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 2c8k_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 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.551 32.600 -0.081 0.000 1.302 2 E N 2.232 122.304 120.200 -0.213 0.000 2.405 2 E HA 0.687 5.035 4.350 -0.003 0.000 0.253 2 E C -0.004 176.508 176.600 -0.146 0.000 1.257 2 E CA -0.569 55.619 56.400 -0.353 0.000 0.960 2 E CB 0.942 30.214 29.700 -0.713 0.000 1.077 2 E HN 0.692 nan 8.360 nan 0.000 0.512 3 A N 0.461 123.184 122.820 -0.161 0.000 3.175 3 A HA 0.470 4.788 4.320 -0.003 0.000 0.289 3 A C 1.037 178.493 177.584 -0.215 0.000 1.429 3 A CA 0.071 52.056 52.037 -0.088 0.000 1.155 3 A CB -0.610 18.350 19.000 -0.067 0.000 1.169 3 A HN 0.667 nan 8.150 nan 0.000 0.574 4 A N 0.696 123.442 122.820 -0.124 0.000 2.084 4 A HA -0.209 4.109 4.320 -0.003 0.000 0.221 4 A C 1.798 179.296 177.584 -0.144 0.000 1.161 4 A CA 2.152 54.119 52.037 -0.117 0.000 0.653 4 A CB -0.910 18.076 19.000 -0.023 0.000 0.802 4 A HN 1.101 nan 8.150 nan 0.000 0.457 5 H N -0.480 118.574 119.070 -0.027 0.000 2.456 5 H HA -0.045 4.509 4.556 -0.003 0.000 0.296 5 H C 1.877 177.194 175.328 -0.018 0.000 1.079 5 H CA 1.776 57.810 56.048 -0.022 0.000 1.322 5 H CB -0.595 29.165 29.762 -0.004 0.000 1.388 5 H HN 0.494 nan 8.280 nan 0.000 0.538 6 S N -0.678 114.645 115.700 -0.628 0.000 2.503 6 S HA 0.121 4.589 4.470 -0.003 0.000 0.217 6 S C 0.813 175.311 174.600 -0.171 0.000 0.999 6 S CA -0.519 57.493 58.200 -0.313 0.000 0.914 6 S CB 0.251 63.220 63.200 -0.385 0.000 0.782 6 S HN 0.108 nan 8.310 nan 0.000 0.520 7 K N 2.826 123.122 120.400 -0.174 0.000 2.087 7 K HA 0.432 4.751 4.320 -0.003 0.000 0.255 7 K C 0.580 177.147 176.600 -0.055 0.000 0.988 7 K CA -0.139 56.087 56.287 -0.101 0.000 0.915 7 K CB 1.436 33.873 32.500 -0.104 0.000 1.043 7 K HN 0.444 nan 8.250 nan 0.000 0.457 8 S N -0.573 115.108 115.700 -0.031 0.000 2.634 8 S HA 0.037 4.505 4.470 -0.003 0.000 0.261 8 S C 1.302 175.902 174.600 0.001 0.000 1.271 8 S CA -0.056 58.135 58.200 -0.014 0.000 0.985 8 S CB 0.871 64.065 63.200 -0.009 0.000 0.968 8 S HN 0.531 nan 8.310 nan 0.000 0.568 9 T N 0.634 115.191 114.554 0.005 0.000 2.867 9 T HA -0.032 4.316 4.350 -0.003 0.000 0.268 9 T C 1.452 176.171 174.700 0.031 0.000 1.057 9 T CA 1.781 63.891 62.100 0.016 0.000 1.136 9 T CB -0.621 68.252 68.868 0.008 0.000 0.874 9 T HN 0.752 nan 8.240 nan 0.000 0.466 10 E N 0.832 121.048 120.200 0.025 0.000 2.107 10 E HA -0.018 4.330 4.350 -0.003 0.000 0.191 10 E C 2.194 178.826 176.600 0.052 0.000 0.982 10 E CA 0.825 57.245 56.400 0.034 0.000 0.809 10 E CB -0.082 29.631 29.700 0.021 0.000 0.756 10 E HN 0.533 nan 8.360 nan 0.000 0.459 11 E N -0.048 120.177 120.200 0.042 0.000 2.058 11 E HA -0.195 4.153 4.350 -0.003 0.000 0.194 11 E C 1.930 178.594 176.600 0.107 0.000 0.997 11 E CA 1.470 57.902 56.400 0.053 0.000 0.801 11 E CB -0.141 29.569 29.700 0.015 0.000 0.746 11 E HN 0.274 nan 8.360 nan 0.000 0.450 12 C N 0.388 119.754 119.300 0.110 0.000 2.425 12 C HA -0.108 4.351 4.460 -0.003 0.000 0.277 12 C C 2.551 177.736 174.990 0.324 0.000 1.280 12 C CA 0.398 59.544 59.018 0.213 0.000 1.744 12 C CB -0.902 26.935 27.740 0.161 0.000 1.989 12 C HN 0.401 nan 8.230 nan 0.000 0.491 13 L N 0.967 122.310 121.223 0.200 0.000 2.056 13 L HA -0.130 4.208 4.340 -0.003 0.000 0.207 13 L C 2.888 179.877 176.870 0.198 0.000 1.078 13 L CA 1.571 56.523 54.840 0.187 0.000 0.749 13 L CB -0.718 41.402 42.059 0.102 0.000 0.901 13 L HN 0.328 nan 8.230 nan 0.000 0.433 14 A N -0.731 122.180 122.820 0.153 0.000 1.877 14 A HA -0.290 4.028 4.320 -0.003 0.000 0.216 14 A C 2.175 179.830 177.584 0.118 0.000 1.186 14 A CA 1.522 53.626 52.037 0.112 0.000 0.620 14 A CB -0.952 18.095 19.000 0.079 0.000 0.822 14 A HN 0.448 nan 8.150 nan 0.000 0.443 15 Y N -0.202 120.118 120.300 0.032 0.000 2.040 15 Y HA -0.299 4.250 4.550 -0.003 0.000 0.275 15 Y C 1.782 177.614 175.900 -0.114 0.000 1.171 15 Y CA 2.408 60.453 58.100 -0.092 0.000 1.123 15 Y CB -0.611 37.722 38.460 -0.211 0.000 0.963 15 Y HN 0.282 nan 8.280 nan 0.000 0.493 16 F N 0.224 120.222 119.950 0.081 0.000 2.811 16 F HA 0.214 4.739 4.527 -0.003 0.000 0.301 16 F C 1.793 177.638 175.800 0.075 0.000 1.151 16 F CA 0.705 58.740 58.000 0.058 0.000 1.412 16 F CB -0.465 38.679 39.000 0.239 0.000 1.113 16 F HN 0.216 nan 8.300 nan 0.000 0.579 17 G N 1.695 110.604 108.800 0.181 0.000 2.338 17 G HA2 -0.198 3.761 3.960 -0.003 0.000 0.296 17 G HA3 -0.198 3.761 3.960 -0.003 0.000 0.296 17 G C -0.295 174.685 174.900 0.133 0.000 1.040 17 G CA 0.363 45.533 45.100 0.117 0.000 1.004 17 G HN 0.355 nan 8.290 nan 0.000 0.509 18 V N -0.125 119.883 119.914 0.157 0.000 2.919 18 V HA 0.900 5.018 4.120 -0.003 0.000 0.316 18 V C 0.492 176.627 176.094 0.068 0.000 1.077 18 V CA 0.042 62.404 62.300 0.104 0.000 0.977 18 V CB 2.275 34.163 31.823 0.108 0.000 1.039 18 V HN 1.174 nan 8.190 nan 0.000 0.441 19 S N 3.071 118.795 115.700 0.040 0.000 2.429 19 S HA 0.387 4.855 4.470 -0.003 0.000 0.302 19 S C 0.630 175.237 174.600 0.012 0.000 1.115 19 S CA -0.262 57.952 58.200 0.023 0.000 1.095 19 S CB 1.410 64.618 63.200 0.013 0.000 0.987 19 S HN 0.894 nan 8.310 nan 0.000 0.474 20 E N 2.447 122.648 120.200 0.003 0.000 2.110 20 E HA -0.194 4.155 4.350 -0.003 0.000 0.193 20 E C 1.707 178.275 176.600 -0.053 0.000 0.988 20 E CA 1.759 58.149 56.400 -0.017 0.000 0.804 20 E CB -0.169 29.518 29.700 -0.021 0.000 0.745 20 E HN 0.926 nan 8.360 nan 0.000 0.458 21 T N -3.271 111.251 114.554 -0.053 0.000 3.088 21 T HA 0.057 4.406 4.350 -0.003 0.000 0.259 21 T C 1.604 176.269 174.700 -0.058 0.000 1.122 21 T CA 1.100 63.151 62.100 -0.083 0.000 1.095 21 T CB 0.334 69.165 68.868 -0.063 0.000 0.930 21 T HN -0.042 nan 8.240 nan 0.000 0.508 22 T N 0.025 114.569 114.554 -0.016 0.000 3.058 22 T HA 0.567 4.916 4.350 -0.003 0.000 0.247 22 T C 0.969 175.697 174.700 0.045 0.000 0.987 22 T CA 0.489 62.597 62.100 0.015 0.000 1.062 22 T CB 0.174 69.048 68.868 0.010 0.000 1.048 22 T HN 0.879 nan 8.240 nan 0.000 0.468 23 G N 1.537 110.359 108.800 0.037 0.000 2.685 23 G HA2 -0.012 3.946 3.960 -0.003 0.000 0.387 23 G HA3 -0.012 3.946 3.960 -0.003 0.000 0.387 23 G C -1.139 173.768 174.900 0.012 0.000 1.324 23 G CA -1.078 44.048 45.100 0.043 0.000 0.878 23 G HN 0.315 nan 8.290 nan 0.000 0.527 24 L N 1.253 122.468 121.223 -0.013 0.000 2.461 24 L HA 0.520 4.859 4.340 -0.003 0.000 0.272 24 L C 1.824 178.668 176.870 -0.044 0.000 1.197 24 L CA 0.633 55.438 54.840 -0.058 0.000 0.836 24 L CB 0.622 42.607 42.059 -0.123 0.000 1.105 24 L HN 1.109 nan 8.230 nan 0.000 0.477 25 T N 0.118 114.639 114.554 -0.054 0.000 2.913 25 T HA 0.340 4.689 4.350 -0.003 0.000 0.287 25 T C -1.852 172.822 174.700 -0.042 0.000 1.008 25 T CA -1.772 60.307 62.100 -0.034 0.000 1.067 25 T CB 1.045 69.898 68.868 -0.025 0.000 0.996 25 T HN 0.426 nan 8.240 nan 0.000 0.513 26 P HA -0.156 nan 4.420 nan 0.000 0.218 26 P C 0.953 178.241 177.300 -0.021 0.000 1.147 26 P CA 1.181 64.270 63.100 -0.018 0.000 0.827 26 P CB 0.069 31.764 31.700 -0.008 0.000 0.778 27 D N -1.126 119.259 120.400 -0.025 0.000 2.085 27 D HA -0.146 4.493 4.640 -0.003 0.000 0.199 27 D C 2.015 178.292 176.300 -0.038 0.000 0.981 27 D CA 1.204 55.192 54.000 -0.019 0.000 0.834 27 D CB -0.518 40.274 40.800 -0.013 0.000 0.992 27 D HN 0.114 nan 8.370 nan 0.000 0.457 28 Q N -0.242 119.507 119.800 -0.085 0.000 2.133 28 Q HA -0.164 4.175 4.340 -0.003 0.000 0.208 28 Q C 2.354 178.189 176.000 -0.277 0.000 0.991 28 Q CA 1.341 57.012 55.803 -0.220 0.000 0.867 28 Q CB -0.123 28.441 28.738 -0.289 0.000 0.911 28 Q HN 0.231 nan 8.270 nan 0.000 0.417 29 V N 1.109 120.936 119.914 -0.145 0.000 2.261 29 V HA -0.290 3.829 4.120 -0.003 0.000 0.246 29 V C 2.081 178.191 176.094 0.026 0.000 1.047 29 V CA 1.956 64.225 62.300 -0.053 0.000 1.015 29 V CB -0.433 31.378 31.823 -0.019 0.000 0.642 29 V HN 0.327 nan 8.190 nan 0.000 0.446 30 K N -0.325 120.084 120.400 0.015 0.000 2.020 30 K HA -0.213 4.105 4.320 -0.003 0.000 0.212 30 K C 2.352 178.983 176.600 0.051 0.000 1.050 30 K CA 1.746 58.053 56.287 0.032 0.000 0.929 30 K CB -0.312 32.199 32.500 0.017 0.000 0.714 30 K HN 0.385 nan 8.250 nan 0.000 0.443 31 R N 0.112 120.649 120.500 0.061 0.000 2.096 31 R HA -0.125 4.214 4.340 -0.003 0.000 0.229 31 R C 2.326 178.727 176.300 0.168 0.000 1.134 31 R CA 1.813 57.971 56.100 0.095 0.000 0.917 31 R CB -0.761 29.613 30.300 0.123 0.000 0.832 31 R HN 0.458 nan 8.270 nan 0.000 0.430 32 H N 0.186 119.304 119.070 0.081 0.000 2.325 32 H HA -0.211 4.343 4.556 -0.003 0.000 0.293 32 H C 2.206 177.639 175.328 0.176 0.000 1.106 32 H CA 1.411 57.579 56.048 0.200 0.000 1.247 32 H CB -0.113 29.829 29.762 0.299 0.000 1.359 32 H HN 0.068 nan 8.280 nan 0.000 0.488 33 L N 1.444 122.811 121.223 0.240 0.000 2.079 33 L HA -0.186 4.152 4.340 -0.003 0.000 0.210 33 L C 2.322 179.192 176.870 -0.000 0.000 1.081 33 L CA 1.848 56.753 54.840 0.109 0.000 0.752 33 L CB -0.558 41.541 42.059 0.068 0.000 0.896 33 L HN 0.196 nan 8.230 nan 0.000 0.433 34 E N -0.347 119.850 120.200 -0.005 0.000 2.046 34 E HA -0.209 4.139 4.350 -0.003 0.000 0.190 34 E C 2.298 178.843 176.600 -0.092 0.000 0.982 34 E CA 1.494 57.861 56.400 -0.055 0.000 0.800 34 E CB -0.220 29.457 29.700 -0.038 0.000 0.756 34 E HN 0.432 nan 8.360 nan 0.000 0.449 35 K N -0.943 119.366 120.400 -0.152 0.000 2.002 35 K HA -0.157 4.161 4.320 -0.003 0.000 0.209 35 K C 1.501 177.900 176.600 -0.335 0.000 1.048 35 K CA 1.607 57.691 56.287 -0.339 0.000 0.930 35 K CB -0.189 31.930 32.500 -0.635 0.000 0.714 35 K HN 0.238 nan 8.250 nan 0.000 0.438 36 Y N -0.187 120.119 120.300 0.010 0.000 2.478 36 Y HA 0.239 4.787 4.550 -0.003 0.000 0.261 36 Y C 1.155 177.054 175.900 -0.002 0.000 1.127 36 Y CA 0.280 58.391 58.100 0.019 0.000 1.288 36 Y CB 0.263 38.754 38.460 0.052 0.000 1.084 36 Y HN 0.356 nan 8.280 nan 0.000 0.530 37 G N 0.183 109.023 108.800 0.066 0.000 2.750 37 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.228 37 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.228 37 G C -0.787 174.082 174.900 -0.052 0.000 1.367 37 G CA -0.611 44.448 45.100 -0.069 0.000 0.871 37 G HN 0.329 nan 8.290 nan 0.000 0.560 38 H N 0.332 119.452 119.070 0.083 0.000 2.629 38 H HA 0.275 4.829 4.556 -0.003 0.000 0.357 38 H C 1.068 176.435 175.328 0.064 0.000 1.121 38 H CA 0.052 56.141 56.048 0.068 0.000 1.406 38 H CB 0.994 30.785 29.762 0.048 0.000 1.456 38 H HN 0.540 nan 8.280 nan 0.000 0.579 39 N N 2.765 121.584 118.700 0.198 0.000 3.103 39 N HA -0.047 4.691 4.740 -0.003 0.000 0.305 39 N C -0.456 175.109 175.510 0.092 0.000 1.232 39 N CA -0.080 53.040 53.050 0.116 0.000 1.190 39 N CB -0.190 38.346 38.487 0.083 0.000 1.461 39 N HN 0.706 nan 8.380 nan 0.000 0.538 40 E N 0.421 120.680 120.200 0.098 0.000 2.454 40 E HA 0.304 4.652 4.350 -0.003 0.000 0.279 40 E C -1.278 175.363 176.600 0.069 0.000 1.029 40 E CA -0.906 55.538 56.400 0.072 0.000 0.831 40 E CB 0.628 30.364 29.700 0.060 0.000 1.405 40 E HN 0.036 nan 8.360 nan 0.000 0.463 41 L N 0.931 122.187 121.223 0.056 0.000 2.357 41 L HA 0.461 4.799 4.340 -0.003 0.000 0.273 41 L C -2.111 174.786 176.870 0.045 0.000 1.080 41 L CA -2.105 52.766 54.840 0.050 0.000 0.803 41 L CB 0.863 42.950 42.059 0.047 0.000 1.174 41 L HN 0.445 nan 8.230 nan 0.000 0.443 42 P HA -0.016 nan 4.420 nan 0.000 0.266 42 P C -0.433 176.884 177.300 0.028 0.000 1.193 42 P CA -0.063 63.059 63.100 0.036 0.000 0.770 42 P CB 0.477 32.196 31.700 0.032 0.000 0.836 43 A N 2.529 125.364 122.820 0.025 0.000 2.455 43 A HA 0.062 4.381 4.320 -0.003 0.000 0.244 43 A C 0.353 177.944 177.584 0.012 0.000 1.099 43 A CA -0.029 52.018 52.037 0.016 0.000 0.786 43 A CB -0.176 18.833 19.000 0.015 0.000 1.051 43 A HN 0.592 nan 8.150 nan 0.000 0.508 44 E N -0.015 120.189 120.200 0.006 0.000 2.314 44 E HA 0.356 4.704 4.350 -0.003 0.000 0.262 44 E C -0.924 175.678 176.600 0.003 0.000 1.093 44 E CA -0.520 55.882 56.400 0.003 0.000 0.908 44 E CB 0.655 30.352 29.700 -0.004 0.000 1.091 44 E HN 0.465 nan 8.360 nan 0.000 0.425 45 E N 0.994 121.196 120.200 0.003 0.000 2.683 45 E HA 0.225 4.573 4.350 -0.003 0.000 0.224 45 E C -0.784 175.816 176.600 0.000 0.000 1.046 45 E CA -0.273 56.130 56.400 0.004 0.000 0.811 45 E CB 1.200 30.904 29.700 0.006 0.000 1.296 45 E HN 0.674 nan 8.360 nan 0.000 0.421 46 G N 2.898 111.697 108.800 -0.002 0.000 4.232 46 G HA2 0.096 4.054 3.960 -0.003 0.000 0.304 46 G HA3 0.096 4.054 3.960 -0.003 0.000 0.304 46 G C 0.362 175.262 174.900 -0.000 0.000 1.295 46 G CA -0.483 44.614 45.100 -0.006 0.000 1.398 46 G HN 0.085 nan 8.290 nan 0.000 0.571 47 K N 0.998 121.402 120.400 0.007 0.000 2.604 47 K HA -0.064 4.255 4.320 -0.003 0.000 0.278 47 K C 0.831 177.445 176.600 0.022 0.000 0.975 47 K CA 0.387 56.685 56.287 0.018 0.000 1.066 47 K CB 0.397 32.907 32.500 0.017 0.000 0.840 47 K HN 0.370 nan 8.250 nan 0.000 0.491 48 S N 1.816 117.543 115.700 0.044 0.000 2.598 48 S HA -0.009 4.459 4.470 -0.003 0.000 0.256 48 S C 1.935 176.574 174.600 0.066 0.000 1.350 48 S CA -0.537 57.699 58.200 0.060 0.000 0.984 48 S CB 0.337 63.594 63.200 0.094 0.000 0.930 48 S HN 0.447 nan 8.310 nan 0.000 0.577 49 L N 0.508 121.777 121.223 0.077 0.000 2.131 49 L HA -0.130 4.208 4.340 -0.003 0.000 0.210 49 L C 2.263 179.183 176.870 0.084 0.000 1.092 49 L CA 1.285 56.165 54.840 0.067 0.000 0.759 49 L CB -0.377 41.728 42.059 0.076 0.000 0.903 49 L HN 0.750 nan 8.230 nan 0.000 0.435 50 W N 1.982 123.260 121.300 -0.036 0.000 2.358 50 W HA -0.193 4.465 4.660 -0.003 0.000 0.303 50 W C 2.008 178.502 176.519 -0.042 0.000 1.208 50 W CA 1.697 59.013 57.345 -0.049 0.000 1.274 50 W CB 0.058 29.491 29.460 -0.044 0.000 1.138 50 W HN 0.255 nan 8.180 nan 0.000 0.515 51 E N 0.505 120.709 120.200 0.007 0.000 2.274 51 E HA -0.176 4.173 4.350 -0.003 0.000 0.194 51 E C 2.251 178.784 176.600 -0.112 0.000 0.996 51 E CA 0.841 57.196 56.400 -0.075 0.000 0.840 51 E CB -0.311 29.405 29.700 0.027 0.000 0.772 51 E HN 0.348 nan 8.360 nan 0.000 0.491 52 L N 0.334 121.509 121.223 -0.079 0.000 1.982 52 L HA -0.170 4.168 4.340 -0.003 0.000 0.206 52 L C 2.445 179.254 176.870 -0.103 0.000 1.078 52 L CA 0.819 55.623 54.840 -0.061 0.000 0.749 52 L CB -0.466 41.580 42.059 -0.022 0.000 0.894 52 L HN 0.013 nan 8.230 nan 0.000 0.436 53 V N 0.450 120.268 119.914 -0.160 0.000 2.313 53 V HA -0.384 3.735 4.120 -0.003 0.000 0.253 53 V C 2.327 178.247 176.094 -0.290 0.000 1.070 53 V CA 2.162 64.323 62.300 -0.232 0.000 1.057 53 V CB -0.574 31.012 31.823 -0.395 0.000 0.653 53 V HN 0.364 nan 8.190 nan 0.000 0.450 54 I N -0.344 119.957 120.570 -0.449 0.000 2.248 54 I HA -0.284 3.884 4.170 -0.003 0.000 0.248 54 I C 2.543 178.583 176.117 -0.128 0.000 1.107 54 I CA 1.786 62.853 61.300 -0.388 0.000 1.373 54 I CB -0.350 37.366 38.000 -0.473 0.000 1.055 54 I HN 0.476 nan 8.210 nan 0.000 0.418 55 E N 0.003 120.152 120.200 -0.085 0.000 2.158 55 E HA -0.161 4.187 4.350 -0.003 0.000 0.191 55 E C 1.925 178.548 176.600 0.038 0.000 0.982 55 E CA 0.471 56.859 56.400 -0.020 0.000 0.823 55 E CB 0.003 29.688 29.700 -0.024 0.000 0.766 55 E HN 0.440 nan 8.360 nan 0.000 0.468 56 Q N -0.433 119.420 119.800 0.089 0.000 2.508 56 Q HA -0.076 4.262 4.340 -0.003 0.000 0.214 56 Q C 0.360 176.520 176.000 0.267 0.000 0.979 56 Q CA 0.877 56.782 55.803 0.171 0.000 0.911 56 Q CB 0.065 28.944 28.738 0.236 0.000 0.969 56 Q HN 0.248 nan 8.270 nan 0.000 0.504 57 F N -0.934 118.948 119.950 -0.113 0.000 2.815 57 F HA 0.226 4.751 4.527 -0.003 0.000 0.335 57 F C 1.336 177.077 175.800 -0.098 0.000 1.179 57 F CA -0.638 57.296 58.000 -0.110 0.000 1.204 57 F CB 0.577 39.493 39.000 -0.140 0.000 1.050 57 F HN 0.024 nan 8.300 nan 0.000 0.510 58 E N 0.000 120.223 120.200 0.038 0.000 2.489 58 E HA 0.001 4.350 4.350 -0.003 0.000 0.204 58 E C -0.048 176.536 176.600 -0.026 0.000 1.006 58 E CA -0.009 56.391 56.400 0.000 0.000 0.936 58 E CB 0.366 30.062 29.700 -0.006 0.000 1.002 58 E HN 0.310 nan 8.360 nan 0.000 0.488 59 D N 0.177 120.547 120.400 -0.050 0.000 2.389 59 D HA -0.053 4.586 4.640 -0.003 0.000 0.247 59 D C 1.069 177.324 176.300 -0.076 0.000 1.128 59 D CA -0.209 53.753 54.000 -0.062 0.000 0.884 59 D CB 1.125 41.877 40.800 -0.080 0.000 1.194 59 D HN 0.044 nan 8.370 nan 0.000 0.441 60 L N 4.137 125.320 121.223 -0.067 0.000 2.131 60 L HA -0.078 4.261 4.340 -0.003 0.000 0.210 60 L C 1.553 178.365 176.870 -0.097 0.000 1.092 60 L CA 1.608 56.403 54.840 -0.076 0.000 0.759 60 L CB -0.316 41.698 42.059 -0.075 0.000 0.903 60 L HN 0.680 nan 8.230 nan 0.000 0.435 61 L N -2.238 118.922 121.223 -0.105 0.000 2.068 61 L HA -0.106 4.233 4.340 -0.003 0.000 0.204 61 L C 2.525 179.313 176.870 -0.138 0.000 1.076 61 L CA 1.013 55.784 54.840 -0.115 0.000 0.753 61 L CB -0.807 41.194 42.059 -0.096 0.000 0.910 61 L HN 0.139 nan 8.230 nan 0.000 0.439 62 V N 0.277 120.088 119.914 -0.171 0.000 2.568 62 V HA -0.271 3.847 4.120 -0.003 0.000 0.253 62 V C 2.695 178.631 176.094 -0.263 0.000 1.072 62 V CA 1.679 63.814 62.300 -0.276 0.000 1.084 62 V CB -0.383 31.205 31.823 -0.393 0.000 0.676 62 V HN 0.392 nan 8.190 nan 0.000 0.469 63 R N -0.422 119.978 120.500 -0.166 0.000 2.055 63 R HA 0.010 4.349 4.340 -0.003 0.000 0.228 63 R C 2.283 178.525 176.300 -0.097 0.000 1.143 63 R CA 1.905 57.941 56.100 -0.107 0.000 0.945 63 R CB -0.480 29.780 30.300 -0.066 0.000 0.841 63 R HN 0.455 nan 8.270 nan 0.000 0.429 64 I N 1.430 121.943 120.570 -0.095 0.000 2.229 64 I HA -0.349 3.820 4.170 -0.003 0.000 0.250 64 I C 2.375 178.439 176.117 -0.087 0.000 1.096 64 I CA 1.409 62.658 61.300 -0.085 0.000 1.358 64 I CB -0.300 37.647 38.000 -0.089 0.000 1.047 64 I HN 0.256 nan 8.210 nan 0.000 0.422 65 L N -0.417 120.741 121.223 -0.109 0.000 2.056 65 L HA -0.216 4.123 4.340 -0.003 0.000 0.207 65 L C 2.565 179.377 176.870 -0.096 0.000 1.078 65 L CA 0.978 55.755 54.840 -0.106 0.000 0.749 65 L CB -0.394 41.583 42.059 -0.137 0.000 0.901 65 L HN 0.273 nan 8.230 nan 0.000 0.433 66 L N -0.089 121.071 121.223 -0.105 0.000 1.989 66 L HA -0.255 4.084 4.340 -0.003 0.000 0.211 66 L C 2.408 179.253 176.870 -0.041 0.000 1.071 66 L CA 1.620 56.428 54.840 -0.053 0.000 0.749 66 L CB -0.588 41.471 42.059 -0.000 0.000 0.890 66 L HN 0.113 nan 8.230 nan 0.000 0.431 67 L N -0.266 120.927 121.223 -0.050 0.000 1.990 67 L HA -0.197 4.141 4.340 -0.003 0.000 0.213 67 L C 2.531 179.359 176.870 -0.069 0.000 1.072 67 L CA 2.263 57.068 54.840 -0.058 0.000 0.755 67 L CB -1.161 40.860 42.059 -0.064 0.000 0.889 67 L HN 0.306 nan 8.230 nan 0.000 0.432 68 A N -0.544 122.237 122.820 -0.066 0.000 1.917 68 A HA -0.198 4.120 4.320 -0.003 0.000 0.219 68 A C 2.465 180.021 177.584 -0.046 0.000 1.182 68 A CA 2.232 54.233 52.037 -0.060 0.000 0.633 68 A CB -1.321 17.649 19.000 -0.050 0.000 0.819 68 A HN 0.628 nan 8.150 nan 0.000 0.448 69 A N -1.189 121.607 122.820 -0.040 0.000 1.940 69 A HA -0.190 4.128 4.320 -0.003 0.000 0.219 69 A C 2.341 179.928 177.584 0.006 0.000 1.176 69 A CA 1.751 53.774 52.037 -0.023 0.000 0.631 69 A CB -1.282 17.693 19.000 -0.041 0.000 0.814 69 A HN 0.609 nan 8.150 nan 0.000 0.446 70 C N -0.649 118.646 119.300 -0.007 0.000 2.442 70 C HA -0.082 4.376 4.460 -0.003 0.000 0.279 70 C C 2.581 177.569 174.990 -0.003 0.000 1.237 70 C CA 0.969 60.007 59.018 0.033 0.000 1.722 70 C CB -1.315 26.421 27.740 -0.005 0.000 2.056 70 C HN 0.649 nan 8.230 nan 0.000 0.469 71 I N 0.751 121.262 120.570 -0.099 0.000 2.145 71 I HA -0.265 3.903 4.170 -0.003 0.000 0.244 71 I C 2.696 178.731 176.117 -0.137 0.000 1.075 71 I CA 2.074 63.259 61.300 -0.191 0.000 1.332 71 I CB -0.758 37.097 38.000 -0.242 0.000 1.033 71 I HN 0.375 nan 8.210 nan 0.000 0.410 72 S N 0.801 116.467 115.700 -0.056 0.000 2.356 72 S HA -0.232 4.236 4.470 -0.003 0.000 0.223 72 S C 2.079 176.677 174.600 -0.002 0.000 1.032 72 S CA 1.336 59.526 58.200 -0.017 0.000 1.005 72 S CB -0.488 62.725 63.200 0.022 0.000 0.867 72 S HN 0.452 nan 8.310 nan 0.000 0.449 73 F N 2.300 122.167 119.950 -0.137 0.000 2.161 73 F HA -0.042 4.484 4.527 -0.003 0.000 0.300 73 F C 2.027 177.734 175.800 -0.155 0.000 1.089 73 F CA 1.400 59.285 58.000 -0.193 0.000 1.282 73 F CB -0.751 38.119 39.000 -0.217 0.000 1.010 73 F HN 0.092 nan 8.300 nan 0.000 0.485 74 V N 0.717 120.408 119.914 -0.372 0.000 2.358 74 V HA -0.285 3.833 4.120 -0.003 0.000 0.246 74 V C 2.523 178.182 176.094 -0.726 0.000 1.047 74 V CA 1.902 63.874 62.300 -0.547 0.000 1.035 74 V CB -0.696 30.880 31.823 -0.412 0.000 0.658 74 V HN 0.372 nan 8.190 nan 0.000 0.452 75 L N 0.271 121.179 121.223 -0.526 0.000 2.141 75 L HA -0.047 4.292 4.340 -0.003 0.000 0.209 75 L C 2.435 179.238 176.870 -0.111 0.000 1.094 75 L CA 1.203 55.786 54.840 -0.428 0.000 0.763 75 L CB -0.666 41.294 42.059 -0.164 0.000 0.908 75 L HN 0.346 nan 8.230 nan 0.000 0.437 76 A N -1.392 121.427 122.820 -0.003 0.000 2.264 76 A HA -0.195 4.124 4.320 -0.003 0.000 0.207 76 A C 1.817 179.696 177.584 0.492 0.000 1.196 76 A CA 0.538 52.736 52.037 0.268 0.000 0.778 76 A CB -0.636 18.584 19.000 0.368 0.000 0.779 76 A HN 0.743 nan 8.150 nan 0.000 0.483 77 W N -1.814 119.554 121.300 0.112 0.000 2.324 77 W HA 0.205 4.863 4.660 -0.002 0.000 0.316 77 W C -0.333 176.381 176.519 0.324 0.000 0.927 77 W CA -0.017 57.446 57.345 0.196 0.000 1.438 77 W CB 0.391 29.916 29.460 0.109 0.000 1.085 77 W HN 0.257 nan 8.180 nan 0.000 0.532 78 F N 2.414 122.409 119.950 0.075 0.000 2.710 78 F HA 0.075 4.601 4.527 -0.003 0.000 0.298 78 F C 1.317 177.077 175.800 -0.067 0.000 1.137 78 F CA 0.805 58.810 58.000 0.009 0.000 1.444 78 F CB -0.410 38.626 39.000 0.060 0.000 1.111 78 F HN -0.126 nan 8.300 nan 0.000 0.580 79 E N -0.141 120.102 120.200 0.072 0.000 2.299 79 E HA 0.209 4.558 4.350 -0.003 0.000 0.265 79 E C -0.486 176.049 176.600 -0.108 0.000 0.911 79 E CA -0.933 55.459 56.400 -0.013 0.000 0.789 79 E CB 1.254 30.968 29.700 0.023 0.000 1.246 79 E HN -0.168 nan 8.360 nan 0.000 0.427 80 E N 0.738 120.878 120.200 -0.099 0.000 2.604 80 E HA -0.008 4.340 4.350 -0.003 0.000 0.267 80 E C 1.170 177.684 176.600 -0.143 0.000 0.970 80 E CA 1.258 57.583 56.400 -0.124 0.000 0.956 80 E CB 0.471 30.122 29.700 -0.083 0.000 0.939 80 E HN 0.691 nan 8.360 nan 0.000 0.465 81 G N 3.902 112.596 108.800 -0.177 0.000 2.639 81 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.216 81 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.216 81 G C 1.033 175.844 174.900 -0.149 0.000 1.267 81 G CA 1.156 46.141 45.100 -0.192 0.000 0.801 81 G HN 0.624 nan 8.290 nan 0.000 0.592 82 E N 0.177 120.310 120.200 -0.112 0.000 2.021 82 E HA -0.129 4.220 4.350 -0.003 0.000 0.200 82 E C 2.393 178.948 176.600 -0.075 0.000 1.015 82 E CA 1.255 57.603 56.400 -0.088 0.000 0.824 82 E CB -0.320 29.340 29.700 -0.067 0.000 0.762 82 E HN 0.457 nan 8.360 nan 0.000 0.454 83 E N 0.366 120.529 120.200 -0.061 0.000 2.209 83 E HA -0.196 4.153 4.350 -0.003 0.000 0.196 83 E C 1.984 178.554 176.600 -0.049 0.000 0.993 83 E CA 1.831 58.203 56.400 -0.048 0.000 0.819 83 E CB -0.158 29.521 29.700 -0.036 0.000 0.745 83 E HN 0.474 nan 8.360 nan 0.000 0.477 84 T N -1.083 113.435 114.554 -0.060 0.000 2.896 84 T HA -0.120 4.229 4.350 -0.003 0.000 0.263 84 T C 2.017 176.683 174.700 -0.058 0.000 1.050 84 T CA 0.826 62.895 62.100 -0.051 0.000 1.140 84 T CB -0.418 68.416 68.868 -0.057 0.000 0.877 84 T HN 0.116 nan 8.240 nan 