169 0.000 1.382 373 D HN 0.900 nan 8.370 nan 0.000 0.549 374 G N 3.881 112.710 108.800 0.047 0.000 2.556 374 G HA2 -0.337 3.623 3.960 0.001 0.000 0.283 374 G HA3 -0.337 3.623 3.960 0.001 0.000 0.283 374 G C 0.719 175.562 174.900 -0.097 0.000 1.177 374 G CA 0.407 45.489 45.100 -0.030 0.000 0.978 374 G HN 0.493 nan 8.290 nan 0.000 0.554 375 D N 0.593 120.835 120.400 -0.264 0.000 2.347 375 D HA 0.148 4.788 4.640 0.001 0.000 0.215 375 D C 0.895 177.019 176.300 -0.293 0.000 0.976 375 D CA 0.582 54.394 54.000 -0.313 0.000 0.884 375 D CB -0.034 40.512 40.800 -0.424 0.000 0.915 375 D HN 0.145 nan 8.370 nan 0.000 0.526 376 F N 0.614 120.563 119.950 -0.001 0.000 2.389 376 F HA 0.276 4.803 4.527 0.001 0.000 0.337 376 F C 0.764 176.565 175.800 0.003 0.000 1.112 376 F CA -1.053 56.946 58.000 -0.001 0.000 1.192 376 F CB 1.019 40.021 39.000 0.004 0.000 1.185 376 F HN -0.173 nan 8.300 nan 0.000 0.552 377 C N 2.573 121.997 119.300 0.207 0.000 3.113 377 C HA 0.715 5.175 4.460 0.001 0.000 0.376 377 C C -1.046 173.991 174.990 0.080 0.000 1.077 377 C CA -0.424 58.661 59.018 0.113 0.000 1.253 377 C CB 0.510 28.285 27.740 0.059 0.000 1.637 377 C HN 1.050 nan 8.230 nan 0.000 0.535 378 S N 5.721 121.463 115.700 0.070 0.000 2.549 378 S HA 0.870 5.340 4.470 0.001 0.000 0.280 378 S C -1.223 173.415 174.600 0.063 0.000 1.109 378 S CA -0.725 57.503 58.200 0.047 0.000 0.905 378 S CB 1.281 64.508 63.200 0.045 0.000 1.081 378 S HN 0.917 nan 8.310 nan 0.000 0.477 379 L N 1.455 122.698 121.223 0.033 0.000 2.313 379 L HA 0.627 4.968 4.340 0.001 0.000 0.268 379 L C -0.463 176.467 176.870 0.099 0.000 1.010 379 L CA -1.080 53.809 54.840 0.082 0.000 0.814 379 L CB 1.418 43.437 42.059 -0.066 0.000 1.304 379 L HN 0.672 nan 8.230 nan 0.000 0.441 380 N N 0.906 119.731 118.700 0.208 0.000 2.626 380 N HA 0.184 4.924 4.740 0.001 0.000 0.242 380 N C -1.129 174.536 175.510 0.258 0.000 1.005 380 N CA -0.280 52.871 53.050 0.167 0.000 0.905 380 N CB 1.043 39.725 38.487 0.325 0.000 1.128 380 N HN 0.510 nan 8.380 nan 0.000 0.512 381 E N 2.451 122.667 120.200 0.026 0.000 2.216 381 E HA 0.398 4.748 4.350 0.001 0.000 0.279 381 E C -0.954 175.573 176.600 -0.121 0.000 0.997 381 E CA -0.327 56.196 56.400 0.204 0.000 0.817 381 E CB 0.738 30.552 29.700 0.190 0.000 1.096 381 E HN 0.254 nan 8.360 nan 0.000 0.393 382 F N 0.577 120.598 119.950 0.118 0.000 2.664 382 F HA 0.510 5.037 4.527 0.001 0.000 0.329 382 F C 0.072 175.870 175.800 -0.005 0.000 1.090 382 F CA -0.775 57.229 58.000 0.007 0.000 0.978 382 F CB 2.025 40.981 39.000 -0.073 0.000 1.378 382 F HN 0.249 nan 8.300 nan 0.000 0.495 383 S N 1.238 117.030 115.700 0.154 0.000 2.599 383 S HA 0.824 5.294 4.470 0.001 0.000 0.287 383 S C -1.541 173.073 174.600 0.023 0.000 1.105 383 S CA -0.587 57.629 58.200 0.026 0.000 0.899 383 S CB 2.085 65.273 63.200 -0.021 0.000 1.100 383 S HN 0.287 nan 8.310 nan 0.000 0.482 384 I N 2.090 122.643 120.570 -0.027 0.000 2.686 384 I HA 0.439 4.609 4.170 0.001 0.000 0.295 384 I C 0.211 176.299 176.117 -0.048 0.000 1.114 384 I CA -0.602 60.677 61.300 -0.034 0.000 1.038 384 I CB 1.651 39.623 38.000 -0.047 0.000 1.238 384 I HN 0.770 nan 8.210 nan 0.000 0.420 385 T N 0.050 114.578 114.554 -0.043 0.000 2.925 385 T HA 0.837 5.187 4.350 0.001 0.000 0.285 385 T C 0.145 174.812 174.700 -0.054 0.000 1.021 385 T CA -0.484 61.587 62.100 -0.048 0.000 1.042 385 T CB 1.917 70.762 68.868 -0.038 0.000 1.037 385 T HN 1.442 nan 8.240 nan 0.000 0.481 386 G N 0.915 109.680 108.800 -0.059 0.000 3.373 386 G HA2 0.101 4.061 3.960 0.001 0.000 0.685 386 G HA3 0.101 4.061 3.960 0.001 0.000 0.685 386 G C 0.238 175.089 174.900 -0.082 0.000 1.166 386 G CA -0.090 44.971 45.100 -0.066 0.000 1.063 386 G HN 1.619 nan 8.290 nan 0.000 0.481 387 S N 0.314 115.959 115.700 -0.091 0.000 2.575 387 S HA 0.414 4.884 4.470 0.001 0.000 0.215 387 S C 1.193 175.682 174.600 -0.185 0.000 0.966 387 S CA 1.154 59.280 58.200 -0.123 0.000 0.911 387 S CB 0.710 63.848 63.200 -0.104 0.000 0.780 387 S HN 1.649 nan 8.310 nan 0.000 0.514 388 T N -0.501 113.960 114.554 -0.155 0.000 2.862 388 T HA 0.421 4.772 4.350 0.001 0.000 0.276 388 T C 0.210 174.806 174.700 -0.173 0.000 0.974 388 T CA -0.490 61.501 62.100 -0.182 0.000 0.966 388 T CB 0.438 69.271 68.868 -0.059 0.000 1.072 388 T HN 0.183 nan 8.240 nan 0.000 0.538 389 Y N 0.803 121.105 120.300 0.004 0.000 2.529 389 Y HA 0.454 5.005 4.550 0.001 0.000 0.290 389 Y C 1.576 177.438 175.900 -0.064 0.000 1.177 389 Y CA -0.219 57.880 58.100 -0.003 0.000 1.305 389 Y CB -0.789 37.699 38.460 0.048 0.000 1.047 389 Y HN 0.673 nan 8.280 nan 0.000 0.522 390 A N 2.163 124.986 122.820 0.005 0.000 2.440 390 A HA 0.184 4.505 4.320 0.001 0.000 0.251 390 A C -1.369 176.015 177.584 -0.334 0.000 1.089 390 A CA -1.104 50.723 52.037 -0.349 0.000 0.779 390 A CB -0.030 18.825 19.000 -0.240 0.000 1.022 390 A HN 0.095 nan 8.150 nan 0.000 0.492 391 P HA -0.043 nan 4.420 nan 0.000 0.259 391 P C -0.256 176.925 177.300 -0.199 0.000 1.307 391 P CA 0.589 63.529 63.100 -0.267 0.000 0.768 391 P CB -0.159 31.386 31.700 -0.258 0.000 1.199 392 E N 0.638 120.718 120.200 -0.199 0.000 2.152 392 E HA 0.501 4.851 4.350 0.001 0.000 0.285 392 E C 0.802 177.351 176.600 -0.085 0.000 1.043 392 E CA -0.257 56.071 56.400 -0.120 0.000 0.839 392 E CB 0.589 30.231 29.700 -0.097 0.000 1.069 392 E HN 0.187 nan 8.360 nan 0.000 0.399 393 G N 2.465 111.225 108.800 -0.066 0.000 2.369 393 G HA2 0.140 4.100 3.960 0.001 0.000 0.293 393 G HA3 0.140 4.100 3.960 0.001 0.000 0.293 393 G C -1.670 173.204 174.900 -0.044 0.000 1.301 393 G CA -0.875 44.194 45.100 -0.052 0.000 0.913 393 G HN 0.466 nan 8.290 nan 0.000 0.540 394 E N -1.156 119.023 120.200 -0.035 0.000 2.413 394 E HA 0.645 4.996 4.350 0.001 0.000 0.277 394 E C -1.137 175.453 176.600 -0.016 0.000 0.958 394 E CA -0.839 55.546 56.400 -0.024 0.000 0.779 394 E CB 1.944 31.637 29.700 -0.012 0.000 1.278 394 E HN 0.650 nan 8.360 nan 0.000 0.456 395 V N 1.322 121.231 119.914 -0.008 0.000 2.953 395 V HA 0.441 4.561 4.120 0.001 0.000 0.304 395 V C 0.241 176.372 176.094 0.061 0.000 1.073 395 V CA -0.355 61.954 62.300 0.015 0.000 1.064 395 V CB 0.742 32.556 31.823 -0.014 0.000 1.047 395 V HN 0.507 nan 8.190 nan 0.000 0.478 396 L N 2.885 124.170 121.223 0.103 0.000 2.424 396 L HA 0.641 4.981 4.340 0.001 0.000 0.258 396 L C -0.670 176.244 176.870 0.074 0.000 0.995 396 L CA -0.903 53.985 54.840 0.080 0.000 0.821 396 L CB 2.323 44.399 42.059 0.028 0.000 1.383 396 L HN 0.352 nan 8.230 nan 0.000 0.410 397 K N 2.161 122.563 120.400 0.003 0.000 2.559 397 K HA 0.334 4.654 4.320 0.001 0.000 0.249 397 K C -0.812 175.743 176.600 -0.075 0.000 0.958 397 K CA -0.492 55.718 56.287 -0.129 0.000 0.901 397 K CB 0.922 33.346 32.500 -0.127 0.000 1.124 397 K HN 0.679 nan 8.250 nan 0.000 0.437 398 N N 2.873 121.524 118.700 -0.083 0.000 2.727 398 N HA -0.212 4.528 4.740 0.001 0.000 0.251 398 N C -0.901 174.592 175.510 -0.029 0.000 1.040 398 N CA 1.086 54.105 53.050 -0.051 0.000 0.712 398 N CB -1.222 37.238 38.487 -0.046 0.000 0.912 398 N HN 0.768 nan 8.380 nan 0.000 0.545 399 D N -1.937 118.448 120.400 -0.024 0.000 3.018 399 D HA -0.259 4.382 4.640 0.001 0.000 0.224 399 D C 0.006 176.303 176.300 -0.005 0.000 1.185 399 D CA 1.666 55.657 54.000 -0.014 0.000 0.858 399 D CB -0.266 40.524 40.800 -0.017 0.000 1.112 399 D HN 0.690 nan 8.370 nan 0.000 0.415 400 K N 0.505 120.904 120.400 -0.001 0.000 2.367 400 K HA 0.380 4.700 4.320 0.001 0.000 0.263 400 K C -2.738 173.879 176.600 0.029 0.000 1.000 400 K CA -2.301 53.993 56.287 0.011 0.000 0.891 400 K CB 1.301 33.807 32.500 0.009 0.000 1.117 400 K HN -0.234 nan 8.250 nan 0.000 0.443 401 P HA -0.133 nan 4.420 nan 0.000 0.261 401 P C -0.571 176.774 177.300 0.074 0.000 1.165 401 P CA 0.253 63.380 63.100 0.046 0.000 0.759 401 P CB 0.287 32.005 31.700 0.030 0.000 0.772 402 I N 0.417 121.053 120.570 0.110 0.000 3.239 402 I HA 0.606 4.776 4.170 0.001 0.000 0.314 402 I C -0.787 175.427 176.117 0.162 0.000 1.126 402 I CA -1.685 59.717 61.300 0.170 0.000 0.973 402 I CB 1.966 40.137 38.000 0.284 0.000 1.252 402 I HN 0.183 nan 8.210 nan 0.000 0.463 403 R N 1.121 121.746 120.500 0.207 0.000 2.294 403 R HA 0.453 4.793 4.340 0.001 0.000 0.319 403 R C 0.448 176.885 176.300 0.228 0.000 0.984 403 R CA -0.193 55.998 56.100 0.151 0.000 0.861 403 R CB 1.484 31.846 30.300 0.104 0.000 1.104 403 R HN 0.856 nan 8.270 nan 0.000 0.451 404 S N 2.573 118.324 115.700 0.084 0.000 2.356 404 S HA -0.125 4.345 4.470 0.001 0.000 0.223 404 S C 1.826 176.491 174.600 0.108 0.000 1.032 404 S CA 1.495 59.702 58.200 0.012 0.000 1.005 404 S CB -0.173 62.932 63.200 -0.157 0.000 0.867 404 S HN 0.915 nan 8.310 nan 0.000 0.449 405 G N 1.161 109.969 108.800 0.014 0.000 2.532 405 G HA2 -0.260 3.700 3.960 0.001 0.000 0.222 405 G HA3 -0.260 3.700 3.960 0.001 0.000 0.222 405 G C 1.155 176.074 174.900 0.031 0.000 1.102 405 G CA 0.659 45.748 45.100 -0.019 0.000 0.742 405 G HN 0.543 nan 8.290 nan 0.000 0.577 406 Q N -0.908 118.935 119.800 0.073 0.000 2.500 406 Q HA 0.070 4.411 4.340 0.001 0.000 0.213 406 Q C -0.478 175.316 176.000 -0.344 0.000 0.974 406 Q CA 0.243 55.965 55.803 -0.136 0.000 0.918 406 Q CB 0.088 28.694 28.738 -0.221 0.000 0.980 406 Q HN 0.529 nan 8.270 nan 0.000 0.505 407 F N -0.009 119.934 119.950 -0.012 0.000 2.496 407 F HA 0.226 4.753 4.527 0.001 0.000 0.341 407 F C 0.491 176.257 175.800 -0.056 0.000 1.134 407 F CA -1.274 56.724 58.000 -0.004 0.000 0.968 407 F CB 1.283 40.295 39.000 0.022 0.000 1.205 407 F HN -0.171 nan 8.300 nan 0.000 0.436 408 D N 2.368 122.823 120.400 0.091 0.000 2.123 408 D HA -0.149 4.492 4.640 0.001 0.000 0.196 408 D C 2.280 178.589 176.300 0.014 0.000 0.992 408 D CA 1.583 55.602 54.000 0.032 0.000 0.833 408 D CB -0.175 40.643 40.800 0.030 0.000 0.954 408 D HN 0.810 nan 8.370 nan 0.000 0.455 409 G N 1.247 110.083 108.800 0.059 0.000 2.503 409 G HA2 -0.247 3.714 3.960 0.001 0.000 0.221 409 G HA3 -0.247 3.714 3.960 0.001 0.000 0.221 409 G C 1.759 176.613 174.900 -0.075 0.000 1.131 409 G CA 0.428 45.536 45.100 0.015 0.000 0.756 409 G HN 0.270 nan 8.290 nan 0.000 0.572 410 L N 0.000 121.170 121.223 -0.088 0.000 2.240 410 L HA 0.021 4.361 4.340 0.001 0.000 0.211 410 L C 2.897 179.632 176.870 -0.226 0.000 1.106 410 L CA 0.029 54.736 54.840 -0.221 0.000 0.793 410 L CB -0.213 41.651 42.059 -0.324 0.000 0.927 410 L HN 0.094 nan 8.230 nan 0.000 0.446 411 V N 0.178 119.978 119.914 -0.189 0.000 2.343 411 V HA -0.292 3.828 4.120 0.001 0.000 0.247 411 V C 2.426 178.384 176.094 -0.228 0.000 1.051 411 V CA 2.011 64.151 62.300 -0.268 0.000 1.036 411 V CB -0.329 31.368 31.823 -0.210 0.000 0.654 411 V HN 0.497 nan 8.190 nan 0.000 0.451 412 E N -0.396 119.703 120.200 -0.168 0.000 2.208 412 E HA -0.164 4.186 4.350 0.001 0.000 0.193 412 E C 2.214 178.664 176.600 -0.249 0.000 0.988 412 E CA 0.561 56.848 56.400 -0.188 0.000 0.828 412 E CB -0.022 29.609 29.700 -0.115 0.000 0.763 412 E HN 0.423 nan 8.360 nan 0.000 0.478 413 L N 0.896 121.979 121.223 -0.233 0.000 2.017 413 L HA -0.091 4.249 4.340 0.001 0.000 0.208 413 L C 2.240 178.962 176.870 -0.247 0.000 1.073 413 L CA 2.267 56.958 54.840 -0.248 0.000 0.745 413 L CB -1.275 40.632 42.059 -0.254 0.000 0.894 413 L HN 0.190 nan 8.230 nan 0.000 0.432 414 A N -1.269 121.401 122.820 -0.251 0.000 2.015 414 A HA -0.134 4.187 4.320 0.001 0.000 0.219 414 A C 2.158 179.602 177.584 -0.235 0.000 1.163 414 A CA 1.806 53.703 52.037 -0.232 0.000 0.646 414 A CB -0.768 18.081 19.000 -0.253 0.000 0.806 414 A HN 0.519 nan 8.150 nan 0.000 0.448 415 T N 0.345 114.724 114.554 -0.291 0.000 2.812 415 T HA -0.041 4.309 4.350 0.001 0.000 0.264 415 T C 1.792 176.192 174.700 -0.499 0.000 1.042 415 T CA 1.399 63.282 62.100 -0.363 0.000 1.140 415 T CB -0.355 68.248 68.868 -0.442 0.000 0.870 415 T HN 0.437 nan 8.240 nan 0.000 0.445 416 I N 0.886 121.141 120.570 -0.524 0.000 2.179 416 I HA -0.197 3.973 4.170 0.001 0.000 0.242 416 I C 2.599 178.594 176.117 -0.204 0.000 1.088 416 I CA 0.898 61.956 61.300 -0.403 0.000 1.357 416 I CB -0.521 37.325 38.000 -0.256 0.000 1.051 416 I HN 0.316 nan 8.210 nan 0.000 0.409 417 C N 0.745 119.937 119.300 -0.179 0.000 2.422 417 C HA -0.106 4.354 4.460 0.001 0.000 0.279 417 C C 3.109 178.044 174.990 -0.092 0.000 1.305 417 C CA 0.970 59.918 59.018 -0.116 0.000 1.757 417 C CB -1.262 26.409 27.740 -0.116 0.000 1.962 417 C HN 0.603 nan 8.230 nan 0.000 0.499 418 A N -0.010 122.743 122.820 -0.111 0.000 1.903 418 A HA 0.102 4.422 4.320 0.001 0.000 0.213 418 A C 2.062 179.619 177.584 -0.046 0.000 1.185 418 A CA 0.995 52.989 52.037 -0.070 0.000 0.628 418 A CB -0.381 18.580 19.000 -0.066 0.000 0.830 418 A HN 0.551 nan 8.150 nan 0.000 0.446 419 L N -1.209 119.976 121.223 -0.064 0.000 2.095 419 L HA -0.036 4.305 4.340 0.001 0.000 0.204 419 L C 1.637 178.532 176.870 0.043 0.000 1.080 419 L CA 0.441 55.285 54.840 0.008 0.000 0.759 419 L CB -0.376 41.719 42.059 0.060 0.000 0.914 419 L HN 0.433 nan 8.230 nan 0.000 0.439 420 C N 2.591 121.913 119.300 0.036 0.000 3.247 420 C HA 0.260 4.721 4.460 0.001 0.000 0.573 420 C C 0.227 175.235 174.990 0.030 0.000 1.106 420 C CA -0.328 58.724 59.018 0.057 0.000 1.209 420 C CB -2.460 25.323 27.740 0.072 0.000 1.460 420 C HN 0.363 nan 8.230 nan 0.000 0.634 421 N N 1.149 119.863 118.700 0.025 0.000 2.431 421 N HA 0.228 4.969 4.740 0.001 0.000 0.275 421 N C -0.569 174.950 175.510 0.015 0.000 1.091 421 N CA -0.244 52.813 53.050 0.010 0.000 0.922 421 N CB 1.684 40.166 38.487 -0.009 0.000 1.666 421 N HN 0.329 nan 8.380 nan 0.000 0.484 422 D N 0.220 120.628 120.400 0.012 0.000 2.398 422 D HA 0.189 4.829 4.640 0.001 0.000 0.210 422 D C -0.039 176.261 176.300 -0.001 0.000 1.094 422 D CA 0.409 54.418 54.000 0.015 0.000 0.839 422 D CB 0.644 41.460 40.800 0.027 0.000 0.963 422 D HN 0.310 nan 8.370 nan 0.000 0.506 423 S N -0.257 115.434 115.700 -0.016 0.000 2.730 423 S HA 0.693 5.163 4.470 0.001 0.000 0.284 423 S C 0.398 174.980 174.600 -0.030 0.000 1.153 423 S CA -0.557 57.622 58.200 -0.034 0.000 0.995 423 S CB 1.875 65.038 63.200 -0.062 0.000 1.058 423 S HN 0.248 nan 8.310 nan 0.000 0.552 424 S N -0.556 115.119 115.700 -0.041 0.000 2.727 424 S HA 0.699 5.169 4.470 0.001 0.000 0.278 424 S C -1.645 172.937 174.600 -0.031 0.000 1.186 424 S CA -0.937 57.249 58.200 -0.023 0.000 0.836 424 S CB 0.315 63.514 63.200 -0.002 0.000 1.186 424 S HN 0.473 nan 8.310 nan 0.000 0.499 425 L N 0.678 121.911 121.223 0.016 0.000 2.319 425 L HA 0.788 5.128 4.340 0.001 0.000 0.267 425 L C -1.469 175.457 176.870 0.094 0.000 1.011 425 L CA -0.534 54.343 54.840 0.061 0.000 0.818 425 L CB 1.909 44.050 42.059 0.136 0.000 1.316 425 L HN 0.943 nan 8.230 nan 0.000 0.432 426 D N 0.739 121.206 120.400 0.112 0.000 2.613 426 D HA 0.185 4.825 4.640 0.001 0.000 0.230 426 D C -1.232 175.099 176.300 0.052 0.000 1.365 426 D CA -0.400 53.646 54.000 0.076 0.000 0.976 426 D CB 0.988 41.797 40.800 0.016 0.000 1.415 426 D HN 0.193 nan 8.370 nan 0.000 0.589 427 F N 4.500 124.352 119.950 -0.162 0.000 2.494 427 F HA 0.273 4.800 4.527 0.001 0.000 0.369 427 F C 0.320 175.990 175.800 -0.216 0.000 1.098 427 F CA -0.403 57.358 58.000 -0.399 0.000 1.154 427 F CB 0.315 38.910 39.000 -0.674 0.000 1.103 427 F HN 0.319 nan 8.300 nan 0.000 0.549 428 N N 6.166 124.420 118.700 -0.743 0.000 2.605 428 N HA -0.017 4.724 4.740 0.001 0.000 0.258 428 N C 0.927 175.878 175.510 -0.933 0.000 1.156 428 N CA 0.220 52.908 53.050 -0.603 0.000 1.008 428 N CB 0.141 38.431 38.487 -0.328 0.000 1.354 428 N HN 0.793 nan 8.380 nan 0.000 0.509 429 E N 0.945 120.628 120.200 -0.862 0.000 2.169 429 E HA -0.234 4.117 4.350 0.001 0.000 0.202 429 E C 1.055 177.457 176.600 -0.330 0.000 1.016 429 E CA 1.733 57.781 56.400 -0.587 0.000 0.817 429 E CB 0.109 29.714 29.700 -0.159 0.000 0.736 429 E HN 0.599 nan 8.360 nan 0.000 0.462 430 T N 1.300 115.701 114.554 -0.254 0.000 2.520 430 T HA -0.177 4.174 4.350 0.001 0.000 0.258 430 T C 1.775 176.387 174.700 -0.147 0.000 1.125 430 T CA 1.641 63.650 62.100 -0.150 0.000 1.206 430 T CB -0.230 68.568 68.868 -0.117 0.000 0.864 430 T HN -0.003 nan 8.240 nan 0.000 0.400 431 K N 0.653 120.953 120.400 -0.166 0.000 2.103 431 K HA 0.075 4.396 4.320 0.001 0.000 0.207 431 K C 1.563 178.096 176.600 -0.113 0.000 1.048 431 K CA 1.115 57.332 56.287 -0.117 0.000 0.930 431 K CB -0.714 31.724 32.500 -0.103 0.000 0.716 431 K HN 0.603 nan 8.250 nan 0.000 0.444 432 G N -0.283 108.369 108.800 -0.247 0.000 2.132 432 G HA2 -0.194 3.767 3.960 0.001 0.000 0.228 432 G HA3 -0.194 3.767 3.960 0.001 0.000 0.228 432 G C -0.161 174.781 174.900 0.069 0.000 1.000 432 G CA 0.100 45.132 45.100 -0.113 0.000 0.693 432 G HN 0.434 nan 8.290 nan 0.000 0.515 433 V N -3.463 116.393 119.914 -0.096 0.000 2.841 433 V HA 0.781 4.902 4.120 0.001 0.000 0.310 433 V C -0.032 176.139 176.094 0.128 0.000 1.090 433 V CA -2.384 60.010 62.300 0.156 0.000 0.930 433 V CB 1.380 33.282 31.823 0.132 0.000 1.014 433 V HN 0.351 nan 8.190 nan 0.000 0.425 434 Y N 2.081 122.547 120.300 0.276 0.000 2.650 434 Y HA 0.359 4.909 4.550 0.001 0.000 0.342 434 Y C 1.016 177.010 175.900 0.157 0.000 1.110 434 Y CA 0.322 58.571 58.100 0.248 0.000 1.438 434 Y CB -0.039 38.566 38.460 0.243 0.000 1.181 434 Y HN 0.697 nan 8.280 nan 0.000 0.526 435 E N 3.543 123.845 120.200 0.171 0.000 2.283 435 E HA 0.279 4.629 4.350 0.001 0.000 0.267 435 E C -0.465 176.146 176.600 0.019 0.000 1.045 435 E CA -1.192 55.270 56.400 0.103 0.000 0.884 435 E CB 1.138 30.850 29.700 0.021 0.000 1.106 435 E HN 0.485 nan 8.360 nan 0.000 0.408 436 K N -0.514 119.821 120.400 -0.107 0.000 2.118 436 K HA 0.473 4.793 4.320 0.001 0.000 0.264 436 K C -0.755 175.760 176.600 -0.142 0.000 1.000 436 K CA -0.695 55.427 56.287 -0.275 0.000 0.929 436 K CB 1.062 33.197 32.500 -0.609 0.000 1.021 436 K HN 0.123 nan 8.250 nan 0.000 0.463 437 V N 1.663 121.499 119.914 -0.130 0.000 2.340 437 V HA 0.550 4.671 4.120 0.001 0.000 0.277 437 V C 0.264 176.313 176.094 -0.075 0.000 1.017 437 V CA 0.202 62.458 62.300 -0.073 0.000 0.820 437 V CB 0.069 31.867 31.823 -0.041 0.000 1.028 437 V HN 1.188 nan 8.190 nan 0.000 0.436 438 G N 4.037 112.797 108.800 -0.067 0.000 2.306 438 G HA2 -0.041 3.919 3.960 0.001 0.000 0.262 438 G HA3 -0.041 3.919 3.960 0.001 0.000 0.262 438 G C -0.604 174.257 174.900 -0.065 0.000 1.263 438 G CA -0.200 44.868 45.100 -0.054 0.000 1.088 438 G HN 0.777 nan 8.290 nan 0.000 0.489 439 E N 0.510 120.676 120.200 -0.057 0.000 2.343 439 E HA 0.580 4.930 4.350 0.001 0.000 0.269 439 E C 1.595 178.159 176.600 -0.059 0.000 1.047 439 E CA 0.350 56.720 56.400 -0.050 0.000 0.874 439 E CB 1.279 30.948 29.700 -0.051 0.000 1.033 439 E HN 1.160 nan 8.360 nan 0.000 0.409 440 A N 3.376 126.189 122.820 -0.013 0.000 1.908 440 A HA -0.182 4.138 4.320 0.001 0.000 0.218 440 A C 2.099 179.724 177.584 0.069 0.000 1.181 440 A CA 2.194 54.269 52.037 0.065 0.000 0.627 440 A CB -0.852 18.238 19.000 0.150 0.000 0.818 440 A HN 0.795 nan 8.150 nan 0.000 0.445 441 T N 0.061 114.625 114.554 0.017 0.000 2.684 441 T HA -0.160 4.190 4.350 0.001 0.000 0.267 441 T C 1.765 176.461 174.700 -0.007 0.000 1.036 441 T CA 1.777 63.878 62.100 0.002 0.000 1.148 441 T CB -0.276 68.563 68.868 -0.048 0.000 0.863 441 T HN 0.675 nan 8.240 nan 0.000 0.436 442 E N 0.338 120.517 120.200 -0.034 0.000 2.158 442 E HA -0.051 4.299 4.350 0.001 0.000 0.191 442 E C 2.386 178.964 176.600 -0.037 0.000 0.982 442 E CA 1.086 57.465 56.400 -0.036 0.000 0.823 442 E CB -0.178 29.495 29.700 -0.044 0.000 0.766 442 E HN 0.410 nan 8.360 nan 0.000 0.468 443 T N 1.175 115.689 114.554 -0.067 0.000 2.867 443 T HA -0.102 4.249 4.350 0.001 0.000 0.268 443 T C 2.020 176.720 174.700 -0.001 0.000 1.057 443 T CA 1.022 63.047 62.100 -0.125 0.000 1.136 443 T CB -0.115 68.517 68.868 -0.393 0.000 0.874 443 T HN 0.210 nan 8.240 nan 0.000 0.466 444 A N 1.075 123.958 122.820 0.106 0.000 1.972 444 A HA 0.023 4.344 4.320 0.001 0.000 0.219 444 A C 2.093 179.710 177.584 0.055 0.000 1.169 444 A CA 1.055 53.186 52.037 0.157 0.000 0.635 444 A CB -0.562 18.515 19.000 0.128 0.000 0.810 444 A HN 0.337 nan 8.150 nan 0.000 0.446 445 L N -0.610 120.622 121.223 0.015 0.000 2.131 445 L HA -0.048 4.293 4.340 0.001 0.000 0.206 445 L C 2.658 179.511 176.870 -0.027 0.000 1.087 445 L CA 2.244 57.073 54.840 -0.018 0.000 0.767 445 L CB -1.265 40.776 42.059 -0.030 0.000 0.917 445 L HN 0.338 nan 8.230 nan 0.000 0.441 446 T N -1.397 113.144 114.554 -0.020 0.000 2.746 446 T HA -0.179 4.172 4.350 0.001 0.000 0.267 446 T C 1.816 176.507 174.700 -0.015 0.000 1.039 446 T CA 1.918 64.004 62.100 -0.023 0.000 1.142 446 T CB -0.331 68.521 68.868 -0.026 0.000 0.866 446 T HN 0.302 nan 8.240 nan 0.000 0.444 447 T N 2.256 116.817 114.554 0.011 0.000 2.821 447 T HA -0.011 4.339 4.350 0.001 0.000 0.267 447 T C 1.874 176.561 174.700 -0.022 0.000 1.046 447 T CA 0.710 62.819 62.100 0.015 0.000 1.139 447 T CB -0.408 68.519 68.868 0.098 0.000 0.871 447 T HN 0.134 nan 8.240 nan 0.000 0.454 448 L N 1.353 122.560 121.223 -0.025 0.000 2.083 448 L HA -0.004 4.336 4.340 0.001 0.000 0.209 448 L C 2.342 179.166 176.870 -0.077 0.000 1.083 448 L CA 1.444 56.251 54.840 -0.054 0.000 0.752 448 L CB -0.706 41.318 42.059 -0.058 0.000 0.899 448 L HN 0.062 nan 8.230 nan 0.000 0.433 449 V N -0.136 119.734 119.914 -0.073 0.000 2.407 449 V HA -0.208 3.912 4.120 0.001 0.000 0.248 449 V C 2.605 178.655 176.094 -0.074 0.000 1.055 449 V CA 1.709 63.958 62.300 -0.085 0.000 1.049 449 V CB -0.686 31.094 31.823 -0.071 0.000 0.662 449 V HN 0.460 nan 8.190 nan 0.000 0.455 450 E N 0.204 120.369 120.200 -0.058 0.000 2.150 450 E HA -0.171 4.179 4.350 0.001 0.000 0.193 450 E C 2.184 178.744 176.600 -0.066 0.000 0.985 450 E CA 0.970 57.337 56.400 -0.055 0.000 0.814 450 E CB -0.149 29.516 