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 3ar5_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 0.000 176.264 176.300 -0.060 0.000 1.140 1 M CA 0.000 55.207 55.300 -0.155 0.000 0.988 1 M CB 0.000 32.461 32.600 -0.231 0.000 1.302 2 E N 0.744 120.920 120.200 -0.040 0.000 2.077 2 E HA -0.047 4.303 4.350 0.001 0.000 0.193 2 E C 1.617 178.242 176.600 0.042 0.000 0.989 2 E CA 1.653 58.067 56.400 0.022 0.000 0.800 2 E CB 0.016 29.734 29.700 0.030 0.000 0.746 2 E HN 0.675 nan 8.360 nan 0.000 0.452 3 A N 0.590 123.379 122.820 -0.051 0.000 2.310 3 A HA 0.448 4.769 4.320 0.001 0.000 0.230 3 A C 1.970 179.397 177.584 -0.262 0.000 1.294 3 A CA 0.639 52.603 52.037 -0.120 0.000 0.898 3 A CB -0.680 18.226 19.000 -0.157 0.000 0.917 3 A HN 0.221 nan 8.150 nan 0.000 0.491 4 A N 1.058 123.807 122.820 -0.118 0.000 1.927 4 A HA -0.278 4.042 4.320 0.001 0.000 0.220 4 A C 2.023 179.534 177.584 -0.122 0.000 1.185 4 A CA 1.874 53.852 52.037 -0.098 0.000 0.639 4 A CB -1.050 17.951 19.000 0.003 0.000 0.820 4 A HN 0.921 nan 8.150 nan 0.000 0.451 5 H N -0.063 118.994 119.070 -0.023 0.000 2.457 5 H HA -0.072 4.485 4.556 0.001 0.000 0.297 5 H C 1.742 177.059 175.328 -0.019 0.000 1.092 5 H CA 1.751 57.788 56.048 -0.018 0.000 1.309 5 H CB -0.731 29.033 29.762 0.003 0.000 1.382 5 H HN 0.584 nan 8.280 nan 0.000 0.535 6 S N -0.063 115.208 115.700 -0.715 0.000 2.575 6 S HA 0.145 4.615 4.470 0.001 0.000 0.215 6 S C 0.554 175.023 174.600 -0.217 0.000 0.966 6 S CA -0.593 57.368 58.200 -0.398 0.000 0.911 6 S CB 0.387 63.323 63.200 -0.441 0.000 0.780 6 S HN 0.096 nan 8.310 nan 0.000 0.514 7 K N 2.604 122.890 120.400 -0.191 0.000 2.123 7 K HA 0.493 4.813 4.320 0.001 0.000 0.248 7 K C 0.376 176.934 176.600 -0.069 0.000 0.969 7 K CA -0.387 55.828 56.287 -0.120 0.000 0.882 7 K CB 1.407 33.830 32.500 -0.128 0.000 1.080 7 K HN 0.365 nan 8.250 nan 0.000 0.441 8 S N -0.802 114.871 115.700 -0.045 0.000 2.624 8 S HA 0.046 4.517 4.470 0.001 0.000 0.263 8 S C 1.420 176.015 174.600 -0.008 0.000 1.287 8 S CA 0.131 58.317 58.200 -0.024 0.000 0.990 8 S CB 0.437 63.626 63.200 -0.018 0.000 0.950 8 S HN 0.628 nan 8.310 nan 0.000 0.561 9 T N -0.573 113.983 114.554 0.002 0.000 2.708 9 T HA -0.149 4.202 4.350 0.001 0.000 0.266 9 T C 1.357 176.074 174.700 0.029 0.000 1.037 9 T CA 1.588 63.698 62.100 0.018 0.000 1.146 9 T CB -0.934 67.942 68.868 0.014 0.000 0.865 9 T HN 0.689 nan 8.240 nan 0.000 0.435 10 E N 1.674 121.886 120.200 0.019 0.000 2.049 10 E HA -0.138 4.212 4.350 0.001 0.000 0.198 10 E C 2.327 178.948 176.600 0.035 0.000 1.007 10 E CA 1.677 58.092 56.400 0.025 0.000 0.809 10 E CB -0.351 29.357 29.700 0.013 0.000 0.749 10 E HN 0.700 nan 8.360 nan 0.000 0.450 11 E N -0.530 119.683 120.200 0.021 0.000 2.204 11 E HA -0.158 4.192 4.350 0.001 0.000 0.195 11 E C 1.893 178.519 176.600 0.044 0.000 0.990 11 E CA 0.983 57.395 56.400 0.020 0.000 0.821 11 E CB -0.076 29.616 29.700 -0.015 0.000 0.750 11 E HN 0.298 nan 8.360 nan 0.000 0.477 12 C N 0.144 119.478 119.300 0.056 0.000 2.486 12 C HA 0.015 4.476 4.460 0.001 0.000 0.279 12 C C 2.478 177.608 174.990 0.232 0.000 1.302 12 C CA 0.097 59.184 59.018 0.114 0.000 1.720 12 C CB -0.694 27.114 27.740 0.113 0.000 2.030 12 C HN 0.403 nan 8.230 nan 0.000 0.490 13 L N 1.256 122.582 121.223 0.171 0.000 2.046 13 L HA -0.152 4.189 4.340 0.001 0.000 0.208 13 L C 2.884 179.856 176.870 0.171 0.000 1.077 13 L CA 1.663 56.610 54.840 0.178 0.000 0.747 13 L CB -0.732 41.388 42.059 0.103 0.000 0.896 13 L HN 0.336 nan 8.230 nan 0.000 0.432 14 A N -0.773 122.119 122.820 0.121 0.000 1.902 14 A HA -0.288 4.032 4.320 0.001 0.000 0.217 14 A C 2.197 179.836 177.584 0.091 0.000 1.181 14 A CA 1.516 53.607 52.037 0.089 0.000 0.623 14 A CB -0.933 18.103 19.000 0.059 0.000 0.818 14 A HN 0.461 nan 8.150 nan 0.000 0.443 15 Y N -0.682 119.584 120.300 -0.056 0.000 2.165 15 Y HA -0.229 4.321 4.550 0.001 0.000 0.286 15 Y C 1.620 177.404 175.900 -0.194 0.000 1.155 15 Y CA 2.094 60.077 58.100 -0.194 0.000 1.164 15 Y CB -0.317 37.915 38.460 -0.380 0.000 0.978 15 Y HN 0.279 nan 8.280 nan 0.000 0.513 16 F N -0.071 119.966 119.950 0.146 0.000 2.797 16 F HA 0.268 4.796 4.527 0.001 0.000 0.302 16 F C 1.808 177.668 175.800 0.100 0.000 1.130 16 F CA 0.626 58.700 58.000 0.123 0.000 1.387 16 F CB -0.306 38.836 39.000 0.238 0.000 1.107 16 F HN 0.111 nan 8.300 nan 0.000 0.577 17 G N 1.566 110.480 108.800 0.190 0.000 2.295 17 G HA2 -0.195 3.765 3.960 0.001 0.000 0.287 17 G HA3 -0.195 3.765 3.960 0.001 0.000 0.287 17 G C -0.296 174.681 174.900 0.129 0.000 1.055 17 G CA 0.400 45.573 45.100 0.122 0.000 0.922 17 G HN 0.347 nan 8.290 nan 0.000 0.503 18 V N -0.392 119.610 119.914 0.148 0.000 2.680 18 V HA 0.845 4.965 4.120 0.001 0.000 0.309 18 V C 0.471 176.605 176.094 0.068 0.000 1.052 18 V CA 0.017 62.376 62.300 0.098 0.000 0.908 18 V CB 2.055 33.938 31.823 0.100 0.000 1.001 18 V HN 1.010 nan 8.190 nan 0.000 0.431 19 S N 3.510 119.232 115.700 0.037 0.000 2.475 19 S HA 0.246 4.716 4.470 0.001 0.000 0.281 19 S C 1.000 175.605 174.600 0.009 0.000 1.198 19 S CA 0.347 58.559 58.200 0.021 0.000 1.063 19 S CB 1.182 64.387 63.200 0.008 0.000 0.972 19 S HN 0.996 nan 8.310 nan 0.000 0.486 20 E N 2.827 123.029 120.200 0.002 0.000 2.160 20 E HA -0.177 4.174 4.350 0.001 0.000 0.195 20 E C 1.471 178.034 176.600 -0.061 0.000 0.991 20 E CA 1.931 58.320 56.400 -0.018 0.000 0.810 20 E CB -0.154 29.534 29.700 -0.020 0.000 0.742 20 E HN 0.891 nan 8.360 nan 0.000 0.466 21 T N -2.902 111.615 114.554 -0.062 0.000 3.057 21 T HA -0.007 4.344 4.350 0.001 0.000 0.254 21 T C 1.893 176.541 174.700 -0.086 0.000 1.094 21 T CA 0.969 63.007 62.100 -0.104 0.000 1.088 21 T CB 0.106 68.926 68.868 -0.081 0.000 0.934 21 T HN 0.245 nan 8.240 nan 0.000 0.497 22 T N -1.536 112.997 114.554 -0.035 0.000 3.046 22 T HA 0.531 4.881 4.350 0.001 0.000 0.242 22 T C 1.453 176.170 174.700 0.029 0.000 1.018 22 T CA 0.634 62.733 62.100 -0.002 0.000 1.131 22 T CB -0.469 68.400 68.868 0.002 0.000 0.904 22 T HN 1.110 nan 8.240 nan 0.000 0.459 23 G N 1.495 110.307 108.800 0.019 0.000 2.698 23 G HA2 -0.081 3.879 3.960 0.001 0.000 0.225 23 G HA3 -0.081 3.879 3.960 0.001 0.000 0.225 23 G C -0.738 174.156 174.900 -0.009 0.000 1.345 23 G CA -0.527 44.586 45.100 0.022 0.000 0.871 23 G HN 0.698 nan 8.290 nan 0.000 0.540 24 L N 1.332 122.528 121.223 -0.045 0.000 2.426 24 L HA 0.456 4.796 4.340 0.001 0.000 0.271 24 L C 1.823 178.654 176.870 -0.066 0.000 1.169 24 L CA 0.061 54.845 54.840 -0.093 0.000 0.836 24 L CB 0.791 42.730 42.059 -0.200 0.000 1.112 24 L HN 1.017 nan 8.230 nan 0.000 0.465 25 T N -0.872 113.645 114.554 -0.061 0.000 2.788 25 T HA 0.234 4.584 4.350 0.001 0.000 0.287 25 T C -1.688 172.986 174.700 -0.044 0.000 1.007 25 T CA -1.548 60.530 62.100 -0.036 0.000 1.005 25 T CB 1.171 70.028 68.868 -0.018 0.000 1.012 25 T HN 0.459 nan 8.240 nan 0.000 0.530 26 P HA 0.006 nan 4.420 nan 0.000 0.222 26 P C 0.951 178.240 177.300 -0.017 0.000 1.153 26 P CA 0.832 63.918 63.100 -0.022 0.000 0.798 26 P CB 0.038 31.732 31.700 -0.011 0.000 0.796 27 D N 0.083 120.477 120.400 -0.010 0.000 2.144 27 D HA -0.165 4.476 4.640 0.001 0.000 0.199 27 D C 2.188 178.493 176.300 0.009 0.000 0.984 27 D CA 1.235 55.237 54.000 0.003 0.000 0.834 27 D CB -0.327 40.479 40.800 0.010 0.000 0.955 27 D HN 0.124 nan 8.370 nan 0.000 0.465 28 Q N -0.477 119.308 119.800 -0.025 0.000 2.050 28 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 28 Q C 2.387 178.307 176.000 -0.134 0.000 0.980 28 Q CA 1.116 56.873 55.803 -0.077 0.000 0.840 28 Q CB 0.035 28.652 28.738 -0.201 0.000 0.898 28 Q HN 0.201 nan 8.270 nan 0.000 0.424 29 V N 1.603 121.440 119.914 -0.128 0.000 2.255 29 V HA -0.328 3.792 4.120 0.001 0.000 0.247 29 V C 2.344 178.440 176.094 0.004 0.000 1.051 29 V CA 2.155 64.405 62.300 -0.082 0.000 1.018 29 V CB -0.634 31.152 31.823 -0.063 0.000 0.641 29 V HN 0.375 nan 8.190 nan 0.000 0.445 30 K N -0.128 120.276 120.400 0.007 0.000 2.063 30 K HA -0.239 4.082 4.320 0.001 0.000 0.208 30 K C 2.368 178.993 176.600 0.041 0.000 1.048 30 K CA 1.821 58.119 56.287 0.018 0.000 0.928 30 K CB -0.133 32.375 32.500 0.013 0.000 0.713 30 K HN 0.354 nan 8.250 nan 0.000 0.442 31 R N -0.734 119.815 120.500 0.082 0.000 2.075 31 R HA -0.059 4.282 4.340 0.001 0.000 0.232 31 R C 2.392 178.766 176.300 0.124 0.000 1.126 31 R CA 1.566 57.724 56.100 0.096 0.000 0.963 31 R CB -0.289 30.088 30.300 0.128 0.000 0.858 31 R HN 0.462 nan 8.270 nan 0.000 0.435 32 H N -0.362 118.730 119.070 0.036 0.000 2.389 32 H HA -0.095 4.461 4.556 0.001 0.000 0.299 32 H C 1.922 177.314 175.328 0.107 0.000 1.081 32 H CA 0.779 56.913 56.048 0.144 0.000 1.345 32 H CB 0.210 30.105 29.762 0.222 0.000 1.393 32 H HN 0.054 nan 8.280 nan 0.000 0.520 33 L N 1.499 122.805 121.223 0.138 0.000 2.056 33 L HA -0.131 4.210 4.340 0.001 0.000 0.207 33 L C 2.261 179.098 176.870 -0.056 0.000 1.078 33 L CA 1.602 56.432 54.840 -0.016 0.000 0.749 33 L CB -0.653 41.349 42.059 -0.095 0.000 0.901 33 L HN 0.199 nan 8.230 nan 0.000 0.433 34 E N -0.933 119.244 120.200 -0.038 0.000 2.106 34 E HA -0.259 4.092 4.350 0.001 0.000 0.192 34 E C 2.179 178.716 176.600 -0.105 0.000 0.984 34 E CA 1.063 57.431 56.400 -0.054 0.000 0.806 34 E CB 0.073 29.750 29.700 -0.038 0.000 0.750 34 E HN 0.422 nan 8.360 nan 0.000 0.458 35 K N -0.642 119.634 120.400 -0.206 0.000 2.044 35 K HA -0.112 4.209 4.320 0.001 0.000 0.204 35 K C 1.199 177.551 176.600 -0.414 0.000 1.049 35 K CA 1.093 57.126 56.287 -0.423 0.000 0.945 35 K CB 0.073 32.112 32.500 -0.768 0.000 0.724 35 K HN 0.134 nan 8.250 nan 0.000 0.440 36 Y N 0.034 120.340 120.300 0.011 0.000 2.449 36 Y HA 0.291 4.841 4.550 0.001 0.000 0.254 36 Y C 0.941 176.853 175.900 0.020 0.000 1.140 36 Y CA 0.217 58.333 58.100 0.027 0.000 1.272 36 Y CB 0.606 39.094 38.460 0.047 0.000 1.114 36 Y HN 0.318 nan 8.280 nan 0.000 0.525 37 G N 0.203 109.060 108.800 0.095 0.000 2.828 37 G HA2 -0.223 3.737 3.960 0.001 0.000 0.463 37 G HA3 -0.223 3.737 3.960 0.001 0.000 0.463 37 G C -0.594 174.322 174.900 0.028 0.000 1.394 37 G CA -0.669 44.471 45.100 0.067 0.000 0.862 37 G HN 0.358 nan 8.290 nan 0.000 0.540 38 H N 0.029 119.146 119.070 0.078 0.000 2.607 38 H HA 0.244 4.801 4.556 0.001 0.000 0.367 38 H C 0.875 176.242 175.328 0.065 0.000 1.181 38 H CA 0.376 56.464 56.048 0.066 0.000 1.402 38 H CB 0.904 30.694 29.762 0.047 0.000 1.474 38 H HN 0.489 nan 8.280 nan 0.000 0.596 39 N N 1.974 120.775 118.700 0.168 0.000 2.807 39 N HA 0.001 4.742 4.740 0.001 0.000 0.259 39 N C -1.067 174.503 175.510 0.100 0.000 1.149 39 N CA -0.202 52.912 53.050 0.106 0.000 1.042 39 N CB -0.224 38.305 38.487 0.069 0.000 1.367 39 N HN 0.645 nan 8.380 nan 0.000 0.516 40 E N 1.228 121.488 120.200 0.099 0.000 2.388 40 E HA 0.210 4.561 4.350 0.001 0.000 0.281 40 E C -1.228 175.412 176.600 0.067 0.000 1.046 40 E CA -0.881 55.563 56.400 0.074 0.000 0.825 40 E CB 0.471 30.208 29.700 0.062 0.000 1.243 40 E HN 0.069 nan 8.360 nan 0.000 0.438 41 L N 1.927 123.182 121.223 0.054 0.000 2.426 41 L HA 0.352 4.693 4.340 0.001 0.000 0.271 41 L C -1.765 175.128 176.870 0.039 0.000 1.169 41 L CA -1.852 53.016 54.840 0.046 0.000 0.836 41 L CB -0.219 41.865 42.059 0.042 0.000 1.112 41 L HN 0.454 nan 8.230 nan 0.000 0.465 42 P HA 0.039 nan 4.420 nan 0.000 0.267 42 P C -0.496 176.816 177.300 0.021 0.000 1.200 42 P CA -0.306 62.811 63.100 0.030 0.000 0.772 42 P CB 0.594 32.311 31.700 0.029 0.000 0.855 43 A N 2.556 125.385 122.820 0.015 0.000 2.406 43 A HA 0.193 4.513 4.320 0.001 0.000 0.243 43 A C 0.596 178.186 177.584 0.009 0.000 1.082 43 A CA -0.492 51.551 52.037 0.009 0.000 0.786 43 A CB -0.348 18.655 19.000 0.004 0.000 1.029 43 A HN 0.676 nan 8.150 nan 0.000 0.495 44 E N 1.428 121.632 120.200 0.007 0.000 2.398 44 E HA 0.132 4.482 4.350 0.001 0.000 0.263 44 E C -0.500 176.103 176.600 0.006 0.000 1.046 44 E CA -0.321 56.082 56.400 0.005 0.000 0.908 44 E CB 0.412 30.114 29.700 0.002 0.000 0.963 44 E HN 0.562 nan 8.360 nan 0.000 0.431 45 E N 1.894 122.097 120.200 0.006 0.000 2.585 45 E HA -0.025 4.326 4.350 0.001 0.000 0.252 45 E C 0.022 176.627 176.600 0.008 0.000 0.981 45 E CA 0.249 56.654 56.400 0.007 0.000 0.943 45 E CB 0.369 30.072 29.700 0.005 0.000 0.923 45 E HN 0.629 nan 8.360 nan 0.000 0.486 46 G N 4.452 113.259 108.800 0.012 0.000 2.428 46 G HA2 -0.056 3.905 3.960 0.001 0.000 0.293 46 G HA3 -0.056 3.905 3.960 0.001 0.000 0.293 46 G C -0.031 174.880 174.900 0.019 0.000 1.059 46 G CA -0.148 44.961 45.100 0.016 0.000 1.194 46 G HN 0.343 nan 8.290 nan 0.000 0.435 47 K N 2.732 123.141 120.400 0.014 0.000 2.250 47 K HA 0.285 4.606 4.320 0.001 0.000 0.280 47 K C 0.938 177.553 176.600 0.024 0.000 1.098 47 K CA -0.455 55.840 56.287 0.013 0.000 0.916 47 K CB 0.385 32.885 32.500 -0.001 0.000 1.209 47 K HN 0.542 nan 8.250 nan 0.000 0.461 48 S N 3.471 119.196 115.700 0.042 0.000 2.600 48 S HA 0.002 4.473 4.470 0.001 0.000 0.265 48 S C 1.197 175.843 174.600 0.076 0.000 1.325 48 S CA -0.678 57.565 58.200 0.070 0.000 1.002 48 S CB 0.839 64.105 63.200 0.110 0.000 0.921 48 S HN 0.656 nan 8.310 nan 0.000 0.554 49 L N 2.023 123.309 121.223 0.104 0.000 2.056 49 L HA 0.064 4.405 4.340 0.001 0.000 0.207 49 L C 2.110 179.077 176.870 0.161 0.000 1.078 49 L CA 1.767 56.673 54.840 0.111 0.000 0.749 49 L CB -1.018 41.111 42.059 0.116 0.000 0.901 49 L HN 0.931 nan 8.230 nan 0.000 0.433 50 W N 0.786 122.099 121.300 0.022 0.000 2.355 50 W HA -0.212 4.449 4.660 0.001 0.000 0.309 50 W C 1.947 178.486 176.519 0.033 0.000 1.206 50 W CA 1.718 59.082 57.345 0.031 0.000 1.284 50 W CB -0.052 29.427 29.460 0.031 0.000 1.145 50 W HN 0.283 nan 8.180 nan 0.000 0.502 51 E N 0.429 120.603 120.200 -0.043 0.000 2.265 51 E HA -0.247 4.103 4.350 0.001 0.000 0.196 51 E C 1.933 178.437 176.600 -0.160 0.000 0.996 51 E CA 1.255 57.562 56.400 -0.155 0.000 0.832 51 E CB -0.261 29.427 29.700 -0.020 0.000 0.756 51 E HN 0.223 nan 8.360 nan 0.000 0.491 52 L N -0.407 120.754 121.223 -0.103 0.000 2.253 52 L HA -0.000 4.340 4.340 0.001 0.000 0.205 52 L C 1.995 178.782 176.870 -0.139 0.000 1.078 52 L CA 0.785 55.569 54.840 -0.094 0.000 0.805 52 L CB 0.157 42.193 42.059 -0.040 0.000 0.963 52 L HN -0.126 nan 8.230 nan 0.000 0.459 53 V N 0.218 120.049 119.914 -0.139 0.000 2.343 53 V HA -0.260 3.860 4.120 0.001 0.000 0.247 53 V C 2.513 178.444 176.094 -0.272 0.000 1.051 53 V CA 1.553 63.752 62.300 -0.168 0.000 1.036 53 V CB -0.560 31.253 31.823 -0.018 0.000 0.654 53 V HN 0.346 nan 8.190 nan 0.000 0.451 54 I N 0.007 120.359 120.570 -0.364 0.000 2.286 54 I HA -0.207 3.964 4.170 0.001 0.000 0.248 54 I C 2.485 178.503 176.117 -0.165 0.000 1.115 54 I CA 1.453 62.575 61.300 -0.296 0.000 1.392 54 I CB -1.302 36.382 38.000 -0.528 0.000 1.065 54 I HN 0.466 nan 8.210 nan 0.000 0.418 55 E N 0.370 120.461 120.200 -0.181 0.000 2.160 55 E HA -0.240 4.110 4.350 0.001 0.000 0.195 55 E C 2.092 178.605 176.600 -0.145 0.000 0.991 55 E CA 0.878 57.202 56.400 -0.127 0.000 0.810 55 E CB 0.007 29.642 29.700 -0.108 0.000 0.742 55 E HN 0.510 nan 8.360 nan 0.000 0.466 56 Q N -0.368 119.279 119.800 -0.255 0.000 2.181 56 Q HA -0.138 4.203 4.340 0.001 0.000 0.205 56 Q C 1.301 177.092 176.000 -0.348 0.000 0.980 56 Q CA 1.103 56.688 55.803 -0.362 0.000 0.862 56 Q CB -0.265 28.133 28.738 -0.568 0.000 0.905 56 Q HN 0.319 nan 8.270 nan 0.000 0.429 57 F N 0.572 120.482 119.950 -0.068 0.000 2.701 57 F HA 0.165 4.693 4.527 0.001 0.000 0.295 57 F C 1.475 177.245 175.800 -0.050 0.000 1.165 57 F CA -0.186 57.781 58.000 -0.055 0.000 1.399 57 F CB 0.061 39.020 39.000 -0.068 0.000 0.996 57 F HN 0.074 nan 8.300 nan 0.000 0.513 58 E N -0.818 119.426 120.200 0.073 0.000 2.307 58 E HA -0.052 4.298 4.350 0.001 0.000 0.195 58 E C 0.675 177.297 176.600 0.038 0.000 0.975 58 E CA -0.093 56.331 56.400 0.040 0.000 0.878 58 E CB 0.234 29.934 29.700 0.001 0.000 0.845 58 E HN 0.158 nan 8.360 nan 0.000 0.488 59 D N 1.293 121.715 120.400 0.037 0.000 2.450 59 D HA -0.081 4.560 4.640 0.001 0.000 0.247 59 D C 1.169 177.499 176.300 0.049 0.000 1.162 59 D CA 0.121 54.143 54.000 0.037 0.000 0.879 59 D CB 1.106 41.926 40.800 0.034 0.000 1.163 59 D HN 0.126 nan 8.370 nan 0.000 0.472 60 L N 4.234 125.478 121.223 0.035 0.000 2.043 60 L HA -0.230 4.111 4.340 0.001 0.000 0.212 60 L C 2.308 179.196 176.870 0.031 0.000 1.075 60 L CA 1.030 55.885 54.840 0.026 0.000 0.752 60 L CB -0.019 42.045 42.059 0.008 0.000 0.891 60 L HN 0.583 nan 8.230 nan 0.000 0.432 61 L N -1.059 120.187 121.223 0.038 0.000 2.156 61 L HA -0.147 4.194 4.340 0.001 0.000 0.208 61 L C 2.558 179.466 176.870 0.064 0.000 1.095 61 L CA 1.041 55.906 54.840 0.043 0.000 0.770 61 L CB -0.590 41.504 42.059 0.059 0.000 0.914 61 L HN 0.313 nan 8.230 nan 0.000 0.439 62 V N -2.109 117.855 119.914 0.083 0.000 2.667 62 V HA -0.168 3.953 4.120 0.001 0.000 0.252 62 V C 2.458 178.628 176.094 0.126 0.000 1.065 62 V CA 1.112 63.486 62.300 0.124 0.000 1.083 62 V CB -0.512 31.407 31.823 0.160 0.000 0.692 62 V HN 0.347 nan 8.190 nan 0.000 0.468 63 R N -0.158 120.397 120.500 0.092 0.000 2.062 63 R HA -0.005 4.336 4.340 0.001 0.000 0.231 63 R C 2.391 178.712 176.300 0.035 0.000 1.136 63 R CA 2.018 58.151 56.100 0.055 0.000 0.948 63 R CB -0.386 29.939 30.300 0.041 0.000 0.845 63 R HN 0.455 nan 8.270 nan 0.000 0.430 64 I N 1.299 121.889 120.570 0.034 0.000 2.151 64 I HA -0.303 3.868 4.170 0.001 0.000 0.243 64 I C 2.379 178.520 176.117 0.040 0.000 1.080 64 I CA 1.605 62.923 61.300 0.029 0.000 1.339 64 I CB -1.159 36.853 38.000 0.019 0.000 1.039 64 I HN 0.248 nan 8.210 nan 0.000 0.409 65 L N -0.246 121.008 121.223 0.052 0.000 2.083 65 L HA -0.224 4.116 4.340 0.001 0.000 0.209 65 L C 2.600 179.499 176.870 0.048 0.000 1.083 65 L CA 0.866 55.741 54.840 0.059 0.000 0.752 65 L CB -0.488 41.616 42.059 0.076 0.000 0.899 65 L HN 0.246 nan 8.230 nan 0.000 0.433 66 L N -0.279 120.961 121.223 0.029 0.000 2.072 66 L HA -0.173 4.167 4.340 0.001 0.000 0.205 66 L C 2.272 179.139 176.870 -0.004 0.000 1.079 66 L CA 1.415 56.241 54.840 -0.025 0.000 0.752 66 L CB -0.421 41.570 42.059 -0.114 0.000 0.906 66 L HN 0.137 nan 8.230 nan 0.000 0.436 67 L N -0.098 121.134 121.223 0.016 0.000 2.046 67 L HA -0.084 4.256 4.340 0.001 0.000 0.208 67 L C 2.457 179.366 176.870 0.064 0.000 1.077 67 L CA 2.140 57.002 54.840 0.037 0.000 0.747 67 L CB -1.067 41.016 42.059 0.040 0.000 0.896 67 L HN 0.217 nan 8.230 nan 0.000 0.432 68 A N -0.285 122.574 122.820 0.065 0.000 1.933 68 A HA -0.083 4.238 4.320 0.001 0.000 0.218 68 A C 2.472 180.110 177.584 0.091 0.000 1.175 68 A CA 1.750 53.836 52.037 0.082 0.000 0.628 68 A CB -1.195 17.848 19.000 0.072 0.000 0.814 68 A HN 0.631 nan 8.150 nan 0.000 0.444 69 A N -0.993 121.872 122.820 0.075 0.000 1.933 69 A HA -0.180 4.141 4.320 0.001 0.000 0.218 69 A C 2.288 179.954 177.584 0.136 0.000 1.175 69 A CA 1.741 53.828 52.037 0.083 0.000 0.628 69 A CB -1.202 17.818 19.000 0.033 0.000 0.814 69 A HN 0.609 nan 8.150 nan 0.000 0.444 70 C N -0.437 118.937 119.300 0.123 0.000 2.457 70 C HA -0.011 4.450 4.460 0.001 0.000 0.278 70 C C 2.508 177.602 174.990 0.173 0.000 1.309 70 C CA 0.565 59.692 59.018 0.181 0.000 1.735 70 C CB -1.001 26.810 27.740 0.119 0.000 1.992 70 C HN 0.579 nan 8.230 nan 0.000 0.493 71 I N 1.086 121.731 120.570 0.125 0.000 2.252 71 I HA -0.120 4.050 4.170 0.001 0.000 0.245 71 I C 2.691 178.869 176.117 0.101 0.000 1.102 71 I CA 1.555 62.915 61.300 0.099 0.000 1.385 71 I CB -1.748 36.349 38.000 0.161 0.000 1.064 71 I HN 0.312 nan 8.210 nan 0.000 0.414 72 S N 0.688 116.464 115.700 0.127 0.000 2.382 72 S HA -0.196 4.275 4.470 0.001 0.000 0.228 72 S C 2.058 176.736 174.600 0.129 0.000 1.027 72 S CA 1.028 59.295 58.200 0.112 0.000 0.991 72 S CB -0.406 62.862 63.200 0.113 0.000 0.823 72 S HN 0.364 nan 8.310 nan 0.000 0.469 73 F N 2.046 122.016 119.950 0.033 0.000 2.128 73 F HA 0.064 4.591 4.527 0.001 0.000 0.295 73 F C 2.171 178.034 175.800 0.106 0.000 1.100 73 F CA 1.122 59.160 58.000 0.063 0.000 1.260 73 F CB -0.940 38.146 39.000 0.143 0.000 1.009 73 F HN 0.048 nan 8.300 nan 0.000 0.476 74 V N 0.237 120.151 119.914 0.000 0.000 2.392 74 V HA -0.281 3.840 4.120 0.001 0.000 0.249 74 V C 2.395 178.465 176.094 -0.040 0.000 1.059 74 V CA 1.475 63.727 62.300 -0.081 0.000 1.051 74 V CB -0.649 31.132 31.823 -0.071 0.000 0.658 74 V HN 0.274 nan 8.190 nan 0.000 0.455 75 L N -0.001 121.205 121.223 -0.028 0.000 2.109 75 L HA 0.057 4.398 4.340 0.001 0.000 0.207 75 L C 2.583 179.425 176.870 -0.047 0.000 1.086 75 L CA 1.998 56.837 54.840 -0.003 0.000 0.760 75 L CB -1.469 40.605 42.059 0.024 0.000 0.910 75 L HN 0.287 nan 8.230 nan 0.000 0.437 76 A N -1.512 121.186 122.820 -0.203 0.000 1.978 76 A HA -0.248 4.073 4.320 0.001 0.000 0.220 76 A C 2.135 179.489 177.584 -0.384 0.000 1.170 76 A CA 1.390 53.114 52.037 -0.521 0.000 0.636 76 A CB -0.801 17.502 19.000 -1.161 0.000 0.810 76 A HN 0.555 nan 8.150 nan 0.000 0.448 77 W N -0.587 120.521 121.300 -0.320 0.000 2.487 77 W HA 0.084 4.744 4.660 0.001 0.000 0.320 77 W C 0.387 176.892 176.519 -0.024 0.000 1.149 77 W CA 0.415 57.729 57.345 -0.051 0.000 1.342 77 W CB -1.161 28.242 29.460 -0.095 0.000 1.200 77 W HN 0.208 nan 8.180 nan 0.000 0.464 78 F N 2.825 122.857 119.950 0.137 0.000 2.670 78 F HA 0.043 4.571 4.527 0.001 0.000 0.345 78 F C 0.623 176.437 175.800 0.023 0.000 1.303 78 F CA 0.939 58.946 58.000 0.012 0.000 1.172 78 F CB -0.584 38.350 39.000 -0.110 0.000 1.602 78 F HN -0.128 nan 8.300 nan 0.000 0.679 79 E N 1.543 121.783 120.200 0.067 0.000 2.431 79 E HA 0.343 4.694 4.350 0.001 0.000 0.268 79 E C -0.937 175.677 176.600 0.022 0.000 0.953 79 E CA -0.702 55.737 56.400 0.065 0.000 0.810 79 E CB 1.692 31.422 29.700 0.050 0.000 1.369 79 E HN 0.286 nan 8.360 nan 0.000 0.440 80 E N 0.151 120.374 120.200 0.038 0.000 3.117 80 E HA 0.353 4.704 4.350 0.001 0.000 0.262 80 E C -0.669 175.951 176.600 0.033 0.000 1.202 80 E CA -0.283 56.133 56.400 0.027 0.000 0.853 80 E CB 1.273 30.991 29.700 0.031 0.000 1.426 80 E HN 0.653 nan 8.360 nan 0.000 0.387 81 G N 1.348 110.165 108.800 0.028 0.000 3.198 81 G HA2 0.201 4.161 3.960 0.001 0.000 0.166 81 G HA3 0.201 4.161 3.960 0.001 0.000 0.166 81 G C 0.245 175.159 174.900 0.023 0.000 1.134 81 G CA -0.056 45.062 45.100 0.029 0.000 0.941 81 G HN 0.261 nan 8.290 nan 0.000 0.639 82 E N -0.243 119.971 120.200 0.024 0.000 2.626 82 E HA 0.070 4.420 4.350 0.001 0.000 0.198 82 E C -0.728 175.886 176.600 0.023 0.000 0.943 82 E CA 0.168 56.580 56.400 0.020 0.000 1.515 82 E CB -0.067 29.641 29.700 0.013 0.000 1.677 82 E HN 0.363 nan 8.360 nan 0.000 0.897 83 E N 1.934 122.149 120.200 0.025 0.000 2.220 83 E HA 0.122 4.472 4.350 0.001 0.000 0.272 83 E C 0.589 177.214 176.600 0.042 0.000 1.099 83 E CA 0.534 56.948 56.400 0.023 0.000 0.907 83 E CB 1.326 31.036 29.700 0.016 0.000 1.022 83 E HN 0.118 nan 8.360 nan 0.000 0.428 84 T N 2.139 116.714 114.554 0.036 0.000 2.985 84 T HA -0.065 4.285 4.350 0.001 0.000 0.266 84 T C 1.422 176.166 174.700 0.074 0.000 1.076 84 T CA 0.572 62.706 62.100 0.057 0.000 1.135 84 T CB -0.041 68.833 68.868 0.010 0.000 0.890 84 T HN 0.460 nan 8.240 nan 0.000 0.480 85 I N 0.647 121.236 120.570 0.031 0.000 2.333 85 I HA 0.093 4.264 4.170 0.001 0.000 0.246 85 I C 2.476 178.612 176.117 0.031 0.000 1.106 85 I CA 1.371 62.680 61.300 0.014 0.000 1.411 85 I CB -0.601 37.383 38.000 -0.026 0.000 1.082 85 I HN 0.139 nan 8.210 nan 0.000 0.420 86 T N -0.100 114.467 114.554 0.021 0.000 3.007 86 T HA 0.022 4.373 4.350 0.001 0.000 0.270 86 T C 1.737 176.449 174.700 0.020 0.000 1.107 86 T CA 1.146 63.248 62.100 0.003 0.000 1.118 86 T CB -0.248 68.615 68.868 -0.008 0.000 0.889 86 T HN 0.474 nan 8.240 nan 0.000 0.506 87 A N 0.113 122.971 122.820 0.063 0.000 1.850 87 A HA 0.245 4.566 4.320 0.001 0.000 0.212 87 A C 1.563 179.119 177.584 -0.046 0.000 1.208 87 A CA 0.657 52.695 52.037 0.001 0.000 0.609 87 A CB -0.768 18.230 19.000 -0.003 0.000 0.860 87 A HN 0.534 nan 8.150 nan 0.000 0.448 88 F N 0.046 120.030 119.950 0.056 0.000 2.795 88 F HA 0.059 4.586 4.527 0.001 0.000 0.303 88 F C 1.846 177.715 175.800 0.115 0.000 1.186 88 F CA 0.004 58.075 58.000 0.119 0.000 1.415 88 F CB -0.002 39.073 39.000 0.124 0.000 1.106 88 F HN -0.005 nan 8.300 nan 0.000 0.558 89 V N -0.047 119.958 119.914 0.152 0.000 2.244 89 V HA -0.290 3.830 4.120 0.001 0.000 0.244 89 V C 2.444 178.612 176.094 0.123 0.000 1.042 89 V CA 2.200 64.549 62.300 0.083 0.000 1.006 89 V CB -0.482 31.323 31.823 -0.030 0.000 0.641 89 V HN 0.379 nan 8.190 nan 0.000 0.446 90 E N 0.817 121.064 120.200 0.077 0.000 2.048 90 E HA -0.241 4.110 4.350 0.001 0.000 0.202 90 E C -0.277 176.402 176.600 0.132 0.000 1.021 90 E CA 2.324 58.775 56.400 0.085 0.000 0.825 90 E CB -0.918 28.815 29.700 0.055 0.000 0.756 90 E HN 0.506 nan 8.360 nan 0.000 0.454 91 P HA -0.132 nan 4.420 nan 0.000 0.223 91 P C 1.203 178.596 177.300 0.155 0.000 1.151 91 P CA 0.979 64.178 63.100 0.164 0.000 0.787 91 P CB -0.214 31.629 31.700 0.238 0.000 0.788 92 F N 0.939 120.936 119.950 0.079 0.000 2.146 92 F HA -0.155 4.372 4.527 0.001 0.000 0.298 92 F C 2.204 178.033 175.800 0.048 0.000 1.096 92 F CA 1.105 59.136 58.000 0.053 0.000 1.275 92 F CB -0.521 38.515 39.000 0.059 0.000 1.008 92 F HN -0.322 nan 8.300 nan 0.000 0.480 93 V N 0.965 121.048 119.914 0.282 0.000 2.255 93 V HA -0.350 3.771 4.120 0.001 0.000 0.247 93 V C 2.312 178.475 176.094 0.114 0.000 1.051 93 V CA 2.297 64.718 62.300 0.201 0.000 1.018 93 V CB -0.790 31.135 31.823 0.169 0.000 0.641 93 V HN 0.326 nan 8.190 nan 0.000 0.445 94 I N -0.531 120.095 120.570 0.093 0.000 2.163 94 I HA -0.292 3.878 4.170 0.001 0.000 0.243 94 I C 2.474 178.608 176.117 0.029 0.000 1.085 94 I CA 1.710 63.051 61.300 0.069 0.000 1.347 94 I CB -0.439 37.603 38.000 0.070 0.000 1.044 94 I HN 0.244 nan 8.210 nan 0.000 0.408 95 L N 0.322 121.526 121.223 -0.032 0.000 2.012 95 L HA -0.250 4.091 4.340 0.001 0.000 0.210 95 L C 2.562 179.364 176.870 -0.114 0.000 1.073 95 L CA 1.477 56.251 54.840 -0.111 0.000 0.748 95 L CB -0.204 41.700 42.059 -0.257 0.000 0.891 95 L HN 0.271 nan 8.230 nan 0.000 0.431 96 L N -0.678 120.455 121.223 -0.150 0.000 2.083 96 L HA -0.236 4.104 4.340 0.001 0.000 0.209 96 L C 2.351 179.227 176.870 0.010 0.000 1.083 96 L CA 1.401 56.190 54.840 -0.086 0.000 0.752 96 L CB -0.118 41.943 42.059 0.003 0.000 0.899 96 L HN 0.189 nan 8.230 nan 0.000 0.433 97 I N -0.497 120.098 120.570 0.041 0.000 2.179 97 I HA -0.341 3.830 4.170 0.001 0.000 0.242 97 I C 2.321 178.475 176.117 0.060 0.000 1.088 97 I CA 1.417 62.752 61.300 0.058 0.000 1.357 97 I CB -0.264 37.779 38.000 0.072 0.000 1.051 97 I HN 0.241 nan 8.210 nan 0.000 0.409 98 L N 0.110 121.385 121.223 0.087 0.000 2.083 98 L HA -0.223 4.117 4.340 0.001 0.000 0.209 98 L C 2.426 179.368 176.870 0.119 0.000 1.083 98 L CA 1.459 56.395 54.840 0.160 0.000 0.752 98 L CB -0.401 41.831 42.059 0.290 0.000 0.899 98 L HN 0.223 nan 8.230 nan 0.000 0.433 99 I N -0.586 120.034 120.570 0.083 0.000 2.233 99 I HA -0.246 3.925 4.170 0.001 0.000 0.243 99 I C 2.795 178.919 176.117 0.011 0.000 1.093 99 I CA 1.046 62.376 61.300 0.050 0.000 1.380 99 I CB -0.527 37.482 38.000 0.016 0.000 1.067 99 I HN 0.181 nan 8.210 nan 0.000 0.413 100 A N 1.113 123.941 122.820 0.013 0.000 1.917 100 A HA -0.315 4.006 4.320 0.001 0.000 0.219 100 A C 2.040 179.626 177.584 0.003 0.000 1.182 100 A CA 2.564 54.606 52.037 0.009 0.000 0.633 100 A CB -1.040 17.972 19.000 0.019 0.000 0.819 100 A HN 0.518 nan 8.150 nan 0.000 0.448 101 N N 0.175 118.874 118.700 -0.001 0.000 2.069 101 N HA -0.128 4.612 4.740 0.001 0.000 0.191 101 N C 1.741 177.212 175.510 -0.065 0.000 1.031 101 N CA 2.314 55.352 53.050 -0.021 0.000 0.852 101 N CB -0.410 38.064 38.487 -0.021 0.000 1.018 101 N HN 0.378 nan 8.380 nan 0.000 0.423 102 A N 0.372 123.119 122.820 -0.122 0.000 1.902 102 A HA -0.060 4.261 4.320 0.001 0.000 0.217 102 A C 2.361 179.906 177.584 -0.067 0.000 1.181 102 A CA 1.270 53.200 52.037 -0.180 0.000 0.623 102 A CB -0.847 17.994 19.000 -0.266 0.000 0.818 102 A HN 0.408 nan 8.150 nan 0.000 0.443 103 I N -0.351 120.206 120.570 -0.021 0.000 2.151 103 I HA -0.282 3.889 4.170 0.001 0.000 0.243 103 I C 2.377 178.535 176.117 0.069 0.000 1.080 103 I CA 1.547 62.856 61.300 0.016 0.000 1.339 103 I CB -0.387 37.613 38.000 0.001 0.000 1.039 103 I HN 0.180 nan 8.210 nan 0.000 0.409 104 V N 0.840 120.800 119.914 0.078 0.000 2.270 104 V HA -0.213 3.907 4.120 0.001 0.000 0.245 104 V C 2.628 178.821 176.094 0.166 0.000 1.043 104 V CA 2.172 64.583 62.300 0.185 0.000 1.014 104 V CB -1.566 30.351 31.823 0.156 0.000 0.645 104 V HN 0.589 nan 8.190 nan 0.000 0.447 105 G N -0.216 108.615 108.800 0.051 0.000 2.503 105 G HA2 -0.242 3.718 3.960 0.001 0.000 0.221 105 G HA3 -0.242 3.718 3.960 0.001 0.000 0.221 105 G C 1.654 176.560 174.900 0.011 0.000 1.131 105 G CA 1.430 46.531 45.100 0.000 0.000 0.756 105 G HN 0.393 nan 8.290 nan 0.000 0.572 106 V N -0.582 119.355 119.914 0.038 0.000 2.379 106 V HA -0.080 4.041 4.120 0.001 0.000 0.245 106 V C 2.240 178.410 176.094 0.125 0.000 1.044 106 V CA 1.563 63.896 62.300 0.054 0.000 1.036 106 V CB -0.525 31.327 31.823 0.048 0.000 0.664 106 V HN 0.649 nan 8.190 nan 0.000 0.453 107 W N 1.332 122.617 121.300 -0.025 0.000 2.321 107 W HA -0.262 4.399 4.660 0.001 0.000 0.306 107 W C 2.345 178.854 176.519 -0.017 0.000 1.217 107 W CA 2.061 59.396 57.345 -0.017 0.000 1.257 107 W CB -0.464 28.988 29.460 -0.015 0.000 1.145 107 W HN 0.304 nan 8.180 nan 0.000 0.509 108 Q N -0.648 119.076 119.800 -0.126 0.000 2.230 108 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 108 Q C 2.064 177.946 176.000 -0.197 0.000 0.963 108 Q CA 1.264 56.874 55.803 -0.321 0.000 0.866 108 Q CB -0.242 28.365 28.738 -0.218 0.000 0.931 108 Q HN 0.381 nan 8.270 nan 0.000 0.452 109 E N 0.665 120.808 120.200 -0.095 0.000 2.122 109 E HA -0.088 4.262 4.350 0.001 0.000 0.190 109 E C 1.900 178.470 176.600 -0.049 0.000 0.977 109 E CA 0.340 56.701 56.400 -0.065 0.000 0.820 109 E CB 0.036 29.713 29.700 -0.038 0.000 0.770 109 E HN 0.198 nan 8.360 nan 0.000 0.462 110 R N 0.948 121.435 120.500 -0.020 0.000 2.148 110 R HA -0.038 4.303 4.340 0.001 0.000 0.227 110 R C 1.347 177.631 176.300 -0.026 0.000 1.103 110 R CA 0.881 56.983 56.100 0.003 0.000 0.983 110 R CB 0.062 30.396 30.300 0.056 0.000 0.874 110 R HN 0.133 nan 8.270 nan 0.000 0.451 111 N N -0.006 118.638 118.700 -0.092 0.000 2.299 111 N HA 0.051 4.791 4.740 0.001 0.000 0.187 111 N C -0.168 175.261 175.510 -0.136 0.000 1.099 111 N CA 0.134 53.105 53.050 -0.131 0.000 0.867 111 N CB 0.692 39.025 38.487 -0.256 0.000 0.974 111 N HN 0.099 nan 8.380 nan 0.000 0.477 112 A N 2.106 124.851 122.820 -0.124 0.000 2.498 112 A HA 0.085 4.406 4.320 0.001 0.000 0.239 112 A C 0.245 177.788 177.584 -0.067 0.000 1.068 112 A CA 0.115 52.092 52.037 -0.101 0.000 0.766 112 A CB 0.119 19.067 19.000 -0.088 0.000 1.003 112 A HN 0.310 nan 8.150 nan 0.000 0.497 113 E N 1.540 121.704 120.200 -0.060 0.000 2.199 113 E HA 0.458 4.809 4.350 0.001 0.000 0.265 113 E C -0.991 175.589 176.600 -0.034 0.000 0.882 113 E CA -0.899 55.476 56.400 -0.041 0.000 0.759 113 E CB 1.159 30.836 29.700 -0.039 0.000 1.148 113 E HN 0.725 nan 8.360 nan 0.000 0.412 114 N N 1.360 120.045 118.700 -0.024 0.000 2.417 114 N HA 0.428 5.169 4.740 0.001 0.000 0.300 114 N C 0.413 175.917 175.510 -0.009 0.000 1.102 114 N CA -0.345 52.694 53.050 -0.019 0.000 0.886 114 N CB 1.884 40.360 38.487 -0.018 0.000 1.203 114 N HN 0.447 nan 8.380 nan 0.000 0.496 115 A N 2.222 125.038 122.820 -0.006 0.000 1.877 115 A HA -0.097 4.223 4.320 0.001 0.000 0.216 115 A C 1.893 179.485 177.584 0.014 0.000 1.186 115 A CA 1.167 53.206 52.037 0.004 0.000 0.620 115 A CB -1.139 17.860 19.000 -0.001 0.000 0.822 115 A HN 0.797 nan 8.150 nan 0.000 0.443 116 I N -0.183 120.392 120.570 0.008 0.000 2.194 116 I HA -0.262 3.909 4.170 0.001 0.000 0.246 116 I C 2.297 178.426 176.117 0.021 0.000 1.093 116 I CA 1.435 62.744 61.300 0.014 0.000 1.355 116 I CB -0.261 37.744 38.000 0.008 0.000 1.046 116 I HN 0.270 nan 8.210 nan 0.000 0.413 117 E N 0.553 120.760 120.200 0.012 0.000 2.274 117 E HA -0.092 4.258 4.350 0.001 0.000 0.194 117 E C 2.231 178.838 176.600 0.011 0.000 0.996 117 E CA 1.104 57.510 56.400 0.009 0.000 0.840 117 E CB -0.145 29.554 29.700 -0.001 0.000 0.772 117 E HN 0.516 nan 8.360 nan 0.000 0.491 118 A N 0.614 123.445 122.820 0.018 0.000 2.016 118 A HA -0.024 4.297 4.320 0.001 0.000 0.217 118 A C 2.237 179.858 177.584 0.061 0.000 1.162 118 A CA 0.368 52.417 52.037 0.020 0.000 0.662 118 A CB -0.455 18.560 19.000 0.024 0.000 0.812 118 A HN 0.182 nan 8.150 nan 0.000 0.450 119 L N -0.637 120.648 121.223 0.103 0.000 2.187 119 L HA -0.199 4.141 4.340 0.001 0.000 0.213 119 L C 2.305 179.283 176.870 0.179 0.000 1.100 119 L CA 1.386 56.342 54.840 0.193 0.000 0.765 119 L CB -0.319 41.809 42.059 0.117 0.000 0.904 119 L HN 0.337 nan 8.230 nan 0.000 0.437 120 K N -0.200 120.244 120.400 0.074 0.000 2.362 120 K HA -0.192 4.128 4.320 0.001 0.000 0.200 120 K C 1.898 178.492 176.600 -0.010 0.000 1.046 120 K CA 0.594 56.906 56.287 0.041 0.000 0.952 120 K CB -0.031 32.480 32.500 0.019 0.000 0.753 120 K HN 0.293 nan 8.250 nan 0.000 0.466 121 E N 0.218 120.364 120.200 -0.090 0.000 2.273 121 E HA -0.217 4.134 4.350 0.001 0.000 0.198 121 E C 0.620 177.031 176.600 -0.315 0.000 1.002 121 E CA 1.264 57.510 56.400 -0.256 0.000 0.828 121 E CB 0.060 29.504 29.700 -0.428 0.000 0.747 121 E HN 0.479 nan 8.360 nan 0.000 0.491 122 Y N 0.742 121.046 120.300 0.008 0.000 2.457 122 Y HA 0.141 4.692 4.550 0.001 0.000 0.263 122 Y C 0.023 175.933 175.900 0.017 0.000 1.164 122 Y CA -0.207 57.901 58.100 0.013 0.000 1.274 122 Y CB 0.542 39.010 38.460 0.014 0.000 1.097 122 Y HN 0.005 nan 8.280 nan 0.000 0.523 123 E N 2.617 122.886 120.200 0.115 0.000 2.146 123 E HA 0.263 4.613 4.350 0.001 0.000 0.282 123 E C -2.646 173.979 176.600 0.042 0.000 0.989 123 E CA -2.273 54.173 56.400 0.078 0.000 0.799 123 E CB 0.775 30.514 29.700 0.065 0.000 1.088 123 E HN 0.014 nan 8.360 nan 0.000 0.397 124 P HA 0.033 nan 4.420 nan 0.000 0.276 124 P C 0.154 177.463 177.300 0.016 0.000 1.252 124 P CA -0.347 62.767 63.100 0.022 0.000 0.802 124 P CB 1.535 33.251 31.700 0.026 0.000 1.035 125 E N 0.228 120.431 120.200 0.006 0.000 2.107 125 E HA -0.031 4.319 4.350 0.001 0.000 0.191 125 E C 0.195 176.798 176.600 0.005 0.000 0.982 125 E CA 0.899 57.301 56.400 0.004 0.000 0.809 125 E CB 0.106 29.805 29.700 -0.002 0.000 0.756 125 E HN 0.323 nan 8.360 nan 0.000 0.459 126 M N -0.355 119.246 119.600 0.002 0.000 2.644 126 M HA 0.547 5.028 4.480 0.001 0.000 0.304 126 M C 0.133 176.430 176.300 -0.005 0.000 1.215 126 M CA -0.688 54.610 55.300 -0.004 0.000 0.871 126 M CB 1.668 34.262 32.600 -0.010 0.000 1.740 126 M HN 0.038 nan 8.290 nan 0.000 0.464 127 G N 