0.000 0.457 85 I N 3.303 123.818 120.570 -0.092 0.000 2.811 85 I HA -0.405 3.763 4.170 -0.003 0.000 0.229 85 I C 2.347 178.431 176.117 -0.055 0.000 0.854 85 I CA 2.594 63.831 61.300 -0.104 0.000 1.230 85 I CB -1.275 36.674 38.000 -0.086 0.000 0.953 85 I HN 0.684 nan 8.210 nan 0.000 0.389 86 T N -1.265 113.273 114.554 -0.026 0.000 3.007 86 T HA 0.087 4.435 4.350 -0.003 0.000 0.270 86 T C 1.217 175.961 174.700 0.073 0.000 1.107 86 T CA 0.543 62.645 62.100 0.003 0.000 1.118 86 T CB -0.894 67.941 68.868 -0.055 0.000 0.889 86 T HN 0.609 nan 8.240 nan 0.000 0.506 87 A N 0.188 123.064 122.820 0.094 0.000 3.051 87 A HA 0.570 4.888 4.320 -0.003 0.000 0.257 87 A C 0.286 178.153 177.584 0.473 0.000 1.785 87 A CA -0.402 51.748 52.037 0.188 0.000 1.420 87 A CB -1.258 17.825 19.000 0.137 0.000 1.063 87 A HN 0.503 nan 8.150 nan 0.000 0.630 88 F N -0.844 119.168 119.950 0.102 0.000 3.196 88 F HA 0.073 4.599 4.527 -0.003 0.000 0.379 88 F C 1.300 177.209 175.800 0.183 0.000 1.175 88 F CA -0.012 58.091 58.000 0.172 0.000 0.940 88 F CB 0.290 39.382 39.000 0.152 0.000 1.548 88 F HN 0.145 nan 8.300 nan 0.000 0.508 89 V N -0.327 119.762 119.914 0.293 0.000 2.379 89 V HA -0.134 3.985 4.120 -0.003 0.000 0.243 89 V C 2.216 178.445 176.094 0.225 0.000 1.035 89 V CA 2.136 64.586 62.300 0.250 0.000 1.035 89 V CB -0.102 31.795 31.823 0.123 0.000 0.673 89 V HN 0.261 nan 8.190 nan 0.000 0.457 90 E N 0.636 120.928 120.200 0.153 0.000 2.033 90 E HA -0.209 4.140 4.350 -0.003 0.000 0.199 90 E C -0.238 176.426 176.600 0.107 0.000 1.011 90 E CA 2.127 58.594 56.400 0.112 0.000 0.815 90 E CB -0.797 28.952 29.700 0.081 0.000 0.755 90 E HN 0.491 nan 8.360 nan 0.000 0.451 91 P HA -0.172 nan 4.420 nan 0.000 0.217 91 P C 1.419 178.760 177.300 0.069 0.000 1.150 91 P CA 1.106 64.251 63.100 0.074 0.000 0.832 91 P CB -0.235 31.525 31.700 0.100 0.000 0.787 92 F N 1.284 121.228 119.950 -0.010 0.000 2.171 92 F HA -0.148 4.378 4.527 -0.003 0.000 0.300 92 F C 2.065 177.876 175.800 0.019 0.000 1.090 92 F CA 1.146 59.141 58.000 -0.007 0.000 1.293 92 F CB -0.967 38.059 39.000 0.043 0.000 1.013 92 F HN -0.312 nan 8.300 nan 0.000 0.486 93 V N 0.957 120.846 119.914 -0.041 0.000 2.244 93 V HA -0.314 3.804 4.120 -0.003 0.000 0.244 93 V C 2.494 178.501 176.094 -0.144 0.000 1.042 93 V CA 2.149 64.382 62.300 -0.112 0.000 1.006 93 V CB -0.766 31.099 31.823 0.069 0.000 0.641 93 V HN 0.330 nan 8.190 nan 0.000 0.446 94 I N -0.050 120.477 120.570 -0.071 0.000 2.091 94 I HA -0.361 3.808 4.170 -0.003 0.000 0.240 94 I C 2.463 178.506 176.117 -0.123 0.000 1.046 94 I CA 2.004 63.257 61.300 -0.079 0.000 1.306 94 I CB -0.612 37.356 38.000 -0.053 0.000 1.018 94 I HN 0.264 nan 8.210 nan 0.000 0.404 95 L N 0.152 121.290 121.223 -0.141 0.000 2.021 95 L HA -0.277 4.061 4.340 -0.003 0.000 0.215 95 L C 2.647 179.413 176.870 -0.173 0.000 1.074 95 L CA 1.558 56.316 54.840 -0.137 0.000 0.760 95 L CB -0.822 41.149 42.059 -0.147 0.000 0.889 95 L HN 0.310 nan 8.230 nan 0.000 0.433 96 L N -0.266 120.763 121.223 -0.323 0.000 1.956 96 L HA -0.303 4.036 4.340 -0.003 0.000 0.216 96 L C 2.562 179.338 176.870 -0.157 0.000 1.073 96 L CA 1.672 56.334 54.840 -0.297 0.000 0.762 96 L CB -0.578 41.237 42.059 -0.408 0.000 0.889 96 L HN 0.180 nan 8.230 nan 0.000 0.433 97 I N -0.375 120.108 120.570 -0.145 0.000 2.093 97 I HA -0.430 3.738 4.170 -0.003 0.000 0.239 97 I C 2.524 178.580 176.117 -0.102 0.000 1.026 97 I CA 1.805 63.039 61.300 -0.109 0.000 1.295 97 I CB -0.491 37.447 38.000 -0.103 0.000 1.007 97 I HN 0.242 nan 8.210 nan 0.000 0.401 98 L N 0.105 121.256 121.223 -0.119 0.000 1.941 98 L HA -0.309 4.029 4.340 -0.003 0.000 0.224 98 L C 2.610 179.481 176.870 0.002 0.000 1.081 98 L CA 1.500 56.249 54.840 -0.152 0.000 0.784 98 L CB -0.847 41.099 42.059 -0.188 0.000 0.894 98 L HN 0.269 nan 8.230 nan 0.000 0.436 99 I N 0.346 120.970 120.570 0.090 0.000 2.147 99 I HA -0.402 3.767 4.170 -0.003 0.000 0.245 99 I C 2.868 179.019 176.117 0.057 0.000 1.059 99 I CA 2.095 63.460 61.300 0.109 0.000 1.320 99 I CB -1.664 36.349 38.000 0.022 0.000 1.021 99 I HN 0.353 nan 8.210 nan 0.000 0.415 100 A N 1.041 123.859 122.820 -0.004 0.000 1.892 100 A HA -0.250 4.068 4.320 -0.003 0.000 0.218 100 A C 2.109 179.695 177.584 0.003 0.000 1.188 100 A CA 2.163 54.191 52.037 -0.015 0.000 0.631 100 A CB -0.791 18.181 19.000 -0.046 0.000 0.822 100 A HN 0.509 nan 8.150 nan 0.000 0.447 101 N N 0.419 119.115 118.700 -0.007 0.000 2.104 101 N HA -0.148 4.590 4.740 -0.003 0.000 0.190 101 N C 1.915 177.456 175.510 0.053 0.000 1.024 101 N CA 1.649 54.697 53.050 -0.003 0.000 0.853 101 N CB -0.663 37.791 38.487 -0.054 0.000 1.008 101 N HN 0.494 nan 8.380 nan 0.000 0.424 102 A N 1.331 124.224 122.820 0.122 0.000 1.940 102 A HA -0.083 4.236 4.320 -0.003 0.000 0.219 102 A C 2.265 179.910 177.584 0.102 0.000 1.176 102 A CA 0.960 53.100 52.037 0.173 0.000 0.631 102 A CB -0.680 18.489 19.000 0.282 0.000 0.814 102 A HN 0.260 nan 8.150 nan 0.000 0.446 103 I N -0.751 119.869 120.570 0.083 0.000 2.614 103 I HA -0.156 4.012 4.170 -0.003 0.000 0.258 103 I C 2.125 178.305 176.117 0.106 0.000 1.189 103 I CA 0.542 61.892 61.300 0.083 0.000 1.462 103 I CB -0.183 37.844 38.000 0.044 0.000 1.092 103 I HN 0.147 nan 8.210 nan 0.000 0.442 104 V N 0.895 120.856 119.914 0.079 0.000 2.273 104 V HA -0.093 4.026 4.120 -0.003 0.000 0.242 104 V C 2.656 178.818 176.094 0.113 0.000 1.035 104 V CA 2.057 64.409 62.300 0.087 0.000 1.013 104 V CB -1.225 30.623 31.823 0.042 0.000 0.652 104 V HN 0.499 nan 8.190 nan 0.000 0.452 105 G N -0.369 108.480 108.800 0.082 0.000 2.469 105 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.220 105 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.220 105 G C 1.788 176.733 174.900 0.075 0.000 1.136 105 G CA 1.427 46.568 45.100 0.068 0.000 0.759 105 G HN 0.382 nan 8.290 nan 0.000 0.562 106 V N -0.273 119.699 119.914 0.097 0.000 2.270 106 V HA -0.036 4.082 4.120 -0.003 0.000 0.245 106 V C 2.117 178.276 176.094 0.108 0.000 1.043 106 V CA 1.951 64.304 62.300 0.089 0.000 1.014 106 V CB -0.336 31.550 31.823 0.105 0.000 0.645 106 V HN 0.616 nan 8.190 nan 0.000 0.447 107 W N 0.307 121.610 121.300 0.005 0.000 2.436 107 W HA -0.121 4.538 4.660 -0.003 0.000 0.284 107 W C 2.310 178.831 176.519 0.002 0.000 1.225 107 W CA 1.866 59.213 57.345 0.003 0.000 1.271 107 W CB -0.102 29.359 29.460 0.003 0.000 1.114 107 W HN 0.501 nan 8.180 nan 0.000 0.559 108 Q N 1.076 121.000 119.800 0.206 0.000 1.891 108 Q HA -0.272 4.066 4.340 -0.003 0.000 0.214 108 Q C 2.276 178.295 176.000 0.033 0.000 0.995 108 Q CA 2.464 58.340 55.803 0.121 0.000 0.866 108 Q CB -1.091 27.702 28.738 0.092 0.000 0.931 108 Q HN 0.016 nan 8.270 nan 0.000 0.422 109 E N 0.441 120.651 120.200 0.016 0.000 2.058 109 E HA -0.262 4.087 4.350 -0.003 0.000 0.194 109 E C 2.109 178.674 176.600 -0.057 0.000 0.997 109 E CA 1.566 57.958 56.400 -0.014 0.000 0.801 109 E CB -0.345 29.351 29.700 -0.006 0.000 0.746 109 E HN 0.410 nan 8.360 nan 0.000 0.450 110 R N 0.122 120.564 120.500 -0.096 0.000 2.170 110 R HA -0.123 4.216 4.340 -0.003 0.000 0.242 110 R C 1.129 177.304 176.300 -0.208 0.000 1.145 110 R CA 1.564 57.563 56.100 -0.168 0.000 0.984 110 R CB -0.035 30.114 30.300 -0.252 0.000 0.869 110 R HN 0.134 nan 8.270 nan 0.000 0.455 111 N N -0.266 118.313 118.700 -0.202 0.000 2.236 111 N HA 0.081 4.820 4.740 -0.003 0.000 0.196 111 N C 0.089 175.551 175.510 -0.081 0.000 1.114 111 N CA 0.469 53.418 53.050 -0.169 0.000 0.859 111 N CB 0.834 39.218 38.487 -0.172 0.000 0.982 111 N HN 0.195 nan 8.380 nan 0.000 0.493 112 A N 1.737 124.520 122.820 -0.061 0.000 2.311 112 A HA 0.337 4.656 4.320 -0.003 0.000 0.272 112 A C 0.238 177.800 177.584 -0.036 0.000 1.438 112 A CA 0.023 52.040 52.037 -0.033 0.000 0.819 112 A CB 0.201 19.188 19.000 -0.023 0.000 1.336 112 A HN 0.340 nan 8.150 nan 0.000 0.528 113 E N -0.319 119.867 120.200 -0.025 0.000 2.677 113 E HA 0.171 4.520 4.350 -0.003 0.000 0.330 113 E C -1.892 174.699 176.600 -0.015 0.000 0.933 113 E CA -0.906 55.480 56.400 -0.024 0.000 0.797 113 E CB 0.151 29.836 29.700 -0.025 0.000 1.326 113 E HN 0.465 nan 8.360 nan 0.000 0.404 114 N N 1.505 120.197 118.700 -0.014 0.000 2.513 114 N HA 0.181 4.919 4.740 -0.003 0.000 0.268 114 N C 0.817 176.327 175.510 -0.001 0.000 1.180 114 N CA 0.406 53.453 53.050 -0.006 0.000 0.948 114 N CB 1.371 39.855 38.487 -0.005 0.000 1.083 114 N HN 0.709 nan 8.380 nan 0.000 0.455 115 A N 2.361 125.185 122.820 0.006 0.000 2.067 115 A HA -0.059 4.259 4.320 -0.003 0.000 0.219 115 A C 1.924 179.523 177.584 0.025 0.000 1.158 115 A CA 0.778 52.825 52.037 0.017 0.000 0.661 115 A CB -0.482 18.529 19.000 0.019 0.000 0.801 115 A HN 0.738 nan 8.150 nan 0.000 0.452 116 I N -0.561 120.020 120.570 0.018 0.000 2.353 116 I HA -0.204 3.964 4.170 -0.003 0.000 0.248 116 I C 2.496 178.624 176.117 0.019 0.000 1.119 116 I CA 1.532 62.846 61.300 0.024 0.000 1.417 116 I CB -0.337 37.673 38.000 0.017 0.000 1.078 116 I HN 0.570 nan 8.210 nan 0.000 0.421 117 E N 2.032 122.234 120.200 0.004 0.000 2.153 117 E HA -0.239 4.110 4.350 -0.003 0.000 0.194 117 E C 2.222 178.807 176.600 -0.025 0.000 0.988 117 E CA 1.332 57.726 56.400 -0.010 0.000 0.811 117 E CB 0.019 29.707 29.700 -0.020 0.000 0.746 117 E HN 0.464 nan 8.360 nan 0.000 0.466 118 A N 1.210 124.017 122.820 -0.021 0.000 1.972 118 A HA -0.105 4.214 4.320 -0.003 0.000 0.219 118 A C 2.208 179.751 177.584 -0.068 0.000 1.169 118 A CA 0.942 52.947 52.037 -0.054 0.000 0.635 118 A CB -0.558 18.433 19.000 -0.014 0.000 0.810 118 A HN 0.330 nan 8.150 nan 0.000 0.446 119 L N -0.648 120.610 121.223 0.059 0.000 2.083 119 L HA -0.197 4.141 4.340 -0.003 0.000 0.209 119 L C 2.274 179.220 176.870 0.125 0.000 1.083 119 L CA 1.547 56.510 54.840 0.205 0.000 0.752 119 L CB -0.378 41.776 42.059 0.158 0.000 0.899 119 L HN 0.336 nan 8.230 nan 0.000 0.433 120 K N -0.243 120.169 120.400 0.020 0.000 2.515 120 K HA -0.112 4.207 4.320 -0.003 0.000 0.196 120 K C 1.419 177.978 176.600 -0.068 0.000 1.038 120 K CA 0.497 56.783 56.287 -0.000 0.000 0.967 120 K CB 0.027 32.522 32.500 -0.008 0.000 0.780 120 K HN 0.240 nan 8.250 nan 0.000 0.483 121 E N -0.242 119.834 120.200 -0.207 0.000 2.511 121 E HA -0.083 4.265 4.350 -0.003 0.000 0.196 121 E C 0.532 176.915 176.600 -0.362 0.000 1.066 121 E CA 0.756 56.970 56.400 -0.311 0.000 0.871 121 E CB 0.124 29.557 29.700 -0.445 0.000 0.863 121 E HN 0.420 nan 8.360 nan 0.000 0.520 122 Y N 0.601 120.905 120.300 0.007 0.000 2.449 122 Y HA 0.199 4.748 4.550 -0.003 0.000 0.254 122 Y C 0.342 176.250 175.900 0.014 0.000 1.140 122 Y CA -0.313 57.794 58.100 0.012 0.000 1.272 122 Y CB 0.524 38.992 38.460 0.014 0.000 1.114 122 Y HN -0.095 nan 8.280 nan 0.000 0.525 123 E N 3.702 123.973 120.200 0.117 0.000 2.052 123 E HA 0.160 4.508 4.350 -0.003 0.000 0.283 123 E C -2.366 174.262 176.600 0.046 0.000 1.071 123 E CA -2.039 54.408 56.400 0.078 0.000 0.851 123 E CB 0.461 30.194 29.700 0.054 0.000 1.066 123 E HN 0.068 nan 8.360 nan 0.000 0.396 124 P HA -0.045 nan 4.420 nan 0.000 0.271 124 P C 0.256 177.563 177.300 0.013 0.000 1.216 124 P CA 0.118 63.234 63.100 0.027 0.000 0.776 124 P CB 1.305 33.022 31.700 0.030 0.000 0.881 125 E N 2.102 122.303 120.200 0.002 0.000 2.150 125 E HA -0.085 4.263 4.350 -0.003 0.000 0.193 125 E C 0.232 176.826 176.600 -0.010 0.000 0.985 125 E CA 0.902 57.298 56.400 -0.007 0.000 0.814 125 E CB 0.106 29.799 29.700 -0.012 0.000 0.752 125 E HN 0.351 nan 8.360 nan 0.000 0.466 126 M N -0.511 119.084 119.600 -0.008 0.000 2.716 126 M HA 0.545 5.023 4.480 -0.003 0.000 0.307 126 M C 0.278 176.570 176.300 -0.013 0.000 1.223 126 M CA -0.676 54.615 55.300 -0.015 0.000 0.871 126 M CB 1.518 34.107 32.600 -0.019 0.000 1.739 126 M HN 0.035 nan 8.290 nan 0.000 0.475 127 G N 0.717 109.503 108.800 -0.023 0.000 2.866 127 G HA2 0.779 4.737 3.960 -0.003 0.000 0.289 127 G HA3 0.779 4.737 3.960 -0.003 0.000 0.289 127 G C -1.652 173.217 174.900 -0.051 0.000 1.396 127 G CA -0.713 44.371 45.100 -0.028 0.000 0.848 127 G HN 0.529 nan 8.290 nan 0.000 0.515 128 K N 0.038 120.399 120.400 -0.066 0.000 2.541 128 K HA 0.572 4.890 4.320 -0.003 0.000 0.250 128 K C -0.723 175.785 176.600 -0.154 0.000 0.950 128 K CA -0.675 55.540 56.287 -0.120 0.000 0.805 128 K CB 2.444 34.875 32.500 -0.115 0.000 1.166 128 K HN 0.611 nan 8.250 nan 0.000 0.430 129 V N -0.753 119.031 119.914 -0.216 0.000 3.126 129 V HA 0.612 4.731 4.120 -0.003 0.000 0.314 129 V C -1.370 174.491 176.094 -0.389 0.000 1.138 129 V CA -0.963 61.217 62.300 -0.200 0.000 1.034 129 V CB 1.419 33.190 31.823 -0.087 0.000 1.075 129 V HN 0.603 nan 8.190 nan 0.000 0.442 130 Y N 0.669 120.957 120.300 -0.021 0.000 2.338 130 Y HA 0.754 5.302 4.550 -0.003 0.000 0.328 130 Y C 0.370 176.257 175.900 -0.021 0.000 0.965 130 Y CA -0.447 57.642 58.100 -0.018 0.000 1.208 130 Y CB 1.755 40.205 38.460 -0.017 0.000 1.132 130 Y HN 0.573 nan 8.280 nan 0.000 0.469 131 R N 0.881 121.431 120.500 0.083 0.000 2.778 131 R HA 0.653 4.991 4.340 -0.003 0.000 0.277 131 R C 0.809 177.138 176.300 0.049 0.000 0.977 131 R CA -0.500 55.626 56.100 0.044 0.000 0.950 131 R CB 1.693 31.996 30.300 0.004 0.000 1.165 131 R HN 0.776 nan 8.270 nan 0.000 0.474 132 A N 1.434 124.272 122.820 0.029 0.000 2.032 132 A HA -0.213 4.106 4.320 -0.003 0.000 0.221 132 A C 1.210 178.806 177.584 0.020 0.000 1.165 132 A CA 2.058 54.109 52.037 0.023 0.000 0.645 132 A CB -0.520 18.486 19.000 0.009 0.000 0.807 132 A HN 0.859 nan 8.150 nan 0.000 0.453 133 D N -1.182 119.227 120.400 0.014 0.000 2.332 133 D HA 0.081 4.719 4.640 -0.003 0.000 0.244 133 D C 0.612 176.921 176.300 0.015 0.000 1.136 133 D CA 0.240 54.247 54.000 0.011 0.000 0.884 133 D CB -0.153 40.649 40.800 0.004 0.000 0.906 133 D HN 0.502 nan 8.370 nan 0.000 0.520 134 R N -1.526 118.990 120.500 0.027 0.000 2.741 134 R HA 0.226 4.564 4.340 -0.003 0.000 0.276 134 R C 0.204 176.542 176.300 0.063 0.000 1.028 134 R CA -0.708 55.413 56.100 0.034 0.000 0.865 134 R CB 1.018 31.332 30.300 0.023 0.000 1.268 134 R HN -0.158 nan 8.270 nan 0.000 0.475 135 K N 0.284 120.726 120.400 0.069 0.000 2.306 135 K HA 0.157 4.475 4.320 -0.003 0.000 0.200 135 K C 0.237 176.938 176.600 0.168 0.000 1.083 135 K CA 0.575 56.919 56.287 0.094 0.000 0.959 135 K CB 0.420 32.953 32.500 0.054 0.000 0.994 135 K HN 0.580 nan 8.250 nan 0.000 0.492 136 S N 0.914 116.690 115.700 0.127 0.000 2.601 136 S HA 0.164 4.632 4.470 -0.003 0.000 0.271 136 S C 0.275 174.921 174.600 0.078 0.000 1.305 136 S CA -0.934 57.355 58.200 0.148 0.000 1.022 136 S CB 1.617 64.857 63.200 0.066 0.000 0.940 136 S HN 0.048 nan 8.310 nan 0.000 0.525 137 V N 2.340 122.232 119.914 -0.036 0.000 2.788 137 V HA 0.095 4.214 4.120 -0.003 0.000 0.307 137 V C -0.105 175.808 176.094 -0.302 0.000 1.069 137 V CA 0.427 62.370 62.300 -0.595 0.000 1.173 137 V CB 0.387 31.774 31.823 -0.727 0.000 0.925 137 V HN 0.970 nan 8.190 nan 0.000 0.492 138 Q N 5.587 125.198 119.800 -0.315 0.000 2.293 138 Q HA 0.468 4.807 4.340 -0.003 0.000 0.261 138 Q C -0.537 175.370 176.000 -0.155 0.000 0.960 138 Q CA -0.564 55.138 55.803 -0.168 0.000 0.882 138 Q CB 1.870 30.538 28.738 -0.117 0.000 1.275 138 Q HN 0.694 nan 8.270 nan 0.000 0.445 139 R N 3.679 124.117 120.500 -0.103 0.000 2.287 139 R HA 0.331 4.669 4.340 -0.003 0.000 0.327 139 R C -0.449 175.816 176.300 -0.059 0.000 1.109 139 R CA -0.086 55.966 56.100 -0.080 0.000 1.013 139 R CB 0.002 30.265 30.300 -0.061 0.000 1.126 139 R HN 0.685 nan 8.270 nan 0.000 0.503 140 I N -0.836 119.700 120.570 -0.057 0.000 2.982 140 I HA 0.484 4.653 4.170 -0.003 0.000 0.312 140 I C -0.611 175.487 176.117 -0.031 0.000 1.041 140 I CA -1.236 60.040 61.300 -0.040 0.000 1.053 140 I CB 1.700 39.679 38.000 -0.035 0.000 1.248 140 I HN 0.264 nan 8.210 nan 0.000 0.471 141 K N 2.614 122.998 120.400 -0.027 0.000 2.383 141 K HA 0.220 4.538 4.320 -0.003 0.000 0.286 141 K C 1.040 177.630 176.600 -0.017 0.000 1.051 141 K CA 0.405 56.677 56.287 -0.025 0.000 0.974 141 K CB 1.418 33.897 32.500 -0.034 0.000 0.968 141 K HN 0.794 nan 8.250 nan 0.000 0.475 142 A N 4.281 127.095 122.820 -0.010 0.000 1.940 142 A HA -0.289 4.029 4.320 -0.003 0.000 0.221 142 A C 2.132 179.723 177.584 0.012 0.000 1.190 142 A CA 2.064 54.102 52.037 0.002 0.000 0.647 142 A CB -0.507 18.498 19.000 0.009 0.000 0.821 142 A HN 0.945 nan 8.150 nan 0.000 0.457 143 R N -0.372 120.128 120.500 -0.000 0.000 2.153 143 R HA -0.217 4.121 4.340 -0.003 0.000 0.252 143 R C 0.402 176.720 176.300 0.029 0.000 1.158 143 R CA 2.076 58.174 56.100 -0.004 0.000 0.975 143 R CB -0.376 29.885 30.300 -0.065 0.000 0.871 143 R HN 0.515 nan 8.270 nan 0.000 0.450 144 D N 0.052 120.465 120.400 0.021 0.000 2.325 144 D HA 0.102 4.740 4.640 -0.003 0.000 0.225 144 D C 0.283 176.632 176.300 0.083 0.000 1.096 144 D CA 0.167 54.215 54.000 0.079 0.000 0.844 144 D CB 0.139 40.962 40.800 0.039 0.000 0.925 144 D HN 0.305 nan 8.370 nan 0.000 0.513 145 I N 0.852 121.457 120.570 0.058 0.000 2.638 145 I HA 0.086 4.254 4.170 -0.003 0.000 0.286 145 I C 0.375 176.529 176.117 0.061 0.000 1.088 145 I CA -0.204 61.119 61.300 0.039 0.000 1.397 145 I CB 1.333 39.340 38.000 0.012 0.000 1.414 145 I HN -0.337 nan 8.210 nan 0.000 0.566 146 V N 6.329 126.272 119.914 0.048 0.000 3.001 146 V HA 0.386 4.504 4.120 -0.003 0.000 0.314 146 V C -2.390 173.697 176.094 -0.013 0.000 1.099 146 V CA -1.941 60.406 62.300 0.078 0.000 0.989 146 V CB 2.428 34.354 31.823 0.172 0.000 1.040 146 V HN 0.572 nan 8.190 nan 0.000 0.434 147 P HA 0.341 nan 4.420 nan 0.000 0.271 147 P C 0.703 177.731 177.300 -0.454 0.000 1.226 147 P CA 1.186 64.089 63.100 -0.329 0.000 0.765 147 P CB 0.720 32.133 31.700 -0.477 0.000 0.835 148 G N 2.498 110.719 108.800 -0.965 0.000 2.284 148 G HA2 -0.168 3.791 3.960 -0.003 0.000 0.216 148 G HA3 -0.168 3.791 3.960 -0.003 0.000 0.216 148 G C -0.197 174.536 174.900 -0.279 0.000 1.009 148 G CA 0.015 44.581 45.100 -0.891 0.000 0.625 148 G HN 0.666 nan 8.290 nan 0.000 0.501 149 D N 1.122 121.429 120.400 -0.154 0.000 2.313 149 D HA 0.534 5.172 4.640 -0.003 0.000 0.247 149 D C 0.275 176.537 176.300 -0.062 0.000 1.094 149 D CA -0.891 53.065 54.000 -0.073 0.000 0.925 149 D CB 0.822 41.600 40.800 -0.035 0.000 1.188 149 D HN 0.100 nan 8.370 nan 0.000 0.430 150 I N 1.351 121.922 120.570 0.001 0.000 2.533 150 I HA 0.117 4.286 4.170 -0.003 0.000 0.284 150 I C -0.003 176.157 176.117 0.072 0.000 1.109 150 I CA -0.301 61.027 61.300 0.046 0.000 1.412 150 I CB 0.893 38.957 38.000 0.106 0.000 1.396 150 I HN 0.232 nan 8.210 nan 0.000 0.543 151 V N 6.331 126.272 119.914 0.045 0.000 2.667 151 V HA 0.512 4.631 4.120 -0.003 0.000 0.308 151 V C -0.135 176.001 176.094 0.071 0.000 1.048 151 V CA -0.840 61.477 62.300 0.029 0.000 0.928 151 V CB 1.965 33.781 31.823 -0.013 0.000 1.004 151 V HN 0.718 nan 8.190 nan 0.000 0.444 152 E N 2.013 122.245 120.200 0.055 0.000 2.234 152 E HA 0.713 5.062 4.350 -0.003 0.000 0.266 152 E C -1.587 175.032 176.600 0.031 0.000 0.877 152 E CA -0.510 55.941 56.400 0.085 0.000 0.758 152 E CB 2.239 32.047 29.700 0.179 0.000 1.170 152 E HN 0.618 nan 8.360 nan 0.000 0.415 153 V N 0.091 120.022 119.914 0.030 0.000 3.040 153 V HA 1.043 5.162 4.120 -0.003 0.000 0.312 153 V C -0.714 175.391 176.094 0.019 0.000 1.115 153 V CA -0.624 61.685 62.300 0.015 0.000 0.998 153 V CB 1.337 33.164 31.823 0.006 0.000 1.042 153 V HN 0.801 nan 8.190 nan 0.000 0.433 154 A N 1.075 123.904 122.820 0.016 0.000 2.602 154 A HA 0.817 5.135 4.320 -0.003 0.000 0.290 154 A C -0.477 177.116 177.584 0.015 0.000 1.114 154 A CA -0.614 51.433 52.037 0.017 0.000 0.683 154 A CB 1.420 20.432 19.000 0.019 0.000 1.281 154 A HN 1.784 nan 8.150 nan 0.000 0.416 155 V N 1.062 120.985 119.914 0.016 0.000 2.901 155 V HA 0.200 4.318 4.120 -0.003 0.000 0.290 155 V C 1.851 177.955 176.094 0.016 0.000 1.326 155 V CA 2.399 64.709 62.300 0.016 0.000 1.395 155 V CB -0.433 31.400 31.823 0.016 0.000 0.849 155 V HN 2.608 nan 8.190 nan 0.000 0.504 156 G N 3.350 112.161 108.800 0.019 0.000 2.267 156 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.257 156 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.257 156 G C -0.009 174.903 174.900 0.021 0.000 0.998 156 G CA 0.240 45.352 45.100 0.020 0.000 0.620 156 G HN 0.749 nan 8.290 nan 0.000 0.529 157 D N 0.953 121.364 120.400 0.019 0.000 2.389 157 D HA 0.380 5.018 4.640 -0.003 0.000 0.247 157 D C 0.609 176.925 176.300 0.027 0.000 1.128 157 D CA 0.187 54.198 54.000 0.018 0.000 0.884 157 D CB 1.169 41.976 40.800 0.012 0.000 1.194 157 D HN 0.485 nan 8.370 nan 0.000 0.441 158 K N 2.096 122.515 120.400 0.032 0.000 2.285 158 K HA 0.196 4.515 4.320 -0.003 0.000 0.286 158 K C -0.655 175.969 176.600 0.041 0.000 1.072 158 K CA -0.662 55.653 56.287 0.048 0.000 0.913 158 K CB 0.508 33.045 32.500 0.061 0.000 1.067 158 K HN 0.121 nan 8.250 nan 0.000 0.479 159 V N 8.140 128.079 119.914 0.040 0.000 2.555 159 V HA -0.041 4.078 4.120 -0.003 0.000 0.299 159 V C -1.145 174.971 176.094 0.036 0.000 1.012 159 V CA -0.673 61.645 62.300 0.030 0.000 1.180 159 V CB 0.568 32.409 31.823 0.030 0.000 0.887 159 V HN 0.899 nan 8.190 nan 0.000 0.476 160 P HA 0.155 nan 4.420 nan 0.000 0.231 160 P C 0.227 177.543 177.300 0.026 0.000 1.168 160 P CA 1.237 64.352 63.100 0.025 0.000 0.779 160 P CB 0.653 32.359 31.700 0.010 0.000 0.844 161 A N -0.789 122.042 122.820 0.018 0.000 2.511 161 A HA 0.445 4.764 4.320 -0.003 0.000 0.293 161 A C -1.675 175.914 177.584 0.008 0.000 1.098 161 A CA -0.607 51.441 52.037 0.018 0.000 0.643 161 A CB -0.084 18.915 19.000 -0.002 0.000 1.302 161 A HN -0.226 nan 8.150 nan 0.000 0.446 162 D N 1.203 121.612 120.400 0.015 0.000 2.359 162 D HA 0.493 5.131 4.640 -0.003 0.000 0.250 162 D C -0.585 175.676 176.300 -0.064 0.000 1.264 162 D CA 0.828 54.826 54.000 -0.003 0.000 0.911 162 D CB 0.069 40.907 40.800 0.063 0.000 1.056 162 D HN 0.385 nan 8.370 nan 0.000 0.499 163 I N 2.233 122.736 120.570 -0.113 0.000 2.377 163 I HA 0.275 4.443 4.170 -0.003 0.000 0.293 163 I C 0.430 176.471 176.117 -0.127 0.000 0.987 163 I CA -1.048 60.187 61.300 -0.109 0.000 1.185 163 I CB 1.373 39.320 38.000 -0.088 0.000 1.341 163 I HN 0.003 nan 8.210 nan 0.000 0.455 164 R N 6.931 127.379 120.500 -0.086 0.000 2.308 164 R HA 0.495 4.833 4.340 -0.003 0.000 0.305 164 R C -1.065 175.202 176.300 -0.055 0.000 1.053 164 R CA -0.168 55.893 56.100 -0.065 0.000 0.957 164 R CB 0.404 30.688 30.300 -0.026 0.000 1.022 164 R HN 0.520 nan 8.270 nan 0.000 0.461 165 I N 6.413 126.952 120.570 -0.051 0.000 2.441 165 I HA 0.043 4.212 4.170 -0.003 0.000 0.287 165 I C 0.896 177.004 176.117 -0.015 0.000 1.049 165 I CA -0.098 61.182 61.300 -0.034 0.000 1.381 165 I CB 0.948 38.929 38.000 -0.032 0.000 1.409 165 I HN 0.616 nan 8.210 nan 0.000 0.523 166 L N 4.124 125.341 121.223 -0.010 0.000 2.269 166 L HA 0.162 4.500 4.340 -0.003 0.000 0.200 166 L C 0.672 177.541 176.870 -0.002 0.000 1.069 166 L CA 0.493 55.331 54.840 -0.004 0.000 0.804 166 L CB 0.025 42.080 42.059 -0.006 0.000 0.987 166 L HN 0.772 nan 8.230 nan 0.000 0.468 167 S N -0.726 114.972 115.700 -0.003 0.000 2.543 167 S HA 0.480 4.949 4.470 -0.003 0.000 0.273 167 S C -1.001 173.601 174.600 0.003 0.000 1.152 167 S CA -0.737 57.463 58.200 0.000 0.000 0.910 167 S CB 1.430 64.624 63.200 -0.009 0.000 1.105 167 S HN 0.077 