29.700 -0.058 0.000 0.752 450 E HN 0.602 nan 8.360 nan 0.000 0.466 451 K N -0.167 120.188 120.400 -0.073 0.000 2.137 451 K HA 0.111 4.432 4.320 0.001 0.000 0.202 451 K C 2.243 178.797 176.600 -0.076 0.000 1.052 451 K CA 0.591 56.834 56.287 -0.072 0.000 0.961 451 K CB 0.010 32.468 32.500 -0.071 0.000 0.741 451 K HN 0.049 nan 8.250 nan 0.000 0.452 452 M N 0.708 120.249 119.600 -0.098 0.000 2.156 452 M HA -0.095 4.385 4.480 0.001 0.000 0.264 452 M C 0.455 176.685 176.300 -0.117 0.000 1.067 452 M CA 0.542 55.767 55.300 -0.124 0.000 1.131 452 M CB -0.246 32.251 32.600 -0.172 0.000 1.368 452 M HN 0.156 nan 8.290 nan 0.000 0.416 453 N N 1.458 120.092 118.700 -0.110 0.000 2.650 453 N HA -0.130 4.610 4.740 0.001 0.000 0.272 453 N C 0.365 175.789 175.510 -0.143 0.000 1.058 453 N CA 0.614 53.610 53.050 -0.091 0.000 0.765 453 N CB -0.255 38.207 38.487 -0.042 0.000 0.902 453 N HN 0.350 nan 8.380 nan 0.000 0.551 454 V N -1.429 118.309 119.914 -0.295 0.000 3.078 454 V HA -0.015 4.105 4.120 0.001 0.000 0.265 454 V C 1.326 177.118 176.094 -0.504 0.000 1.122 454 V CA 1.265 63.299 62.300 -0.442 0.000 1.141 454 V CB -0.726 30.707 31.823 -0.649 0.000 0.735 454 V HN 0.285 nan 8.190 nan 0.000 0.498 455 F N 1.189 121.124 119.950 -0.024 0.000 2.668 455 F HA 0.497 5.025 4.527 0.001 0.000 0.301 455 F C 1.026 176.818 175.800 -0.013 0.000 1.106 455 F CA -1.360 56.629 58.000 -0.019 0.000 1.289 455 F CB -0.854 38.133 39.000 -0.023 0.000 1.006 455 F HN 0.196 nan 8.300 nan 0.000 0.535 456 N N 0.557 119.315 118.700 0.096 0.000 2.708 456 N HA -0.187 4.553 4.740 0.001 0.000 0.251 456 N C 0.066 175.617 175.510 0.069 0.000 1.017 456 N CA 1.054 54.142 53.050 0.063 0.000 0.742 456 N CB -1.706 36.815 38.487 0.056 0.000 0.943 456 N HN 0.178 nan 8.380 nan 0.000 0.539 457 T N 1.006 115.609 114.554 0.082 0.000 2.900 457 T HA 0.026 4.376 4.350 0.001 0.000 0.307 457 T C 0.836 175.556 174.700 0.034 0.000 1.065 457 T CA -0.062 62.075 62.100 0.062 0.000 1.105 457 T CB 1.069 69.979 68.868 0.070 0.000 0.979 457 T HN -0.005 nan 8.240 nan 0.000 0.544 458 E N 2.832 123.047 120.200 0.025 0.000 1.861 458 E HA 0.145 4.496 4.350 0.001 0.000 0.263 458 E C 1.153 177.760 176.600 0.011 0.000 1.137 458 E CA -0.095 56.314 56.400 0.015 0.000 0.944 458 E CB 0.431 30.138 29.700 0.011 0.000 1.092 458 E HN 0.529 nan 8.360 nan 0.000 0.420 459 V N 1.350 121.269 119.914 0.009 0.000 3.354 459 V HA -0.016 4.104 4.120 0.001 0.000 0.258 459 V C 1.666 177.759 176.094 -0.001 0.000 1.159 459 V CA 0.475 62.778 62.300 0.005 0.000 1.125 459 V CB -0.470 31.354 31.823 0.002 0.000 0.774 459 V HN 0.415 nan 8.190 nan 0.000 0.464 460 R N 0.888 121.386 120.500 -0.002 0.000 2.343 460 R HA 0.147 4.487 4.340 0.001 0.000 0.202 460 R C 0.988 177.285 176.300 -0.005 0.000 1.023 460 R CA 1.388 57.485 56.100 -0.005 0.000 1.084 460 R CB -1.040 29.258 30.300 -0.005 0.000 0.956 460 R HN 0.680 nan 8.270 nan 0.000 0.478 461 N N -0.024 118.675 118.700 -0.002 0.000 2.460 461 N HA 0.154 4.894 4.740 0.001 0.000 0.193 461 N C 0.014 175.521 175.510 -0.004 0.000 1.080 461 N CA -0.400 52.648 53.050 -0.002 0.000 0.869 461 N CB 0.366 38.854 38.487 0.001 0.000 1.201 461 N HN 0.017 nan 8.380 nan 0.000 0.457 462 L N 1.475 122.697 121.223 -0.003 0.000 2.472 462 L HA 0.118 4.458 4.340 0.001 0.000 0.260 462 L C 1.342 178.202 176.870 -0.016 0.000 1.209 462 L CA -0.414 54.424 54.840 -0.003 0.000 0.817 462 L CB 0.539 42.602 42.059 0.006 0.000 1.106 462 L HN 0.215 nan 8.230 nan 0.000 0.479 463 S N 0.607 116.293 115.700 -0.023 0.000 2.401 463 S HA 0.093 4.563 4.470 0.001 0.000 0.249 463 S C 0.791 175.327 174.600 -0.106 0.000 1.237 463 S CA -0.300 57.867 58.200 -0.055 0.000 1.000 463 S CB 0.439 63.615 63.200 -0.041 0.000 1.013 463 S HN 0.519 nan 8.310 nan 0.000 0.494 464 K N -0.606 119.653 120.400 -0.236 0.000 2.323 464 K HA 0.352 4.673 4.320 0.001 0.000 0.197 464 K C 1.469 177.792 176.600 -0.462 0.000 1.043 464 K CA 0.550 56.505 56.287 -0.552 0.000 0.997 464 K CB -0.454 31.272 32.500 -1.290 0.000 0.807 464 K HN 0.415 nan 8.250 nan 0.000 0.497 465 V N 0.559 120.392 119.914 -0.134 0.000 3.174 465 V HA 0.008 4.128 4.120 0.001 0.000 0.254 465 V C 1.165 177.291 176.094 0.053 0.000 1.120 465 V CA 1.085 63.414 62.300 0.048 0.000 1.114 465 V CB -0.074 31.812 31.823 0.106 0.000 0.756 465 V HN 0.252 nan 8.190 nan 0.000 0.467 466 E N 0.092 120.308 120.200 0.027 0.000 2.364 466 E HA -0.025 4.325 4.350 0.001 0.000 0.196 466 E C 2.151 178.785 176.600 0.057 0.000 0.990 466 E CA -0.049 56.375 56.400 0.039 0.000 0.886 466 E CB 0.109 29.822 29.700 0.020 0.000 0.866 466 E HN 0.260 nan 8.360 nan 0.000 0.493 467 R N 1.767 122.310 120.500 0.072 0.000 2.148 467 R HA 0.012 4.352 4.340 0.001 0.000 0.223 467 R C 1.904 178.287 176.300 0.139 0.000 1.088 467 R CA 1.293 57.446 56.100 0.089 0.000 0.985 467 R CB -0.536 29.819 30.300 0.092 0.000 0.880 467 R HN 0.140 nan 8.270 nan 0.000 0.451 468 A N 0.906 123.887 122.820 0.269 0.000 1.852 468 A HA -0.178 4.142 4.320 0.001 0.000 0.217 468 A C 1.047 178.710 177.584 0.131 0.000 1.215 468 A CA 1.936 54.153 52.037 0.299 0.000 0.641 468 A CB -0.549 18.646 19.000 0.325 0.000 0.838 468 A HN 0.465 nan 8.150 nan 0.000 0.450 469 N N -0.390 118.369 118.700 0.098 0.000 2.671 469 N HA 0.459 5.199 4.740 0.001 0.000 0.303 469 N C 0.750 176.285 175.510 0.043 0.000 1.351 469 N CA 0.659 53.743 53.050 0.057 0.000 0.991 469 N CB 0.774 39.291 38.487 0.050 0.000 1.307 469 N HN 0.493 nan 8.380 nan 0.000 0.512 470 A N -0.127 122.717 122.820 0.040 0.000 1.835 470 A HA -0.053 4.267 4.320 0.001 0.000 0.213 470 A C 2.171 179.775 177.584 0.034 0.000 1.210 470 A CA 0.906 52.963 52.037 0.033 0.000 0.605 470 A CB -0.599 18.418 19.000 0.028 0.000 0.860 470 A HN 0.489 nan 8.150 nan 0.000 0.447 471 C N 0.339 119.655 119.300 0.028 0.000 2.432 471 C HA -0.035 4.425 4.460 0.001 0.000 0.282 471 C C 2.601 177.617 174.990 0.043 0.000 1.388 471 C CA 0.761 59.803 59.018 0.040 0.000 1.777 471 C CB -1.558 26.186 27.740 0.007 0.000 1.882 471 C HN 0.578 nan 8.230 nan 0.000 0.520 472 N N 1.153 119.866 118.700 0.023 0.000 2.135 472 N HA -0.083 4.657 4.740 0.001 0.000 0.186 472 N C 1.907 177.434 175.510 0.029 0.000 1.027 472 N CA 1.324 54.384 53.050 0.017 0.000 0.849 472 N CB -0.335 38.157 38.487 0.007 0.000 1.002 472 N HN 0.418 nan 8.380 nan 0.000 0.425 473 S N 0.755 116.472 115.700 0.029 0.000 2.400 473 S HA -0.066 4.404 4.470 0.001 0.000 0.232 473 S C 2.257 176.873 174.600 0.026 0.000 1.025 473 S CA 0.637 58.853 58.200 0.026 0.000 0.993 473 S CB -0.212 63.002 63.200 0.023 0.000 0.808 473 S HN 0.093 nan 8.310 nan 0.000 0.478 474 V N 2.049 121.989 119.914 0.043 0.000 2.295 474 V HA -0.154 3.967 4.120 0.001 0.000 0.246 474 V C 1.997 178.114 176.094 0.037 0.000 1.049 474 V CA 1.538 63.860 62.300 0.037 0.000 1.024 474 V CB -0.615 31.265 31.823 0.094 0.000 0.648 474 V HN 0.488 nan 8.190 nan 0.000 0.447 475 I N -0.652 119.981 120.570 0.105 0.000 2.493 475 I HA -0.167 4.004 4.170 0.001 0.000 0.254 475 I C 2.646 178.789 176.117 0.044 0.000 1.160 475 I CA 1.170 62.539 61.300 0.116 0.000 1.445 475 I CB -0.422 37.644 38.000 0.110 0.000 1.086 475 I HN 0.216 nan 8.210 nan 0.000 0.433 476 R N 0.463 120.981 120.500 0.030 0.000 2.148 476 R HA -0.100 4.241 4.340 0.001 0.000 0.223 476 R C 2.041 178.349 176.300 0.014 0.000 1.088 476 R CA 0.786 56.900 56.100 0.023 0.000 0.985 476 R CB -0.063 30.249 30.300 0.021 0.000 0.880 476 R HN 0.412 nan 8.270 nan 0.000 0.451 477 Q N 0.257 120.056 119.800 -0.002 0.000 2.378 477 Q HA 0.008 4.348 4.340 0.001 0.000 0.205 477 Q C 1.932 177.915 176.000 -0.029 0.000 0.954 477 Q CA 0.766 56.559 55.803 -0.017 0.000 0.901 477 Q CB 0.285 29.004 28.738 -0.032 0.000 0.981 477 Q HN 0.405 nan 8.270 nan 0.000 0.483 478 L N -0.893 120.312 121.223 -0.030 0.000 2.375 478 L HA 0.124 4.465 4.340 0.001 0.000 0.215 478 L C 0.537 177.413 176.870 0.011 0.000 1.108 478 L CA 0.462 55.281 54.840 -0.035 0.000 0.830 478 L CB 0.214 42.237 42.059 -0.061 0.000 0.959 478 L HN 0.115 nan 8.230 nan 0.000 0.457 479 M N -0.056 119.567 119.600 0.037 0.000 2.386 479 M HA 0.288 4.768 4.480 0.001 0.000 0.293 479 M C -0.866 175.464 176.300 0.049 0.000 1.120 479 M CA -0.380 54.958 55.300 0.064 0.000 0.909 479 M CB 2.328 35.020 32.600 0.153 0.000 1.661 479 M HN -0.167 nan 8.290 nan 0.000 0.452 480 K N 2.630 123.051 120.400 0.035 0.000 2.253 480 K HA 0.262 4.583 4.320 0.001 0.000 0.277 480 K C -0.330 176.287 176.600 0.029 0.000 1.053 480 K CA -0.321 55.985 56.287 0.032 0.000 0.892 480 K CB 1.054 33.571 32.500 0.029 0.000 1.102 480 K HN 0.616 nan 8.250 nan 0.000 0.469 481 K N 4.952 125.372 120.400 0.033 0.000 2.338 481 K HA 0.004 4.324 4.320 0.001 0.000 0.290 481 K C 0.358 176.974 176.600 0.026 0.000 1.069 481 K CA -0.236 56.060 56.287 0.016 0.000 0.941 481 K CB 0.711 33.227 32.500 0.028 0.000 1.023 481 K HN 0.609 nan 8.250 nan 0.000 0.477 482 E N 3.675 123.884 120.200 0.015 0.000 2.008 482 E HA -0.059 4.291 4.350 0.001 0.000 0.191 482 E C 0.482 177.183 176.600 0.169 0.000 0.986 482 E CA 1.234 57.693 56.400 0.098 0.000 0.807 482 E CB -0.157 29.638 29.700 0.159 0.000 0.766 482 E HN 0.582 nan 8.360 nan 0.000 0.450 483 F N -1.137 118.837 119.950 0.040 0.000 2.692 483 F HA 0.608 5.135 4.527 0.001 0.000 0.320 483 F C -0.553 175.260 175.800 0.021 0.000 1.123 483 F CA -1.254 56.751 58.000 0.007 0.000 0.961 483 F CB 1.511 40.481 39.000 -0.050 0.000 1.383 483 F HN -0.204 nan 8.300 nan 0.000 0.483 484 T N 0.230 114.914 114.554 0.218 0.000 2.886 484 T HA 0.650 5.001 4.350 0.001 0.000 0.292 484 T C -1.292 173.470 174.700 0.103 0.000 1.012 484 T CA -0.735 61.421 62.100 0.094 0.000 0.982 484 T CB 1.273 70.189 68.868 0.080 0.000 1.018 484 T HN 0.842 nan 8.240 nan 0.000 0.451 485 L N 3.711 124.917 121.223 -0.029 0.000 2.282 485 L HA 0.395 4.736 4.340 0.001 0.000 0.287 485 L C 0.236 177.118 176.870 0.019 0.000 1.075 485 L CA -0.986 53.660 54.840 -0.325 0.000 0.839 485 L CB 0.267 42.012 42.059 -0.523 0.000 1.219 485 L HN 0.722 nan 8.230 nan 0.000 0.434 486 E N 1.995 122.320 120.200 0.207 0.000 2.459 486 E HA -0.024 4.326 4.350 0.001 0.000 0.264 486 E C -0.369 176.438 176.600 0.344 0.000 1.055 486 E CA -0.081 56.498 56.400 0.299 0.000 0.957 486 E CB 0.333 30.232 29.700 0.331 0.000 0.952 486 E HN 0.306 nan 8.360 nan 0.000 0.448 487 F N 1.440 121.494 119.950 0.173 0.000 2.450 487 F HA 0.313 4.841 4.527 0.001 0.000 0.339 487 F C 0.023 175.918 175.800 0.158 0.000 1.146 487 F CA 0.074 58.165 58.000 0.151 0.000 1.267 487 F CB 0.610 39.675 39.000 0.108 0.000 1.178 487 F HN 0.427 nan 8.300 nan 0.000 0.585 488 S N 4.930 120.114 115.700 -0.860 0.000 2.535 488 S HA 0.397 4.867 4.470 0.001 0.000 0.272 488 S C 0.171 174.271 174.600 -0.833 0.000 1.149 488 S CA -1.144 56.728 58.200 -0.546 0.000 0.888 488 S CB 1.896 64.993 63.200 -0.172 0.000 1.110 488 S HN 0.814 nan 8.310 nan 0.000 0.463 489 R N 1.111 121.369 120.500 -0.405 0.000 2.170 489 R HA -0.162 4.178 4.340 0.001 0.000 0.242 489 R C 1.175 177.384 176.300 -0.152 0.000 1.145 489 R CA 2.274 58.257 56.100 -0.195 0.000 0.984 489 R CB -0.734 29.570 30.300 0.007 0.000 0.869 489 R HN 0.874 nan 8.270 nan 0.000 0.455 490 D N 0.840 121.151 120.400 -0.148 0.000 2.078 490 D HA -0.225 4.415 4.640 0.001 0.000 0.193 490 D C 1.853 178.099 176.300 -0.090 0.000 0.990 490 D CA 1.391 55.337 54.000 -0.091 0.000 0.827 490 D CB -0.451 40.300 40.800 -0.080 0.000 0.975 490 D HN 0.346 nan 8.370 nan 0.000 0.451 491 R N 0.266 120.690 120.500 -0.126 0.000 2.276 491 R HA 0.142 4.482 4.340 0.001 0.000 0.196 491 R C 0.217 176.474 176.300 -0.071 0.000 0.961 491 R CA -0.037 56.020 56.100 -0.071 0.000 1.024 491 R CB -0.301 29.979 30.300 -0.033 0.000 0.940 491 R HN -0.068 nan 8.270 nan 0.000 0.480 492 K N 1.600 121.874 120.400 -0.209 0.000 3.148 492 K HA -0.187 4.133 4.320 0.001 0.000 0.267 492 K C -0.909 175.789 176.600 0.164 0.000 0.996 492 K CA 0.932 57.174 56.287 -0.074 0.000 0.737 492 K CB -1.419 31.151 32.500 0.117 0.000 1.308 492 K HN 0.708 nan 8.250 nan 0.000 0.470 493 S N -0.987 114.757 115.700 0.073 0.000 2.615 493 S HA 0.781 5.252 4.470 0.001 0.000 0.269 493 S C -0.883 173.886 174.600 0.282 0.000 1.161 493 S CA -1.156 57.196 58.200 0.253 0.000 0.817 493 S CB 2.765 66.059 63.200 0.157 0.000 1.131 493 S HN 0.313 nan 8.310 nan 0.000 0.467 494 M N 1.827 121.590 119.600 0.272 0.000 2.470 494 M HA 0.697 5.177 4.480 0.001 0.000 0.285 494 M C -1.711 174.680 176.300 0.152 0.000 1.213 494 M CA -0.166 55.275 55.300 0.236 0.000 0.901 494 M CB 2.070 34.839 32.600 0.281 0.000 1.718 494 M HN 1.279 nan 8.290 nan 0.000 0.469 495 S N 2.340 118.105 115.700 0.107 0.000 2.607 495 S HA 0.881 5.351 4.470 0.001 0.000 0.273 495 S C -1.179 173.429 174.600 0.014 0.000 1.148 495 S CA -0.547 57.693 58.200 0.067 0.000 0.833 495 S CB 1.753 64.988 63.200 0.057 0.000 1.130 495 S HN 1.254 nan 8.310 nan 0.000 0.470 496 V N -0.570 119.330 119.914 -0.024 0.000 2.709 496 V HA 0.715 4.836 4.120 0.001 0.000 0.308 496 V C -1.340 174.593 176.094 -0.268 0.000 1.062 496 V CA -0.934 61.301 62.300 -0.108 0.000 0.901 496 V CB 1.148 32.966 31.823 -0.008 0.000 1.003 496 V HN 1.005 nan 8.190 nan 0.000 0.425 497 Y N 3.336 123.229 120.300 -0.678 0.000 2.327 497 Y HA 0.732 5.282 4.550 0.001 0.000 0.336 497 Y C 0.010 175.594 175.900 -0.527 0.000 1.035 497 Y CA -0.239 57.391 58.100 -0.783 0.000 1.165 497 Y CB 1.069 38.596 38.460 -1.554 0.000 1.181 497 Y HN 1.020 nan 8.280 nan 0.000 0.494 498 C N 3.478 122.442 119.300 -0.562 0.000 2.802 498 C HA 0.796 5.256 4.460 0.001 0.000 0.307 498 C C -0.755 174.068 174.990 -0.278 0.000 1.222 498 C CA -0.916 57.930 59.018 -0.287 0.000 1.580 498 C CB 1.295 28.926 27.740 -0.182 0.000 2.119 498 C HN 0.890 nan 8.230 nan 0.000 0.479 499 S N 1.400 117.046 115.700 -0.089 0.000 2.548 499 S HA 0.763 5.233 4.470 0.001 0.000 0.286 499 S C -3.154 171.435 174.600 -0.019 0.000 1.098 499 S CA -1.109 57.059 58.200 -0.053 0.000 0.930 499 S CB 1.713 64.926 63.200 0.022 0.000 1.070 499 S HN 0.626 nan 8.310 nan 0.000 0.480 500 P HA 0.155 nan 4.420 nan 0.000 0.268 500 P C 0.694 177.995 177.300 0.002 0.000 1.208 500 P CA -0.081 63.018 63.100 -0.002 0.000 0.777 500 P CB 0.539 32.235 31.700 -0.007 0.000 0.875 501 A N 3.078 125.897 122.820 -0.001 0.000 1.826 501 A HA -0.090 4.230 4.320 0.001 0.000 0.214 501 A C 1.247 178.828 177.584 -0.006 0.000 1.212 501 A CA 1.459 53.494 52.037 -0.003 0.000 0.605 501 A CB -0.833 18.160 19.000 -0.011 0.000 0.861 501 A HN 0.487 nan 8.150 nan 0.000 0.447 502 K N 1.030 121.423 120.400 -0.012 0.000 2.183 502 K HA 0.408 4.728 4.320 0.001 0.000 0.272 502 K C -0.800 175.794 176.600 -0.009 0.000 1.113 502 K CA 0.409 56.688 56.287 -0.012 0.000 0.949 502 K CB -0.289 32.200 32.500 -0.019 0.000 1.365 502 K HN 0.215 nan 8.250 nan 0.000 0.420 503 S N 2.600 118.297 115.700 -0.005 0.000 2.614 503 S HA 0.513 4.983 4.470 0.001 0.000 0.275 503 S C -0.573 174.027 174.600 -0.001 0.000 1.161 503 S CA -0.673 57.525 58.200 -0.003 0.000 0.969 503 S CB 0.877 64.075 63.200 -0.002 0.000 1.059 503 S HN 0.540 nan 8.310 nan 0.000 0.482 504 S N 2.902 118.601 115.700 -0.001 0.000 2.477 504 S HA 0.424 4.894 4.470 0.001 0.000 0.261 504 S C 0.110 174.712 174.600 0.002 0.000 1.197 504 S CA -0.742 57.458 58.200 0.000 0.000 1.015 504 S CB 0.029 63.228 63.200 -0.001 0.000 1.077 504 S HN 0.692 nan 8.310 nan 0.000 0.505 505 R N 1.816 122.317 120.500 0.002 0.000 2.808 505 R HA 0.335 4.676 4.340 0.001 0.000 0.248 505 R C -0.358 175.944 176.300 0.003 0.000 1.539 505 R CA 0.007 56.110 56.100 0.004 0.000 1.071 505 R CB -1.666 28.636 30.300 0.003 0.000 1.172 505 R HN 0.512 nan 8.270 nan 0.000 0.579 506 A N 0.334 123.157 122.820 0.005 0.000 2.475 506 A HA 0.709 5.029 4.320 0.001 0.000 0.301 506 A C -0.051 177.538 177.584 0.008 0.000 1.059 506 A CA -0.417 51.622 52.037 0.004 0.000 0.710 506 A CB 1.870 20.871 19.000 0.001 0.000 1.288 506 A HN 0.436 nan 8.150 nan 0.000 0.408 507 A N 0.943 123.768 122.820 0.008 0.000 2.574 507 A HA 0.566 4.887 4.320 0.001 0.000 0.283 507 A C -0.301 177.289 177.584 0.010 0.000 1.270 507 A CA 0.014 52.059 52.037 0.014 0.000 0.945 507 A CB -0.170 18.839 19.000 0.014 0.000 1.127 507 A HN 1.105 nan 8.150 nan 0.000 0.522 508 V N -1.097 118.817 119.914 0.000 0.000 2.623 508 V HA 0.740 4.860 4.120 0.001 0.000 0.304 508 V C 0.738 176.818 176.094 -0.023 0.000 1.054 508 V CA 0.191 62.484 62.300 -0.012 0.000 0.882 508 V CB 1.262 33.078 31.823 -0.012 0.000 1.002 508 V HN 0.805 nan 8.190 nan 0.000 0.424 509 G N 3.795 112.568 108.800 -0.045 0.000 2.902 509 G HA2 -0.127 3.833 3.960 0.001 0.000 0.215 509 G HA3 -0.127 3.833 3.960 0.001 0.000 0.215 509 G C -0.033 174.801 174.900 -0.110 0.000 0.976 509 G CA -0.374 44.690 45.100 -0.059 0.000 0.794 509 G HN 0.622 nan 8.290 nan 0.000 0.557 510 N N 1.249 119.864 118.700 -0.142 0.000 2.508 510 N HA 0.506 5.247 4.740 0.001 0.000 0.264 510 N C -0.488 174.751 175.510 -0.451 0.000 1.216 510 N CA 0.238 53.110 53.050 -0.297 0.000 0.943 510 N CB 0.574 38.903 38.487 -0.263 0.000 1.113 510 N HN -0.020 nan 8.380 nan 0.000 0.447 511 K N 1.738 121.720 120.400 -0.697 0.000 2.502 511 K HA 0.399 4.719 4.320 0.001 0.000 0.257 511 K C -1.086 174.878 176.600 -1.060 0.000 0.938 511 K CA -0.442 55.371 56.287 -0.789 0.000 0.819 511 K CB 2.235 34.250 32.500 -0.809 0.000 1.333 511 K HN 0.476 nan 8.250 nan 0.000 0.434 512 M N 2.131 121.255 119.600 -0.793 0.000 2.167 512 M HA 0.409 4.889 4.480 0.001 0.000 0.333 512 M C -1.117 174.910 176.300 -0.455 0.000 1.030 512 M CA -0.727 54.219 55.300 -0.590 0.000 0.963 512 M CB 0.749 33.186 32.600 -0.272 0.000 1.589 512 M HN 0.313 nan 8.290 nan 0.000 0.431 513 F N 3.064 122.943 119.950 -0.119 0.000 2.404 513 F HA 0.526 5.054 4.527 0.001 0.000 0.354 513 F C -0.058 175.717 175.800 -0.042 0.000 1.122 513 F CA -0.960 56.993 58.000 -0.079 0.000 1.080 513 F CB 0.866 39.817 39.000 -0.083 0.000 1.131 513 F HN 0.136 nan 8.300 nan 0.000 0.471 514 V N 3.687 123.700 119.914 0.164 0.000 2.581 514 V HA 0.572 4.692 4.120 0.001 0.000 0.303 514 V C -0.330 175.818 176.094 0.091 0.000 1.041 514 V CA -1.134 61.234 62.300 0.114 0.000 0.907 514 V CB 1.987 33.872 31.823 0.103 0.000 0.994 514 V HN 0.691 nan 8.190 nan 0.000 0.442 515 K N 1.958 122.418 120.400 0.101 0.000 2.501 515 K HA 0.784 5.104 4.320 0.001 0.000 0.252 515 K C -0.514 176.168 176.600 0.138 0.000 0.934 515 K CA -0.067 56.271 56.287 0.086 0.000 0.797 515 K CB 2.360 34.898 32.500 0.063 0.000 1.270 515 K HN 1.050 nan 8.250 nan 0.000 0.431 516 G N 0.996 109.877 108.800 0.134 0.000 2.320 516 G HA2 0.456 4.416 3.960 0.001 0.000 0.296 516 G HA3 0.456 4.416 3.960 0.001 0.000 0.296 516 G C -1.551 173.446 174.900 0.162 0.000 1.306 516 G CA -0.434 44.781 45.100 0.191 0.000 0.836 516 G HN 0.682 nan 8.290 nan 0.000 0.517 517 A N 0.485 123.418 122.820 0.189 0.000 2.540 517 A HA 0.544 4.864 4.320 0.001 0.000 0.239 517 A C -0.698 176.963 177.584 0.128 0.000 1.061 517 A CA 0.277 52.405 52.037 0.152 0.000 0.758 517 A CB 0.024 19.117 19.000 0.156 0.000 0.991 517 A HN 0.373 nan 8.150 nan 0.000 0.502 518 P HA -0.220 nan 4.420 nan 0.000 0.214 518 P C 1.450 178.805 177.300 0.092 0.000 1.163 518 P CA 1.612 64.781 63.100 0.115 0.000 0.889 518 P CB 0.139 31.905 31.700 0.110 0.000 0.790 519 E N -0.562 119.683 120.200 0.075 0.000 2.049 519 E HA -0.198 4.153 4.350 0.001 0.000 0.198 519 E C 2.196 178.829 176.600 0.054 0.000 1.007 519 E CA 1.795 58.227 56.400 0.053 0.000 0.809 519 E CB -1.011 28.718 29.700 0.048 0.000 0.749 519 E HN 0.182 nan 8.360 nan 0.000 0.450 520 G N 0.123 108.962 108.800 0.065 0.000 2.408 520 G HA2 -0.191 3.769 3.960 0.001 0.000 0.217 520 G HA3 -0.191 3.769 3.960 0.001 0.000 0.217 520 G C 1.654 176.599 174.900 0.074 0.000 1.150 520 G CA 0.837 45.973 45.100 0.061 0.000 0.776 520 G HN 0.238 nan 8.290 nan 0.000 0.542 521 V N 1.203 121.175 119.914 0.096 0.000 2.307 521 V HA -0.110 4.011 4.120 0.001 0.000 0.245 521 V C 2.757 178.924 176.094 0.122 0.000 1.045 521 V CA 1.394 63.764 62.300 0.116 0.000 1.024 521 V CB -0.367 31.538 31.823 0.138 0.000 0.651 521 V HN 0.374 nan 8.190 nan 0.000 0.449 522 I N 0.140 120.777 120.570 0.112 0.000 2.361 522 I HA -0.209 3.961 4.170 0.001 0.000 0.251 522 I C 2.066 178.204 176.117 0.035 0.000 1.133 522 I CA 1.324 62.669 61.300 0.075 0.000 1.413 522 I CB -0.425 37.578 38.000 0.004 0.000 1.073 522 I HN 0.321 nan 8.210 nan 0.000 0.424 523 D N 0.834 121.254 120.400 0.034 0.000 2.312 523 D HA -0.081 4.560 4.640 0.001 0.000 0.211 523 D C 1.845 178.160 176.300 0.025 0.000 0.964 523 D CA 0.876 54.886 54.000 0.018 0.000 0.877 523 D CB -0.038 40.772 40.800 0.017 0.000 0.924 523 D HN 0.337 nan 8.370 nan 0.000 0.515 524 R N -0.556 119.974 120.500 0.049 0.000 2.388 524 R HA 0.192 4.532 4.340 0.001 0.000 0.247 524 R C -0.070 176.272 176.300 0.069 0.000 0.931 524 R CA -0.171 55.963 56.100 0.056 0.000 1.082 524 R CB 0.389 30.731 30.300 0.070 0.000 1.135 524 R HN 0.017 nan 8.270 nan 0.000 0.525 525 C N 1.157 120.499 119.300 0.069 0.000 2.307 525 C HA 0.302 4.762 4.460 0.001 0.000 0.340 525 C C 1.069 176.060 174.990 0.003 0.000 1.275 525 C CA -0.814 58.258 59.018 0.091 0.000 1.811 525 C CB 0.805 28.639 27.740 0.156 0.000 2.372 525 C HN 0.473 nan 8.230 nan 0.000 0.531 526 N N 0.637 119.295 118.700 -0.070 0.000 2.220 526 N HA 0.152 4.893 4.740 0.001 0.000 0.195 526 N C -0.710 174.475 175.510 -0.542 0.000 1.123 526 N CA 0.430 53.278 53.050 -0.336 0.000 0.874 526 N CB 0.452 38.636 38.487 -0.504 0.000 0.995 526 N HN 0.693 nan 8.380 nan 0.000 0.498 527 Y N -0.804 119.540 120.300 0.073 0.000 2.634 527 Y HA 0.607 5.157 4.550 0.001 0.000 0.340 527 Y C -0.143 175.833 175.900 0.127 0.000 1.058 527 Y CA -1.049 57.100 58.100 0.082 0.000 1.081 527 Y CB 1.638 40.142 38.460 0.073 0.000 1.295 527 Y HN -0.419 nan 8.280 nan 