0.900 109.692 108.800 -0.014 0.000 2.695 127 G HA2 0.698 4.658 3.960 0.001 0.000 0.290 127 G HA3 0.698 4.658 3.960 0.001 0.000 0.290 127 G C -1.704 173.169 174.900 -0.046 0.000 1.410 127 G CA -0.758 44.328 45.100 -0.022 0.000 0.844 127 G HN 0.540 nan 8.290 nan 0.000 0.478 128 K N -0.008 120.355 120.400 -0.063 0.000 2.274 128 K HA 0.632 4.953 4.320 0.001 0.000 0.262 128 K C -0.369 176.151 176.600 -0.134 0.000 0.961 128 K CA -0.730 55.488 56.287 -0.114 0.000 0.833 128 K CB 2.327 34.752 32.500 -0.126 0.000 1.102 128 K HN 0.574 nan 8.250 nan 0.000 0.436 129 V N -0.295 119.513 119.914 -0.177 0.000 3.001 129 V HA 0.543 4.663 4.120 0.001 0.000 0.314 129 V C -1.356 174.579 176.094 -0.264 0.000 1.099 129 V CA -1.032 61.178 62.300 -0.149 0.000 0.989 129 V CB 1.114 32.895 31.823 -0.071 0.000 1.040 129 V HN 0.587 nan 8.190 nan 0.000 0.434 130 Y N 1.872 122.155 120.300 -0.028 0.000 2.335 130 Y HA 0.763 5.314 4.550 0.001 0.000 0.339 130 Y C 0.616 176.496 175.900 -0.033 0.000 0.987 130 Y CA -0.350 57.735 58.100 -0.025 0.000 1.140 130 Y CB 1.565 40.013 38.460 -0.020 0.000 1.173 130 Y HN 0.576 nan 8.280 nan 0.000 0.486 131 R N 1.031 121.584 120.500 0.088 0.000 2.740 131 R HA 0.598 4.938 4.340 0.001 0.000 0.282 131 R C 0.729 177.053 176.300 0.040 0.000 0.969 131 R CA -0.528 55.593 56.100 0.036 0.000 0.918 131 R CB 1.734 32.031 30.300 -0.005 0.000 1.175 131 R HN 0.822 nan 8.270 nan 0.000 0.464 132 A N 1.727 124.558 122.820 0.019 0.000 1.997 132 A HA -0.270 4.050 4.320 0.001 0.000 0.221 132 A C 1.290 178.884 177.584 0.016 0.000 1.172 132 A CA 2.347 54.394 52.037 0.016 0.000 0.645 132 A CB -0.684 18.317 19.000 0.003 0.000 0.813 132 A HN 0.912 nan 8.150 nan 0.000 0.454 133 D N -1.705 118.701 120.400 0.010 0.000 2.378 133 D HA 0.019 4.660 4.640 0.001 0.000 0.222 133 D C 0.828 177.136 176.300 0.013 0.000 0.980 133 D CA 0.658 54.663 54.000 0.008 0.000 0.907 133 D CB -0.040 40.761 40.800 0.002 0.000 0.899 133 D HN 0.470 nan 8.370 nan 0.000 0.527 134 R N -1.486 119.028 120.500 0.024 0.000 2.680 134 R HA 0.272 4.612 4.340 0.001 0.000 0.269 134 R C 0.221 176.555 176.300 0.057 0.000 1.026 134 R CA -0.844 55.274 56.100 0.029 0.000 0.889 134 R CB 1.466 31.776 30.300 0.017 0.000 1.241 134 R HN -0.156 nan 8.270 nan 0.000 0.463 135 K N 0.945 121.379 120.400 0.057 0.000 2.044 135 K HA 0.044 4.364 4.320 0.001 0.000 0.204 135 K C 0.486 177.174 176.600 0.147 0.000 1.049 135 K CA 1.466 57.801 56.287 0.081 0.000 0.945 135 K CB 0.018 32.549 32.500 0.052 0.000 0.724 135 K HN 0.522 nan 8.250 nan 0.000 0.440 136 S N 0.036 115.799 115.700 0.105 0.000 2.617 136 S HA 0.220 4.690 4.470 0.001 0.000 0.269 136 S C 0.048 174.657 174.600 0.014 0.000 1.292 136 S CA -0.856 57.411 58.200 0.111 0.000 1.010 136 S CB 1.414 64.642 63.200 0.047 0.000 0.944 136 S HN 0.081 nan 8.310 nan 0.000 0.536 137 V N 3.122 122.947 119.914 -0.148 0.000 2.540 137 V HA 0.161 4.282 4.120 0.001 0.000 0.297 137 V C 0.150 176.067 176.094 -0.295 0.000 1.024 137 V CA 0.104 62.038 62.300 -0.610 0.000 1.105 137 V CB 0.153 31.517 31.823 -0.766 0.000 0.938 137 V HN 0.962 nan 8.190 nan 0.000 0.482 138 Q N 6.761 126.400 119.800 -0.269 0.000 2.322 138 Q HA 0.502 4.842 4.340 0.001 0.000 0.265 138 Q C -0.384 175.540 176.000 -0.128 0.000 0.985 138 Q CA -0.896 54.820 55.803 -0.145 0.000 0.849 138 Q CB 1.378 30.062 28.738 -0.090 0.000 1.274 138 Q HN 0.845 nan 8.270 nan 0.000 0.449 139 R N 3.090 123.536 120.500 -0.091 0.000 2.248 139 R HA 0.496 4.837 4.340 0.001 0.000 0.328 139 R C -0.365 175.908 176.300 -0.046 0.000 1.067 139 R CA -0.293 55.766 56.100 -0.068 0.000 0.924 139 R CB 0.069 30.337 30.300 -0.054 0.000 1.013 139 R HN 0.781 nan 8.270 nan 0.000 0.454 140 I N -1.679 118.867 120.570 -0.041 0.000 3.170 140 I HA 0.498 4.669 4.170 0.001 0.000 0.312 140 I C -0.625 175.487 176.117 -0.010 0.000 1.085 140 I CA -1.639 59.648 61.300 -0.022 0.000 0.999 140 I CB 1.836 39.825 38.000 -0.019 0.000 1.233 140 I HN 0.378 nan 8.210 nan 0.000 0.467 141 K N 2.026 122.428 120.400 0.004 0.000 2.368 141 K HA 0.243 4.563 4.320 0.001 0.000 0.282 141 K C 1.000 177.613 176.600 0.022 0.000 1.035 141 K CA 0.396 56.690 56.287 0.013 0.000 0.973 141 K CB 1.442 33.954 32.500 0.019 0.000 0.957 141 K HN 0.825 nan 8.250 nan 0.000 0.474 142 A N 4.624 127.456 122.820 0.020 0.000 1.915 142 A HA -0.293 4.027 4.320 0.001 0.000 0.220 142 A C 2.063 179.675 177.584 0.047 0.000 1.198 142 A CA 2.244 54.298 52.037 0.027 0.000 0.647 142 A CB -0.591 18.426 19.000 0.028 0.000 0.825 142 A HN 0.943 nan 8.150 nan 0.000 0.456 143 R N -0.912 119.625 120.500 0.061 0.000 2.200 143 R HA -0.130 4.210 4.340 0.001 0.000 0.234 143 R C 0.329 176.735 176.300 0.178 0.000 1.127 143 R CA 1.760 57.925 56.100 0.107 0.000 0.989 143 R CB -0.538 29.808 30.300 0.076 0.000 0.869 143 R HN 0.394 nan 8.270 nan 0.000 0.459 144 D N 0.717 121.193 120.400 0.127 0.000 2.339 144 D HA 0.162 4.802 4.640 0.001 0.000 0.217 144 D C 0.574 176.897 176.300 0.038 0.000 1.050 144 D CA 0.090 54.156 54.000 0.110 0.000 0.856 144 D CB 0.204 41.057 40.800 0.088 0.000 0.922 144 D HN 0.254 nan 8.370 nan 0.000 0.518 145 I N 1.573 122.160 120.570 0.029 0.000 2.692 145 I HA -0.004 4.166 4.170 0.001 0.000 0.284 145 I C 0.537 176.653 176.117 -0.002 0.000 1.159 145 I CA -0.192 61.107 61.300 -0.002 0.000 1.423 145 I CB 0.931 38.927 38.000 -0.007 0.000 1.380 145 I HN -0.225 nan 8.210 nan 0.000 0.580 146 V N 3.507 123.405 119.914 -0.026 0.000 3.102 146 V HA 0.628 4.748 4.120 0.001 0.000 0.312 146 V C -2.764 173.260 176.094 -0.117 0.000 1.135 146 V CA -2.759 59.536 62.300 -0.010 0.000 1.022 146 V CB 1.373 33.250 31.823 0.090 0.000 1.056 146 V HN 0.447 nan 8.190 nan 0.000 0.436 147 P HA 0.352 nan 4.420 nan 0.000 0.267 147 P C 0.997 177.827 177.300 -0.783 0.000 1.200 147 P CA 1.926 64.718 63.100 -0.513 0.000 0.772 147 P CB 0.798 32.105 31.700 -0.656 0.000 0.855 148 G N 1.376 109.346 108.800 -1.384 0.000 2.299 148 G HA2 -0.217 3.744 3.960 0.001 0.000 0.237 148 G HA3 -0.217 3.744 3.960 0.001 0.000 0.237 148 G C 0.150 174.813 174.900 -0.395 0.000 1.027 148 G CA -0.166 44.262 45.100 -1.120 0.000 0.619 148 G HN 0.535 nan 8.290 nan 0.000 0.513 149 D N 1.495 121.720 120.400 -0.293 0.000 2.525 149 D HA 0.214 4.854 4.640 0.001 0.000 0.235 149 D C 1.010 177.255 176.300 -0.092 0.000 1.137 149 D CA 0.220 54.129 54.000 -0.152 0.000 0.868 149 D CB 0.384 41.117 40.800 -0.111 0.000 1.180 149 D HN 0.180 nan 8.370 nan 0.000 0.465 150 I N 4.001 124.556 120.570 -0.025 0.000 2.379 150 I HA 0.053 4.223 4.170 0.001 0.000 0.290 150 I C 0.635 176.793 176.117 0.068 0.000 1.063 150 I CA -0.360 60.963 61.300 0.038 0.000 1.351 150 I CB 0.171 38.223 38.000 0.087 0.000 1.410 150 I HN 0.025 nan 8.210 nan 0.000 0.505 151 V N 3.557 123.499 119.914 0.047 0.000 2.919 151 V HA 0.686 4.806 4.120 0.001 0.000 0.316 151 V C -0.451 175.684 176.094 0.069 0.000 1.077 151 V CA -0.789 61.530 62.300 0.033 0.000 0.977 151 V CB 2.494 34.312 31.823 -0.009 0.000 1.039 151 V HN 0.786 nan 8.190 nan 0.000 0.441 152 E N 1.419 121.645 120.200 0.043 0.000 2.210 152 E HA 0.690 5.041 4.350 0.001 0.000 0.266 152 E C -1.216 175.396 176.600 0.019 0.000 0.883 152 E CA -0.795 55.644 56.400 0.066 0.000 0.761 152 E CB 2.274 32.034 29.700 0.100 0.000 1.156 152 E HN 1.044 nan 8.360 nan 0.000 0.412 153 V N 0.387 120.314 119.914 0.023 0.000 2.864 153 V HA 1.026 5.146 4.120 0.001 0.000 0.314 153 V C -0.619 175.484 176.094 0.015 0.000 1.073 153 V CA -0.603 61.703 62.300 0.011 0.000 0.956 153 V CB 1.355 33.181 31.823 0.005 0.000 1.023 153 V HN 0.753 nan 8.190 nan 0.000 0.435 154 A N 2.175 125.002 122.820 0.012 0.000 2.566 154 A HA 0.812 5.133 4.320 0.001 0.000 0.292 154 A C -0.336 177.255 177.584 0.013 0.000 1.112 154 A CA -0.456 51.589 52.037 0.014 0.000 0.707 154 A CB 1.762 20.770 19.000 0.014 0.000 1.302 154 A HN 2.083 nan 8.150 nan 0.000 0.409 155 V N 1.421 121.343 119.914 0.014 0.000 2.678 155 V HA 0.334 4.454 4.120 0.001 0.000 0.304 155 V C 1.437 177.540 176.094 0.015 0.000 1.086 155 V CA 2.742 65.051 62.300 0.015 0.000 1.246 155 V CB 0.194 32.026 31.823 0.015 0.000 0.861 155 V HN 2.682 nan 8.190 nan 0.000 0.491 156 G N 4.289 113.100 108.800 0.017 0.000 2.217 156 G HA2 -0.204 3.756 3.960 0.001 0.000 0.246 156 G HA3 -0.204 3.756 3.960 0.001 0.000 0.246 156 G C 0.003 174.914 174.900 0.019 0.000 0.990 156 G CA 0.202 45.313 45.100 0.017 0.000 0.627 156 G HN 0.798 nan 8.290 nan 0.000 0.522 157 D N 0.906 121.317 120.400 0.018 0.000 2.382 157 D HA 0.380 5.020 4.640 0.001 0.000 0.245 157 D C 0.577 176.894 176.300 0.029 0.000 1.120 157 D CA 0.206 54.217 54.000 0.018 0.000 0.890 157 D CB 1.009 41.816 40.800 0.013 0.000 1.201 157 D HN 0.389 nan 8.370 nan 0.000 0.433 158 K N 1.773 122.193 120.400 0.033 0.000 2.276 158 K HA 0.211 4.531 4.320 0.001 0.000 0.285 158 K C -0.684 175.945 176.600 0.047 0.000 1.062 158 K CA -0.657 55.661 56.287 0.051 0.000 0.918 158 K CB 0.598 33.133 32.500 0.058 0.000 1.055 158 K HN 0.133 nan 8.250 nan 0.000 0.477 159 V N 8.055 128.001 119.914 0.053 0.000 2.557 159 V HA -0.017 4.104 4.120 0.001 0.000 0.301 159 V C -1.312 174.811 176.094 0.049 0.000 1.026 159 V CA -0.656 61.669 62.300 0.042 0.000 1.137 159 V CB 0.841 32.689 31.823 0.041 0.000 0.917 159 V HN 0.882 nan 8.190 nan 0.000 0.484 160 P HA 0.268 nan 4.420 nan 0.000 0.245 160 P C 0.089 177.409 177.300 0.034 0.000 1.199 160 P CA 0.690 63.810 63.100 0.033 0.000 0.807 160 P CB 0.852 32.562 31.700 0.016 0.000 1.002 161 A N -0.595 122.241 122.820 0.026 0.000 2.581 161 A HA 0.527 4.848 4.320 0.001 0.000 0.290 161 A C -1.645 175.954 177.584 0.026 0.000 1.119 161 A CA -0.533 51.519 52.037 0.025 0.000 0.670 161 A CB 0.193 19.192 19.000 -0.001 0.000 1.280 161 A HN -0.244 nan 8.150 nan 0.000 0.425 162 D N 0.945 121.365 120.400 0.034 0.000 2.336 162 D HA 0.540 5.181 4.640 0.001 0.000 0.249 162 D C -0.674 175.617 176.300 -0.016 0.000 1.213 162 D CA 0.859 54.878 54.000 0.032 0.000 0.870 162 D CB 0.392 41.248 40.800 0.092 0.000 1.076 162 D HN 0.384 nan 8.370 nan 0.000 0.483 163 I N 1.992 122.525 120.570 -0.061 0.000 2.509 163 I HA 0.302 4.473 4.170 0.001 0.000 0.293 163 I C 0.111 176.185 176.117 -0.071 0.000 1.020 163 I CA -1.149 60.117 61.300 -0.056 0.000 1.088 163 I CB 1.877 39.846 38.000 -0.052 0.000 1.267 163 I HN 0.006 nan 8.210 nan 0.000 0.430 164 R N 6.685 127.167 120.500 -0.029 0.000 2.221 164 R HA 0.478 4.818 4.340 0.001 0.000 0.327 164 R C -1.052 175.236 176.300 -0.020 0.000 1.033 164 R CA -0.163 55.924 56.100 -0.021 0.000 0.887 164 R CB 0.299 30.610 30.300 0.018 0.000 1.057 164 R HN 0.515 nan 8.270 nan 0.000 0.455 165 I N 6.644 127.194 120.570 -0.033 0.000 2.533 165 I HA -0.044 4.126 4.170 0.001 0.000 0.284 165 I C 0.980 177.096 176.117 -0.002 0.000 1.109 165 I CA 0.180 61.467 61.300 -0.022 0.000 1.412 165 I CB 0.655 38.636 38.000 -0.031 0.000 1.396 165 I HN 0.659 nan 8.210 nan 0.000 0.543 166 L N 3.945 125.170 121.223 0.003 0.000 2.200 166 L HA 0.141 4.481 4.340 0.001 0.000 0.200 166 L C 0.873 177.746 176.870 0.006 0.000 1.072 166 L CA 0.761 55.606 54.840 0.008 0.000 0.787 166 L CB 0.058 42.123 42.059 0.010 0.000 0.957 166 L HN 0.627 nan 8.230 nan 0.000 0.459 167 S N -0.573 115.130 115.700 0.004 0.000 2.603 167 S HA 0.488 4.958 4.470 0.001 0.000 0.274 167 S C -0.977 173.627 174.600 0.007 0.000 1.168 167 S CA -0.592 57.611 58.200 0.004 0.000 0.963 167 S CB 1.080 64.276 63.200 -0.005 0.000 1.078 167 S HN 0.063 nan 8.310 nan 0.000 0.477 168 I N 5.500 126.077 120.570 0.011 0.000 2.304 168 I HA 0.379 4.550 4.170 0.001 0.000 0.291 168 I C 0.902 177.027 176.117 0.012 0.000 1.018 168 I CA -0.572 60.735 61.300 0.011 0.000 1.260 168 I CB 1.286 39.294 38.000 0.013 0.000 1.390 168 I HN 0.527 nan 8.210 nan 0.000 0.475 169 K N 3.496 123.904 120.400 0.013 0.000 2.400 169 K HA 0.096 4.417 4.320 0.001 0.000 0.194 169 K C 0.839 177.448 176.600 0.014 0.000 1.033 169 K CA 0.273 56.568 56.287 0.013 0.000 1.021 169 K CB 0.017 32.527 32.500 0.018 0.000 0.808 169 K HN 0.697 nan 8.250 nan 0.000 0.505 170 S N -0.691 115.019 115.700 0.016 0.000 2.745 170 S HA 0.255 4.726 4.470 0.001 0.000 0.292 170 S C 1.313 175.925 174.600 0.020 0.000 1.127 170 S CA -0.524 57.687 58.200 0.018 0.000 1.007 170 S CB 0.995 64.206 63.200 0.018 0.000 1.165 170 S HN 0.028 nan 8.310 nan 0.000 0.544 171 T N 1.354 115.922 114.554 0.023 0.000 2.770 171 T HA 0.111 4.461 4.350 0.001 0.000 0.263 171 T C 0.989 175.711 174.700 0.037 0.000 1.039 171 T CA 1.474 63.591 62.100 0.028 0.000 1.142 171 T CB -0.732 68.156 68.868 0.033 0.000 0.868 171 T HN 0.972 nan 8.240 nan 0.000 0.435 172 T N -0.420 114.154 114.554 0.034 0.000 2.901 172 T HA 0.683 5.034 4.350 0.001 0.000 0.293 172 T C -1.361 173.345 174.700 0.011 0.000 1.084 172 T CA -1.079 61.038 62.100 0.029 0.000 1.008 172 T CB 2.003 70.896 68.868 0.042 0.000 1.170 172 T HN 0.049 nan 8.240 nan 0.000 0.509 173 L N 1.422 122.638 121.223 -0.013 0.000 2.319 173 L HA 0.643 4.984 4.340 0.001 0.000 0.281 173 L C -0.451 176.402 176.870 -0.028 0.000 1.005 173 L CA -0.532 54.296 54.840 -0.020 0.000 0.828 173 L CB 1.021 43.061 42.059 -0.032 0.000 1.227 173 L HN 0.624 nan 8.230 nan 0.000 0.415 174 R N 4.136 124.633 120.500 -0.005 0.000 2.514 174 R HA 0.782 5.123 4.340 0.001 0.000 0.301 174 R C -1.504 174.803 176.300 0.010 0.000 0.962 174 R CA -0.790 55.313 56.100 0.006 0.000 0.882 174 R CB 2.265 32.578 30.300 0.020 0.000 1.143 174 R HN 0.458 nan 8.270 nan 0.000 0.452 175 V N 1.790 121.715 119.914 0.018 0.000 2.709 175 V HA 0.115 4.236 4.120 0.001 0.000 0.308 175 V C -0.655 175.466 176.094 0.045 0.000 1.062 175 V CA -0.945 61.372 62.300 0.028 0.000 0.901 175 V CB 2.423 34.258 31.823 0.021 0.000 1.003 175 V HN 0.600 nan 8.190 nan 0.000 0.425 176 D N 3.091 123.521 120.400 0.049 0.000 2.365 176 D HA 0.270 4.910 4.640 0.001 0.000 0.237 176 D C 0.378 176.716 176.300 0.064 0.000 1.190 176 D CA 0.234 54.266 54.000 0.053 0.000 0.867 176 D CB 1.392 42.222 40.800 0.050 0.000 1.050 176 D HN 0.583 nan 8.370 nan 0.000 0.491 177 Q N 1.427 121.266 119.800 0.066 0.000 2.217 177 Q HA 0.021 4.361 4.340 0.001 0.000 0.217 177 Q C 1.813 177.822 176.000 0.015 0.000 0.844 177 Q CA -0.093 55.752 55.803 0.070 0.000 0.957 177 Q CB 0.522 29.335 28.738 0.125 0.000 1.127 177 Q HN 0.599 nan 8.270 nan 0.000 0.503 178 S N 1.102 116.812 115.700 0.017 0.000 2.399 178 S HA -0.294 4.176 4.470 0.001 0.000 0.235 178 S C 1.921 176.501 174.600 -0.034 0.000 1.063 178 S CA 1.800 60.000 58.200 0.001 0.000 1.070 178 S CB -0.897 62.312 63.200 0.015 0.000 0.904 178 S HN 0.634 nan 8.310 nan 0.000 0.456 179 I N -1.139 119.395 120.570 -0.060 0.000 2.454 179 I HA -0.022 4.149 4.170 0.001 0.000 0.254 179 I C 2.212 178.227 176.117 -0.171 0.000 1.156 179 I CA 1.478 62.697 61.300 -0.134 0.000 1.433 179 I CB -0.384 37.451 38.000 -0.274 0.000 1.082 179 I HN 0.249 nan 8.210 nan 0.000 0.432 180 L N 0.446 121.570 121.223 -0.164 0.000 2.470 180 L HA 0.118 4.459 4.340 0.001 0.000 0.219 180 L C 2.153 178.913 176.870 -0.183 0.000 1.071 180 L CA 1.193 55.906 54.840 -0.213 0.000 0.850 180 L CB -0.141 41.736 42.059 -0.303 0.000 1.040 180 L HN 0.458 nan 8.230 nan 0.000 0.475 181 T N -5.487 108.996 114.554 -0.118 0.000 2.975 181 T HA 0.230 4.581 4.350 0.001 0.000 0.261 181 T C 1.417 176.095 174.700 -0.037 0.000 0.984 181 T CA 0.504 62.556 62.100 -0.080 0.000 0.911 181 T CB 0.924 69.768 68.868 -0.040 0.000 1.127 181 T HN 0.274 nan 8.240 nan 0.000 0.514 182 G N 1.909 110.688 108.800 -0.034 0.000 2.180 182 G HA2 -0.276 3.685 3.960 0.001 0.000 0.263 182 G HA3 -0.276 3.685 3.960 0.001 0.000 0.263 182 G C -0.235 174.667 174.900 0.003 0.000 0.989 182 G CA 0.274 45.366 45.100 -0.014 0.000 0.692 182 G HN 0.684 nan 8.290 nan 0.000 0.526 183 E N 0.692 120.899 120.200 0.012 0.000 2.217 183 E HA 0.377 4.727 4.350 0.001 0.000 0.279 183 E C 1.607 178.220 176.600 0.022 0.000 1.068 183 E CA 0.209 56.625 56.400 0.025 0.000 0.882 183 E CB 0.609 30.338 29.700 0.049 0.000 1.039 183 E HN 0.454 nan 8.360 nan 0.000 0.418 184 S N 2.094 117.803 115.700 0.015 0.000 2.362 184 S HA -0.048 4.422 4.470 0.001 0.000 0.221 184 S C 1.043 175.654 174.600 0.018 0.000 1.032 184 S CA -0.056 58.152 58.200 0.013 0.000 0.973 184 S CB 0.052 63.255 63.200 0.006 0.000 0.849 184 S HN 0.246 nan 8.310 nan 0.000 0.465 185 V N 4.266 124.190 119.914 0.018 0.000 2.637 185 V HA 0.282 4.402 4.120 0.001 0.000 0.296 185 V C 0.834 176.950 176.094 0.037 0.000 1.046 185 V CA -0.507 61.807 62.300 0.024 0.000 1.066 185 V CB 0.645 32.482 31.823 0.024 0.000 0.968 185 V HN 0.656 nan 8.190 nan 0.000 0.483 186 S N 4.620 120.343 115.700 0.037 0.000 2.558 186 S HA 0.237 4.707 4.470 0.001 0.000 0.293 186 S C -0.235 174.395 174.600 0.050 0.000 1.292 186 S CA -0.493 57.732 58.200 0.042 0.000 1.063 186 S CB 0.674 63.895 63.200 0.036 0.000 0.831 186 S HN 1.211 nan 8.310 nan 0.000 0.499 187 V N 1.221 121.167 119.914 0.053 0.000 2.532 187 V HA 0.666 4.786 4.120 0.001 0.000 0.295 187 V C -0.066 176.045 176.094 0.029 0.000 1.041 187 V CA -1.302 61.035 62.300 0.061 0.000 0.926 187 V CB 0.594 32.465 31.823 0.080 0.000 0.992 187 V HN 0.805 nan 8.190 nan 0.000 0.457 188 I N 3.383 123.969 120.570 0.025 0.000 2.575 188 I HA 0.458 4.628 4.170 0.001 0.000 0.285 188 I C 0.396 176.400 176.117 -0.189 0.000 1.085 188 I CA 0.364 61.626 61.300 -0.062 0.000 1.403 188 I CB 0.632 38.621 38.000 -0.018 0.000 1.409 188 I HN 0.609 nan 8.210 nan 0.000 0.557 189 K N 4.718 124.946 120.400 -0.286 0.000 2.203 189 K HA 0.578 4.898 4.320 0.001 0.000 0.251 189 K C -0.627 175.654 176.600 -0.531 0.000 0.944 189 K CA -0.607 55.495 56.287 -0.308 0.000 0.829 189 K CB 1.046 33.458 32.500 -0.146 0.000 1.125 189 K HN 0.470 nan 8.250 nan 0.000 0.430 190 H N -0.987 118.089 119.070 0.010 0.000 3.024 190 H HA 0.351 4.908 4.556 0.001 0.000 0.305 190 H C 0.327 175.647 175.328 -0.013 0.000 1.506 190 H CA -0.353 55.696 56.048 0.002 0.000 1.324 190 H CB 1.522 31.276 29.762 -0.013 0.000 1.925 190 H HN 0.673 nan 8.280 nan 0.000 0.661 191 T N -3.398 111.233 114.554 0.129 0.000 3.004 191 T HA 0.055 4.405 4.350 0.001 0.000 0.266 191 T C 0.454 175.172 174.700 0.031 0.000 0.986 191 T CA -0.417 61.715 62.100 0.053 0.000 0.902 191 T CB 0.265 69.155 68.868 0.036 0.000 1.118 191 T HN 0.615 nan 8.240 nan 0.000 0.522 192 E N 2.408 122.623 120.200 0.026 0.000 2.373 192 E HA 0.348 4.699 4.350 0.001 0.000 0.263 192 E C -2.681 173.915 176.600 -0.006 0.000 1.073 192 E CA -2.152 54.242 56.400 -0.011 0.000 0.894 192 E CB 0.194 29.862 29.700 -0.053 0.000 1.008 192 E HN 0.097 nan 8.360 nan 0.000 0.420 193 P HA -0.010 nan 4.420 nan 0.000 0.269 193 P C -0.833 176.466 177.300 -0.002 0.000 1.209 193 P CA -0.258 62.832 63.100 -0.018 0.000 0.776 193 P CB 0.618 32.295 31.700 -0.038 0.000 0.876 194 V N 5.630 125.568 119.914 0.040 0.000 2.328 194 V HA 0.173 4.294 4.120 0.001 0.000 0.278 194 V C -1.372 174.770 176.094 0.081 0.000 1.021 194 V CA -1.340 61.011 62.300 0.085 0.000 0.838 194 V CB 1.266 33.191 31.823 0.169 0.000 0.999 194 V HN 0.552 nan 8.190 nan 0.000 0.447 195 P HA -0.077 nan 4.420 nan 0.000 0.217 195 P C 0.440 177.760 177.300 0.034 0.000 1.150 195 P CA 0.695 63.800 63.100 0.007 0.000 0.832 195 P CB 0.186 31.882 31.700 -0.005 0.000 0.787 196 D N 0.605 121.053 120.400 0.080 0.000 2.382 196 D HA 0.007 4.648 4.640 0.001 0.000 0.259 196 D C -1.277 175.140 176.300 0.195 0.000 1.224 196 D CA -1.920 52.138 54.000 0.097 0.000 0.894 196 D CB 0.704 41.552 40.800 0.079 0.000 1.127 196 D HN 0.104 nan 8.370 nan 0.000 0.487 197 P HA -0.081 nan 4.420 nan 0.000 0.226 197 P C 0.944 178.374 177.300 0.216 0.000 1.153 197 P CA 0.365 63.548 63.100 0.139 0.000 0.777 197 P CB 0.458 32.178 31.700 0.032 0.000 0.794 198 R N 0.131 120.715 120.500 0.139 0.000 2.552 198 R HA 0.348 4.688 4.340 0.001 0.000 0.314 198 R C 0.048 176.368 176.300 0.035 0.000 1.041 198 R CA -0.432 55.716 56.100 0.080 0.000 1.076 198 R CB -0.165 30.166 30.300 0.050 0.000 1.290 198 R HN -0.009 nan 8.270 nan 0.000 0.563 199 A N 1.103 123.938 122.820 0.025 0.000 2.561 199 A HA 0.116 4.437 4.320 0.001 0.000 0.234 199 A C 0.829 178.348 177.584 -0.109 0.000 1.055 199 A CA -0.055 51.945 52.037 -0.062 0.000 0.756 199 A CB 0.166 19.095 19.000 -0.118 0.000 0.986 199 A HN 0.214 nan 8.150 nan 0.000 0.505 200 V N 1.403 121.286 119.914 -0.051 0.000 3.051 200 V HA 0.162 4.283 4.120 0.001 0.000 0.306 200 V C 1.128 177.194 176.094 -0.045 0.000 1.083 200 V CA -0.275 61.995 62.300 -0.051 0.000 1.104 200 V CB 0.348 32.160 31.823 -0.018 0.000 1.027 200 V HN 0.838 nan 8.190 nan 0.000 0.483 201 N N 1.204 119.865 118.700 -0.066 0.000 2.205 201 N HA -0.206 4.534 4.740 0.001 0.000 0.186 201 N C 1.648 177.231 175.510 0.122 0.000 1.015 201 N CA 2.045 55.079 53.050 -0.026 0.000 0.862 201 N CB -0.451 37.796 38.487 -0.400 0.000 0.986 201 N HN 0.948 nan 8.380 nan 0.000 0.429 202 Q N 0.302 120.133 119.800 0.051 0.000 2.291 202 Q HA -0.075 4.266 4.340 0.001 0.000 0.205 202 Q C 0.332 176.397 176.000 0.108 0.000 0.970 202 Q CA 1.091 56.951 55.803 0.095 0.000 0.876 202 Q CB 0.213 28.992 28.738 0.069 0.000 0.935 202 Q HN 0.210 nan 8.270 nan 0.000 0.455 203 D N -0.210 120.235 120.400 0.076 0.000 2.350 203 D HA 0.013 4.653 4.640 0.001 0.000 0.213 203 D C -0.217 176.117 176.300 0.058 0.000 1.031 203 D CA 0.411 54.447 54.000 0.060 0.000 0.861 203 D CB 0.306 41.124 40.800 0.030 0.000 0.926 203 D HN 0.121 nan 8.370 nan 0.000 0.520 204 K N 1.432 121.879 120.400 0.078 0.000 2.278 204 K HA 0.132 4.452 4.320 0.001 0.000 0.237 204 K C 0.930 177.554 176.600 0.040 0.000 1.229 204 K CA -0.004 56.317 56.287 0.055 0.000 1.155 204 K CB 0.364 32.914 32.500 0.083 0.000 1.590 204 K HN -0.037 nan 8.250 nan 0.000 0.290 205 K N 0.709 121.141 120.400 0.054 0.000 2.525 205 K HA -0.062 4.258 4.320 0.001 0.000 0.192 205 K C 0.764 177.365 176.600 0.001 0.000 1.029 205 K CA 0.588 56.900 56.287 0.042 0.000 1.029 205 K CB 0.068 32.639 32.500 0.119 0.000 0.814 205 K HN 0.375 nan 8.250 nan 0.000 0.503 206 N N 0.049 118.750 118.700 0.001 0.000 2.214 206 N HA 0.040 4.780 4.740 0.001 0.000 0.214 206 N C -0.174 175.288 175.510 -0.079 0.000 1.132 206 N CA 0.045 53.087 53.050 -0.013 0.000 0.856 206 N CB 0.347 38.849 38.487 0.025 0.000 1.020 206 N HN -0.077 nan 8.380 nan 0.000 0.509 207 M N 0.819 120.309 119.600 -0.182 0.000 2.465 207 M HA 0.453 4.934 4.480 0.001 0.000 0.316 207 M C -0.864 175.100 176.300 -0.561 0.000 1.121 207 M CA -0.655 54.436 55.300 -0.349 0.000 0.934 207 M CB 2.258 34.576 32.600 -0.471 0.000 1.692 207 M HN -0.077 nan 8.290 nan 0.000 0.444 208 L N 2.763 123.707 121.223 -0.465 0.000 2.322 208 L HA 0.562 4.902 4.340 0.001 0.000 0.281 208 L C -1.099 175.518 176.870 -0.422 0.000 1.014 208 L CA -0.458 54.135 54.840 -0.411 0.000 0.815 208 L CB 1.101 43.058 42.059 -0.170 0.000 1.247 208 L HN 0.454 nan 8.230 nan 0.000 0.421 209 F N 0.694 120.642 119.950 -0.004 0.000 2.404 209 F HA 0.287 4.815 4.527 0.001 0.000 0.339 209 F C 0.993 176.789 175.800 -0.007 0.000 1.105 209 F CA -0.554 57.439 58.000 -0.011 0.000 1.087 209 F CB 1.585 40.569 39.000 -0.027 0.000 1.143 209 F HN 0.354 nan 8.300 nan 0.000 0.491 210 S N 1.838 117.644 115.700 0.177 0.000 2.575 210 S HA 0.357 4.828 4.470 0.001 0.000 0.295 210 S C 1.063 175.727 174.600 0.107 0.000 1.267 210 S CA 0.972 59.238 58.200 0.111 0.000 1.074 210 S CB -0.238 63.016 63.200 0.090 0.000 0.829 210 S HN 1.214 nan 8.310 nan 0.000 0.497 211 G N 3.045 111.912 108.800 0.112 0.000 2.213 211 G HA2 -0.242 3.719 3.960 0.001 0.000 0.226 211 G HA3 -0.242 3.719 3.960 0.001 0.000 0.226 211 G C 0.313 175.294 174.900 0.135 0.000 0.992 211 G CA 0.418 45.604 45.100 0.145 0.000 0.632 211 G HN 1.310 nan 8.290 nan 0.000 0.511 212 T N -0.893 113.724 114.554 0.106 0.000 2.849 212 T HA 0.663 5.014 4.350 0.001 0.000 0.276 212 T C -0.156 174.601 174.700 0.094 0.000 0.971 212 T CA -0.312 61.848 62.100 0.099 0.000 0.949 212 T CB 1.796 70.740 68.868 0.126 0.000 1.093 212 T HN 0.196 nan 8.240 nan 0.000 0.545 213 N N 0.447 119.195 118.700 0.079 0.000 2.238 213 N HA 0.369 5.110 4.740 0.001 0.000 0.302 213 N C -0.921 174.616 175.510 0.045 0.000 1.072 213 N CA -0.689 52.398 53.050 0.062 0.000 0.792 213 N CB 1.643 40.168 38.487 0.063 0.000 1.425 213 N HN 0.521 nan 8.380 nan 0.000 0.478 214 I N 1.683 122.273 120.570 0.033 0.000 2.436 214 I HA 0.091 4.261 4.170 0.001 0.000 0.289 214 I C 1.479 177.611 176.117 0.025 0.000 1.083 214 I CA 0.008 61.322 61.300 0.023 0.000 1.372 214 I CB 0.099 38.108 38.000 0.016 0.000 1.408 214 I HN 0.604 nan 8.210 nan 0.000 0.516 215 A N 5.542 128.377 122.820 0.024 0.000 2.044 215 A HA 0.596 4.917 4.320 0.001 0.000 0.213 215 A C 0.965 178.562 177.584 0.021 0.000 1.169 215 A CA 0.788 52.840 52.037 0.025 0.000 0.724 215 A CB 0.218 19.235 19.000 0.027 0.000 0.840 215 A HN 0.801 nan 8.150 nan 0.000 0.463 216 A N -2.283 120.548 122.820 0.019 0.000 2.577 216 A HA 0.640 4.961 4.320 0.001 0.000 0.297 216 A C 0.281 177.874 177.584 0.015 0.000 1.060 216 A CA 0.176 52.224 52.037 0.018 0.000 0.697 216 A CB 0.078 19.092 19.000 0.022 0.000 1.281 216 A HN 2.121 nan 8.150 nan 0.000 0.402 217 G N 0.434 109.244 108.800 0.016 0.000 2.582 217 G HA2 0.348 4.308 3.960 0.001 0.000 0.222 217 G HA3 0.348 4.308 3.960 0.001 0.000 0.222 217 G C -0.486 174.423 174.900 0.015 0.000 1.311 217 G CA 0.074 45.183 45.100 0.015 0.000 0.915 217 G HN 1.624 nan 8.290 nan 0.000 0.528 218 K N -0.747 119.662 120.400 0.015 0.000 2.543 218 K HA 0.749 5.069 4.320 0.001 0.000 0.255 218 K C -0.712 175.899 176.600 0.018 0.000 0.934 218 K CA -0.054 56.245 56.287 0.019 0.000 0.810 218 K CB 1.629 34.144 32.500 0.025 0.000 1.315 218 K HN 2.170 nan 8.250 nan 0.000 0.433 219 A N 3.144 125.977 122.820 0.021 0.000 2.574 219 A HA 0.642 4.962 4.320 0.001 0.000 0.297 219 A C -2.198 175.405 177.584 0.031 0.000 1.062 219 A CA -0.719 51.329 52.037 0.018 0.000 0.686 219 A CB 1.530 20.531 19.000 0.001 0.000 1.285 219 A HN 0.544 nan 8.150 nan 0.000 0.403 220 L N 1.147 122.388 121.223 0.030 0.000 2.325 220 L HA 0.896 5.236 4.340 0.001 0.000 0.278 220 L C 0.472 177.355 176.870 0.021 0.000 1.023 220 L CA 0.604 55.469 54.840 0.043 0.000 0.811 220 L CB 1.823 43.901 42.059 0.031 0.000 1.249 220 L HN 1.152 nan 8.230 nan 0.000 0.431 221 G N 3.731 112.546 108.800 0.024 0.000 2.708 221 G HA2 0.530 4.491 3.960 0.001 0.000 0.289 221 G HA3 0.530 4.491 3.960 0.001 0.000 0.289 221 G C -1.992 172.913 174.900 0.007 0.000 1.416 221 G CA -0.551 44.553 45.100 0.007 0.000 0.829 221 G HN 0.704 nan 8.290 nan 0.000 0.480 222 I N 0.669 121.240 120.570 0.001 0.000 2.433 222 I HA 0.531 4.701 4.170 0.001 0.000 0.292 222 I C -0.417 175.672 176.117 -0.047 0.000 1.001 222 I CA -0.981 60.309 61.300 -0.015 0.000 1.119 222 I CB 1.898 39.920 38.000 0.036 0.000 1.289 222 I HN 0.235 nan 8.210 nan 0.000 0.438 223 V N 8.412 128.252 119.914 -0.125 0.000 2.470 223 V HA 0.178 4.299 4.120 0.001 0.000 0.276 223 V C 1.042 177.043 176.094 -0.156 0.000 1.040 223 V CA 0.656 62.876 62.300 -0.134 0.000 1.008 223 V CB 0.707 32.437 31.823 -0.154 0.000 0.990 223 V HN 0.988 nan 8.190 nan 0.000 0.477 224 A N 4.800 127.604 122.820 -0.026 0.000 1.871 224 A HA 0.248 4.569 4.320 0.001 0.000 0.211 224 A C 1.097 178.711 177.584 0.050 0.000 1.207 224 A CA 1.185 53.273 52.037 0.085 0.000 0.620 224 A CB 0.061 19.104 19.000 0.073 0.000 0.860 224 A HN 0.827 nan 8.150 nan 0.000 0.450 225 T N -3.027 111.527 114.554 0.001 0.000 2.896 225 T HA 0.610 4.961 4.350 0.001 0.000 0.297 225 T C -0.461 174.229 174.700 -0.016 0.000 1.108 225 T CA 0.073 62.164 62.100 -0.014 0.000 1.004 225 T CB 1.652 70.539 68.868 0.031 0.000 1.159 225 T HN 0.692 nan 8.240 nan 0.000 0.499 226 T N -2.262 112.288 114.554 -0.008 0.000 2.838 226 T HA 0.815 5.166 4.350 0.001 0.000 0.292 226 T C 0.990 175.722 174.700 0.052 0.000 1.113 226 T CA -0.006 62.107 62.100 0.021 0.000 1.008 226 T CB 1.061 69.941 68.868 0.020 0.000 1.259 226 T HN 2.091 nan 8.240 nan 0.000 0.520 227 G N 0.395 109.232 108.800 0.063 0.000 2.622 227 G HA2 -0.327 3.633 3.960 0.001 0.000 0.307 227 G HA3 -0.327 3.633 3.960 0.001 0.000 0.307 227 G C 1.120 176.057 174.900 0.062 0.000 1.226 227 G CA 1.803 46.947 45.100 0.072 0.000 0.997 227 G HN 2.120 nan 8.290 nan 0.000 0.551 228 V N -1.917 118.035 119.914 0.063 0.000 3.573 228 V HA 0.359 4.480 4.120 0.001 0.000 0.270 228 V C 2.167 178.289 176.094 0.047 0.000 1.221 228 V CA 2.492 64.822 62.300 0.050 0.000 1.163 228 V CB 0.348 32.199 31.823 0.046 0.000 0.847 228 V HN 0.737 nan 8.190 nan 0.000 0.468 229 S N 0.761 116.494 115.700 0.055 0.000 2.503 229 S HA 0.067 4.537 4.470 0.001 0.000 0.217 229 S C 1.253 175.883 174.600 0.051 0.000 0.999 229 S CA 0.709 58.941 58.200 0.053 0.000 0.914 229 S CB -0.170 63.068 63.200 0.062 0.000 0.782 229 S HN 0.938 nan 8.310 nan 0.000 0.520 230 T N 0.612 115.198 114.554 0.053 0.000 2.698 230 T HA 0.217 4.567 4.350 0.001 0.000 0.295 230 T C 1.015 175.745 174.700 0.049 0.000 1.007 230 T CA -0.386 61.754 62.100 0.067 0.000 0.980 230 T CB 0.460 69.371 68.868 0.072 0.000 1.036 230 T HN -0.099 nan 8.240 nan 0.000 0.526 231 E N -0.242 119.991 120.200 0.055 0.000 2.106 231 E HA -0.027 4.323 4.350 0.001 0.000 0.192 231 E C 1.871 178.436 176.600 -0.058 0.000 0.984 231 E CA 0.750 57.131 56.400 -0.031 0.000 0.806 231 E CB -0.284 29.327 29.700 -0.148 0.000 0.750 231 E HN 0.722 nan 8.360 nan 0.000 0.458 232 I N 0.150 120.699 120.570 -0.035 0.000 2.716 232 I HA -0.038 4.133 4.170 0.001 0.000 0.259 232 I C 2.040 178.150 176.117 -0.011 0.000 1.172 232 I CA 0.835 62.108 61.300 -0.044 0.000 1.478 232 I CB 0.016 37.992 38.000 -0.040 0.000 1.104 232 I HN 0.029 nan 8.210 nan 0.000 0.439 233 G N 0.635 109.442 108.800 0.011 0.000 2.402 233 G HA2 -0.234 3.726 3.960 0.001 0.000 0.216 233 G HA3 -0.234 3.726 3.960 0.001 0.000 0.216 233 G C 1.651 176.556 174.900 0.009 0.000 1.162 233 G CA 0.582 45.694 45.100 0.020 0.000 0.777 233 G HN 0.295 nan 8.290 nan 0.000 0.539 234 K N -0.114 120.287 120.400 0.000 0.000 2.147 234 K HA 0.114 4.435 4.320 0.001 0.000 0.205 234 K C 2.296 178.881 176.600 -0.024 0.000 1.049 234 K CA 0.611 56.893 56.287 -0.009 0.000 0.936 234 K CB -0.164 32.327 32.500 -0.015 0.000 0.722 234 K HN 0.319 nan 8.250 nan 0.000 0.446 235 I N 0.740 121.289 120.570 -0.035 0.000 2.315 235 I HA -0.230 3.940 4.170 0.001 0.000 0.248 235 I C 2.632 178.734 176.117 -0.025 0.000 1.117 235 I CA 0.786 62.060 61.300 -0.043 0.000 1.404 235 I CB -0.104 37.858 38.000 -0.062 0.000 1.071 235 I HN 0.152 nan 8.210 nan 0.000 0.419 236 R N 1.103 121.596 120.500 -0.012 0.000 2.092 236 R HA -0.167 4.173 4.340 0.001 0.000 0.231 236 R C 1.492 177.792 176.300 -0.001 0.000 1.119 236 R CA 1.718 57.818 56.100 -0.000 0.000 0.970 236 R CB -0.419 29.889 30.300 0.013 0.000 0.864 236 R HN 0.292 nan 8.270 nan 0.000 0.440 237 D N 0.857 121.256 120.400 -0.001 0.000 2.117 237 D HA -0.134 4.506 4.640 0.001 0.000 0.198 237 D C 2.066 178.360 176.300 -0.011 0.000 0.982 237 D CA 1.124 55.123 54.000 -0.002 0.000 0.828 237 D CB -0.136 40.666 40.800 0.003 0.000 0.967 237 D HN 0.375 nan 8.370 nan 0.000 0.464 238 Q N -0.170 119.619 119.800 -0.019 0.000 2.084 238 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 238 Q C 2.343 178.328 176.000 -0.025 0.000 0.978 238 Q CA 1.153 56.940 55.803 -0.027 0.000 0.844 238 Q CB -0.118 28.598 28.738 -0.037 0.000 0.898 238 Q HN 0.325 nan 8.270 nan 0.000 0.426 239 M N 0.154 119.740 119.600 -0.022 0.000 2.086 239 M HA -0.178 4.302 4.480 0.001 0.000 0.261 239 M C 2.448 178.739 176.300 -0.015 0.000 1.067 239 M CA 1.492 56.780 55.300 -0.020 0.000 1.116 239 M CB -0.485 32.105 32.600 -0.015 0.000 1.348 239 M HN 0.274 nan 8.290 nan 0.000 0.407 240 A N 0.621 123.435 122.820 -0.010 0.000 1.892 240 A HA -0.134 4.186 4.320 0.001 0.000 0.218 240 A C 2.293 179.871 177.584 -0.010 0.000 1.188 240 A CA 2.203 54.236 52.037 -0.007 0.000 0.631 240 A CB -1.008 17.991 19.000 -0.002 0.000 0.822 240 A HN 0.545 nan 8.150 nan 0.000 0.447 241 A N -1.246 121.566 122.820 -0.013 0.000 2.206 241 A HA 0.267 4.587 4.320 0.001 0.000 0.211 241 A C 1.007 178.579 177.584 -0.020 0.000 1.158 241 A CA 0.912 52.940 52.037 -0.015 0.000 0.761 241 A CB -0.606 18.385 19.000 -0.016 0.000 0.801 241 A HN 0.336 nan 8.150 nan 0.000 0.473 242 T N 1.858 116.399 114.554 -0.022 0.000 2.729 242 T HA 0.306 4.656 4.350 0.001 0.000 0.296 242 T C -0.371 174.316 174.700 -0.022 0.000 0.928 242 T CA -0.026 62.058 62.100 -0.025 0.000 1.045 242 T CB 0.701 69.552 68.868 -0.028 0.000 0.902 242 T HN 0.424 nan 8.240 nan 0.000 0.500 243 E N 3.094 123.281 120.200 -0.022 0.000 2.109 243 E HA 0.181 4.532 4.350 0.001 0.000 0.278 243 E C -0.042 176.546 176.600 -0.020 0.000 0.954 243 E CA -0.517 55.871 56.400 -0.019 0.000 0.779 243 E CB 1.126 30.816 29.700 -0.017 0.000 1.093 243 E HN 0.524 nan 8.360 nan 0.000 0.401 244 Q N 2.163 121.951 119.800 -0.020 0.000 2.259 244 Q HA 0.161 4.501 4.340 0.001 0.000 0.249 244 Q C -0.681 175.308 176.000 -0.018 0.000 0.914 244 Q CA -0.568 55.223 55.803 -0.021 0.000 0.904 244 Q CB 1.194 29.919 28.738 -0.022 0.000 1.213 244 Q HN 0.435 nan 8.270 nan 0.000 0.428 245 D N 1.873 122.262 120.400 -0.018 0.000 2.283 245 D HA 0.140 4.780 4.640 0.001 0.000 0.248 245 D C -0.279 176.012 176.300 -0.015 0.000 1.072 245 D CA -0.288 53.703 54.000 -0.015 0.000 0.929 245 D CB 0.846 41.638 40.800 -0.014 0.000 1.182 245 D HN 0.139 nan 8.370 nan 0.000 0.433 246 K N 0.572 120.965 120.400 -0.011 0.000 2.524 246 K HA 0.058 4.378 4.320 0.001 0.000 0.279 246 K C 0.652 177.245 176.600 -0.012 0.000 0.993 246 K CA 0.118 56.400 56.287 -0.008 0.000 1.030 246 K CB 0.147 32.647 32.500 -0.000 0.000 0.891 246 K HN 0.509 nan 8.250 nan 0.000 0.488 247 T N 0.472 115.017 114.554 -0.015 0.000 2.855 247 T HA 0.029 4.379 4.350 0.001 0.000 0.322 247 T C -1.767 172.921 174.700 -0.021 0.000 1.088 247 T CA -1.420 60.665 62.100 -0.025 0.000 1.104 247 T CB 0.558 69.410 68.868 -0.026 0.000 0.996 247 T HN 0.297 nan 8.240 nan 0.000 0.549 248 P HA -0.066 nan 4.420 nan 0.000 0.216 248 P C 1.593 178.891 177.300 -0.004 0.000 1.150 248 P CA 0.375 63.455 63.100 -0.033 0.000 0.843 248 P CB -0.049 31.604 31.700 -0.078 0.000 0.787 249 L N -0.551 120.673 121.223 0.002 0.000 2.109 249 L HA -0.079 4.261 4.340 0.001 0.000 0.207 249 L C 2.288 179.185 176.870 0.045 0.000 1.086 249 L CA 1.795 56.666 54.840 0.051 0.000 0.760 249 L CB -1.412 40.703 42.059 0.093 0.000 0.910 249 L HN -0.113 nan 8.230 nan 0.000 0.437 250 Q N -0.848 118.970 119.800 0.030 0.000 2.061 250 Q HA -0.265 4.075 4.340 0.001 0.000 0.204 250 Q C 2.239 178.263 176.000 0.039 0.000 0.984 250 Q CA 2.318 58.140 55.803 0.032 0.000 0.846 250 Q CB -0.132 28.616 28.738 0.017 0.000 0.902 250 Q HN 0.642 nan 8.270 nan 0.000 0.421 251 Q N 0.146 119.965 119.800 0.032 0.000 2.084 251 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 251 Q C 1.956 177.991 176.000 