nan 8.310 nan 0.000 0.465 168 I N 4.276 124.853 120.570 0.011 0.000 2.297 168 I HA 0.325 4.494 4.170 -0.003 0.000 0.291 168 I C 0.977 177.101 176.117 0.011 0.000 1.033 168 I CA -0.808 60.500 61.300 0.013 0.000 1.253 168 I CB 1.225 39.239 38.000 0.022 0.000 1.396 168 I HN 0.650 nan 8.210 nan 0.000 0.476 169 K N 3.354 123.759 120.400 0.009 0.000 2.062 169 K HA -0.008 4.311 4.320 -0.003 0.000 0.205 169 K C 1.216 177.821 176.600 0.009 0.000 1.051 169 K CA 0.674 56.965 56.287 0.006 0.000 0.941 169 K CB -0.416 32.089 32.500 0.008 0.000 0.719 169 K HN 0.704 nan 8.250 nan 0.000 0.440 170 S N 0.539 116.246 115.700 0.013 0.000 2.634 170 S HA 0.020 4.488 4.470 -0.003 0.000 0.254 170 S C 1.437 176.047 174.600 0.016 0.000 1.299 170 S CA 0.345 58.554 58.200 0.014 0.000 0.974 170 S CB 0.546 63.755 63.200 0.015 0.000 1.001 170 S HN 0.386 nan 8.310 nan 0.000 0.584 171 T N -3.298 111.267 114.554 0.018 0.000 3.081 171 T HA 0.249 4.597 4.350 -0.003 0.000 0.255 171 T C 0.586 175.305 174.700 0.032 0.000 1.113 171 T CA 0.650 62.762 62.100 0.021 0.000 1.082 171 T CB -0.342 68.536 68.868 0.018 0.000 0.939 171 T HN 0.753 nan 8.240 nan 0.000 0.506 172 T N 0.373 114.944 114.554 0.028 0.000 3.047 172 T HA 0.541 4.890 4.350 -0.003 0.000 0.340 172 T C -2.446 172.261 174.700 0.012 0.000 1.421 172 T CA -0.761 61.356 62.100 0.028 0.000 1.090 172 T CB 1.625 70.516 68.868 0.037 0.000 1.292 172 T HN 0.226 nan 8.240 nan 0.000 0.480 173 L N 4.574 125.792 121.223 -0.008 0.000 2.333 173 L HA 0.812 5.151 4.340 -0.003 0.000 0.280 173 L C -0.859 175.998 176.870 -0.022 0.000 1.004 173 L CA -0.361 54.471 54.840 -0.014 0.000 0.820 173 L CB 1.094 43.140 42.059 -0.022 0.000 1.247 173 L HN 0.513 nan 8.230 nan 0.000 0.416 174 R N 4.161 124.659 120.500 -0.004 0.000 2.670 174 R HA 0.807 5.146 4.340 -0.003 0.000 0.289 174 R C -1.482 174.825 176.300 0.012 0.000 0.965 174 R CA -0.800 55.303 56.100 0.005 0.000 0.899 174 R CB 2.077 32.387 30.300 0.017 0.000 1.173 174 R HN 0.426 nan 8.270 nan 0.000 0.456 175 V N 1.074 121.000 119.914 0.020 0.000 2.789 175 V HA 0.217 4.336 4.120 -0.003 0.000 0.311 175 V C -0.655 175.464 176.094 0.041 0.000 1.073 175 V CA -0.961 61.357 62.300 0.030 0.000 0.921 175 V CB 2.525 34.368 31.823 0.033 0.000 1.009 175 V HN 0.613 nan 8.190 nan 0.000 0.426 176 D N 2.799 123.224 120.400 0.041 0.000 2.456 176 D HA 0.269 4.907 4.640 -0.003 0.000 0.219 176 D C 0.393 176.718 176.300 0.042 0.000 1.126 176 D CA -0.117 53.907 54.000 0.040 0.000 0.890 176 D CB 0.993 41.815 40.800 0.036 0.000 1.025 176 D HN 0.572 nan 8.370 nan 0.000 0.511 177 Q N 2.021 121.849 119.800 0.047 0.000 2.242 177 Q HA 0.088 4.426 4.340 -0.003 0.000 0.246 177 Q C 1.365 177.360 176.000 -0.009 0.000 0.883 177 Q CA -0.231 55.594 55.803 0.038 0.000 0.984 177 Q CB 0.351 29.139 28.738 0.084 0.000 1.096 177 Q HN 0.496 nan 8.270 nan 0.000 0.452 178 S N 1.047 116.744 115.700 -0.005 0.000 2.348 178 S HA -0.220 4.249 4.470 -0.003 0.000 0.221 178 S C 2.042 176.610 174.600 -0.053 0.000 1.033 178 S CA 1.268 59.460 58.200 -0.014 0.000 1.010 178 S CB -0.762 62.444 63.200 0.010 0.000 0.891 178 S HN 0.630 nan 8.310 nan 0.000 0.442 179 I N 0.330 120.847 120.570 -0.088 0.000 2.576 179 I HA -0.185 3.984 4.170 -0.003 0.000 0.263 179 I C 1.992 177.975 176.117 -0.223 0.000 1.183 179 I CA 1.452 62.632 61.300 -0.200 0.000 1.432 179 I CB -0.567 37.130 38.000 -0.504 0.000 1.100 179 I HN 0.241 nan 8.210 nan 0.000 0.452 180 L N 0.315 121.433 121.223 -0.175 0.000 2.084 180 L HA -0.030 4.308 4.340 -0.003 0.000 0.202 180 L C 2.772 179.574 176.870 -0.114 0.000 1.074 180 L CA 1.742 56.477 54.840 -0.175 0.000 0.757 180 L CB -0.821 41.112 42.059 -0.210 0.000 0.918 180 L HN 0.537 nan 8.230 nan 0.000 0.444 181 T N -4.522 109.985 114.554 -0.079 0.000 3.044 181 T HA 0.301 4.649 4.350 -0.003 0.000 0.237 181 T C 1.431 176.119 174.700 -0.019 0.000 1.001 181 T CA 0.789 62.863 62.100 -0.043 0.000 1.160 181 T CB 0.788 69.641 68.868 -0.026 0.000 0.889 181 T HN 0.396 nan 8.240 nan 0.000 0.442 182 G N 1.889 110.682 108.800 -0.011 0.000 2.545 182 G HA2 -0.144 3.814 3.960 -0.003 0.000 0.195 182 G HA3 -0.144 3.814 3.960 -0.003 0.000 0.195 182 G C -0.068 174.840 174.900 0.014 0.000 1.009 182 G CA -0.058 45.045 45.100 0.006 0.000 0.703 182 G HN 0.947 nan 8.290 nan 0.000 0.479 183 E N 1.539 121.747 120.200 0.014 0.000 2.351 183 E HA 0.570 4.918 4.350 -0.003 0.000 0.266 183 E C 0.826 177.438 176.600 0.021 0.000 1.031 183 E CA 0.435 56.846 56.400 0.020 0.000 0.911 183 E CB 1.299 31.013 29.700 0.023 0.000 0.986 183 E HN 0.072 nan 8.360 nan 0.000 0.446 184 S N 2.488 118.201 115.700 0.022 0.000 2.561 184 S HA -0.024 4.444 4.470 -0.003 0.000 0.225 184 S C 0.604 175.218 174.600 0.024 0.000 0.977 184 S CA -0.130 58.084 58.200 0.023 0.000 0.926 184 S CB 0.110 63.324 63.200 0.023 0.000 0.769 184 S HN 0.462 nan 8.310 nan 0.000 0.533 185 V N 4.266 124.195 119.914 0.024 0.000 2.434 185 V HA 0.054 4.172 4.120 -0.003 0.000 0.281 185 V C 0.934 177.049 176.094 0.036 0.000 1.005 185 V CA -0.532 61.783 62.300 0.026 0.000 1.089 185 V CB -0.661 31.176 31.823 0.025 0.000 0.978 185 V HN 0.513 nan 8.190 nan 0.000 0.474 186 S N 5.500 121.220 115.700 0.035 0.000 2.566 186 S HA 0.341 4.810 4.470 -0.003 0.000 0.280 186 S C -0.353 174.275 174.600 0.047 0.000 1.343 186 S CA -0.553 57.670 58.200 0.038 0.000 1.036 186 S CB 1.131 64.351 63.200 0.032 0.000 0.866 186 S HN 0.492 nan 8.310 nan 0.000 0.526 187 V N 3.188 123.131 119.914 0.047 0.000 2.680 187 V HA 0.435 4.553 4.120 -0.003 0.000 0.309 187 V C 0.127 176.234 176.094 0.022 0.000 1.052 187 V CA -0.903 61.429 62.300 0.053 0.000 0.908 187 V CB 1.615 33.479 31.823 0.068 0.000 1.001 187 V HN 0.914 nan 8.190 nan 0.000 0.431 188 I N 4.668 125.244 120.570 0.011 0.000 2.474 188 I HA 0.307 4.475 4.170 -0.003 0.000 0.287 188 I C 0.245 176.269 176.117 -0.155 0.000 1.048 188 I CA -0.150 61.111 61.300 -0.064 0.000 1.383 188 I CB 0.632 38.602 38.000 -0.049 0.000 1.412 188 I HN 0.449 nan 8.210 nan 0.000 0.531 189 K N 5.563 125.838 120.400 -0.208 0.000 2.208 189 K HA 0.559 4.878 4.320 -0.003 0.000 0.247 189 K C -0.580 175.812 176.600 -0.348 0.000 0.953 189 K CA -0.794 55.370 56.287 -0.205 0.000 0.837 189 K CB 1.986 34.429 32.500 -0.096 0.000 1.131 189 K HN 0.484 nan 8.250 nan 0.000 0.431 190 H N -0.585 118.494 119.070 0.016 0.000 3.379 190 H HA 0.398 4.953 4.556 -0.003 0.000 0.298 190 H C 0.282 175.604 175.328 -0.010 0.000 1.672 190 H CA -0.422 55.630 56.048 0.007 0.000 1.446 190 H CB 1.607 31.364 29.762 -0.008 0.000 1.710 190 H HN 0.460 nan 8.280 nan 0.000 0.791 191 T N -0.449 114.196 114.554 0.151 0.000 2.980 191 T HA 0.061 4.409 4.350 -0.003 0.000 0.252 191 T C 0.126 174.841 174.700 0.025 0.000 0.962 191 T CA -0.128 62.007 62.100 0.058 0.000 0.932 191 T CB 0.662 69.555 68.868 0.041 0.000 1.188 191 T HN 0.548 nan 8.240 nan 0.000 0.500 192 E N 3.449 123.652 120.200 0.005 0.000 2.422 192 E HA 0.214 4.563 4.350 -0.003 0.000 0.260 192 E C -2.551 174.042 176.600 -0.012 0.000 1.108 192 E CA -1.640 54.745 56.400 -0.025 0.000 0.943 192 E CB -0.154 29.504 29.700 -0.071 0.000 0.961 192 E HN 0.154 nan 8.360 nan 0.000 0.443 193 P HA 0.010 nan 4.420 nan 0.000 0.274 193 P C -0.644 176.659 177.300 0.005 0.000 1.246 193 P CA -0.431 62.665 63.100 -0.007 0.000 0.795 193 P CB 0.746 32.432 31.700 -0.024 0.000 1.006 194 V N 3.764 123.707 119.914 0.049 0.000 2.293 194 V HA 0.129 4.248 4.120 -0.003 0.000 0.275 194 V C -1.347 174.803 176.094 0.093 0.000 1.021 194 V CA -1.561 60.788 62.300 0.081 0.000 0.815 194 V CB 0.722 32.633 31.823 0.147 0.000 1.025 194 V HN 0.474 nan 8.190 nan 0.000 0.448 195 P HA -0.215 nan 4.420 nan 0.000 0.214 195 P C 0.604 177.933 177.300 0.049 0.000 1.164 195 P CA 1.261 64.374 63.100 0.022 0.000 0.942 195 P CB 0.066 31.769 31.700 0.004 0.000 0.791 196 D N -1.028 119.413 120.400 0.068 0.000 2.502 196 D HA -0.051 4.588 4.640 -0.003 0.000 0.249 196 D C -1.663 174.747 176.300 0.183 0.000 1.188 196 D CA -1.052 52.999 54.000 0.085 0.000 0.890 196 D CB 0.422 41.258 40.800 0.060 0.000 1.140 196 D HN 0.093 nan 8.370 nan 0.000 0.505 197 P HA 0.061 nan 4.420 nan 0.000 0.231 197 P C 0.259 177.694 177.300 0.224 0.000 1.168 197 P CA 0.584 63.797 63.100 0.188 0.000 0.779 197 P CB 0.338 32.066 31.700 0.047 0.000 0.844 198 R N -0.422 120.152 120.500 0.124 0.000 2.694 198 R HA 0.469 4.807 4.340 -0.003 0.000 0.334 198 R C 0.241 176.551 176.300 0.016 0.000 1.143 198 R CA -0.408 55.730 56.100 0.063 0.000 1.073 198 R CB 0.328 30.652 30.300 0.040 0.000 1.366 198 R HN 0.039 nan 8.270 nan 0.000 0.577 199 A N 1.157 123.966 122.820 -0.018 0.000 2.425 199 A HA 0.328 4.647 4.320 -0.003 0.000 0.249 199 A C 0.708 178.215 177.584 -0.129 0.000 1.084 199 A CA -0.522 51.460 52.037 -0.091 0.000 0.781 199 A CB 0.378 19.288 19.000 -0.149 0.000 1.019 199 A HN 0.195 nan 8.150 nan 0.000 0.490 200 V N 1.779 121.650 119.914 -0.072 0.000 2.686 200 V HA 0.157 4.275 4.120 -0.003 0.000 0.295 200 V C 1.152 177.206 176.094 -0.065 0.000 1.055 200 V CA -0.680 61.580 62.300 -0.068 0.000 1.050 200 V CB 0.270 32.072 31.823 -0.036 0.000 0.984 200 V HN 0.887 nan 8.190 nan 0.000 0.482 201 N N 2.180 120.830 118.700 -0.084 0.000 2.073 201 N HA -0.310 4.429 4.740 -0.003 0.000 0.199 201 N C 1.672 177.221 175.510 0.065 0.000 1.023 201 N CA 2.328 55.358 53.050 -0.033 0.000 0.880 201 N CB -0.497 37.741 38.487 -0.416 0.000 1.052 201 N HN 0.965 nan 8.380 nan 0.000 0.449 202 Q N 0.294 120.096 119.800 0.004 0.000 2.325 202 Q HA -0.164 4.175 4.340 -0.003 0.000 0.211 202 Q C -0.061 175.982 176.000 0.071 0.000 0.988 202 Q CA 1.458 57.292 55.803 0.051 0.000 0.887 202 Q CB 0.093 28.853 28.738 0.036 0.000 0.915 202 Q HN 0.326 nan 8.270 nan 0.000 0.440 203 D N -0.568 119.859 120.400 0.045 0.000 2.395 203 D HA 0.065 4.703 4.640 -0.003 0.000 0.213 203 D C -0.457 175.861 176.300 0.030 0.000 1.110 203 D CA 0.177 54.196 54.000 0.031 0.000 0.835 203 D CB 0.423 41.227 40.800 0.006 0.000 0.965 203 D HN 0.143 nan 8.370 nan 0.000 0.505 204 K N 1.486 121.921 120.400 0.058 0.000 2.307 204 K HA 0.171 4.489 4.320 -0.003 0.000 0.240 204 K C 1.018 177.646 176.600 0.047 0.000 1.214 204 K CA -0.068 56.246 56.287 0.045 0.000 1.149 204 K CB 0.614 33.163 32.500 0.081 0.000 1.668 204 K HN -0.092 nan 8.250 nan 0.000 0.314 205 K N 0.894 121.323 120.400 0.049 0.000 2.515 205 K HA -0.106 4.212 4.320 -0.003 0.000 0.196 205 K C 0.700 177.310 176.600 0.017 0.000 1.038 205 K CA 0.905 57.218 56.287 0.044 0.000 0.967 205 K CB -0.007 32.544 32.500 0.085 0.000 0.780 205 K HN 0.437 nan 8.250 nan 0.000 0.483 206 N N -0.193 118.510 118.700 0.006 0.000 2.234 206 N HA 0.083 4.821 4.740 -0.003 0.000 0.227 206 N C -0.327 175.136 175.510 -0.078 0.000 1.151 206 N CA -0.226 52.818 53.050 -0.010 0.000 0.865 206 N CB 0.299 38.798 38.487 0.020 0.000 1.066 206 N HN -0.099 nan 8.380 nan 0.000 0.515 207 M N 0.695 120.195 119.600 -0.167 0.000 2.528 207 M HA 0.527 5.005 4.480 -0.003 0.000 0.321 207 M C -1.508 174.480 176.300 -0.520 0.000 1.153 207 M CA -0.836 54.249 55.300 -0.357 0.000 0.951 207 M CB 2.010 34.312 32.600 -0.497 0.000 1.705 207 M HN 0.028 nan 8.290 nan 0.000 0.451 208 L N 3.869 124.796 121.223 -0.493 0.000 2.333 208 L HA 0.541 4.880 4.340 -0.003 0.000 0.280 208 L C -1.389 175.206 176.870 -0.458 0.000 1.004 208 L CA -0.549 54.061 54.840 -0.383 0.000 0.820 208 L CB 1.233 43.191 42.059 -0.168 0.000 1.247 208 L HN 0.556 nan 8.230 nan 0.000 0.416 209 F N 1.025 120.967 119.950 -0.014 0.000 2.410 209 F HA 0.217 4.743 4.527 -0.003 0.000 0.349 209 F C 1.042 176.830 175.800 -0.021 0.000 1.117 209 F CA -0.413 57.575 58.000 -0.021 0.000 1.104 209 F CB 1.677 40.656 39.000 -0.035 0.000 1.122 209 F HN 0.379 nan 8.300 nan 0.000 0.483 210 S N 2.474 118.270 115.700 0.161 0.000 2.626 210 S HA 0.339 4.808 4.470 -0.003 0.000 0.303 210 S C 1.071 175.724 174.600 0.089 0.000 1.256 210 S CA 1.053 59.312 58.200 0.098 0.000 1.069 210 S CB -0.263 62.986 63.200 0.083 0.000 0.807 210 S HN 1.207 nan 8.310 nan 0.000 0.500 211 G N 3.303 112.148 108.800 0.076 0.000 2.339 211 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.209 211 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.209 211 G C 0.351 175.269 174.900 0.030 0.000 1.015 211 G CA 0.290 45.420 45.100 0.050 0.000 0.635 211 G HN 1.462 nan 8.290 nan 0.000 0.499 212 T N 0.452 115.034 114.554 0.046 0.000 2.766 212 T HA 0.583 4.932 4.350 -0.003 0.000 0.295 212 T C -0.009 174.725 174.700 0.056 0.000 1.024 212 T CA 0.074 62.203 62.100 0.049 0.000 1.018 212 T CB 1.464 70.388 68.868 0.093 0.000 1.002 212 T HN 0.320 nan 8.240 nan 0.000 0.532 213 N N 0.123 118.853 118.700 0.051 0.000 2.319 213 N HA 0.434 5.172 4.740 -0.003 0.000 0.305 213 N C -0.805 174.726 175.510 0.036 0.000 1.103 213 N CA -0.731 52.346 53.050 0.046 0.000 0.815 213 N CB 1.701 40.217 38.487 0.049 0.000 1.288 213 N HN 0.612 nan 8.380 nan 0.000 0.493 214 I N 1.760 122.348 120.570 0.029 0.000 2.322 214 I HA 0.137 4.305 4.170 -0.003 0.000 0.292 214 I C 1.395 177.525 176.117 0.023 0.000 1.060 214 I CA -0.233 61.080 61.300 0.022 0.000 1.309 214 I CB 0.995 39.005 38.000 0.016 0.000 1.415 214 I HN 0.624 nan 8.210 nan 0.000 0.492 215 A N 5.735 128.568 122.820 0.023 0.000 1.872 215 A HA 0.413 4.731 4.320 -0.003 0.000 0.214 215 A C 1.083 178.679 177.584 0.020 0.000 1.187 215 A CA 1.156 53.207 52.037 0.023 0.000 0.614 215 A CB 0.073 19.088 19.000 0.025 0.000 0.826 215 A HN 0.728 nan 8.150 nan 0.000 0.442 216 A N -2.227 120.604 122.820 0.018 0.000 2.459 216 A HA 0.646 4.965 4.320 -0.003 0.000 0.296 216 A C 0.191 177.784 177.584 0.014 0.000 1.039 216 A CA 0.208 52.255 52.037 0.017 0.000 0.698 216 A CB 0.417 19.429 19.000 0.020 0.000 1.261 216 A HN 2.181 nan 8.150 nan 0.000 0.405 217 G N 0.626 109.435 108.800 0.015 0.000 2.373 217 G HA2 0.375 4.334 3.960 -0.003 0.000 0.634 217 G HA3 0.375 4.334 3.960 -0.003 0.000 0.634 217 G C -0.814 174.095 174.900 0.015 0.000 1.267 217 G CA -0.213 44.896 45.100 0.014 0.000 1.008 217 G HN 1.290 nan 8.290 nan 0.000 0.497 218 K N -0.567 119.842 120.400 0.015 0.000 2.550 218 K HA 0.734 5.052 4.320 -0.003 0.000 0.252 218 K C -0.587 176.024 176.600 0.017 0.000 0.943 218 K CA -0.037 56.261 56.287 0.019 0.000 0.806 218 K CB 1.583 34.097 32.500 0.023 0.000 1.289 218 K HN 2.019 nan 8.250 nan 0.000 0.435 219 A N 3.055 125.886 122.820 0.019 0.000 2.594 219 A HA 0.741 5.059 4.320 -0.003 0.000 0.291 219 A C -2.164 175.435 177.584 0.024 0.000 1.105 219 A CA -0.745 51.301 52.037 0.014 0.000 0.694 219 A CB 1.602 20.603 19.000 0.002 0.000 1.291 219 A HN 0.535 nan 8.150 nan 0.000 0.410 220 L N 0.482 121.715 121.223 0.017 0.000 2.346 220 L HA 0.844 5.182 4.340 -0.003 0.000 0.276 220 L C 0.323 177.198 176.870 0.008 0.000 1.006 220 L CA 0.450 55.306 54.840 0.027 0.000 0.817 220 L CB 1.884 43.948 42.059 0.008 0.000 1.272 220 L HN 1.145 nan 8.230 nan 0.000 0.421 221 G N 3.912 112.718 108.800 0.010 0.000 2.694 221 G HA2 0.533 4.492 3.960 -0.003 0.000 0.290 221 G HA3 0.533 4.492 3.960 -0.003 0.000 0.290 221 G C -1.916 172.969 174.900 -0.024 0.000 1.386 221 G CA -0.581 44.510 45.100 -0.015 0.000 0.872 221 G HN 0.703 nan 8.290 nan 0.000 0.475 222 I N 1.056 121.596 120.570 -0.049 0.000 2.389 222 I HA 0.487 4.655 4.170 -0.003 0.000 0.288 222 I C -0.267 175.760 176.117 -0.151 0.000 0.999 222 I CA -0.889 60.354 61.300 -0.095 0.000 1.129 222 I CB 1.563 39.517 38.000 -0.076 0.000 1.288 222 I HN 0.223 nan 8.210 nan 0.000 0.444 223 V N 8.548 128.340 119.914 -0.204 0.000 2.493 223 V HA 0.015 4.133 4.120 -0.003 0.000 0.292 223 V C 1.215 177.133 176.094 -0.293 0.000 1.016 223 V CA 0.964 63.138 62.300 -0.210 0.000 1.097 223 V CB 0.609 32.318 31.823 -0.191 0.000 0.947 223 V HN 0.988 nan 8.190 nan 0.000 0.479 224 A N 4.846 127.588 122.820 -0.130 0.000 1.887 224 A HA 0.265 4.584 4.320 -0.003 0.000 0.212 224 A C 1.067 178.660 177.584 0.015 0.000 1.198 224 A CA 1.163 53.197 52.037 -0.005 0.000 0.628 224 A CB 0.123 19.134 19.000 0.018 0.000 0.847 224 A HN 0.871 nan 8.150 nan 0.000 0.449 225 T N -4.989 109.545 114.554 -0.032 0.000 2.868 225 T HA 0.604 4.953 4.350 -0.003 0.000 0.306 225 T C -0.562 174.120 174.700 -0.031 0.000 1.224 225 T CA 0.054 62.132 62.100 -0.038 0.000 1.012 225 T CB 1.749 70.624 68.868 0.012 0.000 1.221 225 T HN 0.184 nan 8.240 nan 0.000 0.499 226 T N -1.059 113.483 114.554 -0.021 0.000 2.669 226 T HA 0.720 5.069 4.350 -0.003 0.000 0.283 226 T C 1.073 175.800 174.700 0.045 0.000 1.019 226 T CA 0.863 62.971 62.100 0.012 0.000 1.039 226 T CB 0.780 69.653 68.868 0.007 0.000 1.374 226 T HN 1.818 nan 8.240 nan 0.000 0.523 227 G N 0.809 109.645 108.800 0.060 0.000 2.660 227 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.338 227 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.338 227 G C 1.266 176.202 174.900 0.060 0.000 1.336 227 G CA 0.815 45.956 45.100 0.069 0.000 0.990 227 G HN 1.132 nan 8.290 nan 0.000 0.537 228 V N 0.892 120.842 119.914 0.060 0.000 3.241 228 V HA 0.022 4.140 4.120 -0.003 0.000 0.269 228 V C 2.574 178.696 176.094 0.047 0.000 1.151 228 V CA 2.672 65.002 62.300 0.050 0.000 1.158 228 V CB 0.042 31.894 31.823 0.048 0.000 0.764 228 V HN 0.616 nan 8.190 nan 0.000 0.508 229 S N -1.431 114.301 115.700 0.054 0.000 2.548 229 S HA 0.055 4.523 4.470 -0.003 0.000 0.215 229 S C 1.001 175.631 174.600 0.050 0.000 0.976 229 S CA 0.251 58.481 58.200 0.051 0.000 0.908 229 S CB 0.134 63.369 63.200 0.059 0.000 0.781 229 S HN 0.616 nan 8.310 nan 0.000 0.519 230 T N 1.664 116.249 114.554 0.053 0.000 2.828 230 T HA 0.102 4.450 4.350 -0.003 0.000 0.290 230 T C 1.279 176.015 174.700 0.061 0.000 1.019 230 T CA -0.370 61.771 62.100 0.068 0.000 1.031 230 T CB 0.538 69.447 68.868 0.068 0.000 1.001 230 T HN 0.039 nan 8.240 nan 0.000 0.531 231 E N 1.948 122.199 120.200 0.085 0.000 2.049 231 E HA -0.138 4.210 4.350 -0.003 0.000 0.198 231 E C 2.030 178.608 176.600 -0.036 0.000 1.007 231 E CA 1.360 57.764 56.400 0.006 0.000 0.809 231 E CB -0.334 29.324 29.700 -0.069 0.000 0.749 231 E HN 0.680 nan 8.360 nan 0.000 0.450 232 I N 0.637 121.192 120.570 -0.025 0.000 2.361 232 I HA -0.186 3.982 4.170 -0.003 0.000 0.251 232 I C 2.192 178.309 176.117 -0.000 0.000 1.133 232 I CA 1.200 62.480 61.300 -0.034 0.000 1.413 232 I CB -0.207 37.777 38.000 -0.026 0.000 1.073 232 I HN 0.107 nan 8.210 nan 0.000 0.424 233 G N 0.298 109.110 108.800 0.020 0.000 2.402 233 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.216 233 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.216 233 G C 1.707 176.617 174.900 0.017 0.000 1.162 233 G CA 0.386 45.502 45.100 0.028 0.000 0.777 233 G HN 0.294 nan 8.290 nan 0.000 0.539 234 K N -0.014 120.391 120.400 0.008 0.000 2.026 234 K HA 0.006 4.325 4.320 -0.003 0.000 0.208 234 K C 2.430 179.023 176.600 -0.011 0.000 1.048 234 K CA 0.945 57.232 56.287 -0.001 0.000 0.929 234 K CB -0.298 32.196 32.500 -0.009 0.000 0.713 234 K HN 0.308 nan 8.250 nan 0.000 0.439 235 I N 1.092 121.649 120.570 -0.022 0.000 2.118 235 I HA -0.344 3.824 4.170 -0.003 0.000 0.241 235 I C 2.787 178.898 176.117 -0.009 0.000 1.070 235 I CA 1.290 62.575 61.300 -0.026 0.000 1.327 235 I CB -0.295 37.681 38.000 -0.039 0.000 1.034 235 I HN 0.212 nan 8.210 nan 0.000 0.405 236 R N 0.870 121.372 120.500 0.004 0.000 2.117 236 R HA -0.239 4.100 4.340 -0.003 0.000 0.243 236 R C 1.739 178.045 176.300 0.009 0.000 1.143 236 R CA 2.147 58.256 56.100 0.014 0.000 0.968 236 R CB -0.347 29.968 30.300 0.026 0.000 0.863 236 R HN 0.386 nan 8.270 nan 0.000 0.444 237 D N 0.420 120.824 120.400 0.006 0.000 2.097 237 D HA -0.155 4.484 4.640 -0.003 0.000 0.197 237 D C 2.059 178.358 176.300 -0.003 0.000 0.984 237 D CA 1.210 55.213 54.000 0.005 0.000 0.826 237 D CB -0.258 40.545 40.800 0.006 0.000 0.973 237 D HN 0.422 nan 8.370 nan 0.000 0.460 238 Q N -0.082 119.712 119.800 -0.010 0.000 2.061 238 Q HA -0.103 4.236 4.340 -0.003 0.000 0.204 238 Q C 2.317 178.308 176.000 -0.014 0.000 0.984 238 Q CA 1.130 56.922 55.803 -0.017 0.000 0.846 238 Q CB -0.150 28.572 28.738 -0.026 0.000 0.902 238 Q HN 0.318 nan 8.270 nan 0.000 0.421 239 M N -0.412 119.183 119.600 -0.009 0.000 2.358 239 M HA -0.125 4.353 4.480 -0.003 0.000 0.264 239 M C 2.076 178.375 176.300 -0.002 0.000 1.064 239 M CA 1.203 56.500 55.300 -0.005 0.000 1.093 239 M CB -0.051 32.550 32.600 0.001 0.000 1.401 239 M HN 0.235 nan 8.290 nan 0.000 0.440 240 A N -0.198 122.622 122.820 -0.000 0.000 1.984 240 A HA 0.246 4.564 4.320 -0.003 0.000 0.214 240 A C 2.296 179.879 177.584 -0.001 0.000 1.173 240 A CA 1.071 53.109 52.037 0.002 0.000 0.673 240 A CB -0.566 18.438 19.000 0.006 0.000 0.830 240 A HN 0.419 nan 8.150 nan 0.000 0.453 241 A N -0.740 122.078 122.820 -0.004 0.000 2.015 241 A HA 0.042 4.360 4.320 -0.003 0.000 0.219 241 A C 1.613 179.191 177.584 -0.010 0.000 1.163 241 A CA 1.607 53.640 52.037 -0.007 0.000 0.646 241 A CB -0.963 18.032 19.000 -0.010 0.000 0.806 241 A HN 0.388 nan 8.150 nan 0.000 0.448 242 T N 0.492 115.039 114.554 -0.011 0.000 2.834 242 T HA 0.351 4.699 4.350 -0.003 0.000 0.298 242 T C -0.384 174.310 174.700 -0.009 0.000 0.966 242 T CA -0.163 61.929 62.100 -0.013 0.000 1.141 242 T CB 0.307 69.166 68.868 -0.015 0.000 0.905 242 T HN 0.402 nan 8.240 nan 0.000 0.535 243 E N 3.612 123.807 120.200 -0.009 0.000 2.191 243 E HA 0.369 4.717 4.350 -0.003 0.000 0.274 243 E C -0.822 175.774 176.600 -0.006 0.000 0.948 243 E CA -0.812 55.585 56.400 -0.006 0.000 0.802 243 E CB 0.883 30.580 29.700 -0.006 0.000 1.137 243 E HN 0.603 nan 8.360 nan 0.000 0.397 244 Q N 3.342 123.140 119.800 -0.004 0.000 2.333 244 Q HA 0.407 4.746 4.340 -0.003 0.000 0.268 244 Q C -0.706 175.293 176.000 -0.001 0.000 1.007 244 Q CA -0.712 55.089 55.803 -0.003 0.000 0.810 244 Q CB 1.144 29.881 28.738 -0.002 0.000 1.264 244 Q HN 0.450 nan 8.270 nan 0.000 0.452 245 D N 2.235 122.635 120.400 -0.001 0.000 2.362 245 D HA 0.065 4.703 4.640 -0.003 0.000 0.238 245 D C -0.004 176.297 176.300 0.002 0.000 1.212 245 D CA 0.240 54.240 54.000 0.001 0.000 0.902 245 D CB 1.056 41.856 40.800 0.001 0.000 1.180 245 D HN 0.384 nan 8.370 nan 0.000 0.445 246 K N 0.309 120.711 120.400 0.004 0.000 2.202 246 K HA 0.144 4.463 4.320 -0.003 0.000 0.264 246 K C 0.372 176.973 176.600 0.003 0.000 1.010 246 K CA -0.335 55.955 56.287 0.006 0.000 0.940 246 K CB 0.516 33.022 32.500 0.010 0.000 0.983 246 K HN 0.220 nan 8.250 nan 0.000 0.475 247 T N 3.513 118.068 114.554 0.003 0.000 2.946 247 T HA -0.001 4.348 4.350 -0.003 0.000 0.311 247 T C -1.180 173.517 174.700 -0.006 0.000 1.063 247 T CA -1.295 60.801 62.100 -0.006 0.000 1.139 247 T CB 0.445 69.314 68.868 0.001 0.000 0.994 247 T HN 0.445 nan 8.240 nan 0.000 0.547 248 P HA -0.105 nan 4.420 nan 0.000 0.221 248 P C 1.508 178.809 177.300 0.002 0.000 1.145 248 P CA 0.628 63.717 63.100 -0.018 0.000 0.795 248 P CB 0.177 31.848 31.700 -0.049 0.000 0.775 249 L N 0.181 121.407 121.223 0.005 0.000 2.131 249 L HA -0.053 4.286 4.340 -0.003 0.000 0.206 249 L C 2.515 179.415 176.870 0.051 0.000 1.087 249 L CA 1.746 56.618 54.840 0.052 0.000 0.767 249 L CB -1.406 40.706 42.059 0.089 0.000 0.917 249 L HN -0.139 nan 8.230 nan 0.000 0.441 250 Q N -1.020 118.803 119.800 0.038 0.000 2.224 250 Q HA -0.231 4.107 4.340 -0.003 0.000 0.203 250 Q C 2.171 178.194 176.000 0.039 0.000 0.970 250 Q CA 1.536 