0.000 0.487 528 V N 1.386 121.489 119.914 0.316 0.000 2.686 528 V HA 0.511 4.631 4.120 0.001 0.000 0.306 528 V C -0.690 175.546 176.094 0.237 0.000 1.065 528 V CA -1.095 61.384 62.300 0.299 0.000 0.894 528 V CB 1.916 33.881 31.823 0.237 0.000 1.004 528 V HN 0.665 nan 8.190 nan 0.000 0.424 529 R N 2.722 123.348 120.500 0.209 0.000 2.410 529 R HA 0.723 5.063 4.340 0.001 0.000 0.288 529 R C -1.240 175.142 176.300 0.136 0.000 1.051 529 R CA -0.169 56.007 56.100 0.128 0.000 1.021 529 R CB 1.487 31.825 30.300 0.064 0.000 1.032 529 R HN 0.524 nan 8.270 nan 0.000 0.481 530 V N 5.499 125.478 119.914 0.110 0.000 2.443 530 V HA 0.393 4.514 4.120 0.001 0.000 0.272 530 V C 0.846 176.996 176.094 0.092 0.000 1.002 530 V CA 0.250 62.619 62.300 0.115 0.000 0.840 530 V CB 0.567 32.458 31.823 0.113 0.000 1.042 530 V HN 1.125 nan 8.190 nan 0.000 0.446 531 G N 4.951 113.809 108.800 0.096 0.000 4.766 531 G HA2 -0.371 3.589 3.960 0.001 0.000 0.314 531 G HA3 -0.371 3.589 3.960 0.001 0.000 0.314 531 G C 0.970 175.901 174.900 0.052 0.000 1.427 531 G CA 1.517 46.666 45.100 0.081 0.000 1.024 531 G HN 1.371 nan 8.290 nan 0.000 0.754 532 T N -1.971 112.609 114.554 0.043 0.000 3.009 532 T HA 0.458 4.809 4.350 0.001 0.000 0.267 532 T C 1.134 175.850 174.700 0.027 0.000 0.942 532 T CA 1.564 63.682 62.100 0.031 0.000 0.883 532 T CB 0.170 69.053 68.868 0.025 0.000 1.192 532 T HN 1.731 nan 8.240 nan 0.000 0.524 533 T N 0.449 115.025 114.554 0.037 0.000 2.824 533 T HA 0.626 4.976 4.350 0.001 0.000 0.277 533 T C -0.230 174.496 174.700 0.043 0.000 0.975 533 T CA -0.871 61.250 62.100 0.034 0.000 0.966 533 T CB 1.831 70.724 68.868 0.043 0.000 1.054 533 T HN 0.489 nan 8.240 nan 0.000 0.533 534 R N 0.031 120.555 120.500 0.039 0.000 2.651 534 R HA 0.642 4.983 4.340 0.001 0.000 0.278 534 R C -1.576 174.783 176.300 0.098 0.000 1.010 534 R CA -0.793 55.342 56.100 0.058 0.000 0.896 534 R CB 2.150 32.434 30.300 -0.026 0.000 1.211 534 R HN 0.837 nan 8.270 nan 0.000 0.456 535 V N -0.160 119.853 119.914 0.165 0.000 3.159 535 V HA 0.721 4.841 4.120 0.001 0.000 0.308 535 V C -2.793 173.451 176.094 0.250 0.000 1.190 535 V CA -2.354 60.052 62.300 0.178 0.000 1.037 535 V CB 2.136 34.033 31.823 0.124 0.000 1.060 535 V HN 0.721 nan 8.190 nan 0.000 0.437 536 P HA 0.212 nan 4.420 nan 0.000 0.271 536 P C -0.437 176.877 177.300 0.023 0.000 1.216 536 P CA -0.195 62.952 63.100 0.078 0.000 0.771 536 P CB 0.878 32.595 31.700 0.028 0.000 0.864 537 M N 4.512 124.090 119.600 -0.036 0.000 2.356 537 M HA 0.095 4.575 4.480 0.001 0.000 0.348 537 M C -0.098 176.174 176.300 -0.046 0.000 1.595 537 M CA 0.799 56.080 55.300 -0.032 0.000 1.095 537 M CB -0.836 31.730 32.600 -0.056 0.000 1.963 537 M HN 0.429 nan 8.290 nan 0.000 0.459 538 T N 1.734 116.268 114.554 -0.033 0.000 2.950 538 T HA 0.713 5.063 4.350 0.001 0.000 0.288 538 T C 1.102 175.772 174.700 -0.050 0.000 1.035 538 T CA -0.555 61.522 62.100 -0.038 0.000 1.028 538 T CB 1.380 70.233 68.868 -0.026 0.000 1.109 538 T HN 0.656 nan 8.240 nan 0.000 0.514 539 G N 0.877 109.647 108.800 -0.050 0.000 2.446 539 G HA2 -0.069 3.892 3.960 0.001 0.000 0.217 539 G HA3 -0.069 3.892 3.960 0.001 0.000 0.217 539 G C -0.923 173.941 174.900 -0.059 0.000 1.168 539 G CA 0.693 45.760 45.100 -0.055 0.000 0.771 539 G HN 0.640 nan 8.290 nan 0.000 0.551 540 P HA -0.087 nan 4.420 nan 0.000 0.215 540 P C 2.130 179.397 177.300 -0.054 0.000 1.157 540 P CA 1.297 64.364 63.100 -0.055 0.000 0.874 540 P CB -0.147 31.521 31.700 -0.054 0.000 0.790 541 V N -0.021 119.864 119.914 -0.049 0.000 2.358 541 V HA -0.222 3.899 4.120 0.001 0.000 0.246 541 V C 2.475 178.503 176.094 -0.110 0.000 1.047 541 V CA 1.768 64.034 62.300 -0.056 0.000 1.035 541 V CB -1.098 30.706 31.823 -0.031 0.000 0.658 541 V HN 0.121 nan 8.190 nan 0.000 0.452 542 K N 0.059 120.390 120.400 -0.114 0.000 2.002 542 K HA -0.207 4.113 4.320 0.001 0.000 0.209 542 K C 2.251 178.777 176.600 -0.124 0.000 1.048 542 K CA 1.627 57.829 56.287 -0.142 0.000 0.930 542 K CB -0.097 32.339 32.500 -0.108 0.000 0.714 542 K HN 0.359 nan 8.250 nan 0.000 0.438 543 E N 0.984 121.127 120.200 -0.094 0.000 2.077 543 E HA -0.188 4.162 4.350 0.001 0.000 0.193 543 E C 1.902 178.441 176.600 -0.101 0.000 0.989 543 E CA 0.828 57.178 56.400 -0.084 0.000 0.800 543 E CB -0.132 29.528 29.700 -0.068 0.000 0.746 543 E HN 0.181 nan 8.360 nan 0.000 0.452 544 K N 1.038 121.374 120.400 -0.107 0.000 2.032 544 K HA -0.099 4.221 4.320 0.001 0.000 0.209 544 K C 2.250 178.739 176.600 -0.185 0.000 1.048 544 K CA 0.920 57.127 56.287 -0.133 0.000 0.927 544 K CB -0.549 31.885 32.500 -0.109 0.000 0.712 544 K HN 0.168 nan 8.250 nan 0.000 0.441 545 I N 0.908 121.380 120.570 -0.163 0.000 2.179 545 I HA -0.305 3.865 4.170 0.001 0.000 0.242 545 I C 2.289 178.350 176.117 -0.094 0.000 1.088 545 I CA 1.051 62.280 61.300 -0.119 0.000 1.357 545 I CB -0.244 37.608 38.000 -0.246 0.000 1.051 545 I HN 0.070 nan 8.210 nan 0.000 0.409 546 L N 0.399 121.560 121.223 -0.105 0.000 2.201 546 L HA -0.166 4.174 4.340 0.001 0.000 0.212 546 L C 2.772 179.592 176.870 -0.084 0.000 1.105 546 L CA 1.388 56.186 54.840 -0.071 0.000 0.775 546 L CB -0.645 41.378 42.059 -0.061 0.000 0.913 546 L HN 0.389 nan 8.230 nan 0.000 0.440 547 S N -0.807 114.823 115.700 -0.117 0.000 2.357 547 S HA -0.113 4.357 4.470 0.001 0.000 0.221 547 S C 1.933 176.433 174.600 -0.167 0.000 1.031 547 S CA 0.934 59.065 58.200 -0.116 0.000 0.982 547 S CB -0.725 62.408 63.200 -0.111 0.000 0.853 547 S HN 0.135 nan 8.310 nan 0.000 0.458 548 V N 2.435 122.171 119.914 -0.297 0.000 2.343 548 V HA -0.143 3.978 4.120 0.001 0.000 0.247 548 V C 2.499 178.313 176.094 -0.467 0.000 1.051 548 V CA 1.930 63.928 62.300 -0.504 0.000 1.036 548 V CB -0.837 30.429 31.823 -0.928 0.000 0.654 548 V HN 0.487 nan 8.190 nan 0.000 0.451 549 I N -0.100 120.314 120.570 -0.261 0.000 2.163 549 I HA -0.319 3.851 4.170 0.001 0.000 0.243 549 I C 2.593 178.723 176.117 0.023 0.000 1.085 549 I CA 2.085 63.344 61.300 -0.068 0.000 1.347 549 I CB -0.448 37.568 38.000 0.027 0.000 1.044 549 I HN 0.291 nan 8.210 nan 0.000 0.408 550 K N 1.076 121.473 120.400 -0.006 0.000 2.063 550 K HA -0.277 4.044 4.320 0.001 0.000 0.208 550 K C 2.139 178.777 176.600 0.064 0.000 1.048 550 K CA 1.917 58.221 56.287 0.028 0.000 0.928 550 K CB -0.141 32.359 32.500 0.001 0.000 0.713 550 K HN 0.331 nan 8.250 nan 0.000 0.442 551 E N -0.496 119.733 120.200 0.050 0.000 2.051 551 E HA -0.208 4.142 4.350 0.001 0.000 0.192 551 E C 1.649 178.417 176.600 0.280 0.000 0.991 551 E CA 1.349 57.823 56.400 0.124 0.000 0.799 551 E CB -0.129 29.630 29.700 0.098 0.000 0.748 551 E HN 0.411 nan 8.360 nan 0.000 0.449 552 W N 0.208 121.532 121.300 0.041 0.000 2.381 552 W HA 0.083 4.743 4.660 0.001 0.000 0.301 552 W C 2.391 178.938 176.519 0.046 0.000 1.205 552 W CA 1.301 58.678 57.345 0.053 0.000 1.285 552 W CB -1.058 28.457 29.460 0.091 0.000 1.133 552 W HN 0.235 nan 8.180 nan 0.000 0.521 553 G N -2.102 106.869 108.800 0.285 0.000 2.683 553 G HA2 -0.036 3.925 3.960 0.001 0.000 0.213 553 G HA3 -0.036 3.925 3.960 0.001 0.000 0.213 553 G C 1.227 176.197 174.900 0.117 0.000 1.142 553 G CA 1.194 46.400 45.100 0.176 0.000 0.793 553 G HN 0.192 nan 8.290 nan 0.000 0.534 554 T N -0.192 114.428 114.554 0.109 0.000 3.003 554 T HA 0.334 4.684 4.350 0.001 0.000 0.261 554 T C 1.394 176.134 174.700 0.066 0.000 1.003 554 T CA 0.280 62.424 62.100 0.073 0.000 0.917 554 T CB 0.830 69.731 68.868 0.055 0.000 1.084 554 T HN 0.307 nan 8.240 nan 0.000 0.522 555 G N 0.693 109.544 108.800 0.086 0.000 2.510 555 G HA2 0.294 4.255 3.960 0.001 0.000 0.280 555 G HA3 0.294 4.255 3.960 0.001 0.000 0.280 555 G C 0.623 175.554 174.900 0.051 0.000 1.386 555 G CA -0.629 44.512 45.100 0.069 0.000 1.047 555 G HN 0.196 nan 8.290 nan 0.000 0.527 556 R N -0.438 120.083 120.500 0.035 0.000 2.237 556 R HA -0.019 4.321 4.340 0.001 0.000 0.219 556 R C 1.407 177.707 176.300 0.000 0.000 1.080 556 R CA 1.010 57.119 56.100 0.015 0.000 0.995 556 R CB 0.075 30.378 30.300 0.006 0.000 0.875 556 R HN 0.439 nan 8.270 nan 0.000 0.462 557 D N 0.384 120.784 120.400 -0.000 0.000 2.224 557 D HA -0.090 4.550 4.640 0.001 0.000 0.205 557 D C 0.584 176.874 176.300 -0.017 0.000 0.965 557 D CA 1.505 55.481 54.000 -0.040 0.000 0.852 557 D CB -0.196 40.543 40.800 -0.101 0.000 0.947 557 D HN 0.271 nan 8.370 nan 0.000 0.494 558 T N -0.778 113.790 114.554 0.023 0.000 3.549 558 T HA -0.250 4.100 4.350 0.001 0.000 0.398 558 T C 0.148 174.868 174.700 0.033 0.000 0.766 558 T CA 0.189 62.309 62.100 0.034 0.000 2.007 558 T CB -2.545 66.331 68.868 0.014 0.000 1.727 558 T HN 0.174 nan 8.240 nan 0.000 0.693 559 L N 0.219 121.479 121.223 0.062 0.000 2.334 559 L HA 0.535 4.875 4.340 0.001 0.000 0.277 559 L C 1.116 178.049 176.870 0.106 0.000 1.075 559 L CA -1.156 53.721 54.840 0.063 0.000 0.804 559 L CB 1.254 43.343 42.059 0.048 0.000 1.174 559 L HN 0.356 nan 8.230 nan 0.000 0.438 560 R N 1.993 122.541 120.500 0.081 0.000 2.220 560 R HA 0.330 4.671 4.340 0.001 0.000 0.340 560 R C -1.207 175.164 176.300 0.117 0.000 1.076 560 R CA -0.440 55.712 56.100 0.086 0.000 0.920 560 R CB 0.317 30.649 30.300 0.054 0.000 1.062 560 R HN 0.640 nan 8.270 nan 0.000 0.469 561 C N 5.029 124.418 119.300 0.150 0.000 2.365 561 C HA 0.531 4.991 4.460 0.001 0.000 0.351 561 C C -0.698 174.367 174.990 0.126 0.000 1.240 561 C CA -0.812 58.312 59.018 0.177 0.000 2.062 561 C CB 0.768 28.647 27.740 0.232 0.000 2.387 561 C HN 0.619 nan 8.230 nan 0.000 0.537 562 L N 2.656 123.943 121.223 0.107 0.000 2.385 562 L HA 0.682 5.022 4.340 0.001 0.000 0.273 562 L C 0.223 177.124 176.870 0.053 0.000 0.990 562 L CA -0.309 54.577 54.840 0.076 0.000 0.821 562 L CB 1.377 43.464 42.059 0.046 0.000 1.279 562 L HN 0.852 nan 8.230 nan 0.000 0.412 563 A N 5.139 128.003 122.820 0.073 0.000 2.309 563 A HA 0.801 5.121 4.320 0.001 0.000 0.298 563 A C -0.851 176.731 177.584 -0.003 0.000 1.165 563 A CA -0.392 51.686 52.037 0.068 0.000 0.821 563 A CB 0.368 19.481 19.000 0.188 0.000 1.102 563 A HN 0.648 nan 8.150 nan 0.000 0.500 564 L N 1.615 122.754 121.223 -0.139 0.000 2.329 564 L HA 0.811 5.151 4.340 0.001 0.000 0.279 564 L C 0.322 177.079 176.870 -0.189 0.000 1.014 564 L CA -0.330 54.423 54.840 -0.145 0.000 0.814 564 L CB 1.831 43.771 42.059 -0.198 0.000 1.257 564 L HN 0.876 nan 8.230 nan 0.000 0.424 565 A N 1.376 124.163 122.820 -0.054 0.000 2.588 565 A HA 0.859 5.180 4.320 0.001 0.000 0.290 565 A C -0.883 176.751 177.584 0.084 0.000 1.136 565 A CA -0.450 51.584 52.037 -0.004 0.000 0.681 565 A CB 2.262 21.308 19.000 0.076 0.000 1.282 565 A HN 0.574 nan 8.150 nan 0.000 0.421 566 T N -0.432 114.183 114.554 0.102 0.000 2.993 566 T HA 0.571 4.922 4.350 0.001 0.000 0.312 566 T C -1.024 173.705 174.700 0.048 0.000 1.115 566 T CA -0.585 61.589 62.100 0.122 0.000 1.027 566 T CB 1.343 70.353 68.868 0.235 0.000 1.116 566 T HN 0.753 nan 8.240 nan 0.000 0.464 567 R N 3.050 123.536 120.500 -0.023 0.000 2.210 567 R HA 0.199 4.539 4.340 0.001 0.000 0.338 567 R C 0.221 176.469 176.300 -0.087 0.000 1.062 567 R CA -0.399 55.692 56.100 -0.015 0.000 0.902 567 R CB 0.543 30.837 30.300 -0.010 0.000 1.050 567 R HN 0.747 nan 8.270 nan 0.000 0.461 568 D N 1.619 121.984 120.400 -0.060 0.000 2.117 568 D HA -0.084 4.556 4.640 0.001 0.000 0.197 568 D C -0.027 176.206 176.300 -0.111 0.000 0.987 568 D CA 1.665 55.605 54.000 -0.100 0.000 0.829 568 D CB 0.396 41.121 40.800 -0.126 0.000 0.961 568 D HN 0.420 nan 8.370 nan 0.000 0.460 569 T N 3.491 118.002 114.554 -0.072 0.000 3.253 569 T HA 0.266 4.617 4.350 0.001 0.000 0.391 569 T C -2.367 172.321 174.700 -0.021 0.000 1.527 569 T CA -1.272 60.798 62.100 -0.050 0.000 1.268 569 T CB 2.179 71.034 68.868 -0.022 0.000 1.126 569 T HN 0.029 nan 8.240 nan 0.000 0.620 570 P HA 0.321 nan 4.420 nan 0.000 0.274 570 P C -2.565 174.786 177.300 0.085 0.000 1.246 570 P CA -1.486 61.619 63.100 0.008 0.000 0.795 570 P CB -0.002 31.641 31.700 -0.095 0.000 1.006 571 P HA 0.104 nan 4.420 nan 0.000 0.270 571 P C -0.181 177.180 177.300 0.101 0.000 1.223 571 P CA -0.039 63.112 63.100 0.085 0.000 0.785 571 P CB 0.583 32.317 31.700 0.057 0.000 0.923 572 K N 1.101 121.534 120.400 0.055 0.000 2.469 572 K HA -0.050 4.270 4.320 0.001 0.000 0.274 572 K C 1.518 178.099 176.600 -0.031 0.000 0.983 572 K CA -0.107 56.205 56.287 0.041 0.000 0.974 572 K CB 0.261 32.770 32.500 0.016 0.000 0.913 572 K HN 0.301 nan 8.250 nan 0.000 0.493 573 R N 2.673 123.130 120.500 -0.070 0.000 2.091 573 R HA -0.190 4.151 4.340 0.001 0.000 0.238 573 R C 1.061 177.242 176.300 -0.198 0.000 1.136 573 R CA 2.025 57.990 56.100 -0.224 0.000 0.959 573 R CB -0.213 29.959 30.300 -0.214 0.000 0.856 573 R HN 0.681 nan 8.270 nan 0.000 0.437 574 E N 0.602 120.732 120.200 -0.117 0.000 2.265 574 E HA -0.117 4.233 4.350 0.001 0.000 0.196 574 E C 1.004 177.548 176.600 -0.093 0.000 0.996 574 E CA 1.084 57.425 56.400 -0.099 0.000 0.832 574 E CB -0.090 29.576 29.700 -0.056 0.000 0.756 574 E HN 0.366 nan 8.360 nan 0.000 0.491 575 E N -0.069 120.078 120.200 -0.089 0.000 2.445 575 E HA 0.150 4.500 4.350 0.001 0.000 0.189 575 E C 0.003 176.542 176.600 -0.102 0.000 1.069 575 E CA 0.202 56.567 56.400 -0.060 0.000 0.871 575 E CB -0.095 29.594 29.700 -0.019 0.000 0.991 575 E HN 0.372 nan 8.360 nan 0.000 0.481 576 M N 0.376 119.845 119.600 -0.219 0.000 2.465 576 M HA 0.325 4.805 4.480 0.001 0.000 0.316 576 M C -0.639 175.555 176.300 -0.177 0.000 1.121 576 M CA -0.842 54.229 55.300 -0.382 0.000 0.934 576 M CB 2.915 35.054 32.600 -0.770 0.000 1.692 576 M HN -0.350 nan 8.290 nan 0.000 0.444 577 V N 4.536 124.509 119.914 0.098 0.000 2.328 577 V HA 0.230 4.351 4.120 0.001 0.000 0.278 577 V C 0.847 177.064 176.094 0.205 0.000 1.021 577 V CA -0.379 61.982 62.300 0.101 0.000 0.838 577 V CB 1.107 33.006 31.823 0.127 0.000 0.999 577 V HN 0.858 nan 8.190 nan 0.000 0.447 578 L N 1.753 123.001 121.223 0.041 0.000 2.478 578 L HA 0.028 4.368 4.340 0.001 0.000 0.223 578 L C 1.490 178.531 176.870 0.285 0.000 1.140 578 L CA 0.739 55.653 54.840 0.124 0.000 0.842 578 L CB -0.180 41.784 42.059 -0.158 0.000 0.953 578 L HN 0.624 nan 8.230 nan 0.000 0.452 579 D N -0.271 120.211 120.400 0.136 0.000 2.305 579 D HA -0.028 4.612 4.640 0.001 0.000 0.206 579 D C 0.150 176.295 176.300 -0.257 0.000 0.974 579 D CA 0.697 54.730 54.000 0.056 0.000 0.871 579 D CB 0.249 41.088 40.800 0.065 0.000 0.947 579 D HN 0.341 nan 8.370 nan 0.000 0.516 580 D N 1.058 121.330 120.400 -0.214 0.000 2.479 580 D HA 0.031 4.671 4.640 0.001 0.000 0.218 580 D C 1.310 177.117 176.300 -0.821 0.000 1.131 580 D CA -0.010 53.752 54.000 -0.396 0.000 0.916 580 D CB 1.290 41.974 40.800 -0.194 0.000 1.022 580 D HN -0.054 nan 8.370 nan 0.000 0.515 581 S N 0.649 115.574 115.700 -1.292 0.000 2.465 581 S HA -0.225 4.245 4.470 0.001 0.000 0.241 581 S C 1.849 175.844 174.600 -1.007 0.000 1.000 581 S CA 1.003 58.065 58.200 -1.897 0.000 0.964 581 S CB -0.205 62.369 63.200 -1.044 0.000 0.763 581 S HN 0.370 nan 8.310 nan 0.000 0.512 582 S N 1.500 116.844 115.700 -0.594 0.000 2.515 582 S HA 0.080 4.550 4.470 0.001 0.000 0.231 582 S C 1.700 176.112 174.600 -0.313 0.000 0.987 582 S CA 0.086 58.081 58.200 -0.343 0.000 0.936 582 S CB -0.347 62.711 63.200 -0.236 0.000 0.766 582 S HN 0.631 nan 8.310 nan 0.000 0.528 583 R N -0.947 119.311 120.500 -0.403 0.000 2.308 583 R HA 0.305 4.645 4.340 0.001 0.000 0.202 583 R C 1.014 176.989 176.300 -0.542 0.000 0.898 583 R CA -0.028 55.790 56.100 -0.469 0.000 1.046 583 R CB -0.145 29.837 30.300 -0.531 0.000 1.026 583 R HN 0.340 nan 8.270 nan 0.000 0.512 584 F N 1.383 121.104 119.950 -0.382 0.000 2.154 584 F HA -0.202 4.325 4.527 0.001 0.000 0.301 584 F C 2.274 178.019 175.800 -0.093 0.000 1.087 584 F CA 1.021 58.936 58.000 -0.142 0.000 1.274 584 F CB -0.662 38.344 39.000 0.010 0.000 1.009 584 F HN 0.024 nan 8.300 nan 0.000 0.485 585 M N 0.522 120.161 119.600 0.065 0.000 2.132 585 M HA -0.218 4.263 4.480 0.001 0.000 0.263 585 M C 2.274 178.589 176.300 0.025 0.000 1.065 585 M CA 2.013 57.340 55.300 0.045 0.000 1.122 585 M CB -0.322 32.279 32.600 0.002 0.000 1.365 585 M HN 0.290 nan 8.290 nan 0.000 0.411 586 E N -0.591 119.566 120.200 -0.071 0.000 2.110 586 E HA -0.244 4.106 4.350 0.001 0.000 0.193 586 E C 1.395 178.060 176.600 0.108 0.000 0.988 586 E CA 1.528 57.906 56.400 -0.036 0.000 0.804 586 E CB -0.668 28.957 29.700 -0.124 0.000 0.745 586 E HN 0.570 nan 8.360 nan 0.000 0.458 587 Y N 1.351 121.727 120.300 0.127 0.000 2.439 587 Y HA 0.074 4.625 4.550 0.001 0.000 0.292 587 Y C 0.801 176.764 175.900 0.105 0.000 1.130 587 Y CA 0.582 58.758 58.100 0.126 0.000 1.254 587 Y CB -0.100 38.452 38.460 0.153 0.000 1.000 587 Y HN 0.132 nan 8.280 nan 0.000 0.554 588 E N 0.779 121.120 120.200 0.235 0.000 2.364 588 E HA 0.156 4.507 4.350 0.001 0.000 0.270 588 E C 0.034 176.710 176.600 0.127 0.000 1.398 588 E CA -0.155 56.342 56.400 0.162 0.000 1.721 588 E CB -0.051 29.736 29.700 0.145 0.000 1.525 588 E HN 0.244 nan 8.360 nan 0.000 0.446 589 T N -3.131 111.501 114.554 0.130 0.000 2.910 589 T HA 0.305 4.655 4.350 0.001 0.000 0.287 589 T C 0.163 174.931 174.700 0.114 0.000 1.050 589 T CA -0.877 61.286 62.100 0.106 0.000 1.011 589 T CB 1.456 70.378 68.868 0.090 0.000 1.195 589 T HN 0.042 nan 8.240 nan 0.000 0.540 590 D N -0.269 120.194 120.400 0.104 0.000 2.699 590 D HA -0.130 4.510 4.640 0.001 0.000 0.239 590 D C -0.452 175.966 176.300 0.198 0.000 1.136 590 D CA 0.487 54.569 54.000 0.136 0.000 0.668 590 D CB -1.607 39.283 40.800 0.150 0.000 1.060 590 D HN 0.628 nan 8.370 nan 0.000 0.429 591 L N -0.817 120.508 121.223 0.170 0.000 2.454 591 L HA 0.531 4.871 4.340 0.001 0.000 0.256 591 L C 1.074 178.100 176.870 0.260 0.000 1.136 591 L CA -0.565 54.386 54.840 0.184 0.000 0.804 591 L CB 1.149 43.295 42.059 0.145 0.000 1.181 591 L HN -0.073 nan 8.230 nan 0.000 0.469 592 T N 1.124 115.810 114.554 0.220 0.000 2.788 592 T HA 0.281 4.631 4.350 0.001 0.000 0.296 592 T C -0.482 174.338 174.700 0.201 0.000 1.009 592 T CA -0.297 61.948 62.100 0.243 0.000 0.949 592 T CB 0.308 69.264 68.868 0.147 0.000 0.946 592 T HN 0.255 nan 8.240 nan 0.000 0.453 593 F N 4.742 124.753 119.950 0.101 0.000 2.578 593 F HA 0.207 4.734 4.527 0.001 0.000 0.381 593 F C 0.790 176.616 175.800 0.044 0.000 1.069 593 F CA 0.202 58.238 58.000 0.060 0.000 1.231 593 F CB 0.463 39.496 39.000 0.056 0.000 1.086 593 F HN 0.343 nan 8.300 nan 0.000 0.564 594 V N 4.910 124.381 119.914 -0.737 0.000 2.721 594 V HA 0.476 4.596 4.120 0.001 0.000 0.236 594 V C 1.118 176.676 176.094 -0.894 0.000 1.116 594 V CA 0.839 62.797 62.300 -0.569 0.000 1.148 594 V CB -0.159 31.468 31.823 -0.327 0.000 0.886 594 V HN 1.014 nan 8.190 nan 0.000 0.490 595 G N -0.907 107.185 108.800 -1.180 0.000 2.554 595 G HA2 0.546 4.507 3.960 0.001 0.000 0.306 595 G HA3 0.546 4.507 3.960 0.001 0.000 0.306 595 G C -2.202 172.247 174.900 -0.750 0.000 1.320 595 G CA -0.185 44.347 45.100 -0.947 0.000 0.800 595 G HN 0.001 nan 8.290 nan 0.000 0.481 596 V N -0.002 119.493 119.914 -0.699 0.000 2.760 596 V HA 0.720 4.840 4.120 0.001 0.000 0.309 596 V C -0.255 175.750 176.094 -0.148 0.000 1.077 596 V CA -0.666 61.380 62.300 -0.423 0.000 0.910 596 V CB 1.720 33.181 31.823 -0.603 0.000 1.008 596 V HN 1.325 nan 8.190 nan 0.000 0.424 597 V N 0.890 120.817 119.914 0.022 0.000 2.604 597 V HA 1.038 5.158 4.120 0.001 0.000 0.305 597 V C 0.137 176.354 176.094 0.205 0.000 1.043 597 V CA -0.444 61.922 62.300 0.109 0.000 0.888 597 V CB 1.617 33.446 31.823 0.009 0.000 0.995 597 V HN 1.014 nan 8.190 nan 0.000 0.429 598 G N 5.494 114.431 108.800 0.228 0.000 2.544 598 G HA2 0.692 4.652 3.960 0.001 0.000 0.313 598 G HA3 0.692 4.652 3.960 0.001 0.000 0.313 598 G C -0.672 174.240 174.900 0.020 0.000 1.316 598 G CA -0.874 44.334 45.100 0.181 0.000 0.944 598 G HN 1.180 nan 8.290 nan 0.000 0.489 599 M N 1.647 121.265 119.600 0.029 0.000 2.664 599 M HA 0.857 5.338 4.480 0.001 0.000 0.314 599 M C -1.682 174.609 176.300 -0.015 0.000 1.200 599 M CA -1.179 54.116 55.300 -0.007 0.000 0.916 599 M CB 2.500 35.106 32.600 0.011 0.000 1.717 599 M HN 0.340 nan 8.290 nan 0.000 0.470 600 L N 1.673 122.873 121.223 -0.037 0.000 2.346 600 L HA 0.590 4.931 4.340 0.001 0.000 0.276 600 L C -1.535 175.313 176.870 -0.038 0.000 1.006 600 L CA 0.157 54.974 54.840 -0.039 0.000 0.817 600 L CB 1.851 43.873 42.059 -0.062 0.000 1.272 600 L HN 0.843 nan 8.230 nan 0.000 0.421 601 D N 6.312 126.696 120.400 -0.026 0.000 2.462 601 D HA 0.378 5.018 4.640 0.001 0.000 0.249 601 D C -2.598 173.683 176.300 -0.032 0.000 1.117 601 D CA -1.936 52.049 54.000 -0.025 0.000 0.900 601 D CB 1.147 41.944 40.800 -0.007 0.000 1.039 601 D HN 0.300 nan 8.370 nan 0.000 0.516 602 P HA 0.234 nan 4.420 nan 0.000 0.271 602 P C -2.639 174.640 177.300 -0.035 0.000 1.216 602 P CA -1.241 61.834 63.100 -0.043 0.000 0.776 602 P CB 0.539 32.208 31.700 -0.051 0.000 0.881 603 P HA 0.199 nan 4.420 nan 0.000 0.269 603 P C 0.161 177.448 177.300 -0.022 0.000 1.215 603 P CA -0.009 63.069 63.100 -0.036 0.000 0.780 603 P CB 0.371 32.044 31.700 -0.045 0.000 0.898 604 R N 2.112 122.607 120.500 -0.009 0.000 2.698 604 R HA -0.034 4.306 4.340 0.001 0.000 0.266 604 R C 1.821 178.125 176.300 0.007 0.000 1.026 604 R CA 0.431 56.536 56.100 0.008 0.000 1.102 604 R CB 0.021 30.343 30.300 0.037 0.000 0.978 604 R HN 0.497 nan 8.270 nan 0.000 0.436 605 K N 1.432 121.836 120.400 0.007 0.000 2.209 605 K HA -0.176 4.144 4.320 0.001 0.000 0.204 605 K C 0.231 176.840 176.600 0.016 0.000 1.048 605 K CA 1.739 58.029 56.287 0.005 0.000 0.940 605 K CB 0.110 32.611 32.500 0.002 0.000 0.729 605 K HN 0.477 nan 8.250 nan 0.000 0.451 606 E N 1.126 121.344 120.200 0.030 0.000 2.400 606 E HA 0.022 4.372 4.350 0.001 0.000 0.195 606 E C 1.876 178.519 