0.058 0.000 0.978 251 Q CA 1.232 57.057 55.803 0.037 0.000 0.844 251 Q CB -0.020 28.733 28.738 0.025 0.000 0.898 251 Q HN 0.218 nan 8.270 nan 0.000 0.426 252 K N 0.078 120.517 120.400 0.064 0.000 2.057 252 K HA -0.132 4.188 4.320 0.001 0.000 0.206 252 K C 1.924 178.599 176.600 0.125 0.000 1.050 252 K CA 0.772 57.112 56.287 0.088 0.000 0.935 252 K CB -0.014 32.533 32.500 0.077 0.000 0.715 252 K HN 0.029 nan 8.250 nan 0.000 0.439 253 L N 1.678 122.963 121.223 0.105 0.000 2.046 253 L HA -0.205 4.135 4.340 0.001 0.000 0.208 253 L C 1.602 178.583 176.870 0.185 0.000 1.077 253 L CA 1.833 56.758 54.840 0.142 0.000 0.747 253 L CB -0.762 41.352 42.059 0.091 0.000 0.896 253 L HN 0.186 nan 8.230 nan 0.000 0.432 254 D N -0.964 119.507 120.400 0.118 0.000 2.117 254 D HA -0.189 4.451 4.640 0.001 0.000 0.198 254 D C 2.120 178.473 176.300 0.088 0.000 0.982 254 D CA 0.960 55.014 54.000 0.089 0.000 0.828 254 D CB 0.110 40.943 40.800 0.056 0.000 0.967 254 D HN 0.444 nan 8.370 nan 0.000 0.464 255 E N -0.301 119.960 120.200 0.102 0.000 2.051 255 E HA -0.189 4.162 4.350 0.001 0.000 0.192 255 E C 2.043 178.711 176.600 0.113 0.000 0.991 255 E CA 0.513 56.968 56.400 0.092 0.000 0.799 255 E CB -0.210 29.548 29.700 0.097 0.000 0.748 255 E HN 0.171 nan 8.360 nan 0.000 0.449 256 F N 1.210 121.177 119.950 0.029 0.000 2.065 256 F HA -0.174 4.354 4.527 0.001 0.000 0.298 256 F C 2.022 177.834 175.800 0.019 0.000 1.112 256 F CA 2.310 60.325 58.000 0.025 0.000 1.212 256 F CB -0.930 38.084 39.000 0.022 0.000 0.975 256 F HN 0.086 nan 8.300 nan 0.000 0.476 257 G N 0.209 108.986 108.800 -0.038 0.000 2.491 257 G HA2 -0.296 3.664 3.960 0.001 0.000 0.218 257 G HA3 -0.296 3.664 3.960 0.001 0.000 0.218 257 G C 1.526 176.336 174.900 -0.149 0.000 1.180 257 G CA 1.080 46.107 45.100 -0.121 0.000 0.774 257 G HN 0.417 nan 8.290 nan 0.000 0.562 258 E N 0.376 120.532 120.200 -0.074 0.000 2.049 258 E HA -0.158 4.193 4.350 0.001 0.000 0.198 258 E C 2.692 179.238 176.600 -0.091 0.000 1.007 258 E CA 1.093 57.458 56.400 -0.058 0.000 0.809 258 E CB -0.448 29.240 29.700 -0.020 0.000 0.749 258 E HN 0.356 nan 8.360 nan 0.000 0.450 259 Q N 0.403 120.138 119.800 -0.108 0.000 2.050 259 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 259 Q C 2.392 178.281 176.000 -0.184 0.000 0.980 259 Q CA 0.635 56.371 55.803 -0.111 0.000 0.840 259 Q CB -0.665 28.033 28.738 -0.067 0.000 0.898 259 Q HN 0.222 nan 8.270 nan 0.000 0.424 260 L N 0.639 121.648 121.223 -0.357 0.000 2.042 260 L HA -0.151 4.190 4.340 0.001 0.000 0.210 260 L C 2.352 179.094 176.870 -0.214 0.000 1.076 260 L CA 2.209 56.813 54.840 -0.394 0.000 0.749 260 L CB -0.940 40.693 42.059 -0.711 0.000 0.893 260 L HN 0.187 nan 8.230 nan 0.000 0.432 261 S N -1.045 114.552 115.700 -0.171 0.000 2.383 261 S HA -0.238 4.232 4.470 0.001 0.000 0.227 261 S C 2.172 176.726 174.600 -0.075 0.000 1.026 261 S CA 1.500 59.640 58.200 -0.099 0.000 0.981 261 S CB -0.295 62.861 63.200 -0.074 0.000 0.818 261 S HN 0.497 nan 8.310 nan 0.000 0.472 262 K N 0.877 121.231 120.400 -0.076 0.000 2.057 262 K HA 0.077 4.398 4.320 0.001 0.000 0.206 262 K C 1.843 178.409 176.600 -0.056 0.000 1.050 262 K CA 1.553 57.807 56.287 -0.055 0.000 0.935 262 K CB -0.719 31.754 32.500 -0.045 0.000 0.715 262 K HN 0.273 nan 8.250 nan 0.000 0.439 263 V N 1.122 120.993 119.914 -0.073 0.000 2.295 263 V HA -0.244 3.877 4.120 0.001 0.000 0.246 263 V C 2.227 178.283 176.094 -0.064 0.000 1.049 263 V CA 1.935 64.193 62.300 -0.069 0.000 1.024 263 V CB -0.398 31.376 31.823 -0.082 0.000 0.648 263 V HN 0.303 nan 8.190 nan 0.000 0.447 264 I N 1.067 121.598 120.570 -0.065 0.000 2.163 264 I HA -0.289 3.882 4.170 0.001 0.000 0.243 264 I C 2.730 178.827 176.117 -0.033 0.000 1.085 264 I CA 2.069 63.342 61.300 -0.046 0.000 1.347 264 I CB -0.561 37.413 38.000 -0.042 0.000 1.044 264 I HN 0.510 nan 8.210 nan 0.000 0.408 265 S N 0.886 116.564 115.700 -0.036 0.000 2.382 265 S HA -0.141 4.330 4.470 0.001 0.000 0.228 265 S C 2.052 176.638 174.600 -0.024 0.000 1.027 265 S CA 0.720 58.901 58.200 -0.031 0.000 0.991 265 S CB -0.595 62.585 63.200 -0.035 0.000 0.823 265 S HN 0.234 nan 8.310 nan 0.000 0.469 266 L N 1.676 122.882 121.223 -0.027 0.000 2.042 266 L HA 0.089 4.430 4.340 0.001 0.000 0.210 266 L C 2.442 179.308 176.870 -0.006 0.000 1.076 266 L CA 1.457 56.285 54.840 -0.020 0.000 0.749 266 L CB -1.285 40.754 42.059 -0.032 0.000 0.893 266 L HN 0.410 nan 8.230 nan 0.000 0.432 267 I N -1.649 118.910 120.570 -0.018 0.000 2.315 267 I HA -0.320 3.851 4.170 0.001 0.000 0.248 267 I C 2.592 178.762 176.117 0.088 0.000 1.117 267 I CA 0.634 61.943 61.300 0.014 0.000 1.404 267 I CB -0.283 37.707 38.000 -0.016 0.000 1.071 267 I HN 0.282 nan 8.210 nan 0.000 0.419 268 C N 0.071 119.396 119.300 0.042 0.000 2.432 268 C HA -0.127 4.333 4.460 0.001 0.000 0.277 268 C C 2.892 177.936 174.990 0.089 0.000 1.249 268 C CA 0.520 59.560 59.018 0.036 0.000 1.725 268 C CB -0.731 26.999 27.740 -0.016 0.000 2.028 268 C HN 0.339 nan 8.230 nan 0.000 0.477 269 V N 1.412 121.367 119.914 0.069 0.000 2.332 269 V HA -0.236 3.885 4.120 0.001 0.000 0.248 269 V C 2.707 178.930 176.094 0.214 0.000 1.055 269 V CA 2.231 64.599 62.300 0.113 0.000 1.038 269 V CB -1.269 30.578 31.823 0.040 0.000 0.651 269 V HN 0.615 nan 8.190 nan 0.000 0.450 270 A N -0.197 122.724 122.820 0.169 0.000 1.883 270 A HA -0.185 4.136 4.320 0.001 0.000 0.217 270 A C 2.366 180.089 177.584 0.232 0.000 1.186 270 A CA 2.203 54.368 52.037 0.212 0.000 0.624 270 A CB -0.778 18.357 19.000 0.225 0.000 0.822 270 A HN 0.347 nan 8.150 nan 0.000 0.444 271 V N -2.321 117.716 119.914 0.204 0.000 2.594 271 V HA -0.247 3.873 4.120 0.001 0.000 0.253 271 V C 2.091 178.219 176.094 0.057 0.000 1.069 271 V CA 1.801 64.133 62.300 0.052 0.000 1.082 271 V CB -0.870 30.922 31.823 -0.052 0.000 0.680 271 V HN 0.825 nan 8.190 nan 0.000 0.469 272 W N 0.367 121.666 121.300 -0.001 0.000 2.408 272 W HA -0.096 4.564 4.660 0.001 0.000 0.311 272 W C 2.149 178.707 176.519 0.065 0.000 1.190 272 W CA 1.338 58.725 57.345 0.070 0.000 1.321 272 W CB -0.214 29.289 29.460 0.072 0.000 1.143 272 W HN 0.126 nan 8.180 nan 0.000 0.501 273 L N 0.321 121.682 121.223 0.230 0.000 2.187 273 L HA -0.222 4.118 4.340 0.001 0.000 0.213 273 L C 2.238 179.057 176.870 -0.084 0.000 1.100 273 L CA 1.160 56.014 54.840 0.024 0.000 0.765 273 L CB -0.623 41.524 42.059 0.148 0.000 0.904 273 L HN 0.074 nan 8.230 nan 0.000 0.437 274 I N -0.685 119.865 120.570 -0.034 0.000 2.716 274 I HA -0.178 3.992 4.170 0.001 0.000 0.259 274 I C 1.029 177.097 176.117 -0.082 0.000 1.172 274 I CA 1.102 62.373 61.300 -0.048 0.000 1.478 274 I CB 0.008 37.989 38.000 -0.032 0.000 1.104 274 I HN 0.276 nan 8.210 nan 0.000 0.439 275 N N 0.347 118.993 118.700 -0.090 0.000 2.380 275 N HA 0.207 4.948 4.740 0.001 0.000 0.255 275 N C 1.365 176.840 175.510 -0.057 0.000 1.158 275 N CA -0.129 52.922 53.050 0.002 0.000 0.878 275 N CB 0.614 39.215 38.487 0.191 0.000 1.138 275 N HN 0.253 nan 8.380 nan 0.000 0.509 276 I N 0.175 120.600 120.570 -0.241 0.000 2.830 276 I HA -0.061 4.109 4.170 0.001 0.000 0.263 276 I C 2.092 178.139 176.117 -0.118 0.000 1.230 276 I CA 0.684 61.764 61.300 -0.366 0.000 1.480 276 I CB 0.125 37.810 38.000 -0.525 0.000 1.095 276 I HN 0.207 nan 8.210 nan 0.000 0.455 277 G N -0.518 108.228 108.800 -0.090 0.000 2.509 277 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 277 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 277 G C 1.401 176.286 174.900 -0.025 0.000 1.124 277 G CA 0.284 45.342 45.100 -0.070 0.000 0.776 277 G HN 0.450 nan 8.290 nan 0.000 0.547 278 H N -0.481 118.619 119.070 0.051 0.000 2.518 278 H HA -0.000 4.556 4.556 0.001 0.000 0.289 278 H C 1.821 177.161 175.328 0.021 0.000 1.051 278 H CA 0.558 56.623 56.048 0.029 0.000 1.280 278 H CB -0.050 29.705 29.762 -0.013 0.000 1.380 278 H HN 0.394 nan 8.280 nan 0.000 0.566 279 F N 0.835 120.772 119.950 -0.022 0.000 2.502 279 F HA -0.072 4.456 4.527 0.001 0.000 0.298 279 F C 1.906 177.704 175.800 -0.003 0.000 1.111 279 F CA 0.496 58.475 58.000 -0.034 0.000 1.445 279 F CB -0.025 38.941 39.000 -0.057 0.000 1.081 279 F HN 0.110 nan 8.300 nan 0.000 0.558 280 N N -0.382 118.407 118.700 0.149 0.000 2.412 280 N HA -0.051 4.690 4.740 0.001 0.000 0.184 280 N C -0.148 175.404 175.510 0.070 0.000 1.101 280 N CA 0.409 53.510 53.050 0.085 0.000 0.881 280 N CB -0.216 38.297 38.487 0.043 0.000 0.969 280 N HN 0.155 nan 8.380 nan 0.000 0.459 281 D N 2.371 122.821 120.400 0.083 0.000 2.382 281 D HA 0.123 4.763 4.640 0.001 0.000 0.245 281 D C -1.896 174.470 176.300 0.109 0.000 1.120 281 D CA -0.939 53.121 54.000 0.099 0.000 0.890 281 D CB 0.622 41.516 40.800 0.157 0.000 1.201 281 D HN 0.121 nan 8.370 nan 0.000 0.433 282 P HA -0.054 nan 4.420 nan 0.000 0.264 282 P C 0.989 178.368 177.300 0.132 0.000 1.193 282 P CA -0.244 62.923 63.100 0.111 0.000 0.763 282 P CB 0.985 32.745 31.700 0.099 0.000 0.810 283 V N 3.277 123.259 119.914 0.113 0.000 2.568 283 V HA -0.194 3.927 4.120 0.001 0.000 0.253 283 V C 0.674 176.670 176.094 -0.164 0.000 1.072 283 V CA 1.616 63.950 62.300 0.056 0.000 1.084 283 V CB -1.140 30.669 31.823 -0.023 0.000 0.676 283 V HN 0.554 nan 8.190 nan 0.000 0.469 284 H N -0.280 118.775 119.070 -0.025 0.000 2.580 284 H HA 0.559 5.116 4.556 0.001 0.000 0.322 284 H C 0.646 175.944 175.328 -0.050 0.000 1.082 284 H CA 0.952 56.958 56.048 -0.070 0.000 1.383 284 H CB 0.915 30.644 29.762 -0.055 0.000 1.450 284 H HN 0.611 nan 8.280 nan 0.000 0.505 285 G N 1.428 110.244 108.800 0.026 0.000 2.587 285 G HA2 0.218 4.179 3.960 0.001 0.000 0.212 285 G HA3 0.218 4.179 3.960 0.001 0.000 0.212 285 G C 0.436 175.327 174.900 -0.015 0.000 1.327 285 G CA -0.428 44.671 45.100 -0.002 0.000 0.898 285 G HN 1.353 nan 8.290 nan 0.000 0.551 286 G N -1.345 107.459 108.800 0.008 0.000 2.633 286 G HA2 0.284 4.244 3.960 0.001 0.000 0.263 286 G HA3 0.284 4.244 3.960 0.001 0.000 0.263 286 G C 0.413 175.330 174.900 0.028 0.000 1.310 286 G CA 1.180 46.304 45.100 0.041 0.000 0.914 286 G HN 2.353 nan 8.290 nan 0.000 0.569 287 S N -1.251 114.501 115.700 0.087 0.000 2.720 287 S HA 0.499 4.970 4.470 0.001 0.000 0.278 287 S C 0.421 175.150 174.600 0.214 0.000 1.172 287 S CA 0.174 58.428 58.200 0.090 0.000 1.019 287 S CB 0.445 63.671 63.200 0.043 0.000 1.049 287 S HN 0.651 nan 8.310 nan 0.000 0.483 288 W N 3.619 124.859 121.300 -0.099 0.000 2.409 288 W HA 0.095 4.756 4.660 0.001 0.000 0.299 288 W C 1.887 178.343 176.519 -0.105 0.000 1.203 288 W CA -0.081 57.184 57.345 -0.133 0.000 1.298 288 W CB -0.762 28.618 29.460 -0.133 0.000 1.127 288 W HN 0.736 nan 8.180 nan 0.000 0.528 289 I N 1.033 121.715 120.570 0.187 0.000 2.208 289 I HA -0.261 3.910 4.170 0.001 0.000 0.245 289 I C 2.319 178.494 176.117 0.098 0.000 1.097 289 I CA 1.765 63.130 61.300 0.108 0.000 1.363 289 I CB -0.361 37.701 38.000 0.104 0.000 1.051 289 I HN -0.116 nan 8.210 nan 0.000 0.413 290 R N -0.258 120.297 120.500 0.092 0.000 2.275 290 R HA 0.078 4.419 4.340 0.001 0.000 0.199 290 R C 2.118 178.473 176.300 0.092 0.000 0.989 290 R CA 0.788 56.942 56.100 0.091 0.000 1.016 290 R CB -0.417 29.921 30.300 0.064 0.000 0.918 290 R HN 0.521 nan 8.270 nan 0.000 0.473 291 G N 0.572 109.394 108.800 0.037 0.000 2.411 291 G HA2 -0.123 3.838 3.960 0.001 0.000 0.213 291 G HA3 -0.123 3.838 3.960 0.001 0.000 0.213 291 G C 1.481 176.340 174.900 -0.068 0.000 1.166 291 G CA 0.541 45.620 45.100 -0.036 0.000 0.802 291 G HN 0.314 nan 8.290 nan 0.000 0.533 292 A N 0.681 123.456 122.820 -0.074 0.000 1.968 292 A HA 0.164 4.485 4.320 0.001 0.000 0.217 292 A C 2.303 180.072 177.584 0.308 0.000 1.169 292 A CA 0.824 52.872 52.037 0.019 0.000 0.638 292 A CB -0.307 18.722 19.000 0.049 0.000 0.812 292 A HN 0.342 nan 8.150 nan 0.000 0.446 293 I N -1.875 118.836 120.570 0.234 0.000 2.361 293 I HA -0.246 3.924 4.170 0.001 0.000 0.251 293 I C 2.347 178.666 176.117 0.338 0.000 1.133 293 I CA 1.315 62.772 61.300 0.261 0.000 1.413 293 I CB -0.231 37.880 38.000 0.184 0.000 1.073 293 I HN 0.544 nan 8.210 nan 0.000 0.424 294 Y N 0.359 120.803 120.300 0.240 0.000 2.263 294 Y HA -0.271 4.280 4.550 0.001 0.000 0.292 294 Y C 2.127 178.239 175.900 0.353 0.000 1.130 294 Y CA 1.558 59.822 58.100 0.274 0.000 1.179 294 Y CB -0.210 38.416 38.460 0.277 0.000 0.998 294 Y HN 0.095 nan 8.280 nan 0.000 0.532 295 Y N -1.646 118.671 120.300 0.028 0.000 2.337 295 Y HA -0.091 4.459 4.550 0.001 0.000 0.293 295 Y C 1.999 177.751 175.900 -0.246 0.000 1.123 295 Y CA 0.707 58.711 58.100 -0.160 0.000 1.201 295 Y CB -1.210 37.163 38.460 -0.145 0.000 1.011 295 Y HN 0.123 nan 8.280 nan 0.000 0.545 296 F N -0.044 119.996 119.950 0.150 0.000 2.293 296 F HA -0.043 4.485 4.527 0.001 0.000 0.297 296 F C 2.254 178.073 175.800 0.032 0.000 1.089 296 F CA 0.960 59.003 58.000 0.073 0.000 1.377 296 F CB -0.256 38.778 39.000 0.056 0.000 1.051 296 F HN -0.146 nan 8.300 nan 0.000 0.511 297 K N 0.654 121.158 120.400 0.174 0.000 2.032 297 K HA -0.192 4.128 4.320 0.001 0.000 0.209 297 K C 2.040 178.637 176.600 -0.005 0.000 1.048 297 K CA 2.024 58.358 56.287 0.079 0.000 0.927 297 K CB -0.464 32.074 32.500 0.064 0.000 0.712 297 K HN 0.388 nan 8.250 nan 0.000 0.441 298 I N -2.206 118.293 120.570 -0.118 0.000 2.546 298 I HA -0.055 4.116 4.170 0.001 0.000 0.255 298 I C 2.106 178.180 176.117 -0.072 0.000 1.163 298 I CA 1.243 62.455 61.300 -0.147 0.000 1.457 298 I CB -0.241 37.581 38.000 -0.296 0.000 1.092 298 I HN -0.098 nan 8.210 nan 0.000 0.434 299 A N 1.280 124.065 122.820 -0.059 0.000 1.902 299 A HA -0.081 4.240 4.320 0.001 0.000 0.217 299 A C 2.402 179.996 177.584 0.017 0.000 1.181 299 A CA 2.160 54.177 52.037 -0.033 0.000 0.623 299 A CB -1.184 17.782 19.000 -0.056 0.000 0.818 299 A HN 0.343 nan 8.150 nan 0.000 0.443 300 V N -0.145 119.799 119.914 0.050 0.000 2.261 300 V HA -0.251 3.870 4.120 0.001 0.000 0.246 300 V C 3.080 179.204 176.094 0.050 0.000 1.047 300 V CA 2.001 64.341 62.300 0.066 0.000 1.015 300 V CB -1.250 30.626 31.823 0.088 0.000 0.642 300 V HN 0.614 nan 8.190 nan 0.000 0.446 301 A N -0.578 122.265 122.820 0.037 0.000 1.978 301 A HA -0.219 4.102 4.320 0.001 0.000 0.220 301 A C 2.149 179.752 177.584 0.032 0.000 1.170 301 A CA 2.079 54.138 52.037 0.036 0.000 0.636 301 A CB -0.549 18.464 19.000 0.023 0.000 0.810 301 A HN 0.442 nan 8.150 nan 0.000 0.448 302 L N -0.490 120.745 121.223 0.020 0.000 2.027 302 L HA -0.018 4.322 4.340 0.001 0.000 0.206 302 L C 2.794 179.677 176.870 0.022 0.000 1.074 302 L CA 2.030 56.883 54.840 0.020 0.000 0.745 302 L CB -0.842 41.223 42.059 0.011 0.000 0.898 302 L HN 0.347 nan 8.230 nan 0.000 0.433 303 A N -1.304 121.532 122.820 0.025 0.000 1.908 303 A HA -0.171 4.150 4.320 0.001 0.000 0.218 303 A C 2.259 179.866 177.584 0.039 0.000 1.181 303 A CA 2.122 54.176 52.037 0.028 0.000 0.627 303 A CB -1.072 17.951 19.000 0.037 0.000 0.818 303 A HN 0.285 nan 8.150 nan 0.000 0.445 304 V N -0.471 119.472 119.914 0.049 0.000 2.548 304 V HA -0.147 3.973 4.120 0.001 0.000 0.249 304 V C 2.901 179.027 176.094 0.053 0.000 1.055 304 V CA 1.682 64.017 62.300 0.059 0.000 1.065 304 V CB -0.885 30.982 31.823 0.073 0.000 0.681 304 V HN 0.607 nan 8.190 nan 0.000 0.462 305 A N -0.403 122.444 122.820 0.045 0.000 2.067 305 A HA 0.161 4.482 4.320 0.001 0.000 0.217 305 A C 2.286 179.889 177.584 0.031 0.000 1.156 305 A CA 1.502 53.561 52.037 0.037 0.000 0.683 305 A CB -0.328 18.694 19.000 0.036 0.000 0.808 305 A HN 0.516 nan 8.150 nan 0.000 0.455 306 A N -0.402 122.436 122.820 0.031 0.000 1.943 306 A HA 0.303 4.624 4.320 0.001 0.000 0.213 306 A C 0.837 178.461 177.584 0.067 0.000 1.181 306 A CA 0.331 52.385 52.037 0.029 0.000 0.653 306 A CB -0.115 18.883 19.000 -0.004 0.000 0.833 306 A HN 0.323 nan 8.150 nan 0.000 0.451 307 I N 1.347 121.957 120.570 0.066 0.000 2.441 307 I HA 0.215 4.386 4.170 0.001 0.000 0.287 307 I C -2.531 173.642 176.117 0.093 0.000 1.049 307 I CA -2.742 58.619 61.300 0.101 0.000 1.381 307 I CB 0.372 38.420 38.000 0.080 0.000 1.409 307 I HN 0.054 nan 8.210 nan 0.000 0.523 308 P HA 0.241 nan 4.420 nan 0.000 0.256 308 P C 0.104 177.430 177.300 0.044 0.000 1.689 308 P CA -0.193 62.934 63.100 0.045 0.000 1.124 308 P CB 0.571 32.277 31.700 0.009 0.000 1.766 309 E N 2.198 122.421 120.200 0.039 0.000 2.106 309 E HA -0.083 4.267 4.350 0.001 0.000 0.192 309 E C 2.230 178.843 176.600 0.022 0.000 0.984 309 E CA 1.612 58.037 56.400 0.041 0.000 0.806 309 E CB -0.593 29.137 29.700 0.049 0.000 0.750 309 E HN 0.505 nan 8.360 nan 0.000 0.458 310 G N 0.098 108.897 108.800 -0.001 0.000 2.920 310 G HA2 -0.092 3.868 3.960 0.001 0.000 0.208 310 G HA3 -0.092 3.868 3.960 0.001 0.000 0.208 310 G C 1.305 176.189 174.900 -0.027 0.000 1.159 310 G CA -0.075 45.011 45.100 -0.023 0.000 0.784 310 G HN 0.116 nan 8.290 nan 0.000 0.535 311 L N 1.612 122.832 121.223 -0.006 0.000 1.994 311 L HA 0.115 4.455 4.340 0.001 0.000 0.208 311 L C -0.074 176.810 176.870 0.023 0.000 1.071 311 L CA 1.774 56.621 54.840 0.011 0.000 0.745 311 L CB -1.030 41.041 42.059 0.020 0.000 0.892 311 L HN -0.004 nan 8.230 nan 0.000 0.431 312 P HA -0.181 nan 4.420 nan 0.000 0.216 312 P C 1.491 178.800 177.300 0.014 0.000 1.150 312 P CA 2.135 65.254 63.100 0.032 0.000 0.843 312 P CB -0.217 31.502 31.700 0.032 0.000 0.787 313 A N -0.994 121.822 122.820 -0.006 0.000 1.929 313 A HA -0.102 4.218 4.320 0.001 0.000 0.216 313 A C 2.316 179.862 177.584 -0.063 0.000 1.176 313 A CA 1.413 53.439 52.037 -0.020 0.000 0.628 313 A CB -1.506 17.480 19.000 -0.023 0.000 0.816 313 A HN 0.028 nan 8.150 nan 0.000 0.444 314 V N 0.298 120.143 119.914 -0.114 0.000 2.307 314 V HA -0.250 3.871 4.120 0.001 0.000 0.245 314 V C 2.415 178.352 176.094 -0.262 0.000 1.045 314 V CA 1.931 64.068 62.300 -0.271 0.000 1.024 314 V CB -0.638 30.925 31.823 -0.433 0.000 0.651 314 V HN 0.567 nan 8.190 nan 0.000 0.449 315 I N 0.024 120.558 120.570 -0.060 0.000 2.163 315 I HA -0.277 3.893 4.170 0.001 0.000 0.243 315 I C 2.547 178.695 176.117 0.053 0.000 1.085 315 I CA 2.022 63.397 61.300 0.125 0.000 1.347 315 I CB -0.645 37.454 38.000 0.166 0.000 1.044 315 I HN 0.341 nan 8.210 nan 0.000 0.408 316 T N -0.203 114.361 114.554 0.017 0.000 2.708 316 T HA -0.172 4.179 4.350 0.001 0.000 0.266 316 T C 1.903 176.601 174.700 -0.004 0.000 1.037 316 T CA 2.022 64.131 62.100 0.015 0.000 1.146 316 T CB -0.369 68.515 68.868 0.027 0.000 0.865 316 T HN 0.356 nan 8.240 nan 0.000 0.435 317 T N 1.006 115.540 114.554 -0.033 0.000 2.708 317 T HA -0.155 4.196 4.350 0.001 0.000 0.266 317 T C 2.255 176.912 174.700 -0.071 0.000 1.037 317 T CA 1.317 63.389 62.100 -0.045 0.000 1.146 317 T CB -0.795 68.034 68.868 -0.065 0.000 0.865 317 T HN 0.526 nan 8.240 nan 0.000 0.435 318 C N 0.979 120.218 119.300 -0.101 0.000 2.411 318 C HA -0.014 4.446 4.460 0.001 0.000 0.279 318 C C 2.440 177.391 174.990 -0.066 0.000 1.288 318 C CA 0.473 59.430 59.018 -0.103 0.000 1.764 318 C CB -1.430 26.319 27.740 0.015 0.000 1.974 318 C HN 0.344 nan 8.230 nan 0.000 0.498 319 L N 1.226 122.438 121.223 -0.018 0.000 2.095 319 L HA 0.181 4.521 4.340 0.001 0.000 0.204 319 L C 2.862 179.713 176.870 -0.031 0.000 1.080 319 L CA 2.065 56.898 54.840 -0.012 0.000 0.759 319 L CB -1.536 40.530 42.059 0.011 0.000 0.914 319 L HN 0.374 nan 8.230 nan 0.000 0.439 320 A N -0.661 122.145 122.820 -0.025 0.000 1.908 320 A HA -0.185 4.135 4.320 0.001 0.000 0.218 320 A C 2.322 179.885 177.584 -0.034 0.000 1.181 320 A CA 1.690 53.717 52.037 -0.018 0.000 0.627 320 A CB -0.698 18.306 19.000 0.007 0.000 0.818 320 A HN 0.387 nan 8.150 nan 0.000 0.445 321 L N -0.932 120.253 121.223 -0.064 0.000 2.056 321 L HA -0.073 4.268 4.340 0.001 0.000 0.207 321 L C 2.886 179.689 176.870 -0.112 0.000 1.078 321 L CA 1.008 55.792 54.840 -0.092 0.000 0.749 321 L CB -0.870 41.090 42.059 -0.166 0.000 0.901 321 L HN 0.480 nan 8.230 nan 0.000 0.433 322 G N -0.651 108.071 108.800 -0.130 0.000 2.459 322 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 322 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 322 G C 1.555 176.416 174.900 -0.065 0.000 1.183 322 G CA 1.421 46.457 45.100 -0.107 0.000 0.776 322 G HN 0.264 nan 8.290 nan 0.000 0.552 323 T N 0.593 115.117 114.554 -0.049 0.000 2.624 323 T HA -0.179 4.172 4.350 0.001 0.000 0.268 323 T C 2.479 177.162 174.700 -0.028 0.000 1.041 323 T CA 1.581 63.660 62.100 -0.035 0.000 1.159 323 T CB -0.211 68.640 68.868 -0.029 0.000 0.863 323 T HN 0.286 nan 8.240 nan 0.000 0.434 324 R N 0.267 120.752 120.500 -0.024 0.000 2.105 324 R HA -0.038 4.303 4.340 0.001 0.000 0.239 324 R C 2.703 178.996 176.300 -0.012 0.000 1.135 324 R CA 1.296 57.390 56.100 -0.011 0.000 0.967 324 R CB -0.222 30.077 30.300 -0.002 0.000 0.861 324 R HN 0.291 nan 8.270 nan 0.000 0.442 325 R N 0.474 120.958 120.500 -0.026 0.000 2.090 325 R HA -0.036 4.305 4.340 0.001 0.000 0.228 325 R C 2.147 178.434 176.300 -0.021 0.000 1.110 325 R CA 1.205 57.292 56.100 -0.022 0.000 0.973 325 R CB 0.034 30.309 30.300 -0.041 0.000 0.869 325 R HN 0.189 nan 8.270 nan 0.000 0.440 326 M N -0.328 119.255 119.600 -0.028 0.000 2.200 326 M HA -0.043 4.438 4.480 0.001 0.000 0.265 326 M C 2.434 178.721 176.300 -0.021 0.000 1.066 326 M CA 1.473 56.756 55.300 -0.028 0.000 1.127 326 M CB -0.187 32.393 32.600 -0.034 0.000 1.379 326 M HN 0.242 nan 8.290 nan 0.000 0.420 327 A N 0.841 123.651 122.820 -0.017 0.000 1.940 327 A HA -0.180 4.141 4.320 0.001 0.000 0.219 327 A C 2.114 179.694 177.584 -0.006 0.000 1.176 327 A CA 1.616 53.646 52.037 -0.011 0.000 0.631 327 A CB -0.566 18.429 19.000 -0.008 0.000 0.814 327 A HN 0.420 nan 8.150 nan 0.000 0.446 328 K N -0.338 120.060 120.400 -0.003 0.000 2.211 328 K HA -0.061 4.259 4.320 0.001 0.000 0.203 328 K C 0.764 177.364 176.600 -0.000 0.000 1.050 328 K CA 1.038 57.326 56.287 0.002 0.000 0.945 328 K CB -0.068 32.437 32.500 0.008 0.000 0.732 328 K HN 0.383 nan 8.250 nan 0.000 0.451 329 K N 0.932 121.328 120.400 -0.006 0.000 2.570 329 K HA 0.098 4.418 4.320 0.001 0.000 0.210 329 K C -0.364 176.227 176.600 -0.014 0.000 1.048 329 K CA -0.097 56.184 56.287 -0.010 0.000 1.167 329 K CB 0.351 32.843 32.500 -0.014 0.000 0.892 329 K HN 0.105 nan 8.250 nan 0.000 0.480 330 N N -0.371 118.322 118.700 -0.011 0.000 2.909 330 N HA -0.164 4.577 4.740 0.001 0.000 0.242 330 N C -0.539 174.960 175.510 -0.019 0.000 0.975 330 N CA 1.155 54.198 53.050 -0.011 0.000 0.921 330 N CB -1.100 37.383 38.487 -0.008 0.000 1.112 330 N HN 0.332 nan 8.380 nan 0.000 0.581 331 A N 0.950 123.756 122.820 -0.024 0.000 2.341 331 A HA 0.634 4.955 4.320 0.001 0.000 0.326 331 A C 0.467 178.035 177.584 -0.027 0.000 1.402 331 A CA -0.436 51.583 52.037 -0.031 0.000 0.957 331 A CB 0.114 19.089 19.000 -0.041 0.000 1.151 331 A HN 0.247 nan 8.150 nan 0.000 0.533 332 I N 3.680 124.236 120.570 -0.024 0.000 2.281 332 I HA 0.146 4.317 4.170 0.001 0.000 0.293 332 I C -0.345 175.756 176.117 -0.027 0.000 1.085 332 I CA -0.367 60.919 61.300 -0.022 0.000 1.257 332 I CB 1.040 39.030 38.000 -0.017 0.000 1.430 332 I HN 0.249 nan 8.210 nan 0.000 0.489 333 V N 7.812 127.708 119.914 -0.030 0.000 2.461 333 V HA 0.226 4.347 4.120 0.001 0.000 0.275 333 V C 1.275 177.348 176.094 -0.035 0.000 1.047 333 V CA -0.213 62.067 62.300 -0.033 0.000 0.955 333 V CB 1.138 32.941 31.823 -0.034 0.000 0.988 333 V HN 0.735 nan 8.190 nan 0.000 0.471 334 R N 2.149 122.626 120.500 -0.037 0.000 2.156 334 R HA 0.119 4.460 4.340 0.001 0.000 0.207 334 R C 0.836 177.105 176.300 -0.052 0.000 1.040 334 R CA 0.391 56.465 56.100 -0.044 0.000 1.013 334 R CB 0.299 30.575 30.300 -0.040 0.000 0.931 334 R HN 0.569 nan 8.270 nan 0.000 0.465 335 S N 0.676 116.348 115.700 -0.046 0.000 2.566 335 S HA 0.273 4.743 4.470 0.001 0.000 0.324 335 S C 1.091 175.667 174.600 -0.041 0.000 1.081 335 S CA -0.611 57.560 58.200 -0.048 0.000 1.105 335 S CB 0.828 64.002 63.200 -0.043 0.000 0.981 335 S HN 0.142 nan 8.310 nan 0.000 0.464 336 L N 5.099 126.297 121.223 -0.042 0.000 2.013 336 L HA -0.032 4.309 4.340 0.001 0.000 0.212 336 L C -0.718 176.142 176.870 -0.016 0.000 1.073 336 L CA 1.341 56.163 54.840 -0.029 0.000 0.753 336 L CB -1.588 40.456 42.059 -0.026 0.000 0.890 336 L HN 0.487 nan 8.230 nan 0.000 0.432 337 P HA -0.092 nan 4.420 nan 0.000 0.222 337 P C 1.586 178.875 177.300 -0.018 0.000 1.147 337 P CA 1.063 64.159 63.100 -0.008 0.000 0.790 337 P CB 0.005 31.699 31.700 -0.011 0.000 0.780 338 S N -0.699 114.985 115.700 -0.027 0.000 2.419 338 S HA -0.106 4.364 4.470 0.001 0.000 0.233 338 S C 1.965 176.543 174.600 -0.037 0.000 1.016 338 S CA 0.883 59.062 58.200 -0.034 0.000 0.974 338 S CB -1.235 61.944 63.200 -0.035 0.000 0.786 338 S HN 0.001 nan 8.310 nan 0.000 0.492 339 V N 2.048 121.945 119.914 -0.027 0.000 2.278 339 V HA -0.289 3.832 4.120 0.001 0.000 0.251 339 V C 2.580 178.657 176.094 -0.028 0.000 1.062 339 V CA 2.262 64.548 62.300 -0.023 0.000 1.038 339 V CB -0.609 31.209 31.823 -0.008 0.000 0.646 339 V HN 0.599 nan 8.190 nan 0.000 0.447 340 E N -0.045 120.138 120.200 -0.029 0.000 2.051 340 E HA -0.232 4.119 4.350 0.001 0.000 0.192 340 E C 2.208 178.723 176.600 -0.142 0.000 0.991 340 E CA 2.023 58.367 56.400 -0.092 0.000 0.799 340 E CB -0.206 29.435 29.700 -0.098 0.000 0.748 340 E HN 0.675 nan 8.360 nan 0.000 0.449 341 T N 1.976 116.469 114.554 -0.101 0.000 2.720 341 T HA -0.200 4.151 4.350 0.001 0.000 0.268 341 T C 1.867 176.518 174.700 -0.081 0.000 1.037 341 T CA 1.312 63.357 62.100 -0.092 0.000 1.144 341 T CB -0.353 68.477 68.868 -0.063 0.000 0.864 341 T HN 0.134 nan 8.240 nan 0.000 0.444 342 L N 1.611 122.794 121.223 -0.068 0.000 2.046 342 L HA 0.090 4.431 4.340 0.001 0.000 0.208 342 L C 2.601 179.432 176.870 -0.065 0.000 1.077 342 L CA 1.964 56.768 54.840 -0.061 0.000 0.747 342 L CB -1.149 40.877 42.059 -0.054 0.000 0.896 342 L HN 0.306 nan 8.230 nan 0.000 0.432 343 G N -1.608 107.149 108.800 -0.073 0.000 2.462 343 G HA2 -0.255 3.706 3.960 0.001 0.000 0.220 343 G HA3 -0.255 3.706 3.960 0.001 0.000 0.220 343 G C 1.303 176.149 174.900 -0.089 0.000 1.121 343 G CA 1.008 46.065 45.100 -0.072 0.000 0.758 343 G HN 0.552 nan 8.290 nan 0.000 0.559 344 C N 1.197 120.430 119.300 -0.111 0.000 2.697 344 C HA 0.256 4.716 4.460 0.001 0.000 0.267 344 C C 1.300 176.255 174.990 -0.058 0.000 1.278 344 C CA -0.858 58.102 59.018 -0.098 0.000 1.708 344 C CB -1.186 26.479 27.740 -0.125 0.000 1.860 344 C HN 0.248 nan 8.230 nan 0.000 0.589 345 T N 2.037 116.561 114.554 -0.050 0.000 2.905 345 T HA 0.063 4.413 4.350 0.001 0.000 0.299 345 T C 1.202 175.892 174.700 -0.016 0.000 1.024 345 T CA 0.886 62.967 62.100 -0.031 0.000 1.151 345 T CB 0.541 69.388 68.868 -0.035 0.000 0.987 345 T HN 0.699 nan 8.240 nan 0.000 0.535 346 S N 1.396 117.095 115.700 -0.001 0.000 2.520 346 S HA 0.309 4.780 4.470 0.001 0.000 0.219 346 S C 0.316 174.931 174.600 0.025 0.000 1.028 346 S CA -0.424 57.783 58.200 0.011 0.000 0.921 346 S CB 0.467 63.676 63.200 0.015 0.000 0.844 346 S HN 0.414 nan 8.310 nan 0.000 0.495 347 V N 2.264 122.196 119.914 0.030 0.000 2.638 347 V HA 0.538 4.658 4.120 0.001 0.000 0.306 347 V C -1.091 175.032 176.094 0.048 0.000 1.052 347 V CA -0.789 61.539 62.300 0.047 0.000 0.885 347 V CB 1.757 33.615 31.823 0.059 0.000 0.999 347 V HN 0.376 nan 8.190 nan 0.000 0.424 348 I N 3.664 124.278 120.570 0.074 0.000 2.355 348 I HA 0.403 4.574 4.170 0.001 0.000 0.288 348 I C -0.408 175.782 176.117 0.122 0.000 0.999 348 I CA -0.166 61.191 61.300 0.096 0.000 1.163 348 I CB 1.349 39.431 38.000 0.137 0.000 1.316 348 I HN 0.511 nan 8.210 nan 0.000 0.454 349 C N 4.283 123.636 119.300 0.089 0.000 2.285 349 C HA 0.552 5.013 4.460 0.001 0.000 0.335 349 C C 0.656 175.700 174.990 0.089 0.000 1.267 349 C CA -0.399 58.666 59.018 0.078 0.000 1.762 349 C CB 0.204 27.966 27.740 0.036 0.000 2.365 349 C HN 0.773 nan 8.230 nan 0.000 0.527 350 S N 2.549 118.306 115.700 0.094 0.000 2.561 350 S HA 0.317 4.787 4.470 0.001 0.000 0.303 350 S C -0.629 173.998 174.600 0.044 0.000 1.110 350 S CA -0.545 57.718 58.200 0.106 0.000 1.034 350 S CB 0.445 63.767 63.200 0.204 0.000 1.010 350 S HN 0.770 nan 8.310 nan 0.000 0.482 351 D N 3.197 123.622 120.400 0.041 0.000 2.449 351 D HA 0.023 4.664 4.640 0.001 0.000 0.236 351 D C 0.899 177.204 176.300 0.008 0.000 1.149 351 D CA 0.163 54.177 54.000 0.022 0.000 0.878 351 D CB 0.815 41.629 40.800 0.023 0.000 1.198 351 D HN 0.566 nan 8.370 nan 0.000 0.446 352 K N 0.626 121.023 120.400 -0.006 0.000 2.020 352 K HA -0.035 4.286 4.320 0.001 0.000 0.206 352 K C 0.295 176.889 176.600 -0.010 0.000 1.038 352 K CA 0.534 56.804 56.287 -0.028 0.000 0.947 352 K CB 0.023 32.504 32.500 -0.032 0.000 0.744 352 K HN 0.297 nan 8.250 nan 0.000 0.442 353 T N 0.666 115.221 114.554 0.002 0.000 2.817 353 T HA 0.204 4.555 4.350 0.001 0.000 0.295 353 T C 0.671 175.382 174.700 0.019 0.000 0.958 353 T CA 0.766 62.871 62.100 0.009 0.000 1.157 353 T CB 0.739 69.615 68.868 0.013 0.000 0.898 353 T HN 0.635 nan 8.240 nan 0.000 0.536 354 G N 3.537 112.350 108.800 0.021 0.000 2.284 354 G HA2 -0.321 3.640 3.960 0.001 0.000 0.247 354 G HA3 -0.321 3.640 3.960 0.001 0.000 0.247 354 G C 1.046 175.968 174.900 0.037 0.000 1.012 354 G CA 0.640 45.758 45.100 0.031 0.000 0.618 354 G HN 0.679 nan 8.290 nan 0.000 0.521 355 T N 0.242 114.820 114.554 0.040 0.000 3.053 355 T HA 0.327 4.677 4.350 0.001 0.000 0.236 355 T C 2.356 177.103 174.700 0.079 0.000 0.996 355 T CA 1.001 63.145 62.100 0.073 0.000 1.185 355 T CB -0.050 68.871 68.868 0.089 0.000 0.892 355 T HN 0.169 nan 8.240 nan 0.000 0.432 356 L N 1.618 122.846 121.223 0.008 0.000 2.240 356 L HA 0.136 4.477 4.340 0.001 0.000 0.211 356 L C 1.437 178.279 176.870 -0.046 0.000 1.106 356 L CA 0.631 55.426 54.840 -0.074 0.000 0.793 356 L CB -0.348 41.600 42.059 -0.186 0.000 0.927 356 L HN 0.405 nan 8.230 nan 0.000 0.446 357 T N -5.578 108.962 114.554 -0.024 0.000 2.940 357 T HA 0.212 4.562 4.350 0.001 0.000 0.288 357 T C 1.013 175.711 174.700 -0.004 0.000 1.045 357 T CA -0.010 62.077 62.100 -0.021 0.000 1.018 357 T CB 1.600 70.453 68.868 -0.025 0.000 1.151 357 T HN 0.112 nan 8.240 nan 0.000 0.529 358 T N -1.465 113.082 114.554 -0.012 0.000 3.085 358 T HA 0.049 4.399 4.350 0.001 0.000 0.263 358 T C 1.093 175.797 174.700 0.007 0.000 1.127 358 T CA 0.839 62.935 62.100 -0.005 0.000 1.103 358 T CB -0.951 67.901 68.868 -0.027 0.000 0.921 358 T HN 0.952 nan 8.240 nan 0.000 0.510 359 N N 1.135 119.839 118.700 0.006 0.000 2.708 359 N HA -0.173 4.567 4.740 0.001 0.000 0.249 359 N C -1.072 174.469 175.510 0.051 0.000 1.097 359 N CA 0.152 53.224 53.050 0.036 0.000 0.710 359 N CB -0.531 37.990 38.487 0.057 0.000 1.032 359 N HN 0.589 nan 8.380 nan 0.000 0.551 360 Q N 1.103 120.863 119.800 -0.067 0.000 2.431 360 Q HA 0.226 4.567 4.340 0.001 0.000 0.249 360 Q C -0.291 175.518 176.000 -0.319 0.000 1.025 360 Q CA -0.257 55.356 55.803 -0.316 0.000 0.835 360 Q CB 1.486 30.003 28.738 -0.369 0.000 1.207 360 Q HN 0.327 nan 8.270 nan 0.000 0.490 361 M N 1.839 121.321 119.600 -0.197 0.000 2.211 361 M HA 0.208 4.688 4.480 0.001 0.000 0.356 361 M C -0.541 175.681 176.300 -0.130 0.000 1.216 361 M CA 0.306 55.565 55.300 -0.068 0.000 1.134 361 M CB 1.119 33.770 32.600 0.084 0.000 1.564 361 M HN 0.363 nan 8.290 nan 0.000 0.463 362 S N 3.457 119.096 115.700 -0.102 0.000 2.614 362 S HA 0.618 5.088 4.470 0.001 0.000 0.275 362 S C -1.425 173.133 174.600 -0.069 0.000 1.161 362 S CA -0.842 57.300 58.200 -0.096 0.000 0.969 362 S CB 1.016 64.131 63.200 -0.141 0.000 1.059 362 S HN 0.510 nan 8.310 nan 0.000 0.482 363 V N 4.855 124.738 119.914 -0.053 0.000 2.521 363 V HA 0.147 4.267 4.120 0.001 0.000 0.286 363 V C 1.237 177.279 176.094 -0.086 0.000 1.034 363 V CA -0.131 62.133 62.300 -0.060 0.000 1.045 363 V CB 0.282 32.078 31.823 -0.044 0.000 0.974 363 V HN 1.109 nan 8.190 nan 0.000 0.480 364 C N 2.304 121.530 119.300 -0.124 0.000 3.491 364 C HA 0.535 4.996 4.460 0.001 0.000 0.298 364 C C 0.455 175.323 174.990 -0.204 0.000 1.424 364 C CA -0.799 58.132 59.018 -0.145 0.000 1.772 364 C CB -1.157 26.493 27.740 -0.150 0.000 2.447 364 C HN 0.785 nan 8.230 nan 0.000 0.670 365 K N 1.418 121.659 120.400 -0.266 0.000 2.527 365 K HA 0.744 5.064 4.320 0.001 0.000 0.260 365 K C -1.026 175.517 176.600 -0.095 0.000 0.937 365 K CA -0.264 55.794 56.287 -0.381 0.000 0.826 365 K CB 2.372 34.143 32.500 -1.216 0.000 1.359 365 K HN 0.522 nan 8.250 nan 0.000 0.434 366 M N 0.527 120.274 119.600 0.245 0.000 2.644 366 M HA 0.689 5.170 4.480 0.001 0.000 0.273 366 M C -1.689 175.024 176.300 0.688 0.000 1.253 366 M CA -0.977 54.579 55.300 0.426 0.000 0.852 366 M CB 2.071 34.755 32.600 0.142 0.000 1.708 366 M HN 0.579 nan 8.290 nan 0.000 0.471 367 F N 0.680 120.872 119.950 0.403 0.000 2.693 367 F HA 0.888 5.415 4.527 0.001 0.000 0.309 367 F C -1.729 174.198 175.800 0.213 0.000 1.129 367 F CA -1.089 57.098 58.000 0.311 0.000 0.948 367 F CB 1.174 40.288 39.000 0.189 0.000 1.315 367 F HN 0.833 nan 8.300 nan 0.000 0.447 368 I N 0.161 121.029 120.570 0.496 0.000 3.206 368 I HA 0.642 4.813 4.170 0.001 0.000 0.313 368 I C -1.005 175.393 176.117 0.468 0.000 1.103 368 I CA -1.434 60.082 61.300 0.360 0.000 0.985 368 I CB 2.007 40.131 38.000 0.207 0.000 1.240 368 I HN 0.467 nan 8.210 nan 0.000 0.464 369 I N 2.245 123.046 120.570 0.386 0.000 2.395 369 I HA 0.118 4.288 4.170 0.001 0.000 0.289 369 I C 0.805 177.044 176.117 0.204 0.000 1.023 369 I CA 0.344 61.816 61.300 0.287 0.000 1.350 369 I CB 0.767 38.931 38.000 0.274 0.000 1.409 369 I HN 0.814 nan 8.210 nan 0.000 0.507 370 D N 4.761 125.249 120.400 0.148 0.000 2.201 370 D HA -0.005 4.636 4.640 0.001 0.000 0.209 370 D C 0.429 176.796 176.300 0.111 0.000 0.961 370 D CA 0.972 55.047 54.000 0.126 0.000 0.861 370 D CB 1.012 41.859 40.800 0.079 0.000 0.997 370 D HN 0.684 nan 8.370 nan 0.000 0.486 371 K N -1.185 119.272 120.400 0.094 0.000 2.660 371 K HA 0.397 4.717 4.320 0.001 0.000 0.285 371 K C -2.056 174.595 176.600 0.084 0.000 0.997 371 K CA -0.840 55.499 56.287 0.086 0.000 0.861 371 K CB 1.608 34.150 32.500 0.070 0.000 1.469 371 K HN -0.242 nan 8.250 nan 0.000 0.395 372 V N 1.787 121.753 119.914 0.087 0.000 2.569 372 V HA 0.512 4.632 4.120 0.001 0.000 0.301 372 V C -1.572 174.580 176.094 0.096 0.000 1.044 372 V CA -0.386 61.966 62.300 0.087 0.000 0.874 372 V CB 1.760 33.629 31.823 0.077 0.000 1.002 372 V HN 0.886 nan 8.190 nan 0.000 0.424 373 D N 3.356 123.834 120.400 0.130 0.000 2.328 373 D HA 0.537 5.178 4.640 0.001 0.000 0.243 373 D C 0.617 177.026 176.300 0.182 0.000 1.324 373 D CA 1.043 55.135 54.000 0.153 0.000 0.966 373 D CB 1.313 42.211 40.800 0.163 0.000 1.324 373 D HN 0.861 nan 8.370 nan 0.000 0.549 374 G N 3.908 112.758 108.800 0.084 0.000 2.596 374 G HA2 -0.364 3.597 3.960 0.001 0.000 0.304 374 G HA3 -0.364 3.597 3.960 0.001 0.000 0.304 374 G C 0.786 175.642 174.900 -0.074 0.000 1.189 374 G CA 0.517 