57.361 55.803 0.038 0.000 0.865 250 Q CB -0.104 28.650 28.738 0.027 0.000 0.922 250 Q HN 0.646 nan 8.270 nan 0.000 0.445 251 Q N 0.965 120.785 119.800 0.033 0.000 2.020 251 Q HA -0.114 4.224 4.340 -0.003 0.000 0.198 251 Q C 1.793 177.824 176.000 0.052 0.000 0.974 251 Q CA 1.105 56.929 55.803 0.035 0.000 0.829 251 Q CB 0.241 28.994 28.738 0.025 0.000 0.894 251 Q HN 0.187 nan 8.270 nan 0.000 0.433 252 K N 0.181 120.615 120.400 0.058 0.000 2.152 252 K HA -0.148 4.170 4.320 -0.003 0.000 0.206 252 K C 2.084 178.749 176.600 0.108 0.000 1.048 252 K CA 0.980 57.313 56.287 0.077 0.000 0.933 252 K CB -0.095 32.448 32.500 0.071 0.000 0.721 252 K HN 0.238 nan 8.250 nan 0.000 0.447 253 L N 1.060 122.341 121.223 0.097 0.000 2.027 253 L HA -0.206 4.132 4.340 -0.003 0.000 0.206 253 L C 1.928 178.893 176.870 0.158 0.000 1.074 253 L CA 1.150 56.071 54.840 0.135 0.000 0.745 253 L CB -0.434 41.680 42.059 0.092 0.000 0.898 253 L HN 0.177 nan 8.230 nan 0.000 0.433 254 D N -0.245 120.209 120.400 0.091 0.000 2.123 254 D HA -0.239 4.399 4.640 -0.003 0.000 0.196 254 D C 1.982 178.316 176.300 0.056 0.000 0.992 254 D CA 1.202 55.236 54.000 0.057 0.000 0.833 254 D CB -0.082 40.737 40.800 0.032 0.000 0.954 254 D HN 0.391 nan 8.370 nan 0.000 0.455 255 E N -0.094 120.154 120.200 0.079 0.000 2.058 255 E HA -0.208 4.140 4.350 -0.003 0.000 0.194 255 E C 2.112 178.772 176.600 0.100 0.000 0.997 255 E CA 0.647 57.093 56.400 0.076 0.000 0.801 255 E CB -0.268 29.486 29.700 0.089 0.000 0.746 255 E HN 0.194 nan 8.360 nan 0.000 0.450 256 F N 1.344 121.297 119.950 0.006 0.000 2.065 256 F HA -0.139 4.386 4.527 -0.003 0.000 0.298 256 F C 2.113 177.906 175.800 -0.011 0.000 1.112 256 F CA 2.356 60.355 58.000 -0.001 0.000 1.212 256 F CB -1.002 37.993 39.000 -0.009 0.000 0.975 256 F HN 0.067 nan 8.300 nan 0.000 0.476 257 G N -0.129 108.529 108.800 -0.236 0.000 2.422 257 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.218 257 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.218 257 G C 1.497 176.252 174.900 -0.241 0.000 1.146 257 G CA 0.824 45.719 45.100 -0.342 0.000 0.769 257 G HN 0.382 nan 8.290 nan 0.000 0.547 258 E N 0.263 120.386 120.200 -0.128 0.000 2.204 258 E HA -0.079 4.269 4.350 -0.003 0.000 0.195 258 E C 2.598 179.138 176.600 -0.100 0.000 0.990 258 E CA 0.774 57.122 56.400 -0.087 0.000 0.821 258 E CB -0.049 29.629 29.700 -0.036 0.000 0.750 258 E HN 0.423 nan 8.360 nan 0.000 0.477 259 Q N -0.280 119.443 119.800 -0.129 0.000 2.259 259 Q HA 0.045 4.384 4.340 -0.003 0.000 0.201 259 Q C 2.276 178.164 176.000 -0.187 0.000 0.938 259 Q CA 0.062 55.801 55.803 -0.107 0.000 0.872 259 Q CB -0.336 28.384 28.738 -0.031 0.000 0.971 259 Q HN 0.192 nan 8.270 nan 0.000 0.494 260 L N 1.038 122.027 121.223 -0.389 0.000 2.129 260 L HA -0.161 4.177 4.340 -0.003 0.000 0.212 260 L C 2.308 179.025 176.870 -0.255 0.000 1.087 260 L CA 1.794 56.363 54.840 -0.452 0.000 0.757 260 L CB -0.730 40.811 42.059 -0.864 0.000 0.896 260 L HN 0.099 nan 8.230 nan 0.000 0.434 261 S N -1.042 114.531 115.700 -0.213 0.000 2.357 261 S HA -0.179 4.289 4.470 -0.003 0.000 0.221 261 S C 2.039 176.582 174.600 -0.095 0.000 1.031 261 S CA 1.323 59.440 58.200 -0.137 0.000 0.982 261 S CB -0.116 63.014 63.200 -0.117 0.000 0.853 261 S HN 0.534 nan 8.310 nan 0.000 0.458 262 K N 0.502 120.852 120.400 -0.083 0.000 2.032 262 K HA -0.064 4.254 4.320 -0.003 0.000 0.209 262 K C 2.070 178.641 176.600 -0.049 0.000 1.048 262 K CA 1.604 57.858 56.287 -0.054 0.000 0.927 262 K CB -0.586 31.890 32.500 -0.040 0.000 0.712 262 K HN 0.242 nan 8.250 nan 0.000 0.441 263 V N 2.119 121.998 119.914 -0.058 0.000 2.282 263 V HA -0.290 3.828 4.120 -0.003 0.000 0.249 263 V C 2.255 178.317 176.094 -0.053 0.000 1.057 263 V CA 1.768 64.037 62.300 -0.052 0.000 1.032 263 V CB -0.479 31.310 31.823 -0.056 0.000 0.645 263 V HN 0.290 nan 8.190 nan 0.000 0.447 264 I N 1.018 121.552 120.570 -0.061 0.000 2.091 264 I HA -0.319 3.849 4.170 -0.003 0.000 0.239 264 I C 2.764 178.867 176.117 -0.024 0.000 1.061 264 I CA 2.229 63.502 61.300 -0.044 0.000 1.317 264 I CB -0.632 37.334 38.000 -0.056 0.000 1.031 264 I HN 0.530 nan 8.210 nan 0.000 0.401 265 S N 1.160 116.843 115.700 -0.028 0.000 2.383 265 S HA -0.182 4.286 4.470 -0.003 0.000 0.229 265 S C 2.045 176.643 174.600 -0.004 0.000 1.030 265 S CA 1.041 59.231 58.200 -0.016 0.000 1.002 265 S CB -0.988 62.196 63.200 -0.025 0.000 0.829 265 S HN 0.395 nan 8.310 nan 0.000 0.467 266 L N 0.813 122.030 121.223 -0.011 0.000 2.012 266 L HA -0.107 4.232 4.340 -0.003 0.000 0.210 266 L C 2.701 179.579 176.870 0.014 0.000 1.073 266 L CA 1.662 56.501 54.840 -0.001 0.000 0.748 266 L CB -0.602 41.447 42.059 -0.015 0.000 0.891 266 L HN 0.348 nan 8.230 nan 0.000 0.431 267 I N -0.891 119.676 120.570 -0.005 0.000 2.118 267 I HA -0.416 3.752 4.170 -0.003 0.000 0.241 267 I C 2.759 178.935 176.117 0.099 0.000 1.070 267 I CA 1.547 62.856 61.300 0.016 0.000 1.327 267 I CB -0.408 37.596 38.000 0.006 0.000 1.034 267 I HN 0.436 nan 8.210 nan 0.000 0.405 268 C N 0.097 119.441 119.300 0.073 0.000 2.376 268 C HA -0.193 4.265 4.460 -0.003 0.000 0.275 268 C C 2.852 177.914 174.990 0.120 0.000 1.200 268 C CA 0.948 60.014 59.018 0.079 0.000 1.756 268 C CB -0.962 26.802 27.740 0.041 0.000 2.050 268 C HN 0.388 nan 8.230 nan 0.000 0.460 269 V N 1.459 121.434 119.914 0.102 0.000 2.231 269 V HA -0.304 3.814 4.120 -0.003 0.000 0.248 269 V C 2.727 178.976 176.094 0.259 0.000 1.054 269 V CA 2.521 64.914 62.300 0.155 0.000 1.015 269 V CB -1.513 30.368 31.823 0.096 0.000 0.638 269 V HN 0.643 nan 8.190 nan 0.000 0.444 270 A N -0.326 122.609 122.820 0.193 0.000 1.873 270 A HA -0.224 4.094 4.320 -0.003 0.000 0.218 270 A C 2.411 180.146 177.584 0.251 0.000 1.193 270 A CA 2.524 54.689 52.037 0.213 0.000 0.629 270 A CB -0.990 18.117 19.000 0.179 0.000 0.826 270 A HN 0.327 nan 8.150 nan 0.000 0.447 271 V N -1.928 118.148 119.914 0.269 0.000 2.250 271 V HA -0.321 3.797 4.120 -0.003 0.000 0.250 271 V C 2.204 178.370 176.094 0.121 0.000 1.060 271 V CA 2.337 64.752 62.300 0.193 0.000 1.030 271 V CB -1.113 30.791 31.823 0.135 0.000 0.643 271 V HN 0.882 nan 8.190 nan 0.000 0.445 272 W N 0.377 121.652 121.300 -0.043 0.000 2.308 272 W HA -0.241 4.417 4.660 -0.003 0.000 0.301 272 W C 2.114 178.671 176.519 0.064 0.000 1.220 272 W CA 2.039 59.355 57.345 -0.049 0.000 1.240 272 W CB -0.311 29.137 29.460 -0.019 0.000 1.142 272 W HN 0.205 nan 8.180 nan 0.000 0.521 273 L N -0.098 121.145 121.223 0.034 0.000 2.109 273 L HA -0.210 4.128 4.340 -0.003 0.000 0.207 273 L C 2.318 179.127 176.870 -0.100 0.000 1.086 273 L CA 0.574 55.337 54.840 -0.129 0.000 0.760 273 L CB -0.901 41.205 42.059 0.078 0.000 0.910 273 L HN -0.070 nan 8.230 nan 0.000 0.437 274 I N -0.059 120.512 120.570 0.002 0.000 2.567 274 I HA -0.202 3.967 4.170 -0.003 0.000 0.257 274 I C 0.841 176.949 176.117 -0.014 0.000 1.184 274 I CA 1.309 62.616 61.300 0.012 0.000 1.451 274 I CB -0.938 37.089 38.000 0.045 0.000 1.089 274 I HN 0.360 nan 8.210 nan 0.000 0.441 275 N N 0.433 119.118 118.700 -0.025 0.000 2.535 275 N HA 0.120 4.859 4.740 -0.003 0.000 0.294 275 N C 1.196 176.678 175.510 -0.047 0.000 1.408 275 N CA -0.023 53.058 53.050 0.051 0.000 0.927 275 N CB 1.158 39.810 38.487 0.275 0.000 1.276 275 N HN 0.153 nan 8.380 nan 0.000 0.505 276 I N 0.346 120.801 120.570 -0.192 0.000 3.251 276 I HA 0.115 4.283 4.170 -0.003 0.000 0.277 276 I C 1.945 178.045 176.117 -0.030 0.000 1.268 276 I CA 0.513 61.666 61.300 -0.245 0.000 1.449 276 I CB -0.097 37.684 38.000 -0.366 0.000 1.083 276 I HN 0.164 nan 8.210 nan 0.000 0.464 277 G N -0.361 108.378 108.800 -0.103 0.000 2.448 277 G HA2 -0.238 3.721 3.960 -0.003 0.000 0.219 277 G HA3 -0.238 3.721 3.960 -0.003 0.000 0.219 277 G C 1.355 176.184 174.900 -0.119 0.000 1.127 277 G CA 0.425 45.451 45.100 -0.123 0.000 0.766 277 G HN 0.516 nan 8.290 nan 0.000 0.552 278 H N -0.711 118.343 119.070 -0.027 0.000 2.568 278 H HA 0.031 4.585 4.556 -0.003 0.000 0.287 278 H C 1.010 176.243 175.328 -0.158 0.000 1.084 278 H CA 0.464 56.471 56.048 -0.067 0.000 1.203 278 H CB -0.086 29.660 29.762 -0.027 0.000 1.319 278 H HN 0.409 nan 8.280 nan 0.000 0.628 279 F N 0.254 120.231 119.950 0.046 0.000 2.637 279 F HA -0.002 4.523 4.527 -0.003 0.000 0.284 279 F C 1.993 177.775 175.800 -0.030 0.000 1.105 279 F CA 0.164 58.179 58.000 0.026 0.000 1.356 279 F CB 0.417 39.431 39.000 0.024 0.000 1.096 279 F HN 0.175 nan 8.300 nan 0.000 0.616 280 N N -0.939 117.838 118.700 0.128 0.000 2.205 280 N HA -0.026 4.712 4.740 -0.003 0.000 0.201 280 N C 0.555 176.051 175.510 -0.025 0.000 1.128 280 N CA 0.951 54.025 53.050 0.040 0.000 0.867 280 N CB -0.247 38.253 38.487 0.022 0.000 0.996 280 N HN 0.394 nan 8.380 nan 0.000 0.503 281 D N -0.323 120.044 120.400 -0.054 0.000 2.461 281 D HA 0.150 4.788 4.640 -0.003 0.000 0.266 281 D C -1.842 174.392 176.300 -0.110 0.000 1.085 281 D CA -0.069 53.877 54.000 -0.090 0.000 0.887 281 D CB -1.249 39.482 40.800 -0.115 0.000 1.309 281 D HN 0.049 nan 8.370 nan 0.000 0.498 282 P HA 0.116 nan 4.420 nan 0.000 0.269 282 P C -0.001 177.159 177.300 -0.234 0.000 1.263 282 P CA -0.252 62.767 63.100 -0.134 0.000 0.813 282 P CB 1.217 32.871 31.700 -0.076 0.000 0.868 283 V N 1.814 121.585 119.914 -0.237 0.000 2.508 283 V HA 0.189 4.307 4.120 -0.003 0.000 0.281 283 V C 0.450 176.303 176.094 -0.401 0.000 1.041 283 V CA -0.939 61.157 62.300 -0.339 0.000 1.016 283 V CB -0.608 31.005 31.823 -0.349 0.000 0.984 283 V HN 0.674 nan 8.190 nan 0.000 0.478 284 H N 2.706 121.631 119.070 -0.242 0.000 3.204 284 H HA 0.358 4.912 4.556 -0.003 0.000 0.232 284 H C 0.356 175.611 175.328 -0.123 0.000 0.773 284 H CA 0.764 56.663 56.048 -0.247 0.000 1.408 284 H CB -0.937 28.712 29.762 -0.188 0.000 1.458 284 H HN 1.133 nan 8.280 nan 0.000 0.488 285 G N 1.445 110.247 108.800 0.004 0.000 2.533 285 G HA2 0.483 4.441 3.960 -0.003 0.000 0.304 285 G HA3 0.483 4.441 3.960 -0.003 0.000 0.304 285 G C 0.909 175.882 174.900 0.122 0.000 1.263 285 G CA -0.792 44.336 45.100 0.048 0.000 0.964 285 G HN 0.718 nan 8.290 nan 0.000 0.479 286 G N 0.359 109.208 108.800 0.081 0.000 2.476 286 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.218 286 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.218 286 G C 2.057 176.994 174.900 0.062 0.000 1.164 286 G CA 2.024 47.167 45.100 0.072 0.000 0.768 286 G HN 1.330 nan 8.290 nan 0.000 0.560 287 S N -1.311 114.408 115.700 0.033 0.000 2.584 287 S HA -0.093 4.376 4.470 -0.003 0.000 0.240 287 S C 1.293 175.888 174.600 -0.009 0.000 0.975 287 S CA 0.425 58.614 58.200 -0.017 0.000 0.949 287 S CB -0.404 62.760 63.200 -0.059 0.000 0.761 287 S HN 0.471 nan 8.310 nan 0.000 0.536 288 W N 1.739 122.969 121.300 -0.116 0.000 2.423 288 W HA 0.532 5.191 4.660 -0.003 0.000 0.447 288 W C 0.340 176.787 176.519 -0.120 0.000 0.711 288 W CA -0.862 56.404 57.345 -0.133 0.000 2.283 288 W CB -0.648 28.756 29.460 -0.093 0.000 0.914 288 W HN 0.302 nan 8.180 nan 0.000 0.641 289 I N -0.597 119.791 120.570 -0.304 0.000 5.285 289 I HA 0.015 4.183 4.170 -0.003 0.000 0.351 289 I C 1.857 177.811 176.117 -0.271 0.000 1.206 289 I CA -0.226 60.871 61.300 -0.338 0.000 1.527 289 I CB 0.098 37.996 38.000 -0.170 0.000 1.694 289 I HN -0.253 nan 8.210 nan 0.000 0.585 290 R N 1.332 121.702 120.500 -0.217 0.000 2.319 290 R HA 0.135 4.474 4.340 -0.003 0.000 0.204 290 R C 1.778 177.926 176.300 -0.254 0.000 0.954 290 R CA 0.757 56.755 56.100 -0.170 0.000 1.066 290 R CB 0.098 30.321 30.300 -0.128 0.000 0.991 290 R HN 0.356 nan 8.270 nan 0.000 0.486 291 G N -0.063 108.501 108.800 -0.394 0.000 2.608 291 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.210 291 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.210 291 G C 1.375 175.907 174.900 -0.613 0.000 1.139 291 G CA 0.447 45.213 45.100 -0.556 0.000 0.812 291 G HN 0.293 nan 8.290 nan 0.000 0.529 292 A N 0.902 123.414 122.820 -0.513 0.000 1.929 292 A HA 0.140 4.459 4.320 -0.003 0.000 0.216 292 A C 2.234 179.587 177.584 -0.385 0.000 1.176 292 A CA 1.062 52.797 52.037 -0.505 0.000 0.628 292 A CB -0.336 18.360 19.000 -0.505 0.000 0.816 292 A HN 0.380 nan 8.150 nan 0.000 0.444 293 I N -1.728 118.743 120.570 -0.165 0.000 2.361 293 I HA -0.242 3.927 4.170 -0.003 0.000 0.251 293 I C 2.265 178.419 176.117 0.061 0.000 1.133 293 I CA 1.677 63.000 61.300 0.038 0.000 1.413 293 I CB -0.164 37.892 38.000 0.094 0.000 1.073 293 I HN 0.526 nan 8.210 nan 0.000 0.424 294 Y N 1.022 121.214 120.300 -0.181 0.000 2.114 294 Y HA -0.319 4.230 4.550 -0.002 0.000 0.284 294 Y C 2.160 178.062 175.900 0.002 0.000 1.143 294 Y CA 1.917 59.931 58.100 -0.144 0.000 1.135 294 Y CB -0.715 37.537 38.460 -0.347 0.000 0.980 294 Y HN 0.187 nan 8.280 nan 0.000 0.499 295 Y N -1.139 119.138 120.300 -0.038 0.000 2.224 295 Y HA -0.208 4.341 4.550 -0.003 0.000 0.289 295 Y C 2.297 178.228 175.900 0.051 0.000 1.146 295 Y CA 0.862 58.910 58.100 -0.086 0.000 1.182 295 Y CB -1.260 37.152 38.460 -0.080 0.000 0.983 295 Y HN 0.152 nan 8.280 nan 0.000 0.524 296 F N 0.819 120.834 119.950 0.109 0.000 2.098 296 F HA -0.129 4.397 4.527 -0.003 0.000 0.294 296 F C 2.302 178.098 175.800 -0.007 0.000 1.107 296 F CA 1.473 59.497 58.000 0.039 0.000 1.234 296 F CB -1.097 37.914 39.000 0.018 0.000 1.002 296 F HN 0.121 nan 8.300 nan 0.000 0.472 297 K N 0.277 120.787 120.400 0.183 0.000 2.515 297 K HA -0.087 4.232 4.320 -0.003 0.000 0.196 297 K C 1.843 178.452 176.600 0.015 0.000 1.038 297 K CA 1.258 57.589 56.287 0.073 0.000 0.967 297 K CB -0.449 32.088 32.500 0.062 0.000 0.780 297 K HN 0.376 nan 8.250 nan 0.000 0.483 298 I N 0.365 120.922 120.570 -0.021 0.000 3.427 298 I HA 0.026 4.194 4.170 -0.003 0.000 0.288 298 I C 2.062 178.179 176.117 0.002 0.000 1.249 298 I CA 0.222 61.475 61.300 -0.078 0.000 1.421 298 I CB 0.191 38.045 38.000 -0.242 0.000 1.086 298 I HN 0.302 nan 8.210 nan 0.000 0.448 299 A N 0.340 123.195 122.820 0.058 0.000 1.897 299 A HA -0.148 4.171 4.320 -0.003 0.000 0.215 299 A C 2.248 179.846 177.584 0.024 0.000 1.181 299 A CA 1.689 53.763 52.037 0.063 0.000 0.620 299 A CB -0.910 18.159 19.000 0.114 0.000 0.821 299 A HN 0.382 nan 8.150 nan 0.000 0.443 300 V N -2.567 117.357 119.914 0.017 0.000 2.667 300 V HA 0.030 4.149 4.120 -0.003 0.000 0.252 300 V C 2.383 178.481 176.094 0.006 0.000 1.065 300 V CA 1.732 64.032 62.300 -0.001 0.000 1.083 300 V CB -1.179 30.642 31.823 -0.003 0.000 0.692 300 V HN 0.465 nan 8.190 nan 0.000 0.468 301 A N 0.667 123.493 122.820 0.010 0.000 1.897 301 A HA -0.041 4.277 4.320 -0.003 0.000 0.215 301 A C 2.129 179.722 177.584 0.014 0.000 1.181 301 A CA 1.885 53.930 52.037 0.013 0.000 0.620 301 A CB -0.661 18.344 19.000 0.008 0.000 0.821 301 A HN 0.585 nan 8.150 nan 0.000 0.443 302 L N -0.272 120.960 121.223 0.016 0.000 2.083 302 L HA -0.072 4.266 4.340 -0.003 0.000 0.209 302 L C 2.609 179.481 176.870 0.003 0.000 1.083 302 L CA 2.046 56.898 54.840 0.020 0.000 0.752 302 L CB -0.618 41.460 42.059 0.031 0.000 0.899 302 L HN 0.350 nan 8.230 nan 0.000 0.433 303 A N -0.766 122.050 122.820 -0.006 0.000 1.840 303 A HA -0.138 4.181 4.320 -0.003 0.000 0.214 303 A C 2.273 179.843 177.584 -0.023 0.000 1.198 303 A CA 2.057 54.080 52.037 -0.024 0.000 0.608 303 A CB -1.361 17.620 19.000 -0.032 0.000 0.839 303 A HN 0.475 nan 8.150 nan 0.000 0.443 304 V N -2.414 117.492 119.914 -0.014 0.000 2.913 304 V HA 0.050 4.169 4.120 -0.003 0.000 0.260 304 V C 2.252 178.341 176.094 -0.008 0.000 1.098 304 V CA 1.882 64.176 62.300 -0.011 0.000 1.121 304 V CB -1.030 30.796 31.823 0.005 0.000 0.714 304 V HN 0.521 nan 8.190 nan 0.000 0.487 305 A N 0.254 123.073 122.820 -0.003 0.000 2.016 305 A HA 0.428 4.746 4.320 -0.003 0.000 0.217 305 A C 2.352 179.932 177.584 -0.008 0.000 1.162 305 A CA 1.452 53.488 52.037 -0.002 0.000 0.662 305 A CB -0.602 18.404 19.000 0.010 0.000 0.812 305 A HN 0.965 nan 8.150 nan 0.000 0.450 306 A N -0.741 122.073 122.820 -0.010 0.000 2.081 306 A HA 0.410 4.728 4.320 -0.003 0.000 0.214 306 A C 0.796 178.391 177.584 0.018 0.000 1.158 306 A CA 0.118 52.151 52.037 -0.007 0.000 0.724 306 A CB -0.150 18.829 19.000 -0.035 0.000 0.826 306 A HN 0.403 nan 8.150 nan 0.000 0.463 307 I N 1.499 122.071 120.570 0.002 0.000 2.353 307 I HA 0.244 4.413 4.170 -0.003 0.000 0.293 307 I C -2.242 173.884 176.117 0.014 0.000 0.992 307 I CA -2.393 58.922 61.300 0.024 0.000 1.268 307 I CB 1.937 39.926 38.000 -0.019 0.000 1.387 307 I HN 0.010 nan 8.210 nan 0.000 0.478 308 P HA 0.156 nan 4.420 nan 0.000 0.231 308 P C -0.065 177.207 177.300 -0.045 0.000 1.811 308 P CA -0.178 62.903 63.100 -0.031 0.000 1.051 308 P CB 0.476 32.148 31.700 -0.047 0.000 1.951 309 E N 1.811 121.977 120.200 -0.057 0.000 2.114 309 E HA -0.182 4.166 4.350 -0.003 0.000 0.199 309 E C 2.298 178.844 176.600 -0.089 0.000 1.008 309 E CA 2.248 58.605 56.400 -0.070 0.000 0.810 309 E CB -0.867 28.791 29.700 -0.070 0.000 0.739 309 E HN 0.490 nan 8.360 nan 0.000 0.456 310 G N 0.079 108.812 108.800 -0.111 0.000 2.511 310 G HA2 -0.153 3.806 3.960 -0.003 0.000 0.217 310 G HA3 -0.153 3.806 3.960 -0.003 0.000 0.217 310 G C 1.401 176.220 174.900 -0.136 0.000 1.133 310 G CA 0.249 45.267 45.100 -0.136 0.000 0.792 310 G HN 0.148 nan 8.290 nan 0.000 0.539 311 L N 1.783 122.940 121.223 -0.111 0.000 2.010 311 L HA -0.068 4.271 4.340 -0.003 0.000 0.219 311 L C 0.188 177.015 176.870 -0.071 0.000 1.077 311 L CA 2.326 57.114 54.840 -0.086 0.000 0.773 311 L CB -1.140 40.892 42.059 -0.045 0.000 0.892 311 L HN 0.090 nan 8.230 nan 0.000 0.436 312 P HA -0.230 nan 4.420 nan 0.000 0.216 312 P C 1.528 178.792 177.300 -0.060 0.000 1.157 312 P CA 2.389 65.465 63.100 -0.040 0.000 0.880 312 P CB -0.237 31.436 31.700 -0.044 0.000 0.791 313 A N -0.993 121.771 122.820 -0.093 0.000 1.930 313 A HA -0.129 4.189 4.320 -0.003 0.000 0.217 313 A C 2.316 179.808 177.584 -0.153 0.000 1.175 313 A CA 1.620 53.592 52.037 -0.109 0.000 0.627 313 A CB -1.635 17.293 19.000 -0.120 0.000 0.815 313 A HN 0.017 nan 8.150 nan 0.000 0.443 314 V N 0.487 120.265 119.914 -0.228 0.000 2.255 314 V HA -0.307 3.811 4.120 -0.003 0.000 0.247 314 V C 2.434 178.315 176.094 -0.354 0.000 1.051 314 V CA 2.177 64.236 62.300 -0.402 0.000 1.018 314 V CB -0.778 30.658 31.823 -0.644 0.000 0.641 314 V HN 0.579 nan 8.190 nan 0.000 0.445 315 I N 0.823 121.295 120.570 -0.164 0.000 2.163 315 I HA -0.276 3.892 4.170 -0.003 0.000 0.243 315 I C 2.814 178.958 176.117 0.045 0.000 1.085 315 I CA 2.246 63.592 61.300 0.077 0.000 1.347 315 I CB -0.744 37.341 38.000 0.142 0.000 1.044 315 I HN 0.541 nan 8.210 nan 0.000 0.408 316 T N -1.329 113.224 114.554 -0.001 0.000 2.857 316 T HA -0.147 4.201 4.350 -0.003 0.000 0.266 316 T C 1.920 176.618 174.700 -0.004 0.000 1.048 316 T CA 1.778 63.883 62.100 0.009 0.000 1.139 316 T CB -0.803 68.065 68.868 0.000 0.000 0.874 316 T HN 0.486 nan 8.240 nan 0.000 0.455 317 T N -0.668 113.859 114.554 -0.045 0.000 2.833 317 T HA -0.117 4.231 4.350 -0.003 0.000 0.269 317 T C 2.320 177.014 174.700 -0.010 0.000 1.054 317 T CA 1.075 63.148 62.100 -0.044 0.000 1.135 317 T CB -1.413 67.399 68.868 -0.093 0.000 0.869 317 T HN 0.586 nan 8.240 nan 0.000 0.466 318 C N 0.984 120.276 119.300 -0.013 0.000 2.489 318 C HA 0.208 4.666 4.460 -0.003 0.000 0.279 318 C C 2.652 177.704 174.990 0.104 0.000 1.266 318 C CA 0.193 59.248 59.018 0.063 0.000 1.707 318 C CB -1.571 26.254 27.740 0.141 0.000 2.059 318 C HN 0.624 nan 8.230 nan 0.000 0.481 319 L N 1.513 122.793 121.223 0.094 0.000 2.042 319 L HA -0.096 4.242 4.340 -0.003 0.000 0.210 319 L C 3.077 179.985 176.870 0.063 0.000 1.076 319 L CA 1.756 56.646 54.840 0.084 0.000 0.749 319 L CB -0.855 41.250 42.059 0.077 0.000 0.893 319 L HN 0.489 nan 8.230 nan 0.000 0.432 320 A N 0.253 123.102 122.820 0.048 0.000 1.908 320 A HA -0.184 4.134 4.320 -0.003 0.000 0.218 320 A C 2.257 179.864 177.584 0.039 0.000 1.181 320 A CA 1.584 53.643 52.037 0.036 0.000 0.627 320 A CB -0.734 18.279 19.000 0.023 0.000 0.818 320 A HN 0.359 nan 8.150 nan 0.000 0.445 321 L N -0.798 120.457 121.223 0.054 0.000 1.994 321 L HA -0.127 4.211 4.340 -0.003 0.000 0.208 321 L C 2.884 179.789 176.870 0.059 0.000 1.071 321 L CA 1.232 56.107 54.840 0.058 0.000 0.745 321 L CB -1.065 41.062 42.059 0.114 0.000 0.892 321 L HN 0.477 nan 8.230 nan 0.000 0.431 322 G N -0.849 108.002 108.800 0.084 0.000 2.450 322 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.220 322 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.220 322 G C 1.537 176.466 174.900 0.049 0.000 1.130 322 G CA 1.390 46.535 45.100 0.075 0.000 0.760 322 G HN 0.303 nan 8.290 nan 0.000 0.557 323 T N 0.857 115.437 114.554 0.043 0.000 2.588 323 T HA -0.101 4.247 4.350 -0.003 0.000 0.261 323 T C 2.465 177.178 174.700 0.023 0.000 1.069 323 T CA 1.259 63.378 62.100 0.031 0.000 1.172 323 T CB -0.226 68.661 68.868 0.031 0.000 0.863 323 T HN 0.300 nan 8.240 nan 0.000 0.408 324 R N 0.707 121.218 120.500 0.020 0.000 2.154 324 R HA -0.093 4.246 4.340 -0.003 0.000 0.248 324 R C 2.634 178.939 176.300 0.008 0.000 1.155 324 R CA 1.234 57.340 56.100 0.011 0.000 0.979 324 R CB -0.254 30.048 30.300 0.004 0.000 0.869 324 R HN 0.297 nan 8.270 nan 0.000 0.452 325 R N 0.803 121.311 120.500 0.013 0.000 2.061 325 R HA -0.047 4.291 4.340 -0.003 0.000 0.230 325 R C 2.287 178.594 176.300 0.012 0.000 1.140 325 R CA 1.619 57.726 56.100 0.012 0.000 0.940 325 R CB -0.116 30.198 30.300 0.023 0.000 0.839 325 R HN 0.152 nan 8.270 nan 0.000 0.429 326 M N 0.016 119.626 119.600 0.016 0.000 2.267 326 M HA -0.159 4.320 4.480 -0.003 0.000 0.263 326 M C 2.347 178.651 176.300 0.006 0.000 1.063 326 M CA 1.636 56.943 55.300 0.010 0.000 1.090 326 M CB -0.224 32.383 32.600 0.011 0.000 1.392 326 M HN 0.298 nan 8.290 nan 0.000 0.422 327 A N 0.772 123.597 122.820 0.008 0.000 1.883 327 A HA -0.191 4.127 4.320 -0.003 0.000 0.217 327 A C 2.114 179.701 177.584 0.005 0.000 1.186 327 A CA 1.734 53.775 52.037 0.006 0.000 0.624 327 A CB -0.557 18.448 19.000 0.008 0.000 0.822 327 A HN 0.437 nan 8.150 nan 0.000 0.444 328 K N -0.290 120.113 120.400 0.004 0.000 2.211 328 K HA -0.111 4.207 4.320 -0.003 0.000 0.204 328 K C 1.000 177.601 176.600 0.003 0.000 1.047 328 K CA 1.349 57.638 56.287 0.003 0.000 0.935 328 K CB -0.123 32.379 32.500 0.002 0.000 0.728 328 K HN 0.394 nan 8.250 nan 0.000 0.452 329 K N 0.738 121.140 120.400 0.002 0.000 2.520 329 K HA 0.093 4.411 4.320 -0.003 0.000 0.205 329 K C -0.237 176.361 176.600 -0.003 0.000 1.035 329 K CA -0.098 56.189 56.287 -0.000 0.000 1.188 329 K CB 0.262 32.761 32.500 -0.002 0.000 0.894 329 K HN 0.123 nan 8.250 nan 0.000 0.497 330 N N -0.247 118.453 118.700 0.000 0.000 2.828 330 N HA -0.180 4.558 4.740 -0.003 0.000 0.248 330 N C -0.641 174.868 175.510 -0.002 0.000 1.044 330 N CA 1.149 54.200 53.050 0.001 0.000 0.851 330 N CB -0.992 37.496 38.487 0.002 0.000 1.136 330 N HN 0.320 nan 8.380 nan 0.000 0.572 331 A N 0.958 123.776 122.820 -0.004 0.000 2.412 331 A HA 0.585 4.904 4.320 -0.003 0.000 0.334 331 A C 0.528 178.112 177.584 -0.000 0.000 1.419 331 A CA -0.417 51.615 52.037 -0.007 0.000 0.930 331 A CB 0.089 19.080 19.000 -0.015 0.000 1.149 331 A HN 0.256 nan 8.150 nan 0.000 0.515 332 I N 3.410 123.981 120.570 0.003 0.000 2.347 332 I HA 0.121 4.289 4.170 -0.003 0.000 0.294 332 I C -0.309 175.812 176.117 0.007 0.000 1.090 