176.600 0.073 0.000 1.012 606 E CA 0.161 56.588 56.400 0.044 0.000 0.875 606 E CB 0.008 29.735 29.700 0.046 0.000 0.859 606 E HN 0.005 nan 8.360 nan 0.000 0.498 607 V N 1.387 121.347 119.914 0.077 0.000 2.324 607 V HA -0.331 3.789 4.120 0.001 0.000 0.250 607 V C 2.109 178.234 176.094 0.052 0.000 1.060 607 V CA 1.710 64.067 62.300 0.096 0.000 1.042 607 V CB -0.459 31.368 31.823 0.006 0.000 0.650 607 V HN 0.372 nan 8.190 nan 0.000 0.450 608 M N 0.090 119.700 119.600 0.016 0.000 2.073 608 M HA -0.149 4.331 4.480 0.001 0.000 0.258 608 M C 2.372 178.688 176.300 0.028 0.000 1.070 608 M CA 2.421 57.723 55.300 0.004 0.000 1.103 608 M CB -1.846 30.753 32.600 -0.003 0.000 1.321 608 M HN 0.453 nan 8.290 nan 0.000 0.405 609 G N -0.014 108.809 108.800 0.038 0.000 2.421 609 G HA2 -0.171 3.789 3.960 0.001 0.000 0.216 609 G HA3 -0.171 3.789 3.960 0.001 0.000 0.216 609 G C 1.701 176.640 174.900 0.065 0.000 1.171 609 G CA 1.179 46.304 45.100 0.041 0.000 0.775 609 G HN 0.490 nan 8.290 nan 0.000 0.543 610 S N 0.608 116.370 115.700 0.104 0.000 2.383 610 S HA -0.083 4.388 4.470 0.001 0.000 0.229 610 S C 2.263 176.986 174.600 0.206 0.000 1.030 610 S CA 0.817 59.105 58.200 0.148 0.000 1.002 610 S CB -0.154 63.175 63.200 0.215 0.000 0.829 610 S HN 0.258 nan 8.310 nan 0.000 0.467 611 I N 1.577 122.266 120.570 0.198 0.000 2.286 611 I HA -0.125 4.045 4.170 0.001 0.000 0.248 611 I C 2.604 178.768 176.117 0.077 0.000 1.115 611 I CA 1.263 62.643 61.300 0.133 0.000 1.392 611 I CB -1.135 36.864 38.000 -0.002 0.000 1.065 611 I HN 0.319 nan 8.210 nan 0.000 0.418 612 Q N 0.521 120.353 119.800 0.054 0.000 2.119 612 Q HA -0.097 4.243 4.340 0.001 0.000 0.201 612 Q C 2.448 178.471 176.000 0.038 0.000 0.972 612 Q CA 1.080 56.904 55.803 0.036 0.000 0.847 612 Q CB -0.218 28.535 28.738 0.025 0.000 0.903 612 Q HN 0.505 nan 8.270 nan 0.000 0.433 613 L N -0.416 120.835 121.223 0.046 0.000 2.042 613 L HA -0.270 4.070 4.340 0.001 0.000 0.210 613 L C 2.571 179.462 176.870 0.035 0.000 1.076 613 L CA 1.041 55.902 54.840 0.034 0.000 0.749 613 L CB -0.430 41.645 42.059 0.027 0.000 0.893 613 L HN 0.289 nan 8.230 nan 0.000 0.432 614 C N -0.402 118.932 119.300 0.057 0.000 2.429 614 C HA -0.152 4.309 4.460 0.001 0.000 0.277 614 C C 2.844 177.858 174.990 0.041 0.000 1.262 614 C CA 0.629 59.681 59.018 0.057 0.000 1.733 614 C CB -1.026 26.778 27.740 0.107 0.000 2.010 614 C HN 0.462 nan 8.230 nan 0.000 0.483 615 R N 0.925 121.447 120.500 0.037 0.000 2.081 615 R HA -0.113 4.228 4.340 0.001 0.000 0.235 615 R C 1.678 177.990 176.300 0.020 0.000 1.131 615 R CA 1.604 57.720 56.100 0.026 0.000 0.960 615 R CB -0.466 29.848 30.300 0.022 0.000 0.856 615 R HN 0.554 nan 8.270 nan 0.000 0.436 616 D N 0.953 121.365 120.400 0.020 0.000 2.117 616 D HA -0.094 4.546 4.640 0.001 0.000 0.198 616 D C 1.629 177.937 176.300 0.013 0.000 0.982 616 D CA 1.454 55.463 54.000 0.015 0.000 0.828 616 D CB -0.179 40.629 40.800 0.014 0.000 0.967 616 D HN 0.254 nan 8.370 nan 0.000 0.464 617 A N -0.049 122.780 122.820 0.015 0.000 2.235 617 A HA 0.347 4.667 4.320 0.001 0.000 0.208 617 A C 1.697 179.288 177.584 0.012 0.000 1.172 617 A CA 1.066 53.110 52.037 0.012 0.000 0.786 617 A CB -0.443 18.563 19.000 0.009 0.000 0.804 617 A HN 0.262 nan 8.150 nan 0.000 0.479 618 G N -0.723 108.086 108.800 0.015 0.000 2.176 618 G HA2 -0.234 3.726 3.960 0.001 0.000 0.252 618 G HA3 -0.234 3.726 3.960 0.001 0.000 0.252 618 G C -0.029 174.881 174.900 0.017 0.000 1.024 618 G CA 0.417 45.525 45.100 0.014 0.000 0.755 618 G HN 0.536 nan 8.290 nan 0.000 0.507 619 I N 0.478 121.062 120.570 0.023 0.000 2.312 619 I HA 0.347 4.517 4.170 0.001 0.000 0.290 619 I C 1.021 177.163 176.117 0.041 0.000 1.008 619 I CA -0.863 60.455 61.300 0.030 0.000 1.226 619 I CB 1.206 39.224 38.000 0.030 0.000 1.371 619 I HN 0.051 nan 8.210 nan 0.000 0.468 620 R N 4.894 125.417 120.500 0.038 0.000 2.543 620 R HA 0.487 4.828 4.340 0.001 0.000 0.277 620 R C -1.101 175.232 176.300 0.056 0.000 1.074 620 R CA -0.260 55.863 56.100 0.038 0.000 1.076 620 R CB 1.142 31.462 30.300 0.034 0.000 0.993 620 R HN 0.406 nan 8.270 nan 0.000 0.459 621 V N 6.261 126.197 119.914 0.036 0.000 2.540 621 V HA 0.429 4.549 4.120 0.001 0.000 0.302 621 V C -0.031 176.049 176.094 -0.023 0.000 1.035 621 V CA -0.641 61.684 62.300 0.042 0.000 0.873 621 V CB 1.847 33.684 31.823 0.025 0.000 0.992 621 V HN 0.634 nan 8.190 nan 0.000 0.428 622 I N 5.131 125.711 120.570 0.016 0.000 2.436 622 I HA 0.481 4.652 4.170 0.001 0.000 0.289 622 I C -0.190 175.926 176.117 -0.002 0.000 1.010 622 I CA -0.391 60.915 61.300 0.010 0.000 1.098 622 I CB 1.837 39.914 38.000 0.129 0.000 1.266 622 I HN 0.584 nan 8.210 nan 0.000 0.434 623 M N 7.406 126.965 119.600 -0.069 0.000 2.188 623 M HA 0.544 5.024 4.480 0.001 0.000 0.357 623 M C -1.377 174.947 176.300 0.040 0.000 1.204 623 M CA -0.184 55.078 55.300 -0.062 0.000 1.095 623 M CB 1.072 33.584 32.600 -0.146 0.000 1.604 623 M HN 0.487 nan 8.290 nan 0.000 0.464 624 I N 4.038 124.642 120.570 0.057 0.000 2.389 624 I HA 0.398 4.569 4.170 0.001 0.000 0.288 624 I C -0.310 175.842 176.117 0.058 0.000 0.999 624 I CA -0.395 60.965 61.300 0.098 0.000 1.129 624 I CB 2.013 40.060 38.000 0.079 0.000 1.288 624 I HN 0.686 nan 8.210 nan 0.000 0.444 625 T N 2.764 117.360 114.554 0.070 0.000 2.864 625 T HA 0.483 4.833 4.350 0.001 0.000 0.299 625 T C 0.707 175.446 174.700 0.065 0.000 1.166 625 T CA -0.289 61.841 62.100 0.050 0.000 1.007 625 T CB 1.791 70.677 68.868 0.031 0.000 1.219 625 T HN 0.696 nan 8.240 nan 0.000 0.506 626 G N 1.205 110.038 108.800 0.056 0.000 3.042 626 G HA2 0.168 4.128 3.960 0.001 0.000 0.212 626 G HA3 0.168 4.128 3.960 0.001 0.000 0.212 626 G C 0.217 175.159 174.900 0.071 0.000 1.166 626 G CA -0.142 44.997 45.100 0.066 0.000 0.767 626 G HN 0.704 nan 8.290 nan 0.000 0.546 627 D N 1.508 121.945 120.400 0.062 0.000 2.368 627 D HA 0.011 4.651 4.640 0.001 0.000 0.240 627 D C 0.725 177.070 176.300 0.074 0.000 1.169 627 D CA -0.071 53.967 54.000 0.063 0.000 0.906 627 D CB 0.747 41.577 40.800 0.050 0.000 1.187 627 D HN 0.354 nan 8.370 nan 0.000 0.435 628 N N 0.476 119.221 118.700 0.075 0.000 2.326 628 N HA -0.077 4.663 4.740 0.001 0.000 0.239 628 N C 0.705 176.256 175.510 0.068 0.000 1.301 628 N CA -0.397 52.699 53.050 0.076 0.000 0.909 628 N CB 1.418 39.950 38.487 0.074 0.000 1.156 628 N HN 0.358 nan 8.380 nan 0.000 0.462 629 K N 0.308 120.747 120.400 0.064 0.000 2.032 629 K HA -0.133 4.187 4.320 0.001 0.000 0.209 629 K C 2.006 178.631 176.600 0.043 0.000 1.048 629 K CA 1.742 58.060 56.287 0.051 0.000 0.927 629 K CB -0.853 31.670 32.500 0.038 0.000 0.712 629 K HN 0.737 nan 8.250 nan 0.000 0.441 630 G N -0.105 108.719 108.800 0.040 0.000 2.476 630 G HA2 -0.267 3.693 3.960 0.001 0.000 0.218 630 G HA3 -0.267 3.693 3.960 0.001 0.000 0.218 630 G C 1.464 176.393 174.900 0.048 0.000 1.164 630 G CA 1.559 46.681 45.100 0.037 0.000 0.768 630 G HN 0.350 nan 8.290 nan 0.000 0.560 631 T N 1.288 115.875 114.554 0.055 0.000 2.857 631 T HA 0.139 4.489 4.350 0.001 0.000 0.266 631 T C 2.801 177.528 174.700 0.046 0.000 1.048 631 T CA 1.310 63.444 62.100 0.056 0.000 1.139 631 T CB -0.287 68.618 68.868 0.061 0.000 0.874 631 T HN 0.383 nan 8.240 nan 0.000 0.455 632 A N 1.309 124.157 122.820 0.047 0.000 1.877 632 A HA -0.030 4.290 4.320 0.001 0.000 0.216 632 A C 2.251 179.865 177.584 0.049 0.000 1.186 632 A CA 1.224 53.283 52.037 0.037 0.000 0.620 632 A CB -0.759 18.268 19.000 0.045 0.000 0.822 632 A HN 0.509 nan 8.150 nan 0.000 0.443 633 I N -0.321 120.302 120.570 0.089 0.000 2.179 633 I HA -0.294 3.876 4.170 0.001 0.000 0.242 633 I C 3.019 179.218 176.117 0.138 0.000 1.088 633 I CA 1.035 62.439 61.300 0.172 0.000 1.357 633 I CB -0.418 37.650 38.000 0.113 0.000 1.051 633 I HN 0.379 nan 8.210 nan 0.000 0.409 634 A N 1.146 124.013 122.820 0.078 0.000 1.892 634 A HA -0.222 4.098 4.320 0.001 0.000 0.218 634 A C 2.281 179.888 177.584 0.038 0.000 1.188 634 A CA 1.752 53.824 52.037 0.058 0.000 0.631 634 A CB -0.906 18.123 19.000 0.049 0.000 0.822 634 A HN 0.421 nan 8.150 nan 0.000 0.447 635 I N -0.902 119.679 120.570 0.018 0.000 2.394 635 I HA -0.276 3.894 4.170 0.001 0.000 0.251 635 I C 2.428 178.513 176.117 -0.053 0.000 1.136 635 I CA 0.833 62.122 61.300 -0.018 0.000 1.425 635 I CB -0.435 37.548 38.000 -0.028 0.000 1.079 635 I HN 0.388 nan 8.210 nan 0.000 0.425 636 C N 0.673 119.935 119.300 -0.063 0.000 2.429 636 C HA -0.114 4.346 4.460 0.001 0.000 0.277 636 C C 2.922 177.859 174.990 -0.088 0.000 1.262 636 C CA 0.764 59.669 59.018 -0.189 0.000 1.733 636 C CB -1.128 26.352 27.740 -0.433 0.000 2.010 636 C HN 0.424 nan 8.230 nan 0.000 0.483 637 R N 0.385 120.922 120.500 0.062 0.000 2.081 637 R HA -0.128 4.212 4.340 0.001 0.000 0.235 637 R C 2.430 178.741 176.300 0.018 0.000 1.131 637 R CA 1.330 57.481 56.100 0.085 0.000 0.960 637 R CB -0.416 29.944 30.300 0.098 0.000 0.856 637 R HN 0.536 nan 8.270 nan 0.000 0.436 638 R N 1.701 122.200 120.500 -0.001 0.000 2.091 638 R HA -0.123 4.218 4.340 0.001 0.000 0.238 638 R C 2.144 178.422 176.300 -0.036 0.000 1.136 638 R CA 1.780 57.870 56.100 -0.016 0.000 0.959 638 R CB -0.251 30.038 30.300 -0.019 0.000 0.856 638 R HN 0.392 nan 8.270 nan 0.000 0.437 639 I N -3.882 116.650 120.570 -0.064 0.000 3.793 639 I HA 0.383 4.553 4.170 0.001 0.000 0.315 639 I C 0.964 177.033 176.117 -0.081 0.000 1.275 639 I CA 0.727 61.978 61.300 -0.083 0.000 1.214 639 I CB 0.768 38.690 38.000 -0.130 0.000 1.018 639 I HN 0.365 nan 8.210 nan 0.000 0.439 640 G N 1.784 110.543 108.800 -0.068 0.000 2.253 640 G HA2 -0.249 3.712 3.960 0.001 0.000 0.209 640 G HA3 -0.249 3.712 3.960 0.001 0.000 0.209 640 G C 0.750 175.606 174.900 -0.074 0.000 0.997 640 G CA 0.245 45.315 45.100 -0.050 0.000 0.640 640 G HN 0.398 nan 8.290 nan 0.000 0.496 641 I N 0.151 120.620 120.570 -0.168 0.000 2.127 641 I HA 0.024 4.194 4.170 0.001 0.000 0.241 641 I C 1.196 177.200 176.117 -0.188 0.000 1.075 641 I CA 1.335 62.469 61.300 -0.277 0.000 1.334 641 I CB -0.235 37.447 38.000 -0.530 0.000 1.040 641 I HN 0.110 nan 8.210 nan 0.000 0.405 642 F N 0.252 120.172 119.950 -0.049 0.000 2.483 642 F HA 0.529 5.056 4.527 0.001 0.000 0.329 642 F C 0.946 176.724 175.800 -0.037 0.000 1.064 642 F CA -1.599 56.374 58.000 -0.045 0.000 0.986 642 F CB 0.516 39.484 39.000 -0.053 0.000 1.218 642 F HN -0.203 nan 8.300 nan 0.000 0.484 643 G N 0.282 109.194 108.800 0.186 0.000 2.503 643 G HA2 0.146 4.107 3.960 0.001 0.000 0.257 643 G HA3 0.146 4.107 3.960 0.001 0.000 0.257 643 G C 0.702 175.642 174.900 0.066 0.000 1.214 643 G CA -0.304 44.846 45.100 0.083 0.000 0.839 643 G HN 0.828 nan 8.290 nan 0.000 0.559 644 E N 0.433 120.656 120.200 0.039 0.000 2.130 644 E HA -0.152 4.199 4.350 0.001 0.000 0.196 644 E C 1.122 177.727 176.600 0.008 0.000 0.998 644 E CA 1.358 57.773 56.400 0.026 0.000 0.806 644 E CB 0.120 29.829 29.700 0.015 0.000 0.738 644 E HN 0.544 nan 8.360 nan 0.000 0.459 645 N N 0.719 119.416 118.700 -0.004 0.000 2.177 645 N HA 0.005 4.746 4.740 0.001 0.000 0.218 645 N C -0.629 174.855 175.510 -0.044 0.000 1.182 645 N CA 0.044 53.080 53.050 -0.023 0.000 0.882 645 N CB 0.576 39.052 38.487 -0.018 0.000 1.052 645 N HN 0.333 nan 8.380 nan 0.000 0.519 646 E N 0.980 121.150 120.200 -0.050 0.000 2.366 646 E HA 0.117 4.468 4.350 0.001 0.000 0.266 646 E C -0.314 176.190 176.600 -0.159 0.000 1.051 646 E CA -0.373 55.977 56.400 -0.084 0.000 0.884 646 E CB 1.113 30.777 29.700 -0.061 0.000 1.006 646 E HN -0.165 nan 8.360 nan 0.000 0.417 647 E N 1.965 122.072 120.200 -0.156 0.000 2.360 647 E HA 0.052 4.403 4.350 0.001 0.000 0.269 647 E C 0.137 176.552 176.600 -0.309 0.000 1.022 647 E CA 0.053 56.337 56.400 -0.192 0.000 0.887 647 E CB 1.630 31.248 29.700 -0.136 0.000 0.990 647 E HN 0.535 nan 8.360 nan 0.000 0.426 648 V N 0.560 120.236 119.914 -0.396 0.000 3.329 648 V HA 0.330 4.451 4.120 0.001 0.000 0.317 648 V C 1.349 177.195 176.094 -0.414 0.000 1.495 648 V CA 0.378 62.325 62.300 -0.589 0.000 1.105 648 V CB 0.168 31.276 31.823 -1.191 0.000 0.985 648 V HN 0.536 nan 8.190 nan 0.000 0.475 649 A N 2.426 125.074 122.820 -0.288 0.000 1.940 649 A HA -0.263 4.058 4.320 0.001 0.000 0.221 649 A C 1.713 179.114 177.584 -0.305 0.000 1.190 649 A CA 2.599 54.487 52.037 -0.247 0.000 0.647 649 A CB -0.539 18.363 19.000 -0.164 0.000 0.821 649 A HN 0.892 nan 8.150 nan 0.000 0.457 650 D N -2.288 117.966 120.400 -0.242 0.000 2.501 650 D HA 0.130 4.770 4.640 0.001 0.000 0.226 650 D C 0.898 177.129 176.300 -0.116 0.000 1.198 650 D CA -0.160 53.732 54.000 -0.180 0.000 0.830 650 D CB -0.208 40.584 40.800 -0.013 0.000 1.014 650 D HN 0.504 nan 8.370 nan 0.000 0.496 651 R N -0.216 120.146 120.500 -0.230 0.000 2.535 651 R HA 0.533 4.874 4.340 0.001 0.000 0.323 651 R C -0.170 176.094 176.300 -0.060 0.000 0.979 651 R CA -0.155 55.904 56.100 -0.068 0.000 1.120 651 R CB 1.594 31.860 30.300 -0.056 0.000 1.306 651 R HN 0.122 nan 8.270 nan 0.000 0.540 652 A N 0.660 123.275 122.820 -0.342 0.000 2.459 652 A HA 0.689 5.010 4.320 0.001 0.000 0.296 652 A C -1.658 175.611 177.584 -0.524 0.000 1.039 652 A CA -0.518 51.360 52.037 -0.266 0.000 0.698 652 A CB 0.976 19.930 19.000 -0.077 0.000 1.261 652 A HN 0.152 nan 8.150 nan 0.000 0.405 653 Y N 0.177 120.389 120.300 -0.146 0.000 2.553 653 Y HA 0.638 5.188 4.550 0.001 0.000 0.347 653 Y C 0.890 176.872 175.900 0.137 0.000 1.019 653 Y CA -0.322 57.803 58.100 0.041 0.000 1.032 653 Y CB 2.433 41.006 38.460 0.189 0.000 1.284 653 Y HN 0.794 nan 8.280 nan 0.000 0.466 654 T N -2.437 112.306 114.554 0.315 0.000 2.912 654 T HA 0.418 4.769 4.350 0.001 0.000 0.280 654 T C 1.275 176.152 174.700 0.293 0.000 0.989 654 T CA -0.187 62.065 62.100 0.253 0.000 0.995 654 T CB 1.423 70.400 68.868 0.182 0.000 1.077 654 T HN 0.832 nan 8.240 nan 0.000 0.531 655 G N 0.248 109.197 108.800 0.248 0.000 2.440 655 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 655 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 655 G C 1.673 176.769 174.900 0.326 0.000 1.154 655 G CA 0.198 45.463 45.100 0.274 0.000 0.767 655 G HN 0.632 nan 8.290 nan 0.000 0.552 656 R N 0.835 121.489 120.500 0.257 0.000 2.080 656 R HA -0.078 4.262 4.340 0.001 0.000 0.236 656 R C 2.560 178.981 176.300 0.201 0.000 1.137 656 R CA 1.837 58.061 56.100 0.207 0.000 0.943 656 R CB -0.683 29.707 30.300 0.151 0.000 0.846 656 R HN 0.570 nan 8.270 nan 0.000 0.431 657 E N -0.860 119.477 120.200 0.227 0.000 2.085 657 E HA -0.213 4.138 4.350 0.001 0.000 0.194 657 E C 1.870 178.615 176.600 0.242 0.000 0.994 657 E CA 1.293 57.838 56.400 0.243 0.000 0.801 657 E CB -0.338 29.555 29.700 0.322 0.000 0.743 657 E HN 0.242 nan 8.360 nan 0.000 0.453 658 F N 2.382 122.396 119.950 0.106 0.000 2.134 658 F HA -0.196 4.331 4.527 0.001 0.000 0.299 658 F C 1.783 177.571 175.800 -0.021 0.000 1.097 658 F CA 1.548 59.519 58.000 -0.048 0.000 1.264 658 F CB 0.019 38.919 39.000 -0.167 0.000 1.001 658 F HN -0.112 nan 8.300 nan 0.000 0.479 659 D N 0.091 120.572 120.400 0.134 0.000 2.178 659 D HA -0.155 4.485 4.640 0.001 0.000 0.202 659 D C 1.598 177.895 176.300 -0.006 0.000 0.974 659 D CA 1.265 55.322 54.000 0.095 0.000 0.841 659 D CB -0.389 40.541 40.800 0.217 0.000 0.953 659 D HN 0.381 nan 8.370 nan 0.000 0.478 660 D N 0.130 120.537 120.400 0.010 0.000 2.348 660 D HA 0.006 4.647 4.640 0.001 0.000 0.216 660 D C 0.796 177.064 176.300 -0.053 0.000 0.970 660 D CA 0.157 54.157 54.000 -0.001 0.000 0.889 660 D CB 0.424 41.245 40.800 0.035 0.000 0.912 660 D HN 0.243 nan 8.370 nan 0.000 0.524 661 L N 2.449 123.589 121.223 -0.139 0.000 2.371 661 L HA 0.239 4.579 4.340 0.001 0.000 0.272 661 L C -1.925 174.828 176.870 -0.195 0.000 1.124 661 L CA -1.710 53.019 54.840 -0.187 0.000 0.816 661 L CB 0.890 42.755 42.059 -0.324 0.000 1.129 661 L HN -0.203 nan 8.230 nan 0.000 0.448 662 P HA 0.069 nan 4.420 nan 0.000 0.274 662 P C 0.608 177.822 177.300 -0.143 0.000 1.237 662 P CA -0.559 62.477 63.100 -0.107 0.000 0.793 662 P CB 0.994 32.652 31.700 -0.070 0.000 0.977 663 L N 1.951 123.124 121.223 -0.085 0.000 2.064 663 L HA -0.276 4.065 4.340 0.001 0.000 0.216 663 L C 2.768 179.559 176.870 -0.131 0.000 1.077 663 L CA 2.990 57.799 54.840 -0.051 0.000 0.766 663 L CB -2.080 40.002 42.059 0.038 0.000 0.890 663 L HN 0.463 nan 8.230 nan 0.000 0.435 664 A N -0.956 121.802 122.820 -0.103 0.000 1.902 664 A HA -0.210 4.110 4.320 0.001 0.000 0.217 664 A C 2.282 179.772 177.584 -0.156 0.000 1.181 664 A CA 1.719 53.691 52.037 -0.108 0.000 0.623 664 A CB -0.489 18.475 19.000 -0.060 0.000 0.818 664 A HN 0.528 nan 8.150 nan 0.000 0.443 665 E N -0.437 119.664 120.200 -0.165 0.000 2.208 665 E HA -0.178 4.172 4.350 0.001 0.000 0.193 665 E C 2.252 178.679 176.600 -0.289 0.000 0.988 665 E CA 1.029 57.325 56.400 -0.173 0.000 0.828 665 E CB -0.143 29.474 29.700 -0.139 0.000 0.763 665 E HN 0.735 nan 8.360 nan 0.000 0.478 666 Q N 0.383 119.912 119.800 -0.452 0.000 2.079 666 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 666 Q C 2.254 177.872 176.000 -0.637 0.000 0.974 666 Q CA 0.983 56.383 55.803 -0.672 0.000 0.840 666 Q CB -0.170 28.063 28.738 -0.842 0.000 0.898 666 Q HN 0.128 nan 8.270 nan 0.000 0.430 667 R N 1.006 120.963 120.500 -0.904 0.000 2.073 667 R HA -0.214 4.127 4.340 0.001 0.000 0.234 667 R C 2.086 178.327 176.300 -0.098 0.000 1.134 667 R CA 1.709 57.352 56.100 -0.761 0.000 0.952 667 R CB -0.025 29.987 30.300 -0.480 0.000 0.850 667 R HN 0.080 nan 8.270 nan 0.000 0.433 668 E N 0.410 120.573 120.200 -0.062 0.000 2.077 668 E HA -0.125 4.225 4.350 0.001 0.000 0.193 668 E C 1.702 178.328 176.600 0.044 0.000 0.989 668 E CA 1.698 58.131 56.400 0.054 0.000 0.800 668 E CB -0.264 29.446 29.700 0.017 0.000 0.746 668 E HN 0.464 nan 8.360 nan 0.000 0.452 669 A N -0.252 122.563 122.820 -0.008 0.000 1.940 669 A HA -0.216 4.105 4.320 0.001 0.000 0.219 669 A C 2.504 180.186 177.584 0.164 0.000 1.176 669 A CA 1.571 53.627 52.037 0.032 0.000 0.631 669 A CB -0.971 17.860 19.000 -0.282 0.000 0.814 669 A HN 0.500 nan 8.150 nan 0.000 0.446 670 C N -0.432 118.996 119.300 0.214 0.000 2.446 670 C HA -0.027 4.433 4.460 0.001 0.000 0.279 670 C C 2.759 177.861 174.990 0.187 0.000 1.366 670 C CA 0.905 60.105 59.018 0.302 0.000 1.763 670 C CB -1.291 26.667 27.740 0.363 0.000 1.929 670 C HN 0.805 nan 8.230 nan 0.000 0.509 671 R N 1.905 122.445 120.500 0.066 0.000 2.189 671 R HA -0.046 4.294 4.340 0.001 0.000 0.218 671 R C 1.916 178.168 176.300 -0.081 0.000 1.074 671 R CA 1.361 57.354 56.100 -0.179 0.000 0.991 671 R CB -0.370 29.544 30.300 -0.644 0.000 0.883 671 R HN 0.667 nan 8.270 nan 0.000 0.457 672 R N -0.010 120.498 120.500 0.013 0.000 2.394 672 R HA 0.390 4.731 4.340 0.001 0.000 0.220 672 R C 0.259 176.607 176.300 0.081 0.000 0.887 672 R CA 0.197 56.318 56.100 0.036 0.000 1.034 672 R CB 0.320 30.641 30.300 0.035 0.000 1.179 672 R HN 0.074 nan 8.270 nan 0.000 0.561 673 A N 0.774 123.658 122.820 0.106 0.000 2.462 673 A HA 0.278 4.599 4.320 0.001 0.000 0.243 673 A C 0.467 178.045 177.584 -0.009 0.000 1.076 673 A CA -0.300 51.760 52.037 0.038 0.000 0.773 673 A CB 0.371 19.309 19.000 -0.102 0.000 1.010 673 A HN 0.531 nan 8.150 nan 0.000 0.493 674 C N 0.537 119.824 119.300 -0.021 0.000 3.642 674 C HA 0.389 4.849 4.460 0.001 0.000 0.305 674 C C 0.423 175.274 174.990 -0.232 0.000 1.492 674 C CA -0.286 58.668 59.018 -0.107 0.000 1.809 674 C CB -1.225 26.419 27.740 -0.161 0.000 2.639 674 C HN 0.875 nan 8.230 nan 0.000 0.672 675 C N 1.374 120.527 119.300 -0.245 0.000 2.607 675 C HA 0.743 5.204 4.460 0.001 0.000 0.350 675 C C -1.781 173.003 174.990 -0.343 0.000 1.101 675 C CA -0.442 58.451 59.018 -0.208 0.000 1.282 675 C CB -0.331 27.369 27.740 -0.066 0.000 1.825 675 C HN 0.398 nan 8.230 nan 0.000 0.460 676 F N 4.558 124.528 119.950 0.033 0.000 2.507 676 F HA 0.706 5.233 4.527 0.001 0.000 0.328 676 F C 0.498 176.316 175.800 0.029 0.000 1.136 676 F CA -0.145 57.872 58.000 0.029 0.000 0.930 676 F CB 1.815 40.788 39.000 -0.045 0.000 1.166 676 F HN 0.851 nan 8.300 nan 0.000 0.436 677 A N 3.188 126.144 122.820 0.225 0.000 2.355 677 A HA 0.820 5.140 4.320 0.001 0.000 0.324 677 A C -0.014 177.668 177.584 0.164 0.000 1.117 677 A CA -0.872 51.258 52.037 0.155 0.000 0.785 677 A CB 0.928 19.995 19.000 0.112 0.000 1.254 677 A HN 0.728 nan 8.150 nan 0.000 0.453 678 R N -0.242 120.338 120.500 0.133 0.000 3.127 678 R HA -0.126 4.214 4.340 0.001 0.000 0.247 678 R C -0.721 175.678 176.300 0.166 0.000 0.896 678 R CA 0.387 56.566 56.100 0.131 0.000 0.624 678 R CB -2.524 27.853 30.300 0.128 0.000 1.154 678 R HN 0.520 nan 8.270 nan 0.000 0.474 679 V N 2.251 122.260 119.914 0.159 0.000 2.432 679 V HA 0.083 4.203 4.120 0.001 0.000 0.275 679 V C 1.290 177.486 176.094 0.170 0.000 1.043 679 V CA -0.338 62.097 62.300 0.225 0.000 0.925 679 V CB 1.579 33.475 31.823 0.122 0.000 0.985 679 V HN 0.227 nan 8.190 nan 0.000 0.466 680 E N 7.490 127.812 120.200 0.203 0.000 2.447 680 E HA 0.017 4.367 4.350 0.001 0.000 0.259 680 E C -1.344 175.118 176.600 -0.230 0.000 1.196 680 E CA -1.002 55.273 56.400 -0.208 0.000 0.995 680 E CB 0.171 29.448 29.700 -0.705 0.000 0.974 680 E HN 0.450 nan 8.360 nan 0.000 0.465 681 P HA -0.125 nan 4.420 nan 0.000 0.217 681 P C 0.925 178.128 177.300 -0.163 0.000 1.150 681 P CA 1.497 64.501 63.100 -0.159 0.000 0.832 681 P CB 0.233 31.845 31.700 -0.146 0.000 0.787 682 S N -2.643 112.924 115.700 -0.221 0.000 2.556 682 S HA 0.033 4.504 4.470 0.001 0.000 0.216 682 S C 1.732 176.269 174.600 -0.104 0.000 0.970 682 S CA -0.295 57.815 58.200 -0.151 0.000 0.912 682 S CB -1.151 61.974 63.200 -0.124 0.000 0.790 682 S HN 0.079 nan 8.310 nan 0.000 0.504 683 H N 2.627 121.637 119.070 -0.101 0.000 2.387 683 H HA 0.066 4.623 4.556 0.001 0.000 0.299 683 H C 1.889 177.061 175.328 -0.261 0.000 