45.625 45.100 0.013 0.000 0.986 374 G HN 0.500 nan 8.290 nan 0.000 0.548 375 D N 0.886 121.138 120.400 -0.246 0.000 2.371 375 D HA 0.138 4.779 4.640 0.001 0.000 0.221 375 D C 0.794 176.847 176.300 -0.411 0.000 0.986 375 D CA 0.774 54.543 54.000 -0.385 0.000 0.899 375 D CB -0.059 40.421 40.800 -0.534 0.000 0.902 375 D HN 0.188 nan 8.370 nan 0.000 0.530 376 F N 0.353 120.294 119.950 -0.015 0.000 2.399 376 F HA 0.366 4.893 4.527 0.001 0.000 0.334 376 F C 0.483 176.273 175.800 -0.017 0.000 1.097 376 F CA -1.070 56.920 58.000 -0.017 0.000 1.076 376 F CB 1.555 40.548 39.000 -0.011 0.000 1.162 376 F HN -0.205 nan 8.300 nan 0.000 0.495 377 C N 2.568 121.973 119.300 0.175 0.000 3.006 377 C HA 0.772 5.233 4.460 0.001 0.000 0.359 377 C C -0.925 174.092 174.990 0.045 0.000 1.103 377 C CA -0.398 58.667 59.018 0.079 0.000 1.286 377 C CB 0.509 28.259 27.740 0.017 0.000 1.694 377 C HN 1.015 nan 8.230 nan 0.000 0.511 378 S N 5.778 121.497 115.700 0.031 0.000 2.570 378 S HA 0.871 5.341 4.470 0.001 0.000 0.286 378 S C -1.308 173.288 174.600 -0.006 0.000 1.099 378 S CA -0.717 57.482 58.200 -0.002 0.000 0.913 378 S CB 1.313 64.515 63.200 0.003 0.000 1.085 378 S HN 0.877 nan 8.310 nan 0.000 0.480 379 L N 1.772 122.960 121.223 -0.058 0.000 2.334 379 L HA 0.574 4.915 4.340 0.001 0.000 0.273 379 L C -0.496 176.345 176.870 -0.049 0.000 1.013 379 L CA -1.007 53.801 54.840 -0.053 0.000 0.816 379 L CB 1.565 43.470 42.059 -0.257 0.000 1.278 379 L HN 0.652 nan 8.230 nan 0.000 0.431 380 N N 1.719 120.428 118.700 0.015 0.000 2.589 380 N HA 0.208 4.949 4.740 0.001 0.000 0.232 380 N C -1.006 174.393 175.510 -0.184 0.000 1.015 380 N CA -0.201 52.766 53.050 -0.139 0.000 0.931 380 N CB 0.601 39.041 38.487 -0.077 0.000 1.150 380 N HN 0.522 nan 8.380 nan 0.000 0.512 381 E N 1.695 121.721 120.200 -0.290 0.000 2.231 381 E HA 0.412 4.763 4.350 0.001 0.000 0.277 381 E C -0.728 175.617 176.600 -0.425 0.000 0.999 381 E CA -0.420 55.946 56.400 -0.057 0.000 0.827 381 E CB 1.266 31.034 29.700 0.112 0.000 1.101 381 E HN 0.323 nan 8.360 nan 0.000 0.393 382 F N -0.049 119.967 119.950 0.109 0.000 2.603 382 F HA 0.419 4.946 4.527 0.001 0.000 0.317 382 F C 0.250 176.048 175.800 -0.003 0.000 1.066 382 F CA -0.844 57.164 58.000 0.014 0.000 0.941 382 F CB 1.915 40.891 39.000 -0.041 0.000 1.291 382 F HN 0.219 nan 8.300 nan 0.000 0.472 383 S N 1.128 116.915 115.700 0.145 0.000 2.621 383 S HA 0.850 5.321 4.470 0.001 0.000 0.302 383 S C -1.152 173.466 174.600 0.030 0.000 1.093 383 S CA -0.488 57.728 58.200 0.026 0.000 1.017 383 S CB 1.655 64.849 63.200 -0.009 0.000 1.077 383 S HN 0.331 nan 8.310 nan 0.000 0.517 384 I N 1.627 122.181 120.570 -0.026 0.000 2.534 384 I HA 0.332 4.503 4.170 0.001 0.000 0.288 384 I C 0.308 176.395 176.117 -0.050 0.000 1.077 384 I CA -0.371 60.909 61.300 -0.035 0.000 1.051 384 I CB 2.096 40.066 38.000 -0.051 0.000 1.234 384 I HN 0.686 nan 8.210 nan 0.000 0.425 385 T N 1.304 115.832 114.554 -0.043 0.000 2.927 385 T HA 0.853 5.203 4.350 0.001 0.000 0.281 385 T C 0.272 174.939 174.700 -0.056 0.000 0.998 385 T CA -0.439 61.633 62.100 -0.048 0.000 1.019 385 T CB 1.595 70.442 68.868 -0.035 0.000 1.061 385 T HN 1.471 nan 8.240 nan 0.000 0.518 386 G N 0.615 109.379 108.800 -0.059 0.000 3.238 386 G HA2 0.039 4.000 3.960 0.001 0.000 0.684 386 G HA3 0.039 4.000 3.960 0.001 0.000 0.684 386 G C 0.303 175.154 174.900 -0.082 0.000 1.156 386 G CA -0.073 44.989 45.100 -0.065 0.000 1.048 386 G HN 1.585 nan 8.290 nan 0.000 0.462 387 S N 0.338 115.988 115.700 -0.083 0.000 2.650 387 S HA 0.373 4.844 4.470 0.001 0.000 0.219 387 S C 1.131 175.642 174.600 -0.149 0.000 0.960 387 S CA 1.171 59.306 58.200 -0.108 0.000 0.925 387 S CB 0.572 63.718 63.200 -0.090 0.000 0.775 387 S HN 1.706 nan 8.310 nan 0.000 0.525 388 T N -0.423 114.055 114.554 -0.127 0.000 2.943 388 T HA 0.434 4.784 4.350 0.001 0.000 0.284 388 T C 0.342 174.956 174.700 -0.144 0.000 1.015 388 T CA -0.624 61.395 62.100 -0.135 0.000 1.042 388 T CB 0.500 69.343 68.868 -0.042 0.000 1.055 388 T HN 0.187 nan 8.240 nan 0.000 0.500 389 Y N 1.776 122.059 120.300 -0.029 0.000 2.574 389 Y HA 0.268 4.819 4.550 0.001 0.000 0.294 389 Y C 1.776 177.550 175.900 -0.210 0.000 1.142 389 Y CA 0.294 58.361 58.100 -0.056 0.000 1.314 389 Y CB -0.980 37.498 38.460 0.031 0.000 0.991 389 Y HN 0.710 nan 8.280 nan 0.000 0.555 390 A N 1.811 124.524 122.820 -0.178 0.000 2.462 390 A HA 0.164 4.485 4.320 0.001 0.000 0.243 390 A C -1.494 175.868 177.584 -0.371 0.000 1.076 390 A CA -1.085 50.588 52.037 -0.608 0.000 0.773 390 A CB -0.110 18.675 19.000 -0.359 0.000 1.010 390 A HN 0.078 nan 8.150 nan 0.000 0.493 391 P HA 0.049 nan 4.420 nan 0.000 0.269 391 P C -0.420 176.788 177.300 -0.153 0.000 1.461 391 P CA 0.415 63.384 63.100 -0.218 0.000 0.809 391 P CB -0.207 31.378 31.700 -0.191 0.000 1.503 392 E N 0.699 120.810 120.200 -0.147 0.000 1.996 392 E HA 0.537 4.888 4.350 0.001 0.000 0.280 392 E C 0.800 177.356 176.600 -0.072 0.000 1.092 392 E CA 0.131 56.477 56.400 -0.089 0.000 0.862 392 E CB 0.169 29.830 29.700 -0.066 0.000 1.066 392 E HN 0.257 nan 8.360 nan 0.000 0.396 393 G N 2.348 111.112 108.800 -0.061 0.000 2.315 393 G HA2 0.371 4.331 3.960 0.001 0.000 0.294 393 G HA3 0.371 4.331 3.960 0.001 0.000 0.294 393 G C -1.579 173.295 174.900 -0.043 0.000 1.300 393 G CA -0.808 44.262 45.100 -0.050 0.000 0.843 393 G HN 0.390 nan 8.290 nan 0.000 0.527 394 E N -1.781 118.398 120.200 -0.035 0.000 2.423 394 E HA 0.613 4.964 4.350 0.001 0.000 0.280 394 E C -1.531 175.060 176.600 -0.014 0.000 1.030 394 E CA -0.998 55.387 56.400 -0.025 0.000 0.812 394 E CB 1.835 31.528 29.700 -0.012 0.000 1.313 394 E HN 0.553 nan 8.360 nan 0.000 0.456 395 V N 1.409 121.320 119.914 -0.004 0.000 2.539 395 V HA 0.497 4.618 4.120 0.001 0.000 0.292 395 V C -0.085 176.058 176.094 0.083 0.000 1.045 395 V CA -0.527 61.786 62.300 0.022 0.000 0.945 395 V CB 0.854 32.657 31.823 -0.034 0.000 0.993 395 V HN 0.479 nan 8.190 nan 0.000 0.464 396 L N 3.370 124.672 121.223 0.132 0.000 2.422 396 L HA 0.653 4.994 4.340 0.001 0.000 0.264 396 L C -0.629 176.332 176.870 0.151 0.000 0.984 396 L CA -0.756 54.158 54.840 0.123 0.000 0.819 396 L CB 2.221 44.315 42.059 0.057 0.000 1.330 396 L HN 0.500 nan 8.230 nan 0.000 0.410 397 K N 1.676 122.130 120.400 0.091 0.000 2.274 397 K HA 0.384 4.704 4.320 0.001 0.000 0.262 397 K C -0.331 176.252 176.600 -0.029 0.000 0.961 397 K CA -0.520 55.733 56.287 -0.056 0.000 0.833 397 K CB 0.849 33.245 32.500 -0.174 0.000 1.102 397 K HN 0.689 nan 8.250 nan 0.000 0.436 398 N N 3.960 122.631 118.700 -0.048 0.000 2.714 398 N HA -0.232 4.508 4.740 0.001 0.000 0.252 398 N C -1.116 174.391 175.510 -0.006 0.000 1.014 398 N CA 0.971 54.006 53.050 -0.026 0.000 0.735 398 N CB -0.953 37.518 38.487 -0.027 0.000 0.924 398 N HN 0.891 nan 8.380 nan 0.000 0.540 399 D N -2.585 117.815 120.400 0.000 0.000 3.028 399 D HA -0.186 4.454 4.640 0.001 0.000 0.207 399 D C -0.528 175.781 176.300 0.014 0.000 1.100 399 D CA 1.430 55.433 54.000 0.005 0.000 0.995 399 D CB -0.523 40.276 40.800 -0.002 0.000 1.108 399 D HN 0.628 nan 8.370 nan 0.000 0.421 400 K N 0.284 120.699 120.400 0.025 0.000 2.307 400 K HA 0.465 4.786 4.320 0.001 0.000 0.263 400 K C -2.616 174.017 176.600 0.055 0.000 0.973 400 K CA -1.930 54.377 56.287 0.034 0.000 0.846 400 K CB 1.753 34.273 32.500 0.034 0.000 1.100 400 K HN -0.142 nan 8.250 nan 0.000 0.438 401 P HA -0.052 nan 4.420 nan 0.000 0.265 401 P C -0.834 176.518 177.300 0.087 0.000 1.187 401 P CA 0.070 63.205 63.100 0.058 0.000 0.766 401 P CB 0.336 32.058 31.700 0.037 0.000 0.820 402 I N -1.171 119.470 120.570 0.118 0.000 3.145 402 I HA 0.588 4.758 4.170 0.001 0.000 0.313 402 I C -0.374 175.821 176.117 0.130 0.000 1.122 402 I CA -1.434 59.966 61.300 0.166 0.000 0.987 402 I CB 1.855 40.045 38.000 0.315 0.000 1.236 402 I HN 0.004 nan 8.210 nan 0.000 0.453 403 R N 1.735 122.316 120.500 0.135 0.000 2.210 403 R HA 0.352 4.692 4.340 0.001 0.000 0.338 403 R C 0.412 176.784 176.300 0.120 0.000 1.062 403 R CA 0.021 56.167 56.100 0.076 0.000 0.902 403 R CB 0.953 31.272 30.300 0.032 0.000 1.050 403 R HN 0.948 nan 8.270 nan 0.000 0.461 404 S N 2.602 118.324 115.700 0.038 0.000 2.359 404 S HA -0.156 4.314 4.470 0.001 0.000 0.224 404 S C 1.815 176.417 174.600 0.003 0.000 1.035 404 S CA 1.704 59.892 58.200 -0.022 0.000 1.018 404 S CB -0.106 63.006 63.200 -0.146 0.000 0.876 404 S HN 0.901 nan 8.310 nan 0.000 0.448 405 G N 0.308 109.069 108.800 -0.065 0.000 2.501 405 G HA2 -0.240 3.721 3.960 0.001 0.000 0.220 405 G HA3 -0.240 3.721 3.960 0.001 0.000 0.220 405 G C 1.097 175.953 174.900 -0.074 0.000 1.114 405 G CA 0.582 45.614 45.100 -0.114 0.000 0.757 405 G HN 0.536 nan 8.290 nan 0.000 0.559 406 Q N -0.781 118.977 119.800 -0.071 0.000 2.444 406 Q HA 0.163 4.504 4.340 0.001 0.000 0.206 406 Q C -0.553 175.179 176.000 -0.446 0.000 0.948 406 Q CA -0.143 55.517 55.803 -0.238 0.000 0.946 406 Q CB 0.017 28.570 28.738 -0.308 0.000 1.027 406 Q HN 0.411 nan 8.270 nan 0.000 0.513 407 F N 0.309 120.246 119.950 -0.021 0.000 2.403 407 F HA 0.238 4.766 4.527 0.001 0.000 0.355 407 F C 0.559 176.335 175.800 -0.039 0.000 1.119 407 F CA -1.047 56.957 58.000 0.007 0.000 1.007 407 F CB 1.450 40.483 39.000 0.056 0.000 1.194 407 F HN -0.080 nan 8.300 nan 0.000 0.443 408 D N 2.502 122.967 120.400 0.109 0.000 2.123 408 D HA -0.166 4.475 4.640 0.001 0.000 0.196 408 D C 2.272 178.601 176.300 0.049 0.000 0.992 408 D CA 1.611 55.643 54.000 0.054 0.000 0.833 408 D CB -0.258 40.573 40.800 0.053 0.000 0.954 408 D HN 0.804 nan 8.370 nan 0.000 0.455 409 G N 1.311 110.171 108.800 0.100 0.000 2.476 409 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 409 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 409 G C 1.825 176.717 174.900 -0.013 0.000 1.164 409 G CA 0.387 45.525 45.100 0.063 0.000 0.768 409 G HN 0.252 nan 8.290 nan 0.000 0.560 410 L N 0.122 121.336 121.223 -0.015 0.000 2.083 410 L HA -0.091 4.249 4.340 0.001 0.000 0.209 410 L C 3.035 179.800 176.870 -0.174 0.000 1.083 410 L CA 0.481 55.233 54.840 -0.146 0.000 0.752 410 L CB -0.468 41.455 42.059 -0.226 0.000 0.899 410 L HN 0.117 nan 8.230 nan 0.000 0.433 411 V N -0.042 119.780 119.914 -0.153 0.000 2.287 411 V HA -0.327 3.794 4.120 0.001 0.000 0.248 411 V C 2.454 178.434 176.094 -0.191 0.000 1.053 411 V CA 2.081 64.240 62.300 -0.236 0.000 1.027 411 V CB -0.448 31.254 31.823 -0.202 0.000 0.646 411 V HN 0.494 nan 8.190 nan 0.000 0.447 412 E N -0.368 119.756 120.200 -0.127 0.000 2.110 412 E HA -0.214 4.137 4.350 0.001 0.000 0.193 412 E C 2.241 178.719 176.600 -0.204 0.000 0.988 412 E CA 1.029 57.344 56.400 -0.142 0.000 0.804 412 E CB -0.114 29.542 29.700 -0.074 0.000 0.745 412 E HN 0.413 nan 8.360 nan 0.000 0.458 413 L N 0.905 122.018 121.223 -0.185 0.000 2.012 413 L HA -0.156 4.184 4.340 0.001 0.000 0.210 413 L C 2.241 178.984 176.870 -0.211 0.000 1.073 413 L CA 2.378 57.098 54.840 -0.200 0.000 0.748 413 L CB -1.382 40.563 42.059 -0.190 0.000 0.891 413 L HN 0.164 nan 8.230 nan 0.000 0.431 414 A N -0.895 121.796 122.820 -0.216 0.000 1.898 414 A HA -0.167 4.153 4.320 0.001 0.000 0.216 414 A C 2.181 179.633 177.584 -0.220 0.000 1.181 414 A CA 2.034 53.948 52.037 -0.206 0.000 0.620 414 A CB -1.005 17.863 19.000 -0.221 0.000 0.819 414 A HN 0.533 nan 8.150 nan 0.000 0.442 415 T N 0.745 115.141 114.554 -0.263 0.000 2.607 415 T HA -0.209 4.141 4.350 0.001 0.000 0.267 415 T C 1.802 176.206 174.700 -0.493 0.000 1.049 415 T CA 1.840 63.730 62.100 -0.349 0.000 1.162 415 T CB -0.534 68.084 68.868 -0.416 0.000 0.863 415 T HN 0.424 nan 8.240 nan 0.000 0.424 416 I N 0.747 120.999 120.570 -0.531 0.000 2.163 416 I HA -0.218 3.952 4.170 0.001 0.000 0.243 416 I C 2.821 178.806 176.117 -0.219 0.000 1.085 416 I CA 0.989 62.030 61.300 -0.431 0.000 1.347 416 I CB -0.565 37.285 38.000 -0.251 0.000 1.044 416 I HN 0.340 nan 8.210 nan 0.000 0.408 417 C N 0.650 119.843 119.300 -0.179 0.000 2.401 417 C HA -0.228 4.233 4.460 0.001 0.000 0.276 417 C C 3.140 178.075 174.990 -0.093 0.000 1.233 417 C CA 1.140 60.090 59.018 -0.113 0.000 1.753 417 C CB -1.369 26.305 27.740 -0.109 0.000 2.029 417 C HN 0.631 nan 8.230 nan 0.000 0.478 418 A N -0.225 122.525 122.820 -0.117 0.000 1.874 418 A HA 0.049 4.370 4.320 0.001 0.000 0.214 418 A C 2.082 179.633 177.584 -0.055 0.000 1.189 418 A CA 1.150 53.140 52.037 -0.077 0.000 0.615 418 A CB -0.468 18.488 19.000 -0.074 0.000 0.830 418 A HN 0.566 nan 8.150 nan 0.000 0.443 419 L N -1.131 120.043 121.223 -0.083 0.000 2.095 419 L HA -0.055 4.285 4.340 0.001 0.000 0.204 419 L C 1.601 178.494 176.870 0.040 0.000 1.080 419 L CA 0.460 55.296 54.840 -0.006 0.000 0.759 419 L CB -0.340 41.742 42.059 0.037 0.000 0.914 419 L HN 0.455 nan 8.230 nan 0.000 0.439 420 C N 2.657 121.976 119.300 0.032 0.000 2.756 420 C HA 0.288 4.749 4.460 0.001 0.000 0.504 420 C C 0.169 175.185 174.990 0.044 0.000 1.028 420 C CA -0.307 58.753 59.018 0.070 0.000 1.167 420 C CB -2.360 25.435 27.740 0.093 0.000 1.444 420 C HN 0.402 nan 8.230 nan 0.000 0.577 421 N N 1.944 120.668 118.700 0.040 0.000 2.777 421 N HA 0.127 4.868 4.740 0.001 0.000 0.260 421 N C -0.403 175.123 175.510 0.028 0.000 1.113 421 N CA -0.208 52.856 53.050 0.024 0.000 0.996 421 N CB 1.204 39.692 38.487 0.002 0.000 1.584 421 N HN 0.416 nan 8.380 nan 0.000 0.573 422 D N 0.389 120.807 120.400 0.029 0.000 2.354 422 D HA 0.151 4.791 4.640 0.001 0.000 0.209 422 D C 0.037 176.345 176.300 0.013 0.000 1.015 422 D CA 0.624 54.642 54.000 0.029 0.000 0.867 422 D CB 0.674 41.499 40.800 0.043 0.000 0.933 422 D HN 0.362 nan 8.370 nan 0.000 0.520 423 S N -0.567 115.132 115.700 -0.001 0.000 2.738 423 S HA 0.635 5.105 4.470 0.001 0.000 0.284 423 S C 0.412 175.000 174.600 -0.020 0.000 1.146 423 S CA -0.612 57.577 58.200 -0.018 0.000 0.997 423 S CB 2.027 65.204 63.200 -0.038 0.000 1.081 423 S HN 0.248 nan 8.310 nan 0.000 0.553 424 S N -0.569 115.111 115.700 -0.033 0.000 2.800 424 S HA 0.686 5.157 4.470 0.001 0.000 0.293 424 S C -1.677 172.901 174.600 -0.038 0.000 1.209 424 S CA -0.869 57.317 58.200 -0.023 0.000 0.884 424 S CB 0.368 63.567 63.200 -0.001 0.000 1.244 424 S HN 0.500 nan 8.310 nan 0.000 0.540 425 L N 0.994 122.220 121.223 0.004 0.000 2.346 425 L HA 0.709 5.049 4.340 0.001 0.000 0.274 425 L C -1.540 175.389 176.870 0.098 0.000 1.007 425 L CA -0.477 54.390 54.840 0.045 0.000 0.818 425 L CB 1.864 43.975 42.059 0.087 0.000 1.284 425 L HN 0.806 nan 8.230 nan 0.000 0.424 426 D N 1.818 122.293 120.400 0.125 0.000 2.649 426 D HA 0.216 4.856 4.640 0.001 0.000 0.249 426 D C -1.270 175.120 176.300 0.149 0.000 1.112 426 D CA -0.304 53.768 54.000 0.119 0.000 0.850 426 D CB 1.722 42.540 40.800 0.031 0.000 1.399 426 D HN 0.146 nan 8.370 nan 0.000 0.503 427 F N 4.645 124.532 119.950 -0.105 0.000 2.377 427 F HA 0.321 4.849 4.527 0.001 0.000 0.360 427 F C 0.120 175.772 175.800 -0.246 0.000 1.147 427 F CA -0.880 56.866 58.000 -0.423 0.000 1.170 427 F CB -0.070 38.635 39.000 -0.493 0.000 1.339 427 F HN 0.186 nan 8.300 nan 0.000 0.552 428 N N 5.132 123.507 118.700 -0.541 0.000 2.400 428 N HA -0.029 4.712 4.740 0.001 0.000 0.267 428 N C 0.677 175.749 175.510 -0.730 0.000 1.208 428 N CA 0.332 53.096 53.050 -0.478 0.000 0.951 428 N CB 0.401 38.743 38.487 -0.242 0.000 1.227 428 N HN 0.739 nan 8.380 nan 0.000 0.488 429 E N 1.318 121.103 120.200 -0.692 0.000 2.482 429 E HA -0.041 4.309 4.350 0.001 0.000 0.196 429 E C 0.695 177.109 176.600 -0.310 0.000 1.047 429 E CA 0.652 56.685 56.400 -0.612 0.000 0.869 429 E CB 0.361 29.826 29.700 -0.393 0.000 0.836 429 E HN 0.594 nan 8.360 nan 0.000 0.520 430 T N 0.424 114.832 114.554 -0.242 0.000 3.023 430 T HA -0.004 4.346 4.350 0.001 0.000 0.266 430 T C 1.496 176.121 174.700 -0.125 0.000 1.093 430 T CA 0.860 62.874 62.100 -0.144 0.000 1.129 430 T CB 0.152 68.955 68.868 -0.108 0.000 0.899 430 T HN -0.022 nan 8.240 nan 0.000 0.491 431 K N -0.610 119.690 120.400 -0.167 0.000 2.403 431 K HA 0.456 4.777 4.320 0.001 0.000 0.199 431 K C 1.706 178.250 176.600 -0.094 0.000 1.199 431 K CA 0.669 56.892 56.287 -0.107 0.000 0.924 431 K CB 0.440 32.892 32.500 -0.080 0.000 1.137 431 K HN 0.213 nan 8.250 nan 0.000 0.510 432 G N 0.777 109.459 108.800 -0.198 0.000 2.420 432 G HA2 -0.296 3.665 3.960 0.001 0.000 0.221 432 G HA3 -0.296 3.665 3.960 0.001 0.000 0.221 432 G C 0.186 175.150 174.900 0.108 0.000 1.117 432 G CA 0.047 45.127 45.100 -0.033 0.000 0.657 432 G HN 0.372 nan 8.290 nan 0.000 0.512 433 V N -0.156 119.796 119.914 0.063 0.000 2.715 433 V HA 0.657 4.778 4.120 0.001 0.000 0.299 433 V C 0.635 176.814 176.094 0.141 0.000 1.054 433 V CA -1.350 61.046 62.300 0.161 0.000 1.077 433 V CB 0.424 32.330 31.823 0.137 0.000 0.972 433 V HN 0.406 nan 8.190 nan 0.000 0.484 434 Y N 2.413 122.844 120.300 0.217 0.000 2.397 434 Y HA 0.453 5.004 4.550 0.001 0.000 0.335 434 Y C 0.904 176.908 175.900 0.175 0.000 1.213 434 Y CA 0.183 58.413 58.100 0.217 0.000 1.391 434 Y CB 0.602 39.201 38.460 0.232 0.000 1.293 434 Y HN 0.731 nan 8.280 nan 0.000 0.557 435 E N 2.056 122.391 120.200 0.225 0.000 2.266 435 E HA 0.221 4.571 4.350 0.001 0.000 0.268 435 E C -1.074 175.476 176.600 -0.084 0.000 0.879 435 E CA -1.315 55.139 56.400 0.091 0.000 0.762 435 E CB 1.872 31.597 29.700 0.041 0.000 1.199 435 E HN 0.479 nan 8.360 nan 0.000 0.422 436 K N 0.657 120.880 120.400 -0.294 0.000 2.448 436 K HA 0.132 4.453 4.320 0.001 0.000 0.278 436 K C -0.510 175.982 176.600 -0.180 0.000 1.009 436 K CA -0.116 55.911 56.287 -0.433 0.000 0.995 436 K CB 0.519 32.698 32.500 -0.535 0.000 0.917 436 K HN 0.146 nan 8.250 nan 0.000 0.481 437 V N 3.418 123.244 119.914 -0.147 0.000 2.225 437 V HA 0.441 4.562 4.120 0.001 0.000 0.264 437 V C 0.616 176.671 176.094 -0.066 0.000 1.067 437 V CA 0.216 62.472 62.300 -0.074 0.000 0.903 437 V CB -0.384 31.414 31.823 -0.042 0.000 1.136 437 V HN 1.176 nan 8.190 nan 0.000 0.456 438 G N 2.272 111.035 108.800 -0.062 0.000 2.217 438 G HA2 -0.055 3.906 3.960 0.001 0.000 0.173 438 G HA3 -0.055 3.906 3.960 0.001 0.000 0.173 438 G C -0.836 174.036 174.900 -0.046 0.000 1.324 438 G CA -0.713 44.362 45.100 -0.042 0.000 1.225 438 G HN 0.312 nan 8.290 nan 0.000 0.494 439 E N 1.174 121.349 120.200 -0.041 0.000 2.338 439 E HA 0.525 4.876 4.350 0.001 0.000 0.272 439 E C 1.469 178.046 176.600 -0.039 0.000 1.029 439 E CA 0.388 56.765 56.400 -0.040 0.000 0.872 439 E CB 1.441 31.110 29.700 -0.051 0.000 1.015 439 E HN 0.819 nan 8.360 nan 0.000 0.417 440 A N 3.477 126.294 122.820 -0.005 0.000 1.877 440 A HA -0.181 4.139 4.320 0.001 0.000 0.216 440 A C 2.098 179.732 177.584 0.084 0.000 1.186 440 A CA 2.156 54.233 52.037 0.066 0.000 0.620 440 A CB -0.602 18.474 19.000 0.126 0.000 0.822 440 A HN 0.674 nan 8.150 nan 0.000 0.443 441 T N 0.224 114.797 114.554 0.032 0.000 2.699 441 T HA -0.189 4.162 4.350 0.001 0.000 0.268 441 T C 1.734 176.440 174.700 0.010 0.000 1.036 441 T CA 1.789 63.898 62.100 0.016 0.000 1.147 441 T CB -0.327 68.522 68.868 -0.031 0.000 0.862 441 T HN 0.651 nan 8.240 nan 0.000 0.446 442 E N 0.474 120.667 120.200 -0.012 0.000 2.072 442 E HA -0.076 4.275 4.350 0.001 0.000 0.190 442 E C 2.474 179.067 176.600 -0.012 0.000 0.982 442 E CA 1.306 57.697 56.400 -0.015 0.000 0.803 442 E CB -0.243 29.444 29.700 -0.023 0.000 0.755 442 E HN 0.444 nan 8.360 nan 0.000 0.453 443 T N 1.208 115.746 114.554 -0.026 0.000 2.867 443 T HA -0.101 4.249 4.350 0.001 0.000 0.268 443 T C 2.029 176.757 174.700 0.046 0.000 1.057 443 T CA 0.977 63.042 62.100 -0.058 0.000 1.136 443 T CB -0.165 68.549 68.868 -0.256 0.000 0.874 443 T HN 0.213 nan 8.240 nan 0.000 0.466 444 A N 1.381 124.279 122.820 0.130 0.000 1.948 444 A HA -0.060 4.261 4.320 0.001 0.000 0.220 444 A C 2.114 179.723 177.584 0.040 0.000 1.177 444 A CA 1.235 53.348 52.037 0.126 0.000 0.636 444 A CB -0.656 18.402 19.000 0.097 0.000 0.815 444 A HN 0.329 nan 8.150 nan 0.000 0.449 445 L N -0.380 120.851 121.223 0.014 0.000 2.023 445 L HA -0.079 4.261 4.340 0.001 0.000 0.205 445 L C 2.748 179.603 176.870 -0.026 0.000 1.073 445 L CA 2.408 57.237 54.840 -0.017 0.000 0.745 445 L CB -1.670 40.375 42.059 -0.024 0.000 0.900 445 L HN 0.400 nan 8.230 nan 0.000 0.435 446 T N -1.040 113.502 114.554 -0.019 0.000 2.653 446 T HA -0.255 4.095 4.350 0.001 0.000 0.268 446 T C 1.791 176.477 174.700 -0.024 0.000 1.035 446 T CA 2.186 64.272 62.100 -0.023 0.000 1.154 446 T CB -0.630 68.225 68.868 -0.022 0.000 0.862 446 T HN 0.337 nan 8.240 nan 0.000 0.441 447 T N 2.076 116.627 114.554 -0.006 0.000 2.821 447 T HA -0.000 4.350 4.350 0.001 0.000 0.267 447 T C 1.889 176.565 174.700 -0.040 0.000 1.046 447 T CA 0.746 62.837 62.100 -0.015 0.000 1.139 447 T CB -0.475 68.418 68.868 0.041 0.000 0.871 447 T HN 0.120 nan 8.240 nan 0.000 0.454 448 L N 2.228 123.429 121.223 -0.038 0.000 2.012 448 L HA -0.082 4.259 4.340 0.001 0.000 0.210 448 L C 2.641 179.463 176.870 -0.079 0.000 1.073 448 L CA 1.788 56.592 54.840 -0.061 0.000 0.748 448 L CB -0.987 41.035 42.059 -0.063 0.000 0.891 448 L HN 0.263 nan 8.230 nan 0.000 0.431 449 V N -2.027 117.841 119.914 -0.077 0.000 2.515 449 V HA -0.153 3.968 4.120 0.001 0.000 0.250 449 V C 2.335 178.381 176.094 -0.080 0.000 1.058 449 V CA 1.665 63.911 62.300 -0.091 0.000 1.064 449 V CB -0.668 31.102 31.823 -0.088 0.000 0.675 449 V HN 0.512 nan 8.190 nan 0.000 0.461 450 E N 1.079 121.240 120.200 -0.065 0.000 2.077 450 E HA -0.188 4.163 4.350 0.001 0.000 0.193 450 E C 2.229 178.789 176.600 -0.068 0.000 0.989 450 E CA 1.762 58.126 56.400 -0.060 0.000 0.800 450 E CB -0.321 29.342 29.700 -0.062 0.000 0.746 450 E HN 0.699 nan 8.360 nan 0.000 0.452 451 K N -0.065 120.289 120.400 -0.076 0.000 2.155 451 K HA 0.038 4.359 4.320 0.001 0.000 0.203 451 K C 2.249 178.801 176.600 -0.080 0.000 1.052 451 K CA 0.797 57.039 56.287 -0.075 0.000 0.948 451 K CB -0.047 32.408 32.500 -0.075 0.000 0.728 451 K HN 0.105 nan 8.250 nan 0.000 0.448 452 M N 0.342 119.882 119.600 -0.099 0.000 2.156 452 M HA -0.082 4.398 4.480 0.001 0.000 0.264 452 M C 0.444 176.674 176.300 -0.118 0.000 1.067 452 M CA 0.478 55.702 55.300 -0.126 0.000 1.131 452 M CB -0.272 32.229 32.600 -0.165 0.000 1.368 452 M HN 0.096 nan 8.290 nan 0.000 0.416 453 N N 1.163 119.801 118.700 -0.104 0.000 2.686 453 N HA -0.127 4.613 4.740 0.001 0.000 0.261 453 N C 0.497 175.932 175.510 -0.124 0.000 1.001 453 N CA 0.574 53.574 53.050 -0.083 0.000 0.764 453 N CB -0.598 37.861 38.487 -0.048 0.000 0.898 453 N HN 0.366 nan 8.380 nan 0.000 0.544 454 V N -2.545 117.226 119.914 -0.239 0.000 2.720 454 V HA -0.065 4.055 4.120 0.001 0.000 0.256 454 V C 1.560 177.355 176.094 -0.498 0.000 1.082 454 V CA 1.536 63.585 62.300 -0.418 0.000 1.101 454 V CB -0.665 30.785 31.823 -0.622 0.000 0.693 454 V HN 0.251 nan 8.190 nan 0.000 0.479 455 F N 1.056 120.985 119.950 -0.035 0.000 2.678 455 F HA 0.485 5.013 4.527 0.001 0.000 0.305 455 F C 1.189 176.975 175.800 -0.024 0.000 1.090 455 F CA -0.751 57.232 58.000 -0.029 0.000 1.272 455 F CB -0.594 38.388 39.000 -0.030 0.000 1.060 455 F HN 0.219 nan 8.300 nan 0.000 0.576 456 N N 0.423 119.176 118.700 0.088 0.000 2.747 456 N HA -0.154 4.586 4.740 0.001 0.000 0.249 456 N C -0.284 175.259 175.510 0.054 0.000 1.107 456 N CA 0.998 54.079 53.050 0.051 0.000 0.707 456 N CB -1.874 36.638 38.487 0.043 0.000 1.054 456 N HN 0.231 nan 8.380 nan 0.000 0.555 457 T N 0.394 114.989 114.554 0.067 0.000 2.940 457 T HA 0.058 4.409 4.350 0.001 0.000 0.309 457 T C 0.662 175.376 174.700 0.024 0.000 1.056 457 T CA -0.224 61.904 62.100 0.047 0.000 1.137 457 T CB 1.358 70.257 68.868 0.052 0.000 0.976 457 T HN -0.028 nan 8.240 nan 0.000 0.547 458 E N 2.432 122.642 120.200 0.016 0.000 1.985 458 E HA 0.113 4.464 4.350 0.001 0.000 0.268 458 E C 1.175 177.778 176.600 0.004 0.000 1.219 458 E CA -0.065 56.340 56.400 0.008 0.000 0.942 458 E CB 0.553 30.257 29.700 0.006 0.000 1.045 458 E HN 0.629 nan 8.360 nan 0.000 0.413 459 V N 1.847 121.761 119.914 0.000 0.000 3.431 459 V HA -0.020 4.101 4.120 0.001 0.000 0.253 459 V C 1.885 177.973 176.094 -0.010 0.000 1.184 459 V CA 0.375 62.672 62.300 -0.005 0.000 1.104 459 V CB -0.209 31.608 31.823 -0.009 0.000 0.799 459 V HN 0.474 nan 8.190 nan 0.000 0.462 460 R N 1.511 122.005 120.500 -0.009 0.000 2.200 460 R HA -0.093 4.248 4.340 0.001 0.000 0.234 460 R C 1.590 177.885 176.300 -0.009 0.000 1.127 460 R CA 2.187 58.280 56.100 -0.011 0.000 0.989 460 R CB -1.072 29.223 30.300 -0.008 0.000 0.869 460 R HN 0.632 nan 8.270 nan 0.000 0.459 461 N N 0.500 119.197 118.700 -0.006 0.000 2.333 461 N HA 0.075 4.816 4.740 0.001 0.000 0.178 461 N C 0.346 175.854 175.510 -0.004 0.000 1.018 461 N CA 0.187 53.235 53.050 -0.003 0.000 0.882 461 N CB 0.071 38.558 38.487 -0.001 0.000 0.984 461 N HN 0.037 nan 8.380 nan 0.000 0.434 462 L N 0.199 121.420 121.223 -0.005 0.000 2.470 462 L HA 0.118 4.458 4.340 0.001 0.000 0.243 462 L C 1.523 178.385 176.870 -0.012 0.000 1.227 462 L CA -0.448 54.390 54.840 -0.004 0.000 0.824 462 L CB 0.440 42.499 42.059 -0.000 0.000 1.175 462 L HN 0.183 nan 8.230 nan 0.000 0.503 463 S N 0.145 115.839 115.700 -0.011 0.000 2.792 463 S HA 0.112 4.583 4.470 0.001 0.000 0.177 463 S C 0.944 175.501 174.600 -0.071 0.000 1.171 463 S CA 0.123 58.309 58.200 -0.024 0.000 1.839 463 S CB 0.207 63.408 63.200 0.002 0.000 0.559 463 S HN 0.584 nan 8.310 nan 0.000 0.458 464 K N -1.244 119.090 120.400 -0.110 0.000 2.574 464 K HA 0.447 4.768 4.320 0.001 0.000 0.215 464 K C 1.258 177.701 176.600 -0.261 0.000 1.485 464 K CA 0.411 56.492 56.287 -0.343 0.000 1.006 464 K CB 0.372 32.459 32.500 -0.690 0.000 1.254 464 K HN 0.341 nan 8.250 nan 0.000 0.580 465 V N 0.894 120.837 119.914 0.049 0.000 2.825 465 V HA 0.060 4.181 4.120 0.001 0.000 0.246 465 V C 1.359 177.513 176.094 0.100 0.000 1.068 465 V CA 0.951 63.355 62.300 0.174 0.000 1.088 465 V CB 0.090 32.034 31.823 0.202 0.000 0.733 465 V HN 0.211 nan 8.190 nan 0.000 0.468 466 E N 0.383 120.617 120.200 0.057 0.000 2.478 466 E HA -0.154 4.197 4.350 0.001 0.000 0.198 466 E C 2.141 178.761 176.600 0.033 0.000 1.046 466 E CA 0.296 56.720 56.400 0.040 0.000 0.870 466 E CB 0.066 29.781 29.700 0.025 0.000 0.818 466 E HN 0.282 nan 8.360 nan 0.000 0.527 467 R N 0.684 121.204 120.500 0.034 0.000 2.173 467 R HA 0.093 4.433 4.340 0.001 0.000 0.208 467 R C 1.902 178.241 176.300 0.065 0.000 1.035 467 R CA 1.024 57.142 56.100 0.028 0.000 1.004 467 R CB -0.334 29.966 30.300 0.001 0.000 0.917 467 R HN 0.088 nan 8.270 nan 0.000 0.462 468 A N 0.495 123.399 122.820 0.140 0.000 1.908 468 A HA -0.107 4.214 4.320 0.001 0.000 0.218 468 A C 1.037 178.670 177.584 0.082 0.000 1.181 468 A CA 1.743 53.890 52.037 0.183 0.000 0.627 468 A CB -0.205 18.943 19.000 0.246 0.000 0.818 468 A HN 0.429 nan 8.150 nan 0.000 0.445 469 N N -1.686 117.050 118.700 0.059 0.000 2.451 469 N HA 0.370 5.111 4.740 0.001 0.000 0.271 469 N C 0.882 176.406 175.510 0.023 0.000 1.410 469 N CA 0.652 53.723 53.050 0.035 0.000 0.884 469 N CB 0.940 39.449 38.487 0.037 0.000 1.332 469 N HN 0.388 nan 8.380 nan 0.000 0.498 470 A N 0.310 123.141 122.820 0.019 0.000 1.825 470 A HA -0.088 4.232 4.320 0.001 0.000 0.214 470 A C 2.209 179.804 177.584 0.019 0.000 1.206 470 A CA 1.205 53.252 52.037 0.017 0.000 0.609 470 A CB -0.773 18.234 19.000 0.012 0.000 0.851 470 A HN 0.442 nan 8.150 nan 0.000 0.445 471 C N 0.253 119.561 119.300 0.012 0.000 2.419 471 C HA -0.049 4.411 4.460 0.001 0.000 0.283 471 C C 2.592 177.598 174.990 0.025 0.000 1.373 471 C CA 0.763 59.794 59.018 0.022 0.000 1.781 471 C CB -1.655 26.082 27.740 -0.006 0.000 1.886 471 C HN 0.581 nan 8.230 nan 0.000 0.520 472 N N 1.212 119.918 118.700 0.010 0.000 2.106 472 N HA -0.086 4.654 4.740 0.001 0.000 0.188 472 N C 1.887 177.407 175.510 0.017 0.000 1.029 472 N CA 1.396 54.450 53.050 0.006 0.000 0.848 472 N CB -0.304 38.183 38.487 -0.001 0.000 1.007 472 N HN 0.438 nan 8.380 nan 0.000 0.423 473 S N 0.685 116.396 115.700 0.019 0.000 2.399 473 S HA -0.054 4.417 4.470 0.001 0.000 0.231 473 S C 2.257 176.869 174.600 0.019 0.000 1.022 473 S CA 0.571 58.782 58.200 0.018 0.000 0.983 473 S CB -0.174 63.037 63.200 0.017 0.000 0.803 473 S HN 0.097 nan 8.310 nan 0.000 0.480 474 V N 1.960 121.893 119.914 0.032 0.000 2.295 474 V HA -0.156 3.964 4.120 0.001 0.000 0.246 474 V C 2.040 178.157 176.094 0.039 0.000 1.049 474 V CA 1.577 63.899 62.300 0.037 0.000 1.024 474 V CB -0.643 31.235 31.823 0.092 0.000 0.648 474 V HN 0.451 nan 8.190 nan 0.000 0.447 475 I N -0.586 120.030 120.570 0.076 0.000 2.315 475 I HA -0.192 3.978 4.170 0.001 0.000 0.248 475 I C 2.730 178.863 176.117 0.027 0.000 1.117 475 I CA 1.355 62.700 61.300 0.075 0.000 1.404 475 I CB -0.408 37.625 38.000 0.054 0.000 1.071 475 I HN 0.174 nan 8.210 nan 0.000 0.419 476 R N 0.438 120.949 120.500 0.018 0.000 2.096 476 R HA -0.158 4.183 4.340 0.001 0.000 0.235 476 R C 2.154 178.460 176.300 0.010 0.000 1.127 476 R CA 0.980 57.090 56.100 0.015 0.000 0.968 476 R CB -0.195 30.114 30.300 0.015 0.000 0.861 476 R HN 0.377 nan 8.270 nan 0.000 0.440 477 Q N 0.260 120.059 119.800 -0.001 0.000 2.439 477 Q HA -0.102 4.239 4.340 0.001 0.000 0.211 477 Q C 1.836 177.823 176.000 -0.022 0.000 0.978 477 Q CA 0.902 56.697 55.803 -0.014 0.000 0.897 477 Q CB -0.029 28.692 28.738 -0.028 0.000 0.956 477 Q HN 0.235 nan 8.270 nan 0.000 0.483 478 L N -0.971 120.241 121.223 -0.018 0.000 2.068 478 L HA 0.042 4.382 4.340 0.001 0.000 0.204 478 L C 0.773 177.649 176.870 0.010 0.000 1.076 478 L CA 1.273 56.102 54.840 -0.018 0.000 0.753 478 L CB 0.077 42.130 42.059 -0.010 0.000 0.910 478 L HN 0.131 nan 8.230 nan 0.000 0.439 479 M N -0.388 119.232 119.600 0.034 0.000 2.395 479 M HA 0.254 4.735 4.480 0.001 0.000 0.307 479 M C -0.429 175.891 176.300 0.034 0.000 1.091 479 M CA -0.510 54.820 55.300 0.049 0.000 0.919 479 M CB 1.712 34.387 32.600 0.126 0.000 1.662 479 M HN -0.126 nan 8.290 nan 0.000 0.440 480 K N 2.713 123.123 120.400 0.017 0.000 2.338 480 K HA 0.103 4.424 4.320 0.001 0.000 0.290 480 K C -0.008 176.599 176.600 0.012 0.000 1.069 480 K CA -0.017 56.281 56.287 0.018 0.000 0.941 480 K CB 0.558 33.068 32.500 0.018 0.000 1.023 480 K HN 0.499 nan 8.250 nan 0.000 0.477 481 K N 4.936 125.348 120.400 0.020 0.000 2.315 481 K HA -0.015 4.306 4.320 0.001 0.000 0.291 481 K C 0.214 176.820 176.600 0.010 0.000 1.074 481 K CA -0.048 56.242 56.287 0.005 0.000 0.936 481 K CB 0.610 33.124 32.500 0.024 0.000 1.049 481 K HN 0.621 nan 8.250 nan 0.000 0.471 482 E N 3.809 123.997 120.200 -0.021 0.000 2.042 482 E HA -0.014 4.336 4.350 0.001 0.000 0.189 482 E C 0.334 177.020 176.600 0.142 0.000 0.974 482 E CA 0.964 57.398 56.400 0.057 0.000 0.806 482 E CB -0.022 29.739 29.700 0.103 0.000 0.769 482 E HN 0.567 nan 8.360 nan 0.000 0.451 483 F N -0.897 119.085 119.950 0.053 0.000 2.711 483 F HA 0.563 5.091 4.527 0.001 0.000 0.313 483 F C -0.668 175.148 175.800 0.027 0.000 1.141 483 F CA -1.285 56.725 58.000 0.017 0.000 0.941 483 F CB 1.554 40.530 39.000 -0.040 0.000 1.349 483 F HN -0.235 nan 8.300 nan 0.000 0.464 484 T N 0.335 115.047 114.554 0.263 0.000 2.893 484 T HA 0.674 5.024 4.350 0.001 0.000 0.293 484 T C -1.246 173.540 174.700 0.142 0.000 1.027 484 T CA -0.805 61.382 62.100 0.144 0.000 0.988 484 T CB 1.381 70.311 68.868 0.102 0.000 1.043 484 T HN 0.850 nan 8.240 nan 0.000 0.461 485 L N 3.613 124.841 121.223 0.009 0.000 2.288 485 L HA 0.412 4.753 4.340 0.001 0.000 0.283 485 L C 0.251 177.160 176.870 0.065 0.000 1.072 485 L CA -1.073 53.624 54.840 -0.238 0.000 0.862 485 L CB -0.023 41.682 42.059 -0.591 0.000 1.245 485 L HN 0.715 nan 8.230 nan 0.000 0.432 486 E N 1.711 122.045 120.200 0.224 0.000 2.458 486 E HA -0.014 4.337 4.350 0.001 0.000 0.264 486 E C -0.346 176.448 176.600 0.323 0.000 1.097 486 E CA -0.300 56.271 56.400 0.284 0.000 0.973 486 E CB 0.293 30.173 29.700 0.300 0.000 0.963 486 E HN 0.319 nan 8.360 nan 0.000 0.451 487 F N 1.589 121.636 119.950 0.162 0.000 2.563 487 F HA 0.211 4.738 4.527 0.001 0.000 0.363 487 F C 0.202 176.095 175.800 0.156 0.000 1.123 487 F CA 0.428 58.515 58.000 0.145 0.000 1.307 487 F CB 0.503 39.568 39.000 0.107 0.000 1.115 487 F HN 0.485 nan 8.300 nan 0.000 0.592 488 S N 5.660 121.066 115.700 -0.491 0.000 2.564 488 S HA 0.483 4.953 4.470 0.001 0.000 0.274 488 S C 0.169 174.428 174.600 -0.567 0.000 1.124 488 S CA -1.098 56.943 58.200 -0.265 0.000 0.869 488 S CB 2.109 65.267 63.200 -0.071 0.000 1.105 488 S HN 0.775 nan 8.310 nan 0.000 0.472 489 R N 1.082 121.475 120.500 -0.178 0.000 2.235 489 R HA -0.005 4.335 4.340 0.001 0.000 0.213 489 R C 1.214 177.460 176.300 -0.090 0.000 1.059 489 R CA 1.360 57.412 56.100 -0.080 0.000 0.997 489 R CB -0.364 29.999 30.300 0.106 0.000 0.884 489 R HN 0.869 nan 8.270 nan 0.000 0.462 490 D N 1.772 122.113 120.400 -0.098 0.000 2.085 490 D HA -0.214 4.427 4.640 0.001 0.000 0.199 490 D C 1.840 178.091 176.300 -0.081 0.000 0.981 490 D CA 0.992 54.954 54.000 -0.063 0.000 0.834 490 D CB -0.336 40.434 40.800 -0.050 0.000 0.992 490 D HN 0.309 nan 8.370 nan 0.000 0.457 491 R N 1.119 121.544 120.500 -0.126 0.000 2.200 491 R HA 0.017 4.358 4.340 0.001 0.000 0.208 491 R C 0.562 176.783 176.300 -0.131 0.000 1.033 491 R CA 0.182 56.224 56.100 -0.097 0.000 1.000 491 R CB -0.403 29.861 30.300 -0.060 0.000 0.906 491 R HN -0.042 nan 8.270 nan 0.000 0.462 492 K N 1.459 121.665 120.400 -0.324 0.000 3.096 492 K HA -0.179 4.142 4.320 0.001 0.000 0.266 492 K C -0.771 175.777 176.600 -0.087 0.000 1.043 492 K CA 0.823 56.909 56.287 -0.335 0.000 0.758 492 K CB -1.627 30.893 32.500 0.033 0.000 1.260 492 K HN 0.671 nan 8.250 nan 0.000 0.481 493 S N -0.749 114.835 115.700 -0.193 0.000 2.607 493 S HA 0.823 5.294 4.470 0.001 0.000 0.273 493 S C -0.535 174.143 174.600 0.131 0.000 1.148 493 S CA -1.023 57.232 58.200 0.092 0.000 0.833 493 S CB 2.677 65.930 63.200 0.089 0.000 1.130 493 S HN 0.404 nan 8.310 nan 0.000 0.470 494 M N 0.408 120.143 119.600 0.225 0.000 2.618 494 M HA 0.855 5.335 4.480 0.001 0.000 0.281 494 M C -1.283 175.104 176.300 0.144 0.000 1.267 494 M CA -0.518 54.902 55.300 0.200 0.000 0.845 494 M CB 2.173 34.940 32.600 0.278 0.000 1.732 494 M HN 1.032 nan 8.290 nan 0.000 0.461 495 S N 0.673 116.437 115.700 0.107 0.000 2.618 495 S HA 0.912 5.382 4.470 0.001 0.000 0.277 495 S C -0.866 173.761 174.600 0.046 0.000 1.138 495 S CA -0.403 57.846 58.200 0.080 0.000 0.844 495 S CB 1.712 64.952 63.200 0.067 0.000 1.127 495 S HN 1.503 nan 8.310 nan 0.000 0.474 496 V N -0.994 118.930 119.914 0.016 0.000 2.876 496 V HA 0.737 4.857 4.120 0.001 0.000 0.312 496 V C -1.458 174.505 176.094 -0.219 0.000 1.085 496 V CA -0.947 61.316 62.300 -0.063 0.000 0.945 496 V CB 1.263 33.102 31.823 0.026 0.000 1.017 496 V HN 1.002 nan 8.190 nan 0.000 0.428 497 Y N 2.716 122.654 120.300 -0.604 0.000 2.328 497 Y HA 0.759 5.309 4.550 0.001 0.000 0.337 497 Y C -0.147 175.435 