332 I CA -0.073 61.231 61.300 0.007 0.000 1.314 332 I CB 0.887 38.892 38.000 0.009 0.000 1.423 332 I HN 0.272 nan 8.210 nan 0.000 0.503 333 V N 7.521 127.440 119.914 0.010 0.000 2.481 333 V HA 0.423 4.541 4.120 -0.003 0.000 0.286 333 V C 0.328 176.430 176.094 0.014 0.000 1.042 333 V CA -0.700 61.606 62.300 0.011 0.000 0.928 333 V CB 1.331 33.162 31.823 0.013 0.000 0.986 333 V HN 0.663 nan 8.190 nan 0.000 0.462 334 R N 2.602 123.110 120.500 0.013 0.000 2.514 334 R HA 0.657 4.995 4.340 -0.003 0.000 0.301 334 R C -0.238 176.071 176.300 0.015 0.000 0.962 334 R CA -0.384 55.725 56.100 0.015 0.000 0.882 334 R CB 1.706 32.013 30.300 0.012 0.000 1.143 334 R HN 0.843 nan 8.270 nan 0.000 0.452 335 S N 2.471 118.182 115.700 0.019 0.000 3.576 335 S HA -0.091 4.378 4.470 -0.003 0.000 0.658 335 S C 0.836 175.450 174.600 0.023 0.000 0.560 335 S CA -0.248 57.964 58.200 0.020 0.000 1.438 335 S CB -0.683 62.526 63.200 0.015 0.000 0.937 335 S HN 0.712 nan 8.310 nan 0.000 0.998 336 L N 4.840 126.080 121.223 0.029 0.000 2.013 336 L HA -0.104 4.235 4.340 -0.003 0.000 0.212 336 L C -0.186 176.706 176.870 0.036 0.000 1.073 336 L CA 1.869 56.730 54.840 0.035 0.000 0.753 336 L CB -1.650 40.433 42.059 0.040 0.000 0.890 336 L HN 0.482 nan 8.230 nan 0.000 0.432 337 P HA -0.181 nan 4.420 nan 0.000 0.218 337 P C 1.814 179.126 177.300 0.019 0.000 1.146 337 P CA 1.399 64.517 63.100 0.030 0.000 0.820 337 P CB 0.026 31.740 31.700 0.024 0.000 0.778 338 S N -1.221 114.488 115.700 0.015 0.000 2.419 338 S HA -0.110 4.359 4.470 -0.003 0.000 0.233 338 S C 1.833 176.435 174.600 0.003 0.000 1.016 338 S CA 0.747 58.950 58.200 0.005 0.000 0.974 338 S CB -1.024 62.179 63.200 0.005 0.000 0.786 338 S HN -0.085 nan 8.310 nan 0.000 0.492 339 V N 1.695 121.620 119.914 0.017 0.000 2.317 339 V HA -0.253 3.865 4.120 -0.003 0.000 0.251 339 V C 2.425 178.526 176.094 0.012 0.000 1.065 339 V CA 2.294 64.609 62.300 0.024 0.000 1.049 339 V CB -0.618 31.233 31.823 0.048 0.000 0.651 339 V HN 0.582 nan 8.190 nan 0.000 0.450 340 E N 0.564 120.767 120.200 0.005 0.000 2.001 340 E HA -0.255 4.093 4.350 -0.003 0.000 0.195 340 E C 2.340 178.875 176.600 -0.109 0.000 1.002 340 E CA 2.340 58.704 56.400 -0.060 0.000 0.819 340 E CB -0.343 29.311 29.700 -0.076 0.000 0.769 340 E HN 0.759 nan 8.360 nan 0.000 0.454 341 T N 0.662 115.166 114.554 -0.084 0.000 2.802 341 T HA -0.237 4.112 4.350 -0.003 0.000 0.269 341 T C 1.945 176.611 174.700 -0.056 0.000 1.062 341 T CA 1.412 63.467 62.100 -0.075 0.000 1.133 341 T CB -0.430 68.412 68.868 -0.044 0.000 0.852 341 T HN 0.165 nan 8.240 nan 0.000 0.485 342 L N 2.341 123.540 121.223 -0.041 0.000 2.027 342 L HA 0.266 4.604 4.340 -0.003 0.000 0.206 342 L C 2.720 179.568 176.870 -0.037 0.000 1.074 342 L CA 2.041 56.862 54.840 -0.031 0.000 0.745 342 L CB -1.377 40.670 42.059 -0.020 0.000 0.898 342 L HN 0.348 nan 8.230 nan 0.000 0.433 343 G N -1.229 107.545 108.800 -0.043 0.000 2.479 343 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.220 343 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.220 343 G C 1.198 176.064 174.900 -0.056 0.000 1.115 343 G CA 1.069 46.145 45.100 -0.040 0.000 0.757 343 G HN 0.610 nan 8.290 nan 0.000 0.560 344 C N 1.424 120.676 119.300 -0.080 0.000 2.754 344 C HA 0.303 4.761 4.460 -0.003 0.000 0.276 344 C C 1.578 176.546 174.990 -0.036 0.000 1.264 344 C CA -0.585 58.391 59.018 -0.070 0.000 1.700 344 C CB -1.531 26.146 27.740 -0.105 0.000 1.885 344 C HN 0.478 nan 8.230 nan 0.000 0.607 345 T N 0.021 114.559 114.554 -0.027 0.000 2.822 345 T HA 0.021 4.369 4.350 -0.003 0.000 0.288 345 T C 1.068 175.770 174.700 0.002 0.000 0.991 345 T CA 0.993 63.087 62.100 -0.010 0.000 1.176 345 T CB 0.844 69.706 68.868 -0.010 0.000 0.951 345 T HN 0.502 nan 8.240 nan 0.000 0.526 346 S N 3.207 118.915 115.700 0.014 0.000 2.387 346 S HA 0.174 4.642 4.470 -0.003 0.000 0.221 346 S C 0.525 175.145 174.600 0.034 0.000 1.041 346 S CA 0.180 58.395 58.200 0.024 0.000 0.959 346 S CB 0.078 63.298 63.200 0.033 0.000 0.843 346 S HN 0.685 nan 8.310 nan 0.000 0.488 347 V N 1.693 121.633 119.914 0.044 0.000 2.735 347 V HA 0.569 4.687 4.120 -0.003 0.000 0.310 347 V C -0.897 175.235 176.094 0.062 0.000 1.061 347 V CA -0.776 61.558 62.300 0.057 0.000 0.913 347 V CB 1.819 33.687 31.823 0.074 0.000 1.005 347 V HN 0.367 nan 8.190 nan 0.000 0.428 348 I N 2.967 123.585 120.570 0.080 0.000 2.411 348 I HA 0.368 4.536 4.170 -0.003 0.000 0.284 348 I C -0.704 175.490 176.117 0.128 0.000 1.012 348 I CA -0.170 61.191 61.300 0.103 0.000 1.119 348 I CB 1.528 39.609 38.000 0.135 0.000 1.261 348 I HN 0.533 nan 8.210 nan 0.000 0.448 349 C N 4.404 123.771 119.300 0.112 0.000 2.265 349 C HA 0.503 4.961 4.460 -0.003 0.000 0.332 349 C C 0.697 175.758 174.990 0.118 0.000 1.248 349 C CA -0.333 58.752 59.018 0.112 0.000 1.727 349 C CB 0.245 28.045 27.740 0.099 0.000 2.348 349 C HN 0.757 nan 8.230 nan 0.000 0.519 350 S N 2.817 118.589 115.700 0.120 0.000 2.502 350 S HA 0.338 4.807 4.470 -0.003 0.000 0.304 350 S C -0.647 173.996 174.600 0.071 0.000 1.097 350 S CA -0.542 57.736 58.200 0.131 0.000 1.045 350 S CB 0.573 63.912 63.200 0.232 0.000 1.019 350 S HN 0.757 nan 8.310 nan 0.000 0.481 351 D N 3.153 123.595 120.400 0.070 0.000 2.399 351 D HA 0.074 4.712 4.640 -0.003 0.000 0.241 351 D C 0.841 177.159 176.300 0.031 0.000 1.133 351 D CA 0.046 54.075 54.000 0.048 0.000 0.890 351 D CB 1.117 41.945 40.800 0.047 0.000 1.201 351 D HN 0.602 nan 8.370 nan 0.000 0.432 352 K N 0.960 121.369 120.400 0.015 0.000 2.005 352 K HA -0.143 4.175 4.320 -0.003 0.000 0.214 352 K C 1.968 178.572 176.600 0.007 0.000 1.030 352 K CA 1.463 57.746 56.287 -0.007 0.000 0.955 352 K CB -0.662 31.832 32.500 -0.010 0.000 0.767 352 K HN 0.514 nan 8.250 nan 0.000 0.446 353 T N -0.860 113.703 114.554 0.016 0.000 2.624 353 T HA -0.208 4.140 4.350 -0.003 0.000 0.266 353 T C 1.996 176.714 174.700 0.030 0.000 1.050 353 T CA 2.354 64.467 62.100 0.022 0.000 1.163 353 T CB -1.269 67.616 68.868 0.028 0.000 0.861 353 T HN 0.498 nan 8.240 nan 0.000 0.443 354 G N 0.478 109.300 108.800 0.036 0.000 2.421 354 G HA2 -0.118 3.841 3.960 -0.003 0.000 0.216 354 G HA3 -0.118 3.841 3.960 -0.003 0.000 0.216 354 G C 1.942 176.871 174.900 0.050 0.000 1.171 354 G CA 1.934 47.060 45.100 0.043 0.000 0.775 354 G HN 0.792 nan 8.290 nan 0.000 0.543 355 T N -1.716 112.874 114.554 0.059 0.000 3.046 355 T HA 0.230 4.578 4.350 -0.003 0.000 0.242 355 T C 2.438 177.192 174.700 0.089 0.000 1.018 355 T CA 0.295 62.449 62.100 0.089 0.000 1.131 355 T CB -0.240 68.704 68.868 0.127 0.000 0.904 355 T HN 0.111 nan 8.240 nan 0.000 0.459 356 L N 2.053 123.293 121.223 0.029 0.000 2.109 356 L HA 0.155 4.493 4.340 -0.003 0.000 0.207 356 L C 2.094 178.947 176.870 -0.027 0.000 1.086 356 L CA 1.204 56.012 54.840 -0.054 0.000 0.760 356 L CB -0.631 41.337 42.059 -0.152 0.000 0.910 356 L HN 0.556 nan 8.230 nan 0.000 0.437 357 T N -5.429 109.120 114.554 -0.008 0.000 2.855 357 T HA 0.214 4.562 4.350 -0.003 0.000 0.275 357 T C 0.801 175.509 174.700 0.013 0.000 1.022 357 T CA -0.094 62.004 62.100 -0.003 0.000 0.977 357 T CB 1.366 70.231 68.868 -0.004 0.000 1.559 357 T HN -0.098 nan 8.240 nan 0.000 0.600 358 T N 0.193 114.752 114.554 0.009 0.000 2.990 358 T HA 0.213 4.561 4.350 -0.003 0.000 0.250 358 T C 0.779 175.496 174.700 0.027 0.000 1.041 358 T CA 0.351 62.459 62.100 0.015 0.000 1.010 358 T CB -0.476 68.390 68.868 -0.003 0.000 1.003 358 T HN 0.811 nan 8.240 nan 0.000 0.499 359 N N 1.621 120.339 118.700 0.030 0.000 2.776 359 N HA -0.179 4.560 4.740 -0.003 0.000 0.249 359 N C -0.639 174.921 175.510 0.084 0.000 1.111 359 N CA 0.467 53.550 53.050 0.056 0.000 0.711 359 N CB -1.423 37.100 38.487 0.061 0.000 1.065 359 N HN 0.513 nan 8.380 nan 0.000 0.556 360 Q N 0.314 120.129 119.800 0.025 0.000 2.413 360 Q HA 0.304 4.642 4.340 -0.003 0.000 0.258 360 Q C -0.157 175.784 176.000 -0.098 0.000 1.037 360 Q CA -0.582 55.180 55.803 -0.068 0.000 0.764 360 Q CB 0.853 29.493 28.738 -0.163 0.000 1.217 360 Q HN 0.254 nan 8.270 nan 0.000 0.490 361 M N 1.326 120.939 119.600 0.021 0.000 2.283 361 M HA 0.447 4.925 4.480 -0.003 0.000 0.314 361 M C 0.155 176.446 176.300 -0.015 0.000 1.153 361 M CA -0.106 55.224 55.300 0.050 0.000 1.084 361 M CB 1.257 33.950 32.600 0.154 0.000 1.468 361 M HN 0.588 nan 8.290 nan 0.000 0.474 362 S N -0.185 115.513 115.700 -0.002 0.000 2.583 362 S HA 0.437 4.905 4.470 -0.003 0.000 0.294 362 S C -1.139 173.454 174.600 -0.013 0.000 1.121 362 S CA -1.119 57.072 58.200 -0.016 0.000 0.910 362 S CB 0.445 63.596 63.200 -0.082 0.000 1.102 362 S HN 0.362 nan 8.310 nan 0.000 0.451 363 V N 2.633 122.546 119.914 -0.002 0.000 2.521 363 V HA 0.160 4.278 4.120 -0.003 0.000 0.286 363 V C 0.986 177.052 176.094 -0.046 0.000 1.034 363 V CA -0.261 62.033 62.300 -0.010 0.000 1.045 363 V CB 0.223 32.049 31.823 0.005 0.000 0.974 363 V HN 1.183 nan 8.190 nan 0.000 0.480 364 C N 3.689 122.938 119.300 -0.084 0.000 2.820 364 C HA 0.297 4.755 4.460 -0.003 0.000 0.323 364 C C 0.963 175.839 174.990 -0.190 0.000 1.279 364 C CA -0.195 58.743 59.018 -0.134 0.000 1.790 364 C CB -0.558 27.082 27.740 -0.166 0.000 2.328 364 C HN 0.827 nan 8.230 nan 0.000 0.579 365 K N 0.134 120.385 120.400 -0.247 0.000 2.498 365 K HA 0.689 5.008 4.320 -0.003 0.000 0.254 365 K C -1.134 175.530 176.600 0.106 0.000 0.933 365 K CA -0.131 55.968 56.287 -0.313 0.000 0.806 365 K CB 2.141 33.877 32.500 -1.274 0.000 1.301 365 K HN 0.118 nan 8.250 nan 0.000 0.432 366 M N 1.970 121.789 119.600 0.366 0.000 2.691 366 M HA 0.641 5.119 4.480 -0.003 0.000 0.293 366 M C -1.405 175.282 176.300 0.645 0.000 1.259 366 M CA -1.092 54.480 55.300 0.453 0.000 0.827 366 M CB 1.979 34.759 32.600 0.300 0.000 1.753 366 M HN 0.647 nan 8.290 nan 0.000 0.465 367 F N 1.520 121.628 119.950 0.264 0.000 2.660 367 F HA 0.717 5.243 4.527 -0.003 0.000 0.320 367 F C -2.325 173.507 175.800 0.053 0.000 1.099 367 F CA -1.523 56.538 58.000 0.102 0.000 1.061 367 F CB 0.583 39.635 39.000 0.087 0.000 1.300 367 F HN 0.522 nan 8.300 nan 0.000 0.479 368 I N 2.182 122.963 120.570 0.351 0.000 2.892 368 I HA 0.633 4.801 4.170 -0.003 0.000 0.306 368 I C -0.723 175.584 176.117 0.317 0.000 1.078 368 I CA -1.389 60.038 61.300 0.212 0.000 1.032 368 I CB 2.115 40.175 38.000 0.099 0.000 1.229 368 I HN 0.447 nan 8.210 nan 0.000 0.435 369 I N 3.239 123.990 120.570 0.301 0.000 2.533 369 I HA 0.008 4.176 4.170 -0.003 0.000 0.284 369 I C 1.059 177.277 176.117 0.168 0.000 1.109 369 I CA 0.516 61.974 61.300 0.262 0.000 1.412 369 I CB 0.224 38.387 38.000 0.273 0.000 1.396 369 I HN 0.862 nan 8.210 nan 0.000 0.543 370 D N 5.280 125.756 120.400 0.127 0.000 2.369 370 D HA 0.005 4.643 4.640 -0.003 0.000 0.231 370 D C 0.440 176.797 176.300 0.096 0.000 0.967 370 D CA 0.623 54.690 54.000 0.111 0.000 0.905 370 D CB 0.987 41.834 40.800 0.077 0.000 1.044 370 D HN 0.560 nan 8.370 nan 0.000 0.487 371 K N 0.287 120.738 120.400 0.085 0.000 2.543 371 K HA 0.414 4.732 4.320 -0.003 0.000 0.255 371 K C -1.995 174.656 176.600 0.086 0.000 0.934 371 K CA -0.671 55.663 56.287 0.078 0.000 0.810 371 K CB 2.531 35.067 32.500 0.061 0.000 1.315 371 K HN -0.182 nan 8.250 nan 0.000 0.433 372 V N 2.679 122.647 119.914 0.089 0.000 2.525 372 V HA 0.505 4.624 4.120 -0.003 0.000 0.299 372 V C -1.486 174.666 176.094 0.097 0.000 1.034 372 V CA -0.615 61.740 62.300 0.092 0.000 0.863 372 V CB 1.669 33.545 31.823 0.088 0.000 0.999 372 V HN 0.888 nan 8.190 nan 0.000 0.423 373 D N 3.214 123.688 120.400 0.123 0.000 2.548 373 D HA 0.536 5.175 4.640 -0.003 0.000 0.214 373 D C 0.390 176.799 176.300 0.182 0.000 1.345 373 D CA 1.108 55.193 54.000 0.142 0.000 0.945 373 D CB 1.555 42.443 40.800 0.147 0.000 1.499 373 D HN 1.000 nan 8.370 nan 0.000 0.579 374 G N 4.174 113.033 108.800 0.098 0.000 2.583 374 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.292 374 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.292 374 G C 0.544 175.400 174.900 -0.074 0.000 1.203 374 G CA 0.535 45.646 45.100 0.019 0.000 0.987 374 G HN 0.563 nan 8.290 nan 0.000 0.554 375 D N 0.461 120.696 120.400 -0.274 0.000 2.350 375 D HA 0.176 4.815 4.640 -0.003 0.000 0.213 375 D C 0.720 176.857 176.300 -0.272 0.000 1.031 375 D CA 0.256 54.081 54.000 -0.293 0.000 0.861 375 D CB 0.057 40.629 40.800 -0.380 0.000 0.926 375 D HN 0.168 nan 8.370 nan 0.000 0.520 376 F N 1.325 121.271 119.950 -0.007 0.000 2.504 376 F HA 0.152 4.677 4.527 -0.003 0.000 0.369 376 F C 0.823 176.619 175.800 -0.007 0.000 1.082 376 F CA -0.672 57.323 58.000 -0.009 0.000 1.216 376 F CB 0.607 39.605 39.000 -0.004 0.000 1.108 376 F HN -0.142 nan 8.300 nan 0.000 0.554 377 C N 3.349 122.742 119.300 0.154 0.000 2.698 377 C HA 0.802 5.260 4.460 -0.003 0.000 0.309 377 C C -0.620 174.403 174.990 0.054 0.000 1.186 377 C CA -0.484 58.581 59.018 0.079 0.000 1.474 377 C CB 1.042 28.796 27.740 0.022 0.000 2.020 377 C HN 0.876 nan 8.230 nan 0.000 0.474 378 S N 5.654 121.378 115.700 0.040 0.000 2.677 378 S HA 0.748 5.217 4.470 -0.003 0.000 0.283 378 S C -0.967 173.634 174.600 0.001 0.000 1.159 378 S CA -0.456 57.752 58.200 0.012 0.000 1.001 378 S CB 0.741 63.956 63.200 0.025 0.000 1.032 378 S HN 0.640 nan 8.310 nan 0.000 0.487 379 L N 3.305 124.492 121.223 -0.060 0.000 2.855 379 L HA 0.661 4.999 4.340 -0.003 0.000 0.204 379 L C 0.577 177.402 176.870 -0.076 0.000 1.206 379 L CA -0.201 54.593 54.840 -0.077 0.000 0.942 379 L CB 0.126 42.010 42.059 -0.291 0.000 1.832 379 L HN 0.873 nan 8.230 nan 0.000 0.522 380 N N -0.883 117.749 118.700 -0.114 0.000 2.679 380 N HA 0.134 4.872 4.740 -0.003 0.000 0.240 380 N C -1.424 173.767 175.510 -0.533 0.000 1.537 380 N CA -0.182 52.682 53.050 -0.311 0.000 0.793 380 N CB 0.456 38.778 38.487 -0.276 0.000 1.391 380 N HN 0.464 nan 8.380 nan 0.000 0.524 381 E N 0.464 120.471 120.200 -0.321 0.000 2.415 381 E HA 0.121 4.469 4.350 -0.003 0.000 0.262 381 E C -0.517 175.852 176.600 -0.385 0.000 1.038 381 E CA 0.650 56.970 56.400 -0.133 0.000 0.921 381 E CB 0.764 30.488 29.700 0.040 0.000 0.950 381 E HN 0.194 nan 8.360 nan 0.000 0.438 382 F N -0.196 119.816 119.950 0.102 0.000 2.790 382 F HA 0.474 5.000 4.527 -0.003 0.000 0.337 382 F C 0.177 175.957 175.800 -0.032 0.000 1.163 382 F CA -0.812 57.184 58.000 -0.008 0.000 0.997 382 F CB 1.828 40.794 39.000 -0.057 0.000 1.437 382 F HN 0.322 nan 8.300 nan 0.000 0.512 383 S N 0.141 115.954 115.700 0.188 0.000 2.556 383 S HA 0.875 5.343 4.470 -0.003 0.000 0.271 383 S C -1.752 172.843 174.600 -0.008 0.000 1.135 383 S CA -0.299 57.916 58.200 0.025 0.000 0.858 383 S CB 1.199 64.400 63.200 0.000 0.000 1.114 383 S HN 0.374 nan 8.310 nan 0.000 0.468 384 I N 2.037 122.579 120.570 -0.047 0.000 2.865 384 I HA 0.562 4.731 4.170 -0.003 0.000 0.302 384 I C 0.069 176.151 176.117 -0.058 0.000 1.140 384 I CA -0.323 60.943 61.300 -0.057 0.000 1.021 384 I CB 2.509 40.474 38.000 -0.059 0.000 1.233 384 I HN 0.792 nan 8.210 nan 0.000 0.427 385 T N -0.043 114.478 114.554 -0.055 0.000 2.930 385 T HA 0.897 5.245 4.350 -0.003 0.000 0.290 385 T C -0.107 174.563 174.700 -0.049 0.000 1.052 385 T CA -0.571 61.499 62.100 -0.049 0.000 1.017 385 T CB 1.729 70.573 68.868 -0.041 0.000 1.137 385 T HN 1.581 nan 8.240 nan 0.000 0.511 386 G N 0.408 109.180 108.800 -0.046 0.000 3.445 386 G HA2 0.119 4.077 3.960 -0.003 0.000 0.686 386 G HA3 0.119 4.077 3.960 -0.003 0.000 0.686 386 G C 0.337 175.199 174.900 -0.063 0.000 1.113 386 G CA 0.222 45.294 45.100 -0.046 0.000 0.974 386 G HN 1.602 nan 8.290 nan 0.000 0.492 387 S N 0.706 116.363 115.700 -0.071 0.000 2.439 387 S HA 0.184 4.653 4.470 -0.003 0.000 0.224 387 S C 1.393 175.888 174.600 -0.176 0.000 1.029 387 S CA 1.682 59.818 58.200 -0.108 0.000 0.946 387 S CB 0.143 63.289 63.200 -0.091 0.000 0.797 387 S HN 1.057 nan 8.310 nan 0.000 0.504 388 T N 1.687 116.162 114.554 -0.130 0.000 2.766 388 T HA 0.233 4.582 4.350 -0.003 0.000 0.295 388 T C 0.147 174.754 174.700 -0.154 0.000 1.024 388 T CA -0.041 61.962 62.100 -0.161 0.000 1.018 388 T CB 0.088 68.955 68.868 -0.002 0.000 1.002 388 T HN 0.275 nan 8.240 nan 0.000 0.532 389 Y N 0.237 120.563 120.300 0.044 0.000 2.578 389 Y HA 0.339 4.887 4.550 -0.003 0.000 0.297 389 Y C 1.574 177.442 175.900 -0.054 0.000 1.176 389 Y CA -0.708 57.395 58.100 0.005 0.000 1.315 389 Y CB -1.014 37.465 38.460 0.031 0.000 1.031 389 Y HN 0.600 nan 8.280 nan 0.000 0.524 390 A N 2.629 125.509 122.820 0.099 0.000 2.492 390 A HA 0.151 4.469 4.320 -0.003 0.000 0.254 390 A C -1.777 175.713 177.584 -0.157 0.000 1.091 390 A CA -1.162 50.867 52.037 -0.014 0.000 0.768 390 A CB -0.193 18.958 19.000 0.252 0.000 1.028 390 A HN 0.094 nan 8.150 nan 0.000 0.498 391 P HA 0.087 nan 4.420 nan 0.000 0.232 391 P C -0.845 176.379 177.300 -0.127 0.000 1.738 391 P CA 0.538 63.499 63.100 -0.232 0.000 0.948 391 P CB -0.496 31.016 31.700 -0.313 0.000 1.943 392 E N 0.628 120.785 120.200 -0.071 0.000 2.316 392 E HA 0.656 5.004 4.350 -0.003 0.000 0.254 392 E C 0.116 176.695 176.600 -0.035 0.000 0.902 392 E CA -0.811 55.569 56.400 -0.034 0.000 0.801 392 E CB 1.956 31.660 29.700 0.006 0.000 1.270 392 E HN 0.279 nan 8.360 nan 0.000 0.414 393 G N 2.196 110.972 108.800 -0.041 0.000 2.321 393 G HA2 0.211 4.170 3.960 -0.003 0.000 0.298 393 G HA3 0.211 4.170 3.960 -0.003 0.000 0.298 393 G C -1.555 173.313 174.900 -0.052 0.000 1.385 393 G CA -0.801 44.273 45.100 -0.043 0.000 0.856 393 G HN 0.295 nan 8.290 nan 0.000 0.584 394 E N -1.196 118.971 120.200 -0.054 0.000 2.369 394 E HA 0.592 4.940 4.350 -0.003 0.000 0.270 394 E C -0.949 175.601 176.600 -0.084 0.000 0.909 394 E CA -0.936 55.424 56.400 -0.067 0.000 0.775 394 E CB 3.041 32.710 29.700 -0.051 0.000 1.270 394 E HN 0.337 nan 8.360 nan 0.000 0.445 395 V N 2.617 122.457 119.914 -0.123 0.000 2.439 395 V HA 0.436 4.554 4.120 -0.003 0.000 0.282 395 V C -0.115 175.891 176.094 -0.145 0.000 1.039 395 V CA -0.499 61.693 62.300 -0.180 0.000 0.913 395 V CB 0.565 32.185 31.823 -0.337 0.000 0.983 395 V HN 0.400 nan 8.190 nan 0.000 0.460 396 L N 3.281 124.468 121.223 -0.060 0.000 2.371 396 L HA 0.758 5.097 4.340 -0.003 0.000 0.262 396 L C -0.703 176.282 176.870 0.192 0.000 1.006 396 L CA -1.064 53.795 54.840 0.031 0.000 0.818 396 L CB 2.111 44.184 42.059 0.023 0.000 1.354 396 L HN 0.467 nan 8.230 nan 0.000 0.415 397 K N 1.876 122.400 120.400 0.207 0.000 2.483 397 K HA 0.412 4.731 4.320 -0.003 0.000 0.256 397 K C -0.444 176.221 176.600 0.109 0.000 0.961 397 K CA -0.196 56.230 56.287 0.230 0.000 0.873 397 K CB 0.505 33.185 32.500 0.299 0.000 1.107 397 K HN 0.620 nan 8.250 nan 0.000 0.432 398 N N 4.458 123.198 118.700 0.067 0.000 2.780 398 N HA -0.187 4.552 4.740 -0.003 0.000 0.248 398 N C -0.990 174.542 175.510 0.036 0.000 1.102 398 N CA 1.327 54.401 53.050 0.039 0.000 0.697 398 N CB -1.009 37.500 38.487 0.036 0.000 1.028 398 N HN 0.942 nan 8.380 nan 0.000 0.554 399 D N -2.327 118.095 120.400 0.036 0.000 2.946 399 D HA -0.182 4.457 4.640 -0.003 0.000 0.202 399 D C -0.163 176.153 176.300 0.026 0.000 1.068 399 D CA 1.317 55.331 54.000 0.023 0.000 1.011 399 D CB -0.830 39.976 40.800 0.011 0.000 1.105 399 D HN 0.587 nan 8.370 nan 0.000 0.425 400 K N 1.640 122.066 120.400 0.042 0.000 2.234 400 K HA 0.313 4.632 4.320 -0.003 0.000 0.277 400 K C -2.293 174.332 176.600 0.042 0.000 1.038 400 K CA -1.462 54.850 56.287 0.041 0.000 0.888 400 K CB 1.657 34.189 32.500 0.053 0.000 1.091 400 K HN -0.006 nan 8.250 nan 0.000 0.467 401 P HA 0.003 nan 4.420 nan 0.000 0.266 401 P C -0.452 176.855 177.300 0.011 0.000 1.193 401 P CA 0.516 63.616 63.100 -0.000 0.000 0.770 401 P CB 0.815 32.511 31.700 -0.007 0.000 0.836 402 I N 0.821 121.376 120.570 -0.025 0.000 3.095 402 I HA 0.386 4.554 4.170 -0.003 0.000 0.310 402 I C 0.496 176.592 176.117 -0.035 0.000 1.196 402 I CA -1.259 60.041 61.300 0.001 0.000 0.985 402 I CB 2.893 40.905 38.000 0.020 0.000 1.250 402 I HN 0.203 nan 8.210 nan 0.000 0.446 403 R N 1.750 122.266 120.500 0.026 0.000 2.204 403 R HA 0.307 4.645 4.340 -0.003 0.000 0.341 403 R C 0.603 176.924 176.300 0.035 0.000 1.035 403 R CA -0.052 56.052 56.100 0.005 0.000 0.887 403 R CB 0.945 31.254 30.300 0.016 0.000 1.114 403 R HN 0.757 nan 8.270 nan 0.000 0.473 404 S N 2.723 118.386 115.700 -0.063 0.000 2.392 404 S HA -0.205 4.263 4.470 -0.003 0.000 0.232 404 S C 1.881 176.506 174.600 0.042 0.000 1.041 404 S CA 1.594 59.744 58.200 -0.082 0.000 1.026 404 S CB -0.181 62.916 63.200 -0.173 0.000 0.845 404 S HN 0.905 nan 8.310 nan 0.000 0.465 405 G N 1.254 110.037 108.800 -0.029 0.000 2.469 405 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.220 405 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.220 405 G C 1.159 176.045 174.900 -0.024 0.000 1.136 405 G CA 0.737 45.800 45.100 -0.062 0.000 0.759 405 G HN 0.558 nan 8.290 nan 0.000 0.562 406 Q N -0.725 119.064 119.800 -0.019 0.000 2.576 406 Q HA 0.004 4.343 4.340 -0.003 0.000 0.218 406 Q C -0.436 175.281 176.000 -0.472 0.000 0.983 406 Q CA 0.288 55.958 55.803 -0.222 0.000 0.920 406 Q CB -0.107 28.463 28.738 -0.280 0.000 0.973 406 Q HN 0.529 nan 8.270 nan 0.000 0.528 407 F N -0.606 119.340 119.950 -0.006 0.000 2.507 407 F HA 0.202 4.728 4.527 -0.003 0.000 0.325 407 F C 0.728 176.522 175.800 -0.011 0.000 1.116 407 F CA -1.019 56.999 58.000 0.031 0.000 0.930 407 F CB 1.584 40.652 39.000 0.113 0.000 1.146 407 F HN -0.191 nan 8.300 nan 0.000 0.447 408 D N 2.310 122.791 120.400 0.136 0.000 2.113 408 D HA -0.076 4.562 4.640 -0.003 0.000 0.206 408 D C 2.279 178.619 176.300 0.066 0.000 0.979 408 D CA 1.494 55.532 54.000 0.062 0.000 0.862 408 D CB -0.485 40.339 40.800 0.041 0.000 1.013 408 D HN 0.815 nan 8.370 nan 0.000 0.455 409 G N 1.672 110.531 108.800 0.098 0.000 2.661 409 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.224 409 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.224 409 G C 1.794 176.707 174.900 0.023 0.000 1.114 409 G CA 0.807 45.941 45.100 0.057 0.000 0.751 409 G HN 0.224 nan 8.290 nan 0.000 0.609 410 L N 0.546 121.814 121.223 0.075 0.000 2.072 410 L HA -0.067 4.271 4.340 -0.003 0.000 0.205 410 L C 3.184 180.004 176.870 -0.083 0.000 1.079 410 L CA 1.206 56.052 54.840 0.009 0.000 0.752 410 L CB -0.833 41.248 42.059 0.037 0.000 0.906 410 L HN 0.289 nan 8.230 nan 0.000 0.436 411 V N -2.038 117.814 119.914 -0.103 0.000 2.380 411 V HA -0.311 3.807 4.120 -0.003 0.000 0.251 411 V C 2.120 178.110 176.094 -0.174 0.000 1.063 411 V CA 2.150 64.323 62.300 -0.210 0.000 1.055 411 V CB -0.611 31.075 31.823 -0.228 0.000 0.657 411 V HN 0.520 nan 8.190 nan 0.000 0.455 412 E N 0.168 120.290 120.200 -0.129 0.000 2.008 412 E HA -0.150 4.198 4.350 -0.003 0.000 0.191 412 E C 2.232 178.703 176.600 -0.216 0.000 0.986 412 E CA 1.380 57.681 56.400 -0.164 0.000 0.807 412 E CB -0.277 29.358 29.700 -0.107 0.000 0.766 412 E HN 0.646 nan 8.360 nan 0.000 0.450 413 L N 0.589 121.711 121.223 -0.170 0.000 2.123 413 L HA -0.316 4.023 4.340 -0.003 0.000 0.217 413 L C 2.292 179.059 176.870 -0.170 0.000 1.081 413 L CA 1.970 56.708 54.840 -0.170 0.000 0.772 413 L CB -0.275 41.709 42.059 -0.125 0.000 0.890 413 L HN 0.236 nan 8.230 nan 0.000 0.437 414 A N -0.749 121.971 122.820 -0.166 0.000 1.872 414 A HA -0.194 4.125 4.320 -0.003 0.000 0.214 414 A C 2.355 179.832 177.584 -0.177 0.000 1.187 414 A CA 2.035 53.978 52.037 -0.156 0.000 0.614 414 A CB -1.161 17.741 19.000 -0.164 0.000 0.826 414 A HN 0.639 nan 8.150 nan 0.000 0.442 415 T N -0.733 113.682 114.554 -0.233 0.000 2.708 415 T HA -0.140 4.208 4.350 -0.003 0.000 0.266 415 T C 1.855 176.298 174.700 -0.429 0.000 1.037 415 T CA 1.539 63.460 62.100 -0.298 0.000 1.146 415 T CB -0.720 67.921 68.868 -0.379 0.000 0.865 415 T HN 0.351 nan 8.240 nan 0.000 0.435 416 I N 1.245 121.497 120.570 -0.529 0.000 2.127 416 I HA -0.188 3.981 4.170 -0.003 0.000 0.241 416 I C 2.956 178.957 176.117 -0.193 0.000 1.075 416 I CA 1.284 62.325 61.300 -0.431 0.000 1.334 416 I CB -0.910 36.912 38.000 -0.296 0.000 1.040 416 I HN 0.367 nan 8.210 nan 0.000 0.405 417 C N 0.975 120.183 119.300 -0.155 0.000 2.403 417 C HA -0.158 4.300 4.460 -0.003 0.000 0.282 417 C C 3.073 178.017 174.990 -0.077 0.000 1.297 417 C CA 1.040 60.003 59.018 -0.093 0.000 1.785 417 C CB -1.434 26.257 27.740 -0.082 0.000 1.963 417 C HN 0.632 nan 8.230 nan 0.000 0.507 418 A N -0.353 122.409 122.820 -0.096 0.000 1.943 418 A HA 0.183 4.501 4.320 -0.003 0.000 0.213 418 A C 2.054 179.615 177.584 -0.039 0.000 1.181 418 A CA 0.785 52.785 52.037 -0.061 0.000 0.653 418 A CB -0.289 18.679 19.000 -0.053 0.000 0.833 418 A HN 0.548 nan 8.150 nan 0.000 0.451 419 L N -1.294 119.897 121.223 -0.053 0.000 2.127 419 L HA -0.014 4.325 4.340 -0.003 0.000 0.203 419 L C 1.747 178.651 176.870 0.056 0.000 1.080 419 L CA 0.531 55.387 54.840 0.026 0.000 0.768 419 L CB -0.345 41.775 42.059 0.102 0.000 0.924 419 L HN 0.446 nan 8.230 nan 0.000 0.444 420 C N 2.337 121.667 119.300 0.050 0.000 2.882 420 C HA 0.252 4.710 4.460 -0.003 0.000 0.492 420 C C 0.318 175.324 174.990 0.028 0.000 1.279 420 C CA -0.445 58.611 59.018 0.063 0.000 1.551 420 C CB -2.388 25.406 27.740 0.089 0.000 2.037 420 C HN 0.349 nan 8.230 nan 0.000 0.625 421 N N 0.931 119.641 118.700 0.017 0.000 2.336 421 N HA 0.257 4.996 4.740 -0.003 0.000 0.290 421 N C -0.813 174.700 175.510 0.006 0.000 1.058 421 N CA -0.169 52.882 53.050 0.001 0.000 0.865 421 N CB 1.610 40.087 38.487 -0.017 0.000 1.581 421 N HN 0.315 nan 8.380 nan 0.000 0.480 422 D N 0.948 121.350 120.400 0.004 0.000 2.463 422 D HA 0.231 4.870 4.640 -0.003 0.000 0.224 422 D C -0.360 175.935 176.300 -0.007 0.000 1.174 422 D CA 0.221 54.226 54.000 0.009 0.000 0.829 422 D CB 0.531 41.344 40.800 0.022 0.000 0.993 422 D HN 0.293 nan 8.370 nan 0.000 0.497 423 S N -0.450 115.236 115.700 -0.024 0.000 2.715 423 S HA 0.773 5.242 4.470 -0.003 0.000 0.307 423 S C -0.003 174.570 174.600 -0.045 0.000 1.119 423 S CA -0.640 57.534 58.200 -0.044 0.000 0.937 423 S CB 2.291 65.448 63.200 -0.072 0.000 1.150 423 S HN 0.219 nan 8.310 nan 0.000 0.521 424 S N -0.211 115.454 115.700 -0.059 0.000 2.643 424 S HA 0.703 5.171 4.470 -0.003 0.000 0.270 424 S C -1.507 173.056 174.600 -0.060 0.000 1.166 424 S CA -0.919 57.252 58.200 -0.047 0.000 0.815 424 S CB 0.382 63.570 63.200 -0.019 0.000 1.139 424 S HN 0.507 nan 8.310 nan 0.000 0.472 425 L N 0.736 121.938 121.223 -0.034 0.000 2.332 425 L HA 0.816 5.154 4.340 -0.003 0.000 0.269 425 L C -1.037 175.869 176.870 0.061 0.000 1.016 425 L CA -0.534 54.303 54.840 -0.006 0.000 0.809 425 L CB 1.655 43.699 42.059 -0.024 0.000 1.280 425 L HN 0.948 nan 8.230 nan 0.000 0.447 426 D N 0.046 120.530 120.400 0.139 0.000 2.937 426 D HA 0.284 4.922 4.640 -0.003 0.000 0.215 426 D C -1.682 174.817 176.300 0.332 0.000 1.274 426 D CA -0.394 53.717 54.000 0.185 0.000 0.869 426 D CB 1.484 42.342 40.800 0.098 0.000 1.675 426 D HN 0.166 nan 8.370 nan 0.000 0.538 427 F N 3.826 123.887 119.950 0.186 0.000 2.415 427 F HA 0.515 5.040 4.527 -0.003 0.000 0.348 427 F C -0.426 175.391 175.800 0.028 0.000 1.119 427 F CA -0.824 57.259 58.000 0.138 0.000 1.069 427 F CB 0.703 39.795 39.000 0.154 0.000 1.124 427 F HN 0.396 nan 8.300 nan 0.000 0.472 428 N N 2.970 121.297 118.700 -0.622 0.000 2.466 428 N HA 0.327 5.065 4.740 -0.003 0.000 0.294 428 N C -0.115 174.878 175.510 -0.862 0.000 1.129 428 N CA -0.500 52.222 53.050 -0.547 0.000 0.931 428 N CB 1.299 39.624 38.487 -0.271 0.000 1.193 428 N HN 0.443 nan 8.380 nan 0.000 0.500 429 E N -0.437 119.468 120.200 -0.492 0.000 2.166 429 E HA -0.061 4.287 4.350 -0.003 0.000 0.192 429 E C 1.610 178.066 176.600 -0.240 0.000 0.967 429 E CA 1.481 57.657 56.400 -0.373 0.000 0.840 429 E CB -0.759 28.825 29.700 -0.194 0.000 0.795 429 E HN 0.884 nan 8.360 nan 0.000 0.470 430 T N 0.821 115.265 114.554 -0.184 0.000 2.620 430 T HA -0.270 4.078 4.350 -0.003 0.000 0.267 430 T C 1.419 176.053 174.700 -0.111 0.000 1.044 430 T CA 1.894 63.923 62.100 -0.118 0.000 1.161 430 T CB -0.326 68.487 68.868 -0.091 0.000 0.862 430 T HN 0.309 nan 8.240 nan 0.000 0.438 431 K N 0.854 121.171 120.400 -0.138 0.000 2.564 431 K HA 0.519 4.838 4.320 -0.003 0.000 0.205 431 K C 1.261 177.791 176.600 -0.117 0.000 1.053 431 K CA -0.056 56.172 56.287 -0.098 0.000 1.072 431 K CB 0.109 32.572 32.500 -0.061 0.000 0.822 431 K HN 0.412 nan 8.250 nan 0.000 0.497 432 G N 1.450 110.118 108.800 -0.221 0.000 2.449 432 G HA2 -0.258 3.701 3.960 -0.003 0.000 0.304 432 G HA3 -0.258 3.701 3.960 -0.003 0.000 0.304 432 G C -0.021 174.882 174.900 0.005 0.000 0.962 432 G CA 0.629 45.609 45.100 -0.200 0.000 0.943 432 G HN 0.252 nan 8.290 nan 0.000 0.514 433 V N -0.416 119.438 119.914 -0.099 0.000 2.715 433 V HA 0.527 4.646 4.120 -0.003 0.000 0.310 433 V C -0.126 176.044 176.094 0.126 0.000 1.054 433 V CA -1.453 60.873 62.300 0.043 0.000 0.928 433 V CB 1.715 33.568 31.823 0.049 0.000 1.007 433 V HN 0.187 nan 8.190 nan 0.000 0.437 434 Y N 2.242 122.736 120.300 0.323 0.000 2.393 434 Y HA 0.365 4.913 4.550 -0.003 0.000 0.338 434 Y C 0.737 176.768 175.900 0.218 0.000 1.029 434 Y CA -0.180 58.102 58.100 0.303 0.000 1.239 434 Y CB 0.369 38.968 38.460 0.232 0.000 1.170 434 Y HN 0.581 nan 8.280 nan 0.000 0.515 435 E N 2.714 123.105 120.200 0.319 0.000 2.195 435 E HA 0.227 4.575 4.350 -0.003 0.000 0.271 435 E C -0.720 175.936 176.600 0.093 0.000 0.923 435 E CA -1.281 55.241 56.400 0.203 0.000 0.790 435 E CB 1.858 31.627 29.700 0.114 0.000 1.155 435 E HN 0.415 nan 8.360 nan 0.000 0.402 436 K N 2.193 122.585 120.400 -0.013 0.000 2.412 436 K HA 0.065 4.383 4.320 -0.003 0.000 0.281 436 K C 0.075 176.597 176.600 -0.130 0.000 1.027 436 K CA -0.145 55.970 56.287 -0.286 0.000 0.989 436 K CB 0.719 32.913 32.500 -0.510 0.000 0.935 436 K HN 0.303 nan 8.250 nan 0.000 0.475 437 V N 4.156 123.993 119.914 -0.128 0.000 2.543 437 V HA 0.038 4.156 4.120 -0.003 0.000 0.232 437 V C 1.803 177.856 176.094 -0.068 0.000 1.087 437 V CA 1.371 63.633 62.300 -0.064 0.000 1.113 437 V CB -0.796 31.004 31.823 -0.038 0.000 0.779 437 V HN 1.053 nan 8.190 nan 0.000 0.495 438 G N -0.425 108.327 108.800 -0.080 0.000 2.751 438 G HA2 -0.012 3.946 3.960 -0.003 0.000 0.142 438 G HA3 -0.012 3.946 3.960 -0.003 0.000 0.142 438 G C 0.129 174.986 174.900 -0.072 0.000 1.783 438 G CA 0.035 45.098 45.100 -0.062 0.000 1.018 438 G HN 0.459 nan 8.290 nan 0.000 0.474 439 E N -0.458 119.700 120.200 -0.069 0.000 2.277 439 E HA 0.494 4.842 4.350 -0.003 0.000 0.274 439 E C 1.394 177.945 176.600 -0.082 0.000 1.022 439 E CA -0.129 56.236 56.400 -0.059 0.000 0.853 439 E CB 1.598 31.270 29.700 -0.047 0.000 1.086 439 E HN 0.329 nan 8.360 nan 0.000 0.397 440 A N 2.663 125.458 122.820 -0.040 0.000 1.903 440 A HA -0.261 4.058 4.320 -0.003 0.000 0.219 440 A C 2.157 179.769 177.584 0.046 0.000 1.191 440 A CA 2.628 54.675 52.037 0.018 0.000 0.638 440 A CB -1.289 17.780 19.000 0.114 0.000 0.823 440 A HN 0.795 nan 8.150 nan 0.000 0.451 441 T N -2.433 112.132 114.554 0.018 0.000 3.035 441 T HA -0.019 4.329 4.350 -0.003 0.000 0.268 441 T C 1.502 176.198 174.700 -0.007 0.000 1.109 441 T CA 1.517 63.628 62.100 0.018 0.000 1.119 441 T CB -0.201 68.660 68.868 -0.013 0.000 0.900 441 T HN 0.635 nan 8.240 nan 0.000 0.503 442 E N 0.387 120.562 120.200 -0.041 0.000 2.079 442 E HA -0.011 4.337 4.350 -0.003 0.000 0.191 442 E C 2.329 178.887 176.600 -0.071 0.000 0.961 442 E CA 1.049 57.418 56.400 -0.051 0.000 0.823 442 E CB -0.431 29.234 29.700 -0.058 0.000 0.789 442 E HN 0.456 nan 8.360 nan 0.000 0.459 443 T N 0.617 115.087 114.554 -0.139 0.000 2.869 443 T HA -0.185 4.164 4.350 -0.003 0.000 0.270 443 T C 1.737 176.340 174.700 -0.162 0.000 1.082 443 T CA 1.359 63.315 62.100 -0.240 0.000 1.123 443 T CB -0.122 68.447 68.868 -0.498 0.000 0.856 443 T HN 0.217 nan 8.240 nan 0.000 0.499 444 A N 1.076 123.891 122.820 -0.009 0.000 1.854 444 A HA 0.200 4.519 4.320 -0.003 0.000 0.214 444 A C 2.340 179.960 177.584 0.060 0.000 1.192 444 A CA 1.118 53.256 52.037 0.167 0.000 0.611 444 A CB -0.887 18.237 19.000 0.206 0.000 0.832 444 A HN 0.546 nan 8.150 nan 0.000 0.442 445 L N 0.468 121.701 121.223 0.017 0.000 2.197 445 L HA -0.253 4.085 4.340 -0.003 0.000 0.215 445 L C 2.956 179.812 176.870 -0.023 0.000 1.095 445 L CA 1.972 56.807 54.840 -0.007 0.000 0.764 445 L CB -0.964 41.083 42.059 -0.020 0.000 0.897 445 L HN 0.747 nan 8.230 nan 0.000 0.436 446 T N -5.231 109.306 114.554 -0.028 0.000 2.851 446 T HA -0.139 4.210 4.350 -0.003 0.000 0.262 446 T C 1.800 176.479 174.700 -0.036 0.000 1.043 446 T CA 1.458 63.535 62.100 -0.039 0.000 1.140 446 T CB -0.469 68.369 68.868 -0.050 0.000 0.872 446 T HN 0.167 nan 8.240 nan 0.000 0.446 447 T N 2.379 116.926 114.554 -0.011 0.000 2.759 447 T HA -0.004 4.345 4.350 -0.003 0.000 0.269 447 T C 1.753 176.435 174.700 -0.029 0.000 1.042 447 T CA 1.339 63.433 62.100 -0.010 0.000 1.140 447 T CB -0.592 68.320 68.868 0.073 0.000 0.864 447 T HN 0.266 nan 8.240 nan 0.000 0.455 448 L N 1.234 122.445 121.223 -0.020 0.000 2.079 448 L HA -0.042 4.296 4.340 -0.003 0.000 0.210 448 L C 2.367 179.202 176.870 -0.059 0.000 1.081 448 L CA 1.440 56.257 54.840 -0.038 0.000 0.752 448 L CB -0.703 41.339 42.059 -0.029 0.000 0.896 448 L HN 0.068 nan 8.230 nan 0.000 0.433 449 V N -0.264 119.616 119.914 -0.056 0.000 2.261 449 V HA -0.233 3.886 4.120 -0.003 0.000 0.246 449 V C 2.672 178.729 176.094 -0.062 0.000 1.047 449 V CA 1.842 64.104 62.300 -0.062 0.000 1.015 449 V CB -0.626 31.166 31.823 -0.051 0.000 0.642 449 V HN 0.449 nan 8.190 nan 0.000 0.446 450 E N 0.345 120.506 120.200 -0.064 0.000 2.085 450 E HA -0.212 4.136 4.350 -0.003 0.000 0.194 450 E C 2.188 178.744 176.600 -0.074 0.000 0.994 450 E CA 1.185 57.543 56.400 -0.070 0.000 0.801 450 E CB -0.324 29.317 29.700 -0.100 0.000 0.743 450 E HN 0.566 nan 8.360 nan 0.000 0.453 451 K N 0.295 120.648 120.400 -0.078 0.000 2.442 451 K HA -0.013 4.305 4.320 -0.003 0.000 0.198 451 K C 1.575 178.121 176.600 -0.090 0.000 1.042 451 K CA 0.792 57.031 56.287 -0.080 0.000 0.958 451 K CB -0.072 32.383 32.500 -0.076 0.000 0.766 451 K HN 0.230 nan 8.250 nan 0.000 0.474 452 M N 0.374 119.916 119.600 -0.097 0.000 3.004 452 M HA 0.212 4.690 4.480 -0.003 0.000 0.365 452 M C -0.813 175.419 176.300 -0.113 0.000 1.317 452 M CA -0.812 54.414 55.300 -0.122 0.000 0.821 452 M CB 0.135 32.643 32.600 -0.153 0.000 1.387 452 M HN -0.197 nan 8.290 nan 0.000 0.501 453 N N 0.859 119.512 118.700 -0.078 0.000 2.349 453 N HA -0.019 4.720 4.740 -0.003 0.000 0.296 453 N C 0.741 176.196 175.510 -0.092 0.000 1.304 453 N CA 0.115 53.135 53.050 -0.051 0.000 1.051 453 N CB -0.076 38.410 38.487 -0.001 0.000 1.466 453 N HN 0.353 nan 8.380 nan 0.000 0.487 454 V N 1.090 120.876 119.914 -0.213 0.000 2.313 454 V HA -0.331 3.787 4.120 -0.003 0.000 0.253 454 V C 1.445 177.291 176.094 -0.413 0.000 1.070 454 V CA 1.826 63.897 62.300 -0.382 0.000 1.057 454 V CB -0.889 30.557 31.823 -0.628 0.000 0.653 454 V HN 0.526 nan 8.190 nan 0.000 0.450 455 F N 0.025 119.960 119.950 -0.025 0.000 2.661 455 F HA 0.158 4.684 4.527 -0.003 0.000 0.298 455 F C 1.500 177.289 175.800 -0.019 0.000 1.137 455 F CA 0.414 58.402 58.000 -0.020 0.000 1.454 455 F CB -0.453 38.534 39.000 -0.021 0.000 1.103 455 F HN 0.227 nan 8.300 nan 0.000 0.577 456 N N -0.577 118.183 118.700 0.101 0.000 2.882 456 N HA -0.158 4.580 4.740 -0.003 0.000 0.249 456 N C 0.174 175.724 175.510 0.066 0.000 1.079 456 N CA 1.044 54.127 53.050 0.056 0.000 0.800 456 N CB -2.168 36.343 38.487 0.040 0.000 1.124 456 N HN 0.413 nan 8.380 nan 0.000 0.557 457 T N -0.926 113.686 114.554 0.097 0.000 2.940 457 T HA 0.105 4.453 4.350 -0.003 0.000 0.309 457 T C 0.428 175.146 174.700 0.030 0.000 1.056 457 T CA -0.169 61.967 62.100 0.061 0.000 1.137 457 T CB 1.188 70.093 68.868 0.061 0.000 0.976 457 T HN -0.020 nan 8.240 nan 0.000 0.547 458 E N 2.283 122.494 120.200 0.017 0.000 2.328 458 E HA 0.159 4.508 4.350 -0.003 0.000 0.265 458 E C 1.128 177.731 176.600 0.004 0.000 1.057 458 E CA -0.012 56.392 56.400 0.008 0.000 0.916 458 E CB 0.956 30.659 29.700 0.005 0.000 0.993 458 E HN 0.697 nan 8.360 nan 0.000 0.446 459 V N 1.680 121.594 119.914 -0.001 0.000 3.371 459 V HA 0.014 4.132 4.120 -0.003 0.000 0.246 459 V C 1.845 177.934 176.094 -0.009 0.000 1.303 459 V CA 0.229 62.526 62.300 -0.006 0.000 1.156 459 V CB -0.193 31.622 31.823 -0.013 0.000 0.929 459 V HN 0.530 nan 8.190 nan 0.000 0.459 460 R N 1.729 122.224 120.500 -0.009 0.000 2.200 460 R HA -0.038 4.300 4.340 -0.003 0.000 0.234 460 R C 1.148 177.444 176.300 -0.006 0.000 1.127 460 R CA 1.828 57.922 56.100 -0.009 0.000 0.989 460 R CB -0.973 29.322 30.300 -0.008 0.000 0.869 460 R HN 0.530 nan 8.270 nan 0.000 0.459 461 N N 0.957 119.655 118.700 -0.003 0.000 2.362 461 N HA 0.145 4.883 4.740 -0.003 0.000 0.204 461 N C -0.263 175.248 175.510 0.001 0.000 1.166 461 N CA 0.396 53.446 53.050 -0.000 0.000 0.831 461 N CB 0.355 38.843 38.487 0.001 0.000 1.008 461 N HN 0.248 nan 8.380 nan 0.000 0.472 462 L N 0.019 121.242 121.223 -0.000 0.000 2.341 462 L HA 0.389 4.727 4.340 -0.003 0.000 0.267 462 L C 0.775 177.647 176.870 0.003 0.000 1.009 462 L CA -0.949 53.893 54.840 0.004 0.000 0.819 462 L CB 1.713 43.774 42.059 0.003 0.000 1.323 462 L HN -0.071 nan 8.230 nan 0.000 0.425 463 S N 0.218 115.926 115.700 0.013 0.000 2.617 463 S HA 0.194 4.662 4.470 -0.003 0.000 0.259 463 S C 0.729 175.329 174.600 0.000 0.000 1.301 463 S CA -0.500 57.709 58.200 0.016 0.000 0.984 463 S CB 1.045 64.273 63.200 0.046 0.000 0.954 463 S HN 0.652 nan 8.310 nan 0.000 0.572 464 K N -0.025 120.344 120.400 -0.051 0.000 2.057 464 K HA -0.007 4.312 4.320 -0.003 0.000 0.206 464 K C 1.697 178.323 176.600 0.044 0.000 1.050 464 K CA 1.173 57.356 56.287 -0.174 0.000 0.935 464 K CB -0.654 31.320 32.500 -0.876 0.000 0.715 464 K HN 0.481 nan 8.250 nan 0.000 0.439 465 V N 2.332 122.374 119.914 0.215 0.000 3.330 465 V HA -0.183 3.936 4.120 -0.003 0.000 0.273 465 V C 1.703 177.898 176.094 0.168 0.000 1.179 465 V CA 1.809 64.289 62.300 0.299 0.000 1.174 465 V CB -1.275 30.704 31.823 0.259 0.000 0.794 465 V HN 0.490 nan 8.190 nan 0.000 0.527 466 E N -0.299 119.965 120.200 0.107 0.000 2.555 466 E HA 0.025 4.373 4.350 -0.003 0.000 0.209 466 E C 1.986 178.605 176.600 0.031 0.000 0.847 466 E CA -0.318 56.119 56.400 0.062 0.000 1.438 466 E CB -0.282 29.444 29.700 0.045 0.000 1.420 466 E HN 0.288 nan 8.360 nan 0.000 0.755 467 R N 2.044 122.556 120.500 0.020 0.000 2.159 467 R HA 0.027 4.365 4.340 -0.003 0.000 0.237 467 R C 1.988 178.244 176.300 -0.075 0.000 1.131 467 R CA 1.738 57.822 56.100 -0.026 0.000 0.982 467 R CB -0.657 29.623 30.300 -0.034 0.000 0.868 467 R HN 0.303 nan 8.270 nan 0.000 0.453 468 A N 0.501 123.290 122.820 -0.053 0.000 1.858 468 A HA -0.099 4.219 4.320 -0.003 0.000 0.216 468 A C 1.039 178.583 177.584 -0.067 0.000 1.190 468 A CA 1.665 53.636 52.037 -0.110 0.000 0.617 468 A CB -0.257 18.754 19.000 0.019 0.000 0.827 468 A HN 0.475 nan 8.150 nan 0.000 0.443 469 N N -0.577 118.113 118.700 -0.017 0.000 2.458 469 N HA 0.418 5.156 4.740 -0.003 0.000 0.274 469 N C 0.833 176.339 175.510 -0.007 0.000 1.242 469 N CA 0.669 53.711 53.050 -0.013 0.000 0.904 469 N CB 0.770 39.260 38.487 0.004 0.000 1.206 469 N HN 0.438 nan 8.380 nan 0.000 0.510 470 A N 0.057 122.869 122.820 -0.014 0.000 1.835 470 A HA -0.058 4.261 4.320 -0.003 0.000 0.213 470 A C 2.162 179.748 177.584 0.005 0.000 1.210 470 A CA 0.991 53.025 52.037 -0.005 0.000 0.605 470 A CB -0.603 18.392 19.000 -0.009 0.000 0.860 470 A HN 0.455 nan 8.150 nan 0.000 0.447 471 C N -0.322 118.982 119.300 0.006 0.000 2.446 471 C HA 0.007 4.466 4.460 -0.003 0.000 0.279 471 C C 2.513 177.525 174.990 0.037 0.000 1.366 471 C CA 0.836 59.876 59.018 0.037 0.000 1.763 471 C CB -1.988 25.766 27.740 0.023 0.000 1.929 471 C HN 0.690 nan 8.230 nan 0.000 0.509 472 N N 1.361 120.065 118.700 0.007 0.000 2.171 472 N HA -0.126 4.612 4.740 -0.003 0.000 0.184 472 N C 1.989 177.504 175.510 0.008 0.000 1.021 472 N CA 1.532 54.583 53.050 0.001 0.000 0.854 472 N CB -0.018 38.460 38.487 -0.015 0.000 0.994 472 N HN 0.614 nan 8.380 nan 0.000 0.426 473 S N 0.602 116.305 115.700 0.005 0.000 2.383 473 S HA -0.130 4.339 4.470 -0.003 0.000 0.227 473 S C 2.320 176.918 174.600 -0.003 0.000 1.026 473 S CA 1.281 59.482 58.200 0.003 0.000 0.981 473 S CB -1.029 62.172 63.200 0.001 0.000 0.818 473 S HN 0.266 nan 8.310 nan 0.000 0.472 474 V N 1.071 120.984 119.914 -0.002 0.000 2.287 474 V HA -0.112 4.006 4.120 -0.003 0.000 0.248 474 V C 2.326 178.397 176.094 -0.039 0.000 1.053 474 V CA 1.798 64.075 62.300 -0.038 0.000 1.027 474 V CB -1.176 30.624 31.823 -0.038 0.000 0.646 474 V HN 0.541 nan 8.190 nan 0.000 0.447 475 I N 0.309 120.901 120.570 0.037 0.000 2.361 475 I HA -0.178 3.991 4.170 -0.003 0.000 0.251 475 I C 2.972 179.102 176.117 0.023 0.000 1.133 475 I CA 1.793 63.130 61.300 0.063 0.000 1.413 475 I CB -0.453 37.596 38.000 0.083 0.000 1.073 475 I HN 0.284 nan 8.210 nan 0.000 0.424 476 R N 0.643 121.151 120.500 0.014 0.000 2.328 476 R HA -0.107 4.232 4.340 -0.003 0.000 0.207 476 R C 1.459 177.764 176.300 0.009 0.000 1.056 476 R CA 0.654 56.764 56.100 0.017 0.000 1.016 476 R CB -0.171 30.137 30.300 0.014 0.000 0.872 476 R HN 0.555 nan 8.270 nan 0.000 0.471 477 Q N 0.035 119.828 119.800 -0.012 0.000 2.282 477 Q HA 0.157 4.496 4.340 -0.003 0.000 0.206 477 Q C 1.164 177.143 176.000 -0.034 0.000 0.878 477 Q CA 0.159 55.947 55.803 -0.025 0.000 0.944 477 Q CB 0.680 29.391 28.738 -0.044 0.000 1.100 477 Q HN 0.340 nan 8.270 nan 0.000 0.509 478 L N -0.874 120.335 121.223 -0.024 0.000 2.701 478 L HA 0.323 4.661 4.340 -0.003 0.000 0.238 478 L C 0.186 177.073 176.870 0.028 0.000 1.106 478 L CA 0.134 54.962 54.840 -0.019 0.000 0.898 478 L CB 0.416 42.454 42.059 -0.035 0.000 1.188 478 L HN 0.160 nan 8.230 nan 0.000 0.508 479 M N 0.399 120.028 119.600 0.048 0.000 2.484 479 M HA 0.393 4.871 4.480 -0.003 0.000 0.289 479 M C -1.196 175.140 176.300 0.060 0.000 1.206 479 M CA -0.633 54.713 55.300 0.077 0.000 0.892 479 M CB 2.493 35.189 32.600 0.160 0.000 1.712 479 M HN -0.257 nan 8.290 nan 0.000 0.462 480 K N 1.818 122.249 120.400 0.052 0.000 2.235 480 K HA 0.310 4.628 4.320 -0.003 0.000 0.266 480 K C -0.576 176.054 176.600 0.051 0.000 0.980 480 K CA -0.204 56.112 56.287 0.048 0.000 0.849 480 K CB 1.041 33.569 32.500 0.046 0.000 1.098 480 K HN 0.544 nan 8.250 nan 0.000 0.445 481 K N 5.051 125.481 120.400 0.051 0.000 2.150 481 K HA 0.036 4.355 4.320 -0.003 0.000 0.261 481 K C 0.087 176.719 176.600 0.053 0.000 1.127 481 K CA -0.127 56.184 56.287 0.039 0.000 0.989 481 K CB 0.392 32.918 32.500 0.044 0.000 1.475 481 K HN 0.627 nan 8.250 nan 0.000 0.391 482 E N 2.422 122.660 120.200 0.064 0.000 2.033 482 E HA -0.169 4.179 4.350 -0.003 0.000 0.199 482 E C 0.460 177.212 176.600 0.254 0.000 1.011 482 E CA 1.533 58.023 56.400 0.150 0.000 0.815 482 E CB -0.267 29.551 29.700 0.197 0.000 0.755 482 E HN 0.582 nan 8.360 nan 0.000 0.451 483 F N -2.954 117.018 119.950 0.036 0.000 2.858 483 F HA 0.499 5.025 4.527 -0.003 0.000 0.319 483 F C -0.816 174.999 175.800 0.025 0.000 1.166 483 F CA -1.159 56.846 58.000 0.008 0.000 0.899 483 F CB 1.666 40.639 39.000 -0.045 0.000 1.332 483 F HN -0.258 nan 8.300 nan 0.000 0.461 484 T N 1.722 116.374 114.554 0.162 0.000 2.886 484 T HA 0.612 4.960 4.350 -0.003 0.000 0.292 484 T C -1.343 173.390 174.700 0.055 0.000 1.012 484 T CA -0.742 61.376 62.100 0.030 0.000 0.982 484 T CB 1.152 70.044 68.868 0.039 0.000 1.018 484 T HN 0.824 nan 8.240 nan 0.000 0.451 485 L N 5.708 126.874 121.223 -0.095 0.000 2.312 485 L HA 0.366 4.704 4.340 -0.003 0.000 0.287 485 L C 1.274 178.081 176.870 -0.105 0.000 1.091 485 L CA -0.969 53.626 54.840 -0.408 0.000 0.846 485 L CB 0.207 41.900 42.059 -0.611 0.000 1.219 485 L HN 0.739 nan 8.230 nan 0.000 0.439 486 E N 3.254 123.500 120.200 0.075 0.000 2.442 486 E HA -0.094 4.254 4.350 -0.003 0.000 0.260 486 E C -0.617 176.162 176.600 0.298 0.000 1.148 486 E CA -0.341 56.190 56.400 0.219 0.000 0.976 486 E CB 0.825 30.674 29.700 0.249 0.000 0.967 486 E HN 0.323 nan 8.360 nan 0.000 0.454 487 F N 1.533 121.572 119.950 0.148 0.000 2.471 487 F HA 0.215 4.741 4.527 -0.003 0.000 0.353 487 F C -0.056 175.841 175.800 0.161 0.000 1.113 487 F CA 0.362 58.447 58.000 0.142 0.000 1.262 487 F CB 0.668 39.728 39.000 0.100 0.000 1.146 487 F HN 0.521 nan 8.300 nan 0.000 0.578 488 S N 5.038 120.276 115.700 -0.770 0.000 2.546 488 S HA 0.416 4.884 4.470 -0.003 0.000 0.272 488 S C 0.089 174.219 174.600 -0.784 0.000 1.140 488 S CA -1.116 56.765 58.200 -0.533 0.000 0.920 488 S CB 1.853 64.967 63.200 -0.142 0.000 1.083 488 S HN 0.802 nan 8.310 nan 0.000 0.476 489 R N 0.905 121.128 120.500 -0.462 0.000 2.355 489 R HA -0.091 4.247 4.340 -0.003 0.000 0.219 489 R C 0.853 177.063 176.300 -0.151 0.000 1.107 489 R CA 1.920 57.870 56.100 -0.249 0.000 1.021 489 R CB -0.562 29.718 30.300 -0.033 0.000 0.852 489 R HN 0.861 nan 8.270 nan 0.000 0.475 490 D N 0.362 120.671 120.400 -0.153 0.000 2.106 490 D HA -0.189 4.449 4.640 -0.003 0.000 0.203 490 D C 1.653 177.909 176.300 -0.074 0.000 0.977 490 D CA 0.849 54.799 54.000 -0.084 0.000 0.844 490 D CB -0.298 40.458 40.800 -0.072 0.000 1.002 490 D HN 0.256 nan 8.370 nan 0.000 0.461 491 R N 0.016 120.456 120.500 -0.099 0.000 2.297 491 R HA 0.138 4.476 4.340 -0.003 0.000 0.197 491 R C -0.030 176.250 176.300 -0.032 0.000 0.943 491 R CA -0.204 55.870 56.100 -0.043 0.000 1.038 491 R CB -0.159 30.139 30.300 -0.003 0.000 0.957 491 R HN -0.212 nan 8.270 nan 0.000 0.484 492 K N 1.526 121.839 120.400 -0.145 0.000 3.278 492 K HA -0.188 4.130 4.320 -0.003 0.000 0.270 492 K C -0.745 176.044 176.600 0.313 0.000 0.955 492 K CA 1.382 57.688 56.287 0.031 0.000 0.723 492 K CB -1.806 30.786 32.500 0.154 0.000 1.382 492 K HN 0.762 nan 8.250 nan 0.000 0.461 493 S N -1.712 114.134 115.700 0.243 0.000 2.655 493 S HA 0.785 5.254 4.470 -0.003 0.000 0.266 493 S C -0.716 174.136 174.600 0.420 0.000 1.149 493 S CA -0.725 57.717 58.200 0.403 0.000 0.818 493 S CB 2.612 65.940 63.200 0.213 0.000 1.130 493 S HN 0.522 nan 8.310 nan 0.000 0.476 494 M N 0.725 120.506 119.600 0.301 0.000 2.471 494 M HA 0.756 5.234 4.480 -0.003 0.000 0.284 494 M C -1.598 174.783 176.300 0.135 0.000 1.203 494 M CA -0.345 55.092 55.300 0.229 0.000 0.915 494 M CB 1.941 34.699 32.600 0.263 0.000 1.734 494 M HN 1.198 nan 8.290 nan 0.000 0.485 495 S N 1.490 117.236 115.700 0.078 0.000 2.697 495 S HA 0.959 5.427 4.470 -0.003 0.000 0.289 495 S C -0.803 173.785 174.600 -0.020 0.000 1.149 495 S CA -0.310 57.910 58.200 0.035 0.000 0.850 495 S CB 1.869 65.076 63.200 0.013 0.000 1.151 495 S HN 1.635 nan 8.310 nan 