1.099 683 H CA 1.476 57.406 56.048 -0.197 0.000 1.315 683 H CB -0.197 29.392 29.762 -0.288 0.000 1.380 683 H HN 0.490 nan 8.280 nan 0.000 0.513 684 K N 0.124 120.476 120.400 -0.080 0.000 2.063 684 K HA -0.103 4.217 4.320 0.001 0.000 0.208 684 K C 2.476 179.018 176.600 -0.096 0.000 1.048 684 K CA 1.434 57.655 56.287 -0.110 0.000 0.928 684 K CB -0.034 32.423 32.500 -0.072 0.000 0.713 684 K HN 0.057 nan 8.250 nan 0.000 0.442 685 S N 0.880 116.533 115.700 -0.078 0.000 2.368 685 S HA -0.092 4.378 4.470 0.001 0.000 0.224 685 S C 1.701 176.239 174.600 -0.103 0.000 1.029 685 S CA 1.213 59.367 58.200 -0.078 0.000 0.988 685 S CB 0.002 63.160 63.200 -0.071 0.000 0.838 685 S HN 0.266 nan 8.310 nan 0.000 0.462 686 K N 0.668 121.010 120.400 -0.096 0.000 2.148 686 K HA 0.051 4.371 4.320 0.001 0.000 0.204 686 K C 1.913 178.419 176.600 -0.156 0.000 1.050 686 K CA 0.960 57.154 56.287 -0.156 0.000 0.942 686 K CB -0.253 32.266 32.500 0.032 0.000 0.724 686 K HN 0.359 nan 8.250 nan 0.000 0.446 687 I N 0.630 121.129 120.570 -0.119 0.000 2.252 687 I HA -0.255 3.916 4.170 0.001 0.000 0.245 687 I C 2.223 178.347 176.117 0.012 0.000 1.102 687 I CA 0.971 62.222 61.300 -0.081 0.000 1.385 687 I CB -0.229 37.580 38.000 -0.320 0.000 1.064 687 I HN -0.080 nan 8.210 nan 0.000 0.414 688 V N 0.757 120.650 119.914 -0.036 0.000 2.295 688 V HA -0.316 3.804 4.120 0.001 0.000 0.246 688 V C 2.472 178.564 176.094 -0.005 0.000 1.049 688 V CA 2.122 64.419 62.300 -0.005 0.000 1.024 688 V CB -0.619 31.189 31.823 -0.025 0.000 0.648 688 V HN 0.472 nan 8.190 nan 0.000 0.447 689 E N -0.758 119.392 120.200 -0.083 0.000 2.058 689 E HA -0.261 4.090 4.350 0.001 0.000 0.194 689 E C 2.226 178.790 176.600 -0.059 0.000 0.997 689 E CA 1.916 58.237 56.400 -0.132 0.000 0.801 689 E CB -0.200 29.332 29.700 -0.280 0.000 0.746 689 E HN 0.679 nan 8.360 nan 0.000 0.450 690 Y N -0.125 120.206 120.300 0.051 0.000 2.224 690 Y HA -0.168 4.382 4.550 0.001 0.000 0.289 690 Y C 2.101 178.084 175.900 0.138 0.000 1.146 690 Y CA 0.595 58.741 58.100 0.077 0.000 1.182 690 Y CB -0.410 38.142 38.460 0.154 0.000 0.983 690 Y HN 0.156 nan 8.280 nan 0.000 0.524 691 L N -0.002 121.405 121.223 0.308 0.000 2.093 691 L HA -0.209 4.131 4.340 0.001 0.000 0.208 691 L C 2.166 179.169 176.870 0.221 0.000 1.085 691 L CA 1.682 56.695 54.840 0.289 0.000 0.755 691 L CB -1.221 40.949 42.059 0.185 0.000 0.904 691 L HN 0.292 nan 8.230 nan 0.000 0.435 692 Q N -1.213 118.662 119.800 0.125 0.000 2.224 692 Q HA -0.115 4.225 4.340 0.001 0.000 0.203 692 Q C 1.919 177.949 176.000 0.051 0.000 0.970 692 Q CA 1.358 57.206 55.803 0.075 0.000 0.865 692 Q CB -0.232 28.524 28.738 0.031 0.000 0.922 692 Q HN 0.610 nan 8.270 nan 0.000 0.445 693 S N -0.832 114.876 115.700 0.014 0.000 2.727 693 S HA -0.055 4.415 4.470 0.001 0.000 0.226 693 S C 0.519 174.974 174.600 -0.241 0.000 0.963 693 S CA 0.312 58.443 58.200 -0.114 0.000 0.950 693 S CB -0.001 63.107 63.200 -0.154 0.000 0.779 693 S HN 0.352 nan 8.310 nan 0.000 0.532 694 Y N 0.806 121.146 120.300 0.066 0.000 2.626 694 Y HA 0.276 4.826 4.550 0.001 0.000 0.248 694 Y C 0.083 176.007 175.900 0.040 0.000 1.147 694 Y CA -0.982 57.150 58.100 0.053 0.000 1.219 694 Y CB 0.419 38.915 38.460 0.060 0.000 1.279 694 Y HN 0.167 nan 8.280 nan 0.000 0.541 695 D N 0.176 120.666 120.400 0.150 0.000 3.041 695 D HA -0.165 4.475 4.640 0.001 0.000 0.220 695 D C -0.541 175.813 176.300 0.090 0.000 1.157 695 D CA 0.746 54.803 54.000 0.095 0.000 0.876 695 D CB -0.785 40.060 40.800 0.076 0.000 1.107 695 D HN 0.385 nan 8.370 nan 0.000 0.422 696 E N 0.102 120.373 120.200 0.117 0.000 2.360 696 E HA 0.232 4.582 4.350 0.001 0.000 0.269 696 E C 0.727 177.361 176.600 0.057 0.000 1.022 696 E CA -0.356 56.097 56.400 0.088 0.000 0.887 696 E CB 0.893 30.660 29.700 0.111 0.000 0.990 696 E HN 0.112 nan 8.360 nan 0.000 0.426 697 I N 2.695 123.285 120.570 0.034 0.000 2.291 697 I HA 0.044 4.214 4.170 0.001 0.000 0.292 697 I C 0.308 176.439 176.117 0.022 0.000 1.064 697 I CA 0.042 61.351 61.300 0.016 0.000 1.269 697 I CB 0.524 38.520 38.000 -0.007 0.000 1.418 697 I HN 0.179 nan 8.210 nan 0.000 0.485 698 T N 5.964 120.534 114.554 0.027 0.000 2.799 698 T HA 0.740 5.090 4.350 0.001 0.000 0.286 698 T C 0.031 174.742 174.700 0.020 0.000 0.973 698 T CA -0.622 61.497 62.100 0.032 0.000 1.035 698 T CB 1.283 70.176 68.868 0.042 0.000 0.932 698 T HN 0.613 nan 8.240 nan 0.000 0.469 699 A N 3.651 126.485 122.820 0.024 0.000 2.288 699 A HA 0.805 5.125 4.320 0.001 0.000 0.320 699 A C -0.481 177.122 177.584 0.030 0.000 1.217 699 A CA -0.772 51.274 52.037 0.016 0.000 0.840 699 A CB 0.761 19.764 19.000 0.004 0.000 1.179 699 A HN 0.767 nan 8.150 nan 0.000 0.504 700 M N 2.807 122.421 119.600 0.022 0.000 2.393 700 M HA 0.552 5.033 4.480 0.001 0.000 0.299 700 M C 0.006 176.320 176.300 0.023 0.000 1.103 700 M CA -0.063 55.252 55.300 0.026 0.000 0.910 700 M CB 2.058 34.665 32.600 0.011 0.000 1.659 700 M HN 0.756 nan 8.290 nan 0.000 0.445 701 T N 1.250 115.825 114.554 0.035 0.000 2.934 701 T HA 1.004 5.354 4.350 0.001 0.000 0.283 701 T C 0.125 174.836 174.700 0.019 0.000 1.005 701 T CA -0.182 61.937 62.100 0.032 0.000 1.041 701 T CB 1.472 70.372 68.868 0.055 0.000 1.042 701 T HN 1.122 nan 8.240 nan 0.000 0.505 702 G N -0.126 108.683 108.800 0.014 0.000 2.466 702 G HA2 0.501 4.461 3.960 0.001 0.000 0.291 702 G HA3 0.501 4.461 3.960 0.001 0.000 0.291 702 G C -0.746 174.157 174.900 0.006 0.000 1.460 702 G CA -0.138 44.965 45.100 0.005 0.000 0.791 702 G HN 0.783 nan 8.290 nan 0.000 0.505 703 D N -1.458 118.942 120.400 0.000 0.000 2.204 703 D HA 0.196 4.836 4.640 0.001 0.000 0.337 703 D C 0.916 177.215 176.300 -0.001 0.000 1.054 703 D CA 0.832 54.835 54.000 0.005 0.000 0.869 703 D CB 0.473 41.279 40.800 0.010 0.000 1.548 703 D HN 0.891 nan 8.370 nan 0.000 0.530 704 G N 1.058 109.846 108.800 -0.019 0.000 2.552 704 G HA2 0.454 4.414 3.960 0.001 0.000 0.324 704 G HA3 0.454 4.414 3.960 0.001 0.000 0.324 704 G C 1.267 176.134 174.900 -0.055 0.000 1.217 704 G CA -0.039 45.037 45.100 -0.041 0.000 0.989 704 G HN 0.194 nan 8.290 nan 0.000 0.490 705 V N -0.602 119.253 119.914 -0.097 0.000 2.469 705 V HA -0.188 3.932 4.120 0.001 0.000 0.251 705 V C 2.161 178.201 176.094 -0.089 0.000 1.064 705 V CA 2.116 64.359 62.300 -0.095 0.000 1.066 705 V CB -0.826 30.893 31.823 -0.174 0.000 0.667 705 V HN 0.727 nan 8.190 nan 0.000 0.461 706 N N 0.292 118.928 118.700 -0.107 0.000 2.520 706 N HA -0.168 4.572 4.740 0.001 0.000 0.185 706 N C 1.143 176.608 175.510 -0.075 0.000 1.068 706 N CA 1.598 54.586 53.050 -0.103 0.000 0.911 706 N CB -0.584 37.828 38.487 -0.124 0.000 0.961 706 N HN 0.600 nan 8.380 nan 0.000 0.446 707 D N 0.505 120.871 120.400 -0.057 0.000 2.366 707 D HA 0.186 4.827 4.640 0.001 0.000 0.205 707 D C 1.771 178.051 176.300 -0.033 0.000 1.022 707 D CA 0.338 54.313 54.000 -0.041 0.000 0.868 707 D CB 0.212 40.996 40.800 -0.028 0.000 0.953 707 D HN 0.301 nan 8.370 nan 0.000 0.514 708 A N 2.309 125.111 122.820 -0.032 0.000 1.903 708 A HA -0.176 4.145 4.320 0.001 0.000 0.219 708 A C -0.237 177.333 177.584 -0.024 0.000 1.191 708 A CA 1.576 53.600 52.037 -0.021 0.000 0.638 708 A CB -1.542 17.450 19.000 -0.014 0.000 0.823 708 A HN 0.172 nan 8.150 nan 0.000 0.451 709 P HA -0.159 nan 4.420 nan 0.000 0.214 709 P C 1.813 179.093 177.300 -0.033 0.000 1.163 709 P CA 2.153 65.233 63.100 -0.033 0.000 0.889 709 P CB -0.173 31.501 31.700 -0.042 0.000 0.790 710 A N -0.956 121.842 122.820 -0.037 0.000 1.933 710 A HA -0.151 4.169 4.320 0.001 0.000 0.218 710 A C 2.230 179.800 177.584 -0.024 0.000 1.175 710 A CA 1.355 53.371 52.037 -0.035 0.000 0.628 710 A CB -1.662 17.314 19.000 -0.041 0.000 0.814 710 A HN 0.102 nan 8.150 nan 0.000 0.444 711 L N -0.845 120.366 121.223 -0.019 0.000 2.083 711 L HA -0.186 4.155 4.340 0.001 0.000 0.209 711 L C 2.631 179.495 176.870 -0.012 0.000 1.083 711 L CA 1.903 56.736 54.840 -0.012 0.000 0.752 711 L CB -0.335 41.718 42.059 -0.009 0.000 0.899 711 L HN 0.439 nan 8.230 nan 0.000 0.433 712 K N 0.470 120.861 120.400 -0.014 0.000 2.103 712 K HA -0.213 4.107 4.320 0.001 0.000 0.204 712 K C 2.227 178.818 176.600 -0.015 0.000 1.052 712 K CA 1.234 57.513 56.287 -0.013 0.000 0.945 712 K CB 0.106 32.598 32.500 -0.013 0.000 0.722 712 K HN 0.075 nan 8.250 nan 0.000 0.443 713 K N 0.439 120.828 120.400 -0.019 0.000 2.103 713 K HA 0.020 4.340 4.320 0.001 0.000 0.204 713 K C 0.202 176.793 176.600 -0.014 0.000 1.052 713 K CA 0.639 56.914 56.287 -0.020 0.000 0.945 713 K CB -0.075 32.407 32.500 -0.030 0.000 0.722 713 K HN 0.175 nan 8.250 nan 0.000 0.443 714 A N 1.449 124.262 122.820 -0.012 0.000 2.483 714 A HA -0.003 4.317 4.320 0.001 0.000 0.238 714 A C 0.500 178.082 177.584 -0.004 0.000 1.070 714 A CA -0.110 51.925 52.037 -0.004 0.000 0.770 714 A CB 0.321 19.321 19.000 -0.001 0.000 1.008 714 A HN 0.383 nan 8.150 nan 0.000 0.497 715 E N 0.649 120.849 120.200 -0.001 0.000 2.160 715 E HA -0.099 4.252 4.350 0.001 0.000 0.195 715 E C -0.152 176.444 176.600 -0.008 0.000 0.991 715 E CA 1.473 57.870 56.400 -0.005 0.000 0.810 715 E CB -0.167 29.530 29.700 -0.005 0.000 0.742 715 E HN 0.631 nan 8.360 nan 0.000 0.466 716 I N 0.246 120.812 120.570 -0.006 0.000 2.563 716 I HA 0.281 4.451 4.170 0.001 0.000 0.276 716 I C 0.158 176.272 176.117 -0.005 0.000 1.074 716 I CA -0.777 60.518 61.300 -0.009 0.000 1.124 716 I CB 1.777 39.769 38.000 -0.013 0.000 1.225 716 I HN -0.108 nan 8.210 nan 0.000 0.482 717 G N 6.666 115.463 108.800 -0.005 0.000 2.378 717 G HA2 0.567 4.527 3.960 0.001 0.000 0.255 717 G HA3 0.567 4.527 3.960 0.001 0.000 0.255 717 G C -0.347 174.552 174.900 -0.003 0.000 1.270 717 G CA -0.141 44.957 45.100 -0.004 0.000 0.876 717 G HN 0.515 nan 8.290 nan 0.000 0.521 718 I N 2.185 122.755 120.570 0.001 0.000 2.411 718 I HA 0.430 4.600 4.170 0.001 0.000 0.284 718 I C 0.500 176.621 176.117 0.007 0.000 1.012 718 I CA -0.641 60.660 61.300 0.001 0.000 1.119 718 I CB 1.752 39.752 38.000 -0.001 0.000 1.261 718 I HN 0.551 nan 8.210 nan 0.000 0.448 719 A N 7.559 130.382 122.820 0.005 0.000 2.295 719 A HA 0.815 5.136 4.320 0.001 0.000 0.318 719 A C -0.098 177.493 177.584 0.012 0.000 1.134 719 A CA -0.681 51.362 52.037 0.009 0.000 0.827 719 A CB 0.956 19.962 19.000 0.009 0.000 1.136 719 A HN 0.586 nan 8.150 nan 0.000 0.493 720 M N 1.612 121.221 119.600 0.016 0.000 2.250 720 M HA 0.197 4.678 4.480 0.001 0.000 0.344 720 M C 1.570 177.880 176.300 0.016 0.000 1.150 720 M CA -0.045 55.266 55.300 0.018 0.000 1.147 720 M CB 0.515 33.129 32.600 0.022 0.000 1.498 720 M HN 0.897 nan 8.290 nan 0.000 0.461 721 G N 1.042 109.850 108.800 0.015 0.000 2.443 721 G HA2 -0.141 3.819 3.960 0.001 0.000 0.219 721 G HA3 -0.141 3.819 3.960 0.001 0.000 0.219 721 G C 1.169 176.078 174.900 0.015 0.000 1.131 721 G CA 1.007 46.115 45.100 0.013 0.000 0.775 721 G HN 0.750 nan 8.290 nan 0.000 0.547 722 S N -0.039 115.672 115.700 0.018 0.000 2.634 722 S HA 0.456 4.926 4.470 0.001 0.000 0.221 722 S C 1.186 175.799 174.600 0.023 0.000 0.952 722 S CA 0.130 58.342 58.200 0.020 0.000 0.930 722 S CB 0.403 63.616 63.200 0.021 0.000 0.780 722 S HN 0.442 nan 8.310 nan 0.000 0.498 723 G N 1.587 110.401 108.800 0.023 0.000 2.531 723 G HA2 0.497 4.458 3.960 0.001 0.000 0.281 723 G HA3 0.497 4.458 3.960 0.001 0.000 0.281 723 G C 0.016 174.938 174.900 0.036 0.000 1.382 723 G CA -0.218 44.898 45.100 0.026 0.000 1.045 723 G HN 0.448 nan 8.290 nan 0.000 0.533 724 T N -2.764 111.817 114.554 0.045 0.000 2.860 724 T HA 0.424 4.774 4.350 0.001 0.000 0.299 724 T C 1.574 176.315 174.700 0.069 0.000 1.045 724 T CA 0.430 62.577 62.100 0.078 0.000 1.071 724 T CB 1.413 70.343 68.868 0.103 0.000 0.985 724 T HN 0.874 nan 8.240 nan 0.000 0.537 725 A N 1.810 124.677 122.820 0.078 0.000 1.969 725 A HA 0.070 4.391 4.320 0.001 0.000 0.218 725 A C 2.340 179.955 177.584 0.053 0.000 1.169 725 A CA 1.214 53.278 52.037 0.044 0.000 0.635 725 A CB -1.015 17.993 19.000 0.013 0.000 0.810 725 A HN 0.743 nan 8.150 nan 0.000 0.445 726 V N -0.111 119.865 119.914 0.103 0.000 2.295 726 V HA -0.261 3.859 4.120 0.001 0.000 0.246 726 V C 3.081 179.205 176.094 0.051 0.000 1.049 726 V CA 1.967 64.325 62.300 0.098 0.000 1.024 726 V CB -1.239 30.688 31.823 0.173 0.000 0.648 726 V HN 0.607 nan 8.190 nan 0.000 0.447 727 A N -0.143 122.702 122.820 0.043 0.000 1.908 727 A HA -0.273 4.047 4.320 0.001 0.000 0.218 727 A C 2.269 179.863 177.584 0.016 0.000 1.181 727 A CA 2.180 54.229 52.037 0.020 0.000 0.627 727 A CB -0.482 18.527 19.000 0.015 0.000 0.818 727 A HN 0.577 nan 8.150 nan 0.000 0.445 728 K N -0.588 119.824 120.400 0.019 0.000 2.032 728 K HA -0.139 4.181 4.320 0.001 0.000 0.209 728 K C 2.190 178.793 176.600 0.005 0.000 1.048 728 K CA 1.886 58.179 56.287 0.011 0.000 0.927 728 K CB -0.595 31.911 32.500 0.011 0.000 0.712 728 K HN 0.741 nan 8.250 nan 0.000 0.441 729 T N -0.913 113.646 114.554 0.008 0.000 2.962 729 T HA -0.018 4.332 4.350 0.001 0.000 0.270 729 T C 1.886 176.585 174.700 -0.000 0.000 1.088 729 T CA 1.004 63.104 62.100 0.000 0.000 1.127 729 T CB -0.090 68.779 68.868 0.001 0.000 0.883 729 T HN 0.176 nan 8.240 nan 0.000 0.493 730 A N 1.334 124.156 122.820 0.004 0.000 2.275 730 A HA 0.479 4.800 4.320 0.001 0.000 0.212 730 A C 1.395 178.978 177.584 -0.003 0.000 1.201 730 A CA 0.093 52.130 52.037 -0.000 0.000 0.843 730 A CB -0.229 18.772 19.000 0.001 0.000 0.873 730 A HN 0.655 nan 8.150 nan 0.000 0.492 731 S N -1.310 114.389 115.700 -0.002 0.000 2.638 731 S HA 0.541 5.012 4.470 0.001 0.000 0.298 731 S C 0.202 174.799 174.600 -0.005 0.000 1.111 731 S CA -0.434 57.764 58.200 -0.003 0.000 1.027 731 S CB 1.527 64.727 63.200 -0.001 0.000 1.064 731 S HN 0.090 nan 8.310 nan 0.000 0.525 732 E N 0.380 120.576 120.200 -0.006 0.000 2.230 732 E HA 0.268 4.618 4.350 0.001 0.000 0.192 732 E C 0.323 176.919 176.600 -0.007 0.000 0.987 732 E CA 0.675 57.071 56.400 -0.007 0.000 0.841 732 E CB 0.077 29.773 29.700 -0.008 0.000 0.783 732 E HN 0.734 nan 8.360 nan 0.000 0.481 733 M N -0.210 119.385 119.600 -0.008 0.000 2.484 733 M HA 0.425 4.905 4.480 0.001 0.000 0.289 733 M C -1.790 174.506 176.300 -0.007 0.000 1.206 733 M CA -0.787 54.508 55.300 -0.009 0.000 0.892 733 M CB 2.028 34.619 32.600 -0.016 0.000 1.712 733 M HN -0.292 nan 8.290 nan 0.000 0.462 734 V N 4.845 124.755 119.914 -0.006 0.000 2.540 734 V HA 0.441 4.561 4.120 0.001 0.000 0.302 734 V C -0.581 175.510 176.094 -0.004 0.000 1.035 734 V CA -0.711 61.588 62.300 -0.002 0.000 0.873 734 V CB 1.842 33.665 31.823 0.000 0.000 0.992 734 V HN 0.788 nan 8.190 nan 0.000 0.428 735 L N 4.234 125.456 121.223 -0.002 0.000 2.282 735 L HA 0.374 4.714 4.340 0.001 0.000 0.287 735 L C 1.589 178.461 176.870 0.003 0.000 1.075 735 L CA -0.265 54.573 54.840 -0.003 0.000 0.839 735 L CB 0.936 42.995 42.059 0.001 0.000 1.219 735 L HN 0.836 nan 8.230 nan 0.000 0.434 736 A N 2.394 125.214 122.820 0.001 0.000 2.125 736 A HA -0.171 4.149 4.320 0.001 0.000 0.219 736 A C 1.416 179.004 177.584 0.008 0.000 1.156 736 A CA 1.697 53.737 52.037 0.004 0.000 0.671 736 A CB -0.323 18.678 19.000 0.002 0.000 0.794 736 A HN 0.867 nan 8.150 nan 0.000 0.459 737 D N -3.133 117.272 120.400 0.008 0.000 2.503 737 D HA 0.151 4.792 4.640 0.001 0.000 0.218 737 D C -0.226 176.087 176.300 0.021 0.000 1.183 737 D CA 0.466 54.474 54.000 0.013 0.000 0.827 737 D CB -0.283 40.524 40.800 0.011 0.000 1.034 737 D HN 0.155 nan 8.370 nan 0.000 0.510 738 D N 0.064 120.476 120.400 0.021 0.000 3.028 738 D HA -0.244 4.396 4.640 0.001 0.000 0.211 738 D C -0.165 176.164 176.300 0.049 0.000 1.136 738 D CA 0.952 54.971 54.000 0.032 0.000 0.987 738 D CB -1.986 38.834 40.800 0.033 0.000 1.128 738 D HN 0.587 nan 8.370 nan 0.000 0.406 739 N N -0.530 118.196 118.700 0.043 0.000 2.442 739 N HA 0.162 4.902 4.740 0.001 0.000 0.265 739 N C 1.167 176.727 175.510 0.084 0.000 1.138 739 N CA -0.375 52.716 53.050 0.068 0.000 0.956 739 N CB 0.245 38.760 38.487 0.046 0.000 1.067 739 N HN -0.005 nan 8.380 nan 0.000 0.474 740 F N 3.750 123.697 119.950 -0.004 0.000 2.154 740 F HA -0.268 4.259 4.527 0.001 0.000 0.301 740 F C 2.488 178.284 175.800 -0.006 0.000 1.087 740 F CA 2.033 60.029 58.000 -0.006 0.000 1.274 740 F CB -0.358 38.635 39.000 -0.010 0.000 1.009 740 F HN 0.594 nan 8.300 nan 0.000 0.485 741 S N -1.450 114.272 115.700 0.037 0.000 2.442 741 S HA -0.196 4.274 4.470 0.001 0.000 0.236 741 S C 1.839 176.356 174.600 -0.138 0.000 1.007 741 S CA 1.560 59.722 58.200 -0.063 0.000 0.965 741 S CB -1.269 61.960 63.200 0.048 0.000 0.773 741 S HN 0.471 nan 8.310 nan 0.000 0.504 742 T N 2.517 117.007 114.554 -0.107 0.000 2.915 742 T HA 0.169 4.520 4.350 0.001 0.000 0.269 742 T C 1.607 176.221 174.700 -0.144 0.000 1.071 742 T CA 1.255 63.300 62.100 -0.093 0.000 1.132 742 T CB -0.416 68.422 68.868 -0.050 0.000 0.878 742 T HN 0.472 nan 8.240 nan 0.000 0.479 743 I N 0.629 121.050 120.570 -0.248 0.000 2.163 743 I HA -0.121 4.050 4.170 0.001 0.000 0.240 743 I C 2.450 178.406 176.117 -0.268 0.000 1.081 743 I CA 0.834 61.972 61.300 -0.271 0.000 1.353 743 I CB -0.560 37.205 38.000 -0.391 0.000 1.054 743 I HN 0.057 nan 8.210 nan 0.000 0.407 744 V N 1.375 121.065 119.914 -0.373 0.000 2.332 744 V HA -0.325 3.795 4.120 0.001 0.000 0.248 744 V C 2.759 178.775 176.094 -0.129 0.000 1.055 744 V CA 2.120 64.275 62.300 -0.241 0.000 1.038 744 V CB -1.118 30.569 31.823 -0.227 0.000 0.651 744 V HN 0.518 nan 8.190 nan 0.000 0.450 745 A N -0.275 122.477 122.820 -0.113 0.000 1.972 745 A HA -0.056 4.264 4.320 0.001 0.000 0.219 745 A C 2.356 179.907 177.584 -0.054 0.000 1.169 745 A CA 1.963 53.961 52.037 -0.064 0.000 0.635 745 A CB -0.571 18.399 19.000 -0.051 0.000 0.810 745 A HN 0.584 nan 8.150 nan 0.000 0.446 746 A N -0.775 122.003 122.820 -0.070 0.000 1.930 746 A HA 0.132 4.453 4.320 0.001 0.000 0.215 746 A C 2.156 179.713 177.584 -0.045 0.000 1.176 746 A CA 1.358 53.364 52.037 -0.051 0.000 0.632 746 A CB -0.676 18.290 19.000 -0.057 0.000 0.819 746 A HN 0.314 nan 8.150 nan 0.000 0.445 747 V N 0.157 120.034 119.914 -0.062 0.000 2.343 747 V HA -0.275 3.845 4.120 0.001 0.000 0.247 747 V C 2.511 178.589 176.094 -0.028 0.000 1.051 747 V CA 2.359 64.630 62.300 -0.048 0.000 1.036 747 V CB -0.611 31.176 31.823 -0.059 0.000 0.654 747 V HN 0.769 nan 8.190 nan 0.000 0.451 748 E N 0.009 120.193 120.200 -0.027 0.000 2.051 748 E HA -0.298 4.052 4.350 0.001 0.000 0.192 748 E C 2.207 178.808 176.600 0.002 0.000 0.991 748 E CA 1.540 57.934 56.400 -0.010 0.000 0.799 748 E CB -0.068 29.625 29.700 -0.011 0.000 0.748 748 E HN 0.574 nan 8.360 nan 0.000 0.449 749 E N -0.150 120.049 120.200 -0.002 0.000 2.118 749 E HA -0.141 4.209 4.350 0.001 0.000 0.195 749 E C 1.807 178.421 176.600 0.022 0.000 0.992 749 E CA 1.577 57.983 56.400 0.010 0.000 0.804 749 E CB -0.675 29.026 29.700 0.003 0.000 0.741 749 E HN 0.375 nan 8.360 nan 0.000 0.458 750 G N 0.041 108.848 108.800 0.013 0.000 2.418 750 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 750 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 750 G C 1.644 176.573 174.900 0.048 0.000 1.158 750 G CA 0.767 45.881 45.100 0.023 0.000 0.771 750 G HN 0.209 nan 8.290 nan 0.000 0.545 751 R N 0.382 120.903 120.500 0.035 0.000 2.096 751 R HA 0.055 4.395 4.340 0.001 0.000 0.235 751 R C 2.979 179.328 176.300 0.082 0.000 1.127 751 R CA 1.132 57.267 56.100 0.057 0.000 0.968 751 R CB -0.270 30.049 30.300 0.032 0.000 0.861 751 R HN 0.361 nan 8.270 nan 0.000 0.440 752 A N 1.147 124.001 122.820 0.055 0.000 1.897 752 A HA -0.088 4.232 4.320 0.001 0.000 0.215 752 A C 2.032 179.646 177.584 0.051 0.000 1.181 752 A CA 0.890 52.955 52.037 0.047 0.000 0.620 752 A CB -0.234 18.788 19.000 0.037 0.000 0.821 752 A HN 0.060 nan 8.150 nan 0.000 0.443 753 I N -1.390 119.220 120.570 0.066 0.000 2.179 753 I HA -0.233 3.938 4.170 0.001 0.000 0.242 753 I C 2.399 178.545 176.117 0.048 0.000 1.088 753 I CA 1.600 62.942 61.300 0.070 0.000 1.357 753 I CB -1.548 36.504 38.000 0.085 0.000 1.051 753 I HN 0.523 nan 8.210 nan 0.000 0.409 754 Y N 2.566 122.839 120.300 -0.045 0.000 2.165 754 Y HA -0.264 4.286 4.550 0.001 0.000 0.286 754 Y C 2.490 178.320 175.900 -0.117 0.000 1.155 754 Y CA 1.725 59.774 58.100 -0.085 0.000 1.164 754 Y CB -0.426 37.998 38.460 -0.060 0.000 0.978 754 Y HN 0.234 nan 8.280 nan 0.000 0.513 755 N N 0.583 119.235 118.700 -0.080 0.000 2.069 755 N HA -0.203 4.537 4.740 0.001 0.000 0.191 755 N C 1.383 176.748 175.510 -0.242 0.000 1.031 755 N CA 1.639 54.597 53.050 -0.153 0.000 0.852 755 N CB -0.629 37.838 38.487 -0.033 0.000 1.018 755 N HN 0.423 nan 8.380 nan 0.000 0.423 756 N N 0.684 119.277 118.700 -0.178 0.000 2.142 756 N HA -0.014 4.726 4.740 0.001 0.000 0.186 756 N C 1.809 177.048 175.510 -0.450 0.000 1.023 756 N CA 0.735 53.681 53.050 -0.172 0.000 0.852 756 N CB -0.263 38.208 38.487 -0.027 0.000 0.998 756 N HN 0.324 nan 8.380 nan 0.000 0.424 757 M N 0.686 119.889 119.600 -0.662 0.000 2.108 757 M HA -0.136 4.345 4.480 0.001 0.000 0.261 757 M C 1.901 177.458 176.300 -1.239 0.000 1.066 757 M CA 1.344 55.806 55.300 -1.397 0.000 1.107 757 M CB -0.247 31.886 32.600 -0.778 0.000 1.356 757 M HN 0.083 nan 8.290 nan 0.000 0.406 758 K N -0.101 119.763 120.400 -0.894 0.000 2.074 758 K HA -0.209 4.112 4.320 0.001 0.000 0.209 758 K C 2.120 178.475 176.600 -0.409 0.000 1.048 758 K CA 1.334 57.236 56.287 -0.642 0.000 0.926 758 K CB -0.082 32.096 32.500 -0.536 0.000 0.713 758 K HN 0.345 nan 8.250 nan 0.000 0.444 759 Q N -0.104 119.482 119.800 -0.358 0.000 2.016 759 Q HA -0.136 4.204 4.340 0.001 0.000 0.200 759 Q C 2.034 177.996 176.000 -0.063 0.000 0.978 759 Q CA 1.459 57.166 55.803 -0.159 0.000 0.833 759 Q CB -0.424 28.251 28.738 -0.105 0.000 0.895 759 Q HN 0.479 nan 8.270 nan 0.000 0.427 760 F N -1.090 118.815 119.950 -0.076 