175.900 -0.529 0.000 1.008 497 Y CA -0.379 57.276 58.100 -0.740 0.000 1.129 497 Y CB 1.230 38.811 38.460 -1.466 0.000 1.185 497 Y HN 1.017 nan 8.280 nan 0.000 0.476 498 C N 3.491 122.401 119.300 -0.649 0.000 2.802 498 C HA 0.799 5.259 4.460 0.001 0.000 0.307 498 C C -0.806 173.957 174.990 -0.379 0.000 1.222 498 C CA -0.918 57.889 59.018 -0.351 0.000 1.580 498 C CB 1.258 28.872 27.740 -0.211 0.000 2.119 498 C HN 0.889 nan 8.230 nan 0.000 0.479 499 S N 1.261 116.871 115.700 -0.149 0.000 2.548 499 S HA 0.736 5.206 4.470 0.001 0.000 0.286 499 S C -3.245 171.327 174.600 -0.047 0.000 1.098 499 S CA -1.296 56.845 58.200 -0.098 0.000 0.930 499 S CB 1.516 64.712 63.200 -0.006 0.000 1.070 499 S HN 0.553 nan 8.310 nan 0.000 0.480 500 P HA 0.105 nan 4.420 nan 0.000 0.263 500 P C 0.669 177.965 177.300 -0.008 0.000 1.175 500 P CA 0.120 63.210 63.100 -0.017 0.000 0.761 500 P CB 0.355 32.044 31.700 -0.019 0.000 0.794 501 A N 3.842 126.659 122.820 -0.005 0.000 1.854 501 A HA -0.104 4.217 4.320 0.001 0.000 0.214 501 A C 1.109 178.688 177.584 -0.008 0.000 1.192 501 A CA 1.408 53.442 52.037 -0.004 0.000 0.611 501 A CB -0.627 18.369 19.000 -0.006 0.000 0.832 501 A HN 0.504 nan 8.150 nan 0.000 0.442 502 K N 0.746 121.137 120.400 -0.014 0.000 2.310 502 K HA 0.446 4.766 4.320 0.001 0.000 0.290 502 K C -0.859 175.734 176.600 -0.013 0.000 1.077 502 K CA 0.560 56.838 56.287 -0.015 0.000 0.922 502 K CB 0.283 32.769 32.500 -0.023 0.000 1.057 502 K HN 0.055 nan 8.250 nan 0.000 0.479 503 S N 3.257 118.952 115.700 -0.009 0.000 2.357 503 S HA 0.208 4.678 4.470 0.001 0.000 0.209 503 S C -0.183 174.415 174.600 -0.004 0.000 0.981 503 S CA -0.598 57.598 58.200 -0.007 0.000 1.106 503 S CB 0.147 63.344 63.200 -0.006 0.000 1.266 503 S HN 0.681 nan 8.310 nan 0.000 0.410 504 S N 2.949 118.646 115.700 -0.004 0.000 2.404 504 S HA 0.143 4.613 4.470 0.001 0.000 0.191 504 S C 1.320 175.920 174.600 -0.001 0.000 1.254 504 S CA 0.364 58.562 58.200 -0.003 0.000 1.821 504 S CB -0.129 63.069 63.200 -0.004 0.000 0.822 504 S HN 0.612 nan 8.310 nan 0.000 0.370 505 R N 1.717 122.217 120.500 -0.001 0.000 2.555 505 R HA 0.417 4.757 4.340 0.001 0.000 0.272 505 R C -0.614 175.687 176.300 0.001 0.000 1.089 505 R CA -0.184 55.917 56.100 0.001 0.000 1.126 505 R CB -0.737 29.564 30.300 0.000 0.000 1.250 505 R HN 0.348 nan 8.270 nan 0.000 0.551 506 A N -0.159 122.661 122.820 0.000 0.000 2.291 506 A HA 0.610 4.931 4.320 0.001 0.000 0.311 506 A C 0.721 178.307 177.584 0.003 0.000 1.224 506 A CA -0.392 51.645 52.037 -0.000 0.000 0.821 506 A CB 1.261 20.259 19.000 -0.004 0.000 1.172 506 A HN 0.222 nan 8.150 nan 0.000 0.494 507 A N 2.747 125.570 122.820 0.006 0.000 2.238 507 A HA 0.454 4.775 4.320 0.001 0.000 0.208 507 A C 0.670 178.261 177.584 0.011 0.000 1.177 507 A CA 0.496 52.540 52.037 0.012 0.000 0.804 507 A CB -0.163 18.846 19.000 0.015 0.000 0.823 507 A HN 0.659 nan 8.150 nan 0.000 0.482 508 V N -1.789 118.125 119.914 -0.001 0.000 3.093 508 V HA 0.672 4.792 4.120 0.001 0.000 0.320 508 V C 1.358 177.435 176.094 -0.028 0.000 1.093 508 V CA 0.433 62.727 62.300 -0.010 0.000 1.016 508 V CB 1.257 33.075 31.823 -0.010 0.000 1.096 508 V HN 0.968 nan 8.190 nan 0.000 0.452 509 G N 2.051 110.822 108.800 -0.047 0.000 2.132 509 G HA2 -0.223 3.738 3.960 0.001 0.000 0.228 509 G HA3 -0.223 3.738 3.960 0.001 0.000 0.228 509 G C -0.020 174.805 174.900 -0.124 0.000 1.000 509 G CA 0.164 45.222 45.100 -0.070 0.000 0.693 509 G HN 0.719 nan 8.290 nan 0.000 0.515 510 N N 0.541 119.143 118.700 -0.163 0.000 2.508 510 N HA 0.466 5.207 4.740 0.001 0.000 0.264 510 N C -0.128 175.110 175.510 -0.453 0.000 1.216 510 N CA 0.052 52.902 53.050 -0.334 0.000 0.943 510 N CB 0.502 38.770 38.487 -0.365 0.000 1.113 510 N HN 0.011 nan 8.380 nan 0.000 0.447 511 K N 1.964 121.961 120.400 -0.672 0.000 2.422 511 K HA 0.409 4.730 4.320 0.001 0.000 0.251 511 K C -0.844 175.142 176.600 -1.022 0.000 0.933 511 K CA -0.434 55.386 56.287 -0.779 0.000 0.798 511 K CB 2.210 34.167 32.500 -0.905 0.000 1.238 511 K HN 0.476 nan 8.250 nan 0.000 0.428 512 M N 2.183 121.338 119.600 -0.741 0.000 2.300 512 M HA 0.424 4.904 4.480 0.001 0.000 0.348 512 M C -0.917 175.068 176.300 -0.525 0.000 1.151 512 M CA -0.609 54.346 55.300 -0.576 0.000 1.046 512 M CB 0.686 33.156 32.600 -0.218 0.000 1.647 512 M HN 0.298 nan 8.290 nan 0.000 0.451 513 F N 2.329 122.224 119.950 -0.090 0.000 2.444 513 F HA 0.611 5.139 4.527 0.001 0.000 0.342 513 F C -0.311 175.474 175.800 -0.025 0.000 1.121 513 F CA -1.064 56.900 58.000 -0.060 0.000 0.997 513 F CB 1.129 40.088 39.000 -0.068 0.000 1.130 513 F HN 0.129 nan 8.300 nan 0.000 0.454 514 V N 3.580 123.598 119.914 0.174 0.000 2.604 514 V HA 0.577 4.698 4.120 0.001 0.000 0.305 514 V C -0.506 175.647 176.094 0.098 0.000 1.043 514 V CA -1.122 61.250 62.300 0.119 0.000 0.888 514 V CB 2.007 33.892 31.823 0.103 0.000 0.995 514 V HN 0.725 nan 8.190 nan 0.000 0.429 515 K N 2.777 123.242 120.400 0.108 0.000 2.464 515 K HA 0.869 5.190 4.320 0.001 0.000 0.253 515 K C -0.480 176.209 176.600 0.149 0.000 0.933 515 K CA -0.135 56.209 56.287 0.096 0.000 0.801 515 K CB 2.507 35.051 32.500 0.073 0.000 1.271 515 K HN 1.020 nan 8.250 nan 0.000 0.430 516 G N 0.913 109.801 108.800 0.146 0.000 2.342 516 G HA2 0.478 4.438 3.960 0.001 0.000 0.297 516 G HA3 0.478 4.438 3.960 0.001 0.000 0.297 516 G C -1.512 173.495 174.900 0.177 0.000 1.313 516 G CA -0.496 44.728 45.100 0.208 0.000 0.830 516 G HN 0.709 nan 8.290 nan 0.000 0.506 517 A N 0.455 123.399 122.820 0.207 0.000 2.546 517 A HA 0.522 4.843 4.320 0.001 0.000 0.243 517 A C -0.774 176.889 177.584 0.131 0.000 1.063 517 A CA 0.188 52.323 52.037 0.163 0.000 0.757 517 A CB 0.049 19.151 19.000 0.169 0.000 0.991 517 A HN 0.348 nan 8.150 nan 0.000 0.503 518 P HA -0.194 nan 4.420 nan 0.000 0.215 518 P C 1.409 178.771 177.300 0.103 0.000 1.153 518 P CA 1.615 64.789 63.100 0.123 0.000 0.853 518 P CB 0.212 31.982 31.700 0.116 0.000 0.788 519 E N -0.465 119.783 120.200 0.081 0.000 2.031 519 E HA -0.146 4.205 4.350 0.001 0.000 0.193 519 E C 2.200 178.833 176.600 0.055 0.000 0.994 519 E CA 1.598 58.032 56.400 0.057 0.000 0.800 519 E CB -0.990 28.738 29.700 0.046 0.000 0.752 519 E HN 0.135 nan 8.360 nan 0.000 0.447 520 G N 0.414 109.249 108.800 0.059 0.000 2.408 520 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 520 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 520 G C 1.665 176.604 174.900 0.065 0.000 1.150 520 G CA 0.856 45.986 45.100 0.051 0.000 0.776 520 G HN 0.239 nan 8.290 nan 0.000 0.542 521 V N 0.916 120.883 119.914 0.089 0.000 2.295 521 V HA -0.153 3.967 4.120 0.001 0.000 0.246 521 V C 2.730 178.899 176.094 0.126 0.000 1.049 521 V CA 1.586 63.952 62.300 0.111 0.000 1.024 521 V CB -0.351 31.550 31.823 0.130 0.000 0.648 521 V HN 0.363 nan 8.190 nan 0.000 0.447 522 I N -0.083 120.561 120.570 0.124 0.000 2.252 522 I HA -0.194 3.976 4.170 0.001 0.000 0.245 522 I C 2.204 178.354 176.117 0.054 0.000 1.102 522 I CA 1.380 62.745 61.300 0.109 0.000 1.385 522 I CB -0.384 37.650 38.000 0.057 0.000 1.064 522 I HN 0.276 nan 8.210 nan 0.000 0.414 523 D N 0.734 121.157 120.400 0.038 0.000 2.228 523 D HA -0.175 4.465 4.640 0.001 0.000 0.203 523 D C 1.985 178.299 176.300 0.023 0.000 0.988 523 D CA 1.154 55.165 54.000 0.019 0.000 0.864 523 D CB -0.149 40.660 40.800 0.016 0.000 0.928 523 D HN 0.301 nan 8.370 nan 0.000 0.469 524 R N -0.757 119.770 120.500 0.046 0.000 2.317 524 R HA 0.179 4.519 4.340 0.001 0.000 0.208 524 R C -0.008 176.329 176.300 0.062 0.000 0.914 524 R CA -0.196 55.934 56.100 0.049 0.000 1.060 524 R CB 0.320 30.657 30.300 0.061 0.000 1.015 524 R HN 0.064 nan 8.270 nan 0.000 0.498 525 C N 1.433 120.776 119.300 0.071 0.000 2.415 525 C HA 0.237 4.698 4.460 0.001 0.000 0.369 525 C C 1.168 176.153 174.990 -0.009 0.000 1.279 525 C CA -0.762 58.308 59.018 0.087 0.000 1.886 525 C CB 0.540 28.381 27.740 0.167 0.000 2.468 525 C HN 0.466 nan 8.230 nan 0.000 0.553 526 N N 0.696 119.340 118.700 -0.094 0.000 2.282 526 N HA 0.141 4.882 4.740 0.001 0.000 0.185 526 N C -0.676 174.491 175.510 -0.571 0.000 1.099 526 N CA 0.529 53.350 53.050 -0.381 0.000 0.878 526 N CB 0.326 38.474 38.487 -0.565 0.000 0.993 526 N HN 0.699 nan 8.380 nan 0.000 0.481 527 Y N -1.003 119.345 120.300 0.080 0.000 2.605 527 Y HA 0.583 5.134 4.550 0.001 0.000 0.343 527 Y C -0.229 175.754 175.900 0.137 0.000 1.036 527 Y CA -1.022 57.131 58.100 0.089 0.000 1.065 527 Y CB 1.719 40.225 38.460 0.078 0.000 1.288 527 Y HN -0.432 nan 8.280 nan 0.000 0.481 528 V N 2.058 122.162 119.914 0.318 0.000 2.577 528 V HA 0.470 4.591 4.120 0.001 0.000 0.303 528 V C -0.528 175.713 176.094 0.245 0.000 1.042 528 V CA -1.021 61.459 62.300 0.299 0.000 0.872 528 V CB 1.801 33.755 31.823 0.218 0.000 0.998 528 V HN 0.657 nan 8.190 nan 0.000 0.423 529 R N 3.218 123.853 120.500 0.226 0.000 2.441 529 R HA 0.630 4.970 4.340 0.001 0.000 0.284 529 R C -1.134 175.261 176.300 0.159 0.000 1.070 529 R CA -0.058 56.132 56.100 0.150 0.000 1.047 529 R CB 1.228 31.587 30.300 0.099 0.000 1.016 529 R HN 0.505 nan 8.270 nan 0.000 0.477 530 V N 5.657 125.648 119.914 0.129 0.000 2.439 530 V HA 0.416 4.537 4.120 0.001 0.000 0.277 530 V C 0.835 176.996 176.094 0.110 0.000 1.008 530 V CA 0.254 62.632 62.300 0.130 0.000 0.846 530 V CB 0.611 32.505 31.823 0.119 0.000 1.031 530 V HN 1.144 nan 8.190 nan 0.000 0.441 531 G N 5.097 113.971 108.800 0.122 0.000 2.557 531 G HA2 -0.359 3.602 3.960 0.001 0.000 0.292 531 G HA3 -0.359 3.602 3.960 0.001 0.000 0.292 531 G C 1.023 175.970 174.900 0.078 0.000 1.162 531 G CA 1.155 46.320 45.100 0.108 0.000 0.964 531 G HN 1.342 nan 8.290 nan 0.000 0.541 532 T N -0.793 113.797 114.554 0.061 0.000 3.069 532 T HA 0.468 4.818 4.350 0.001 0.000 0.252 532 T C 1.280 176.004 174.700 0.040 0.000 1.053 532 T CA 1.608 63.736 62.100 0.046 0.000 0.964 532 T CB -0.155 68.735 68.868 0.037 0.000 1.005 532 T HN 1.686 nan 8.240 nan 0.000 0.532 533 T N -0.243 114.341 114.554 0.049 0.000 2.852 533 T HA 0.601 4.951 4.350 0.001 0.000 0.281 533 T C -0.296 174.434 174.700 0.050 0.000 0.993 533 T CA -1.005 61.120 62.100 0.042 0.000 0.933 533 T CB 1.723 70.620 68.868 0.048 0.000 1.187 533 T HN 0.341 nan 8.240 nan 0.000 0.559 534 R N -0.113 120.412 120.500 0.043 0.000 2.626 534 R HA 0.608 4.949 4.340 0.001 0.000 0.274 534 R C -1.760 174.595 176.300 0.091 0.000 1.031 534 R CA -0.744 55.390 56.100 0.057 0.000 0.898 534 R CB 2.170 32.451 30.300 -0.032 0.000 1.222 534 R HN 0.846 nan 8.270 nan 0.000 0.455 535 V N 0.188 120.199 119.914 0.162 0.000 3.114 535 V HA 0.657 4.778 4.120 0.001 0.000 0.308 535 V C -2.831 173.416 176.094 0.255 0.000 1.168 535 V CA -2.556 59.848 62.300 0.173 0.000 1.015 535 V CB 1.888 33.784 31.823 0.122 0.000 1.050 535 V HN 0.618 nan 8.190 nan 0.000 0.433 536 P HA 0.223 nan 4.420 nan 0.000 0.265 536 P C -0.373 176.958 177.300 0.052 0.000 1.193 536 P CA 0.066 63.237 63.100 0.119 0.000 0.765 536 P CB 0.275 32.011 31.700 0.060 0.000 0.823 537 M N 4.219 123.808 119.600 -0.017 0.000 2.238 537 M HA 0.250 4.731 4.480 0.001 0.000 0.350 537 M C -0.062 176.211 176.300 -0.045 0.000 1.321 537 M CA 0.961 56.246 55.300 -0.025 0.000 1.097 537 M CB -0.282 32.288 32.600 -0.049 0.000 1.713 537 M HN 0.473 nan 8.290 nan 0.000 0.455 538 T N 1.399 115.930 114.554 -0.038 0.000 2.864 538 T HA 0.695 5.046 4.350 0.001 0.000 0.289 538 T C 0.891 175.557 174.700 -0.055 0.000 1.082 538 T CA -0.549 61.525 62.100 -0.043 0.000 1.009 538 T CB 1.033 69.883 68.868 -0.031 0.000 1.234 538 T HN 0.655 nan 8.240 nan 0.000 0.526 539 G N 0.829 109.596 108.800 -0.056 0.000 2.491 539 G HA2 -0.064 3.896 3.960 0.001 0.000 0.218 539 G HA3 -0.064 3.896 3.960 0.001 0.000 0.218 539 G C -0.922 173.935 174.900 -0.071 0.000 1.180 539 G CA 1.101 46.164 45.100 -0.062 0.000 0.774 539 G HN 0.661 nan 8.290 nan 0.000 0.562 540 P HA 0.063 nan 4.420 nan 0.000 0.222 540 P C 1.947 179.199 177.300 -0.081 0.000 1.153 540 P CA 0.349 63.401 63.100 -0.080 0.000 0.798 540 P CB 0.062 31.707 31.700 -0.090 0.000 0.796 541 V N 0.446 120.316 119.914 -0.074 0.000 2.358 541 V HA -0.204 3.917 4.120 0.001 0.000 0.246 541 V C 2.508 178.520 176.094 -0.135 0.000 1.047 541 V CA 1.701 63.950 62.300 -0.086 0.000 1.035 541 V CB -1.041 30.746 31.823 -0.060 0.000 0.658 541 V HN 0.123 nan 8.190 nan 0.000 0.452 542 K N -0.114 120.210 120.400 -0.126 0.000 2.057 542 K HA -0.188 4.133 4.320 0.001 0.000 0.206 542 K C 2.252 178.776 176.600 -0.126 0.000 1.050 542 K CA 1.351 57.554 56.287 -0.141 0.000 0.935 542 K CB -0.041 32.396 32.500 -0.105 0.000 0.715 542 K HN 0.348 nan 8.250 nan 0.000 0.439 543 E N 1.237 121.374 120.200 -0.105 0.000 2.038 543 E HA -0.211 4.139 4.350 0.001 0.000 0.195 543 E C 1.899 178.427 176.600 -0.120 0.000 1.000 543 E CA 1.025 57.367 56.400 -0.098 0.000 0.803 543 E CB -0.227 29.422 29.700 -0.085 0.000 0.750 543 E HN 0.132 nan 8.360 nan 0.000 0.448 544 K N 0.745 121.065 120.400 -0.133 0.000 2.020 544 K HA -0.122 4.199 4.320 0.001 0.000 0.212 544 K C 2.328 178.789 176.600 -0.230 0.000 1.050 544 K CA 1.047 57.231 56.287 -0.172 0.000 0.929 544 K CB -0.697 31.708 32.500 -0.158 0.000 0.714 544 K HN 0.180 nan 8.250 nan 0.000 0.443 545 I N 0.745 121.189 120.570 -0.210 0.000 2.142 545 I HA -0.315 3.856 4.170 0.001 0.000 0.240 545 I C 2.314 178.366 176.117 -0.109 0.000 1.078 545 I CA 1.120 62.323 61.300 -0.162 0.000 1.343 545 I CB -0.231 37.608 38.000 -0.268 0.000 1.046 545 I HN 0.076 nan 8.210 nan 0.000 0.405 546 L N -0.283 120.874 121.223 -0.110 0.000 2.141 546 L HA -0.182 4.158 4.340 0.001 0.000 0.209 546 L C 2.731 179.549 176.870 -0.086 0.000 1.094 546 L CA 1.230 56.027 54.840 -0.071 0.000 0.763 546 L CB -0.573 41.450 42.059 -0.061 0.000 0.908 546 L HN 0.274 nan 8.230 nan 0.000 0.437 547 S N -0.186 115.443 115.700 -0.119 0.000 2.368 547 S HA -0.154 4.317 4.470 0.001 0.000 0.225 547 S C 1.980 176.481 174.600 -0.165 0.000 1.030 547 S CA 1.490 59.617 58.200 -0.122 0.000 0.999 547 S CB -0.177 62.947 63.200 -0.127 0.000 0.844 547 S HN 0.175 nan 8.310 nan 0.000 0.459 548 V N 1.839 121.587 119.914 -0.277 0.000 2.307 548 V HA -0.108 4.013 4.120 0.001 0.000 0.245 548 V C 2.360 178.201 176.094 -0.422 0.000 1.045 548 V CA 1.913 63.937 62.300 -0.460 0.000 1.024 548 V CB -0.668 30.669 31.823 -0.809 0.000 0.651 548 V HN 0.509 nan 8.190 nan 0.000 0.449 549 I N -0.013 120.425 120.570 -0.221 0.000 2.208 549 I HA -0.315 3.855 4.170 0.001 0.000 0.245 549 I C 2.592 178.726 176.117 0.029 0.000 1.097 549 I CA 1.934 63.208 61.300 -0.043 0.000 1.363 549 I CB -0.427 37.597 38.000 0.039 0.000 1.051 549 I HN 0.290 nan 8.210 nan 0.000 0.413 550 K N 0.914 121.309 120.400 -0.008 0.000 2.032 550 K HA -0.270 4.051 4.320 0.001 0.000 0.209 550 K C 2.139 178.773 176.600 0.057 0.000 1.048 550 K CA 1.824 58.124 56.287 0.021 0.000 0.927 550 K CB -0.134 32.361 32.500 -0.008 0.000 0.712 550 K HN 0.308 nan 8.250 nan 0.000 0.441 551 E N -0.692 119.535 120.200 0.044 0.000 2.106 551 E HA -0.170 4.181 4.350 0.001 0.000 0.192 551 E C 1.661 178.423 176.600 0.270 0.000 0.984 551 E CA 0.948 57.417 56.400 0.115 0.000 0.806 551 E CB -0.008 29.744 29.700 0.087 0.000 0.750 551 E HN 0.424 nan 8.360 nan 0.000 0.458 552 W N -0.116 121.210 121.300 0.045 0.000 2.436 552 W HA 0.093 4.754 4.660 0.001 0.000 0.284 552 W C 2.187 178.733 176.519 0.044 0.000 1.225 552 W CA 1.135 58.513 57.345 0.053 0.000 1.271 552 W CB -0.782 28.732 29.460 0.091 0.000 1.114 552 W HN 0.138 nan 8.180 nan 0.000 0.559 553 G N -2.271 106.686 108.800 0.263 0.000 2.796 553 G HA2 0.003 3.963 3.960 0.001 0.000 0.210 553 G HA3 0.003 3.963 3.960 0.001 0.000 0.210 553 G C 1.285 176.251 174.900 0.109 0.000 1.146 553 G CA 1.096 46.296 45.100 0.166 0.000 0.779 553 G HN 0.172 nan 8.290 nan 0.000 0.535 554 T N -0.443 114.172 114.554 0.101 0.000 2.958 554 T HA 0.320 4.671 4.350 0.001 0.000 0.256 554 T C 1.444 176.181 174.700 0.061 0.000 0.983 554 T CA 0.342 62.481 62.100 0.066 0.000 0.924 554 T CB 0.661 69.558 68.868 0.048 0.000 1.136 554 T HN 0.307 nan 8.240 nan 0.000 0.506 555 G N 0.599 109.448 108.800 0.082 0.000 2.516 555 G HA2 0.268 4.228 3.960 0.001 0.000 0.276 555 G HA3 0.268 4.228 3.960 0.001 0.000 0.276 555 G C 0.606 175.537 174.900 0.052 0.000 1.390 555 G CA -0.510 44.631 45.100 0.068 0.000 1.050 555 G HN 0.237 nan 8.290 nan 0.000 0.519 556 R N -0.694 119.828 120.500 0.037 0.000 2.235 556 R HA -0.011 4.329 4.340 0.001 0.000 0.213 556 R C 1.554 177.857 176.300 0.005 0.000 1.059 556 R CA 0.839 56.950 56.100 0.018 0.000 0.997 556 R CB 0.066 30.372 30.300 0.010 0.000 0.884 556 R HN 0.413 nan 8.270 nan 0.000 0.462 557 D N 0.452 120.856 120.400 0.006 0.000 2.218 557 D HA -0.114 4.527 4.640 0.001 0.000 0.204 557 D C 0.605 176.895 176.300 -0.017 0.000 0.976 557 D CA 1.657 55.639 54.000 -0.031 0.000 0.853 557 D CB -0.357 40.401 40.800 -0.069 0.000 0.939 557 D HN 0.296 nan 8.370 nan 0.000 0.481 558 T N -1.163 113.401 114.554 0.018 0.000 3.473 558 T HA -0.258 4.092 4.350 0.001 0.000 0.403 558 T C 0.103 174.815 174.700 0.021 0.000 0.768 558 T CA 0.202 62.316 62.100 0.024 0.000 2.009 558 T CB -2.455 66.417 68.868 0.006 0.000 1.715 558 T HN 0.184 nan 8.240 nan 0.000 0.666 559 L N 0.138 121.388 121.223 0.045 0.000 2.322 559 L HA 0.562 4.903 4.340 0.001 0.000 0.279 559 L C 1.060 177.981 176.870 0.084 0.000 1.036 559 L CA -1.293 53.572 54.840 0.043 0.000 0.807 559 L CB 1.344 43.419 42.059 0.026 0.000 1.226 559 L HN 0.325 nan 8.230 nan 0.000 0.433 560 R N 1.500 122.039 120.500 0.064 0.000 2.316 560 R HA 0.292 4.633 4.340 0.001 0.000 0.314 560 R C -1.195 175.173 176.300 0.112 0.000 1.069 560 R CA -0.379 55.768 56.100 0.079 0.000 0.959 560 R CB 0.379 30.709 30.300 0.051 0.000 0.987 560 R HN 0.647 nan 8.270 nan 0.000 0.446 561 C N 5.541 124.927 119.300 0.143 0.000 2.341 561 C HA 0.499 4.960 4.460 0.001 0.000 0.338 561 C C -0.746 174.319 174.990 0.125 0.000 1.257 561 C CA -0.922 58.198 59.018 0.170 0.000 1.883 561 C CB 0.656 28.525 27.740 0.215 0.000 2.334 561 C HN 0.580 nan 8.230 nan 0.000 0.524 562 L N 2.926 124.212 121.223 0.104 0.000 2.362 562 L HA 0.666 5.007 4.340 0.001 0.000 0.275 562 L C 0.439 177.343 176.870 0.056 0.000 0.998 562 L CA -0.391 54.499 54.840 0.083 0.000 0.820 562 L CB 1.228 43.321 42.059 0.057 0.000 1.270 562 L HN 0.866 nan 8.230 nan 0.000 0.415 563 A N 5.164 128.030 122.820 0.077 0.000 2.327 563 A HA 0.769 5.090 4.320 0.001 0.000 0.283 563 A C -0.652 176.921 177.584 -0.019 0.000 1.127 563 A CA -0.345 51.727 52.037 0.058 0.000 0.810 563 A CB 0.275 19.391 19.000 0.193 0.000 1.066 563 A HN 0.651 nan 8.150 nan 0.000 0.492 564 L N 1.329 122.450 121.223 -0.170 0.000 2.346 564 L HA 0.834 5.174 4.340 0.001 0.000 0.274 564 L C 0.201 176.931 176.870 -0.233 0.000 1.007 564 L CA -0.469 54.273 54.840 -0.164 0.000 0.818 564 L CB 1.895 43.841 42.059 -0.188 0.000 1.284 564 L HN 0.844 nan 8.230 nan 0.000 0.424 565 A N 1.065 123.841 122.820 -0.073 0.000 2.606 565 A HA 0.821 5.141 4.320 0.001 0.000 0.293 565 A C -0.726 176.909 177.584 0.085 0.000 1.082 565 A CA -0.452 51.576 52.037 -0.015 0.000 0.685 565 A CB 2.194 21.230 19.000 0.061 0.000 1.284 565 A HN 0.658 nan 8.150 nan 0.000 0.408 566 T N -0.615 114.002 114.554 0.106 0.000 2.893 566 T HA 0.661 5.012 4.350 0.001 0.000 0.293 566 T C -0.624 174.111 174.700 0.058 0.000 1.027 566 T CA -0.705 61.472 62.100 0.128 0.000 0.988 566 T CB 1.515 70.515 68.868 0.221 0.000 1.043 566 T HN 0.672 nan 8.240 nan 0.000 0.461 567 R N 2.281 122.771 120.500 -0.017 0.000 2.216 567 R HA 0.183 4.524 4.340 0.001 0.000 0.332 567 R C 0.025 176.281 176.300 -0.074 0.000 1.056 567 R CA -0.372 55.723 56.100 -0.009 0.000 0.901 567 R CB 0.673 30.972 30.300 -0.001 0.000 1.039 567 R HN 0.753 nan 8.270 nan 0.000 0.456 568 D N 1.299 121.678 120.400 -0.034 0.000 2.149 568 D HA -0.055 4.585 4.640 0.001 0.000 0.201 568 D C -0.026 176.224 176.300 -0.084 0.000 0.972 568 D CA 1.556 55.512 54.000 -0.074 0.000 0.835 568 D CB 0.479 41.224 40.800 -0.092 0.000 0.966 568 D HN 0.409 nan 8.370 nan 0.000 0.476 569 T N 3.523 118.050 114.554 -0.044 0.000 3.253 569 T HA 0.288 4.639 4.350 0.001 0.000 0.391 569 T C -2.406 172.297 174.700 0.005 0.000 1.527 569 T CA -1.320 60.764 62.100 -0.025 0.000 1.268 569 T CB 2.062 70.929 68.868 -0.002 0.000 1.126 569 T HN 0.018 nan 8.240 nan 0.000 0.620 570 P HA 0.386 nan 4.420 nan 0.000 0.276 570 P C -2.636 174.729 177.300 0.108 0.000 1.252 570 P CA -1.657 61.469 63.100 0.043 0.000 0.802 570 P CB -0.079 31.604 31.700 -0.029 0.000 1.035 571 P HA 0.121 nan 4.420 nan 0.000 0.270 571 P C -0.150 177.210 177.300 0.100 0.000 1.223 571 P CA 0.005 63.159 63.100 0.089 0.000 0.785 571 P CB 0.338 32.060 31.700 0.037 0.000 0.923 572 K N 1.075 121.507 120.400 0.053 0.000 2.485 572 K HA -0.059 4.262 4.320 0.001 0.000 0.277 572 K C 1.563 178.141 176.600 -0.037 0.000 0.990 572 K CA 0.054 56.364 56.287 0.040 0.000 0.994 572 K CB 0.262 32.773 32.500 0.018 0.000 0.906 572 K HN 0.295 nan 8.250 nan 0.000 0.488 573 R N 2.864 123.329 120.500 -0.057 0.000 2.094 573 R HA -0.217 4.123 4.340 0.001 0.000 0.239 573 R C 1.114 177.296 176.300 -0.196 0.000 1.137 573 R CA 2.301 58.270 56.100 -0.217 0.000 0.943 573 R CB -0.184 30.031 30.300 -0.140 0.000 0.850 573 R HN 0.694 nan 8.270 nan 0.000 0.433 574 E N 0.716 120.849 120.200 -0.111 0.000 2.333 574 E HA -0.129 4.221 4.350 0.001 0.000 0.198 574 E C 0.859 177.401 176.600 -0.097 0.000 1.007 574 E CA 1.096 57.439 56.400 -0.096 0.000 0.845 574 E CB -0.117 29.552 29.700 -0.052 0.000 0.766 574 E HN 0.416 nan 8.360 nan 0.000 0.507 575 E N 0.026 120.168 120.200 -0.097 0.000 2.403 575 E HA 0.160 4.511 4.350 0.001 0.000 0.188 575 E C -0.084 176.446 176.600 -0.117 0.000 1.056 575 E CA 0.139 56.498 56.400 -0.067 0.000 0.892 575 E CB -0.127 29.560 29.700 -0.022 0.000 1.049 575 E HN 0.380 nan 8.360 nan 0.000 0.465 576 M N 0.778 120.241 119.600 -0.230 0.000 2.253 576 M HA 0.260 4.741 4.480 0.001 0.000 0.314 576 M C -0.581 175.588 176.300 -0.217 0.000 1.019 576 M CA -0.776 54.286 55.300 -0.396 0.000 0.932 576 M CB 2.697 34.859 32.600 -0.729 0.000 1.606 576 M HN -0.321 nan 8.290 nan 0.000 0.430 577 V N 5.265 125.201 119.914 0.035 0.000 2.339 577 V HA 0.156 4.277 4.120 0.001 0.000 0.261 577 V C 0.971 177.162 176.094 0.162 0.000 1.058 577 V CA -0.201 62.145 62.300 0.078 0.000 0.897 577 V CB 0.138 32.029 31.823 0.114 0.000 1.052 577 V HN 0.877 nan 8.190 nan 0.000 0.480 578 L N 1.985 123.209 121.223 0.001 0.000 2.610 578 L HA 0.072 4.412 4.340 0.001 0.000 0.232 578 L C 1.244 178.215 176.870 0.169 0.000 1.149 578 L CA 0.621 55.497 54.840 0.059 0.000 0.872 578 L CB -0.177 41.734 42.059 -0.247 0.000 0.992 578 L HN 0.650 nan 8.230 nan 0.000 0.447 579 D N -0.576 119.852 120.400 0.046 0.000 2.392 579 D HA 0.025 4.666 4.640 0.001 0.000 0.206 579 D C -0.109 176.050 176.300 -0.234 0.000 1.046 579 D CA 0.323 54.312 54.000 -0.018 0.000 0.865 579 D CB 0.432 41.243 40.800 0.019 0.000 0.969 579 D HN 0.351 nan 8.370 nan 0.000 0.509 580 D N 0.844 121.094 120.400 -0.249 0.000 2.479 580 D HA 0.035 4.675 4.640 0.001 0.000 0.247 580 D C 1.295 177.134 176.300 -0.768 0.000 1.119 580 D CA -0.146 53.630 54.000 -0.375 0.000 0.922 580 D CB 1.436 42.119 40.800 -0.195 0.000 1.014 580 D HN -0.176 nan 8.370 nan 0.000 0.510 581 S N 0.880 115.880 115.700 -1.166 0.000 2.461 581 S HA -0.280 4.191 4.470 0.001 0.000 0.246 581 S C 1.960 175.967 174.600 -0.989 0.000 1.007 581 S CA 1.429 58.589 58.200 -1.733 0.000 0.976 581 S CB -0.330 62.342 63.200 -0.881 0.000 0.763 581 S HN 0.399 nan 8.310 nan 0.000 0.508 582 S N 1.673 117.033 115.700 -0.567 0.000 2.447 582 S HA 0.018 4.489 4.470 0.001 0.000 0.233 582 S C 1.793 176.208 174.600 -0.308 0.000 1.006 582 S CA 0.453 58.456 58.200 -0.328 0.000 0.957 582 S CB -0.448 62.618 63.200 -0.222 0.000 0.773 582 S HN 0.688 nan 8.310 nan 0.000 0.507 583 R N -0.733 119.532 120.500 -0.391 0.000 2.300 583 R HA 0.291 4.632 4.340 0.001 0.000 0.199 583 R C 1.125 177.123 176.300 -0.504 0.000 0.920 583 R CA 0.136 55.968 56.100 -0.447 0.000 1.046 583 R CB -0.183 29.817 30.300 -0.499 0.000 0.984 583 R HN 0.348 nan 8.270 nan 0.000 0.493 584 F N 1.052 120.790 119.950 -0.353 0.000 2.171 584 F HA -0.121 4.406 4.527 0.001 0.000 0.300 584 F C 2.259 177.996 175.800 -0.105 0.000 1.090 584 F CA 0.786 58.696 58.000 -0.149 0.000 1.293 584 F CB -0.666 38.339 39.000 0.009 0.000 1.013 584 F HN 0.005 nan 8.300 nan 0.000 0.486 585 M N 0.134 119.775 119.600 0.069 0.000 2.108 585 M HA -0.261 4.220 4.480 0.001 0.000 0.261 585 M C 2.315 178.622 176.300 0.011 0.000 1.066 585 M CA 1.964 57.283 55.300 0.033 0.000 1.107 585 M CB -0.393 32.202 32.600 -0.009 0.000 1.356 585 M HN 0.238 nan 8.290 nan 0.000 0.406 586 E N -0.615 119.534 120.200 -0.086 0.000 2.153 586 E HA -0.228 4.122 4.350 0.001 0.000 0.194 586 E C 1.558 178.187 176.600 0.049 0.000 0.988 586 E CA 1.317 57.672 56.400 -0.075 0.000 0.811 586 E CB -0.148 29.447 29.700 -0.175 0.000 0.746 586 E HN 0.568 nan 8.360 nan 0.000 0.466 587 Y N 1.068 121.440 120.300 0.120 0.000 2.352 587 Y HA 0.003 4.554 4.550 0.001 0.000 0.292 587 Y C 0.891 176.850 175.900 0.097 0.000 1.136 587 Y CA 0.763 58.932 58.100 0.115 0.000 1.227 587 Y CB -0.052 38.487 38.460 0.133 0.000 0.991 587 Y HN 0.086 nan 8.280 nan 0.000 0.545 588 E N 0.796 121.128 120.200 0.220 0.000 2.364 588 E HA 0.154 4.505 4.350 0.001 0.000 0.270 588 E C 0.063 176.733 176.600 0.117 0.000 1.398 588 E CA -0.142 56.349 56.400 0.152 0.000 1.721 588 E CB -0.107 29.671 29.700 0.131 0.000 1.525 588 E HN 0.235 nan 8.360 nan 0.000 0.446 589 T N -2.936 111.691 114.554 0.121 0.000 2.940 589 T HA 0.307 4.658 4.350 0.001 0.000 0.288 589 T C 0.184 174.949 174.700 0.107 0.000 1.045 589 T CA -0.879 61.279 62.100 0.096 0.000 1.018 589 T CB 1.437 70.351 68.868 0.077 0.000 1.151 589 T HN 0.040 nan 8.240 nan 0.000 0.529 590 D N -0.234 120.221 120.400 0.092 0.000 2.699 590 D HA -0.130 4.510 4.640 0.001 0.000 0.239 590 D C -0.565 175.846 176.300 0.185 0.000 1.136 590 D CA 0.430 54.502 54.000 0.121 0.000 0.668 590 D CB -1.545 39.340 40.800 0.142 0.000 1.060 590 D HN 0.625 nan 8.370 nan 0.000 0.429 591 L N -0.368 120.950 121.223 0.158 0.000 2.399 591 L HA 0.490 4.831 4.340 0.001 0.000 0.265 591 L C 1.025 178.045 176.870 0.251 0.000 1.089 591 L CA -0.559 54.387 54.840 0.177 0.000 0.802 591 L CB 1.389 43.533 42.059 0.141 0.000 1.180 591 L HN -0.044 nan 8.230 nan 0.000 0.454 592 T N 1.393 116.086 114.554 0.233 0.000 2.756 592 T HA 0.265 4.616 4.350 0.001 0.000 0.290 592 T C -0.416 174.410 174.700 0.210 0.000 0.985 592 T CA -0.295 61.961 62.100 0.260 0.000 0.955 592 T CB 0.482 69.466 68.868 0.193 0.000 0.930 592 T HN 0.243 nan 8.240 nan 0.000 0.451 593 F N 4.573 124.592 119.950 0.114 0.000 2.541 593 F HA 0.223 4.750 4.527 0.001 0.000 0.378 593 F C 0.831 176.674 175.800 0.071 0.000 1.068 593 F CA 0.099 58.147 58.000 0.080 0.000 1.199 593 F CB 0.423 39.467 39.000 0.073 0.000 1.091 593 F HN 0.351 nan 8.300 nan 0.000 0.555 594 V N 5.029 124.518 119.914 -0.710 0.000 2.627 594 V HA 0.460 4.581 4.120 0.001 0.000 0.239 594 V C 1.139 176.757 176.094 -0.793 0.000 1.077 594 V CA 0.834 62.831 62.300 -0.504 0.000 1.103 594 V CB -0.197 31.465 31.823 -0.269 0.000 0.802 594 V HN 1.002 nan 8.190 nan 0.000 0.482 595 G N -0.966 107.122 108.800 -1.186 0.000 2.488 595 G HA2 0.528 4.489 3.960 0.001 0.000 0.301 595 G HA3 0.528 4.489 3.960 0.001 0.000 0.301 595 G C -2.219 172.278 174.900 -0.672 0.000 1.339 595 G CA -0.229 44.379 45.100 -0.821 0.000 0.803 595 G HN -0.015 nan 8.290 nan 0.000 0.482 596 V N 0.144 119.671 119.914 -0.644 0.000 2.709 596 V HA 0.711 4.831 4.120 0.001 0.000 0.308 596 V C 0.016 176.016 176.094 -0.156 0.000 1.062 596 V CA -0.684 61.369 62.300 -0.412 0.000 0.901 596 V CB 1.569 33.035 31.823 -0.596 0.000 1.003 596 V HN 1.292 nan 8.190 nan 0.000 0.425 597 V N 1.162 121.082 119.914 0.010 0.000 2.581 597 V HA 1.048 5.169 4.120 0.001 0.000 0.303 597 V C 0.253 176.462 176.094 0.192 0.000 1.041 597 V CA -0.446 61.919 62.300 0.108 0.000 0.907 597 V CB 1.633 33.466 31.823 0.017 0.000 0.994 597 V HN 0.994 nan 8.190 nan 0.000 0.442 598 G N 5.003 113.907 108.800 0.173 0.000 2.530 598 G HA2 0.719 4.679 3.960 0.001 0.000 0.316 598 G HA3 0.719 4.679 3.960 0.001 0.000 0.316 598 G C -0.749 174.138 174.900 -0.022 0.000 1.298 598 G CA -0.893 44.275 45.100 0.113 0.000 0.948 598 G HN 1.193 nan 8.290 nan 0.000 0.486 599 M N 1.509 121.109 119.600 -0.000 0.000 2.572 599 M HA 0.837 5.317 4.480 0.001 0.000 0.299 599 M C -1.846 174.435 176.300 -0.031 0.000 1.205 599 M CA -1.231 54.053 55.300 -0.028 0.000 0.876 599 M CB 2.625 35.221 32.600 -0.007 0.000 1.728 599 M HN 0.374 nan 8.290 nan 0.000 0.458 600 L N 1.813 123.005 121.223 -0.052 0.000 2.362 600 L HA 0.623 4.964 4.340 0.001 0.000 0.275 600 L C -1.595 175.242 176.870 -0.054 0.000 0.998 600 L CA 0.141 54.950 54.840 -0.052 0.000 0.820 600 L CB 1.859 43.875 42.059 -0.071 0.000 1.270 600 L HN 0.831 nan 8.230 nan 0.000 0.415 601 D N 6.650 127.026 120.400 -0.040 0.000 2.472 601 D HA 0.423 5.063 4.640 0.001 0.000 0.234 601 D C -2.599 173.673 176.300 -0.046 0.000 1.088 601 D CA -1.976 51.998 54.000 -0.043 0.000 0.882 601 D CB 1.194 41.982 40.800 -0.020 0.000 1.037 601 D HN 0.309 nan 8.370 nan 0.000 0.520 602 P HA 0.263 nan 4.420 nan 0.000 0.275 602 P C -2.627 174.647 177.300 -0.044 0.000 1.227 602 P CA -1.506 61.563 63.100 -0.052 0.000 0.781 602 P CB 0.210 31.875 31.700 -0.058 0.000 0.906 603 P HA 0.078 nan 4.420 nan 0.000 0.264 603 P C 0.253 177.536 177.300 -0.028 0.000 1.183 603 P CA 0.344 63.418 63.100 -0.043 0.000 0.763 603 P CB 0.263 31.933 31.700 -0.049 0.000 0.807 604 R N 2.616 123.106 120.500 -0.016 0.000 2.697 604 R HA -0.084 4.256 4.340 0.001 0.000 0.265 604 R C 1.901 178.204 176.300 0.005 0.000 1.009 604 R CA 0.544 56.646 56.100 0.003 0.000 1.099 604 R CB 0.123 30.440 30.300 0.029 0.000 0.965 604 R HN 0.497 nan 8.270 nan 0.000 0.428 605 K N 1.606 122.010 120.400 0.008 0.000 2.209 605 K HA -0.179 4.141 4.320 0.001 0.000 0.204 605 K C 0.235 176.845 176.600 0.017 0.000 1.048 605 K CA 1.801 58.092 56.287 0.006 0.000 0.940 605 K CB 0.155 32.658 32.500 0.004 0.000 0.729 605 K HN 0.500 nan 8.250 nan 0.000 0.451 606 E N 0.793 121.013 120.200 0.032 0.000 2.474 606 E HA 0.025 4.376 4.350 0.001 0.000 0.194 606 E C 1.671 178.314 176.600 0.072 0.000 1.041 606 E CA 0.106 56.533 56.400 0.046 0.000 0.874 606 E CB 0.356 30.085 29.700 0.049 0.000 0.914 606 E HN 0.044 nan 8.360 nan 0.000 0.498 607 V N 1.097 121.049 119.914 0.064 0.000 2.307 607 V HA -0.265 3.855 4.120 0.001 0.000 0.245 607 V C 2.074 178.193 176.094 0.043 0.000 1.045 607 V CA 1.544 63.891 62.300 0.079 0.000 1.024 607 V CB -0.393 31.425 31.823 -0.009 0.000 0.651 607 V HN 0.376 nan 8.190 nan 0.000 0.449 608 M N 0.243 119.848 119.600 0.008 0.000 2.082 608 M HA -0.168 4.312 4.480 0.001 0.000 0.258 608 M C 2.330 178.645 176.300 0.026 0.000 1.069 608 M CA 2.403 57.702 55.300 -0.001 0.000 1.102 608 M CB -1.653 30.944 32.600 -0.005 0.000 1.336 608 M HN 0.463 nan 8.290 nan 0.000 0.404 609 G N -0.076 108.747 108.800 0.038 0.000 2.422 609 G HA2 -0.146 3.814 3.960 0.001 0.000 0.218 609 G HA3 -0.146 3.814 3.960 0.001 0.000 0.218 609 G C 1.661 176.600 174.900 0.065 0.000 1.146 609 G CA 1.112 46.237 45.100 0.042 0.000 0.769 609 G HN 0.505 nan 8.290 nan 0.000 0.547 610 S N 0.618 116.384 115.700 0.110 0.000 2.387 610 S HA 0.020 4.491 4.470 0.001 0.000 0.226 610 S C 2.269 176.995 174.600 0.211 0.000 1.026 610 S CA 0.406 58.702 58.200 0.159 0.000 0.972 610 S CB -0.068 63.271 63.200 0.232 0.000 0.814 610 S HN 0.227 nan 8.310 nan 0.000 0.477 611 I N 2.057 122.742 120.570 0.192 0.000 2.163 611 I HA -0.167 4.004 4.170 0.001 0.000 0.243 611 I C 2.676 178.837 176.117 0.073 0.000 1.085 611 I CA 1.401 62.770 61.300 0.114 0.000 1.347 611 I CB -1.311 36.681 38.000 -0.012 0.000 1.044 611 I HN 0.303 nan 8.210 nan 0.000 0.408 612 Q N 0.570 120.400 119.800 0.050 0.000 2.061 612 Q HA -0.146 4.195 4.340 0.001 0.000 0.204 612 Q C 2.481 178.504 176.000 0.038 0.000 0.984 612 Q CA 1.340 57.164 55.803 0.035 0.000 0.846 612 Q CB -0.486 28.268 28.738 0.025 0.000 0.902 612 Q HN 0.509 nan 8.270 nan 0.000 0.421 613 L N -0.315 120.934 121.223 0.045 0.000 2.081 613 L HA -0.292 4.049 4.340 0.001 0.000 0.212 613 L C 2.602 179.492 176.870 0.033 0.000 1.080 613 L CA 1.061 55.920 54.840 0.032 0.000 0.754 613 L CB -0.346 41.729 42.059 0.026 0.000 0.893 613 L HN 0.291 nan 8.230 nan 0.000 0.433 614 C N -0.630 118.704 119.300 0.055 0.000 2.453 614 C HA -0.123 4.338 4.460 0.001 0.000 0.277 614 C C 2.802 177.816 174.990 0.039 0.000 1.262 614 C CA 0.468 59.519 59.018 0.055 0.000 1.718 614 C CB -0.953 26.850 27.740 0.105 0.000 2.031 614 C HN 0.466 nan 8.230 nan 0.000 0.480 615 R N 1.083 121.606 120.500 0.037 0.000 2.105 615 R HA -0.143 4.198 4.340 0.001 0.000 0.239 615 R C 1.599 177.912 176.300 0.021 0.000 1.135 615 R CA 1.708 57.824 56.100 0.027 0.000 0.967 615 R CB -0.462 29.852 30.300 0.023 0.000 0.861 615 R HN 0.546 nan 8.270 nan 0.000 0.442 616 D N 0.442 120.854 120.400 0.020 0.000 2.178 616 D HA -0.077 4.563 4.640 0.001 0.000 0.202 616 D C 1.298 177.605 176.300 0.012 0.000 0.974 616 D CA 1.338 55.346 54.000 0.014 0.000 0.841 616 D CB 0.008 40.816 40.800 0.013 0.000 0.953 616 D HN 0.292 nan 8.370 nan 0.000 0.478 617 A N -0.432 122.396 122.820 0.013 0.000 2.345 617 A HA 0.469 4.789 4.320 0.001 0.000 0.225 617 A C 1.563 179.152 177.584 0.009 0.000 1.243 617 A CA 0.671 52.713 52.037 0.008 0.000 0.875 617 A CB -0.141 18.861 19.000 0.003 0.000 0.929 617 A HN 0.169 nan 8.150 nan 0.000 0.502 618 G N -0.194 108.613 108.800 0.013 0.000 2.198 618 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 618 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 618 G C -0.024 174.885 174.900 0.016 0.000 1.025 618 G CA 0.568 45.676 45.100 0.013 0.000 0.769 618 G HN 0.542 nan 8.290 nan 0.000 0.507 619 I N 0.163 120.746 120.570 0.021 0.000 2.330 619 I HA 0.357 4.527 4.170 0.001 0.000 0.289 619 I C 0.842 176.983 176.117 0.040 0.000 1.001 619 I CA -0.944 60.372 61.300 0.027 0.000 1.193 619 I CB 1.329 39.343 38.000 0.024 0.000 1.345 619 I HN 0.177 nan 8.210 nan 0.000 0.461 620 R N 5.372 125.896 120.500 0.040 0.000 2.490 620 R HA 0.499 4.840 4.340 0.001 0.000 0.280 620 R C -1.242 175.094 176.300 0.061 0.000 1.077 620 R CA -0.264 55.862 56.100 0.043 0.000 1.065 620 R CB 0.960 31.284 30.300 0.040 0.000 1.003 620 R HN 0.463 nan 8.270 nan 0.000 0.470 621 V N 6.627 126.568 119.914 0.046 0.000 2.448 621 V HA 0.384 4.504 4.120 0.001 0.000 0.295 621 V C -0.108 175.985 176.094 -0.002 0.000 1.025 621 V CA -0.654 61.678 62.300 0.053 0.000 0.859 621 V CB 1.618 33.465 31.823 0.040 0.000 0.988 621 V HN 0.677 nan 8.190 nan 0.000 0.431 622 I N 5.114 125.707 120.570 0.039 0.000 2.378 622 I HA 0.458 4.628 4.170 