0.000 0.491 496 V N -1.281 118.594 119.914 -0.065 0.000 2.733 496 V HA 0.614 4.732 4.120 -0.003 0.000 0.306 496 V C -1.337 174.579 176.094 -0.295 0.000 1.084 496 V CA -0.910 61.310 62.300 -0.133 0.000 0.905 496 V CB 0.824 32.641 31.823 -0.010 0.000 1.010 496 V HN 0.998 nan 8.190 nan 0.000 0.424 497 Y N 3.415 123.310 120.300 -0.675 0.000 2.316 497 Y HA 0.696 5.244 4.550 -0.003 0.000 0.331 497 Y C 0.107 175.707 175.900 -0.501 0.000 1.083 497 Y CA 0.174 57.815 58.100 -0.766 0.000 1.206 497 Y CB 1.123 38.685 38.460 -1.497 0.000 1.195 497 Y HN 1.012 nan 8.280 nan 0.000 0.497 498 C N 3.451 122.479 119.300 -0.453 0.000 2.994 498 C HA 0.706 5.164 4.460 -0.003 0.000 0.305 498 C C -0.759 174.130 174.990 -0.168 0.000 1.251 498 C CA -1.016 57.882 59.018 -0.200 0.000 1.478 498 C CB 1.212 28.845 27.740 -0.177 0.000 1.922 498 C HN 0.877 nan 8.230 nan 0.000 0.472 499 S N 1.829 117.521 115.700 -0.012 0.000 2.542 499 S HA 0.821 5.290 4.470 -0.003 0.000 0.293 499 S C -2.949 171.661 174.600 0.016 0.000 1.089 499 S CA -1.002 57.204 58.200 0.011 0.000 0.961 499 S CB 1.997 65.242 63.200 0.075 0.000 1.062 499 S HN 0.625 nan 8.310 nan 0.000 0.483 500 P HA 0.386 nan 4.420 nan 0.000 0.293 500 P C -0.920 176.392 177.300 0.020 0.000 1.298 500 P CA -0.557 62.556 63.100 0.022 0.000 0.757 500 P CB 0.454 32.165 31.700 0.017 0.000 1.262 501 A N 0.217 123.045 122.820 0.013 0.000 2.253 501 A HA 0.328 4.646 4.320 -0.003 0.000 0.316 501 A C 0.236 177.822 177.584 0.004 0.000 1.327 501 A CA -0.600 51.442 52.037 0.007 0.000 0.917 501 A CB -0.280 18.719 19.000 -0.002 0.000 1.162 501 A HN 0.367 nan 8.150 nan 0.000 0.535 502 K N 2.502 122.906 120.400 0.006 0.000 2.510 502 K HA -0.046 4.273 4.320 -0.003 0.000 0.272 502 K C 1.136 177.737 176.600 0.001 0.000 1.025 502 K CA 1.885 58.175 56.287 0.005 0.000 1.134 502 K CB -0.262 32.241 32.500 0.006 0.000 0.827 502 K HN 1.956 nan 8.250 nan 0.000 0.485 503 S N 0.609 116.310 115.700 0.001 0.000 3.011 503 S HA -0.272 4.196 4.470 -0.003 0.000 0.278 503 S C 1.176 175.774 174.600 -0.004 0.000 1.300 503 S CA 1.585 59.785 58.200 -0.001 0.000 1.248 503 S CB -2.087 61.112 63.200 -0.002 0.000 1.517 503 S HN 0.688 nan 8.310 nan 0.000 0.685 504 S N 0.531 116.228 115.700 -0.005 0.000 2.527 504 S HA 0.384 4.852 4.470 -0.003 0.000 0.227 504 S C 0.941 175.539 174.600 -0.004 0.000 1.059 504 S CA 0.213 58.407 58.200 -0.011 0.000 0.919 504 S CB 0.053 63.240 63.200 -0.021 0.000 0.805 504 S HN 0.546 nan 8.310 nan 0.000 0.500 505 R N 0.301 120.804 120.500 0.004 0.000 2.490 505 R HA 0.339 4.677 4.340 -0.003 0.000 0.410 505 R C -0.024 176.286 176.300 0.016 0.000 0.876 505 R CA 0.410 56.520 56.100 0.016 0.000 1.061 505 R CB -0.308 30.008 30.300 0.027 0.000 1.553 505 R HN 0.217 nan 8.270 nan 0.000 0.593 506 A N 0.451 123.277 122.820 0.009 0.000 2.359 506 A HA 0.379 4.697 4.320 -0.003 0.000 0.240 506 A C 1.854 179.441 177.584 0.004 0.000 1.306 506 A CA 0.806 52.847 52.037 0.007 0.000 0.898 506 A CB -0.158 18.845 19.000 0.006 0.000 0.956 506 A HN 0.289 nan 8.150 nan 0.000 0.497 507 A N -0.522 122.303 122.820 0.007 0.000 1.869 507 A HA -0.121 4.198 4.320 -0.003 0.000 0.218 507 A C 1.850 179.433 177.584 -0.002 0.000 1.203 507 A CA 2.422 54.461 52.037 0.004 0.000 0.638 507 A CB -0.495 18.510 19.000 0.009 0.000 0.831 507 A HN 0.639 nan 8.150 nan 0.000 0.450 508 V N -2.346 117.565 119.914 -0.006 0.000 3.635 508 V HA 0.421 4.539 4.120 -0.003 0.000 0.266 508 V C 1.581 177.659 176.094 -0.026 0.000 1.316 508 V CA 0.735 63.025 62.300 -0.017 0.000 1.060 508 V CB -0.733 31.075 31.823 -0.024 0.000 0.820 508 V HN 1.281 nan 8.190 nan 0.000 0.447 509 G N 1.398 110.185 108.800 -0.021 0.000 2.531 509 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.274 509 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.274 509 G C -0.102 174.754 174.900 -0.074 0.000 1.159 509 G CA 0.110 45.194 45.100 -0.027 0.000 0.969 509 G HN 0.460 nan 8.290 nan 0.000 0.554 510 N N 2.228 120.876 118.700 -0.086 0.000 2.301 510 N HA 0.301 5.039 4.740 -0.003 0.000 0.267 510 N C 0.321 175.606 175.510 -0.374 0.000 1.304 510 N CA 0.790 53.712 53.050 -0.213 0.000 0.851 510 N CB 0.408 38.831 38.487 -0.107 0.000 1.070 510 N HN 0.517 nan 8.380 nan 0.000 0.483 511 K N 1.672 121.731 120.400 -0.568 0.000 2.400 511 K HA 0.503 4.822 4.320 -0.003 0.000 0.246 511 K C -0.375 175.625 176.600 -1.000 0.000 0.995 511 K CA -0.605 55.271 56.287 -0.684 0.000 0.840 511 K CB 2.091 34.196 32.500 -0.659 0.000 1.293 511 K HN 0.440 nan 8.250 nan 0.000 0.445 512 M N 1.868 120.949 119.600 -0.866 0.000 2.151 512 M HA 0.379 4.857 4.480 -0.003 0.000 0.290 512 M C -1.583 174.401 176.300 -0.527 0.000 0.965 512 M CA -0.700 54.177 55.300 -0.706 0.000 0.930 512 M CB 0.895 33.255 32.600 -0.400 0.000 1.560 512 M HN 0.323 nan 8.290 nan 0.000 0.438 513 F N 4.268 124.142 119.950 -0.126 0.000 2.361 513 F HA 0.534 5.059 4.527 -0.003 0.000 0.364 513 F C -0.059 175.714 175.800 -0.046 0.000 1.120 513 F CA -1.037 56.916 58.000 -0.079 0.000 1.102 513 F CB 1.057 40.011 39.000 -0.077 0.000 1.183 513 F HN 0.227 nan 8.300 nan 0.000 0.476 514 V N 5.527 125.537 119.914 0.160 0.000 2.495 514 V HA 0.736 4.855 4.120 -0.003 0.000 0.298 514 V C -0.849 175.303 176.094 0.096 0.000 1.031 514 V CA -0.574 61.794 62.300 0.113 0.000 0.871 514 V CB 1.620 33.502 31.823 0.099 0.000 0.988 514 V HN 0.820 nan 8.190 nan 0.000 0.432 515 K N 4.998 125.456 120.400 0.096 0.000 2.395 515 K HA 1.022 5.340 4.320 -0.003 0.000 0.247 515 K C -0.334 176.338 176.600 0.120 0.000 0.973 515 K CA -0.267 56.067 56.287 0.078 0.000 0.828 515 K CB 2.437 34.963 32.500 0.044 0.000 1.272 515 K HN 1.409 nan 8.250 nan 0.000 0.439 516 G N -0.075 108.793 108.800 0.114 0.000 2.324 516 G HA2 0.401 4.360 3.960 -0.003 0.000 0.293 516 G HA3 0.401 4.360 3.960 -0.003 0.000 0.293 516 G C -1.432 173.551 174.900 0.138 0.000 1.297 516 G CA -0.642 44.557 45.100 0.165 0.000 0.853 516 G HN 0.771 nan 8.290 nan 0.000 0.535 517 A N 0.495 123.416 122.820 0.167 0.000 2.587 517 A HA 0.492 4.810 4.320 -0.003 0.000 0.235 517 A C -0.648 176.999 177.584 0.105 0.000 1.044 517 A CA 0.809 52.923 52.037 0.129 0.000 0.754 517 A CB -0.111 18.975 19.000 0.144 0.000 0.968 517 A HN 0.398 nan 8.150 nan 0.000 0.509 518 P HA -0.204 nan 4.420 nan 0.000 0.213 518 P C 1.040 178.369 177.300 0.048 0.000 1.170 518 P CA 1.861 65.000 63.100 0.066 0.000 0.902 518 P CB 0.069 31.794 31.700 0.042 0.000 0.789 519 E N -0.388 119.835 120.200 0.038 0.000 2.055 519 E HA -0.230 4.119 4.350 -0.003 0.000 0.209 519 E C 2.272 178.891 176.600 0.031 0.000 1.036 519 E CA 1.986 58.400 56.400 0.024 0.000 0.849 519 E CB -1.860 27.857 29.700 0.029 0.000 0.767 519 E HN 0.241 nan 8.360 nan 0.000 0.461 520 G N 0.988 109.818 108.800 0.050 0.000 2.587 520 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.217 520 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.217 520 G C 1.841 176.777 174.900 0.059 0.000 1.240 520 G CA 2.405 47.536 45.100 0.053 0.000 0.794 520 G HN 0.306 nan 8.290 nan 0.000 0.580 521 V N 0.136 120.099 119.914 0.083 0.000 2.278 521 V HA -0.267 3.852 4.120 -0.003 0.000 0.251 521 V C 2.771 178.920 176.094 0.091 0.000 1.062 521 V CA 2.134 64.493 62.300 0.098 0.000 1.038 521 V CB -0.861 31.038 31.823 0.126 0.000 0.646 521 V HN 0.411 nan 8.190 nan 0.000 0.447 522 I N 0.774 121.384 120.570 0.068 0.000 2.208 522 I HA -0.208 3.960 4.170 -0.003 0.000 0.245 522 I C 2.542 178.657 176.117 -0.002 0.000 1.097 522 I CA 2.083 63.394 61.300 0.018 0.000 1.363 522 I CB -0.694 37.263 38.000 -0.072 0.000 1.051 522 I HN 0.323 nan 8.210 nan 0.000 0.413 523 D N 0.883 121.283 120.400 -0.000 0.000 2.178 523 D HA -0.143 4.496 4.640 -0.003 0.000 0.201 523 D C 1.848 178.146 176.300 -0.003 0.000 0.980 523 D CA 1.098 55.092 54.000 -0.010 0.000 0.842 523 D CB -0.245 40.553 40.800 -0.004 0.000 0.948 523 D HN 0.365 nan 8.370 nan 0.000 0.472 524 R N -0.294 120.218 120.500 0.021 0.000 2.363 524 R HA 0.154 4.492 4.340 -0.003 0.000 0.236 524 R C -0.192 176.127 176.300 0.030 0.000 0.966 524 R CA -0.169 55.948 56.100 0.028 0.000 1.100 524 R CB 0.006 30.337 30.300 0.050 0.000 1.125 524 R HN 0.038 nan 8.270 nan 0.000 0.514 525 C N 0.806 120.117 119.300 0.017 0.000 2.298 525 C HA 0.310 4.768 4.460 -0.003 0.000 0.323 525 C C 0.994 175.930 174.990 -0.089 0.000 1.284 525 C CA -0.928 58.102 59.018 0.021 0.000 1.577 525 C CB 0.953 28.754 27.740 0.101 0.000 2.249 525 C HN 0.485 nan 8.230 nan 0.000 0.497 526 N N 0.881 119.438 118.700 -0.237 0.000 2.254 526 N HA 0.143 4.881 4.740 -0.003 0.000 0.190 526 N C -0.867 174.144 175.510 -0.832 0.000 1.107 526 N CA 0.529 53.240 53.050 -0.564 0.000 0.869 526 N CB 0.464 38.473 38.487 -0.796 0.000 0.983 526 N HN 0.701 nan 8.380 nan 0.000 0.487 527 Y N -0.761 119.581 120.300 0.071 0.000 2.588 527 Y HA 0.477 5.026 4.550 -0.003 0.000 0.343 527 Y C -0.105 175.868 175.900 0.123 0.000 1.065 527 Y CA -1.544 56.602 58.100 0.078 0.000 1.038 527 Y CB 1.293 39.792 38.460 0.064 0.000 1.297 527 Y HN -0.307 nan 8.280 nan 0.000 0.467 528 V N -0.593 119.497 119.914 0.293 0.000 2.680 528 V HA 0.694 4.812 4.120 -0.003 0.000 0.309 528 V C -0.601 175.624 176.094 0.218 0.000 1.052 528 V CA -1.241 61.231 62.300 0.288 0.000 0.908 528 V CB 1.913 33.894 31.823 0.263 0.000 1.001 528 V HN 0.835 nan 8.190 nan 0.000 0.431 529 R N 2.303 122.906 120.500 0.171 0.000 2.346 529 R HA 0.705 5.043 4.340 -0.003 0.000 0.311 529 R C -0.722 175.641 176.300 0.106 0.000 0.983 529 R CA -0.474 55.688 56.100 0.104 0.000 0.880 529 R CB 1.819 32.148 30.300 0.048 0.000 1.100 529 R HN 0.964 nan 8.270 nan 0.000 0.453 530 V N 2.807 122.779 119.914 0.096 0.000 2.235 530 V HA 0.594 4.712 4.120 -0.003 0.000 0.266 530 V C 0.664 176.806 176.094 0.079 0.000 1.055 530 V CA 0.209 62.568 62.300 0.098 0.000 0.844 530 V CB 0.121 32.001 31.823 0.095 0.000 1.097 530 V HN 1.092 nan 8.190 nan 0.000 0.453 531 G N 4.649 113.498 108.800 0.081 0.000 2.652 531 G HA2 -0.323 3.636 3.960 -0.003 0.000 0.278 531 G HA3 -0.323 3.636 3.960 -0.003 0.000 0.278 531 G C 0.708 175.635 174.900 0.045 0.000 1.263 531 G CA 0.626 45.768 45.100 0.070 0.000 0.966 531 G HN 0.880 nan 8.290 nan 0.000 0.544 532 T N 0.671 115.245 114.554 0.034 0.000 3.014 532 T HA 0.388 4.737 4.350 -0.003 0.000 0.250 532 T C 1.182 175.894 174.700 0.021 0.000 1.060 532 T CA 1.638 63.753 62.100 0.024 0.000 1.040 532 T CB 0.177 69.055 68.868 0.018 0.000 0.971 532 T HN 0.812 nan 8.240 nan 0.000 0.497 533 T N 2.202 116.771 114.554 0.026 0.000 2.881 533 T HA 0.535 4.883 4.350 -0.003 0.000 0.278 533 T C -0.378 174.340 174.700 0.029 0.000 0.982 533 T CA -0.919 61.194 62.100 0.021 0.000 0.989 533 T CB 0.628 69.511 68.868 0.025 0.000 1.058 533 T HN 0.383 nan 8.240 nan 0.000 0.529 534 R N 0.724 121.234 120.500 0.016 0.000 2.795 534 R HA 0.813 5.152 4.340 -0.003 0.000 0.275 534 R C -2.046 174.283 176.300 0.049 0.000 0.981 534 R CA -0.861 55.259 56.100 0.032 0.000 0.917 534 R CB 1.568 31.850 30.300 -0.029 0.000 1.202 534 R HN 0.428 nan 8.270 nan 0.000 0.469 535 V N 1.721 121.707 119.914 0.120 0.000 2.971 535 V HA 0.484 4.602 4.120 -0.003 0.000 0.309 535 V C -2.390 173.858 176.094 0.257 0.000 1.130 535 V CA -2.165 60.221 62.300 0.143 0.000 0.964 535 V CB 2.501 34.393 31.823 0.114 0.000 1.029 535 V HN 0.830 nan 8.190 nan 0.000 0.427 536 P HA 0.089 nan 4.420 nan 0.000 0.267 536 P C -0.343 177.031 177.300 0.122 0.000 1.205 536 P CA -0.190 63.080 63.100 0.284 0.000 0.765 536 P CB 0.554 32.371 31.700 0.195 0.000 0.828 537 M N 4.232 123.856 119.600 0.040 0.000 2.251 537 M HA 0.131 4.610 4.480 -0.003 0.000 0.343 537 M C -0.049 176.244 176.300 -0.012 0.000 1.245 537 M CA 1.244 56.548 55.300 0.007 0.000 1.061 537 M CB 0.020 32.589 32.600 -0.051 0.000 1.723 537 M HN 0.519 nan 8.290 nan 0.000 0.449 538 T N 1.601 116.149 114.554 -0.010 0.000 2.901 538 T HA 0.667 5.015 4.350 -0.003 0.000 0.293 538 T C 0.910 175.587 174.700 -0.038 0.000 1.084 538 T CA -0.603 61.485 62.100 -0.020 0.000 1.008 538 T CB 1.209 70.073 68.868 -0.007 0.000 1.170 538 T HN 0.754 nan 8.240 nan 0.000 0.509 539 G N 1.680 110.455 108.800 -0.042 0.000 2.631 539 G HA2 -0.145 3.813 3.960 -0.003 0.000 0.219 539 G HA3 -0.145 3.813 3.960 -0.003 0.000 0.219 539 G C -0.309 174.556 174.900 -0.058 0.000 1.214 539 G CA 1.415 46.485 45.100 -0.050 0.000 0.785 539 G HN 0.739 nan 8.290 nan 0.000 0.596 540 P HA -0.099 nan 4.420 nan 0.000 0.213 540 P C 2.119 179.381 177.300 -0.062 0.000 1.170 540 P CA 2.067 65.129 63.100 -0.063 0.000 0.898 540 P CB -0.490 31.169 31.700 -0.068 0.000 0.787 541 V N 1.050 120.936 119.914 -0.047 0.000 2.380 541 V HA -0.252 3.866 4.120 -0.003 0.000 0.251 541 V C 2.902 178.941 176.094 -0.092 0.000 1.063 541 V CA 2.308 64.581 62.300 -0.044 0.000 1.055 541 V CB -1.500 30.319 31.823 -0.007 0.000 0.657 541 V HN 0.177 nan 8.190 nan 0.000 0.455 542 K N -0.201 120.140 120.400 -0.099 0.000 2.025 542 K HA -0.189 4.129 4.320 -0.003 0.000 0.207 542 K C 2.275 178.798 176.600 -0.129 0.000 1.049 542 K CA 1.423 57.628 56.287 -0.135 0.000 0.933 542 K CB -0.086 32.349 32.500 -0.108 0.000 0.714 542 K HN 0.373 nan 8.250 nan 0.000 0.438 543 E N 1.216 121.356 120.200 -0.100 0.000 2.058 543 E HA -0.224 4.124 4.350 -0.003 0.000 0.194 543 E C 1.851 178.385 176.600 -0.110 0.000 0.997 543 E CA 1.290 57.634 56.400 -0.093 0.000 0.801 543 E CB -0.276 29.378 29.700 -0.077 0.000 0.746 543 E HN 0.155 nan 8.360 nan 0.000 0.450 544 K N 1.057 121.388 120.400 -0.115 0.000 2.009 544 K HA -0.095 4.223 4.320 -0.003 0.000 0.210 544 K C 2.147 178.632 176.600 -0.191 0.000 1.049 544 K CA 1.220 57.420 56.287 -0.145 0.000 0.929 544 K CB -0.698 31.724 32.500 -0.131 0.000 0.714 544 K HN 0.099 nan 8.250 nan 0.000 0.440 545 I N 0.564 121.033 120.570 -0.168 0.000 2.091 545 I HA -0.394 3.774 4.170 -0.003 0.000 0.240 545 I C 2.282 178.331 176.117 -0.114 0.000 1.046 545 I CA 1.772 63.005 61.300 -0.113 0.000 1.306 545 I CB -0.453 37.365 38.000 -0.304 0.000 1.018 545 I HN 0.176 nan 8.210 nan 0.000 0.404 546 L N 0.485 121.625 121.223 -0.137 0.000 1.989 546 L HA -0.266 4.073 4.340 -0.003 0.000 0.211 546 L C 2.917 179.720 176.870 -0.112 0.000 1.071 546 L CA 1.972 56.746 54.840 -0.109 0.000 0.749 546 L CB -0.935 41.068 42.059 -0.093 0.000 0.890 546 L HN 0.448 nan 8.230 nan 0.000 0.431 547 S N -0.054 115.573 115.700 -0.121 0.000 2.368 547 S HA -0.222 4.246 4.470 -0.003 0.000 0.226 547 S C 1.871 176.383 174.600 -0.147 0.000 1.044 547 S CA 1.865 59.997 58.200 -0.113 0.000 1.062 547 S CB -1.199 61.934 63.200 -0.113 0.000 0.931 547 S HN 0.198 nan 8.310 nan 0.000 0.440 548 V N 2.214 121.976 119.914 -0.253 0.000 2.594 548 V HA -0.094 4.024 4.120 -0.003 0.000 0.253 548 V C 2.482 178.288 176.094 -0.479 0.000 1.069 548 V CA 1.319 63.374 62.300 -0.408 0.000 1.082 548 V CB -0.914 30.482 31.823 -0.711 0.000 0.680 548 V HN 0.502 nan 8.190 nan 0.000 0.469 549 I N 0.243 120.653 120.570 -0.267 0.000 2.286 549 I HA -0.175 3.993 4.170 -0.003 0.000 0.245 549 I C 2.422 178.522 176.117 -0.029 0.000 1.104 549 I CA 1.641 62.850 61.300 -0.152 0.000 1.397 549 I CB -0.918 37.044 38.000 -0.063 0.000 1.072 549 I HN 0.337 nan 8.210 nan 0.000 0.417 550 K N 1.077 121.459 120.400 -0.030 0.000 2.097 550 K HA -0.208 4.110 4.320 -0.003 0.000 0.205 550 K C 2.106 178.744 176.600 0.063 0.000 1.050 550 K CA 1.273 57.571 56.287 0.018 0.000 0.938 550 K CB 0.017 32.515 32.500 -0.004 0.000 0.718 550 K HN 0.237 nan 8.250 nan 0.000 0.442 551 E N -0.254 119.983 120.200 0.062 0.000 2.021 551 E HA -0.233 4.115 4.350 -0.003 0.000 0.200 551 E C 1.590 178.355 176.600 0.276 0.000 1.015 551 E CA 1.749 58.235 56.400 0.142 0.000 0.824 551 E CB -0.197 29.596 29.700 0.155 0.000 0.762 551 E HN 0.384 nan 8.360 nan 0.000 0.454 552 W N -0.053 121.266 121.300 0.032 0.000 2.325 552 W HA -0.075 4.583 4.660 -0.003 0.000 0.299 552 W C 2.323 178.864 176.519 0.036 0.000 1.215 552 W CA 1.427 58.797 57.345 0.043 0.000 1.244 552 W CB -1.080 28.425 29.460 0.076 0.000 1.140 552 W HN 0.299 nan 8.180 nan 0.000 0.523 553 G N -2.627 106.331 108.800 0.265 0.000 2.719 553 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.211 553 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.211 553 G C 1.451 176.413 174.900 0.103 0.000 1.140 553 G CA 1.051 46.248 45.100 0.161 0.000 0.790 553 G HN 0.186 nan 8.290 nan 0.000 0.529 554 T N 0.549 115.159 114.554 0.094 0.000 3.010 554 T HA 0.247 4.595 4.350 -0.003 0.000 0.252 554 T C 1.708 176.439 174.700 0.052 0.000 1.047 554 T CA 0.510 62.645 62.100 0.057 0.000 1.140 554 T CB -0.017 68.875 68.868 0.039 0.000 0.885 554 T HN 0.312 nan 8.240 nan 0.000 0.464 555 G N 0.451 109.294 108.800 0.072 0.000 2.647 555 G HA2 0.107 4.065 3.960 -0.003 0.000 0.271 555 G HA3 0.107 4.065 3.960 -0.003 0.000 0.271 555 G C 0.730 175.654 174.900 0.040 0.000 1.300 555 G CA -0.472 44.662 45.100 0.055 0.000 0.997 555 G HN 0.262 nan 8.290 nan 0.000 0.533 556 R N -0.807 119.707 120.500 0.024 0.000 2.200 556 R HA -0.096 4.243 4.340 -0.003 0.000 0.234 556 R C 1.585 177.886 176.300 0.000 0.000 1.127 556 R CA 1.486 57.592 56.100 0.010 0.000 0.989 556 R CB -0.185 30.115 30.300 0.001 0.000 0.869 556 R HN 0.575 nan 8.270 nan 0.000 0.459 557 D N 0.443 120.842 120.400 -0.002 0.000 2.144 557 D HA -0.133 4.506 4.640 -0.003 0.000 0.199 557 D C 0.382 176.677 176.300 -0.008 0.000 0.984 557 D CA 1.918 55.900 54.000 -0.030 0.000 0.834 557 D CB -0.287 40.471 40.800 -0.070 0.000 0.955 557 D HN 0.436 nan 8.370 nan 0.000 0.465 558 T N -0.984 113.586 114.554 0.027 0.000 3.357 558 T HA -0.231 4.118 4.350 -0.003 0.000 0.422 558 T C -0.050 174.672 174.700 0.038 0.000 0.768 558 T CA 0.201 62.323 62.100 0.036 0.000 2.153 558 T CB -2.435 66.444 68.868 0.020 0.000 1.688 558 T HN 0.150 nan 8.240 nan 0.000 0.659 559 L N 0.622 121.888 121.223 0.071 0.000 2.334 559 L HA 0.639 4.977 4.340 -0.003 0.000 0.273 559 L C 0.837 177.779 176.870 0.120 0.000 1.013 559 L CA -1.361 53.526 54.840 0.079 0.000 0.816 559 L CB 1.803 43.907 42.059 0.075 0.000 1.278 559 L HN 0.398 nan 8.230 nan 0.000 0.431 560 R N 1.291 121.850 120.500 0.098 0.000 2.265 560 R HA 0.411 4.750 4.340 -0.003 0.000 0.314 560 R C -1.369 175.014 176.300 0.139 0.000 1.053 560 R CA -0.367 55.794 56.100 0.101 0.000 0.931 560 R CB 0.687 31.028 30.300 0.067 0.000 1.024 560 R HN 0.646 nan 8.270 nan 0.000 0.457 561 C N 6.213 125.601 119.300 0.147 0.000 2.303 561 C HA 0.417 4.875 4.460 -0.003 0.000 0.326 561 C C -0.157 174.897 174.990 0.107 0.000 1.285 561 C CA -0.794 58.322 59.018 0.164 0.000 1.675 561 C CB 0.335 28.181 27.740 0.176 0.000 2.289 561 C HN 0.705 nan 8.230 nan 0.000 0.512 562 L N 3.770 125.049 121.223 0.093 0.000 2.276 562 L HA 0.513 4.851 4.340 -0.003 0.000 0.286 562 L C 0.695 177.592 176.870 0.046 0.000 1.024 562 L CA -0.010 54.867 54.840 0.062 0.000 0.826 562 L CB 0.861 42.944 42.059 0.040 0.000 1.211 562 L HN 0.836 nan 8.230 nan 0.000 0.422 563 A N 5.559 128.421 122.820 0.070 0.000 2.407 563 A HA 0.689 5.007 4.320 -0.003 0.000 0.248 563 A C -0.401 177.204 177.584 0.036 0.000 1.082 563 A CA -0.113 51.984 52.037 0.100 0.000 0.785 563 A CB 0.412 19.521 19.000 0.182 0.000 1.020 563 A HN 0.692 nan 8.150 nan 0.000 0.489 564 L N 0.949 122.128 121.223 -0.074 0.000 2.386 564 L HA 0.780 5.118 4.340 -0.003 0.000 0.271 564 L C 0.150 176.918 176.870 -0.170 0.000 0.993 564 L CA -0.391 54.378 54.840 -0.119 0.000 0.819 564 L CB 1.935 43.887 42.059 -0.178 0.000 1.294 564 L HN 0.906 nan 8.230 nan 0.000 0.414 565 A N 1.311 124.109 122.820 -0.037 0.000 2.588 565 A HA 0.921 5.240 4.320 -0.003 0.000 0.290 565 A C -0.767 176.873 177.584 0.094 0.000 1.136 565 A CA -0.393 51.647 52.037 0.005 0.000 0.681 565 A CB 2.235 21.285 19.000 0.082 0.000 1.282 565 A HN 0.648 nan 8.150 nan 0.000 0.421 566 T N -1.479 113.143 114.554 0.112 0.000 2.903 566 T HA 0.705 5.054 4.350 -0.003 0.000 0.299 566 T C -0.639 174.097 174.700 0.060 0.000 1.093 566 T CA -0.675 61.510 62.100 0.141 0.000 1.002 566 T CB 1.681 70.698 68.868 0.250 0.000 1.127 566 T HN 0.856 nan 8.240 nan 0.000 0.488 567 R N 1.371 121.854 120.500 -0.027 0.000 2.215 567 R HA 0.300 4.639 4.340 -0.003 0.000 0.336 567 R C 0.069 176.327 176.300 -0.070 0.000 0.996 567 R CA -0.490 55.598 56.100 -0.019 0.000 0.847 567 R CB 0.404 30.678 30.300 -0.043 0.000 1.127 567 R HN 0.675 nan 8.270 nan 0.000 0.465 568 D N 1.463 121.855 120.400 -0.014 0.000 2.117 568 D HA -0.115 4.523 4.640 -0.003 0.000 0.197 568 D C 0.552 176.810 176.300 -0.070 0.000 0.987 568 D CA 1.636 55.609 54.000 -0.045 0.000 0.829 568 D CB 0.339 41.117 40.800 -0.038 0.000 0.961 568 D HN 0.603 nan 8.370 nan 0.000 0.460 569 T N -0.186 114.342 114.554 -0.043 0.000 3.150 569 T HA 0.372 4.720 4.350 -0.003 0.000 0.383 569 T C -2.797 171.887 174.700 -0.026 0.000 1.313 569 T CA -1.752 60.324 62.100 -0.040 0.000 1.235 569 T CB 2.161 71.021 68.868 -0.014 0.000 1.088 569 T HN -0.196 nan 8.240 nan 0.000 0.556 570 P HA 0.326 nan 4.420 nan 0.000 0.273 570 P C -2.325 175.002 177.300 0.045 0.000 1.250 570 P CA -1.169 61.906 63.100 -0.042 0.000 0.793 570 P CB -0.121 31.461 31.700 -0.196 0.000 1.011 571 P HA 0.119 nan 4.420 nan 0.000 0.272 571 P C -0.210 177.159 177.300 0.114 0.000 1.240 571 P CA -0.048 63.102 63.100 0.083 0.000 0.791 571 P CB 0.623 32.364 31.700 0.068 0.000 0.978 572 K N 0.574 121.019 120.400 0.074 0.000 2.319 572 K HA 0.069 4.388 4.320 -0.003 0.000 0.265 572 K C 1.666 178.279 176.600 0.022 0.000 1.000 572 K CA -0.177 56.152 56.287 0.071 0.000 0.943 572 K CB 0.555 33.077 32.500 0.037 0.000 0.950 572 K HN 0.367 nan 8.250 nan 0.000 0.485 573 R N 2.207 122.697 120.500 -0.017 0.000 2.080 573 R HA -0.194 4.145 4.340 -0.003 0.000 0.236 573 R C 1.913 178.126 176.300 -0.144 0.000 1.137 573 R CA 2.147 58.151 56.100 -0.160 0.000 0.943 573 R CB -0.093 30.083 30.300 -0.206 0.000 0.846 573 R HN 0.780 nan 8.270 nan 0.000 0.431 574 E N 0.348 120.495 120.200 -0.088 0.000 2.333 574 E HA -0.216 4.133 4.350 -0.003 0.000 0.200 574 E C 0.415 176.980 176.600 -0.058 0.000 1.010 574 E CA 1.187 57.544 56.400 -0.073 0.000 0.841 574 E CB -0.101 29.574 29.700 -0.042 0.000 0.757 574 E HN 0.456 nan 8.360 nan 0.000 0.508 575 E N 0.256 120.425 120.200 -0.052 0.000 2.465 575 E HA 0.228 4.576 4.350 -0.003 0.000 0.191 575 E C 0.256 176.830 176.600 -0.043 0.000 1.053 575 E CA 0.127 56.514 56.400 -0.022 0.000 0.869 575 E CB 0.068 29.774 29.700 0.009 0.000 0.977 575 E HN 0.413 nan 8.360 nan 0.000 0.483 576 M N 0.712 120.231 119.600 -0.134 0.000 2.243 576 M HA 0.285 4.764 4.480 -0.003 0.000 0.324 576 M C -0.469 175.776 176.300 -0.092 0.000 1.031 576 M CA -0.760 54.403 55.300 -0.229 0.000 0.949 576 M CB 2.774 35.064 32.600 -0.516 0.000 1.615 576 M HN -0.355 nan 8.290 nan 0.000 0.430 577 V N 5.325 125.324 119.914 0.141 0.000 2.284 577 V HA 0.136 4.255 4.120 -0.003 0.000 0.260 577 V C 1.072 177.295 176.094 0.215 0.000 1.084 577 V CA -0.227 62.142 62.300 0.115 0.000 0.894 577 V CB -0.172 31.718 31.823 0.112 0.000 1.119 577 V HN 0.856 nan 8.190 nan 0.000 0.484 578 L N 2.270 123.524 121.223 0.052 0.000 2.633 578 L HA -0.043 4.295 4.340 -0.003 0.000 0.235 578 L C 1.416 178.433 176.870 0.245 0.000 1.163 578 L CA 0.833 55.738 54.840 0.108 0.000 0.859 578 L CB -0.615 41.248 42.059 -0.327 0.000 0.973 578 L HN 0.733 nan 8.230 nan 0.000 0.451 579 D N -1.893 118.588 120.400 0.136 0.000 