0.000 2.502 760 F HA 0.099 4.626 4.527 0.001 0.000 0.298 760 F C 1.811 177.597 175.800 -0.024 0.000 1.111 760 F CA 0.205 58.202 58.000 -0.005 0.000 1.445 760 F CB -0.767 38.197 39.000 -0.059 0.000 1.081 760 F HN -0.077 nan 8.300 nan 0.000 0.558 761 I N 0.619 121.134 120.570 -0.092 0.000 2.277 761 I HA -0.130 4.040 4.170 0.001 0.000 0.243 761 I C 2.573 178.603 176.117 -0.146 0.000 1.094 761 I CA 0.844 62.090 61.300 -0.092 0.000 1.393 761 I CB -0.365 37.478 38.000 -0.261 0.000 1.078 761 I HN 0.019 nan 8.210 nan 0.000 0.417 762 R N -0.269 120.142 120.500 -0.148 0.000 2.115 762 R HA -0.209 4.131 4.340 0.001 0.000 0.230 762 R C 2.338 178.478 176.300 -0.267 0.000 1.111 762 R CA 1.464 57.447 56.100 -0.196 0.000 0.976 762 R CB -0.579 29.716 30.300 -0.007 0.000 0.870 762 R HN 0.348 nan 8.270 nan 0.000 0.445 763 Y N 1.852 122.035 120.300 -0.194 0.000 2.114 763 Y HA -0.184 4.366 4.550 0.001 0.000 0.284 763 Y C 1.947 177.742 175.900 -0.176 0.000 1.143 763 Y CA 1.373 59.376 58.100 -0.161 0.000 1.135 763 Y CB -0.535 37.895 38.460 -0.050 0.000 0.980 763 Y HN -0.094 nan 8.280 nan 0.000 0.499 764 L N -0.335 120.675 121.223 -0.356 0.000 2.017 764 L HA -0.228 4.113 4.340 0.001 0.000 0.208 764 L C 2.550 179.215 176.870 -0.342 0.000 1.073 764 L CA 1.603 56.183 54.840 -0.432 0.000 0.745 764 L CB -0.576 41.361 42.059 -0.203 0.000 0.894 764 L HN 0.267 nan 8.230 nan 0.000 0.432 765 I N -0.938 119.448 120.570 -0.307 0.000 2.394 765 I HA -0.278 3.892 4.170 0.001 0.000 0.251 765 I C 2.816 178.745 176.117 -0.312 0.000 1.136 765 I CA 1.051 62.179 61.300 -0.287 0.000 1.425 765 I CB -0.199 37.568 38.000 -0.389 0.000 1.079 765 I HN 0.257 nan 8.210 nan 0.000 0.425 766 S N 0.829 116.252 115.700 -0.461 0.000 2.356 766 S HA -0.218 4.253 4.470 0.001 0.000 0.223 766 S C 2.333 176.753 174.600 -0.301 0.000 1.032 766 S CA 2.118 60.009 58.200 -0.515 0.000 1.005 766 S CB -0.351 62.413 63.200 -0.727 0.000 0.867 766 S HN 0.605 nan 8.310 nan 0.000 0.449 767 S N 1.286 116.798 115.700 -0.314 0.000 2.399 767 S HA -0.099 4.372 4.470 0.001 0.000 0.231 767 S C 1.580 176.091 174.600 -0.147 0.000 1.022 767 S CA 1.531 59.594 58.200 -0.227 0.000 0.983 767 S CB -1.067 61.948 63.200 -0.309 0.000 0.803 767 S HN 0.718 nan 8.310 nan 0.000 0.480 768 N N 1.217 119.833 118.700 -0.141 0.000 2.244 768 N HA 0.012 4.752 4.740 0.001 0.000 0.183 768 N C 1.578 177.058 175.510 -0.051 0.000 1.016 768 N CA 1.148 54.158 53.050 -0.067 0.000 0.866 768 N CB -0.401 38.075 38.487 -0.018 0.000 0.980 768 N HN 0.241 nan 8.380 nan 0.000 0.430 769 V N 0.416 120.282 119.914 -0.079 0.000 2.295 769 V HA -0.171 3.950 4.120 0.001 0.000 0.246 769 V C 2.357 178.421 176.094 -0.049 0.000 1.049 769 V CA 2.131 64.388 62.300 -0.071 0.000 1.024 769 V CB -1.179 30.576 31.823 -0.115 0.000 0.648 769 V HN 0.449 nan 8.190 nan 0.000 0.447 770 G N -0.733 108.036 108.800 -0.051 0.000 2.422 770 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 770 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 770 G C 1.456 176.353 174.900 -0.004 0.000 1.146 770 G CA 0.791 45.880 45.100 -0.019 0.000 0.769 770 G HN 0.577 nan 8.290 nan 0.000 0.547 771 E N -0.108 120.084 120.200 -0.013 0.000 2.106 771 E HA -0.067 4.284 4.350 0.001 0.000 0.192 771 E C 2.668 179.280 176.600 0.019 0.000 0.984 771 E CA 0.789 57.191 56.400 0.003 0.000 0.806 771 E CB -0.063 29.635 29.700 -0.004 0.000 0.750 771 E HN 0.310 nan 8.360 nan 0.000 0.458 772 V N 0.805 120.727 119.914 0.013 0.000 2.515 772 V HA -0.192 3.929 4.120 0.001 0.000 0.250 772 V C 2.234 178.372 176.094 0.074 0.000 1.058 772 V CA 1.071 63.388 62.300 0.028 0.000 1.064 772 V CB -0.137 31.684 31.823 -0.004 0.000 0.675 772 V HN 0.132 nan 8.190 nan 0.000 0.461 773 V N -0.835 119.116 119.914 0.062 0.000 2.358 773 V HA -0.287 3.834 4.120 0.001 0.000 0.246 773 V C 2.562 178.734 176.094 0.131 0.000 1.047 773 V CA 2.111 64.481 62.300 0.116 0.000 1.035 773 V CB -0.635 31.228 31.823 0.067 0.000 0.658 773 V HN 0.780 nan 8.190 nan 0.000 0.452 774 C N 0.513 119.855 119.300 0.070 0.000 2.413 774 C HA -0.167 4.293 4.460 0.001 0.000 0.276 774 C C 2.577 177.599 174.990 0.053 0.000 1.236 774 C CA 0.981 60.029 59.018 0.049 0.000 1.735 774 C CB -1.014 26.744 27.740 0.030 0.000 2.031 774 C HN 0.524 nan 8.230 nan 0.000 0.474 775 I N 0.399 121.006 120.570 0.062 0.000 2.493 775 I HA -0.058 4.112 4.170 0.001 0.000 0.254 775 I C 2.239 178.399 176.117 0.072 0.000 1.160 775 I CA 1.498 62.825 61.300 0.045 0.000 1.445 775 I CB -1.709 36.314 38.000 0.039 0.000 1.086 775 I HN 0.400 nan 8.210 nan 0.000 0.433 776 F N 1.681 121.618 119.950 -0.020 0.000 2.149 776 F HA -0.044 4.483 4.527 0.001 0.000 0.294 776 F C 2.322 178.120 175.800 -0.003 0.000 1.095 776 F CA 1.273 59.264 58.000 -0.015 0.000 1.276 776 F CB -0.391 38.606 39.000 -0.005 0.000 1.023 776 F HN -0.133 nan 8.300 nan 0.000 0.480 777 L N -0.455 120.723 121.223 -0.076 0.000 2.042 777 L HA -0.246 4.094 4.340 0.001 0.000 0.210 777 L C 2.585 179.363 176.870 -0.154 0.000 1.076 777 L CA 1.976 56.723 54.840 -0.155 0.000 0.749 777 L CB -1.117 40.937 42.059 -0.009 0.000 0.893 777 L HN 0.269 nan 8.230 nan 0.000 0.432 778 T N -0.761 113.746 114.554 -0.078 0.000 2.777 778 T HA -0.093 4.257 4.350 0.001 0.000 0.266 778 T C 1.734 176.408 174.700 -0.044 0.000 1.040 778 T CA 1.302 63.383 62.100 -0.032 0.000 1.141 778 T CB 0.041 68.914 68.868 0.009 0.000 0.868 778 T HN 0.407 nan 8.240 nan 0.000 0.444 779 A N 0.050 122.796 122.820 -0.123 0.000 2.119 779 A HA 0.557 4.877 4.320 0.001 0.000 0.216 779 A C 2.392 179.861 177.584 -0.191 0.000 1.152 779 A CA 1.291 53.247 52.037 -0.135 0.000 0.708 779 A CB -0.596 18.281 19.000 -0.204 0.000 0.805 779 A HN 0.599 nan 8.150 nan 0.000 0.460 780 A N -0.878 121.730 122.820 -0.354 0.000 2.095 780 A HA 0.369 4.689 4.320 0.001 0.000 0.212 780 A C 1.656 179.126 177.584 -0.190 0.000 1.162 780 A CA 0.493 52.304 52.037 -0.378 0.000 0.753 780 A CB -0.172 18.370 19.000 -0.763 0.000 0.840 780 A HN 0.395 nan 8.150 nan 0.000 0.468 781 L N -1.042 120.099 121.223 -0.136 0.000 2.640 781 L HA 0.236 4.576 4.340 0.001 0.000 0.230 781 L C 1.457 178.311 176.870 -0.026 0.000 1.123 781 L CA 0.421 55.221 54.840 -0.067 0.000 0.900 781 L CB 0.046 42.078 42.059 -0.046 0.000 1.146 781 L HN 0.501 nan 8.230 nan 0.000 0.484 782 G N 1.401 110.199 108.800 -0.004 0.000 2.283 782 G HA2 -0.284 3.676 3.960 0.001 0.000 0.280 782 G HA3 -0.284 3.676 3.960 0.001 0.000 0.280 782 G C 0.138 175.049 174.900 0.017 0.000 1.029 782 G CA 0.213 45.319 45.100 0.009 0.000 0.840 782 G HN 0.265 nan 8.290 nan 0.000 0.505 783 L N -0.437 120.827 121.223 0.067 0.000 2.416 783 L HA 0.483 4.824 4.340 0.001 0.000 0.262 783 L C -1.771 175.179 176.870 0.133 0.000 1.093 783 L CA -2.430 52.446 54.840 0.059 0.000 0.801 783 L CB 0.983 43.069 42.059 0.043 0.000 1.191 783 L HN -0.114 nan 8.230 nan 0.000 0.459 784 P HA 0.070 nan 4.420 nan 0.000 0.276 784 P C -0.964 176.434 177.300 0.163 0.000 1.230 784 P CA -0.394 62.795 63.100 0.148 0.000 0.776 784 P CB 0.401 32.125 31.700 0.039 0.000 0.888 785 E N 1.569 121.867 120.200 0.164 0.000 2.765 785 E HA -0.076 4.275 4.350 0.001 0.000 0.256 785 E C 0.837 177.499 176.600 0.103 0.000 0.935 785 E CA 0.161 56.617 56.400 0.094 0.000 0.954 785 E CB 0.382 30.116 29.700 0.055 0.000 0.908 785 E HN 0.455 nan 8.360 nan 0.000 0.500 786 A N 4.923 127.791 122.820 0.079 0.000 1.943 786 A HA 0.108 4.428 4.320 0.001 0.000 0.213 786 A C 0.669 178.278 177.584 0.040 0.000 1.181 786 A CA 0.524 52.605 52.037 0.072 0.000 0.653 786 A CB 0.416 19.456 19.000 0.067 0.000 0.833 786 A HN 0.493 nan 8.150 nan 0.000 0.451 787 L N 0.953 122.199 121.223 0.038 0.000 2.410 787 L HA 0.535 4.875 4.340 0.001 0.000 0.270 787 L C -0.794 176.102 176.870 0.044 0.000 0.983 787 L CA -0.751 54.112 54.840 0.038 0.000 0.822 787 L CB 2.093 44.174 42.059 0.038 0.000 1.285 787 L HN 0.451 nan 8.230 nan 0.000 0.409 788 I N -0.350 120.254 120.570 0.057 0.000 2.607 788 I HA 0.522 4.692 4.170 0.001 0.000 0.305 788 I C -2.037 174.133 176.117 0.088 0.000 0.995 788 I CA -2.263 59.074 61.300 0.063 0.000 1.148 788 I CB 1.649 39.685 38.000 0.060 0.000 1.323 788 I HN 0.296 nan 8.210 nan 0.000 0.461 789 P HA -0.256 nan 4.420 nan 0.000 0.221 789 P C 1.770 179.152 177.300 0.137 0.000 1.160 789 P CA 1.613 64.772 63.100 0.097 0.000 0.933 789 P CB -0.005 31.749 31.700 0.090 0.000 0.793 790 V N -0.954 119.049 119.914 0.149 0.000 2.469 790 V HA -0.293 3.827 4.120 0.001 0.000 0.251 790 V C 2.429 178.751 176.094 0.379 0.000 1.064 790 V CA 1.952 64.380 62.300 0.214 0.000 1.066 790 V CB -1.238 30.651 31.823 0.110 0.000 0.667 790 V HN 0.248 nan 8.190 nan 0.000 0.461 791 Q N -0.438 119.547 119.800 0.307 0.000 2.020 791 Q HA -0.076 4.265 4.340 0.001 0.000 0.198 791 Q C 2.350 178.491 176.000 0.236 0.000 0.974 791 Q CA 1.332 57.303 55.803 0.280 0.000 0.829 791 Q CB -0.277 28.558 28.738 0.162 0.000 0.894 791 Q HN 0.494 nan 8.270 nan 0.000 0.433 792 L N 0.681 122.003 121.223 0.165 0.000 2.013 792 L HA -0.255 4.085 4.340 0.001 0.000 0.212 792 L C 2.402 179.352 176.870 0.133 0.000 1.073 792 L CA 1.153 56.064 54.840 0.119 0.000 0.753 792 L CB -0.527 41.581 42.059 0.082 0.000 0.890 792 L HN 0.272 nan 8.230 nan 0.000 0.432 793 L N -1.268 120.057 121.223 0.170 0.000 2.083 793 L HA -0.276 4.065 4.340 0.001 0.000 0.209 793 L C 2.481 179.466 176.870 0.193 0.000 1.083 793 L CA 1.417 56.352 54.840 0.159 0.000 0.752 793 L CB -0.597 41.566 42.059 0.173 0.000 0.899 793 L HN 0.570 nan 8.230 nan 0.000 0.433 794 W N 0.159 121.525 121.300 0.109 0.000 2.388 794 W HA -0.147 4.513 4.660 0.001 0.000 0.294 794 W C 2.006 178.529 176.519 0.007 0.000 1.212 794 W CA 1.348 58.734 57.345 0.069 0.000 1.271 794 W CB -0.082 29.375 29.460 -0.005 0.000 1.126 794 W HN -0.063 nan 8.180 nan 0.000 0.535 795 V N 2.018 122.020 119.914 0.146 0.000 2.358 795 V HA -0.310 3.811 4.120 0.001 0.000 0.246 795 V C 2.002 178.051 176.094 -0.075 0.000 1.047 795 V CA 2.120 64.437 62.300 0.028 0.000 1.035 795 V CB -0.844 31.022 31.823 0.072 0.000 0.658 795 V HN 0.116 nan 8.190 nan 0.000 0.452 796 N N -0.310 118.359 118.700 -0.053 0.000 2.409 796 N HA -0.005 4.735 4.740 0.001 0.000 0.179 796 N C 1.333 176.774 175.510 -0.114 0.000 1.032 796 N CA 0.846 53.846 53.050 -0.084 0.000 0.898 796 N CB 0.064 38.523 38.487 -0.047 0.000 0.971 796 N HN 0.311 nan 8.380 nan 0.000 0.441 797 L N -0.846 120.293 121.223 -0.139 0.000 2.362 797 L HA 0.171 4.511 4.340 0.001 0.000 0.204 797 L C 1.888 178.598 176.870 -0.267 0.000 1.060 797 L CA 0.561 55.299 54.840 -0.170 0.000 0.827 797 L CB -0.408 41.572 42.059 -0.133 0.000 1.027 797 L HN -0.137 nan 8.230 nan 0.000 0.474 798 V N -1.855 117.795 119.914 -0.440 0.000 2.785 798 V HA -0.045 4.076 4.120 0.001 0.000 0.226 798 V C 2.222 178.074 176.094 -0.404 0.000 1.127 798 V CA 1.430 63.382 62.300 -0.581 0.000 1.193 798 V CB -0.768 30.289 31.823 -1.277 0.000 0.926 798 V HN 0.278 nan 8.190 nan 0.000 0.507 799 T N 0.809 115.101 114.554 -0.436 0.000 2.620 799 T HA -0.279 4.071 4.350 0.001 0.000 0.267 799 T C 1.463 176.125 174.700 -0.063 0.000 1.044 799 T CA 2.421 64.436 62.100 -0.143 0.000 1.161 799 T CB -0.414 68.446 68.868 -0.015 0.000 0.862 799 T HN 0.438 nan 8.240 nan 0.000 0.438 800 D N 0.078 120.432 120.400 -0.075 0.000 2.305 800 D HA 0.159 4.799 4.640 0.001 0.000 0.206 800 D C 2.258 178.556 176.300 -0.005 0.000 0.974 800 D CA 0.632 54.629 54.000 -0.005 0.000 0.871 800 D CB -0.668 40.057 40.800 -0.125 0.000 0.947 800 D HN 0.461 nan 8.370 nan 0.000 0.516 801 G N 0.797 109.535 108.800 -0.104 0.000 2.422 801 G HA2 -0.170 3.790 3.960 0.001 0.000 0.218 801 G HA3 -0.170 3.790 3.960 0.001 0.000 0.218 801 G C 1.464 176.285 174.900 -0.132 0.000 1.140 801 G CA 0.257 45.275 45.100 -0.136 0.000 0.775 801 G HN 0.154 nan 8.290 nan 0.000 0.545 802 L N 1.193 122.357 121.223 -0.098 0.000 2.005 802 L HA 0.018 4.359 4.340 0.001 0.000 0.207 802 L C 0.264 177.090 176.870 -0.074 0.000 1.072 802 L CA 1.707 56.501 54.840 -0.077 0.000 0.744 802 L CB -2.006 40.031 42.059 -0.036 0.000 0.895 802 L HN 0.135 nan 8.230 nan 0.000 0.433 803 P HA -0.077 nan 4.420 nan 0.000 0.217 803 P C 1.685 178.902 177.300 -0.138 0.000 1.150 803 P CA 1.673 64.730 63.100 -0.072 0.000 0.832 803 P CB 0.037 31.712 31.700 -0.042 0.000 0.787 804 A N -0.647 122.162 122.820 -0.020 0.000 1.865 804 A HA -0.229 4.092 4.320 0.001 0.000 0.217 804 A C 2.287 179.627 177.584 -0.408 0.000 1.191 804 A CA 2.720 54.721 52.037 -0.060 0.000 0.623 804 A CB -1.990 16.981 19.000 -0.048 0.000 0.826 804 A HN 0.144 nan 8.150 nan 0.000 0.444 805 T N 0.313 114.580 114.554 -0.478 0.000 2.684 805 T HA -0.095 4.256 4.350 0.001 0.000 0.267 805 T C 2.187 176.395 174.700 -0.820 0.000 1.036 805 T CA 1.851 63.562 62.100 -0.650 0.000 1.148 805 T CB -0.534 68.067 68.868 -0.443 0.000 0.863 805 T HN 0.641 nan 8.240 nan 0.000 0.436 806 A N 1.168 123.670 122.820 -0.531 0.000 1.940 806 A HA -0.006 4.314 4.320 0.001 0.000 0.219 806 A C 2.275 179.623 177.584 -0.394 0.000 1.176 806 A CA 1.201 52.968 52.037 -0.450 0.000 0.631 806 A CB -0.890 18.086 19.000 -0.039 0.000 0.814 806 A HN 0.505 nan 8.150 nan 0.000 0.446 807 L N -0.562 120.507 121.223 -0.256 0.000 2.261 807 L HA -0.159 4.182 4.340 0.001 0.000 0.216 807 L C 2.573 179.410 176.870 -0.054 0.000 1.114 807 L CA 0.801 55.580 54.840 -0.102 0.000 0.777 807 L CB -0.588 41.458 42.059 -0.023 0.000 0.910 807 L HN 0.515 nan 8.230 nan 0.000 0.440 808 G N -0.803 107.872 108.800 -0.209 0.000 2.625 808 G HA2 -0.201 3.759 3.960 0.001 0.000 0.214 808 G HA3 -0.201 3.759 3.960 0.001 0.000 0.214 808 G C 0.842 175.699 174.900 -0.071 0.000 1.132 808 G CA 0.076 45.115 45.100 -0.101 0.000 0.782 808 G HN 0.289 nan 8.290 nan 0.000 0.538 809 F N 0.517 120.426 119.950 -0.068 0.000 2.639 809 F HA 0.350 4.878 4.527 0.001 0.000 0.302 809 F C 0.462 176.252 175.800 -0.016 0.000 1.097 809 F CA -1.998 55.928 58.000 -0.124 0.000 1.294 809 F CB -0.775 38.014 39.000 -0.351 0.000 1.027 809 F HN -0.130 nan 8.300 nan 0.000 0.550 810 N N 3.976 122.755 118.700 0.132 0.000 2.412 810 N HA 0.031 4.771 4.740 0.001 0.000 0.254 810 N C -2.346 173.218 175.510 0.090 0.000 1.232 810 N CA -1.109 51.996 53.050 0.092 0.000 0.880 810 N CB 0.161 38.667 38.487 0.032 0.000 1.076 810 N HN 0.021 nan 8.380 nan 0.000 0.458 811 P HA 0.086 nan 4.420 nan 0.000 0.266 811 P C -2.446 174.881 177.300 0.046 0.000 1.195 811 P CA -0.752 62.390 63.100 0.071 0.000 0.768 811 P CB -0.074 31.668 31.700 0.070 0.000 0.838 812 P HA 0.187 nan 4.420 nan 0.000 0.277 812 P C -0.462 176.852 177.300 0.023 0.000 1.240 812 P CA -0.135 62.982 63.100 0.029 0.000 0.798 812 P CB 0.694 32.413 31.700 0.030 0.000 0.979 813 D N 1.197 121.607 120.400 0.017 0.000 2.399 813 D HA 0.056 4.696 4.640 0.001 0.000 0.241 813 D C 1.558 177.866 176.300 0.014 0.000 1.133 813 D CA -0.125 53.883 54.000 0.013 0.000 0.890 813 D CB 0.723 41.529 40.800 0.009 0.000 1.201 813 D HN 0.291 nan 8.370 nan 0.000 0.432 814 L N 0.934 122.164 121.223 0.012 0.000 2.376 814 L HA -0.099 4.241 4.340 0.001 0.000 0.219 814 L C 1.323 178.199 176.870 0.010 0.000 1.133 814 L CA 0.797 55.645 54.840 0.012 0.000 0.816 814 L CB -0.258 41.808 42.059 0.011 0.000 0.933 814 L HN 0.386 nan 8.230 nan 0.000 0.449 815 D N -0.730 119.676 120.400 0.009 0.000 2.587 815 D HA -0.006 4.634 4.640 0.001 0.000 0.233 815 D C 1.675 177.981 176.300 0.010 0.000 1.213 815 D CA -0.170 53.835 54.000 0.008 0.000 0.827 815 D CB 0.180 40.983 40.800 0.005 0.000 1.006 815 D HN 0.062 nan 8.370 nan 0.000 0.490 816 I N 0.529 121.106 120.570 0.012 0.000 2.118 816 I HA -0.221 3.949 4.170 0.001 0.000 0.241 816 I C 1.863 177.987 176.117 0.013 0.000 1.070 816 I CA 1.149 62.458 61.300 0.015 0.000 1.327 816 I CB -0.360 37.650 38.000 0.017 0.000 1.034 816 I HN 0.168 nan 8.210 nan 0.000 0.405 817 M N -0.426 119.180 119.600 0.010 0.000 2.563 817 M HA -0.004 4.476 4.480 0.001 0.000 0.231 817 M C 0.537 176.842 176.300 0.009 0.000 1.136 817 M CA 0.701 56.006 55.300 0.008 0.000 1.026 817 M CB -1.201 31.402 32.600 0.007 0.000 1.597 817 M HN 0.091 nan 8.290 nan 0.000 0.495 818 D N 0.163 120.569 120.400 0.009 0.000 2.363 818 D HA 0.125 4.765 4.640 0.001 0.000 0.214 818 D C 0.181 176.485 176.300 0.008 0.000 1.093 818 D CA 0.191 54.196 54.000 0.008 0.000 0.837 818 D CB 0.656 41.460 40.800 0.006 0.000 0.948 818 D HN 0.201 nan 8.370 nan 0.000 0.507 819 R N 1.095 121.600 120.500 0.009 0.000 2.732 819 R HA 0.430 4.770 4.340 0.001 0.000 0.278 819 R C -2.412 173.894 176.300 0.009 0.000 0.976 819 R CA -1.862 54.243 56.100 0.009 0.000 0.963 819 R CB 1.284 31.591 30.300 0.012 0.000 1.150 819 R HN -0.031 nan 8.270 nan 0.000 0.478 820 P HA 0.126 nan 4.420 nan 0.000 0.273 820 P C -2.536 174.767 177.300 0.006 0.000 1.250 820 P CA -1.361 61.744 63.100 0.008 0.000 0.793 820 P CB -0.308 31.396 31.700 0.008 0.000 1.011 821 P HA 0.106 nan 4.420 nan 0.000 0.268 821 P C 0.208 177.504 177.300 -0.006 0.000 1.204 821 P CA 0.197 63.294 63.100 -0.005 0.000 0.768 821 P CB 0.227 31.924 31.700 -0.004 0.000 0.842 822 R N 2.904 123.394 120.500 -0.016 0.000 2.489 822 R HA 0.142 4.482 4.340 0.001 0.000 0.287 822 R C 0.088 176.371 176.300 -0.027 0.000 1.053 822 R CA -0.012 56.079 56.100 -0.014 0.000 1.036 822 R CB 0.262 30.548 30.300 -0.022 0.000 0.966 822 R HN 0.447 nan 8.270 nan 0.000 0.432 823 S N 5.030 120.726 115.700 -0.007 0.000 2.516 823 S HA 0.123 4.593 4.470 0.001 0.000 0.282 823 S C -1.602 172.987 174.600 -0.019 0.000 1.286 823 S CA -1.390 56.807 58.200 -0.005 0.000 1.066 823 S CB 1.086 64.294 63.200 0.012 0.000 0.884 823 S HN 0.557 nan 8.310 nan 0.000 0.491 824 P HA -0.116 nan 4.420 nan 0.000 0.216 824 P C 0.997 178.290 177.300 -0.012 0.000 1.153 824 P CA 1.191 64.268 63.100 -0.039 0.000 0.858 824 P CB 0.127 31.812 31.700 -0.025 0.000 0.789 825 K N -0.039 120.365 120.400 0.008 0.000 2.515 825 K HA -0.089 4.231 4.320 0.001 0.000 0.196 825 K C 0.714 177.335 176.600 0.036 0.000 1.038 825 K CA 0.262 56.563 56.287 0.023 0.000 0.967 825 K CB -0.741 31.775 32.500 0.026 0.000 0.780 825 K HN 0.408 nan 8.250 nan 0.000 0.483 826 E N 3.535 123.756 120.200 0.035 0.000 2.463 826 E HA -0.018 4.333 4.350 0.001 0.000 0.248 826 E C -2.034 174.612 176.600 0.078 0.000 1.106 826 E CA -1.410 55.023 56.400 0.056 0.000 0.946 826 E CB 0.400 30.137 29.700 0.060 0.000 0.971 826 E HN 0.005 nan 8.360 nan 0.000 0.478 827 P HA -0.044 nan 4.420 nan 0.000 0.272 827 P C 0.230 177.587 177.300 0.096 0.000 1.223 827 P CA -0.017 63.136 63.100 0.090 0.000 0.784 827 P CB 0.932 32.689 31.700 0.095 0.000 0.923 828 L N 1.162 122.435 121.223 0.084 0.000 2.270 828 L HA 0.150 4.490 4.340 0.001 0.000 0.210 828 L C 1.135 178.053 176.870 0.080 0.000 1.104 828 L CA 1.275 56.148 54.840 0.055 0.000 0.804 828 L CB -0.309 41.744 42.059 -0.010 0.000 0.937 828 L HN 0.341 nan 8.230 nan 0.000 0.450 829 I N -0.743 119.898 120.570 0.119 0.000 2.548 829 I HA 0.409 4.579 4.170 0.001 0.000 0.287 829 I C -0.607 175.661 176.117 0.250 0.000 1.103 829 I CA -0.237 61.174 61.300 0.184 0.000 1.049 829 I CB 1.886 40.003 38.000 0.196 0.000 1.232 829 I HN 0.031 nan 8.210 nan 0.000 0.429 830 S N 3.309 119.159 115.700 0.249 0.000 2.683 830 S HA 0.854 5.324 4.470 0.001 0.000 0.269 830 S C 0.110 174.841 174.600 0.219 0.000 1.165 830 S CA -0.259 58.087 58.200 0.243 0.000 0.840 830 S CB 1.111 64.395 63.200 0.141 0.000 1.169 830 S HN 1.356 nan 8.310 nan 0.000 0.490 831 G N 1.403 110.292 108.800 0.148 0.000 2.652 831 G HA2 -0.379 3.581 3.960 0.001 0.000 0.318 831 G HA3 -0.379 3.581 3.960 0.001 0.000 0.318 831 G C 0.848 175.912 174.900 0.275 0.000 1.295 831 G CA 0.770 45.973 45.100 0.172 0.000 0.999 831 G HN 1.424 nan 8.290 nan 0.000 0.548 832 W N -0.072 121.289 121.300 0.102 0.000 2.392 832 W HA -0.001 4.660 4.660 0.001 0.000 0.279 832 W C 2.274 178.876 176.519 0.137 0.000 1.225 832 W CA 1.824 59.247 57.345 0.131 0.000 1.233 832 W CB -0.203 29.300 29.460 0.073 0.000 1.122 832 W HN 0.408 nan 8.180 nan 0.000 0.561 833 L N 0.626 121.915 121.223 0.109 0.000 2.093 833 L HA -0.134 4.206 4.340 0.001 0.000 0.208 833 L C 2.361 179.130 176.870 -0.169 0.000 1.085 833 L CA 1.819 56.572 54.840 -0.144 0.000 0.755 833 L CB -1.618 40.417 42.059 -0.041 0.000 0.904 833 L HN -0.042 nan 8.230 nan 0.000 0.435 834 F N -0.916 119.003 119.950 -0.052 0.000 2.171 834 F HA -0.279 4.248 4.527 0.001 0.000 0.300 834 F C 2.234 178.019 175.800 -0.025 0.000 1.090 834 F CA 1.635 59.649 58.000 0.024 0.000 1.293 834 F CB -0.497 38.548 39.000 0.076 0.000 1.013 834 F HN 0.212 nan 8.300 nan 0.000 0.486 835 F N 1.092 121.072 119.950 0.050 0.000 2.146 835 F HA -0.057 4.470 4.527 0.001 0.000 0.298 835 F C 2.463 178.053 175.800 -0.350 0.000 1.096 835 F CA 1.581 59.499 58.000 -0.137 0.000 1.275 835 F CB -0.650 38.152 39.000 -0.330 0.000 1.008 835 F HN -0.207 nan 8.300 nan 0.000 0.480 836 R N -1.019 119.103 120.500 -0.629 0.000 2.096 836 R HA -0.227 4.113 4.340 0.001 0.000 0.240 836 R C 1.987 178.012 176.300 -0.458 0.000 1.139 836 R CA 2.009 57.703 56.100 -0.677 0.000 0.952 836 R CB -0.802 29.088 30.300 -0.683 0.000 0.854 836 R HN 0.324 nan 8.270 nan 0.000 0.436 837 Y N -0.677 119.432 120.300 -0.319 0.000 2.583 837 Y HA -0.014 4.537 4.550 0.001 0.000 0.293 837 Y C 1.889 177.594 175.900 -0.326 0.000 1.157 837 Y CA 0.401 58.334 58.100 -0.279 0.000 1.315 837 Y CB -0.127 38.180 38.460 -0.255 0.000 1.021 837 Y HN 0.036 nan 8.280 nan 0.000 0.536 838 M N -0.540 118.894 119.600 -0.276 0.000 2.287 838 M HA 0.108 4.588 4.480 0.001 0.000 0.266 838 M C 2.194 178.316 176.300 -0.297 0.000 1.079 838 M CA 1.317 56.450 55.300 -0.279 0.000 1.146 838 M CB -0.235 32.227 32.600 -0.230 0.000 1.374 838 M HN 0.099 nan 8.290 nan 0.000 0.435 839 A N 0.051 122.585 122.820 -0.477 0.000 1.898 839 A HA -0.004 4.316 4.320 0.001 0.000 0.214 839 A C 1.892 