0.001 0.000 0.291 622 I C -0.019 176.113 176.117 0.025 0.000 0.992 622 I CA -0.300 61.030 61.300 0.051 0.000 1.154 622 I CB 1.688 39.781 38.000 0.155 0.000 1.315 622 I HN 0.558 nan 8.210 nan 0.000 0.448 623 M N 7.225 126.806 119.600 -0.031 0.000 2.216 623 M HA 0.524 5.004 4.480 0.001 0.000 0.356 623 M C -1.194 175.140 176.300 0.057 0.000 1.205 623 M CA -0.141 55.135 55.300 -0.039 0.000 1.122 623 M CB 0.910 33.437 32.600 -0.121 0.000 1.571 623 M HN 0.487 nan 8.290 nan 0.000 0.464 624 I N 3.749 124.348 120.570 0.049 0.000 2.418 624 I HA 0.394 4.565 4.170 0.001 0.000 0.287 624 I C -0.407 175.735 176.117 0.041 0.000 1.008 624 I CA -0.394 60.950 61.300 0.073 0.000 1.104 624 I CB 2.100 40.125 38.000 0.042 0.000 1.264 624 I HN 0.637 nan 8.210 nan 0.000 0.438 625 T N 2.765 117.350 114.554 0.052 0.000 2.868 625 T HA 0.496 4.846 4.350 0.001 0.000 0.306 625 T C 0.590 175.318 174.700 0.047 0.000 1.224 625 T CA -0.261 61.860 62.100 0.035 0.000 1.012 625 T CB 1.801 70.680 68.868 0.019 0.000 1.221 625 T HN 0.711 nan 8.240 nan 0.000 0.499 626 G N 1.156 109.980 108.800 0.040 0.000 3.088 626 G HA2 0.175 4.136 3.960 0.001 0.000 0.217 626 G HA3 0.175 4.136 3.960 0.001 0.000 0.217 626 G C 0.224 175.156 174.900 0.054 0.000 1.159 626 G CA -0.175 44.955 45.100 0.050 0.000 0.760 626 G HN 0.723 nan 8.290 nan 0.000 0.550 627 D N 1.415 121.842 120.400 0.044 0.000 2.443 627 D HA -0.041 4.600 4.640 0.001 0.000 0.234 627 D C 0.885 177.220 176.300 0.059 0.000 1.172 627 D CA 0.210 54.239 54.000 0.048 0.000 0.878 627 D CB 0.742 41.564 40.800 0.037 0.000 1.204 627 D HN 0.535 nan 8.370 nan 0.000 0.453 628 N N 0.494 119.234 118.700 0.066 0.000 2.267 628 N HA -0.100 4.640 4.740 0.001 0.000 0.226 628 N C 0.792 176.333 175.510 0.051 0.000 1.314 628 N CA -0.512 52.577 53.050 0.065 0.000 0.887 628 N CB 1.189 39.718 38.487 0.069 0.000 1.120 628 N HN 0.332 nan 8.380 nan 0.000 0.440 629 K N 0.621 121.047 120.400 0.043 0.000 2.057 629 K HA -0.110 4.211 4.320 0.001 0.000 0.206 629 K C 2.006 178.620 176.600 0.024 0.000 1.050 629 K CA 1.492 57.795 56.287 0.027 0.000 0.935 629 K CB -0.715 31.790 32.500 0.009 0.000 0.715 629 K HN 0.780 nan 8.250 nan 0.000 0.439 630 G N 0.037 108.852 108.800 0.025 0.000 2.421 630 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 630 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 630 G C 1.400 176.324 174.900 0.039 0.000 1.171 630 G CA 1.402 46.517 45.100 0.026 0.000 0.775 630 G HN 0.333 nan 8.290 nan 0.000 0.543 631 T N 1.544 116.126 114.554 0.047 0.000 2.857 631 T HA 0.153 4.503 4.350 0.001 0.000 0.266 631 T C 2.819 177.543 174.700 0.039 0.000 1.048 631 T CA 1.184 63.313 62.100 0.049 0.000 1.139 631 T CB -0.313 68.588 68.868 0.055 0.000 0.874 631 T HN 0.369 nan 8.240 nan 0.000 0.455 632 A N 1.503 124.346 122.820 0.039 0.000 1.892 632 A HA -0.114 4.206 4.320 0.001 0.000 0.218 632 A C 2.262 179.875 177.584 0.049 0.000 1.188 632 A CA 1.532 53.589 52.037 0.033 0.000 0.631 632 A CB -0.867 18.155 19.000 0.037 0.000 0.822 632 A HN 0.518 nan 8.150 nan 0.000 0.447 633 I N -0.582 120.037 120.570 0.081 0.000 2.286 633 I HA -0.219 3.951 4.170 0.001 0.000 0.245 633 I C 2.977 179.174 176.117 0.134 0.000 1.104 633 I CA 0.882 62.280 61.300 0.162 0.000 1.397 633 I CB -0.333 37.730 38.000 0.105 0.000 1.072 633 I HN 0.360 nan 8.210 nan 0.000 0.417 634 A N 1.151 124.016 122.820 0.074 0.000 1.892 634 A HA -0.223 4.098 4.320 0.001 0.000 0.218 634 A C 2.273 179.879 177.584 0.036 0.000 1.188 634 A CA 1.795 53.865 52.037 0.055 0.000 0.631 634 A CB -0.958 18.069 19.000 0.045 0.000 0.822 634 A HN 0.414 nan 8.150 nan 0.000 0.447 635 I N -0.869 119.711 120.570 0.016 0.000 2.394 635 I HA -0.288 3.883 4.170 0.001 0.000 0.251 635 I C 2.459 178.543 176.117 -0.054 0.000 1.136 635 I CA 0.864 62.152 61.300 -0.020 0.000 1.425 635 I CB -0.433 37.549 38.000 -0.030 0.000 1.079 635 I HN 0.386 nan 8.210 nan 0.000 0.425 636 C N 0.663 119.924 119.300 -0.065 0.000 2.429 636 C HA -0.124 4.337 4.460 0.001 0.000 0.277 636 C C 2.929 177.861 174.990 -0.096 0.000 1.262 636 C CA 0.778 59.687 59.018 -0.183 0.000 1.733 636 C CB -1.133 26.368 27.740 -0.397 0.000 2.010 636 C HN 0.427 nan 8.230 nan 0.000 0.483 637 R N 0.441 120.971 120.500 0.050 0.000 2.083 637 R HA -0.171 4.169 4.340 0.001 0.000 0.237 637 R C 2.433 178.741 176.300 0.013 0.000 1.137 637 R CA 1.643 57.787 56.100 0.074 0.000 0.951 637 R CB -0.453 29.903 30.300 0.093 0.000 0.851 637 R HN 0.549 nan 8.270 nan 0.000 0.434 638 R N 1.656 122.153 120.500 -0.005 0.000 2.091 638 R HA -0.120 4.221 4.340 0.001 0.000 0.238 638 R C 2.080 178.357 176.300 -0.038 0.000 1.136 638 R CA 1.799 57.888 56.100 -0.019 0.000 0.959 638 R CB -0.248 30.038 30.300 -0.022 0.000 0.856 638 R HN 0.413 nan 8.270 nan 0.000 0.437 639 I N -3.227 117.303 120.570 -0.066 0.000 3.812 639 I HA 0.388 4.559 4.170 0.001 0.000 0.320 639 I C 0.697 176.764 176.117 -0.083 0.000 1.276 639 I CA 0.559 61.808 61.300 -0.085 0.000 1.164 639 I CB 0.605 38.527 38.000 -0.130 0.000 1.009 639 I HN 0.337 nan 8.210 nan 0.000 0.431 640 G N 1.913 110.675 108.800 -0.064 0.000 2.141 640 G HA2 -0.269 3.692 3.960 0.001 0.000 0.242 640 G HA3 -0.269 3.692 3.960 0.001 0.000 0.242 640 G C 0.651 175.506 174.900 -0.074 0.000 0.982 640 G CA 0.461 45.534 45.100 -0.045 0.000 0.662 640 G HN 0.505 nan 8.290 nan 0.000 0.527 641 I N -0.740 119.730 120.570 -0.168 0.000 2.202 641 I HA 0.089 4.259 4.170 0.001 0.000 0.242 641 I C 1.122 177.089 176.117 -0.250 0.000 1.091 641 I CA 1.078 62.207 61.300 -0.286 0.000 1.368 641 I CB -0.182 37.520 38.000 -0.497 0.000 1.058 641 I HN 0.119 nan 8.210 nan 0.000 0.410 642 F N 0.409 120.337 119.950 -0.036 0.000 2.470 642 F HA 0.518 5.045 4.527 0.001 0.000 0.329 642 F C 0.992 176.775 175.800 -0.028 0.000 1.072 642 F CA -1.603 56.377 58.000 -0.033 0.000 0.989 642 F CB 0.414 39.389 39.000 -0.041 0.000 1.193 642 F HN -0.211 nan 8.300 nan 0.000 0.481 643 G N 0.355 109.268 108.800 0.188 0.000 2.544 643 G HA2 0.099 4.059 3.960 0.001 0.000 0.242 643 G HA3 0.099 4.059 3.960 0.001 0.000 0.242 643 G C 0.728 175.671 174.900 0.073 0.000 1.247 643 G CA -0.304 44.850 45.100 0.089 0.000 0.840 643 G HN 0.850 nan 8.290 nan 0.000 0.578 644 E N 0.414 120.640 120.200 0.043 0.000 2.219 644 E HA -0.157 4.194 4.350 0.001 0.000 0.198 644 E C 1.209 177.817 176.600 0.014 0.000 0.998 644 E CA 1.422 57.840 56.400 0.030 0.000 0.818 644 E CB 0.162 29.872 29.700 0.017 0.000 0.741 644 E HN 0.523 nan 8.360 nan 0.000 0.477 645 N N 0.233 118.935 118.700 0.003 0.000 2.143 645 N HA 0.003 4.744 4.740 0.001 0.000 0.222 645 N C -0.743 174.744 175.510 -0.039 0.000 1.264 645 N CA 0.091 53.130 53.050 -0.018 0.000 0.897 645 N CB 0.545 39.024 38.487 -0.014 0.000 1.092 645 N HN 0.290 nan 8.380 nan 0.000 0.516 646 E N 0.979 121.154 120.200 -0.041 0.000 2.398 646 E HA 0.096 4.446 4.350 0.001 0.000 0.263 646 E C -0.297 176.212 176.600 -0.151 0.000 1.046 646 E CA -0.126 56.228 56.400 -0.076 0.000 0.908 646 E CB 0.882 30.550 29.700 -0.053 0.000 0.963 646 E HN -0.145 nan 8.360 nan 0.000 0.431 647 E N 1.552 121.662 120.200 -0.150 0.000 2.344 647 E HA 0.062 4.413 4.350 0.001 0.000 0.270 647 E C 0.132 176.556 176.600 -0.294 0.000 1.021 647 E CA -0.015 56.273 56.400 -0.186 0.000 0.887 647 E CB 1.646 31.268 29.700 -0.129 0.000 0.997 647 E HN 0.544 nan 8.360 nan 0.000 0.429 648 V N 0.310 119.999 119.914 -0.375 0.000 3.276 648 V HA 0.329 4.449 4.120 0.001 0.000 0.319 648 V C 1.365 177.216 176.094 -0.405 0.000 1.476 648 V CA 0.383 62.345 62.300 -0.564 0.000 1.097 648 V CB 0.301 31.470 31.823 -1.090 0.000 0.988 648 V HN 0.522 nan 8.190 nan 0.000 0.473 649 A N 2.406 125.056 122.820 -0.284 0.000 1.927 649 A HA -0.240 4.080 4.320 0.001 0.000 0.220 649 A C 1.650 179.042 177.584 -0.319 0.000 1.185 649 A CA 2.483 54.369 52.037 -0.252 0.000 0.639 649 A CB -0.541 18.358 19.000 -0.168 0.000 0.820 649 A HN 0.880 nan 8.150 nan 0.000 0.451 650 D N -2.216 118.036 120.400 -0.246 0.000 2.643 650 D HA 0.161 4.802 4.640 0.001 0.000 0.244 650 D C 0.804 177.055 176.300 -0.082 0.000 1.257 650 D CA -0.239 53.651 54.000 -0.182 0.000 0.831 650 D CB -0.185 40.620 40.800 0.009 0.000 1.043 650 D HN 0.511 nan 8.370 nan 0.000 0.488 651 R N -0.492 119.875 120.500 -0.221 0.000 2.531 651 R HA 0.487 4.828 4.340 0.001 0.000 0.316 651 R C -0.005 176.281 176.300 -0.023 0.000 0.955 651 R CA -0.189 55.887 56.100 -0.041 0.000 1.120 651 R CB 1.562 31.809 30.300 -0.089 0.000 1.361 651 R HN 0.137 nan 8.270 nan 0.000 0.534 652 A N 0.765 123.393 122.820 -0.320 0.000 2.393 652 A HA 0.736 5.057 4.320 0.001 0.000 0.306 652 A C -1.636 175.590 177.584 -0.597 0.000 1.050 652 A CA -0.473 51.402 52.037 -0.270 0.000 0.724 652 A CB 1.081 20.024 19.000 -0.095 0.000 1.248 652 A HN 0.161 nan 8.150 nan 0.000 0.424 653 Y N 0.323 120.464 120.300 -0.265 0.000 2.470 653 Y HA 0.496 5.047 4.550 0.001 0.000 0.341 653 Y C 0.877 176.758 175.900 -0.031 0.000 1.021 653 Y CA -0.329 57.693 58.100 -0.130 0.000 1.025 653 Y CB 2.405 40.805 38.460 -0.100 0.000 1.266 653 Y HN 0.831 nan 8.280 nan 0.000 0.448 654 T N -1.834 112.824 114.554 0.174 0.000 2.849 654 T HA 0.313 4.664 4.350 0.001 0.000 0.284 654 T C 1.385 176.192 174.700 0.179 0.000 1.004 654 T CA -0.067 62.123 62.100 0.149 0.000 1.021 654 T CB 1.402 70.339 68.868 0.114 0.000 1.013 654 T HN 0.859 nan 8.240 nan 0.000 0.527 655 G N 0.942 109.786 108.800 0.072 0.000 2.469 655 G HA2 -0.262 3.698 3.960 0.001 0.000 0.219 655 G HA3 -0.262 3.698 3.960 0.001 0.000 0.219 655 G C 1.691 176.693 174.900 0.170 0.000 1.150 655 G CA 0.454 45.514 45.100 -0.066 0.000 0.763 655 G HN 0.658 nan 8.290 nan 0.000 0.561 656 R N 0.999 121.606 120.500 0.177 0.000 2.103 656 R HA -0.089 4.251 4.340 0.001 0.000 0.234 656 R C 2.518 178.936 176.300 0.195 0.000 1.132 656 R CA 2.098 58.303 56.100 0.176 0.000 0.925 656 R CB -1.130 29.247 30.300 0.128 0.000 0.842 656 R HN 0.562 nan 8.270 nan 0.000 0.430 657 E N -0.917 119.406 120.200 0.206 0.000 2.085 657 E HA -0.212 4.139 4.350 0.001 0.000 0.194 657 E C 1.891 178.657 176.600 0.275 0.000 0.994 657 E CA 1.461 57.999 56.400 0.230 0.000 0.801 657 E CB -0.344 29.513 29.700 0.262 0.000 0.743 657 E HN 0.300 nan 8.360 nan 0.000 0.453 658 F N 2.031 122.076 119.950 0.160 0.000 2.171 658 F HA -0.183 4.344 4.527 0.001 0.000 0.300 658 F C 1.653 177.512 175.800 0.099 0.000 1.090 658 F CA 1.427 59.473 58.000 0.076 0.000 1.293 658 F CB 0.104 39.145 39.000 0.068 0.000 1.013 658 F HN -0.108 nan 8.300 nan 0.000 0.486 659 D N 0.153 120.732 120.400 0.299 0.000 2.178 659 D HA -0.146 4.495 4.640 0.001 0.000 0.202 659 D C 1.601 177.937 176.300 0.060 0.000 0.974 659 D CA 1.290 55.415 54.000 0.208 0.000 0.841 659 D CB -0.466 40.497 40.800 0.272 0.000 0.953 659 D HN 0.329 nan 8.370 nan 0.000 0.478 660 D N -0.072 120.367 120.400 0.065 0.000 2.371 660 D HA 0.018 4.659 4.640 0.001 0.000 0.221 660 D C 0.480 176.768 176.300 -0.019 0.000 0.986 660 D CA 0.167 54.187 54.000 0.032 0.000 0.899 660 D CB 0.093 40.926 40.800 0.055 0.000 0.902 660 D HN 0.224 nan 8.370 nan 0.000 0.530 661 L N 1.964 123.133 121.223 -0.089 0.000 2.371 661 L HA 0.276 4.616 4.340 0.001 0.000 0.272 661 L C -1.861 174.916 176.870 -0.155 0.000 1.124 661 L CA -1.848 52.907 54.840 -0.143 0.000 0.816 661 L CB 0.502 42.405 42.059 -0.259 0.000 1.129 661 L HN -0.173 nan 8.230 nan 0.000 0.448 662 P HA 0.060 nan 4.420 nan 0.000 0.272 662 P C 0.717 177.943 177.300 -0.123 0.000 1.230 662 P CA -0.448 62.599 63.100 -0.087 0.000 0.788 662 P CB 0.839 32.505 31.700 -0.057 0.000 0.949 663 L N 1.535 122.717 121.223 -0.068 0.000 2.051 663 L HA -0.283 4.057 4.340 0.001 0.000 0.214 663 L C 2.698 179.512 176.870 -0.094 0.000 1.076 663 L CA 3.032 57.850 54.840 -0.036 0.000 0.758 663 L CB -1.638 40.447 42.059 0.044 0.000 0.890 663 L HN 0.448 nan 8.230 nan 0.000 0.433 664 A N -1.130 121.645 122.820 -0.075 0.000 1.930 664 A HA -0.198 4.123 4.320 0.001 0.000 0.217 664 A C 2.280 179.788 177.584 -0.127 0.000 1.175 664 A CA 1.595 53.587 52.037 -0.075 0.000 0.627 664 A CB -0.442 18.535 19.000 -0.037 0.000 0.815 664 A HN 0.493 nan 8.150 nan 0.000 0.443 665 E N -0.527 119.585 120.200 -0.147 0.000 2.152 665 E HA -0.179 4.171 4.350 0.001 0.000 0.192 665 E C 2.241 178.666 176.600 -0.293 0.000 0.983 665 E CA 0.956 57.257 56.400 -0.165 0.000 0.818 665 E CB -0.114 29.505 29.700 -0.134 0.000 0.758 665 E HN 0.719 nan 8.360 nan 0.000 0.467 666 Q N 0.269 119.797 119.800 -0.453 0.000 2.079 666 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 666 Q C 2.258 177.806 176.000 -0.755 0.000 0.974 666 Q CA 0.990 56.349 55.803 -0.740 0.000 0.840 666 Q CB -0.125 28.075 28.738 -0.897 0.000 0.898 666 Q HN 0.118 nan 8.270 nan 0.000 0.430 667 R N 0.736 120.697 120.500 -0.898 0.000 2.083 667 R HA -0.214 4.127 4.340 0.001 0.000 0.237 667 R C 2.045 178.312 176.300 -0.055 0.000 1.137 667 R CA 1.642 57.359 56.100 -0.639 0.000 0.951 667 R CB 0.009 30.163 30.300 -0.244 0.000 0.851 667 R HN 0.078 nan 8.270 nan 0.000 0.434 668 E N 0.342 120.513 120.200 -0.047 0.000 2.077 668 E HA -0.111 4.239 4.350 0.001 0.000 0.193 668 E C 1.690 178.284 176.600 -0.011 0.000 0.989 668 E CA 1.624 58.042 56.400 0.029 0.000 0.800 668 E CB -0.264 29.438 29.700 0.002 0.000 0.746 668 E HN 0.438 nan 8.360 nan 0.000 0.452 669 A N -0.157 122.614 122.820 -0.081 0.000 1.917 669 A HA -0.249 4.072 4.320 0.001 0.000 0.219 669 A C 2.566 180.197 177.584 0.079 0.000 1.182 669 A CA 1.713 53.698 52.037 -0.087 0.000 0.633 669 A CB -1.086 17.663 19.000 -0.419 0.000 0.819 669 A HN 0.492 nan 8.150 nan 0.000 0.448 670 C N -0.616 118.780 119.300 0.159 0.000 2.432 670 C HA -0.031 4.430 4.460 0.001 0.000 0.280 670 C C 2.855 177.939 174.990 0.157 0.000 1.353 670 C CA 0.981 60.166 59.018 0.278 0.000 1.766 670 C CB -1.245 26.696 27.740 0.335 0.000 1.924 670 C HN 0.779 nan 8.230 nan 0.000 0.509 671 R N 1.932 122.440 120.500 0.014 0.000 2.115 671 R HA -0.087 4.253 4.340 0.001 0.000 0.226 671 R C 2.053 178.306 176.300 -0.077 0.000 1.100 671 R CA 1.667 57.650 56.100 -0.195 0.000 0.980 671 R CB -0.346 29.552 30.300 -0.669 0.000 0.875 671 R HN 0.665 nan 8.270 nan 0.000 0.445 672 R N -0.088 120.413 120.500 0.003 0.000 2.307 672 R HA 0.365 4.705 4.340 0.001 0.000 0.200 672 R C 0.410 176.777 176.300 0.112 0.000 0.893 672 R CA 0.298 56.425 56.100 0.045 0.000 1.042 672 R CB 0.207 30.529 30.300 0.037 0.000 1.059 672 R HN 0.078 nan 8.270 nan 0.000 0.530 673 A N 0.781 123.688 122.820 0.145 0.000 2.462 673 A HA 0.274 4.594 4.320 0.001 0.000 0.243 673 A C 0.461 178.122 177.584 0.129 0.000 1.076 673 A CA -0.379 51.740 52.037 0.136 0.000 0.773 673 A CB 0.438 19.442 19.000 0.007 0.000 1.010 673 A HN 0.512 nan 8.150 nan 0.000 0.493 674 C N 0.503 119.880 119.300 0.129 0.000 3.491 674 C HA 0.381 4.842 4.460 0.001 0.000 0.298 674 C C 0.443 175.382 174.990 -0.084 0.000 1.424 674 C CA -0.273 58.754 59.018 0.014 0.000 1.772 674 C CB -1.199 26.480 27.740 -0.102 0.000 2.447 674 C HN 0.859 nan 8.230 nan 0.000 0.670 675 C N 1.475 120.737 119.300 -0.064 0.000 2.599 675 C HA 0.701 5.162 4.460 0.001 0.000 0.354 675 C C -1.494 173.362 174.990 -0.222 0.000 1.092 675 C CA -0.560 58.415 59.018 -0.071 0.000 1.280 675 C CB -0.713 27.042 27.740 0.024 0.000 1.829 675 C HN 0.416 nan 8.230 nan 0.000 0.454 676 F N 4.517 124.485 119.950 0.030 0.000 2.444 676 F HA 0.696 5.224 4.527 0.001 0.000 0.342 676 F C 0.618 176.414 175.800 -0.006 0.000 1.121 676 F CA -0.126 57.876 58.000 0.004 0.000 0.997 676 F CB 1.771 40.719 39.000 -0.085 0.000 1.130 676 F HN 0.801 nan 8.300 nan 0.000 0.454 677 A N 3.626 126.533 122.820 0.146 0.000 2.337 677 A HA 0.752 5.072 4.320 0.001 0.000 0.329 677 A C -0.133 177.510 177.584 0.098 0.000 1.146 677 A CA -0.934 51.163 52.037 0.099 0.000 0.800 677 A CB 0.744 19.785 19.000 0.069 0.000 1.220 677 A HN 0.864 nan 8.150 nan 0.000 0.472 678 R N -0.167 120.384 120.500 0.086 0.000 2.974 678 R HA -0.129 4.211 4.340 0.001 0.000 0.258 678 R C -0.795 175.561 176.300 0.092 0.000 0.892 678 R CA 0.491 56.645 56.100 0.090 0.000 0.664 678 R CB -1.974 28.384 30.300 0.096 0.000 1.478 678 R HN 0.545 nan 8.270 nan 0.000 0.498 679 V N 1.243 121.209 119.914 0.088 0.000 2.960 679 V HA 0.403 4.523 4.120 0.001 0.000 0.315 679 V C 0.113 176.332 176.094 0.209 0.000 1.087 679 V CA -0.762 61.603 62.300 0.108 0.000 0.982 679 V CB 2.338 34.145 31.823 -0.026 0.000 1.039 679 V HN 0.347 nan 8.190 nan 0.000 0.437 680 E N 3.593 124.039 120.200 0.409 0.000 2.254 680 E HA 0.418 4.769 4.350 0.001 0.000 0.258 680 E C -2.029 174.588 176.600 0.029 0.000 1.033 680 E CA -2.019 54.456 56.400 0.125 0.000 0.893 680 E CB 0.652 30.364 29.700 0.021 0.000 1.204 680 E HN 0.344 nan 8.360 nan 0.000 0.425 681 P HA -0.146 nan 4.420 nan 0.000 0.218 681 P C 1.373 178.619 177.300 -0.089 0.000 1.149 681 P CA 1.683 64.746 63.100 -0.060 0.000 0.817 681 P CB 0.092 31.745 31.700 -0.078 0.000 0.785 682 S N -1.080 114.537 115.700 -0.139 0.000 2.387 682 S HA -0.289 4.182 4.470 0.001 0.000 0.230 682 S C 1.781 176.278 174.600 -0.171 0.000 1.035 682 S CA 1.532 59.628 58.200 -0.174 0.000 1.014 682 S CB -1.866 61.197 63.200 -0.228 0.000 0.836 682 S HN 0.295 nan 8.310 nan 0.000 0.466 683 H N 1.566 120.577 119.070 -0.097 0.000 2.387 683 H HA 0.062 4.618 4.556 0.001 0.000 0.299 683 H C 2.330 177.505 175.328 -0.256 0.000 1.090 683 H CA 1.683 57.614 56.048 -0.194 0.000 1.332 683 H CB -0.078 29.515 29.762 -0.281 0.000 1.386 683 H HN 0.424 nan 8.280 nan 0.000 0.516 684 K N 0.068 120.415 120.400 -0.088 0.000 2.063 684 K HA -0.119 4.202 4.320 0.001 0.000 0.208 684 K C 2.438 178.974 176.600 -0.107 0.000 1.048 684 K CA 1.428 57.640 56.287 -0.124 0.000 0.928 684 K CB -0.035 32.414 32.500 -0.086 0.000 0.713 684 K HN 0.103 nan 8.250 nan 0.000 0.442 685 S N 0.871 116.516 115.700 -0.091 0.000 2.368 685 S HA -0.108 4.363 4.470 0.001 0.000 0.224 685 S C 1.745 176.281 174.600 -0.106 0.000 1.029 685 S CA 1.269 59.416 58.200 -0.090 0.000 0.988 685 S CB -0.010 63.138 63.200 -0.086 0.000 0.838 685 S HN 0.240 nan 8.310 nan 0.000 0.462 686 K N 0.731 121.072 120.400 -0.098 0.000 2.057 686 K HA 0.052 4.372 4.320 0.001 0.000 0.206 686 K C 1.927 178.483 176.600 -0.074 0.000 1.050 686 K CA 1.104 57.318 56.287 -0.122 0.000 0.935 686 K CB -0.259 32.285 32.500 0.074 0.000 0.715 686 K HN 0.294 nan 8.250 nan 0.000 0.439 687 I N 0.498 121.039 120.570 -0.049 0.000 2.163 687 I HA -0.316 3.855 4.170 0.001 0.000 0.243 687 I C 2.094 178.229 176.117 0.030 0.000 1.085 687 I CA 1.154 62.439 61.300 -0.025 0.000 1.347 687 I CB -0.299 37.517 38.000 -0.307 0.000 1.044 687 I HN -0.044 nan 8.210 nan 0.000 0.408 688 V N 0.585 120.479 119.914 -0.034 0.000 2.332 688 V HA -0.290 3.830 4.120 0.001 0.000 0.248 688 V C 2.345 178.431 176.094 -0.014 0.000 1.055 688 V CA 1.954 64.245 62.300 -0.015 0.000 1.038 688 V CB -0.715 31.086 31.823 -0.037 0.000 0.651 688 V HN 0.443 nan 8.190 nan 0.000 0.450 689 E N -0.804 119.344 120.200 -0.088 0.000 2.031 689 E HA -0.230 4.121 4.350 0.001 0.000 0.193 689 E C 2.228 178.780 176.600 -0.080 0.000 0.994 689 E CA 1.826 58.141 56.400 -0.142 0.000 0.800 689 E CB -0.294 29.234 29.700 -0.287 0.000 0.752 689 E HN 0.668 nan 8.360 nan 0.000 0.447 690 Y N 0.326 120.663 120.300 0.062 0.000 2.151 690 Y HA -0.214 4.336 4.550 0.001 0.000 0.284 690 Y C 2.141 178.143 175.900 0.169 0.000 1.166 690 Y CA 0.740 58.903 58.100 0.105 0.000 1.163 690 Y CB -0.451 38.120 38.460 0.185 0.000 0.974 690 Y HN 0.079 nan 8.280 nan 0.000 0.511 691 L N -0.142 121.266 121.223 0.308 0.000 2.093 691 L HA -0.187 4.154 4.340 0.001 0.000 0.208 691 L C 2.143 179.137 176.870 0.207 0.000 1.085 691 L CA 1.616 56.621 54.840 0.276 0.000 0.755 691 L CB -1.191 40.970 42.059 0.169 0.000 0.904 691 L HN 0.293 nan 8.230 nan 0.000 0.435 692 Q N -1.364 118.504 119.800 0.113 0.000 2.297 692 Q HA -0.112 4.228 4.340 0.001 0.000 0.204 692 Q C 2.199 178.220 176.000 0.035 0.000 0.962 692 Q CA 1.248 57.086 55.803 0.059 0.000 0.879 692 Q CB -0.070 28.676 28.738 0.013 0.000 0.947 692 Q HN 0.621 nan 8.270 nan 0.000 0.462 693 S N -0.617 115.091 115.700 0.013 0.000 2.481 693 S HA -0.118 4.353 4.470 0.001 0.000 0.231 693 S C 0.915 175.389 174.600 -0.210 0.000 0.996 693 S CA 0.556 58.686 58.200 -0.118 0.000 0.942 693 S CB -0.122 62.968 63.200 -0.182 0.000 0.768 693 S HN 0.400 nan 8.310 nan 0.000 0.520 694 Y N 1.920 122.260 120.300 0.066 0.000 2.708 694 Y HA 0.315 4.866 4.550 0.001 0.000 0.287 694 Y C 0.243 176.165 175.900 0.037 0.000 1.145 694 Y CA -0.757 57.374 58.100 0.051 0.000 1.249 694 Y CB -0.226 38.268 38.460 0.057 0.000 1.152 694 Y HN 0.116 nan 8.280 nan 0.000 0.532 695 D N -0.677 119.799 120.400 0.127 0.000 3.070 695 D HA -0.200 4.440 4.640 0.001 0.000 0.220 695 D C -0.301 176.048 176.300 0.081 0.000 1.176 695 D CA 0.939 54.989 54.000 0.082 0.000 0.924 695 D CB -0.660 40.178 40.800 0.063 0.000 1.124 695 D HN 0.437 nan 8.370 nan 0.000 0.411 696 E N -0.124 120.143 120.200 0.111 0.000 2.467 696 E HA 0.107 4.458 4.350 0.001 0.000 0.264 696 E C 0.706 177.333 176.600 0.046 0.000 1.020 696 E CA 0.151 56.598 56.400 0.078 0.000 0.945 696 E CB 0.638 30.395 29.700 0.096 0.000 0.942 696 E HN 0.190 nan 8.360 nan 0.000 0.449 697 I N 2.293 122.878 120.570 0.024 0.000 2.307 697 I HA 0.068 4.238 4.170 0.001 0.000 0.289 697 I C 0.050 176.172 176.117 0.009 0.000 1.021 697 I CA 0.161 61.464 61.300 0.006 0.000 1.224 697 I CB 1.122 39.112 38.000 -0.017 0.000 1.376 697 I HN 0.182 nan 8.210 nan 0.000 0.470 698 T N 6.052 120.612 114.554 0.011 0.000 2.794 698 T HA 0.751 5.102 4.350 0.001 0.000 0.280 698 T C -0.090 174.612 174.700 0.003 0.000 0.987 698 T CA -0.619 61.490 62.100 0.016 0.000 0.993 698 T CB 1.373 70.257 68.868 0.027 0.000 0.939 698 T HN 0.578 nan 8.240 nan 0.000 0.449 699 A N 3.521 126.344 122.820 0.005 0.000 2.301 699 A HA 0.831 5.151 4.320 0.001 0.000 0.312 699 A C -0.399 177.192 177.584 0.012 0.000 1.182 699 A CA -0.711 51.325 52.037 -0.001 0.000 0.826 699 A CB 0.681 19.673 19.000 -0.013 0.000 1.134 699 A HN 0.766 nan 8.150 nan 0.000 0.501 700 M N 2.474 122.076 119.600 0.003 0.000 2.327 700 M HA 0.500 4.981 4.480 0.001 0.000 0.298 700 M C 0.053 176.357 176.300 0.006 0.000 1.065 700 M CA -0.096 55.207 55.300 0.006 0.000 0.916 700 M CB 1.988 34.582 32.600 -0.011 0.000 1.630 700 M HN 0.792 nan 8.290 nan 0.000 0.442 701 T N 1.300 115.866 114.554 0.020 0.000 2.899 701 T HA 0.955 5.305 4.350 0.001 0.000 0.284 701 T C 0.195 174.898 174.700 0.005 0.000 1.004 701 T CA -0.153 61.959 62.100 0.019 0.000 1.043 701 T CB 1.285 70.179 68.868 0.043 0.000 1.013 701 T HN 1.059 nan 8.240 nan 0.000 0.518 702 G N -0.157 108.645 108.800 0.003 0.000 2.646 702 G HA2 0.533 4.493 3.960 0.001 0.000 0.291 702 G HA3 0.533 4.493 3.960 0.001 0.000 0.291 702 G C -0.628 174.271 174.900 -0.001 0.000 1.445 702 G CA -0.274 44.824 45.100 -0.004 0.000 0.814 702 G HN 0.739 nan 8.290 nan 0.000 0.495 703 D N -1.235 119.162 120.400 -0.005 0.000 2.186 703 D HA 0.175 4.815 4.640 0.001 0.000 0.316 703 D C 0.968 177.266 176.300 -0.004 0.000 1.071 703 D CA 0.685 54.686 54.000 0.001 0.000 0.869 703 D CB 0.617 41.421 40.800 0.007 0.000 1.623 703 D HN 0.825 nan 8.370 nan 0.000 0.531 704 G N 0.761 109.549 108.800 -0.020 0.000 2.552 704 G HA2 0.431 4.391 3.960 0.001 0.000 0.324 704 G HA3 0.431 4.391 3.960 0.001 0.000 0.324 704 G C 1.003 175.870 174.900 -0.055 0.000 1.217 704 G CA -0.300 44.777 45.100 -0.038 0.000 0.989 704 G HN -0.081 nan 8.290 nan 0.000 0.490 705 V N 1.379 121.236 119.914 -0.095 0.000 2.469 705 V HA -0.201 3.920 4.120 0.001 0.000 0.251 705 V C 2.697 178.729 176.094 -0.103 0.000 1.064 705 V CA 2.001 64.234 62.300 -0.112 0.000 1.066 705 V CB -0.622 31.067 31.823 -0.224 0.000 0.667 705 V HN 0.848 nan 8.190 nan 0.000 0.461 706 N N -0.117 118.515 118.700 -0.112 0.000 2.381 706 N HA -0.177 4.564 4.740 0.001 0.000 0.182 706 N C 1.093 176.557 175.510 -0.077 0.000 1.025 706 N CA 1.420 54.406 53.050 -0.106 0.000 0.888 706 N CB -0.345 38.072 38.487 -0.117 0.000 0.965 706 N HN 0.460 nan 8.380 nan 0.000 0.438 707 D N 0.913 121.277 120.400 -0.061 0.000 2.348 707 D HA 0.144 4.784 4.640 0.001 0.000 0.211 707 D C 1.821 178.096 176.300 -0.042 0.000 0.998 707 D CA 0.320 54.292 54.000 -0.046 0.000 0.873 707 D CB 0.147 40.927 40.800 -0.033 0.000 0.925 707 D HN 0.334 nan 8.370 nan 0.000 0.524 708 A N 2.181 124.976 122.820 -0.042 0.000 1.892 708 A HA -0.154 4.167 4.320 0.001 0.000 0.218 708 A C -0.212 177.351 177.584 -0.034 0.000 1.188 708 A CA 1.399 53.417 52.037 -0.032 0.000 0.631 708 A CB -1.484 17.500 19.000 -0.027 0.000 0.822 708 A HN 0.177 nan 8.150 nan 0.000 0.447 709 P HA -0.116 nan 4.420 nan 0.000 0.215 709 P C 1.697 178.970 177.300 -0.044 0.000 1.153 709 P CA 1.989 65.064 63.100 -0.043 0.000 0.853 709 P CB -0.129 31.540 31.700 -0.051 0.000 0.788 710 A N -0.820 121.972 122.820 -0.047 0.000 1.929 710 A HA -0.113 4.207 4.320 0.001 0.000 0.216 710 A C 2.195 179.757 177.584 -0.038 0.000 1.176 710 A CA 1.190 53.199 52.037 -0.048 0.000 0.628 710 A CB -1.620 17.348 19.000 -0.053 0.000 0.816 710 A HN 0.099 nan 8.150 nan 0.000 0.444 711 L N -0.633 120.571 121.223 -0.032 0.000 2.083 711 L HA -0.197 4.143 4.340 0.001 0.000 0.209 711 L C 2.606 179.460 176.870 -0.026 0.000 1.083 711 L CA 1.897 56.722 54.840 -0.026 0.000 0.752 711 L CB -0.360 41.686 42.059 -0.022 0.000 0.899 711 L HN 0.422 nan 8.230 nan 0.000 0.433 712 K N 0.499 120.883 120.400 -0.027 0.000 2.057 712 K HA -0.223 4.097 4.320 0.001 0.000 0.206 712 K C 2.238 178.821 176.600 -0.028 0.000 1.050 712 K CA 1.357 57.628 56.287 -0.027 0.000 0.935 712 K CB 0.078 32.562 32.500 -0.026 0.000 0.715 712 K HN 0.075 nan 8.250 nan 0.000 0.439 713 K N 0.318 120.698 120.400 -0.033 0.000 2.097 713 K HA 0.000 4.321 4.320 0.001 0.000 0.205 713 K C 0.190 176.772 176.600 -0.029 0.000 1.050 713 K CA 0.703 56.970 56.287 -0.034 0.000 0.938 713 K CB -0.049 32.426 32.500 -0.043 0.000 0.718 713 K HN 0.188 nan 8.250 nan 0.000 0.442 714 A N 1.202 124.006 122.820 -0.027 0.000 2.445 714 A HA 0.042 4.363 4.320 0.001 0.000 0.242 714 A C 0.496 178.068 177.584 -0.021 0.000 1.075 714 A CA -0.242 51.783 52.037 -0.020 0.000 0.777 714 A CB 0.413 19.402 19.000 -0.018 0.000 1.013 714 A HN 0.333 nan 8.150 nan 0.000 0.493 715 E N 0.671 120.861 120.200 -0.018 0.000 2.097 715 E HA -0.150 4.200 4.350 0.001 0.000 0.196 715 E C -0.256 176.328 176.600 -0.026 0.000 1.000 715 E CA 1.616 58.003 56.400 -0.022 0.000 0.804 715 E CB -0.240 29.447 29.700 -0.021 0.000 0.740 715 E HN 0.623 nan 8.360 nan 0.000 0.454 716 I N 0.216 120.771 120.570 -0.024 0.000 2.502 716 I HA 0.285 4.455 4.170 0.001 0.000 0.276 716 I C 0.296 176.399 176.117 -0.023 0.000 1.057 716 I CA -0.481 60.803 61.300 -0.028 0.000 1.163 716 I CB 1.593 39.573 38.000 -0.033 0.000 1.288 716 I HN -0.129 nan 8.210 nan 0.000 0.479 717 G N 6.497 115.283 108.800 -0.023 0.000 2.378 717 G HA2 0.579 4.539 3.960 0.001 0.000 0.255 717 G HA3 0.579 4.539 3.960 0.001 0.000 0.255 717 G C -0.248 174.640 174.900 -0.020 0.000 1.270 717 G CA -0.164 44.924 45.100 -0.020 0.000 0.876 717 G HN 0.519 nan 8.290 nan 0.000 0.521 718 I N 1.953 122.514 120.570 -0.015 0.000 2.439 718 I HA 0.443 4.613 4.170 0.001 0.000 0.283 718 I C 0.406 176.520 176.117 -0.006 0.000 1.023 718 I CA -0.734 60.557 61.300 -0.014 0.000 1.100 718 I CB 1.826 39.817 38.000 -0.016 0.000 1.238 718 I HN 0.562 nan 8.210 nan 0.000 0.445 719 A N 7.460 130.276 122.820 -0.007 0.000 2.295 719 A HA 0.831 5.152 4.320 0.001 0.000 0.318 719 A C -0.129 177.457 177.584 0.003 0.000 1.134 719 A CA -0.669 51.368 52.037 -0.001 0.000 0.827 719 A CB 0.999 19.998 19.000 -0.002 0.000 1.136 719 A HN 0.605 nan 8.150 nan 0.000 0.493 720 M N 1.825 121.430 119.600 0.009 0.000 2.211 720 M HA 0.193 4.673 4.480 0.001 0.000 0.356 720 M C 1.605 177.912 176.300 0.011 0.000 1.216 720 M CA -0.047 55.261 55.300 0.013 0.000 1.134 720 M CB 0.503 33.114 32.600 0.018 0.000 1.564 720 M HN 0.935 nan 8.290 nan 0.000 0.463 721 G N 1.581 110.387 108.800 0.010 0.000 2.469 721 G HA2 -0.207 3.753 3.960 0.001 0.000 0.220 721 G HA3 -0.207 3.753 3.960 0.001 0.000 0.220 721 G C 1.267 176.174 174.900 0.012 0.000 1.136 721 G CA 1.329 46.435 45.100 0.009 0.000 0.759 721 G HN 0.761 nan 8.290 nan 0.000 0.562 722 S N 0.124 115.833 115.700 0.016 0.000 2.603 722 S HA 0.421 4.891 4.470 0.001 0.000 0.220 722 S C 1.261 175.874 174.600 0.020 0.000 0.967 722 S CA 0.276 58.487 58.200 0.018 0.000 0.920 722 S CB 0.201 63.413 63.200 0.021 0.000 0.773 722 S HN 0.508 nan 8.310 nan 0.000 0.529 723 G N 1.538 110.350 108.800 0.020 0.000 2.531 723 G HA2 0.487 4.448 3.960 0.001 0.000 0.281 723 G HA3 0.487 4.448 3.960 0.001 0.000 0.281 723 G C -0.045 174.874 174.900 0.032 0.000 1.382 723 G CA -0.205 44.909 45.100 0.023 0.000 1.045 723 G HN 0.450 nan 8.290 nan 0.000 0.533 724 T N -2.695 111.883 114.554 0.040 0.000 2.899 724 T HA 0.439 4.790 4.350 0.001 0.000 0.295 724 T C 1.567 176.302 174.700 0.060 0.000 1.033 724 T CA 0.406 62.548 62.100 0.070 0.000 1.084 724 T CB 1.483 70.410 68.868 0.100 0.000 0.979 724 T HN 0.875 nan 8.240 nan 0.000 0.532 725 A N 2.279 125.139 122.820 0.067 0.000 1.972 725 A HA 0.028 4.348 4.320 0.001 0.000 0.219 725 A C 2.314 179.929 177.584 0.052 0.000 1.169 725 A CA 1.397 53.459 52.037 0.042 0.000 0.635 725 A CB -1.049 17.963 19.000 0.020 0.000 0.810 725 A HN 0.767 nan 8.150 nan 0.000 0.446 726 V N -0.222 119.750 119.914 0.098 0.000 2.295 726 V HA -0.247 3.874 4.120 0.001 0.000 0.246 726 V C 3.060 179.178 176.094 0.041 0.000 1.049 726 V CA 1.896 64.249 62.300 0.088 0.000 1.024 726 V CB -1.233 30.677 31.823 0.146 0.000 0.648 726 V HN 0.612 nan 8.190 nan 0.000 0.447 727 A N -0.149 122.690 122.820 0.032 0.000 1.908 727 A HA -0.262 4.059 4.320 0.001 0.000 0.218 727 A C 2.279 179.867 177.584 0.006 0.000 1.181 727 A CA 2.098 54.142 52.037 0.010 0.000 0.627 727 A CB -0.459 18.545 19.000 0.007 0.000 0.818 727 A HN 0.564 nan 8.150 nan 0.000 0.445 728 K N -0.606 119.801 120.400 0.011 0.000 2.032 728 K HA -0.142 4.179 4.320 0.001 0.000 0.209 728 K C 2.137 178.735 176.600 -0.004 0.000 1.048 728 K CA 1.920 58.208 56.287 0.002 0.000 0.927 728 K CB -0.538 31.964 32.500 0.003 0.000 0.712 728 K HN 0.724 nan 8.250 nan 0.000 0.441 729 T N -1.457 113.097 114.554 0.001 0.000 3.072 729 T HA 0.079 4.430 4.350 0.001 0.000 0.266 729 T C 1.700 176.394 174.700 -0.010 0.000 1.127 729 T CA 0.772 62.868 62.100 -0.007 0.000 1.107 729 T CB 0.081 68.948 68.868 -0.003 0.000 0.910 729 T HN 0.153 nan 8.240 nan 0.000 0.513 730 A N 1.292 124.108 122.820 -0.007 0.000 2.275 730 A HA 0.508 4.829 4.320 0.001 0.000 0.212 730 A C 1.338 178.912 177.584 -0.017 0.000 1.201 730 A CA 0.011 52.041 52.037 -0.012 0.000 0.843 730 A CB -0.171 18.823 19.000 -0.010 0.000 0.873 730 A HN 0.642 nan 8.150 nan 0.000 0.492 731 S N -1.417 114.273 115.700 -0.017 0.000 2.621 731 S HA 0.554 5.024 4.470 0.001 0.000 0.302 731 S C 0.219 174.805 174.600 -0.025 0.000 1.093 731 S CA -0.430 57.758 58.200 -0.020 0.000 1.017 731 S CB 1.498 64.688 63.200 -0.016 0.000 1.077 731 S HN 0.068 nan 8.310 nan 0.000 0.517 732 E N 0.245 120.429 120.200 -0.027 0.000 2.230 732 E HA 0.279 4.629 4.350 0.001 0.000 0.192 732 E C 0.294 176.875 176.600 -0.032 0.000 0.987 732 E CA 0.719 57.100 56.400 -0.031 0.000 0.841 732 E CB 0.085 29.765 29.700 -0.032 0.000 0.783 732 E HN 0.706 nan 8.360 nan 0.000 0.481 733 M N -0.101 119.481 119.600 -0.029 0.000 2.484 733 M HA 0.399 4.879 4.480 0.001 0.000 0.289 733 M C -1.791 174.494 176.300 -0.024 0.000 1.206 733 M CA -0.763 54.519 55.300 -0.030 0.000 0.892 733 M CB 1.973 34.551 32.600 -0.037 0.000 1.712 733 M HN -0.290 nan 8.290 nan 0.000 0.462 734 V N 4.750 124.651 119.914 -0.022 0.000 2.555 734 V HA 0.491 4.612 4.120 0.001 0.000 0.302 734 V C -0.655 175.430 176.094 -0.016 0.000 1.038 734 V CA -0.744 61.547 62.300 -0.015 0.000 0.887 734 V CB 1.915 33.731 31.823 -0.012 0.000 0.991 734 V HN 0.773 nan 8.190 nan 0.000 0.434 735 L N 3.782 124.999 121.223 -0.011 0.000 2.255 735 L HA 0.459 4.800 4.340 0.001 0.000 0.289 735 L C 1.417 178.286 176.870 -0.002 0.000 1.046 735 L CA -0.355 54.480 54.840 -0.010 0.000 0.816 735 L CB 1.205 43.261 42.059 -0.006 0.000 1.197 735 L HN 0.816 nan 8.230 nan 0.000 0.427 736 A N 2.255 125.073 122.820 -0.003 0.000 2.067 736 A HA -0.150 4.171 4.320 0.001 0.000 0.219 736 A C 1.438 179.026 177.584 0.006 0.000 1.158 736 A CA 1.528 53.566 52.037 0.001 0.000 0.661 736 A CB -0.289 18.711 19.000 -0.001 0.000 0.801 736 A HN 0.869 nan 8.150 nan 0.000 0.452 737 D N -2.677 117.727 120.400 0.008 0.000 2.431 737 D HA 0.132 4.773 4.640 0.001 0.000 0.213 737 D C -0.262 176.051 176.300 0.022 0.000 1.130 737 D CA 0.517 54.525 54.000 0.014 0.000 0.834 737 D CB -0.196 40.612 40.800 0.013 0.000 0.985 737 D HN 0.194 nan 8.370 nan 0.000 0.504 738 D N -0.133 120.280 120.400 0.021 0.000 3.006 738 D HA -0.240 4.400 4.640 0.001 0.000 0.208 738 D C -0.217 176.111 176.300 0.048 0.000 1.116 738 D CA 0.943 54.961 54.000 0.031 0.000 0.998 738 D CB -2.066 38.755 40.800 0.034 0.000 1.124 738 D HN 0.572 nan 8.370 nan 0.000 0.413 739 N N -0.508 118.219 118.700 0.044 0.000 2.430 739 N HA 0.193 4.933 4.740 0.001 0.000 0.265 739 N C 1.161 176.725 175.510 0.090 0.000 1.100 739 N CA -0.394 52.699 53.050 0.072 0.000 0.961 739 N CB 0.231 38.748 38.487 0.051 0.000 1.075 739 N HN 0.001 nan 8.380 nan 0.000 0.478 740 F N 3.314 123.260 119.950 -0.008 0.000 2.184 740 F HA -0.264 4.264 4.527 0.001 0.000 0.301 740 F C 1.993 177.787 175.800 -0.010 0.000 1.076 740 F CA 1.519 59.513 58.000 -0.010 0.000 1.295 740 F CB 0.008 39.000 39.000 -0.014 0.000 1.026 740 F HN 0.462 nan 8.300 nan 0.000 0.494 741 S N -0.633 115.082 115.700 0.026 0.000 2.406 741 S HA -0.147 4.323 4.470 0.001 0.000 0.228 741 S C 1.862 176.382 174.600 -0.135 0.000 1.020 741 S CA 1.437 59.603 58.200 -0.056 0.000 0.965 741 S CB -0.453 62.779 63.200 0.053 0.000 0.798 741 S HN 0.508 nan 8.310 nan 0.000 0.488 742 T N 2.723 117.218 114.554 -0.099 0.000 2.803 742 T HA -0.026 4.324 4.350 0.001 0.000 0.269 742 T C 1.650 176.259 174.700 -0.153 0.000 1.052 742 T CA 1.050 63.092 62.100 -0.096 0.000 1.136 742 T CB -0.405 68.429 68.868 -0.056 0.000 0.864 742 T HN 0.373 nan 8.240 nan 0.000 0.467 743 I N 0.783 121.202 120.570 -0.252 0.000 2.142 743 I HA -0.156 4.014 4.170 0.001 0.000 0.240 743 I C 2.491 178.437 176.117 -0.286 0.000 1.078 743 I CA 1.001 62.126 61.300 -0.291 0.000 1.343 743 I CB -0.639 37.104 38.000 -0.429 0.000 1.046 743 I HN 0.083 nan 8.210 nan 0.000 0.405 744 V N 1.192 120.877 119.914 -0.381 0.000 2.343 744 V HA -0.290 3.830 4.120 0.001 0.000 0.247 744 V C 2.739 178.749 176.094 -0.140 0.000 1.051 744 V CA 2.037 64.184 62.300 -0.255 0.000 1.036 744 V CB -1.097 30.588 31.823 -0.230 0.000 0.654 744 V HN 0.510 nan 8.190 nan 0.000 0.451 745 A N -0.089 122.658 122.820 -0.121 0.000 1.972 745 A HA -0.058 4.262 4.320 0.001 0.000 0.219 745 A C 2.387 179.929 177.584 -0.070 0.000 1.169 745 A CA 1.906 53.899 52.037 -0.075 0.000 0.635 745 A CB -0.641 18.325 19.000 -0.058 0.000 0.810 745 A HN 0.570 nan 8.150 nan 0.000 0.446 746 A N -0.655 122.113 122.820 -0.086 0.000 1.930 746 A HA 0.067 4.387 4.320 0.001 0.000 0.217 746 A C 2.181 179.724 177.584 -0.067 0.000 1.175 746 A CA 1.582 53.576 52.037 -0.072 0.000 0.627 746 A CB -0.711 18.243 19.000 -0.077 0.000 0.815 746 A HN 0.338 nan 8.150 nan 0.000 0.443 747 V N -0.005 119.861 119.914 -0.080 0.000 2.358 747 V HA -0.249 3.872 4.120 0.001 0.000 0.246 747 V C 2.510 178.576 176.094 -0.047 0.000 1.047 747 V CA 2.241 64.501 62.300 -0.067 0.000 1.035 747 V CB -0.601 31.176 31.823 -0.076 0.000 0.658 747 V HN 0.780 nan 8.190 nan 0.000 0.452 748 E N 0.128 120.301 120.200 -0.045 0.000 2.051 748 E HA -0.305 4.046 4.350 0.001 0.000 0.192 748 E C 2.186 178.771 176.600 -0.024 0.000 0.991 748 E CA 1.594 57.977 56.400 -0.029 0.000 0.799 748 E CB -0.054 29.629 29.700 -0.028 0.000 0.748 748 E HN 0.575 nan 8.360 nan 0.000 0.449 749 E N -0.177 120.004 120.200 -0.031 0.000 2.118 749 E HA -0.141 4.210 4.350 0.001 0.000 0.195 749 E C 1.802 178.388 176.600 -0.023 0.000 0.992 749 E CA 1.567 57.949 56.400 -0.030 0.000 0.804 749 E CB -0.659 29.019 29.700 -0.037 0.000 0.741 749 E HN 0.388 nan 8.360 nan 0.000 0.458 750 G N -0.064 108.722 108.800 -0.023 0.000 2.402 750 G HA2 -0.276 3.685 3.960 0.001 0.000 0.216 750 G HA3 -0.276 3.685 3.960 0.001 0.000 0.216 750 G C 1.651 176.563 174.900 0.019 0.000 1.162 750 G CA 0.743 45.836 45.100 -0.012 0.000 0.777 750 G HN 0.194 nan 8.290 nan 0.000 0.539 751 R N 0.344 120.850 120.500 0.010 0.000 2.081 751 R HA 0.044 4.384 4.340 0.001 0.000 0.235 751 R C 2.972 179.304 176.300 0.053 0.000 1.131 751 R CA 1.229 57.351 56.100 0.037 0.000 0.960 751 R CB -0.261 30.047 30.300 0.014 0.000 0.856 751 R HN 0.362 nan 8.270 nan 0.000 0.436 752 A N 0.746 123.576 122.820 0.017 0.000 1.930 752 A HA -0.059 4.261 4.320 0.001 0.000 0.215 752 A C 2.096 179.669 177.584 -0.018 0.000 1.176 752 A CA 0.876 52.911 52.037 -0.002 0.000 0.632 752 A CB -0.313 18.678 19.000 -0.014 0.000 0.819 752 A HN 0.155 nan 8.150 nan 0.000 0.445 753 I N -1.840 118.722 120.570 -0.013 0.000 2.179 753 I HA -0.275 3.896 4.170 0.001 0.000 0.242 753 I C 2.462 178.567 176.117 -0.020 0.000 1.088 753 I CA 1.774 63.057 61.300 -0.028 0.000 1.357 753 I CB -0.374 37.614 38.000 -0.018 0.000 1.051 753 I HN 0.526 nan 8.210 nan 0.000 0.409 754 Y N 2.070 122.318 120.300 -0.087 0.000 2.224 754 Y HA -0.257 4.293 4.550 0.001 0.000 0.289 754 Y C 2.351 178.171 175.900 -0.133 0.000 1.146 754 Y CA 1.598 59.633 58.100 -0.109 0.000 1.182 754 Y CB -0.357 38.054 38.460 -0.082 0.000 0.983 754 Y HN 0.183 nan 8.280 nan 0.000 0.524 755 N N 0.586 119.204 118.700 -0.137 0.000 2.166 755 N HA -0.181 4.559 4.740 0.001 0.000 0.186 755 N C 1.329 176.683 175.510 -0.260 0.000 1.019 755 N CA 1.454 54.387 53.050 -0.196 0.000 0.856 755 N CB -0.519 37.935 38.487 -0.055 0.000 0.993 755 N HN 0.419 nan 8.380 nan 0.000 0.426 756 N N 0.658 119.234 118.700 -0.207 0.000 2.120 756 N HA -0.027 4.713 4.740 0.001 0.000 0.188 756 N C 1.748 177.002 175.510 -0.427 0.000 1.024 756 N CA 0.774 53.713 53.050 -0.185 0.000 0.852 756 N CB -0.265 38.179 38.487 -0.071 0.000 1.003 756 N HN 0.324 nan 8.380 nan 0.000 0.424 757 M N 0.767 119.981 119.600 -0.644 0.000 2.108 757 M HA -0.141 4.340 4.480 0.001 0.000 0.261 757 M C 1.842 177.408 176.300 -1.224 0.000 1.066 757 M CA 1.320 55.813 55.300 -1.344 0.000 1.107 757 M CB -0.298 31.830 32.600 -0.786 0.000 1.356 757 M HN 0.110 nan 8.290 nan 0.000 0.406 758 K N 0.017 119.895 120.400 -0.871 0.000 2.044 758 K HA -0.202 4.119 4.320 0.001 0.000 0.210 758 K C 2.098 178.474 176.600 -0.374 0.000 1.049 758 K CA 1.375 57.304 56.287 -0.597 0.000 0.927 758 K CB -0.219 31.986 32.500 -0.491 0.000 0.713 758 K HN 0.352 nan 8.250 nan 0.000 0.443 759 Q N 0.048 119.667 119.800 -0.302 0.000 2.050 759 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 759 Q C 2.073 178.061 176.000 -0.020 0.000 0.980 759 Q CA 1.599 57.336 55.803 -0.110 0.000 0.840 759 Q CB -0.445 28.258 28.738 -0.059 0.000 0.898 759 Q HN 0.499 nan 8.270 nan 0.000 0.424 760 F N -1.066 118.867 119.950 -0.028 0.000 2.367 760 F HA 0.098 4.625 4.527 0.001 0.000 0.298 760 F C 1.891 177.702 175.800 0.017 0.000 1.094 760 F CA 0.128 58.154 58.000 0.044 0.000 1.409 760 F CB -0.879 38.139 39.000 0.029 0.000 1.064 760 F HN -0.091 nan 8.300 nan 0.000 0.528 761 I N 1.106 121.601 120.570 -0.124 0.000 2.202 761 I HA -0.229 3.941 4.170 0.001 0.000 0.242 761 I C 2.661 178.711 176.117 -0.112 0.000 1.091 761 I CA 1.307 62.549 61.300 -0.096 0.000 1.368 761 I CB -0.465 37.384 38.000 -0.252 0.000 1.058 761 I HN 0.039 nan 8.210 nan 0.000 0.410 762 R N -0.249 120.190 120.500 -0.103 0.000 2.091 762 R HA -0.236 4.105 4.340 0.001 0.000 0.238 762 R C 2.394 178.567 176.300 -0.211 0.000 1.136 762 R CA 1.824 57.857 56.100 -0.112 0.000 0.959 762 R CB -0.880 29.469 30.300 0.082 0.000 0.856 762 R HN 0.385 nan 8.270 nan 0.000 0.437 763 Y N 1.825 122.031 120.300 -0.157 0.000 2.145 763 Y HA -0.145 4.405 4.550 0.001 0.000 0.286 763 Y C 2.004 177.821 175.900 -0.139 0.000 1.145 763 Y CA 1.324 59.342 58.100 -0.136 0.000 1.148 763 Y CB -0.375 38.075 38.460 -0.017 0.000 0.981 763 Y HN -0.086 nan 8.280 nan 0.000 0.507 764 L N -0.578 120.477 121.223 -0.280 0.000 2.072 764 L HA -0.172 4.169 4.340 0.001 0.000 0.205 764 L C 2.469 179.154 176.870 -0.308 0.000 1.079 764 L CA 1.292 55.910 54.840 -0.370 0.000 0.752 764 L CB -0.434 41.544 42.059 -0.134 0.000 0.906 764 L HN 0.244 nan 8.230 nan 0.000 0.436 765 I N -1.012 119.393 120.570 -0.274 0.000 2.353 765 I HA -0.271 3.900 4.170 0.001 0.000 0.248 765 I C 2.818 178.772 176.117 -0.272 0.000 1.119 765 I CA 1.022 62.170 61.300 -0.253 0.000 1.417 765 I CB -0.132 37.666 38.000 -0.337 0.000 1.078 765 I HN 0.235 nan 8.210 nan 0.000 0.421 766 S N 0.769 116.209 115.700 -0.433 0.000 2.372 766 S HA -0.275 4.196 4.470 0.001 0.000 0.227 766 S C 2.303 176.726 174.600 -0.295 0.000 1.044 766 S CA 2.385 60.279 58.200 -0.510 0.000 1.050 766 S CB -0.449 62.252 63.200 -0.831 0.000 0.901 766 S HN 0.612 nan 8.310 nan 0.000 0.447 767 S N 0.927 116.444 115.700 -0.305 0.000 2.402 767 S HA -0.069 4.402 4.470 0.001 0.000 0.229 767 S C 1.591 176.113 174.600 -0.131 0.000 1.021 767 S CA 1.415 59.485 58.200 -0.217 0.000 0.974 767 S CB -1.007 62.013 63.200 -0.300 0.000 0.800 767 S HN 0.738 nan 8.310 nan 0.000 0.484 768 N N 1.180 119.808 118.700 -0.120 0.000 2.188 768 N HA -0.002 4.738 4.740 0.001 0.000 0.184 768 N C 1.623 177.116 175.510 -0.028 0.000 1.018 768 N CA 1.272 54.295 53.050 -0.045 0.000 0.858 768 N CB -0.386 38.104 38.487 0.006 0.000 0.989 768 N HN 0.244 nan 8.380 nan 0.000 0.426 769 V N 0.590 120.472 119.914 -0.052 0.000 2.261 769 V HA -0.187 3.934 4.120 0.001 0.000 0.246 769 V C 2.437 178.511 176.094 -0.033 0.000 1.047 769 V CA 2.155 64.426 62.300 -0.048 0.000 1.015 769 V CB -1.335 30.439 31.823 -0.082 0.000 0.642 769 V HN 0.437 nan 8.190 nan 0.000 0.446 770 G N -0.614 108.162 108.800 -0.041 0.000 2.469 770 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 770 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 770 G C 1.479 176.381 174.900 0.004 0.000 1.150 770 G CA 1.117 46.209 45.100 -0.012 0.000 0.763 770 G HN 0.595 nan 8.290 nan 0.000 0.561 771 E N -0.297 119.901 120.200 -0.003 0.000 2.047 771 E HA -0.049 4.301 4.350 0.001 0.000 0.191 771 E C 2.763 179.381 176.600 0.031 0.000 0.987 771 E CA 0.795 57.203 56.400 0.014 0.000 0.799 771 E CB -0.154 29.552 29.700 0.010 0.000 0.752 771 E HN 0.273 nan 8.360 nan 0.000 0.449 772 V N 1.119 121.049 119.914 0.026 0.000 2.332 772 V HA -0.248 3.873 4.120 0.001 0.000 0.248 772 V C 2.358 178.502 176.094 0.084 0.000 1.055 772 V CA 1.360 63.686 62.300 0.042 0.000 1.038 772 V CB -0.335 31.497 31.823 0.015 0.000 0.651 772 V HN 0.142 nan 8.190 nan 0.000 0.450 773 V N -0.807 119.148 119.914 0.069 0.000 2.332 773 V HA -0.354 3.766 4.120 0.001 0.000 0.248 773 V C 2.574 178.752 176.094 0.140 0.000 1.055 773 V CA 2.256 64.627 62.300 0.119 0.000 1.038 773 V CB -0.896 30.971 31.823 0.073 0.000 0.651 773 V HN 0.812 nan 8.190 nan 0.000 0.450 774 C N 0.453 119.802 119.300 0.082 0.000 2.393 774 C HA -0.193 4.268 4.460 0.001 0.000 0.276 774 C C 2.590 177.619 174.990 0.065 0.000 1.215 774 C CA 1.298 60.353 59.018 0.063 0.000 1.743 774 C CB -1.037 26.729 27.740 0.044 0.000 2.044 774 C HN 0.530 nan 8.230 nan 0.000 0.464 775 I N 0.535 121.147 120.570 0.070 0.000 2.286 775 I HA -0.085 4.085 4.170 0.001 0.000 0.248 775 I C 2.300 178.450 176.117 0.054 0.000 1.115 775 I CA 1.672 63.001 61.300 0.048 0.000 1.392 775 I CB -1.923 36.103 38.000 0.044 0.000 1.065 775 I HN 0.448 nan 8.210 nan 0.000 0.418 776 F N 1.416 121.353 119.950 -0.022 0.000 2.206 776 F HA -0.072 4.456 4.527 0.001 0.000 0.298 776 F C 2.332 178.125 175.800 -0.011 0.000 1.090 776 F CA 1.202 59.186 58.000 -0.025 0.000 1.323 776 F CB -0.245 38.745 39.000 -0.017 0.000 1.028 776 F HN -0.121 nan 8.300 nan 0.000 0.492 777 L N -0.430 120.775 121.223 -0.030 0.000 2.012 777 L HA -0.259 4.082 4.340 0.001 0.000 0.210 777 L C 2.580 179.362 176.870 -0.147 0.000 1.073 777 L CA 2.028 56.801 54.840 -0.112 0.000 0.748 777 L CB -1.106 40.968 42.059 0.025 0.000 0.891 777 L HN 0.201 nan 8.230 nan 0.000 0.431 778 T N -0.765 113.746 114.554 -0.070 0.000 2.746 778 T HA -0.164 4.186 4.350 0.001 0.000 0.267 778 T C 1.708 176.381 174.700 -0.044 0.000 1.039 778 T CA 1.477 63.565 62.100 -0.020 0.000 1.142 778 T CB 0.003 68.888 68.868 0.029 0.000 0.866 778 T HN 0.460 nan 8.240 nan 0.000 0.444 779 A N 0.199 122.927 122.820 -0.154 0.000 2.067 779 A HA 0.473 4.793 4.320 0.001 0.000 0.217 779 A C 2.483 179.926 177.584 -0.236 0.000 1.156 779 A CA 1.413 53.342 52.037 -0.180 0.000 0.683 779 A CB -0.669 18.160 19.000 -0.284 0.000 0.808 779 A HN 0.546 nan 8.150 nan 0.000 0.455 780 A N -0.090 122.490 122.820 -0.401 0.000 1.872 780 A HA 0.104 4.425 4.320 0.001 0.000 0.214 780 A C 1.827 179.297 177.584 -0.191 0.000 1.187 780 A CA 1.215 53.006 52.037 -0.410 0.000 0.614 780 A CB -0.415 18.195 19.000 -0.649 0.000 0.826 780 A HN 0.427 nan 8.150 nan 0.000 0.442 781 L N -0.749 120.395 121.223 -0.133 0.000 2.592 781 L HA 0.219 4.559 4.340 0.001 0.000 0.227 781 L C 1.463 178.314 176.870 -0.032 0.000 1.127 781 L CA 0.380 55.180 54.840 -0.066 0.000 0.884 781 L CB -0.331 41.704 42.059 -0.040 0.000 1.065 781 L HN 0.573 nan 8.230 nan 0.000 0.457 782 G N 1.180 109.979 108.800 -0.002 0.000 2.249 782 G HA2 -0.290 3.671 3.960 0.001 0.000 0.273 782 G HA3 -0.290 3.671 3.960 0.001 0.000 0.273 782 G C 0.087 175.001 174.900 0.025 0.000 1.036 782 G CA 0.093 45.210 45.100 0.028 0.000 0.824 782 G HN 0.259 nan 8.290 nan 0.000 0.504 783 L N 0.185 121.453 121.223 0.075 0.000 2.439 783 L HA 0.501 4.841 4.340 0.001 0.000 0.261 783 L C -1.536 175.424 176.870 0.150 0.000 1.153 783 L CA -2.294 52.590 54.840 0.074 0.000 0.808 783 L CB 0.663 42.769 42.059 0.078 0.000 1.126 783 L HN -0.087 nan 8.230 nan 0.000 0.460 784 P HA 0.046 nan 4.420 nan 0.000 0.271 784 P C -1.014 176.420 177.300 0.224 0.000 1.218 784 P CA -0.388 62.832 63.100 0.200 0.000 0.780 784 P CB 0.301 32.108 31.700 0.179 0.000 0.901 785 E N 1.274 121.607 120.200 0.222 0.000 2.585 785 E HA -0.032 4.318 4.350 0.001 0.000 0.252 785 E C 0.971 177.663 176.600 0.153 0.000 0.981 785 E CA 0.110 56.603 56.400 0.154 0.000 0.943 785 E CB 0.386 30.160 29.700 0.125 0.000 0.923 785 E HN 0.451 nan 8.360 nan 0.000 0.486 786 A N 4.898 127.792 122.820 0.123 0.000 1.930 786 A HA 0.035 4.355 4.320 0.001 0.000 0.215 786 A C 0.758 178.382 177.584 0.067 0.000 1.176 786 A CA 0.772 52.872 52.037 0.105 0.000 0.632 786 A CB 0.239 19.293 19.000 0.091 0.000 0.819 786 A HN 0.505 nan 8.150 nan 0.000 0.445 787 L N -0.005 121.257 121.223 0.066 0.000 2.422 787 L HA 0.572 4.912 4.340 0.001 0.000 0.264 787 L C -0.717 176.195 176.870 0.071 0.000 0.984 787 L CA -0.860 54.017 54.840 0.062 0.000 0.819 787 L CB 2.182 44.276 42.059 0.058 0.000 1.330 787 L HN 0.427 nan 8.230 nan 0.000 0.410 788 I N -1.243 119.377 120.570 0.082 0.000 2.750 788 I HA 0.567 4.738 4.170 0.001 0.000 0.308 788 I C -2.141 174.039 176.117 0.105 0.000 1.016 788 I CA -2.254 59.097 61.300 0.086 0.000 1.098 788 I CB 1.698 39.747 38.000 0.081 0.000 1.279 788 I HN 0.283 nan 8.210 nan 0.000 0.454 789 P HA -0.185 nan 4.420 nan 0.000 0.216 789 P C 1.810 179.201 177.300 0.151 0.000 1.157 789 P CA 1.334 64.499 63.100 0.108 0.000 0.880 789 P CB 0.012 31.768 31.700 0.094 0.000 0.791 790 V N -0.562 119.444 119.914 0.153 0.000 2.324 790 V HA -0.323 3.797 4.120 0.001 0.000 0.250 790 V C 2.507 178.844 176.094 0.404 0.000 1.060 790 V CA 2.003 64.427 62.300 0.207 0.000 1.042 790 V CB -1.417 30.443 31.823 0.060 0.000 0.650 790 V HN 0.187 nan 8.190 nan 0.000 0.450 791 Q N -0.373 119.639 119.800 0.353 0.000 2.020 791 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 791 Q C 2.324 178.485 176.000 0.268 0.000 0.982 791 Q CA 1.825 57.819 55.803 0.319 0.000 0.838 791 Q CB -0.348 28.501 28.738 0.185 0.000 0.899 791 Q HN 0.540 nan 8.270 nan 0.000 0.423 792 L N 0.302 121.641 121.223 0.194 0.000 2.042 792 L HA -0.241 4.100 4.340 0.001 0.000 0.210 792 L C 2.356 179.325 176.870 0.165 0.000 1.076 792 L CA 0.999 55.927 54.840 0.146 0.000 0.749 792 L CB -0.454 41.669 42.059 0.106 0.000 0.893 792 L HN 0.281 nan 8.230 nan 0.000 0.432 793 L N -1.262 120.086 121.223 0.209 0.000 2.046 793 L HA -0.272 4.068 4.340 0.001 0.000 0.208 793 L C 2.487 179.513 176.870 0.261 0.000 1.077 793 L CA 1.425 56.391 54.840 0.210 0.000 0.747 793 L CB -0.553 41.639 42.059 0.223 0.000 0.896 793 L HN 0.555 nan 8.230 nan 0.000 0.432 794 W N 0.133 121.540 121.300 0.178 0.000 2.388 794 W HA -0.160 4.501 4.660 0.001 0.000 0.294 794 W C 2.060 178.614 176.519 0.058 0.000 1.212 794 W CA 1.434 58.859 57.345 0.134 0.000 1.271 794 W CB -0.060 29.437 29.460 0.062 0.000 1.126 794 W HN -0.060 nan 8.180 nan 0.000 0.535 795 V N 1.911 121.945 119.914 0.200 0.000 2.358 795 V HA -0.331 3.790 4.120 0.001 0.000 0.246 795 V C 2.031 178.111 176.094 -0.023 0.000 1.047 795 V CA 2.197 64.542 62.300 0.076 0.000 1.035 795 V CB -0.907 30.979 31.823 0.104 0.000 0.658 795 V HN 0.123 nan 8.190 nan 0.000 0.452 796 N N -0.381 118.319 118.700 -0.000 0.000 2.354 796 N HA -0.020 4.720 4.740 0.001 0.000 0.179 796 N C 1.406 176.881 175.510 -0.057 0.000 1.021 796 N CA 0.824 53.856 53.050 -0.030 0.000 0.887 796 N CB -0.060 38.429 38.487 0.003 0.000 0.974 796 N HN 0.277 nan 8.380 nan 0.000 0.437 797 L N -0.588 120.587 121.223 -0.080 0.000 2.221 797 L HA 0.156 4.496 4.340 0.001 0.000 0.202 797 L C 1.830 178.571 176.870 -0.216 0.000 1.074 797 L CA 0.739 55.510 54.840 -0.114 0.000 0.795 797 L CB -0.309 41.702 42.059 -0.080 0.000 0.960 797 L HN -0.110 nan 8.230 nan 0.000 0.458 798 V N -2.293 117.392 119.914 -0.382 0.000 2.939 798 V HA -0.024 4.097 4.120 0.001 0.000 0.228 798 V C 2.182 178.086 176.094 -0.317 0.000 1.162 798 V CA 1.266 63.258 62.300 -0.514 0.000 1.222 798 V CB -0.497 30.628 31.823 -1.164 0.000 1.053 798 V HN 0.244 nan 8.190 nan 0.000 0.504 799 T N 0.798 115.171 114.554 -0.302 0.000 2.653 799 T HA -0.235 4.116 4.350 0.001 0.000 0.268 799 T C 1.399 176.101 174.700 0.004 0.000 1.035 799 T CA 2.227 64.290 62.100 -0.062 0.000 1.154 799 T CB -0.352 68.550 68.868 0.056 0.000 0.862 799 T HN 0.420 nan 8.240 nan 0.000 0.441 800 D N 0.244 120.641 120.400 -0.005 0.000 2.333 800 D HA 0.159 4.799 4.640 0.001 0.000 0.208 800 D C 2.253 178.606 176.300 0.088 0.000 0.984 800 D CA 0.516 54.563 54.000 0.079 0.000 0.873 800 D CB -0.669 40.095 40.800 -0.060 0.000 0.935 800 D HN 0.462 nan 8.370 nan 0.000 0.521 801 G N 0.943 109.731 108.800 -0.021 0.000 2.422 801 G HA2 -0.181 3.779 3.960 0.001 0.000 0.218 801 G HA3 -0.181 3.779 3.960 0.001 0.000 0.218 801 G C 1.462 176.340 174.900 -0.036 0.000 1.146 801 G CA 0.324 45.394 45.100 -0.050 0.000 0.769 801 G HN 0.146 nan 8.290 nan 0.000 0.547 802 L N 1.348 122.559 121.223 -0.020 0.000 2.027 802 L HA 0.030 4.370 4.340 0.001 0.000 0.206 802 L C 0.206 177.088 176.870 0.020 0.000 1.074 802 L CA 1.559 56.397 54.840 -0.003 0.000 0.745 802 L CB -2.057 40.005 42.059 0.005 0.000 0.898 802 L HN 0.161 nan 8.230 nan 0.000 0.433 803 P HA -0.055 nan 4.420 nan 0.000 0.217 803 P C 1.663 178.945 177.300 -0.030 0.000 1.151 803 P CA 1.617 64.716 63.100 -0.001 0.000 0.828 803 P CB 0.001 31.685 31.700 -0.025 0.000 0.788 804 A N -0.421 122.454 122.820 0.092 0.000 1.892 804 A HA -0.223 4.097 4.320 0.001 0.000 0.218 804 A C 2.311 179.817 177.584 -0.130 0.000 1.188 804 A CA 2.689 54.778 52.037 0.087 0.000 0.631 804 A CB -2.016 17.044 19.000 0.100 0.000 0.822 804 A HN 0.167 nan 8.150 nan 0.000 0.447 805 T N -0.024 114.439 114.554 -0.152 0.000 2.821 805 T HA 0.033 4.384 4.350 0.001 0.000 0.267 805 T C 2.163 176.899 174.700 0.060 0.000 1.046 805 T CA 1.451 63.461 62.100 -0.151 0.000 1.139 805 T CB -0.387 68.427 68.868 -0.090 0.000 0.871 805 T HN 0.610 nan 8.240 nan 0.000 0.454 806 A N 0.985 123.856 122.820 0.086 0.000 1.969 806 A HA 0.075 4.396 4.320 0.001 0.000 0.218 806 A C 2.207 179.912 177.584 0.202 0.000 1.169 806 A CA 0.998 53.133 52.037 0.164 0.000 0.635 806 A CB -0.724 18.338 19.000 0.103 0.000 0.810 806 A HN 0.482 nan 8.150 nan 0.000 0.445 807 L N -0.639 120.657 121.223 0.122 0.000 2.201 807 L HA -0.092 4.249 4.340 0.001 0.000 0.212 807 L C 2.689 179.677 176.870 0.196 0.000 1.105 807 L CA 0.709 55.629 54.840 0.133 0.000 0.775 807 L CB -0.547 41.577 42.059 0.108 0.000 0.913 807 L HN 0.486 nan 8.230 nan 0.000 0.440 808 G N -0.275 108.666 108.800 0.235 0.000 2.485 808 G HA2 -0.272 3.688 3.960 0.001 0.000 0.221 808 G HA3 -0.272 3.688 3.960 0.001 0.000 0.221 808 G C 1.143 175.969 174.900 -0.124 0.000 1.115 808 G CA 0.471 45.638 45.100 0.111 0.000 0.751 808 G HN 0.349 nan 8.290 nan 0.000 0.567 809 F N 0.898 120.801 119.950 -0.079 0.000 2.692 809 F HA 0.269 4.796 4.527 0.001 0.000 0.303 809 F C 0.658 176.441 175.800 -0.028 0.000 1.114 809 F CA -0.914 57.008 58.000 -0.132 0.000 1.361 809 F CB -0.079 38.718 39.000 -0.337 0.000 1.063 809 F HN -0.126 nan 8.300 nan 0.000 0.550 810 N N 3.170 121.945 118.700 0.125 0.000 2.357 810 N HA -0.000 4.740 4.740 0.001 0.000 0.257 810 N C -2.347 173.202 175.510 0.064 0.000 1.250 810 N CA -1.065 52.036 53.050 0.085 0.000 0.862 810 N CB -0.033 38.477 38.487 0.038 0.000 1.066 810 N HN -0.038 nan 8.380 nan 0.000 0.468 811 P HA 0.071 nan 4.420 nan 0.000 0.265 811 P C -2.391 174.925 177.300 0.027 0.000 1.187 811 P CA -0.621 62.514 63.100 0.058 0.000 0.766 811 P CB -0.288 31.447 31.700 0.058 0.000 0.820 812 P HA 0.221 nan 4.420 nan 0.000 0.281 812 P C -0.501 176.803 177.300 0.007 0.000 1.249 812 P CA -0.293 62.810 63.100 0.006 0.000 0.810 812 P CB 0.591 32.293 31.700 0.003 0.000 1.008 813 D N 1.273 121.674 120.400 0.001 0.000 2.443 813 D HA 0.003 4.644 4.640 0.001 0.000 0.239 813 D C 1.560 177.862 176.300 0.004 0.000 1.136 813 D CA 0.033 54.033 54.000 0.001 0.000 0.879 813 D CB 0.885 41.684 40.800 -0.001 0.000 1.195 813 D HN 0.314 nan 8.370 nan 0.000 0.443 814 L N 1.179 122.404 121.223 0.004 0.000 2.191 814 L HA -0.161 4.180 4.340 0.001 0.000 0.212 814 L C 1.571 178.443 176.870 0.004 0.000 1.103 814 L CA 1.005 55.849 54.840 0.006 0.000 0.769 814 L CB -0.229 41.833 42.059 0.006 0.000 0.908 814 L HN 0.423 nan 8.230 nan 0.000 0.438 815 D N -0.753 119.649 120.400 0.002 0.000 2.491 815 D HA -0.025 4.616 4.640 0.001 0.000 0.228 815 D C 1.738 178.040 176.300 0.003 0.000 1.183 815 D CA -0.114 53.887 54.000 0.002 0.000 0.827 815 D CB 0.089 40.889 40.800 0.000 0.000 0.989 815 D HN 0.139 nan 8.370 nan 0.000 0.494 816 I N 0.306 120.879 120.570 0.004 0.000 2.194 816 I HA -0.204 3.967 4.170 0.001 0.000 0.246 816 I C 1.551 177.670 176.117 0.003 0.000 1.093 816 I CA 1.100 62.402 61.300 0.005 0.000 1.355 816 I CB -0.106 37.896 38.000 0.003 0.000 1.046 816 I HN 0.149 nan 8.210 nan 0.000 0.413 817 M N -0.503 119.098 119.600 0.002 0.000 2.493 817 M HA 0.080 4.561 4.480 0.001 0.000 0.244 817 M C 0.244 176.547 176.300 0.004 0.000 1.182 817 M CA 0.516 55.817 55.300 0.001 0.000 0.981 817 M CB -0.577 32.023 32.600 -0.000 0.000 1.551 817 M HN 0.035 nan 8.290 nan 0.000 0.476 818 D N 0.570 120.973 120.400 0.004 0.000 2.462 818 D HA 0.227 4.867 4.640 0.001 0.000 0.221 818 D C 0.234 176.537 176.300 0.004 0.000 1.173 818 D CA 0.170 54.173 54.000 0.005 0.000 0.831 818 D CB 1.090 41.892 40.800 0.004 0.000 1.001 818 D HN 0.266 nan 8.370 nan 0.000 0.499 819 R N 0.919 121.422 120.500 0.005 0.000 2.795 819 R HA 0.407 4.748 4.340 0.001 0.000 0.275 819 R C -2.522 173.781 176.300 0.005 0.000 0.981 819 R CA -1.626 54.477 56.100 0.005 0.000 0.917 819 R CB 2.340 32.644 30.300 0.007 0.000 1.202 819 R HN -0.121 nan 8.270 nan 0.000 0.469 820 P HA 0.100 nan 4.420 nan 0.000 0.271 820 P C -2.536 174.765 177.300 0.002 0.000 1.233 820 P CA -1.247 61.856 63.100 0.005 0.000 0.789 820 P CB -0.331 31.373 31.700 0.006 0.000 0.951 821 P HA 0.112 nan 4.420 nan 0.000 0.268 821 P C 0.196 177.488 177.300 -0.013 0.000 1.205 821 P CA 0.073 63.166 63.100 -0.011 0.000 0.771 821 P CB 0.272 31.964 31.700 -0.013 0.000 0.858 822 R N 2.632 123.116 120.500 -0.025 0.000 2.522 822 R HA 0.097 4.438 4.340 0.001 0.000 0.284 822 R C 0.200 176.479 176.300 -0.035 0.000 1.032 822 R CA 0.086 56.171 56.100 -0.025 0.000 1.049 822 R CB 0.139 30.410 30.300 -0.048 0.000 0.956 822 R HN 0.446 nan 8.270 nan 0.000 0.422 823 S N 4.610 120.302 115.700 -0.013 0.000 2.537 823 S HA 0.107 4.578 4.470 0.001 0.000 0.286 823 S C -1.601 172.982 174.600 -0.028 0.000 1.299 823 S CA -1.397 56.797 58.200 -0.010 0.000 1.067 823 S CB 1.010 64.215 63.200 0.008 0.000 0.864 823 S HN 0.568 nan 8.310 nan 0.000 0.494 824 P HA 0.008 nan 4.420 nan 0.000 0.221 824 P C 0.710 177.997 177.300 -0.021 0.000 1.150 824 P CA 0.886 63.957 63.100 -0.048 0.000 0.800 824 P CB 0.175 31.854 31.700 -0.035 0.000 0.787 825 K N -0.078 120.323 120.400 0.000 0.000 2.404 825 K HA 0.044 4.365 4.320 0.001 0.000 0.194 825 K C 0.616 177.235 176.600 0.032 0.000 1.023 825 K CA 0.042 56.339 56.287 0.018 0.000 1.094 825 K CB -0.082 32.431 32.500 0.021 0.000 0.841 825 K HN 0.361 nan 8.250 nan 0.000 0.523 826 E N 2.895 123.114 120.200 0.031 0.000 2.299 826 E HA 0.075 4.425 4.350 0.001 0.000 0.272 826 E C -2.351 174.294 176.600 0.074 0.000 1.043 826 E CA -1.878 54.552 56.400 0.051 0.000 0.895 826 E CB 0.642 30.372 29.700 0.051 0.000 1.011 826 E HN -0.109 nan 8.360 nan 0.000 0.432 827 P HA 0.021 nan 4.420 nan 0.000 0.271 827 P C 0.185 177.545 177.300 0.101 0.000 1.218 827 P CA -0.177 62.980 63.100 0.096 0.000 0.780 827 P CB 0.722 32.486 31.700 0.107 0.000 0.901 828 L N 1.818 123.097 121.223 0.094 0.000 2.156 828 L HA 0.053 4.393 4.340 0.001 0.000 0.208 828 L C 0.852 177.772 176.870 0.085 0.000 1.095 828 L CA 1.523 56.403 54.840 0.067 0.000 0.770 828 L CB -0.323 41.744 42.059 0.014 0.000 0.914 828 L HN 0.348 nan 8.230 nan 0.000 0.439 829 I N -0.991 119.650 120.570 0.119 0.000 2.534 829 I HA 0.403 4.574 4.170 0.001 0.000 0.288 829 I C -0.612 175.642 176.117 0.229 0.000 1.077 829 I CA -0.185 61.213 61.300 0.163 0.000 1.051 829 I CB 1.915 40.017 38.000 0.171 0.000 1.234 829 I HN -0.035 nan 8.210 nan 0.000 0.425 830 S N 3.167 119.007 115.700 0.233 0.000 2.611 830 S HA 0.870 5.341 4.470 0.001 0.000 0.268 830 S C 0.039 174.772 174.600 0.222 0.000 1.156 830 S CA -0.287 58.064 58.200 0.252 0.000 0.817 830 S CB 1.329 64.622 63.200 0.156 0.000 1.122 830 S HN 1.392 nan 8.310 nan 0.000 0.466 831 G N 1.835 110.729 108.800 0.157 0.000 2.651 831 G HA2 -0.386 3.575 3.960 0.001 0.000 0.315 831 G HA3 -0.386 3.575 3.960 0.001 0.000 0.315 831 G C 0.884 175.932 174.900 0.246 0.000 1.258 831 G CA 0.707 45.898 45.100 0.152 0.000 1.002 831 G HN 1.337 nan 8.290 nan 0.000 0.551 832 W N 0.118 121.474 121.300 0.093 0.000 2.342 832 W HA -0.073 4.588 4.660 0.001 0.000 0.297 832 W C 2.401 179.007 176.519 0.146 0.000 1.213 832 W CA 2.158 59.580 57.345 0.127 0.000 1.251 832 W CB -0.300 29.204 29.460 0.073 0.000 1.136 832 W HN 0.436 nan 8.180 nan 0.000 0.526 833 L N 0.760 122.036 121.223 0.088 0.000 2.017 833 L HA -0.187 4.153 4.340 0.001 0.000 0.208 833 L C 2.439 179.178 176.870 -0.218 0.000 1.073 833 L CA 2.004 56.747 54.840 -0.162 0.000 0.745 833 L CB -1.819 40.193 42.059 -0.077 0.000 0.894 833 L HN -0.018 nan 8.230 nan 0.000 0.432 834 F N -0.507 119.381 119.950 -0.104 0.000 2.043 834 F HA -0.365 4.163 4.527 0.001 0.000 0.297 834 F C 2.398 178.153 175.800 -0.076 0.000 1.118 834 F CA 2.225 60.212 58.000 -0.022 0.000 1.202 834 F CB -0.849 38.180 39.000 0.047 0.000 0.965 834 F HN 0.220 nan 8.300 nan 0.000 0.482 835 F N 1.061 121.049 119.950 0.064 0.000 2.091 835 F HA -0.222 4.305 4.527 0.001 0.000 0.299 835 F C 2.556 178.135 175.800 -0.369 0.000 1.103 835 F CA 2.051 59.941 58.000 -0.182 0.000 1.228 835 F CB -0.680 38.061 39.000 -0.431 0.000 0.984 835 F HN -0.132 nan 8.300 nan 0.000 0.477 836 R N -1.179 118.950 120.500 -0.617 0.000 2.094 836 R HA -0.235 4.105 4.340 0.001 0.000 0.239 836 R C 2.147 178.223 176.300 -0.373 0.000 1.137 836 R CA 2.137 57.874 56.100 -0.605 0.000 0.943 836 R CB -0.802 29.145 30.300 -0.588 0.000 0.850 836 R HN 0.326 nan 8.270 nan 0.000 0.433 837 Y N -0.256 119.893 120.300 -0.252 0.000 2.439 837 Y HA -0.064 4.487 4.550 0.001 0.000 0.292 837 Y C 2.128 177.881 175.900 -0.245 0.000 1.130 837 Y CA 0.481 58.450 58.100 -0.218 0.000 1.254 837 Y CB -0.447 37.891 38.460 -0.204 0.000 1.000 837 Y HN 0.052 nan 8.280 nan 0.000 0.554 838 M N 0.132 119.638 119.600 -0.156 0.000 2.065 838 M HA -0.211 4.270 4.480 0.001 0.000 0.259 838 M C 2.377 178.564 176.300 -0.189 0.000 1.071 838 M CA 2.241 57.442 55.300 -0.164 0.000 1.109 838 M CB -0.423 32.099 32.600 -0.131 0.000 1.313 838 M HN 0.169 nan 8.290 nan 0.000 0.408 839 A N 0.150 122.755 122.820 -0.357 0.000 1.873 839 A HA -0.110 4.211 4.320 0.001 0.000 0.215 839 A C 2.017 179.546 177.584 -0.092 0.000 1.186 839 A CA 1.631 53.490 52.037 -0.297 0.000 0.616 839 A CB -0.988 17.709 19.000 -0.504 0.000 0.823 839 A HN 0.561 nan 8.150 nan 0.000 0.442 840 I N 0.193 120.725 120.570 -0.064 0.000 2.163 840 I HA -0.221 3.949 4.170 0.001 0.000 0.243 840 I C 2.724 178.889 176.117 0.079 0.000 1.085 840 I CA 1.647 62.971 61.300 0.040 0.000 1.347 840 I CB -2.072 35.980 38.000 0.087 0.000 1.044 840 I HN 0.358 nan 8.210 nan 0.000 0.408 841 G N 0.880 109.694 108.800 0.024 0.000 2.476 841 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 841 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 841 G C 1.748 176.670 174.900 0.036 0.000 1.164 841 G CA 1.056 46.163 45.100 0.011 0.000 0.768 841 G HN 0.493 nan 8.290 nan 0.000 0.560 842 G N -0.442 108.378 108.800 0.034 0.000 2.402 842 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 842 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 842 G C 1.616 176.560 174.900 0.074 0.000 1.162 842 G CA 1.077 46.206 45.100 0.048 0.000 0.777 842 G HN 0.433 nan 8.290 nan 0.000 0.539 843 Y N 1.211 121.503 120.300 -0.013 0.000 2.070 843 Y HA -0.186 4.365 4.550 0.001 0.000 0.280 843 Y C 2.928 178.833 175.900 0.009 0.000 1.148 843 Y CA 1.949 60.049 58.100 -0.000 0.000 1.125 843 Y CB -0.443 38.013 38.460 -0.007 0.000 0.975 843 Y HN 0.030 nan 8.280 nan 0.000 0.492 844 V N 0.174 120.178 119.914 0.150 0.000 2.392 844 V HA -0.316 3.804 4.120 0.001 0.000 0.249 844 V C 2.565 178.649 176.094 -0.017 0.000 1.059 844 V CA 1.952 64.290 62.300 0.062 0.000 1.051 844 V CB -1.596 30.279 31.823 0.087 0.000 0.658 844 V HN 0.677 nan 8.190 nan 0.000 0.455 845 G N -0.498 108.303 108.800 0.002 0.000 2.421 845 G HA2 -0.211 3.750 3.960 0.001 0.000 0.216 845 G HA3 -0.211 3.750 3.960 0.001 0.000 0.216 845 G C 1.768 176.657 174.900 -0.017 0.000 1.171 845 G CA 1.046 46.153 45.100 0.012 0.000 0.775 845 G HN 0.615 nan 8.290 nan 0.000 0.543 846 A N 1.065 123.848 122.820 -0.060 0.000 1.898 846 A HA 0.325 4.646 4.320 0.001 0.000 0.216 846 A C 2.805 180.305 177.584 -0.141 0.000 1.181 846 A CA 2.166 54.151 52.037 -0.087 0.000 0.620 846 A CB -0.743 18.189 19.000 -0.114 0.000 0.819 846 A HN 0.767 nan 8.150 nan 0.000 0.442 847 A N -0.161 122.505 122.820 -0.257 0.000 1.902 847 A HA -0.091 4.230 4.320 0.001 0.000 0.217 847 A C 2.442 179.962 177.584 -0.106 0.000 1.181 847 A CA 2.526 54.410 52.037 -0.255 0.000 0.623 847 A CB -1.341 17.443 19.000 -0.359 0.000 0.818 847 A HN 0.688 nan 8.150 nan 0.000 0.443 848 T N -2.415 112.103 114.554 -0.060 0.000 2.770 848 T HA -0.094 4.257 4.350 0.001 0.000 0.263 848 T C 1.726 176.438 174.700 0.020 0.000 1.039 848 T CA 1.405 63.496 62.100 -0.015 0.000 1.142 848 T CB -0.925 67.944 68.868 0.001 0.000 0.868 848 T HN 0.048 nan 8.240 nan 0.000 0.435 849 V N 2.258 122.189 119.914 0.028 0.000 2.332 849 V HA -0.067 4.054 4.120 0.001 0.000 0.248 849 V C 3.069 179.219 176.094 0.094 0.000 1.055 849 V CA 1.929 64.268 62.300 0.065 0.000 1.038 849 V CB -1.588 30.266 31.823 0.052 0.000 0.651 849 V HN 0.708 nan 8.190 nan 0.000 0.450 850 G N -0.267 108.570 108.800 0.061 0.000 2.514 850 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 850 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 850 G C 1.797 176.793 174.900 0.161 0.000 1.198 850 G CA 1.275 46.430 45.100 0.092 0.000 0.780 850 G HN 0.631 nan 8.290 nan 0.000 0.565 851 A N 1.054 123.930 122.820 0.094 0.000 1.908 851 A HA 0.202 4.522 4.320 0.001 0.000 0.218 851 A C 2.838 180.572 177.584 0.251 0.000 1.181 851 A CA 2.550 54.664 52.037 0.129 0.000 0.627 851 A CB -0.848 18.153 19.000 0.001 0.000 0.818 851 A HN 0.903 nan 8.150 nan 0.000 0.445 852 A N -0.244 122.680 122.820 0.174 0.000 1.877 852 A HA 0.183 4.503 4.320 0.001 0.000 0.216 852 A C 2.506 180.289 177.584 0.331 0.000 1.186 852 A CA 2.092 54.235 52.037 0.177 0.000 0.620 852 A CB -1.041 18.064 19.000 0.175 0.000 0.822 852 A HN 1.106 nan 8.150 nan 0.000 0.443 853 A N -1.831 121.197 122.820 0.348 0.000 2.015 853 A HA -0.114 4.206 4.320 0.001 0.000 0.219 853 A C 1.944 179.711 177.584 0.306 0.000 1.163 853 A CA 1.419 53.667 52.037 0.352 0.000 0.646 853 A CB -0.814 18.326 19.000 0.233 0.000 0.806 853 A HN 0.893 nan 8.150 nan 0.000 0.448 854 W N -0.954 120.439 121.300 0.154 0.000 2.388 854 W HA -0.121 4.540 4.660 0.001 0.000 0.294 854 W C 1.896 178.476 176.519 0.102 0.000 1.212 854 W CA 1.478 58.917 57.345 0.157 0.000 1.271 854 W CB -0.373 29.170 29.460 0.138 0.000 1.126 854 W HN 0.468 nan 8.180 nan 0.000 0.535 855 W N 0.135 121.408 121.300 -0.045 0.000 2.379 855 W HA -0.150 4.510 4.660 0.001 0.000 0.307 855 W C 1.981 178.212 176.519 -0.479 0.000 1.200 855 W CA 2.175 59.260 57.345 -0.434 0.000 1.297 855 W CB -1.035 28.252 29.460 -0.289 0.000 1.140 855 W HN -0.132 nan 8.180 nan 0.000 0.507 856 F N 0.231 120.144 119.950 -0.062 0.000 2.161 856 F HA -0.271 4.256 4.527 0.001 0.000 0.300 856 F C 2.260 177.725 175.800 -0.559 0.000 1.089 856 F CA 1.958 59.769 58.000 -0.314 0.000 1.282 856 F CB -0.774 38.151 39.000 -0.125 0.000 1.010 856 F HN -0.087 nan 8.300 nan 0.000 0.485 857 M N -2.279 117.093 119.600 -0.380 0.000 2.348 857 M HA 0.004 4.484 4.480 0.001 0.000 0.206 857 M C 1.788 177.627 176.300 -0.770 0.000 1.286 857 M CA 0.889 55.810 55.300 -0.633 0.000 1.229 857 M CB -1.048 31.064 32.600 -0.814 0.000 1.052 857 M HN -0.121 nan 8.290 nan 0.000 0.466 858 Y N 0.918 120.876 120.300 -0.570 0.000 2.632 858 Y HA 0.271 4.821 4.550 0.001 0.000 0.301 858 Y C 1.214 176.667 175.900 -0.745 0.000 1.172 858 Y CA -0.321 57.449 58.100 -0.551 0.000 1.328 858 Y CB -0.751 37.508 38.460 -0.335 0.000 1.016 858 Y HN 0.209 nan 8.280 nan 0.000 0.529 859 A N 0.766 122.959 122.820 -1.045 0.000 2.363 859 A HA 0.254 4.574 4.320 0.001 0.000 0.270 859 A C 0.585 177.785 177.584 -0.640 0.000 1.121 859 A CA -0.595 50.816 52.037 -1.043 0.000 0.800 859 A CB 0.339 18.470 19.000 -1.448 0.000 1.052 859 A HN 0.437 nan 8.150 nan 0.000 0.493 860 E N 1.196 121.174 120.200 -0.370 0.000 2.479 860 E HA 0.042 4.393 4.350 0.001 0.000 0.193 860 E C -0.119 176.349 176.600 -0.220 0.000 1.049 860 E CA 0.347 56.599 56.400 -0.247 0.000 0.870 860 E CB 0.239 29.868 29.700 -0.119 0.000 0.944 860 E HN 0.613 nan 8.360 nan 0.000 0.492 861 D N 0.458 120.702 120.400 -0.260 0.000 2.327 861 D HA 0.091 4.732 4.640 0.001 0.000 0.205 861 D C 0.896 177.025 176.300 -0.285 0.000 0.989 861 D CA 0.705 54.620 54.000 -0.141 0.000 0.873 861 D CB 0.246 41.089 40.800 0.072 0.000 0.955 861 D HN 0.238 nan 8.370 nan 0.000 0.515 862 G N 0.584 108.924 108.800 -0.767 0.000 2.667 862 G HA2 0.472 4.433 3.960 0.001 0.000 0.310 862 G HA3 0.472 4.433 3.960 0.001 0.000 0.310 862 G C -2.646 171.798 174.900 -0.760 0.000 1.259 862 G CA -1.288 43.116 45.100 -1.159 0.000 1.019 862 G HN -0.195 nan 8.290 nan 0.000 0.496 863 P HA 0.160 nan 4.420 nan 0.000 0.263 863 P C 0.796 177.821 177.300 -0.458 0.000 1.601 863 P CA -0.135 62.709 63.100 -0.427 0.000 1.161 863 P CB 0.297 31.791 31.700 -0.345 0.000 1.730 864 G N 3.230 111.777 108.800 -0.421 0.000 2.615 864 G HA2 0.016 3.977 3.960 0.001 0.000 0.273 864 G HA3 0.016 3.977 3.960 0.001 0.000 0.273 864 G C 0.618 175.313 174.900 -0.341 0.000 0.657 864 G CA -0.298 44.564 45.100 -0.396 0.000 2.071 864 G HN 0.506 nan 8.290 nan 0.000 0.562 865 V N 0.778 120.464 119.914 -0.380 0.000 2.008 865 V HA 0.340 4.461 4.120 0.001 0.000 0.262 865 V C 0.886 176.833 176.094 -0.246 0.000 1.580 865 V CA -0.350 61.776 62.300 -0.289 0.000 1.515 865 V CB -1.026 30.513 31.823 -0.473 0.000 1.474 865 V HN 0.417 nan 8.190 nan 0.000 0.504 866 T N 0.482 114.853 114.554 -0.305 0.000 2.769 866 T HA 0.300 4.650 4.350 0.001 0.000 0.293 866 T C 0.256 174.844 174.700 -0.188 0.000 0.931 866 T CA 0.116 61.905 62.100 -0.519 0.000 1.139 866 T CB -0.253 68.371 68.868 -0.408 0.000 0.881 866 T HN 0.842 nan 8.240 nan 0.000 0.532 867 Y N 0.098 120.319 120.300 -0.131 0.000 4.705 867 Y HA -0.269 4.282 4.550 0.001 0.000 0.226 867 Y C 1.617 177.544 175.900 0.044 0.000 1.039 867 Y CA 1.169 59.272 58.100 0.005 0.000 1.968 867 Y CB -2.795 35.697 38.460 0.052 0.000 1.614 867 Y HN 0.920 nan 8.280 nan 0.000 0.619 868 H N 1.122 120.214 119.070 0.035 0.000 2.502 868 H HA 0.039 4.595 4.556 0.001 0.000 0.283 868 H C 0.385 175.823 175.328 0.183 0.000 1.015 868 H CA 1.910 58.000 56.048 0.070 0.000 1.298 868 H CB 0.307 30.036 29.762 -0.056 0.000 1.411 868 H HN 0.619 nan 8.280 nan 0.000 0.556 869 Q N -0.643 119.298 119.800 0.235 0.000 3.050 869 Q HA -0.173 4.167 4.340 0.001 0.000 0.074 869 Q C 0.845 176.933 176.000 0.147 0.000 1.613 869 Q CA 0.540 56.420 55.803 0.128 0.000 0.348 869 Q CB -0.759 27.952 28.738 -0.045 0.000 0.599 869 Q HN 0.321 nan 8.270 nan 0.000 0.321 870 L N 1.578 122.811 121.223 0.016 0.000 2.291 870 L HA -0.115 4.225 4.340 0.001 0.000 