179.390 177.584 -0.143 0.000 1.183 839 A CA 1.115 52.921 52.037 -0.386 0.000 0.622 839 A CB -0.703 17.943 19.000 -0.589 0.000 0.824 839 A HN 0.437 nan 8.150 nan 0.000 0.444 840 I N 0.368 120.869 120.570 -0.115 0.000 2.286 840 I HA -0.164 4.006 4.170 0.001 0.000 0.248 840 I C 2.635 178.785 176.117 0.056 0.000 1.115 840 I CA 1.468 62.769 61.300 0.002 0.000 1.392 840 I CB -2.039 35.991 38.000 0.050 0.000 1.065 840 I HN 0.333 nan 8.210 nan 0.000 0.418 841 G N 0.899 109.696 108.800 -0.005 0.000 2.421 841 G HA2 -0.178 3.782 3.960 0.001 0.000 0.216 841 G HA3 -0.178 3.782 3.960 0.001 0.000 0.216 841 G C 1.766 176.675 174.900 0.015 0.000 1.171 841 G CA 0.849 45.943 45.100 -0.011 0.000 0.775 841 G HN 0.467 nan 8.290 nan 0.000 0.543 842 G N -0.391 108.412 108.800 0.005 0.000 2.422 842 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 842 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 842 G C 1.602 176.525 174.900 0.038 0.000 1.146 842 G CA 1.087 46.200 45.100 0.021 0.000 0.769 842 G HN 0.440 nan 8.290 nan 0.000 0.547 843 Y N 1.039 121.317 120.300 -0.037 0.000 2.089 843 Y HA -0.127 4.423 4.550 0.001 0.000 0.282 843 Y C 2.918 178.810 175.900 -0.013 0.000 1.139 843 Y CA 1.749 59.835 58.100 -0.024 0.000 1.123 843 Y CB -0.358 38.083 38.460 -0.031 0.000 0.980 843 Y HN 0.028 nan 8.280 nan 0.000 0.493 844 V N 0.165 120.171 119.914 0.153 0.000 2.392 844 V HA -0.318 3.802 4.120 0.001 0.000 0.249 844 V C 2.555 178.639 176.094 -0.017 0.000 1.059 844 V CA 1.975 64.318 62.300 0.071 0.000 1.051 844 V CB -1.588 30.282 31.823 0.077 0.000 0.658 844 V HN 0.672 nan 8.190 nan 0.000 0.455 845 G N -0.531 108.264 108.800 -0.008 0.000 2.421 845 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 845 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 845 G C 1.720 176.600 174.900 -0.033 0.000 1.171 845 G CA 1.015 46.114 45.100 -0.002 0.000 0.775 845 G HN 0.624 nan 8.290 nan 0.000 0.543 846 A N 0.812 123.582 122.820 -0.083 0.000 1.968 846 A HA 0.455 4.776 4.320 0.001 0.000 0.217 846 A C 2.737 180.226 177.584 -0.157 0.000 1.169 846 A CA 1.816 53.787 52.037 -0.110 0.000 0.638 846 A CB -0.523 18.395 19.000 -0.137 0.000 0.812 846 A HN 0.677 nan 8.150 nan 0.000 0.446 847 A N 0.005 122.677 122.820 -0.247 0.000 1.898 847 A HA -0.073 4.248 4.320 0.001 0.000 0.216 847 A C 2.440 179.966 177.584 -0.097 0.000 1.181 847 A CA 2.419 54.317 52.037 -0.232 0.000 0.620 847 A CB -1.236 17.590 19.000 -0.289 0.000 0.819 847 A HN 0.656 nan 8.150 nan 0.000 0.442 848 T N -2.569 111.952 114.554 -0.056 0.000 2.770 848 T HA -0.076 4.275 4.350 0.001 0.000 0.263 848 T C 1.719 176.426 174.700 0.012 0.000 1.039 848 T CA 1.387 63.478 62.100 -0.015 0.000 1.142 848 T CB -0.893 67.974 68.868 -0.001 0.000 0.868 848 T HN 0.044 nan 8.240 nan 0.000 0.435 849 V N 2.159 122.081 119.914 0.013 0.000 2.392 849 V HA -0.033 4.087 4.120 0.001 0.000 0.249 849 V C 3.049 179.182 176.094 0.066 0.000 1.059 849 V CA 1.891 64.216 62.300 0.042 0.000 1.051 849 V CB -1.532 30.307 31.823 0.026 0.000 0.658 849 V HN 0.708 nan 8.190 nan 0.000 0.455 850 G N -0.336 108.482 108.800 0.029 0.000 2.433 850 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 850 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 850 G C 1.817 176.790 174.900 0.121 0.000 1.186 850 G CA 1.038 46.168 45.100 0.050 0.000 0.779 850 G HN 0.602 nan 8.290 nan 0.000 0.543 851 A N 1.150 124.012 122.820 0.069 0.000 1.917 851 A HA 0.099 4.419 4.320 0.001 0.000 0.219 851 A C 2.797 180.536 177.584 0.259 0.000 1.182 851 A CA 2.687 54.794 52.037 0.117 0.000 0.633 851 A CB -0.814 18.194 19.000 0.014 0.000 0.819 851 A HN 0.878 nan 8.150 nan 0.000 0.448 852 A N -0.481 122.450 122.820 0.185 0.000 1.872 852 A HA 0.253 4.573 4.320 0.001 0.000 0.214 852 A C 2.507 180.302 177.584 0.353 0.000 1.187 852 A CA 1.872 54.030 52.037 0.201 0.000 0.614 852 A CB -1.016 18.085 19.000 0.167 0.000 0.826 852 A HN 1.122 nan 8.150 nan 0.000 0.442 853 A N -1.528 121.496 122.820 0.340 0.000 1.972 853 A HA -0.154 4.167 4.320 0.001 0.000 0.219 853 A C 1.925 179.721 177.584 0.355 0.000 1.169 853 A CA 1.546 53.795 52.037 0.354 0.000 0.635 853 A CB -0.852 18.284 19.000 0.226 0.000 0.810 853 A HN 0.872 nan 8.150 nan 0.000 0.446 854 W N -0.684 120.715 121.300 0.165 0.000 2.355 854 W HA -0.196 4.464 4.660 0.001 0.000 0.309 854 W C 2.005 178.609 176.519 0.141 0.000 1.206 854 W CA 1.810 59.244 57.345 0.149 0.000 1.284 854 W CB -0.693 28.813 29.460 0.077 0.000 1.145 854 W HN 0.474 nan 8.180 nan 0.000 0.502 855 W N 0.015 121.240 121.300 -0.125 0.000 2.358 855 W HA -0.209 4.451 4.660 0.001 0.000 0.303 855 W C 1.864 178.114 176.519 -0.448 0.000 1.208 855 W CA 2.133 59.187 57.345 -0.485 0.000 1.274 855 W CB -0.969 28.269 29.460 -0.370 0.000 1.138 855 W HN -0.151 nan 8.180 nan 0.000 0.515 856 F N -0.194 119.740 119.950 -0.027 0.000 2.722 856 F HA -0.062 4.465 4.527 0.000 0.000 0.298 856 F C 1.755 177.325 175.800 -0.382 0.000 1.175 856 F CA 1.162 59.023 58.000 -0.232 0.000 1.462 856 F CB -0.405 38.520 39.000 -0.125 0.000 1.111 856 F HN -0.055 nan 8.300 nan 0.000 0.592 857 M N -3.186 116.273 119.600 -0.235 0.000 2.697 857 M HA 0.110 4.590 4.480 0.001 0.000 0.167 857 M C 0.395 176.387 176.300 -0.514 0.000 2.110 857 M CA -0.022 55.073 55.300 -0.343 0.000 1.360 857 M CB -0.264 32.205 32.600 -0.219 0.000 1.312 857 M HN -0.314 nan 8.290 nan 0.000 0.624 858 Y N 1.469 121.521 120.300 -0.413 0.000 2.497 858 Y HA 0.407 4.958 4.550 0.001 0.000 0.345 858 Y C 0.544 176.031 175.900 -0.689 0.000 1.204 858 Y CA -0.358 57.504 58.100 -0.397 0.000 1.265 858 Y CB -1.395 36.983 38.460 -0.137 0.000 1.121 858 Y HN 0.154 nan 8.280 nan 0.000 0.493 859 A N -0.395 121.922 122.820 -0.837 0.000 2.331 859 A HA 0.518 4.839 4.320 0.001 0.000 0.320 859 A C 0.668 177.861 177.584 -0.651 0.000 1.138 859 A CA -0.799 50.632 52.037 -1.010 0.000 0.790 859 A CB 0.849 18.935 19.000 -1.524 0.000 1.206 859 A HN 0.353 nan 8.150 nan 0.000 0.470 860 E N 1.449 121.409 120.200 -0.401 0.000 2.017 860 E HA -0.184 4.166 4.350 0.001 0.000 0.193 860 E C 0.686 177.095 176.600 -0.320 0.000 0.997 860 E CA 1.722 57.957 56.400 -0.274 0.000 0.804 860 E CB -0.127 29.494 29.700 -0.132 0.000 0.757 860 E HN 0.728 nan 8.360 nan 0.000 0.448 861 D N 0.791 121.025 120.400 -0.277 0.000 2.239 861 D HA -0.108 4.532 4.640 0.001 0.000 0.202 861 D C 1.001 177.070 176.300 -0.385 0.000 0.993 861 D CA 1.564 55.452 54.000 -0.188 0.000 0.874 861 D CB -0.307 40.516 40.800 0.038 0.000 0.922 861 D HN 0.258 nan 8.370 nan 0.000 0.464 862 G N -0.131 108.098 108.800 -0.951 0.000 2.735 862 G HA2 0.439 4.400 3.960 0.001 0.000 0.301 862 G HA3 0.439 4.400 3.960 0.001 0.000 0.301 862 G C -2.772 171.602 174.900 -0.877 0.000 1.279 862 G CA -1.264 42.984 45.100 -1.419 0.000 1.019 862 G HN -0.226 nan 8.290 nan 0.000 0.497 863 P HA 0.092 nan 4.420 nan 0.000 0.250 863 P C 0.962 178.018 177.300 -0.407 0.000 1.161 863 P CA 0.408 63.269 63.100 -0.399 0.000 0.863 863 P CB 0.384 31.910 31.700 -0.291 0.000 0.827 864 G N 3.313 111.910 108.800 -0.339 0.000 3.229 864 G HA2 -0.025 3.935 3.960 0.001 0.000 0.214 864 G HA3 -0.025 3.935 3.960 0.001 0.000 0.214 864 G C 0.508 175.241 174.900 -0.278 0.000 1.256 864 G CA -0.223 44.678 45.100 -0.331 0.000 1.042 864 G HN 0.509 nan 8.290 nan 0.000 0.497 865 V N 0.868 120.646 119.914 -0.225 0.000 2.220 865 V HA 0.267 4.387 4.120 0.001 0.000 0.236 865 V C 0.826 176.826 176.094 -0.156 0.000 1.314 865 V CA -0.373 61.867 62.300 -0.099 0.000 1.349 865 V CB -1.675 30.108 31.823 -0.066 0.000 1.428 865 V HN 0.271 nan 8.190 nan 0.000 0.495 866 T N 1.014 115.377 114.554 -0.319 0.000 2.901 866 T HA 0.356 4.706 4.350 0.001 0.000 0.301 866 T C 0.230 174.841 174.700 -0.148 0.000 1.012 866 T CA -0.026 61.699 62.100 -0.625 0.000 1.135 866 T CB 0.161 68.469 68.868 -0.933 0.000 0.936 866 T HN 0.830 nan 8.240 nan 0.000 0.539 867 Y N -0.654 119.629 120.300 -0.029 0.000 4.538 867 Y HA -0.270 4.280 4.550 0.000 0.000 0.225 867 Y C 1.667 177.645 175.900 0.129 0.000 1.074 867 Y CA 1.169 59.329 58.100 0.099 0.000 1.942 867 Y CB -2.763 35.745 38.460 0.081 0.000 1.618 867 Y HN 0.959 nan 8.280 nan 0.000 0.642 868 H N 1.199 120.354 119.070 0.143 0.000 2.428 868 H HA 0.010 4.566 4.556 0.000 0.000 0.296 868 H C 0.424 175.932 175.328 0.300 0.000 1.062 868 H CA 2.073 58.225 56.048 0.173 0.000 1.350 868 H CB 0.266 30.087 29.762 0.098 0.000 1.403 868 H HN 0.623 nan 8.280 nan 0.000 0.533 869 Q N -0.250 119.798 119.800 0.414 0.000 2.541 869 Q HA -0.157 4.183 4.340 0.001 0.000 0.257 869 Q C 0.987 177.219 176.000 0.386 0.000 1.359 869 Q CA 0.500 56.499 55.803 0.327 0.000 0.725 869 Q CB -0.974 27.910 28.738 0.244 0.000 0.833 869 Q HN 0.393 nan 8.270 nan 0.000 0.310 870 L N 1.075 122.404 121.223 0.176 0.000 2.362 870 L HA -0.133 4.207 4.340 0.001 0.000 0.219 870 L C 2.137 179.119 176.870 0.186 0.000 1.134 870 L CA 1.457 56.380 54.840 0.137 0.000 0.807 870 L CB -0.410 41.551 42.059 -0.163 0.000 0.927 870 L HN 0.696 nan 8.230 nan 0.000 0.447 871 T N -1.857 112.768 114.554 0.118 0.000 2.684 871 T HA -0.220 4.130 4.350 0.001 0.000 0.267 871 T C 1.783 176.553 174.700 0.116 0.000 1.036 871 T CA 1.283 63.414 62.100 0.051 0.000 1.148 871 T CB -0.365 68.479 68.868 -0.040 0.000 0.863 871 T HN 0.360 nan 8.240 nan 0.000 0.436 872 H N 0.789 119.994 119.070 0.225 0.000 2.297 872 H HA -0.099 4.458 4.556 0.001 0.000 0.289 872 H C 0.788 176.346 175.328 0.383 0.000 1.105 872 H CA 1.944 58.159 56.048 0.278 0.000 1.219 872 H CB -0.311 29.657 29.762 0.343 0.000 1.351 872 H HN 0.530 nan 8.280 nan 0.000 0.481 873 F N -3.327 116.746 119.950 0.205 0.000 2.741 873 F HA 0.497 5.024 4.527 0.000 0.000 0.313 873 F C -0.517 175.220 175.800 -0.105 0.000 1.153 873 F CA -1.482 56.550 58.000 0.054 0.000 0.931 873 F CB 1.088 40.121 39.000 0.055 0.000 1.335 873 F HN -0.181 nan 8.300 nan 0.000 0.460 874 M N 1.018 120.391 119.600 -0.378 0.000 4.202 874 M HA 0.173 4.654 4.480 0.001 0.000 0.547 874 M C -0.266 175.792 176.300 -0.403 0.000 1.902 874 M CA 0.349 55.255 55.300 -0.656 0.000 0.619 874 M CB 0.869 33.233 32.600 -0.395 0.000 1.492 874 M HN 0.905 nan 8.290 nan 0.000 0.589 875 Q N -1.115 118.562 119.800 -0.206 0.000 2.404 875 Q HA 0.180 4.521 4.340 0.001 0.000 0.262 875 Q C 0.939 176.935 176.000 -0.007 0.000 0.846 875 Q CA 0.186 55.952 55.803 -0.061 0.000 0.978 875 Q CB 1.415 30.179 28.738 0.043 0.000 1.156 875 Q HN 0.552 nan 8.270 nan 0.000 0.548 876 c N 1.945 120.667 118.600 0.203 0.000 4.356 876 c HA -0.169 4.401 4.570 0.001 0.000 0.296 876 c C 1.579 175.719 174.090 0.083 0.000 1.424 876 c CA 0.961 57.450 56.329 0.266 0.000 2.000 876 c CB -2.074 40.481 42.510 0.076 0.000 1.262 876 c HN 0.598 nan 8.230 nan 0.000 0.789 877 T N -0.917 113.670 114.554 0.055 0.000 3.054 877 T HA -0.029 4.321 4.350 0.001 0.000 0.259 877 T C 1.461 176.116 174.700 -0.074 0.000 1.092 877 T CA 1.610 63.705 62.100 -0.008 0.000 1.121 877 T CB 0.128 69.001 68.868 0.008 0.000 0.912 877 T HN 0.781 nan 8.240 nan 0.000 0.489 878 E N 0.564 120.669 120.200 -0.158 0.000 2.290 878 E HA 0.091 4.441 4.350 0.001 0.000 0.199 878 E C 0.043 176.341 176.600 -0.504 0.000 0.912 878 E CA 0.118 56.282 56.400 -0.394 0.000 0.924 878 E CB 0.308 29.636 29.700 -0.621 0.000 0.901 878 E HN 0.266 nan 8.360 nan 0.000 0.487 879 D N 0.372 120.530 120.400 -0.402 0.000 2.828 879 D HA -0.185 4.455 4.640 0.001 0.000 0.241 879 D C 0.295 176.415 176.300 -0.300 0.000 1.142 879 D CA 0.345 54.195 54.000 -0.249 0.000 0.755 879 D CB -0.918 39.831 40.800 -0.085 0.000 1.014 879 D HN 0.314 nan 8.370 nan 0.000 0.420 880 H N -0.186 118.739 119.070 -0.242 0.000 2.344 880 H HA 0.090 4.646 4.556 0.000 0.000 0.307 880 H C -0.346 174.941 175.328 -0.068 0.000 1.057 880 H CA 1.469 57.427 56.048 -0.150 0.000 1.373 880 H CB -1.188 28.442 29.762 -0.221 0.000 1.421 880 H HN 0.454 nan 8.280 nan 0.000 0.532 881 P HA -0.158 nan 4.420 nan 0.000 0.212 881 P C 0.528 177.989 177.300 0.268 0.000 1.180 881 P CA 1.257 64.419 63.100 0.104 0.000 0.906 881 P CB -0.360 31.471 31.700 0.218 0.000 0.782 882 H N -0.401 118.797 119.070 0.213 0.000 3.362 882 H HA 0.058 4.614 4.556 0.001 0.000 0.248 882 H C 0.956 176.380 175.328 0.160 0.000 1.276 882 H CA -0.288 55.879 56.048 0.199 0.000 1.520 882 H CB -1.106 28.772 29.762 0.193 0.000 1.624 882 H HN -0.070 nan 8.280 nan 0.000 0.502 883 F N 2.466 122.359 119.950 -0.095 0.000 2.293 883 F HA 0.025 4.552 4.527 0.000 0.000 0.300 883 F C 0.666 176.374 175.800 -0.155 0.000 1.086 883 F CA 1.076 59.017 58.000 -0.099 0.000 1.375 883 F CB 0.436 39.390 39.000 -0.078 0.000 1.045 883 F HN 0.567 nan 8.300 nan 0.000 0.516 884 E N -0.754 119.291 120.200 -0.259 0.000 2.343 884 E HA 0.491 4.842 4.350 0.001 0.000 0.288 884 E C -0.571 175.798 176.600 -0.384 0.000 0.907 884 E CA -0.032 56.207 56.400 -0.268 0.000 0.792 884 E CB 1.000 30.629 29.700 -0.119 0.000 1.275 884 E HN 0.208 nan 8.360 nan 0.000 0.402 885 G N 2.197 110.914 108.800 -0.138 0.000 2.323 885 G HA2 0.314 4.275 3.960 0.001 0.000 0.291 885 G HA3 0.314 4.275 3.960 0.001 0.000 0.291 885 G C -1.449 173.553 174.900 0.169 0.000 1.278 885 G CA -0.743 44.427 45.100 0.116 0.000 0.860 885 G HN 0.405 nan 8.290 nan 0.000 0.504 886 L N 1.299 122.636 121.223 0.190 0.000 2.745 886 L HA 0.461 4.802 4.340 0.001 0.000 0.296 886 L C -1.223 175.688 176.870 0.068 0.000 1.362 886 L CA -0.299 54.599 54.840 0.097 0.000 0.724 886 L CB 1.094 43.184 42.059 0.052 0.000 1.069 886 L HN 0.639 nan 8.230 nan 0.000 0.535 887 D N -0.613 119.818 120.400 0.051 0.000 2.745 887 D HA 0.205 4.846 4.640 0.001 0.000 0.221 887 D C -1.157 175.097 176.300 -0.077 0.000 1.237 887 D CA -0.200 53.795 54.000 -0.009 0.000 0.781 887 D CB 2.665 43.465 40.800 0.000 0.000 1.575 887 D HN 0.116 nan 8.370 nan 0.000 0.482 888 c N 3.199 121.776 118.600 -0.038 0.000 4.008 888 c HA 0.136 4.706 4.570 0.001 0.000 0.312 888 c C 0.823 174.905 174.090 -0.014 0.000 2.149 888 c CA 0.155 56.452 56.329 -0.053 0.000 1.586 888 c CB -0.550 41.906 42.510 -0.090 0.000 3.087 888 c HN 0.668 nan 8.230 nan 0.000 0.531 889 E N 0.895 121.119 120.200 0.041 0.000 2.419 889 E HA 0.104 4.454 4.350 0.001 0.000 0.190 889 E C 1.068 177.773 176.600 0.174 0.000 1.040 889 E CA 0.057 56.502 56.400 0.075 0.000 0.900 889 E CB -0.185 29.532 29.700 0.030 0.000 1.054 889 E HN 0.687 nan 8.360 nan 0.000 0.462 890 I N -3.219 117.507 120.570 0.261 0.000 3.444 890 I HA 0.096 4.266 4.170 0.001 0.000 0.287 890 I C 0.988 177.379 176.117 0.455 0.000 1.302 890 I CA 0.326 61.803 61.300 0.295 0.000 1.368 890 I CB -0.547 37.600 38.000 0.244 0.000 1.048 890 I HN -0.093 nan 8.210 nan 0.000 0.487 891 F N 1.866 121.912 119.950 0.161 0.000 2.748 891 F HA 0.113 4.640 4.527 0.000 0.000 0.299 891 F C 1.724 177.648 175.800 0.206 0.000 1.154 891 F CA 0.714 58.783 58.000 0.116 0.000 1.446 891 F CB -0.490 38.407 39.000 -0.171 0.000 1.112 891 F HN 0.273 nan 8.300 nan 0.000 0.584 892 E N -0.305 120.079 120.200 0.305 0.000 2.548 892 E HA 0.326 4.676 4.350 0.001 0.000 0.206 892 E C 0.696 177.339 176.600 0.072 0.000 1.005 892 E CA -0.250 56.249 56.400 0.166 0.000 0.951 892 E CB 0.342 30.102 29.700 0.100 0.000 1.035 892 E HN 0.140 nan 8.360 nan 0.000 0.470 893 A N 3.109 125.965 122.820 0.059 0.000 2.531 893 A HA 0.064 4.384 4.320 0.001 0.000 0.236 893 A C -1.243 176.159 177.584 -0.303 0.000 1.062 893 A CA -0.804 51.137 52.037 -0.160 0.000 0.760 893 A CB 0.136 18.949 19.000 -0.313 0.000 0.995 893 A HN -0.007 nan 8.150 nan 0.000 0.501 894 P HA -0.066 nan 4.420 nan 0.000 0.221 894 P C 0.663 177.670 177.300 -0.489 0.000 1.155 894 P CA 0.948 63.861 63.100 -0.311 0.000 0.812 894 P CB 0.227 31.789 31.700 -0.229 0.000 0.801 895 E N 1.426 121.185 120.200 -0.735 0.000 2.065 895 E HA -0.166 4.184 4.350 0.001 0.000 0.201 895 E C -0.393 175.565 176.600 -1.071 0.000 1.016 895 E CA 2.364 58.161 56.400 -1.005 0.000 0.818 895 E CB -2.364 26.401 29.700 -1.558 0.000 0.749 895 E HN 0.421 nan 8.360 nan 0.000 0.453 896 P HA -0.162 nan 4.420 nan 0.000 0.217 896 P C 1.318 178.407 177.300 -0.351 0.000 1.150 896 P CA 1.569 64.213 63.100 -0.759 0.000 0.832 896 P CB -0.032 31.123 31.700 -0.909 0.000 0.787 897 M N -0.991 118.425 119.600 -0.307 0.000 2.229 897 M HA -0.062 4.418 4.480 0.001 0.000 0.264 897 M C 1.949 178.147 176.300 -0.170 0.000 1.063 897 M CA 1.743 56.949 55.300 -0.157 0.000 1.114 897 M CB -1.095 31.439 32.600 -0.111 0.000 1.387 897 M HN -0.055 nan 8.290 nan 0.000 0.420 898 T N 0.346 114.743 114.554 -0.263 0.000 2.951 898 T HA -0.028 4.323 4.350 0.001 0.000 0.268 898 T C 1.824 176.372 174.700 -0.253 0.000 1.073 898 T CA 0.865 62.809 62.100 -0.260 0.000 1.134 898 T CB 0.031 68.694 68.868 -0.341 0.000 0.884 898 T HN 0.247 nan 8.240 nan 0.000 0.479 899 M N 0.981 120.434 119.600 -0.245 0.000 2.156 899 M HA 0.139 4.619 4.480 0.001 0.000 0.264 899 M C 2.771 179.009 176.300 -0.102 0.000 1.067 899 M CA 1.026 56.224 55.300 -0.171 0.000 1.131 899 M CB -1.215 31.357 32.600 -0.047 0.000 1.368 899 M HN 0.303 nan 8.290 nan 0.000 0.416 900 A N 0.248 123.025 122.820 -0.071 0.000 1.855 900 A HA -0.152 4.168 4.320 0.001 0.000 0.215 900 A C 2.159 179.727 177.584 -0.028 0.000 1.191 900 A CA 1.293 53.313 52.037 -0.029 0.000 0.613 900 A CB -0.996 18.000 19.000 -0.006 0.000 0.829 900 A HN 0.402 nan 8.150 nan 0.000 0.442 901 L N 0.137 121.343 121.223 -0.027 0.000 2.042 901 L HA -0.121 4.220 4.340 0.001 0.000 0.210 901 L C 2.464 179.333 176.870 -0.002 0.000 1.076 901 L CA 2.596 57.443 54.840 0.012 0.000 0.749 901 L CB -0.708 41.376 42.059 0.043 0.000 0.893 901 L HN 0.290 nan 8.230 nan 0.000 0.432 902 S N -1.327 114.354 115.700 -0.032 0.000 2.382 902 S HA -0.132 4.339 4.470 0.001 0.000 0.228 902 S C 1.945 176.528 174.600 -0.029 0.000 1.027 902 S CA 1.285 59.444 58.200 -0.068 0.000 0.991 902 S CB -0.318 62.712 63.200 -0.283 0.000 0.823 902 S HN 0.353 nan 8.310 nan 0.000 0.469 903 V N 1.611 121.508 119.914 -0.029 0.000 2.358 903 V HA -0.103 4.018 4.120 0.001 0.000 0.246 903 V C 2.200 178.305 176.094 0.019 0.000 1.047 903 V CA 1.326 63.630 62.300 0.006 0.000 1.035 903 V CB -0.564 31.250 31.823 -0.015 0.000 0.658 903 V HN 0.356 nan 8.190 nan 0.000 0.452 904 L N 0.066 121.290 121.223 0.002 0.000 1.994 904 L HA -0.117 4.224 4.340 0.001 0.000 0.208 904 L C 2.400 179.272 176.870 0.003 0.000 1.071 904 L CA 1.959 56.804 54.840 0.009 0.000 0.745 904 L CB -0.623 41.440 42.059 0.007 0.000 0.892 904 L HN 0.127 nan 8.230 nan 0.000 0.431 905 V N -0.592 119.299 119.914 -0.038 0.000 2.332 905 V HA -0.332 3.788 4.120 0.001 0.000 0.248 905 V C 2.465 178.555 176.094 -0.006 0.000 1.055 905 V CA 2.314 64.576 62.300 -0.064 0.000 1.038 905 V CB -1.164 30.494 31.823 -0.275 0.000 0.651 905 V HN 0.575 nan 8.190 nan 0.000 0.450 906 T N -0.035 114.532 114.554 0.021 0.000 2.777 906 T HA -0.053 4.297 4.350 0.001 0.000 0.266 906 T C 1.840 176.584 174.700 0.072 0.000 1.040 906 T CA 1.531 63.673 62.100 0.071 0.000 1.141 906 T CB -0.237 68.707 68.868 0.126 0.000 0.868 906 T HN 0.330 nan 8.240 nan 0.000 0.444 907 I N 0.932 121.548 120.570 0.077 0.000 2.394 907 I HA -0.117 4.054 4.170 0.001 0.000 0.251 907 I C 2.610 178.783 176.117 0.092 0.000 1.136 907 I CA 1.023 62.378 61.300 0.091 0.000 1.425 907 I CB -0.227 37.845 38.000 0.120 0.000 1.079 907 I HN 0.144 nan 8.210 nan 0.000 0.425 908 E N 0.266 120.521 120.200 0.091 0.000 2.152 908 E HA -0.133 4.217 4.350 0.001 0.000 0.192 908 E C 2.194 178.912 176.600 0.196 0.000 0.983 908 E CA 0.984 57.476 56.400 0.152 0.000 0.818 908 E CB -0.142 29.613 29.700 0.092 0.000 0.758 908 E HN 0.383 nan 8.360 nan 0.000 0.467 909 M N -0.209 119.457 119.600 0.110 0.000 2.229 909 M HA -0.097 4.383 4.480 0.001 0.000 0.264 909 M C 2.329 178.651 176.300 0.036 0.000 1.063 909 M CA 0.727 56.067 55.300 0.068 0.000 1.114 909 M CB -1.063 31.568 32.600 0.051 0.000 1.387 909 M HN 0.152 nan 8.290 nan 0.000 0.420 910 C N 0.091 119.421 119.300 0.050 0.000 2.475 910 C HA -0.046 4.415 4.460 0.001 0.000 0.279 910 C C 2.496 177.501 174.990 0.025 0.000 1.322 910 C CA 0.733 59.767 59.018 0.026 0.000 1.734 910 C CB -1.217 26.540 27.740 0.028 0.000 2.005 910 C HN 0.570 nan 8.230 nan 0.000 0.495 911 N N 0.972 119.722 118.700 0.083 0.000 2.396 911 N HA -0.013 4.727 4.740 0.001 0.000 0.180 911 N C 1.595 177.137 175.510 0.053 0.000 1.028 911 N CA 1.159 54.280 53.050 0.119 0.000 0.893 911 N CB -0.111 38.496 38.487 0.202 0.000 0.967 911 N HN 0.470 nan 8.380 nan 0.000 0.440 912 A N 0.054 122.815 122.820 -0.099 0.000 1.930 912 A HA -0.014 4.306 4.320 0.001 0.000 0.217 912 A C 2.118 179.535 177.584 -0.278 0.000 1.175 912 A CA 0.755 52.460 52.037 -0.554 0.000 0.627 912 A CB -0.519 18.144 19.000 -0.562 0.000 0.815 912 A HN 0.312 nan 8.150 nan 0.000 0.443 913 L N -0.175 120.966 121.223 -0.137 0.000 2.093 913 L HA -0.131 4.209 4.340 0.001 0.000 0.208 913 L C 1.616 178.440 176.870 -0.077 0.000 1.085 913 L CA 0.876 55.658 54.840 -0.098 0.000 0.755 913 L CB -0.524 41.496 42.059 -0.066 0.000 0.904 913 L HN 0.372 nan 8.230 nan 0.000 0.435 914 N N -0.625 118.048 118.700 -0.045 0.000 2.571 914 N HA -0.068 4.673 4.740 0.001 0.000 0.189 914 N C 1.510 177.022 175.510 0.004 0.000 1.154 914 N CA 0.644 53.688 53.050 -0.010 0.000 0.907 914 N CB 0.233 38.734 38.487 0.024 0.000 0.977 914 N HN 0.199 nan 8.380 nan 0.000 0.449 915 S N 0.245 115.921 115.700 -0.040 0.000 2.517 915 S HA 0.243 4.713 4.470 0.001 0.000 0.214 915 S C 1.932 176.500 174.600 -0.053 0.000 0.991 915 S CA -0.341 57.841 58.200 -0.030 0.000 0.906 915 S CB 0.460 63.602 63.200 -0.097 0.000 0.789 915 S HN 0.206 nan 8.310 nan 0.000 0.513 916 L N 1.004 122.185 121.223 -0.070 0.000 2.081 916 L HA -0.033 4.307 4.340 0.001 0.000 0.212 916 L C 1.145 177.991 176.870 -0.040 0.000 1.080 916 L CA 0.832 55.636 54.840 -0.059 0.000 0.754 916 L CB -0.072 41.945 42.059 -0.070 0.000 0.893 916 L HN 0.216 nan 8.230 nan 0.000 0.433 917 S N -1.837 113.844 115.700 -0.031 0.000 2.548 917 S HA 0.142 4.612 4.470 0.001 0.000 0.276 917 S C 0.517 175.117 174.600 -0.000 0.000 1.129 917 S CA -0.794 57.395 58.200 -0.019 0.000 0.931 917 S CB 1.856 65.041 63.200 -0.025 0.000 1.068 917 S HN 0.238 nan 8.310 nan 0.000 0.480 918 E N 3.266 123.470 120.200 0.006 0.000 2.051 918 E HA -0.129 4.221 4.350 0.001 0.000 0.192 918 E C 0.931 177.548 176.600 0.029 0.000 0.991 918 E CA 1.616 58.029 56.400 0.022 0.000 0.799 918 E CB -0.051 29.662 29.700 0.022 0.000 0.748 918 E HN 0.819 nan 8.360 nan 0.000 0.449 919 N N -1.055 117.658 118.700 0.021 0.000 2.210 919 N HA 0.027 4.767 4.740 0.001 0.000 0.203 919 N C -0.389 175.127 175.510 0.011 0.000 1.175 919 N CA -0.366 52.700 53.050 0.027 0.000 0.894 919 N CB 0.721 39.215 38.487 0.013 0.000 1.041 919 N HN -0.022 nan 8.380 nan 0.000 0.506 920 Q N 1.247 121.045 119.800 -0.003 0.000 2.314 920 Q HA 0.264 4.604 4.340 0.001 0.000 0.258 920 Q C -0.195 175.801 176.000 -0.007 0.000 0.954 920 Q CA 0.238 56.033 55.803 -0.012 0.000 0.890 920 Q CB 1.519 30.242 28.738 -0.025 0.000 1.210 920 Q HN 0.069 nan 8.270 nan 0.000 0.410 921 S N 1.764 117.465 115.700 0.002 0.000 2.603 921 S HA 0.186 4.656 4.470 0.001 0.000 0.268 921 S C 1.516 176.093 174.600 -0.038 0.000 1.317 921 S CA -0.489 57.714 58.200 0.006 0.000 1.012 921 S CB 0.450 63.675 63.200 0.041 0.000 0.926 921 S HN 0.528 nan 8.310 nan 0.000 0.539 922 L N 1.446 122.637 121.223 -0.054 0.000 2.633 922 L HA -0.058 4.282 4.340 0.001 0.000 0.235 922 L C 1.799 178.588 176.870 -0.135 0.000 1.163 922 L CA 0.552 55.323 54.840 -0.114 0.000 0.859 922 L CB -0.315 41.678 42.059 -0.109 0.000 0.973 922 L HN 0.617 nan 8.230 nan 0.000 0.451 923 M N -1.355 118.203 119.600 -0.070 0.000 2.394 923 M HA -0.003 4.478 4.480 0.001 0.000 0.266 923 M C 2.139 178.410 176.300 -0.048 0.000 1.098 923 M CA 1.214 56.485 55.300 -0.048 0.000 1.149 923 M CB -0.605 31.995 32.600 0.001 0.000 1.369 923 M HN 0.177 nan 8.290 nan 0.000 0.450 924 R N -0.246 120.226 120.500 -0.046 0.000 2.090 924 R HA 0.212 4.552 4.340 0.001 0.000 0.219 924 R C 0.946 177.205 176.300 -0.068 0.000 1.100 924 R CA 0.569 56.647 56.100 -0.037 0.000 0.991 924 R CB 0.012 30.297 30.300 -0.025 0.000 0.893 924 R HN 0.308 nan 8.270 nan 0.000 0.443 925 M N 2.323 121.860 119.600 -0.105 0.000 2.065 925 M HA 0.336 4.817 4.480 0.001 0.000 0.308 925 M C -2.569 173.573 176.300 -0.263 0.000 0.939 925 M CA -2.075 53.139 55.300 -0.144 0.000 0.890 925 M CB 1.809 34.353 32.600 -0.094 0.000 1.383 925 M HN -0.227 nan 8.290 nan 0.000 0.381 926 P HA 0.113 nan 4.420 nan 0.000 0.269 926 P C -2.347 174.512 177.300 -0.734 0.000 1.217 926 P CA -0.701 61.875 63.100 -0.874 0.000 0.783 926 P CB 0.109 30.706 31.700 -1.838 0.000 0.898 927 P HA -0.147 nan 4.420 nan 0.000 0.216 927 P C 0.693 177.911 177.300 -0.137 0.000 1.150 927 P CA 1.297 64.237 63.100 -0.267 0.000 0.837 927 P CB -0.423 31.192 31.700 -0.141 0.000 0.786 928 W N -1.704 119.600 121.300 0.006 0.000 2.848 928 W HA 0.081 4.742 4.660 0.000 0.000 0.241 928 W C 1.071 177.601 176.519 0.017 0.000 1.289 928 W CA -0.054 57.294 57.345 0.005 0.000 1.396 928 W CB -1.996 27.461 29.460 -0.005 0.000 1.138 928 W HN -0.287 nan 8.180 nan 0.000 0.677 929 V N 1.685 121.590 119.914 -0.015 0.000 2.594 929 V HA -0.222 3.899 4.120 0.001 0.000 0.253 929 V C 0.867 177.031 176.094 0.117 0.000 1.069 929 V CA 1.958 64.292 62.300 0.056 0.000 1.082 929 V CB -0.796 30.997 31.823 -0.050 0.000 0.680 929 V HN 0.347 nan 8.190 nan 0.000 0.469 930 N N 0.282 119.051 118.700 0.116 0.000 2.623 930 N HA 0.189 4.929 4.740 0.001 0.000 0.256 930 N C 0.512 176.134 175.510 0.186 0.000 1.045 930 N CA -0.340 52.820 53.050 0.183 0.000 0.863 930 N CB 1.149 39.731 38.487 0.158 0.000 1.182 930 N HN -0.031 nan 8.380 nan 0.000 0.523 931 I N 1.550 122.217 120.570 0.161 0.000 2.361 931 I HA -0.153 4.018 4.170 0.001 0.000 0.251 931 I C 1.408 177.546 176.117 0.036 0.000 1.133 931 I CA 0.846 62.172 61.300 0.044 0.000 1.413 931 I CB -0.724 37.218 38.000 -0.097 0.000 1.073 931 I HN 0.542 nan 8.210 nan 0.000 0.424 932 W N 0.631 121.996 121.300 0.109 0.000 2.363 932 W HA -0.204 4.456 4.660 0.001 0.000 0.296 932 W C 2.456 179.026 176.519 0.085 0.000 1.212 932 W CA 0.474 57.904 57.345 0.142 0.000 1.260 932 W CB -0.872 28.789 29.460 0.334 0.000 1.131 932 W HN 0.066 nan 8.180 nan 0.000 0.530 933 L N 0.152 121.542 121.223 0.278 0.000 2.083 933 L HA -0.135 4.205 4.340 0.001 0.000 0.209 933 L C 2.048 178.961 176.870 0.072 0.000 1.083 933 L CA 1.829 56.738 54.840 0.116 0.000 0.752 933 L CB -0.943 41.147 42.059 0.050 0.000 0.899 933 L HN 0.017 nan 8.230 nan 0.000 0.433 934 L N -1.150 120.118 121.223 0.075 0.000 2.056 934 L HA -0.070 4.270 4.340 0.001 0.000 0.207 934 L C 2.521 179.414 176.870 0.038 0.000 1.078 934 L CA 1.153 56.022 54.840 0.049 0.000 0.749 934 L CB -1.411 40.683 42.059 0.058 0.000 0.901 934 L HN 0.423 nan 8.230 nan 0.000 0.433 935 G N 0.029 108.853 108.800 0.039 0.000 2.418 935 G HA2 -0.291 3.669 3.960 0.001 0.000 0.217 935 G HA3 -0.291 3.669 3.960 0.001 0.000 0.217 935 G C 1.822 176.755 174.900 0.056 0.000 1.158 935 G CA 1.080 46.194 45.100 0.024 0.000 0.771 935 G HN 0.505 nan 8.290 nan 0.000 0.545 936 S N 0.665 116.419 115.700 0.089 0.000 2.368 936 S HA -0.017 4.453 4.470 0.001 0.000 0.224 936 S C 2.334 176.963 174.600 0.047 0.000 1.029 936 S CA 1.025 59.270 58.200 0.075 0.000 0.988 936 S CB -0.400 62.841 63.200 0.069 0.000 0.838 936 S HN 0.331 nan 8.310 nan 0.000 0.462 937 I N 1.368 121.960 120.570 0.037 0.000 2.264 937 I HA -0.202 3.968 4.170 0.001 0.000 0.248 937 I C 2.505 178.646 176.117 0.040 0.000 1.111 937 I CA 1.024 62.344 61.300 0.034 0.000 1.382 937 I CB -0.624 37.389 38.000 0.021 0.000 1.060 937 I HN 0.425 nan 8.210 nan 0.000 0.418 938 C N 0.094 119.411 119.300 0.029 0.000 2.440 938 C HA -0.120 4.341 4.460 0.001 0.000 0.278 938 C C 2.692 177.702 174.990 0.034 0.000 1.295 938 C CA 0.294 59.322 59.018 0.016 0.000 1.738 938 C CB -0.875 26.863 27.740 -0.004 0.000 1.987 938 C HN 0.509 nan 8.230 nan 0.000 0.492 939 L N 1.076 122.326 121.223 0.045 0.000 2.109 939 L HA -0.030 4.310 4.340 0.001 0.000 0.207 939 L C 2.435 179.360 176.870 0.093 0.000 1.086 939 L CA 1.923 56.800 54.840 0.060 0.000 0.760 939 L CB -0.819 41.273 42.059 0.056 0.000 0.910 939 L HN 0.180 nan 8.230 nan 0.000 0.437 940 S N -0.776 114.978 115.700 0.089 0.000 2.383 940 S HA -0.098 4.372 4.470 0.001 0.000 0.227 940 S C 1.886 176.608 174.600 0.203 0.000 1.026 940 S CA 1.385 59.657 58.200 0.120 0.000 0.981 940 S CB -0.212 63.034 63.200 0.077 0.000 0.818 940 S HN 0.365 nan 8.310 nan 0.000 0.472 941 M N 1.508 121.218 119.600 0.183 0.000 2.175 941 M HA 0.041 4.521 4.480 0.001 0.000 0.264 941 M C 2.206 178.742 176.300 0.393 0.000 1.063 941 M CA 1.118 56.588 55.300 0.284 0.000 1.119 941 M CB -1.765 30.942 32.600 0.178 0.000 1.377 941 M HN 0.162 nan 8.290 nan 0.000 0.415 942 S N 0.879 116.709 115.700 0.217 0.000 2.382 942 S HA -0.034 4.436 4.470 0.001 0.000 0.228 942 S C 2.048 176.810 174.600 0.271 0.000 1.027 942 S CA 0.963 59.267 58.200 0.175 0.000 0.991 942 S CB -0.340 62.904 63.200 0.073 0.000 0.823 942 S HN 0.428 nan 8.310 nan 0.000 0.469 943 L N 0.304 121.704 121.223 0.295 0.000 2.141 943 L HA -0.103 4.238 4.340 0.001 0.000 0.209 943 L C 2.466 179.580 176.870 0.405 0.000 1.094 943 L CA 1.241 56.305 54.840 0.373 0.000 0.763 943 L CB -0.506 41.809 42.059 0.427 0.000 0.908 943 L HN 0.342 nan 8.230 nan 0.000 0.437 944 H N -0.035 119.225 119.070 0.317 0.000 2.299 944 H HA -0.172 4.385 4.556 0.001 0.000 0.302 944 H C 1.994 177.408 175.328 0.142 0.000 1.078 944 H CA 1.872 58.043 56.048 0.205 0.000 1.323 944 H CB -0.212 29.687 29.762 0.228 0.000 1.381 944 H HN 0.111 nan 8.280 nan 0.000 0.498 945 F N -0.240 119.806 119.950 0.160 0.000 2.202 945 F HA -0.140 4.387 4.527 0.000 0.000 0.301 945 F C 2.421 178.279 175.800 0.098 0.000 1.082 945 F CA 0.982 59.056 58.000 0.124 0.000 1.313 945 F CB -0.678 38.347 39.000 0.041 0.000 1.024 945 F HN 0.229 nan 8.300 nan 0.000 0.495 946 L N 1.222 122.586 121.223 0.234 0.000 2.013 946 L HA -0.198 4.143 4.340 0.001 0.000 0.212 946 L C 2.089 178.993 176.870 0.056 0.000 1.073 946 L CA 1.922 56.850 54.840 0.146 0.000 0.753 946 L CB -0.863 41.289 42.059 0.155 0.000 0.890 946 L HN 0.325 nan 8.230 nan 0.000 0.432 947 I N -3.799 116.704 120.570 -0.112 0.000 3.564 947 I HA -0.040 4.130 4.170 0.001 0.000 0.294 947 I C 1.600 177.610 176.117 -0.179 0.000 1.289 947 I CA 0.624 61.782 61.300 -0.236 0.000 1.325 947 I CB -0.271 37.290 38.000 -0.731 0.000 1.039 947 I HN 0.236 nan 8.210 nan 0.000 0.474 948 L N -0.889 120.279 121.223 -0.092 0.000 2.515 948 L HA 0.141 4.481 4.340 0.001 0.000 0.223 948 L C 1.605 178.425 176.870 -0.083 0.000 1.079 948 L CA 0.458 55.227 54.840 -0.118 0.000 0.857 948 L CB 0.117 42.091 42.059 -0.142 0.000 1.050 948 L HN 0.212 nan 8.230 nan 0.000 0.476 949 Y N -1.510 118.774 120.300 -0.025 0.000 2.638 949 Y HA 0.153 4.704 4.550 0.001 0.000 0.275 949 Y C 1.224 177.132 175.900 0.014 0.000 1.122 949 Y CA -0.434 57.675 58.100 0.017 0.000 1.266 949 Y CB 0.207 38.709 38.460 0.070 0.000 1.317 949 Y HN -0.348 nan 8.280 nan 0.000 0.501 950 V N 3.704 123.723 119.914 0.174 0.000 2.304 950 V HA -0.088 4.032 4.120 0.001 0.000 0.239 950 V C 0.556 176.684 176.094 0.056 0.000 1.201 950 V CA -0.018 62.344 62.300 0.104 0.000 1.254 950 V CB -1.040 30.838 31.823 0.092 0.000 1.335 950 V HN 0.409 nan 8.190 nan 0.000 0.491 951 D N 4.214 124.636 120.400 0.037 0.000 5.151 951 D HA -0.281 4.359 4.640 0.001 0.000 0.243 951 D C -0.326 175.973 176.300 -0.000 0.000 1.563 951 D CA 2.396 56.400 54.000 0.006 0.000 0.858 951 D CB -1.679 39.126 40.800 0.007 0.000 0.880 951 D HN 0.458 nan 8.370 nan 0.000 0.721 952 P HA -0.143 nan 4.420 nan 0.000 0.216 952 P C 2.044 179.337 177.300 -0.010 0.000 1.157 952 P CA 1.056 64.156 63.100 0.000 0.000 0.880 952 P CB -0.173 31.536 31.700 0.015 0.000 0.791 953 L N -0.307 120.928 121.223 0.020 0.000 1.994 953 L HA -0.087 4.253 4.340 0.001 0.000 0.208 953 L C -0.253 176.674 176.870 0.095 0.000 1.071 953 L CA 1.977 56.858 54.840 0.068 0.000 0.745 953 L CB -2.666 39.449 42.059 0.093 0.000 0.892 953 L HN 0.091 nan 8.230 nan 0.000 0.431 954 P HA -0.239 nan 4.420 nan 0.000 0.221 954 P C 1.697 178.980 177.300 -0.030 0.000 1.145 954 P CA 1.747 64.838 63.100 -0.016 0.000 0.795 954 P CB -0.055 31.594 31.700 -0.086 0.000 0.775 955 M N -0.834 118.740 119.600 -0.044 0.000 2.236 955 M HA -0.027 4.453 4.480 0.001 0.000 0.266 955 M C 2.056 178.303 176.300 -0.089 0.000 1.070 955 M CA 1.430 56.693 55.300 -0.062 0.000 1.137 955 M CB -0.324 32.242 32.600 -0.056 0.000 1.378 955 M HN -0.214 nan 8.290 nan 0.000 0.426 956 I N -0.276 120.209 120.570 -0.142 0.000 2.439 956 I HA -0.224 3.946 4.170 0.001 0.000 0.251 956 I C 1.221 177.102 176.117 -0.393 0.000 1.139 956 I CA 1.120 62.247 61.300 -0.289 0.000 1.438 956 I CB -0.256 37.483 38.000 -0.434 0.000 1.085 956 I HN 0.206 nan 8.210 nan 0.000 0.427 957 F N 0.849 120.736 119.950 -0.105 0.000 2.727 957 F HA 0.182 4.709 4.527 0.000 0.000 0.302 957 F C 0.775 176.509 175.800 -0.109 0.000 1.097 957 F CA -0.202 57.728 58.000 -0.117 0.000 1.330 957 F CB -0.180 38.698 39.000 -0.202 0.000 1.084 957 F HN -0.138 nan 8.300 nan 0.000 0.578 958 K N 1.177 121.588 120.400 0.019 0.000 3.244 958 K HA -0.182 4.138 4.320 0.001 0.000 0.270 958 K C -0.844 175.715 176.600 -0.068 0.000 1.016 958 K CA 0.187 56.454 56.287 -0.034 0.000 0.754 958 K CB -1.913 30.571 32.500 -0.028 0.000 1.326 958 K HN 0.275 nan 8.250 nan 0.000 0.465 959 L N -0.077 121.094 121.223 -0.086 0.000 2.301 959 L HA 0.611 4.951 4.340 0.001 0.000 0.264 959 L C -0.031 176.716 176.870 -0.204 0.000 1.016 959 L CA -1.218 53.524 54.840 -0.164 0.000 0.821 959 L CB 1.755 43.705 42.059 -0.183 0.000 1.346 959 L HN -0.097 nan 8.230 nan 0.000 0.429 960 K N 1.404 121.646 120.400 -0.265 0.000 2.565 960 K HA 0.502 4.822 4.320 0.001 0.000 0.249 960 K C -0.920 175.491 176.600 -0.315 0.000 0.958 960 K CA -0.541 55.581 56.287 -0.275 0.000 0.806 960 K CB 2.116 34.461 32.500 -0.259 0.000 1.194 960 K HN 0.714 nan 8.250 nan 0.000 0.434 961 A N 4.442 127.042 122.820 -0.367 0.000 2.608 961 A HA -0.023 4.298 4.320 0.001 0.000 0.239 961 A C 0.241 177.683 177.584 -0.236 0.000 1.018 961 A CA 0.530 52.341 52.037 -0.376 0.000 0.766 961 A CB -0.280 18.326 19.000 -0.656 0.000 0.928 961 A HN 0.634 nan 8.150 nan 0.000 0.512 962 L N 1.817 122.904 121.223 -0.227 0.000 2.399 962 L HA 0.284 4.625 4.340 0.001 0.000 0.266 962 L C 0.642 177.514 176.870 0.003 0.000 1.114 962 L CA -0.671 54.004 54.840 -0.274 0.000 0.804 962 L CB 0.928 42.508 42.059 -0.798 0.000 1.146 962 L HN 0.890 nan 8.230 nan 0.000 0.451 963 D N 0.302 120.728 120.400 0.044 0.000 2.358 963 D HA 0.056 4.697 4.640 0.001 0.000 0.244 963 D C 0.692 177.157 176.300 0.274 0.000 1.163 963 D CA -0.350 53.747 54.000 0.161 0.000 0.945 963 D CB 1.024 41.907 40.800 0.138 0.000 1.152 963 D HN 0.311 nan 8.370 nan 0.000 0.451 964 L N 1.663 123.053 121.223 0.278 0.000 2.141 964 L HA -0.054 4.287 4.340 0.001 0.000 0.209 964 L C 1.954 178.985 176.870 0.268 0.000 1.094 964 L CA 1.794 56.816 54.840 0.304 0.000 0.763 964 L CB -0.707 41.476 42.059 0.207 0.000 0.908 964 L HN 0.570 nan 8.230 nan 0.000 0.437 965 T N -1.243 113.443 114.554 0.220 0.000 2.812 965 T HA -0.146 4.205 4.350 0.001 0.000 0.264 965 T C 1.794 176.635 174.700 0.235 0.000 1.042 965 T CA 1.332 63.558 62.100 0.210 0.000 1.140 965 T CB -0.047 68.944 68.868 0.205 0.000 0.870 965 T HN 0.430 nan 8.240 nan 0.000 0.445 966 Q N -0.344 119.605 119.800 0.249 0.000 2.084 966 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 966 Q C 2.088 178.141 176.000 0.089 0.000 0.978 966 Q CA 1.380 57.313 55.803 0.217 0.000 0.844 966 Q CB -0.202 28.628 28.738 0.154 0.000 0.898 966 Q HN 0.608 nan 8.270 nan 0.000 0.426 967 W N 0.396 121.752 121.300 0.093 0.000 2.335 967 W HA -0.218 4.443 4.660 0.000 0.000 0.311 967 W C 1.789 178.326 176.519 0.030 0.000 1.213 967 W CA 0.167 57.553 57.345 0.068 0.000 1.274 967 W CB -0.089 29.438 29.460 0.111 0.000 1.148 967 W HN 0.161 nan 8.180 nan 0.000 0.498 968 L N -0.590 120.811 121.223 0.297 0.000 2.127 968 L HA -0.253 4.087 4.340 0.001 0.000 0.211 968 L C 2.322 179.220 176.870 0.046 0.000 1.089 968 L CA 1.684 56.617 54.840 0.154 0.000 0.757 968 L CB -1.280 40.850 42.059 0.119 0.000 0.899 968 L HN 0.051 nan 8.230 nan 0.000 0.434 969 M N -1.492 118.079 119.600 -0.049 0.000 2.229 969 M HA -0.082 4.398 4.480 0.001 0.000 0.264 969 M C 2.079 178.256 176.300 -0.205 0.000 1.063 969 M CA 1.463 56.592 55.300 -0.284 0.000 1.114 969 M CB -0.407 31.741 32.600 -0.754 0.000 1.387 969 M HN 0.011 nan 8.290 nan 0.000 0.420 970 V N 0.130 120.011 119.914 -0.055 0.000 2.295 970 V HA -0.274 3.847 4.120 0.001 0.000 0.246 970 V C 2.390 178.529 176.094 0.074 0.000 1.049 970 V CA 1.810 64.123 62.300 0.022 0.000 1.024 970 V CB -0.784 31.137 31.823 0.164 0.000 0.648 970 V HN 0.505 nan 8.190 nan 0.000 0.447 971 L N -0.503 120.793 121.223 0.123 0.000 2.131 971 L HA -0.192 4.148 4.340 0.001 0.000 0.210 971 L C 2.540 179.436 176.870 0.044 0.000 1.092 971 L CA 1.584 56.480 54.840 0.094 0.000 0.759 971 L CB -0.699 41.417 42.059 0.094 0.000 0.903 971 L HN 0.315 nan 8.230 nan 0.000 0.435 972 K N 0.049 120.452 120.400 0.004 0.000 2.147 972 K HA -0.153 4.168 4.320 0.001 0.000 0.205 972 K C 2.045 178.639 176.600 -0.010 0.000 1.049 972 K CA 1.313 57.587 56.287 -0.021 0.000 0.936 972 K CB -0.028 32.425 32.500 -0.078 0.000 0.722 972 K HN 0.305 nan 8.250 nan 0.000 0.446 973 I N -0.006 120.550 120.570 -0.024 0.000 3.035 973 I HA -0.135 4.035 4.170 0.001 0.000 0.271 973 I C 1.538 177.731 176.117 0.126 0.000 1.190 973 I CA 0.609 61.913 61.300 0.007 0.000 1.472 973 I CB 0.349 38.299 38.000 -0.084 0.000 1.116 973 I HN -0.008 nan 8.210 nan 0.000 0.443 974 S N 1.035 116.799 115.700 0.106 0.000 2.315 974 S HA -0.008 4.463 4.470 0.001 0.000 0.211 974 S C 1.827 176.493 174.600 0.109 0.000 1.029 974 S CA 0.557 58.841 58.200 0.141 0.000 0.956 974 S CB -0.382 62.881 63.200 0.106 0.000 0.918 974 S HN 0.246 nan 8.310 nan 0.000 0.470 975 L N 2.457 123.722 121.223 0.070 0.000 2.113 975 L HA -0.152 4.188 4.340 0.001 0.000 0.221 975 L C -0.742 176.133 176.870 0.008 0.000 1.084 975 L CA 1.975 56.837 54.840 0.036 0.000 0.787 975 L CB -2.784 39.294 42.059 0.033 0.000 0.893 975 L HN 0.305 nan 8.230 nan 0.000 0.440 976 P HA -0.104 nan 4.420 nan 0.000 0.231 976 P C 1.921 179.108 177.300 -0.189 0.000 1.158 976 P CA 0.754 63.837 63.100 -0.027 0.000 0.763 976 P CB -0.057 31.679 31.700 0.060 0.000 0.805 977 V N 0.045 119.817 119.914 -0.235 0.000 2.515 977 V HA -0.192 3.928 4.120 0.001 0.000 0.250 977 V C 2.330 178.292 176.094 -0.220 0.000 1.058 977 V CA 1.248 63.298 62.300 -0.417 0.000 1.064 977 V CB -0.824 30.860 31.823 -0.231 0.000 0.675 977 V HN -0.040 nan 8.190 nan 0.000 0.461 978 I N 0.435 120.937 120.570 -0.114 0.000 2.226 978 I HA -0.133 4.037 4.170 0.001 0.000 0.245 978 I C 2.531 178.609 176.117 -0.065 0.000 1.100 978 I CA 1.575 62.834 61.300 -0.067 0.000 1.374 978 I CB -0.932 37.045 38.000 -0.038 0.000 1.057 978 I HN 0.441 nan 8.210 nan 0.000 0.413 979 G N 0.983 109.739 108.800 -0.074 0.000 2.408 979 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 979 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 979 G C 1.645 176.508 174.900 -0.061 0.000 1.150 979 G CA 0.476 45.543 45.100 -0.054 0.000 0.776 979 G HN 0.265 nan 8.290 nan 0.000 0.542 980 L N 0.915 122.063 121.223 -0.126 0.000 2.017 980 L HA -0.005 4.336 4.340 0.001 0.000 0.208 980 L C 2.107 178.940 176.870 -0.063 0.000 1.073 980 L CA 2.648 57.413 54.840 -0.125 0.000 0.745 980 L CB -0.671 41.221 42.059 -0.278 0.000 0.894 980 L HN 0.189 nan 8.230 nan 0.000 0.432 981 D N -1.083 119.273 120.400 -0.073 0.000 2.183 981 D HA -0.189 4.451 4.640 0.001 0.000 0.203 981 D C 2.070 178.396 176.300 0.042 0.000 0.969 981 D CA 0.769 54.757 54.000 -0.020 0.000 0.842 981 D CB 0.140 40.927 40.800 -0.023 0.000 0.957 981 D HN 0.420 nan 8.370 nan 0.000 0.484 982 E N -0.163 120.056 120.200 0.031 0.000 2.077 982 E HA -0.093 4.258 4.350 0.001 0.000 0.193 982 E C 2.043 178.724 176.600 0.134 0.000 0.989 982 E CA 0.827 57.267 56.400 0.068 0.000 0.800 982 E CB -0.137 29.583 29.700 0.033 0.000 0.746 982 E HN 0.396 nan 8.360 nan 0.000 0.452 983 I N -0.108 120.528 120.570 0.109 0.000 2.353 983 I HA -0.228 3.943 4.170 0.001 0.000 0.248 983 I C 2.031 178.323 176.117 0.293 0.000 1.119 983 I CA 0.674 62.068 61.300 0.156 0.000 1.417 983 I CB -0.163 37.889 38.000 0.086 0.000 1.078 983 I HN 0.137 nan 8.210 nan 0.000 0.421 984 L N 0.427 121.815 121.223 0.276 0.000 2.093 984 L HA -0.194 4.146 4.340 0.001 0.000 0.208 984 L C 2.515 179.712 176.870 0.545 0.000 1.085 984 L CA 1.387 56.505 54.840 0.464 0.000 0.755 984 L CB -0.537 41.647 42.059 0.209 0.000 0.904 984 L HN 0.179 nan 8.230 nan 0.000 0.435 985 K N -0.385 120.212 120.400 0.329 0.000 2.025 985 K HA -0.184 4.136 4.320 0.001 0.000 0.207 985 K C 2.092 178.819 176.600 0.212 0.000 1.049 985 K CA 1.435 57.873 56.287 0.252 0.000 0.933 985 K CB -0.292 32.298 32.500 0.151 0.000 0.714 985 K HN 0.061 nan 8.250 nan 0.000 0.438 986 F N 2.056 122.074 119.950 0.113 0.000 2.120 986 F HA -0.239 4.289 4.527 0.001 0.000 0.300 986 F C 1.870 177.730 175.800 0.099 0.000 1.095 986 F CA 1.471 59.523 58.000 0.086 0.000 1.249 986 F CB -0.083 38.977 39.000 0.099 0.000 0.995 986 F HN -0.064 nan 8.300 nan 0.000 0.480 987 I N -0.148 120.631 120.570 0.348 0.000 2.394 987 I HA -0.265 3.906 4.170 0.001 0.000 0.251 987 I C 2.579 178.560 176.117 -0.226 0.000 1.136 987 I CA 0.997 62.398 61.300 0.169 0.000 1.425 987 I CB -0.849 37.200 38.000 0.082 0.000 1.079 987 I HN 0.241 nan 8.210 nan 0.000 0.425 988 A N 0.926 123.584 122.820 -0.270 0.000 1.929 988 A HA -0.111 4.209 4.320 0.001 0.000 0.216 988 A C 2.405 179.835 177.584 -0.256 0.000 1.176 988 A CA 1.044 52.842 52.037 -0.398 0.000 0.628 988 A CB -0.342 18.580 19.000 -0.129 0.000 0.816 988 A HN 0.299 nan 8.150 nan 0.000 0.444 989 R N -0.634 119.727 120.500 -0.231 0.000 2.075 989 R HA -0.020 4.321 4.340 0.001 0.000 0.226 989 R C 1.222 177.288 176.300 -0.390 0.000 1.114 989 R CA 1.582 57.516 56.100 -0.275 0.000 0.972 989 R CB -0.262 29.870 30.300 -0.279 0.000 0.869 989 R HN 0.533 nan 8.270 nan 0.000 0.437 990 N N -1.039 117.324 118.700 -0.561 0.000 2.356 990 N HA 0.008 4.748 4.740 0.001 0.000 0.178 990 N C -0.095 174.826 175.510 -0.981 0.000 1.075 990 N CA 0.562 53.129 53.050 -0.806 0.000 0.889 990 N CB 0.546 38.354 38.487 -1.131 0.000 0.999 990 N HN 0.196 nan 8.380 nan 0.000 0.464 991 Y N -0.518 119.628 120.300 -0.256 0.000 2.738 991 Y HA 0.447 4.997 4.550 0.001 0.000 0.249 991 Y C -0.098 175.652 175.900 -0.250 0.000 1.153 991 Y CA -0.242 57.730 58.100 -0.214 0.000 1.165 991 Y CB 0.651 38.999 38.460 -0.185 0.000 1.235 991 Y HN -0.122 nan 8.280 nan 0.000 0.559 992 L N 1.083 122.193 121.223 -0.189 0.000 3.025 992 L HA 0.354 4.695 4.340 0.001 0.000 0.307 992 L C -0.663 176.120 176.870 -0.144 0.000 1.303 992 L CA -0.073 54.656 54.840 -0.186 0.000 0.817 992 L CB 0.611 42.500 42.059 -0.283 0.000 1.227 992 L HN 0.005 nan 8.230 nan 0.000 0.571 993 E N 1.229 121.350 120.200 -0.131 0.000 2.171 993 E HA 0.825 5.176 4.350 0.001 0.000 0.271 993 E C 0.035 176.589 176.600 -0.077 0.000 0.916 993 E CA -0.276 56.059 56.400 -0.109 0.000 0.774 993 E CB 2.944 32.566 29.700 -0.131 0.000 1.128 993 E HN 0.356 nan 8.360 nan 0.000 0.403 994 G N 0.000 108.765 108.800 -0.059 0.000 5.446 994 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 994 G CA 0.000 45.075 45.100 -0.042 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925