0.214 870 L C 2.143 179.005 176.870 -0.013 0.000 1.120 870 L CA 1.517 56.355 54.840 -0.004 0.000 0.799 870 L CB -0.475 41.525 42.059 -0.099 0.000 0.925 870 L HN 0.802 nan 8.230 nan 0.000 0.446 871 T N -1.299 113.230 114.554 -0.041 0.000 2.531 871 T HA -0.321 4.029 4.350 0.001 0.000 0.261 871 T C 1.677 176.355 174.700 -0.036 0.000 1.141 871 T CA 2.046 64.097 62.100 -0.082 0.000 1.176 871 T CB -0.551 68.206 68.868 -0.184 0.000 0.863 871 T HN 0.359 nan 8.240 nan 0.000 0.424 872 H N 1.292 120.389 119.070 0.046 0.000 2.394 872 H HA -0.116 4.441 4.556 0.001 0.000 0.289 872 H C 0.982 176.422 175.328 0.187 0.000 1.082 872 H CA 2.072 58.189 56.048 0.116 0.000 1.140 872 H CB -0.768 29.093 29.762 0.165 0.000 1.390 872 H HN 0.590 nan 8.280 nan 0.000 0.579 873 F N -3.053 116.979 119.950 0.137 0.000 2.643 873 F HA 0.554 5.081 4.527 0.001 0.000 0.314 873 F C -0.150 175.507 175.800 -0.239 0.000 1.096 873 F CA -1.051 56.930 58.000 -0.032 0.000 0.953 873 F CB 1.539 40.527 39.000 -0.020 0.000 1.345 873 F HN -0.145 nan 8.300 nan 0.000 0.468 874 M N 1.774 121.304 119.600 -0.118 0.000 3.470 874 M HA 0.147 4.627 4.480 0.001 0.000 0.454 874 M C 0.277 176.509 176.300 -0.113 0.000 1.631 874 M CA -0.052 54.989 55.300 -0.433 0.000 0.732 874 M CB 1.057 33.410 32.600 -0.413 0.000 1.454 874 M HN 0.824 nan 8.290 nan 0.000 0.521 875 Q N 0.040 119.975 119.800 0.225 0.000 2.123 875 Q HA 0.062 4.402 4.340 0.001 0.000 0.193 875 Q C 0.876 176.886 176.000 0.015 0.000 0.981 875 Q CA 1.029 56.869 55.803 0.063 0.000 0.833 875 Q CB 0.547 29.253 28.738 -0.053 0.000 0.914 875 Q HN 0.657 nan 8.270 nan 0.000 0.484 876 c N 1.836 120.420 118.600 -0.026 0.000 4.058 876 c HA -0.132 4.438 4.570 0.001 0.000 0.307 876 c C 1.044 175.062 174.090 -0.120 0.000 1.247 876 c CA 0.819 57.147 56.329 -0.001 0.000 2.165 876 c CB -1.968 40.667 42.510 0.208 0.000 1.350 876 c HN 0.805 nan 8.230 nan 0.000 0.648 877 T N -3.407 110.992 114.554 -0.258 0.000 3.131 877 T HA 0.189 4.540 4.350 0.001 0.000 0.283 877 T C 1.044 175.557 174.700 -0.311 0.000 0.906 877 T CA 0.549 62.523 62.100 -0.209 0.000 0.882 877 T CB -0.063 68.717 68.868 -0.147 0.000 1.208 877 T HN 0.661 nan 8.240 nan 0.000 0.561 878 E N 1.587 121.482 120.200 -0.508 0.000 2.250 878 E HA -0.016 4.335 4.350 0.001 0.000 0.192 878 E C 0.081 176.242 176.600 -0.732 0.000 0.986 878 E CA 0.165 56.148 56.400 -0.694 0.000 0.849 878 E CB -0.036 29.147 29.700 -0.861 0.000 0.797 878 E HN 0.278 nan 8.360 nan 0.000 0.482 879 D N 0.668 120.740 120.400 -0.547 0.000 2.706 879 D HA -0.211 4.430 4.640 0.001 0.000 0.230 879 D C 0.631 176.804 176.300 -0.211 0.000 1.184 879 D CA 0.486 54.349 54.000 -0.228 0.000 0.628 879 D CB -0.676 40.034 40.800 -0.150 0.000 1.019 879 D HN 0.374 nan 8.370 nan 0.000 0.415 880 H N -0.738 118.253 119.070 -0.132 0.000 2.267 880 H HA -0.003 4.553 4.556 0.001 0.000 0.302 880 H C -0.589 174.652 175.328 -0.146 0.000 1.056 880 H CA 1.612 57.563 56.048 -0.162 0.000 1.269 880 H CB -1.094 28.590 29.762 -0.129 0.000 1.385 880 H HN 0.381 nan 8.280 nan 0.000 0.501 881 P HA 0.065 nan 4.420 nan 0.000 0.261 881 P C -0.040 177.465 177.300 0.341 0.000 1.352 881 P CA 0.483 63.700 63.100 0.195 0.000 0.891 881 P CB -0.091 31.663 31.700 0.090 0.000 1.383 882 H N -0.278 118.907 119.070 0.191 0.000 2.680 882 H HA 0.288 4.845 4.556 0.001 0.000 0.260 882 H C 0.463 175.855 175.328 0.106 0.000 1.328 882 H CA -1.219 54.927 56.048 0.163 0.000 1.269 882 H CB -0.480 29.360 29.762 0.130 0.000 1.446 882 H HN -0.074 nan 8.280 nan 0.000 0.527 883 F N 1.684 121.786 119.950 0.254 0.000 2.307 883 F HA -0.078 4.450 4.527 0.001 0.000 0.301 883 F C 1.089 176.948 175.800 0.099 0.000 1.076 883 F CA 1.179 59.265 58.000 0.142 0.000 1.383 883 F CB 0.600 39.660 39.000 0.101 0.000 1.055 883 F HN 0.420 nan 8.300 nan 0.000 0.526 884 E N -1.167 119.195 120.200 0.270 0.000 2.347 884 E HA 0.489 4.839 4.350 0.001 0.000 0.285 884 E C -0.405 176.189 176.600 -0.010 0.000 0.925 884 E CA -0.023 56.447 56.400 0.116 0.000 0.779 884 E CB 1.450 31.229 29.700 0.131 0.000 1.233 884 E HN 0.110 nan 8.360 nan 0.000 0.414 885 G N 1.739 110.481 108.800 -0.096 0.000 2.340 885 G HA2 0.161 4.122 3.960 0.001 0.000 0.282 885 G HA3 0.161 4.122 3.960 0.001 0.000 0.282 885 G C -1.472 173.330 174.900 -0.162 0.000 1.312 885 G CA -0.740 44.265 45.100 -0.159 0.000 0.942 885 G HN 0.437 nan 8.290 nan 0.000 0.495 886 L N 0.952 122.091 121.223 -0.140 0.000 2.745 886 L HA 0.456 4.796 4.340 0.001 0.000 0.296 886 L C -1.103 175.732 176.870 -0.057 0.000 1.362 886 L CA -0.232 54.555 54.840 -0.089 0.000 0.724 886 L CB 1.249 43.280 42.059 -0.046 0.000 1.069 886 L HN 0.627 nan 8.230 nan 0.000 0.535 887 D N -1.214 119.141 120.400 -0.074 0.000 2.964 887 D HA 0.439 5.080 4.640 0.001 0.000 0.234 887 D C -0.328 176.023 176.300 0.085 0.000 1.223 887 D CA -0.328 53.682 54.000 0.016 0.000 0.889 887 D CB 2.236 43.061 40.800 0.042 0.000 1.609 887 D HN 0.101 nan 8.370 nan 0.000 0.523 888 c N 3.165 121.844 118.600 0.131 0.000 3.003 888 c HA 0.185 4.755 4.570 0.001 0.000 0.499 888 c C 1.000 175.271 174.090 0.301 0.000 1.327 888 c CA 0.502 56.971 56.329 0.232 0.000 2.544 888 c CB -0.498 42.144 42.510 0.219 0.000 3.143 888 c HN 0.782 nan 8.230 nan 0.000 0.510 889 E N 1.444 121.776 120.200 0.220 0.000 2.385 889 E HA -0.049 4.302 4.350 0.001 0.000 0.201 889 E C 1.186 177.926 176.600 0.233 0.000 1.250 889 E CA 0.186 56.729 56.400 0.239 0.000 1.104 889 E CB -0.551 29.240 29.700 0.150 0.000 1.174 889 E HN 0.797 nan 8.360 nan 0.000 0.461 890 I N 0.079 120.780 120.570 0.217 0.000 3.444 890 I HA -0.087 4.083 4.170 0.001 0.000 0.287 890 I C 0.551 176.800 176.117 0.219 0.000 1.302 890 I CA 0.137 61.541 61.300 0.172 0.000 1.368 890 I CB 0.014 38.076 38.000 0.103 0.000 1.048 890 I HN 0.159 nan 8.210 nan 0.000 0.487 891 F N 0.905 120.955 119.950 0.167 0.000 2.604 891 F HA -0.069 4.459 4.527 0.001 0.000 0.298 891 F C 1.864 177.788 175.800 0.205 0.000 1.131 891 F CA 0.871 58.941 58.000 0.117 0.000 1.457 891 F CB -0.035 38.938 39.000 -0.046 0.000 1.095 891 F HN 0.133 nan 8.300 nan 0.000 0.574 892 E N 0.071 120.462 120.200 0.319 0.000 2.465 892 E HA 0.275 4.626 4.350 0.001 0.000 0.195 892 E C 0.675 177.351 176.600 0.127 0.000 1.028 892 E CA -0.321 56.205 56.400 0.210 0.000 0.899 892 E CB 0.252 30.044 29.700 0.154 0.000 1.032 892 E HN 0.175 nan 8.360 nan 0.000 0.468 893 A N 2.752 125.647 122.820 0.126 0.000 2.531 893 A HA 0.060 4.380 4.320 0.001 0.000 0.236 893 A C -1.370 176.088 177.584 -0.210 0.000 1.062 893 A CA -0.831 51.168 52.037 -0.064 0.000 0.760 893 A CB 0.114 19.034 19.000 -0.133 0.000 0.995 893 A HN 0.001 nan 8.150 nan 0.000 0.501 894 P HA -0.011 nan 4.420 nan 0.000 0.235 894 P C 0.625 177.665 177.300 -0.433 0.000 1.177 894 P CA 0.775 63.718 63.100 -0.261 0.000 0.785 894 P CB 0.300 31.887 31.700 -0.189 0.000 0.885 895 E N 1.293 121.083 120.200 -0.684 0.000 2.058 895 E HA -0.125 4.226 4.350 0.001 0.000 0.194 895 E C -0.527 175.451 176.600 -1.037 0.000 0.997 895 E CA 1.985 57.811 56.400 -0.956 0.000 0.801 895 E CB -1.977 26.901 29.700 -1.370 0.000 0.746 895 E HN 0.428 nan 8.360 nan 0.000 0.450 896 P HA -0.087 nan 4.420 nan 0.000 0.225 896 P C 1.117 178.216 177.300 -0.336 0.000 1.156 896 P CA 1.234 63.899 63.100 -0.725 0.000 0.787 896 P CB 0.086 31.259 31.700 -0.878 0.000 0.802 897 M N -0.816 118.605 119.600 -0.298 0.000 2.200 897 M HA -0.066 4.415 4.480 0.001 0.000 0.265 897 M C 1.911 178.106 176.300 -0.175 0.000 1.066 897 M CA 1.798 57.006 55.300 -0.154 0.000 1.127 897 M CB -1.076 31.462 32.600 -0.104 0.000 1.379 897 M HN -0.075 nan 8.290 nan 0.000 0.420 898 T N 0.401 114.792 114.554 -0.271 0.000 2.867 898 T HA -0.070 4.281 4.350 0.001 0.000 0.268 898 T C 1.834 176.369 174.700 -0.275 0.000 1.057 898 T CA 0.928 62.861 62.100 -0.277 0.000 1.136 898 T CB -0.011 68.644 68.868 -0.355 0.000 0.874 898 T HN 0.223 nan 8.240 nan 0.000 0.466 899 M N 1.353 120.790 119.600 -0.271 0.000 2.067 899 M HA 0.040 4.521 4.480 0.001 0.000 0.260 899 M C 2.847 179.064 176.300 -0.139 0.000 1.069 899 M CA 1.513 56.694 55.300 -0.199 0.000 1.117 899 M CB -1.524 31.034 32.600 -0.070 0.000 1.334 899 M HN 0.317 nan 8.290 nan 0.000 0.407 900 A N 0.110 122.876 122.820 -0.089 0.000 1.865 900 A HA -0.183 4.137 4.320 0.001 0.000 0.217 900 A C 2.233 179.791 177.584 -0.044 0.000 1.191 900 A CA 1.607 53.617 52.037 -0.044 0.000 0.623 900 A CB -1.074 17.921 19.000 -0.008 0.000 0.826 900 A HN 0.423 nan 8.150 nan 0.000 0.444 901 L N 0.185 121.382 121.223 -0.042 0.000 2.042 901 L HA -0.125 4.215 4.340 0.001 0.000 0.210 901 L C 2.473 179.334 176.870 -0.016 0.000 1.076 901 L CA 2.676 57.518 54.840 0.003 0.000 0.749 901 L CB -0.603 41.473 42.059 0.030 0.000 0.893 901 L HN 0.303 nan 8.230 nan 0.000 0.432 902 S N -1.589 114.065 115.700 -0.076 0.000 2.453 902 S HA -0.084 4.386 4.470 0.001 0.000 0.231 902 S C 1.953 176.479 174.600 -0.122 0.000 1.005 902 S CA 1.010 59.102 58.200 -0.180 0.000 0.949 902 S CB -0.238 62.715 63.200 -0.411 0.000 0.774 902 S HN 0.320 nan 8.310 nan 0.000 0.510 903 V N 1.744 121.601 119.914 -0.094 0.000 2.283 903 V HA -0.097 4.024 4.120 0.001 0.000 0.243 903 V C 2.223 178.314 176.094 -0.006 0.000 1.039 903 V CA 1.365 63.640 62.300 -0.041 0.000 1.016 903 V CB -0.561 31.231 31.823 -0.052 0.000 0.650 903 V HN 0.371 nan 8.190 nan 0.000 0.449 904 L N 0.008 121.224 121.223 -0.011 0.000 1.989 904 L HA -0.155 4.185 4.340 0.001 0.000 0.211 904 L C 2.387 179.262 176.870 0.008 0.000 1.071 904 L CA 2.001 56.845 54.840 0.008 0.000 0.749 904 L CB -0.711 41.355 42.059 0.012 0.000 0.890 904 L HN 0.121 nan 8.230 nan 0.000 0.431 905 V N -0.451 119.444 119.914 -0.031 0.000 2.231 905 V HA -0.385 3.735 4.120 0.001 0.000 0.248 905 V C 2.498 178.596 176.094 0.008 0.000 1.054 905 V CA 2.501 64.771 62.300 -0.050 0.000 1.015 905 V CB -1.155 30.512 31.823 -0.260 0.000 0.638 905 V HN 0.612 nan 8.190 nan 0.000 0.444 906 T N 0.187 114.753 114.554 0.021 0.000 2.684 906 T HA -0.173 4.177 4.350 0.001 0.000 0.267 906 T C 1.812 176.565 174.700 0.088 0.000 1.036 906 T CA 1.980 64.129 62.100 0.083 0.000 1.148 906 T CB -0.354 68.594 68.868 0.134 0.000 0.863 906 T HN 0.335 nan 8.240 nan 0.000 0.436 907 I N 1.031 121.653 120.570 0.086 0.000 2.163 907 I HA -0.184 3.986 4.170 0.001 0.000 0.243 907 I C 2.759 178.946 176.117 0.117 0.000 1.085 907 I CA 1.242 62.606 61.300 0.108 0.000 1.347 907 I CB -0.380 37.694 38.000 0.123 0.000 1.044 907 I HN 0.156 nan 8.210 nan 0.000 0.408 908 E N 0.273 120.541 120.200 0.113 0.000 2.153 908 E HA -0.199 4.151 4.350 0.001 0.000 0.194 908 E C 2.189 178.931 176.600 0.237 0.000 0.988 908 E CA 1.182 57.690 56.400 0.181 0.000 0.811 908 E CB -0.235 29.534 29.700 0.114 0.000 0.746 908 E HN 0.413 nan 8.360 nan 0.000 0.466 909 M N -0.065 119.620 119.600 0.143 0.000 2.086 909 M HA -0.132 4.348 4.480 0.001 0.000 0.261 909 M C 2.568 178.911 176.300 0.072 0.000 1.067 909 M CA 0.909 56.269 55.300 0.099 0.000 1.116 909 M CB -1.455 31.193 32.600 0.079 0.000 1.348 909 M HN 0.166 nan 8.290 nan 0.000 0.407 910 C N 0.509 119.857 119.300 0.081 0.000 2.413 910 C HA -0.169 4.292 4.460 0.001 0.000 0.276 910 C C 2.566 177.595 174.990 0.064 0.000 1.248 910 C CA 1.316 60.371 59.018 0.063 0.000 1.742 910 C CB -1.544 26.236 27.740 0.066 0.000 2.017 910 C HN 0.619 nan 8.230 nan 0.000 0.481 911 N N 0.499 119.271 118.700 0.120 0.000 2.396 911 N HA 0.009 4.750 4.740 0.001 0.000 0.180 911 N C 1.632 177.199 175.510 0.095 0.000 1.028 911 N CA 1.034 54.178 53.050 0.157 0.000 0.893 911 N CB -0.154 38.467 38.487 0.222 0.000 0.967 911 N HN 0.449 nan 8.380 nan 0.000 0.440 912 A N 0.319 123.100 122.820 -0.065 0.000 1.933 912 A HA -0.084 4.236 4.320 0.001 0.000 0.218 912 A C 2.103 179.553 177.584 -0.222 0.000 1.175 912 A CA 0.958 52.702 52.037 -0.489 0.000 0.628 912 A CB -0.663 18.044 19.000 -0.487 0.000 0.814 912 A HN 0.328 nan 8.150 nan 0.000 0.444 913 L N -0.308 120.860 121.223 -0.092 0.000 2.027 913 L HA -0.195 4.146 4.340 0.001 0.000 0.206 913 L C 2.212 179.059 176.870 -0.038 0.000 1.074 913 L CA 1.203 56.010 54.840 -0.056 0.000 0.745 913 L CB -0.739 41.304 42.059 -0.026 0.000 0.898 913 L HN 0.354 nan 8.230 nan 0.000 0.433 914 N N -0.263 118.434 118.700 -0.005 0.000 2.258 914 N HA -0.165 4.576 4.740 0.001 0.000 0.187 914 N C 1.764 177.295 175.510 0.034 0.000 1.012 914 N CA 1.488 54.554 53.050 0.027 0.000 0.870 914 N CB -0.187 38.341 38.487 0.068 0.000 0.977 914 N HN 0.223 nan 8.380 nan 0.000 0.434 915 S N 0.404 116.107 115.700 0.005 0.000 2.593 915 S HA 0.229 4.699 4.470 0.001 0.000 0.217 915 S C 1.922 176.511 174.600 -0.018 0.000 0.966 915 S CA -0.271 57.937 58.200 0.012 0.000 0.914 915 S CB 0.310 63.494 63.200 -0.026 0.000 0.776 915 S HN 0.233 nan 8.310 nan 0.000 0.523 916 L N 0.782 121.984 121.223 -0.035 0.000 2.079 916 L HA -0.020 4.321 4.340 0.001 0.000 0.210 916 L C 1.238 178.095 176.870 -0.021 0.000 1.081 916 L CA 0.820 55.641 54.840 -0.032 0.000 0.752 916 L CB -0.048 41.983 42.059 -0.046 0.000 0.896 916 L HN 0.231 nan 8.230 nan 0.000 0.433 917 S N -1.708 113.983 115.700 -0.015 0.000 2.538 917 S HA 0.147 4.618 4.470 0.001 0.000 0.288 917 S C 0.567 175.173 174.600 0.010 0.000 1.108 917 S CA -0.792 57.402 58.200 -0.010 0.000 0.971 917 S CB 1.900 65.088 63.200 -0.021 0.000 1.041 917 S HN 0.250 nan 8.310 nan 0.000 0.483 918 E N 3.441 123.648 120.200 0.012 0.000 2.033 918 E HA -0.192 4.158 4.350 0.001 0.000 0.199 918 E C 0.999 177.618 176.600 0.030 0.000 1.011 918 E CA 1.973 58.390 56.400 0.027 0.000 0.815 918 E CB -0.092 29.621 29.700 0.021 0.000 0.755 918 E HN 0.847 nan 8.360 nan 0.000 0.451 919 N N -1.206 117.503 118.700 0.015 0.000 2.257 919 N HA 0.016 4.757 4.740 0.001 0.000 0.200 919 N C -0.535 174.970 175.510 -0.007 0.000 1.163 919 N CA -0.371 52.686 53.050 0.010 0.000 0.891 919 N CB 0.669 39.150 38.487 -0.009 0.000 1.067 919 N HN -0.015 nan 8.380 nan 0.000 0.497 920 Q N 1.274 121.065 119.800 -0.015 0.000 2.304 920 Q HA 0.233 4.573 4.340 0.001 0.000 0.260 920 Q C -0.126 175.864 176.000 -0.016 0.000 0.965 920 Q CA 0.244 56.032 55.803 -0.026 0.000 0.898 920 Q CB 1.151 29.867 28.738 -0.036 0.000 1.196 920 Q HN 0.033 nan 8.270 nan 0.000 0.402 921 S N 1.775 117.470 115.700 -0.008 0.000 2.576 921 S HA 0.060 4.530 4.470 0.001 0.000 0.272 921 S C 1.466 176.046 174.600 -0.033 0.000 1.352 921 S CA -0.298 57.904 58.200 0.003 0.000 1.021 921 S CB 0.346 63.565 63.200 0.032 0.000 0.887 921 S HN 0.557 nan 8.310 nan 0.000 0.542 922 L N 1.942 123.141 121.223 -0.039 0.000 2.549 922 L HA -0.063 4.278 4.340 0.001 0.000 0.229 922 L C 1.920 178.728 176.870 -0.104 0.000 1.158 922 L CA 0.597 55.385 54.840 -0.086 0.000 0.842 922 L CB -0.278 41.737 42.059 -0.074 0.000 0.952 922 L HN 0.650 nan 8.230 nan 0.000 0.452 923 M N -1.512 118.056 119.600 -0.053 0.000 2.419 923 M HA -0.023 4.457 4.480 0.001 0.000 0.264 923 M C 1.865 178.136 176.300 -0.049 0.000 1.082 923 M CA 1.199 56.477 55.300 -0.037 0.000 1.119 923 M CB -0.565 32.038 32.600 0.004 0.000 1.398 923 M HN 0.203 nan 8.290 nan 0.000 0.453 924 R N -0.379 120.085 120.500 -0.060 0.000 2.191 924 R HA 0.329 4.670 4.340 0.001 0.000 0.196 924 R C 0.568 176.808 176.300 -0.100 0.000 0.991 924 R CA 0.345 56.409 56.100 -0.060 0.000 1.075 924 R CB 0.507 30.783 30.300 -0.041 0.000 1.040 924 R HN 0.299 nan 8.270 nan 0.000 0.526 925 M N 3.456 122.983 119.600 -0.122 0.000 2.065 925 M HA 0.319 4.800 4.480 0.001 0.000 0.332 925 M C -2.492 173.658 176.300 -0.249 0.000 0.988 925 M CA -2.061 53.143 55.300 -0.160 0.000 0.944 925 M CB 1.759 34.297 32.600 -0.104 0.000 1.357 925 M HN -0.225 nan 8.290 nan 0.000 0.388 926 P HA 0.300 nan 4.420 nan 0.000 0.274 926 P C -2.603 174.348 177.300 -0.581 0.000 1.246 926 P CA -1.020 61.667 63.100 -0.687 0.000 0.795 926 P CB 0.115 30.943 31.700 -1.453 0.000 1.006 927 P HA -0.149 nan 4.420 nan 0.000 0.216 927 P C 1.131 178.384 177.300 -0.078 0.000 1.153 927 P CA 1.718 64.719 63.100 -0.165 0.000 0.858 927 P CB -0.597 31.090 31.700 -0.022 0.000 0.789 928 W N -1.822 119.478 121.300 0.001 0.000 2.848 928 W HA 0.090 4.750 4.660 0.001 0.000 0.241 928 W C 1.191 177.716 176.519 0.009 0.000 1.289 928 W CA -0.120 57.222 57.345 -0.003 0.000 1.396 928 W CB -1.886 27.566 29.460 -0.013 0.000 1.138 928 W HN -0.285 nan 8.180 nan 0.000 0.677 929 V N 1.867 121.712 119.914 -0.115 0.000 2.828 929 V HA -0.201 3.920 4.120 0.001 0.000 0.260 929 V C 0.430 176.562 176.094 0.063 0.000 1.101 929 V CA 1.878 64.157 62.300 -0.036 0.000 1.123 929 V CB -0.874 30.876 31.823 -0.121 0.000 0.704 929 V HN 0.368 nan 8.190 nan 0.000 0.493 930 N N -0.214 118.537 118.700 0.084 0.000 2.581 930 N HA 0.190 4.930 4.740 0.001 0.000 0.279 930 N C 0.382 175.972 175.510 0.134 0.000 1.124 930 N CA -0.438 52.697 53.050 0.143 0.000 0.833 930 N CB 1.082 39.648 38.487 0.133 0.000 1.338 930 N HN -0.097 nan 8.380 nan 0.000 0.533 931 I N 1.490 122.123 120.570 0.105 0.000 2.252 931 I HA -0.131 4.039 4.170 0.001 0.000 0.245 931 I C 1.512 177.588 176.117 -0.069 0.000 1.102 931 I CA 1.003 62.285 61.300 -0.029 0.000 1.385 931 I CB -0.988 36.909 38.000 -0.172 0.000 1.064 931 I HN 0.544 nan 8.210 nan 0.000 0.414 932 W N 0.991 122.234 121.300 -0.096 0.000 2.321 932 W HA -0.232 4.429 4.660 0.001 0.000 0.306 932 W C 2.529 178.987 176.519 -0.102 0.000 1.217 932 W CA 0.714 57.958 57.345 -0.169 0.000 1.257 932 W CB -1.080 28.167 29.460 -0.355 0.000 1.145 932 W HN 0.095 nan 8.180 nan 0.000 0.509 933 L N 0.262 121.586 121.223 0.169 0.000 1.994 933 L HA -0.168 4.173 4.340 0.001 0.000 0.208 933 L C 2.215 179.112 176.870 0.044 0.000 1.071 933 L CA 1.869 56.758 54.840 0.083 0.000 0.745 933 L CB -1.153 40.938 42.059 0.054 0.000 0.892 933 L HN 0.008 nan 8.230 nan 0.000 0.431 934 L N -0.679 120.568 121.223 0.039 0.000 2.013 934 L HA -0.197 4.144 4.340 0.001 0.000 0.212 934 L C 2.564 179.436 176.870 0.003 0.000 1.073 934 L CA 1.497 56.352 54.840 0.024 0.000 0.753 934 L CB -1.667 40.412 42.059 0.034 0.000 0.890 934 L HN 0.491 nan 8.230 nan 0.000 0.432 935 G N -0.124 108.665 108.800 -0.018 0.000 2.440 935 G HA2 -0.324 3.637 3.960 0.001 0.000 0.218 935 G HA3 -0.324 3.637 3.960 0.001 0.000 0.218 935 G C 1.820 176.720 174.900 -0.001 0.000 1.154 935 G CA 1.188 46.265 45.100 -0.038 0.000 0.767 935 G HN 0.522 nan 8.290 nan 0.000 0.552 936 S N 0.572 116.290 115.700 0.029 0.000 2.368 936 S HA -0.013 4.457 4.470 0.001 0.000 0.224 936 S C 2.357 176.978 174.600 0.035 0.000 1.029 936 S CA 1.068 59.291 58.200 0.039 0.000 0.988 936 S CB -0.392 62.838 63.200 0.049 0.000 0.838 936 S HN 0.330 nan 8.310 nan 0.000 0.462 937 I N 1.218 121.806 120.570 0.030 0.000 2.361 937 I HA -0.180 3.990 4.170 0.001 0.000 0.251 937 I C 2.396 178.535 176.117 0.037 0.000 1.133 937 I CA 0.896 62.218 61.300 0.036 0.000 1.413 937 I CB -0.525 37.492 38.000 0.028 0.000 1.073 937 I HN 0.431 nan 8.210 nan 0.000 0.424 938 C N -0.064 119.247 119.300 0.017 0.000 2.450 938 C HA -0.078 4.383 4.460 0.001 0.000 0.279 938 C C 2.639 177.642 174.990 0.021 0.000 1.335 938 C CA 0.221 59.241 59.018 0.004 0.000 1.749 938 C CB -0.752 26.974 27.740 -0.023 0.000 1.963 938 C HN 0.457 nan 8.230 nan 0.000 0.501 939 L N 0.724 121.967 121.223 0.032 0.000 2.109 939 L HA -0.035 4.305 4.340 0.001 0.000 0.207 939 L C 2.573 179.498 176.870 0.092 0.000 1.086 939 L CA 1.754 56.624 54.840 0.050 0.000 0.760 939 L CB -0.501 41.581 42.059 0.039 0.000 0.910 939 L HN 0.182 nan 8.230 nan 0.000 0.437 940 S N -1.035 114.722 115.700 0.095 0.000 2.368 940 S HA -0.137 4.334 4.470 0.001 0.000 0.224 940 S C 1.902 176.633 174.600 0.218 0.000 1.029 940 S CA 1.284 59.565 58.200 0.135 0.000 0.988 940 S CB -0.198 63.064 63.200 0.102 0.000 0.838 940 S HN 0.302 nan 8.310 nan 0.000 0.462 941 M N 1.494 121.209 119.600 0.192 0.000 2.132 941 M HA 0.052 4.533 4.480 0.001 0.000 0.263 941 M C 2.255 178.779 176.300 0.374 0.000 1.065 941 M CA 1.061 56.531 55.300 0.283 0.000 1.122 941 M CB -1.783 30.919 32.600 0.171 0.000 1.365 941 M HN 0.163 nan 8.290 nan 0.000 0.411 942 S N 0.958 116.777 115.700 0.198 0.000 2.383 942 S HA -0.085 4.386 4.470 0.001 0.000 0.229 942 S C 2.015 176.781 174.600 0.277 0.000 1.030 942 S CA 1.093 59.390 58.200 0.161 0.000 1.002 942 S CB -0.354 62.886 63.200 0.067 0.000 0.829 942 S HN 0.426 nan 8.310 nan 0.000 0.467 943 L N 0.037 121.441 121.223 0.303 0.000 2.240 943 L HA -0.031 4.309 4.340 0.001 0.000 0.211 943 L C 2.349 179.463 176.870 0.407 0.000 1.106 943 L CA 1.024 56.084 54.840 0.367 0.000 0.793 943 L CB -0.410 41.892 42.059 0.405 0.000 0.927 943 L HN 0.338 nan 8.230 nan 0.000 0.446 944 H N -0.427 118.844 119.070 0.336 0.000 2.389 944 H HA -0.138 4.418 4.556 0.001 0.000 0.299 944 H C 1.923 177.363 175.328 0.187 0.000 1.081 944 H CA 1.630 57.823 56.048 0.243 0.000 1.345 944 H CB 0.028 29.960 29.762 0.284 0.000 1.393 944 H HN 0.142 nan 8.280 nan 0.000 0.520 945 F N -0.547 119.525 119.950 0.203 0.000 2.234 945 F HA -0.071 4.456 4.527 0.001 0.000 0.299 945 F C 2.306 178.220 175.800 0.191 0.000 1.087 945 F CA 0.740 58.877 58.000 0.229 0.000 1.340 945 F CB -0.524 38.589 39.000 0.190 0.000 1.031 945 F HN 0.204 nan 8.300 nan 0.000 0.500 946 L N 0.883 122.273 121.223 0.280 0.000 2.012 946 L HA -0.204 4.137 4.340 0.001 0.000 0.210 946 L C 2.211 179.103 176.870 0.038 0.000 1.073 946 L CA 1.917 56.857 54.840 0.167 0.000 0.748 946 L CB -0.697 41.461 42.059 0.164 0.000 0.891 946 L HN 0.284 nan 8.230 nan 0.000 0.431 947 I N -4.028 116.456 120.570 -0.143 0.000 2.928 947 I HA -0.136 4.035 4.170 0.001 0.000 0.266 947 I C 1.964 177.912 176.117 -0.281 0.000 1.234 947 I CA 0.910 62.013 61.300 -0.328 0.000 1.483 947 I CB -0.398 37.091 38.000 -0.851 0.000 1.097 947 I HN 0.165 nan 8.210 nan 0.000 0.455 948 L N -0.748 120.314 121.223 -0.268 0.000 2.341 948 L HA 0.004 4.344 4.340 0.001 0.000 0.214 948 L C 1.815 178.449 176.870 -0.395 0.000 1.115 948 L CA 1.233 55.844 54.840 -0.381 0.000 0.820 948 L CB -0.109 41.647 42.059 -0.506 0.000 0.944 948 L HN 0.290 nan 8.230 nan 0.000 0.452 949 Y N -1.890 118.370 120.300 -0.068 0.000 2.736 949 Y HA 0.138 4.688 4.550 0.001 0.000 0.272 949 Y C 1.034 176.932 175.900 -0.004 0.000 1.118 949 Y CA -0.405 57.689 58.100 -0.009 0.000 1.248 949 Y CB 0.432 38.924 38.460 0.054 0.000 1.437 949 Y HN -0.383 nan 8.280 nan 0.000 0.481 950 V N 3.147 123.157 119.914 0.160 0.000 2.400 950 V HA -0.103 4.018 4.120 0.001 0.000 0.263 950 V C 0.909 177.031 176.094 0.047 0.000 1.026 950 V CA 0.250 62.608 62.300 0.096 0.000 1.077 950 V CB 0.057 31.929 31.823 0.082 0.000 1.054 950 V HN 0.369 nan 8.190 nan 0.000 0.477 951 D N 6.723 127.148 120.400 0.041 0.000 2.170 951 D HA -0.160 4.481 4.640 0.001 0.000 0.193 951 D C -0.157 176.142 176.300 -0.002 0.000 1.004 951 D CA 1.978 55.986 54.000 0.014 0.000 0.860 951 D CB -0.630 40.180 40.800 0.016 0.000 0.931 951 D HN 0.476 nan 8.370 nan 0.000 0.448 952 P HA -0.097 nan 4.420 nan 0.000 0.218 952 P C 1.738 179.025 177.300 -0.022 0.000 1.148 952 P CA 0.868 63.959 63.100 -0.014 0.000 0.822 952 P CB -0.051 31.643 31.700 -0.010 0.000 0.784 953 L N -1.126 120.096 121.223 -0.001 0.000 2.068 953 L HA -0.006 4.334 4.340 0.001 0.000 0.204 953 L C -0.401 176.507 176.870 0.062 0.000 1.076 953 L CA 1.522 56.385 54.840 0.038 0.000 0.753 953 L CB -2.142 39.943 42.059 0.044 0.000 0.910 953 L HN -0.016 nan 8.230 nan 0.000 0.439 954 P HA -0.249 nan 4.420 nan 0.000 0.217 954 P C 1.860 179.138 177.300 -0.036 0.000 1.151 954 P CA 1.709 64.775 63.100 -0.056 0.000 0.849 954 P CB -0.040 31.595 31.700 -0.108 0.000 0.787 955 M N -1.464 118.111 119.600 -0.042 0.000 2.156 955 M HA -0.102 4.378 4.480 0.001 0.000 0.264 955 M C 1.977 178.238 176.300 -0.065 0.000 1.067 955 M CA 1.751 57.022 55.300 -0.049 0.000 1.131 955 M CB -0.583 31.989 32.600 -0.046 0.000 1.368 955 M HN -0.141 nan 8.290 nan 0.000 0.416 956 I N -0.141 120.368 120.570 -0.103 0.000 2.163 956 I HA -0.322 3.849 4.170 0.001 0.000 0.243 956 I C 1.662 177.599 176.117 -0.301 0.000 1.085 956 I CA 1.526 62.689 61.300 -0.228 0.000 1.347 956 I CB -0.379 37.415 38.000 -0.343 0.000 1.044 956 I HN 0.183 nan 8.210 nan 0.000 0.408 957 F N 0.757 120.638 119.950 -0.116 0.000 2.789 957 F HA 0.105 4.632 4.527 0.001 0.000 0.300 957 F C 0.805 176.544 175.800 -0.101 0.000 1.132 957 F CA 0.163 58.092 58.000 -0.119 0.000 1.404 957 F CB -0.221 38.659 39.000 -0.201 0.000 1.114 957 F HN -0.102 nan 8.300 nan 0.000 0.584 958 K N 1.172 121.592 120.400 0.032 0.000 3.585 958 K HA -0.175 4.145 4.320 0.001 0.000 0.275 958 K C -1.047 175.519 176.600 -0.056 0.000 1.026 958 K CA 0.154 56.431 56.287 -0.016 0.000 0.800 958 K CB -1.854 30.642 32.500 -0.007 0.000 1.401 958 K HN 0.251 nan 8.250 nan 0.000 0.453 959 L N -0.114 121.054 121.223 -0.091 0.000 2.376 959 L HA 0.609 4.950 4.340 0.001 0.000 0.258 959 L C -0.294 176.448 176.870 -0.212 0.000 1.013 959 L CA -1.156 53.580 54.840 -0.173 0.000 0.822 959 L CB 2.050 43.988 42.059 -0.201 0.000 1.388 959 L HN -0.055 nan 8.230 nan 0.000 0.413 960 K N 1.374 121.610 120.400 -0.273 0.000 2.482 960 K HA 0.603 4.923 4.320 0.001 0.000 0.251 960 K C -0.928 175.472 176.600 -0.332 0.000 0.936 960 K CA -0.552 55.569 56.287 -0.277 0.000 0.791 960 K CB 2.209 34.568 32.500 -0.236 0.000 1.213 960 K HN 0.713 nan 8.250 nan 0.000 0.428 961 A N 5.042 127.624 122.820 -0.396 0.000 2.598 961 A HA 0.003 4.324 4.320 0.001 0.000 0.239 961 A C 0.313 177.751 177.584 -0.242 0.000 1.032 961 A CA 0.492 52.248 52.037 -0.468 0.000 0.760 961 A CB -0.257 18.343 19.000 -0.667 0.000 0.946 961 A HN 0.674 nan 8.150 nan 0.000 0.512 962 L N 1.605 122.714 121.223 -0.189 0.000 2.456 962 L HA 0.252 4.592 4.340 0.001 0.000 0.257 962 L C 0.602 177.526 176.870 0.090 0.000 1.162 962 L CA -0.641 54.102 54.840 -0.162 0.000 0.808 962 L CB 0.766 42.487 42.059 -0.563 0.000 1.136 962 L HN 0.829 nan 8.230 nan 0.000 0.466 963 D N 0.560 121.018 120.400 0.097 0.000 2.264 963 D HA 0.071 4.712 4.640 0.001 0.000 0.249 963 D C 0.618 177.093 176.300 0.291 0.000 1.070 963 D CA -0.409 53.703 54.000 0.187 0.000 0.912 963 D CB 1.437 42.330 40.800 0.154 0.000 1.193 963 D HN 0.290 nan 8.370 nan 0.000 0.427 964 L N 3.021 124.415 121.223 0.284 0.000 2.187 964 L HA -0.130 4.210 4.340 0.001 0.000 0.213 964 L C 1.833 178.851 176.870 0.247 0.000 1.100 964 L CA 1.934 56.945 54.840 0.285 0.000 0.765 964 L CB -0.798 41.374 42.059 0.189 0.000 0.904 964 L HN 0.542 nan 8.230 nan 0.000 0.437 965 T N -1.116 113.561 114.554 0.206 0.000 2.770 965 T HA -0.170 4.181 4.350 0.001 0.000 0.263 965 T C 1.773 176.588 174.700 0.192 0.000 1.039 965 T CA 1.621 63.834 62.100 0.188 0.000 1.142 965 T CB -0.136 68.847 68.868 0.191 0.000 0.868 965 T HN 0.478 nan 8.240 nan 0.000 0.435 966 Q N -0.460 119.460 119.800 0.200 0.000 2.123 966 Q HA -0.051 4.289 4.340 0.001 0.000 0.199 966 Q C 2.086 178.083 176.000 -0.005 0.000 0.966 966 Q CA 1.106 56.985 55.803 0.127 0.000 0.845 966 Q CB -0.217 28.595 28.738 0.123 0.000 0.907 966 Q HN 0.597 nan 8.270 nan 0.000 0.439 967 W N 0.551 121.883 121.300 0.053 0.000 2.363 967 W HA -0.177 4.483 4.660 0.001 0.000 0.296 967 W C 1.904 178.430 176.519 0.013 0.000 1.212 967 W CA 0.345 57.715 57.345 0.041 0.000 1.260 967 W CB -0.084 29.429 29.460 0.087 0.000 1.131 967 W HN 0.160 nan 8.180 nan 0.000 0.530 968 L N -0.401 120.977 121.223 0.258 0.000 2.141 968 L HA -0.197 4.144 4.340 0.001 0.000 0.209 968 L C 2.374 179.261 176.870 0.027 0.000 1.094 968 L CA 1.593 56.517 54.840 0.140 0.000 0.763 968 L CB -0.731 41.395 42.059 0.112 0.000 0.908 968 L HN -0.007 nan 8.230 nan 0.000 0.437 969 M N -1.682 117.870 119.600 -0.081 0.000 2.132 969 M HA -0.123 4.357 4.480 0.001 0.000 0.263 969 M C 2.119 178.289 176.300 -0.216 0.000 1.065 969 M CA 1.660 56.787 55.300 -0.288 0.000 1.122 969 M CB -0.472 31.693 32.600 -0.725 0.000 1.365 969 M HN 0.034 nan 8.290 nan 0.000 0.411 970 V N 0.567 120.397 119.914 -0.139 0.000 2.250 970 V HA -0.350 3.770 4.120 0.001 0.000 0.250 970 V C 2.454 178.570 176.094 0.037 0.000 1.060 970 V CA 2.284 64.545 62.300 -0.065 0.000 1.030 970 V CB -0.935 30.854 31.823 -0.058 0.000 0.643 970 V HN 0.552 nan 8.190 nan 0.000 0.445 971 L N -0.918 120.371 121.223 0.111 0.000 2.017 971 L HA -0.201 4.139 4.340 0.001 0.000 0.208 971 L C 2.593 179.493 176.870 0.051 0.000 1.073 971 L CA 1.775 56.678 54.840 0.105 0.000 0.745 971 L CB -0.784 41.350 42.059 0.124 0.000 0.894 971 L HN 0.278 nan 8.230 nan 0.000 0.432 972 K N 0.201 120.607 120.400 0.010 0.000 2.034 972 K HA -0.260 4.060 4.320 0.001 0.000 0.214 972 K C 2.078 178.679 176.600 0.001 0.000 1.051 972 K CA 2.025 58.305 56.287 -0.011 0.000 0.931 972 K CB -0.312 32.151 32.500 -0.063 0.000 0.715 972 K HN 0.286 nan 8.250 nan 0.000 0.446 973 I N -0.115 120.437 120.570 -0.029 0.000 2.716 973 I HA -0.166 4.004 4.170 0.001 0.000 0.259 973 I C 1.740 177.914 176.117 0.096 0.000 1.172 973 I CA 0.955 62.252 61.300 -0.005 0.000 1.478 973 I CB 0.228 38.169 38.000 -0.098 0.000 1.104 973 I HN 0.002 nan 8.210 nan 0.000 0.439 974 S N 0.724 116.476 115.700 0.087 0.000 2.388 974 S HA 0.034 4.505 4.470 0.001 0.000 0.223 974 S C 1.789 176.473 174.600 0.139 0.000 1.034 974 S CA 0.525 58.805 58.200 0.133 0.000 0.963 974 S CB -0.090 63.170 63.200 0.100 0.000 0.827 974 S HN 0.300 nan 8.310 nan 0.000 0.481 975 L N 1.848 123.130 121.223 0.098 0.000 2.127 975 L HA -0.023 4.318 4.340 0.001 0.000 0.211 975 L C -0.971 175.924 176.870 0.041 0.000 1.089 975 L CA 1.737 56.617 54.840 0.067 0.000 0.757 975 L CB -2.562 39.530 42.059 0.055 0.000 0.899 975 L HN 0.208 nan 8.230 nan 0.000 0.434 976 P HA -0.092 nan 4.420 nan 0.000 0.222 976 P C 2.115 179.314 177.300 -0.168 0.000 1.147 976 P CA 0.564 63.657 63.100 -0.012 0.000 0.790 976 P CB 0.089 31.831 31.700 0.069 0.000 0.780 977 V N -0.310 119.474 119.914 -0.217 0.000 2.546 977 V HA -0.262 3.859 4.120 0.001 0.000 0.254 977 V C 2.026 178.022 176.094 -0.163 0.000 1.076 977 V CA 1.631 63.726 62.300 -0.343 0.000 1.087 977 V CB -0.867 30.879 31.823 -0.128 0.000 0.674 977 V HN 0.045 nan 8.190 nan 0.000 0.470 978 I N -0.149 120.376 120.570 -0.075 0.000 2.202 978 I HA -0.113 4.058 4.170 0.001 0.000 0.242 978 I C 2.577 178.669 176.117 -0.041 0.000 1.091 978 I CA 1.489 62.768 61.300 -0.035 0.000 1.368 978 I CB -0.975 37.021 38.000 -0.008 0.000 1.058 978 I HN 0.409 nan 8.210 nan 0.000 0.410 979 G N 1.214 109.981 108.800 -0.055 0.000 2.446 979 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 979 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 979 G C 1.660 176.529 174.900 -0.052 0.000 1.168 979 G CA 0.869 45.942 45.100 -0.045 0.000 0.771 979 G HN 0.273 nan 8.290 nan 0.000 0.551 980 L N 0.736 121.891 121.223 -0.114 0.000 2.017 980 L HA -0.012 4.328 4.340 0.001 0.000 0.208 980 L C 2.174 179.021 176.870 -0.038 0.000 1.073 980 L CA 2.593 57.368 54.840 -0.110 0.000 0.745 980 L CB -0.659 41.245 42.059 -0.257 0.000 0.894 980 L HN 0.155 nan 8.230 nan 0.000 0.432 981 D N -0.700 119.676 120.400 -0.041 0.000 2.097 981 D HA -0.215 4.425 4.640 0.001 0.000 0.195 981 D C 2.135 178.473 176.300 0.062 0.000 0.989 981 D CA 1.146 55.156 54.000 0.016 0.000 0.827 981 D CB 0.088 40.899 40.800 0.020 0.000 0.966 981 D HN 0.434 nan 8.370 nan 0.000 0.456 982 E N -0.266 119.960 120.200 0.045 0.000 2.118 982 E HA -0.126 4.225 4.350 0.001 0.000 0.195 982 E C 2.130 178.803 176.600 0.122 0.000 0.992 982 E CA 0.788 57.231 56.400 0.072 0.000 0.804 982 E CB -0.144 29.579 29.700 0.039 0.000 0.741 982 E HN 0.379 nan 8.360 nan 0.000 0.458 983 I N -0.194 120.434 120.570 0.097 0.000 2.202 983 I HA -0.260 3.911 4.170 0.001 0.000 0.242 983 I C 2.062 178.336 176.117 0.263 0.000 1.091 983 I CA 0.826 62.208 61.300 0.136 0.000 1.368 983 I CB -0.184 37.867 38.000 0.085 0.000 1.058 983 I HN 0.139 nan 8.210 nan 0.000 0.410 984 L N 0.341 121.715 121.223 0.252 0.000 2.083 984 L HA -0.197 4.144 4.340 0.001 0.000 0.209 984 L C 2.492 179.622 176.870 0.434 0.000 1.083 984 L CA 1.394 56.478 54.840 0.407 0.000 0.752 984 L CB -0.550 41.661 42.059 0.254 0.000 0.899 984 L HN 0.158 nan 8.230 nan 0.000 0.433 985 K N -0.545 120.014 120.400 0.265 0.000 2.057 985 K HA -0.175 4.146 4.320 0.001 0.000 0.206 985 K C 2.085 178.757 176.600 0.120 0.000 1.050 985 K CA 1.344 57.740 56.287 0.182 0.000 0.935 985 K CB -0.238 32.331 32.500 0.115 0.000 0.715 985 K HN 0.072 nan 8.250 nan 0.000 0.439 986 F N 1.868 121.830 119.950 0.020 0.000 2.126 986 F HA -0.223 4.304 4.527 0.001 0.000 0.299 986 F C 1.888 177.597 175.800 -0.152 0.000 1.096 986 F CA 1.432 59.399 58.000 -0.055 0.000 1.255 986 F CB -0.058 38.931 39.000 -0.017 0.000 0.997 986 F HN -0.079 nan 8.300 nan 0.000 0.479 987 I N -0.294 120.372 120.570 0.159 0.000 2.315 987 I HA -0.292 3.878 4.170 0.001 0.000 0.248 987 I C 2.586 178.467 176.117 -0.392 0.000 1.117 987 I CA 1.099 62.388 61.300 -0.018 0.000 1.404 987 I CB -0.795 37.315 38.000 0.185 0.000 1.071 987 I HN 0.225 nan 8.210 nan 0.000 0.419 988 A N 0.613 123.209 122.820 -0.373 0.000 1.897 988 A HA -0.118 4.203 4.320 0.001 0.000 0.215 988 A C 2.327 179.711 177.584 -0.334 0.000 1.181 988 A CA 1.005 52.770 52.037 -0.453 0.000 0.620 988 A CB -0.453 18.415 19.000 -0.219 0.000 0.821 988 A HN 0.259 nan 8.150 nan 0.000 0.443 989 R N -0.705 119.609 120.500 -0.310 0.000 2.328 989 R HA -0.052 4.289 4.340 0.001 0.000 0.207 989 R C 0.786 176.815 176.300 -0.453 0.000 1.056 989 R CA 1.423 57.324 56.100 -0.331 0.000 1.016 989 R CB -0.203 29.903 30.300 -0.322 0.000 0.872 989 R HN 0.706 nan 8.270 nan 0.000 0.471 990 N N -2.118 116.211 118.700 -0.618 0.000 2.486 990 N HA 0.020 4.760 4.740 0.001 0.000 0.242 990 N C -0.107 175.045 175.510 -0.596 0.000 1.083 990 N CA 0.003 52.610 53.050 -0.738 0.000 0.844 990 N CB 0.441 38.237 38.487 -1.151 0.000 1.527 990 N HN 0.042 nan 8.380 nan 0.000 0.462 991 Y N 0.674 120.840 120.300 -0.223 0.000 2.625 991 Y HA 0.481 5.032 4.550 0.001 0.000 0.285 991 Y C 0.000 175.769 175.900 -0.218 0.000 1.168 991 Y CA -0.050 57.936 58.100 -0.191 0.000 1.250 991 Y CB 0.066 38.422 38.460 -0.173 0.000 1.130 991 Y HN -0.033 nan 8.280 nan 0.000 0.526 992 L N 0.097 121.223 121.223 -0.161 0.000 3.165 992 L HA 0.297 4.637 4.340 0.001 0.000 0.327 992 L C 0.305 177.099 176.870 -0.126 0.000 1.294 992 L CA 0.045 54.799 54.840 -0.143 0.000 0.838 992 L CB 0.699 42.639 42.059 -0.198 0.000 1.274 992 L HN -0.114 nan 8.230 nan 0.000 0.590 993 E N 1.907 122.036 120.200 -0.117 0.000 2.325 993 E HA 0.382 4.732 4.350 0.001 0.000 0.295 993 E C 0.416 176.976 176.600 -0.068 0.000 1.461 993 E CA -0.028 56.309 56.400 -0.106 0.000 1.698 993 E CB 0.876 30.498 29.700 -0.129 0.000 1.496 993 E HN 0.440 nan 8.360 nan 0.000 0.474 994 G N 0.000 108.767 108.800 -0.056 0.000 5.446 994 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 994 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 994 G CA 0.000 45.077 45.100 -0.038 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925