2.407 579 D HA -0.030 4.608 4.640 -0.003 0.000 0.208 579 D C 0.075 176.251 176.300 -0.206 0.000 1.083 579 D CA -0.213 53.843 54.000 0.094 0.000 0.844 579 D CB 0.144 40.992 40.800 0.081 0.000 0.967 579 D HN 0.276 nan 8.370 nan 0.000 0.506 580 D N 0.479 120.702 120.400 -0.294 0.000 2.454 580 D HA 0.092 4.731 4.640 -0.003 0.000 0.247 580 D C 1.048 176.820 176.300 -0.881 0.000 1.129 580 D CA -0.731 52.956 54.000 -0.521 0.000 0.877 580 D CB 1.405 42.049 40.800 -0.260 0.000 1.082 580 D HN -0.018 nan 8.370 nan 0.000 0.537 581 S N 2.185 117.110 115.700 -1.291 0.000 2.407 581 S HA -0.335 4.133 4.470 -0.003 0.000 0.235 581 S C 1.807 175.693 174.600 -1.189 0.000 1.036 581 S CA 1.465 58.615 58.200 -1.750 0.000 1.013 581 S CB -0.809 61.960 63.200 -0.717 0.000 0.820 581 S HN 0.558 nan 8.310 nan 0.000 0.476 582 S N 2.638 117.949 115.700 -0.648 0.000 2.402 582 S HA -0.145 4.323 4.470 -0.003 0.000 0.233 582 S C 1.817 176.174 174.600 -0.405 0.000 1.030 582 S CA 1.044 59.003 58.200 -0.402 0.000 1.003 582 S CB -0.599 62.442 63.200 -0.265 0.000 0.813 582 S HN 0.675 nan 8.310 nan 0.000 0.477 583 R N -0.315 119.866 120.500 -0.532 0.000 2.307 583 R HA 0.190 4.529 4.340 -0.003 0.000 0.199 583 R C 1.424 177.260 176.300 -0.774 0.000 1.000 583 R CA 0.539 56.258 56.100 -0.636 0.000 1.023 583 R CB -0.339 29.535 30.300 -0.710 0.000 0.908 583 R HN 0.376 nan 8.270 nan 0.000 0.473 584 F N 1.016 120.688 119.950 -0.463 0.000 2.095 584 F HA -0.202 4.324 4.527 -0.003 0.000 0.298 584 F C 2.321 178.066 175.800 -0.093 0.000 1.104 584 F CA 0.867 58.766 58.000 -0.169 0.000 1.232 584 F CB -0.887 38.129 39.000 0.027 0.000 0.987 584 F HN 0.006 nan 8.300 nan 0.000 0.475 585 M N 0.048 119.695 119.600 0.078 0.000 2.149 585 M HA -0.243 4.235 4.480 -0.003 0.000 0.261 585 M C 2.316 178.640 176.300 0.040 0.000 1.064 585 M CA 1.852 57.184 55.300 0.054 0.000 1.102 585 M CB -0.322 32.279 32.600 0.003 0.000 1.369 585 M HN 0.262 nan 8.290 nan 0.000 0.408 586 E N -0.491 119.681 120.200 -0.046 0.000 2.110 586 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 586 E C 1.533 178.225 176.600 0.153 0.000 0.988 586 E CA 1.354 57.749 56.400 -0.007 0.000 0.804 586 E CB -0.156 29.482 29.700 -0.105 0.000 0.745 586 E HN 0.594 nan 8.360 nan 0.000 0.458 587 Y N 0.923 121.307 120.300 0.141 0.000 2.421 587 Y HA 0.045 4.593 4.550 -0.003 0.000 0.292 587 Y C 0.676 176.638 175.900 0.103 0.000 1.136 587 Y CA 0.630 58.814 58.100 0.140 0.000 1.255 587 Y CB -0.013 38.562 38.460 0.192 0.000 0.991 587 Y HN 0.048 nan 8.280 nan 0.000 0.552 588 E N 0.810 121.158 120.200 0.248 0.000 2.597 588 E HA 0.246 4.594 4.350 -0.003 0.000 0.235 588 E C -0.069 176.602 176.600 0.119 0.000 1.155 588 E CA -0.227 56.268 56.400 0.158 0.000 1.199 588 E CB 0.195 29.982 29.700 0.145 0.000 1.409 588 E HN 0.203 nan 8.360 nan 0.000 0.453 589 T N -2.370 112.253 114.554 0.115 0.000 2.841 589 T HA 0.331 4.679 4.350 -0.003 0.000 0.296 589 T C -0.067 174.683 174.700 0.084 0.000 1.166 589 T CA -0.826 61.325 62.100 0.085 0.000 1.007 589 T CB 1.641 70.553 68.868 0.075 0.000 1.253 589 T HN 0.133 nan 8.240 nan 0.000 0.511 590 D N -0.195 120.239 120.400 0.057 0.000 2.746 590 D HA -0.132 4.507 4.640 -0.003 0.000 0.236 590 D C -0.399 175.972 176.300 0.120 0.000 1.129 590 D CA 0.598 54.636 54.000 0.063 0.000 0.691 590 D CB -1.569 39.296 40.800 0.107 0.000 1.077 590 D HN 0.679 nan 8.370 nan 0.000 0.432 591 L N -0.470 120.809 121.223 0.093 0.000 2.454 591 L HA 0.558 4.897 4.340 -0.003 0.000 0.256 591 L C 1.171 178.152 176.870 0.186 0.000 1.136 591 L CA -0.035 54.884 54.840 0.132 0.000 0.804 591 L CB 1.131 43.257 42.059 0.112 0.000 1.181 591 L HN 0.299 nan 8.230 nan 0.000 0.469 592 T N -1.644 113.031 114.554 0.201 0.000 2.833 592 T HA 0.334 4.683 4.350 -0.003 0.000 0.297 592 T C -0.592 174.219 174.700 0.186 0.000 1.015 592 T CA -0.519 61.726 62.100 0.242 0.000 0.963 592 T CB 0.666 69.674 68.868 0.233 0.000 0.955 592 T HN 0.269 nan 8.240 nan 0.000 0.449 593 F N 5.061 125.057 119.950 0.076 0.000 2.602 593 F HA 0.340 4.865 4.527 -0.003 0.000 0.385 593 F C 1.058 176.877 175.800 0.032 0.000 1.063 593 F CA -0.205 57.817 58.000 0.036 0.000 1.233 593 F CB 0.734 39.749 39.000 0.025 0.000 1.067 593 F HN 0.539 nan 8.300 nan 0.000 0.564 594 V N 3.511 122.953 119.914 -0.786 0.000 3.276 594 V HA 0.710 4.829 4.120 -0.003 0.000 0.319 594 V C 0.382 175.981 176.094 -0.826 0.000 1.427 594 V CA 0.339 62.289 62.300 -0.582 0.000 1.102 594 V CB -0.398 31.263 31.823 -0.270 0.000 1.020 594 V HN 1.459 nan 8.190 nan 0.000 0.456 595 G N -0.129 107.603 108.800 -1.781 0.000 2.465 595 G HA2 0.345 4.303 3.960 -0.003 0.000 0.681 595 G HA3 0.345 4.303 3.960 -0.003 0.000 0.681 595 G C -1.007 173.429 174.900 -0.774 0.000 1.340 595 G CA -0.071 44.347 45.100 -1.136 0.000 0.884 595 G HN 1.561 nan 8.290 nan 0.000 0.650 596 V N -0.299 119.185 119.914 -0.716 0.000 2.881 596 V HA 0.942 5.061 4.120 -0.003 0.000 0.316 596 V C -0.282 175.715 176.094 -0.162 0.000 1.070 596 V CA -0.762 61.311 62.300 -0.378 0.000 0.976 596 V CB 1.952 33.569 31.823 -0.345 0.000 1.038 596 V HN 1.496 nan 8.190 nan 0.000 0.446 597 V N 3.110 123.051 119.914 0.046 0.000 2.735 597 V HA 0.869 4.987 4.120 -0.003 0.000 0.310 597 V C 0.504 176.779 176.094 0.302 0.000 1.061 597 V CA 0.234 62.652 62.300 0.197 0.000 0.913 597 V CB 1.915 33.784 31.823 0.077 0.000 1.005 597 V HN 1.332 nan 8.190 nan 0.000 0.428 598 G N 5.100 114.121 108.800 0.368 0.000 2.461 598 G HA2 0.763 4.721 3.960 -0.003 0.000 0.323 598 G HA3 0.763 4.721 3.960 -0.003 0.000 0.323 598 G C -0.813 174.135 174.900 0.080 0.000 1.229 598 G CA -0.665 44.604 45.100 0.282 0.000 0.941 598 G HN 0.685 nan 8.290 nan 0.000 0.477 599 M N 1.249 120.891 119.600 0.070 0.000 2.690 599 M HA 0.844 5.322 4.480 -0.003 0.000 0.302 599 M C -1.830 174.479 176.300 0.014 0.000 1.234 599 M CA -1.231 54.084 55.300 0.026 0.000 0.853 599 M CB 2.507 35.131 32.600 0.040 0.000 1.748 599 M HN 0.401 nan 8.290 nan 0.000 0.469 600 L N 1.331 122.550 121.223 -0.008 0.000 2.386 600 L HA 0.594 4.932 4.340 -0.003 0.000 0.271 600 L C -1.592 175.271 176.870 -0.013 0.000 0.993 600 L CA 0.150 54.982 54.840 -0.013 0.000 0.819 600 L CB 2.029 44.066 42.059 -0.037 0.000 1.294 600 L HN 0.832 nan 8.230 nan 0.000 0.414 601 D N 6.160 126.557 120.400 -0.005 0.000 2.514 601 D HA 0.343 4.981 4.640 -0.003 0.000 0.267 601 D C -2.425 173.867 176.300 -0.013 0.000 1.165 601 D CA -1.962 52.036 54.000 -0.004 0.000 0.958 601 D CB 0.676 41.484 40.800 0.012 0.000 0.992 601 D HN 0.331 nan 8.370 nan 0.000 0.506 602 P HA 0.004 nan 4.420 nan 0.000 0.257 602 P C -2.425 174.861 177.300 -0.022 0.000 1.162 602 P CA -0.729 62.354 63.100 -0.028 0.000 0.762 602 P CB 0.165 31.843 31.700 -0.037 0.000 0.753 603 P HA 0.061 nan 4.420 nan 0.000 0.268 603 P C 0.399 177.690 177.300 -0.014 0.000 1.208 603 P CA 0.329 63.413 63.100 -0.027 0.000 0.777 603 P CB 0.435 32.114 31.700 -0.036 0.000 0.875 604 R N 2.325 122.824 120.500 -0.003 0.000 2.438 604 R HA 0.093 4.431 4.340 -0.003 0.000 0.287 604 R C 1.563 177.873 176.300 0.017 0.000 1.077 604 R CA -0.199 55.910 56.100 0.015 0.000 1.034 604 R CB 0.355 30.679 30.300 0.040 0.000 0.993 604 R HN 0.493 nan 8.270 nan 0.000 0.459 605 K N 2.233 122.642 120.400 0.015 0.000 2.049 605 K HA -0.270 4.048 4.320 -0.003 0.000 0.219 605 K C 1.342 177.958 176.600 0.026 0.000 1.056 605 K CA 2.193 58.488 56.287 0.014 0.000 0.946 605 K CB -0.029 32.479 32.500 0.012 0.000 0.723 605 K HN 0.512 nan 8.250 nan 0.000 0.453 606 E N 0.741 120.966 120.200 0.041 0.000 2.418 606 E HA -0.071 4.278 4.350 -0.003 0.000 0.197 606 E C 1.855 178.510 176.600 0.092 0.000 1.026 606 E CA 0.359 56.794 56.400 0.058 0.000 0.862 606 E CB -0.250 29.485 29.700 0.060 0.000 0.799 606 E HN 0.048 nan 8.360 nan 0.000 0.518 607 V N 0.922 120.889 119.914 0.089 0.000 2.261 607 V HA -0.301 3.817 4.120 -0.003 0.000 0.246 607 V C 2.090 178.214 176.094 0.051 0.000 1.047 607 V CA 1.716 64.075 62.300 0.099 0.000 1.015 607 V CB -0.408 31.412 31.823 -0.005 0.000 0.642 607 V HN 0.337 nan 8.190 nan 0.000 0.446 608 M N 0.209 119.818 119.600 0.014 0.000 2.089 608 M HA -0.200 4.278 4.480 -0.003 0.000 0.257 608 M C 2.265 178.581 176.300 0.026 0.000 1.071 608 M CA 2.456 57.758 55.300 0.003 0.000 1.096 608 M CB -1.932 30.669 32.600 0.000 0.000 1.330 608 M HN 0.470 nan 8.290 nan 0.000 0.403 609 G N -0.562 108.264 108.800 0.043 0.000 2.404 609 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.214 609 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.214 609 G C 1.702 176.647 174.900 0.075 0.000 1.189 609 G CA 1.004 46.133 45.100 0.048 0.000 0.789 609 G HN 0.486 nan 8.290 nan 0.000 0.533 610 S N 0.807 116.580 115.700 0.122 0.000 2.374 610 S HA -0.123 4.346 4.470 -0.003 0.000 0.227 610 S C 2.288 177.028 174.600 0.232 0.000 1.037 610 S CA 1.022 59.328 58.200 0.177 0.000 1.024 610 S CB -0.203 63.162 63.200 0.274 0.000 0.861 610 S HN 0.252 nan 8.310 nan 0.000 0.456 611 I N 1.616 122.318 120.570 0.220 0.000 2.264 611 I HA -0.178 3.990 4.170 -0.003 0.000 0.248 611 I C 2.587 178.749 176.117 0.076 0.000 1.111 611 I CA 1.391 62.768 61.300 0.129 0.000 1.382 611 I CB -1.418 36.568 38.000 -0.023 0.000 1.060 611 I HN 0.307 nan 8.210 nan 0.000 0.418 612 Q N 1.318 121.152 119.800 0.057 0.000 2.016 612 Q HA -0.112 4.226 4.340 -0.003 0.000 0.200 612 Q C 2.313 178.336 176.000 0.039 0.000 0.978 612 Q CA 1.566 57.390 55.803 0.036 0.000 0.833 612 Q CB -0.485 28.270 28.738 0.028 0.000 0.895 612 Q HN 0.467 nan 8.270 nan 0.000 0.427 613 L N -0.418 120.833 121.223 0.046 0.000 2.089 613 L HA -0.311 4.027 4.340 -0.003 0.000 0.213 613 L C 2.524 179.414 176.870 0.034 0.000 1.079 613 L CA 1.335 56.196 54.840 0.034 0.000 0.758 613 L CB -0.772 41.304 42.059 0.029 0.000 0.891 613 L HN 0.388 nan 8.230 nan 0.000 0.433 614 C N -0.468 118.864 119.300 0.053 0.000 2.425 614 C HA -0.135 4.323 4.460 -0.003 0.000 0.277 614 C C 2.904 177.914 174.990 0.034 0.000 1.280 614 C CA 0.526 59.574 59.018 0.050 0.000 1.744 614 C CB -1.017 26.779 27.740 0.093 0.000 1.989 614 C HN 0.450 nan 8.230 nan 0.000 0.491 615 R N 0.979 121.496 120.500 0.029 0.000 2.073 615 R HA -0.121 4.217 4.340 -0.003 0.000 0.234 615 R C 1.739 178.048 176.300 0.016 0.000 1.134 615 R CA 1.728 57.838 56.100 0.017 0.000 0.952 615 R CB -0.465 29.843 30.300 0.013 0.000 0.850 615 R HN 0.541 nan 8.270 nan 0.000 0.433 616 D N 0.768 121.179 120.400 0.018 0.000 2.123 616 D HA -0.139 4.500 4.640 -0.003 0.000 0.196 616 D C 1.635 177.943 176.300 0.014 0.000 0.992 616 D CA 1.586 55.595 54.000 0.015 0.000 0.833 616 D CB -0.244 40.565 40.800 0.015 0.000 0.954 616 D HN 0.265 nan 8.370 nan 0.000 0.455 617 A N -0.142 122.688 122.820 0.016 0.000 2.206 617 A HA 0.324 4.642 4.320 -0.003 0.000 0.211 617 A C 1.822 179.414 177.584 0.014 0.000 1.158 617 A CA 1.192 53.237 52.037 0.014 0.000 0.761 617 A CB -0.473 18.534 19.000 0.013 0.000 0.801 617 A HN 0.281 nan 8.150 nan 0.000 0.473 618 G N -0.700 108.109 108.800 0.014 0.000 2.179 618 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.257 618 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.257 618 G C 0.044 174.953 174.900 0.015 0.000 1.010 618 G CA 0.484 45.591 45.100 0.013 0.000 0.736 618 G HN 0.582 nan 8.290 nan 0.000 0.513 619 I N 0.548 121.129 120.570 0.019 0.000 2.304 619 I HA 0.333 4.502 4.170 -0.003 0.000 0.291 619 I C 0.982 177.117 176.117 0.030 0.000 1.018 619 I CA -0.901 60.414 61.300 0.024 0.000 1.260 619 I CB 1.091 39.107 38.000 0.026 0.000 1.390 619 I HN 0.181 nan 8.210 nan 0.000 0.475 620 R N 5.214 125.730 120.500 0.026 0.000 2.641 620 R HA 0.500 4.838 4.340 -0.003 0.000 0.269 620 R C -1.184 175.136 176.300 0.033 0.000 1.074 620 R CA -0.208 55.903 56.100 0.017 0.000 1.133 620 R CB 0.974 31.282 30.300 0.013 0.000 1.029 620 R HN 0.478 nan 8.270 nan 0.000 0.488 621 V N 5.736 125.652 119.914 0.003 0.000 2.588 621 V HA 0.426 4.544 4.120 -0.003 0.000 0.304 621 V C -0.326 175.734 176.094 -0.057 0.000 1.042 621 V CA -0.676 61.634 62.300 0.016 0.000 0.877 621 V CB 1.856 33.691 31.823 0.021 0.000 0.996 621 V HN 0.653 nan 8.190 nan 0.000 0.425 622 I N 4.899 125.463 120.570 -0.010 0.000 2.436 622 I HA 0.489 4.657 4.170 -0.003 0.000 0.289 622 I C -0.226 175.882 176.117 -0.015 0.000 1.010 622 I CA -0.418 60.865 61.300 -0.028 0.000 1.098 622 I CB 1.909 39.954 38.000 0.076 0.000 1.266 622 I HN 0.582 nan 8.210 nan 0.000 0.434 623 M N 7.267 126.823 119.600 -0.074 0.000 2.233 623 M HA 0.564 5.042 4.480 -0.003 0.000 0.355 623 M C -1.429 174.904 176.300 0.054 0.000 1.191 623 M CA -0.117 55.156 55.300 -0.045 0.000 1.101 623 M CB 1.164 33.700 32.600 -0.106 0.000 1.592 623 M HN 0.507 nan 8.290 nan 0.000 0.461 624 I N 4.821 125.432 120.570 0.068 0.000 2.439 624 I HA 0.368 4.537 4.170 -0.003 0.000 0.283 624 I C -0.078 176.077 176.117 0.065 0.000 1.023 624 I CA -0.379 60.985 61.300 0.106 0.000 1.100 624 I CB 1.975 40.033 38.000 0.097 0.000 1.238 624 I HN 0.821 nan 8.210 nan 0.000 0.445 625 T N 0.938 115.534 114.554 0.070 0.000 2.604 625 T HA 0.616 4.964 4.350 -0.003 0.000 0.267 625 T C 0.555 175.292 174.700 0.062 0.000 0.923 625 T CA -0.128 62.004 62.100 0.053 0.000 1.077 625 T CB 1.754 70.647 68.868 0.041 0.000 1.392 625 T HN 0.509 nan 8.240 nan 0.000 0.531 626 G N -0.417 108.417 108.800 0.058 0.000 3.528 626 G HA2 0.267 4.226 3.960 -0.003 0.000 0.266 626 G HA3 0.267 4.226 3.960 -0.003 0.000 0.266 626 G C -0.167 174.774 174.900 0.068 0.000 1.004 626 G CA -0.300 44.840 45.100 0.066 0.000 0.853 626 G HN 0.676 nan 8.290 nan 0.000 0.501 627 D N 1.943 122.380 120.400 0.061 0.000 2.362 627 D HA 0.059 4.697 4.640 -0.003 0.000 0.242 627 D C 0.297 176.635 176.300 0.065 0.000 1.132 627 D CA -0.120 53.916 54.000 0.060 0.000 0.907 627 D CB 1.153 41.983 40.800 0.051 0.000 1.195 627 D HN 0.308 nan 8.370 nan 0.000 0.429 628 N N 0.673 119.412 118.700 0.065 0.000 2.441 628 N HA -0.116 4.622 4.740 -0.003 0.000 0.251 628 N C 0.870 176.412 175.510 0.053 0.000 1.242 628 N CA -0.056 53.031 53.050 0.062 0.000 0.898 628 N CB 0.838 39.361 38.487 0.059 0.000 1.100 628 N HN 0.439 nan 8.380 nan 0.000 0.443 629 K N 0.995 121.425 120.400 0.048 0.000 2.044 629 K HA -0.189 4.129 4.320 -0.003 0.000 0.210 629 K C 1.799 178.413 176.600 0.023 0.000 1.049 629 K CA 1.665 57.973 56.287 0.035 0.000 0.927 629 K CB -1.094 31.419 32.500 0.022 0.000 0.713 629 K HN 0.557 nan 8.250 nan 0.000 0.443 630 G N 0.866 109.677 108.800 0.018 0.000 2.599 630 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.219 630 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.219 630 G C 1.526 176.442 174.900 0.026 0.000 1.193 630 G CA 1.811 46.918 45.100 0.012 0.000 0.778 630 G HN 0.443 nan 8.290 nan 0.000 0.589 631 T N 1.405 115.983 114.554 0.040 0.000 2.821 631 T HA 0.094 4.443 4.350 -0.003 0.000 0.267 631 T C 2.785 177.511 174.700 0.044 0.000 1.046 631 T CA 1.488 63.616 62.100 0.047 0.000 1.139 631 T CB -0.398 68.504 68.868 0.056 0.000 0.871 631 T HN 0.442 nan 8.240 nan 0.000 0.454 632 A N 1.586 124.433 122.820 0.045 0.000 1.873 632 A HA -0.122 4.197 4.320 -0.003 0.000 0.218 632 A C 2.235 179.858 177.584 0.065 0.000 1.193 632 A CA 1.598 53.663 52.037 0.047 0.000 0.629 632 A CB -0.899 18.132 19.000 0.050 0.000 0.826 632 A HN 0.537 nan 8.150 nan 0.000 0.447 633 I N -0.333 120.281 120.570 0.073 0.000 2.127 633 I HA -0.327 3.841 4.170 -0.003 0.000 0.241 633 I C 3.036 179.220 176.117 0.111 0.000 1.075 633 I CA 1.180 62.551 61.300 0.119 0.000 1.334 633 I CB -0.617 37.387 38.000 0.006 0.000 1.040 633 I HN 0.395 nan 8.210 nan 0.000 0.405 634 A N 1.402 124.256 122.820 0.056 0.000 1.884 634 A HA -0.248 4.070 4.320 -0.003 0.000 0.219 634 A C 2.289 179.901 177.584 0.046 0.000 1.197 634 A CA 2.063 54.128 52.037 0.046 0.000 0.637 634 A CB -1.083 17.940 19.000 0.039 0.000 0.827 634 A HN 0.417 nan 8.150 nan 0.000 0.450 635 I N -0.822 119.769 120.570 0.036 0.000 2.208 635 I HA -0.334 3.834 4.170 -0.003 0.000 0.245 635 I C 2.552 178.668 176.117 -0.002 0.000 1.097 635 I CA 1.222 62.529 61.300 0.011 0.000 1.363 635 I CB -0.514 37.487 38.000 0.002 0.000 1.051 635 I HN 0.410 nan 8.210 nan 0.000 0.413 636 C N 0.525 119.838 119.300 0.021 0.000 2.413 636 C HA -0.148 4.310 4.460 -0.003 0.000 0.277 636 C C 2.957 177.960 174.990 0.021 0.000 1.265 636 C CA 1.007 60.011 59.018 -0.024 0.000 1.752 636 C CB -1.230 26.522 27.740 0.020 0.000 1.998 636 C HN 0.413 nan 8.230 nan 0.000 0.489 637 R N -0.194 120.372 120.500 0.110 0.000 2.075 637 R HA -0.032 4.307 4.340 -0.003 0.000 0.226 637 R C 2.538 178.858 176.300 0.033 0.000 1.114 637 R CA 0.581 56.741 56.100 0.100 0.000 0.972 637 R CB -0.383 29.974 30.300 0.094 0.000 0.869 637 R HN 0.443 nan 8.270 nan 0.000 0.437 638 R N 1.685 122.194 120.500 0.015 0.000 2.159 638 R HA -0.131 4.208 4.340 -0.003 0.000 0.237 638 R C 1.957 178.244 176.300 -0.021 0.000 1.131 638 R CA 1.494 57.592 56.100 -0.003 0.000 0.982 638 R CB -0.073 30.222 30.300 -0.007 0.000 0.868 638 R HN 0.386 nan 8.270 nan 0.000 0.453 639 I N -5.402 115.144 120.570 -0.041 0.000 3.941 639 I HA 0.350 4.518 4.170 -0.003 0.000 0.321 639 I C 1.006 177.084 176.117 -0.066 0.000 1.284 639 I CA 0.736 61.997 61.300 -0.066 0.000 1.226 639 I CB 0.902 38.833 38.000 -0.115 0.000 1.045 639 I HN 0.166 nan 8.210 nan 0.000 0.420 640 G N 1.720 110.489 108.800 -0.053 0.000 2.184 640 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.206 640 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.206 640 G C 0.706 175.554 174.900 -0.088 0.000 0.995 640 G CA 0.218 45.292 45.100 -0.045 0.000 0.651 640 G HN 0.228 nan 8.290 nan 0.000 0.511 641 I N -0.074 120.388 120.570 -0.180 0.000 2.264 641 I HA 0.105 4.274 4.170 -0.003 0.000 0.248 641 I C 1.103 176.984 176.117 -0.394 0.000 1.111 641 I CA 1.361 62.447 61.300 -0.357 0.000 1.382 641 I CB -0.825 36.842 38.000 -0.554 0.000 1.060 641 I HN 0.148 nan 8.210 nan 0.000 0.418 642 F N -0.385 119.533 119.950 -0.055 0.000 2.598 642 F HA 0.631 5.156 4.527 -0.003 0.000 0.327 642 F C 0.880 176.656 175.800 -0.040 0.000 1.057 642 F CA -1.480 56.489 58.000 -0.051 0.000 0.957 642 F CB 1.075 40.039 39.000 -0.060 0.000 1.278 642 F HN -0.230 nan 8.300 nan 0.000 0.484 643 G N 0.403 109.319 108.800 0.194 0.000 2.356 643 G HA2 0.296 4.254 3.960 -0.003 0.000 0.298 643 G HA3 0.296 4.254 3.960 -0.003 0.000 0.298 643 G C 0.484 175.416 174.900 0.053 0.000 1.145 643 G CA -0.400 44.750 45.100 0.084 0.000 0.850 643 G HN 0.763 nan 8.290 nan 0.000 0.487 644 E N 1.624 121.844 120.200 0.033 0.000 2.236 644 E HA -0.213 4.135 4.350 -0.003 0.000 0.205 644 E C 0.678 177.274 176.600 -0.007 0.000 1.028 644 E CA 1.258 57.667 56.400 0.014 0.000 0.827 644 E CB 0.144 29.849 29.700 0.008 0.000 0.735 644 E HN 0.470 nan 8.360 nan 0.000 0.470 645 N N 0.516 119.208 118.700 -0.012 0.000 2.291 645 N HA 0.047 4.786 4.740 -0.003 0.000 0.244 645 N C -0.457 175.026 175.510 -0.046 0.000 1.216 645 N CA 0.020 53.052 53.050 -0.030 0.000 0.879 645 N CB 0.804 39.278 38.487 -0.022 0.000 1.167 645 N HN 0.195 nan 8.380 nan 0.000 0.515 646 E N 1.227 121.397 120.200 -0.049 0.000 2.366 646 E HA 0.039 4.387 4.350 -0.003 0.000 0.266 646 E C -0.434 176.071 176.600 -0.158 0.000 1.051 646 E CA -0.236 56.122 56.400 -0.070 0.000 0.884 646 E CB 0.937 30.628 29.700 -0.014 0.000 1.006 646 E HN -0.053 nan 8.360 nan 0.000 0.417 647 E N 2.707 122.820 120.200 -0.146 0.000 2.290 647 E HA 0.083 4.431 4.350 -0.003 0.000 0.277 647 E C -0.006 176.419 176.600 -0.292 0.000 1.035 647 E CA -0.003 56.287 56.400 -0.184 0.000 0.873 647 E CB 1.692 31.321 29.700 -0.118 0.000 1.029 647 E HN 0.339 nan 8.360 nan 0.000 0.419 648 V N 2.894 122.569 119.914 -0.398 0.000 3.572 648 V HA -0.006 4.112 4.120 -0.003 0.000 0.260 648 V C 1.898 177.758 176.094 -0.389 0.000 1.324 648 V CA 0.770 62.723 62.300 -0.577 0.000 1.068 648 V CB 0.118 31.325 31.823 -1.027 0.000 0.837 648 V HN 0.738 nan 8.190 nan 0.000 0.450 649 A N 2.073 124.722 122.820 -0.285 0.000 1.942 649 A HA -0.400 3.919 4.320 -0.003 0.000 0.227 649 A C 1.895 179.313 177.584 -0.278 0.000 1.445 649 A CA 2.821 54.718 52.037 -0.234 0.000 0.704 649 A CB -0.830 18.083 19.000 -0.146 0.000 0.841 649 A HN 0.762 nan 8.150 nan 0.000 0.495 650 D N -1.650 118.631 120.400 -0.197 0.000 2.349 650 D HA -0.024 4.615 4.640 -0.003 0.000 0.215 650 D C 1.551 177.768 176.300 -0.137 0.000 1.016 650 D CA 0.661 54.594 54.000 -0.113 0.000 0.870 650 D CB -0.247 40.556 40.800 0.004 0.000 0.917 650 D HN 0.602 nan 8.370 nan 0.000 0.524 651 R N -0.073 120.290 120.500 -0.228 0.000 2.397 651 R HA 0.412 4.751 4.340 -0.003 0.000 0.241 651 R C 0.295 176.504 176.300 -0.152 0.000 0.914 651 R CA 0.066 56.119 56.100 -0.077 0.000 1.071 651 R CB 1.209 31.569 30.300 0.101 0.000 1.116 651 R HN 0.076 nan 8.270 nan 0.000 0.524 652 A N 0.481 123.009 122.820 -0.486 0.000 2.374 652 A HA 0.696 5.015 4.320 -0.003 0.000 0.305 652 A C -1.539 175.619 177.584 -0.710 0.000 1.053 652 A CA -0.519 51.276 52.037 -0.405 0.000 0.726 652 A CB 0.873 19.764 19.000 -0.182 0.000 1.229 652 A HN 0.120 nan 8.150 nan 0.000 0.431 653 Y N -0.237 119.997 120.300 -0.111 0.000 2.524 653 Y HA 0.632 5.180 4.550 -0.003 0.000 0.347 653 Y C 0.601 176.587 175.900 0.144 0.000 1.005 653 Y CA -0.473 57.665 58.100 0.063 0.000 1.025 653 Y CB 2.532 41.116 38.460 0.206 0.000 1.275 653 Y HN 0.608 nan 8.280 nan 0.000 0.460 654 T N 0.575 115.308 114.554 0.298 0.000 2.902 654 T HA 0.361 4.709 4.350 -0.003 0.000 0.283 654 T C 1.282 176.096 174.700 0.189 0.000 1.009 654 T CA 0.189 62.409 62.100 0.201 0.000 1.051 654 T CB 1.039 69.990 68.868 0.138 0.000 0.999 654 T HN 0.931 nan 8.240 nan 0.000 0.474 655 G N 3.268 112.107 108.800 0.064 0.000 2.505 655 G HA2 -0.285 3.674 3.960 -0.003 0.000 0.220 655 G HA3 -0.285 3.674 3.960 -0.003 0.000 0.220 655 G C 1.603 176.562 174.900 0.098 0.000 1.145 655 G CA 1.195 46.229 45.100 -0.111 0.000 0.761 655 G HN 0.617 nan 8.290 nan 0.000 0.571 656 R N 0.936 121.521 120.500 0.143 0.000 2.070 656 R HA -0.012 4.327 4.340 -0.003 0.000 0.233 656 R C 2.506 178.904 176.300 0.162 0.000 1.137 656 R CA 1.992 58.182 56.100 0.151 0.000 0.945 656 R CB -0.931 29.439 30.300 0.117 0.000 0.845 656 R HN 0.563 nan 8.270 nan 0.000 0.430 657 E N -0.786 119.526 120.200 0.186 0.000 2.049 657 E HA -0.237 4.111 4.350 -0.003 0.000 0.198 657 E C 1.824 178.557 176.600 0.222 0.000 1.007 657 E CA 1.647 58.175 56.400 0.213 0.000 0.809 657 E CB -0.430 29.448 29.700 0.296 0.000 0.749 657 E HN 0.288 nan 8.360 nan 0.000 0.450 658 F N 2.225 122.229 119.950 0.090 0.000 2.154 658 F HA -0.258 4.268 4.527 -0.003 0.000 0.301 658 F C 1.701 177.527 175.800 0.043 0.000 1.087 658 F CA 1.703 59.709 58.000 0.011 0.000 1.274 658 F CB -0.060 38.917 39.000 -0.037 0.000 1.009 658 F HN -0.054 nan 8.300 nan 0.000 0.485 659 D N 0.116 120.604 120.400 0.147 0.000 2.117 659 D HA -0.161 4.477 4.640 -0.003 0.000 0.198 659 D C 1.756 178.045 176.300 -0.018 0.000 0.982 659 D CA 1.475 55.518 54.000 0.073 0.000 0.828 659 D CB -0.582 40.324 40.800 0.177 0.000 0.967 659 D HN 0.346 nan 8.370 nan 0.000 0.464 660 D N 0.383 120.793 120.400 0.016 0.000 2.389 660 D HA -0.072 4.567 4.640 -0.003 0.000 0.221 660 D C 0.760 177.034 176.300 -0.043 0.000 0.974 660 D CA 0.344 54.345 54.000 0.001 0.000 0.923 660 D CB 0.225 41.044 40.800 0.031 0.000 0.892 660 D HN 0.268 nan 8.370 nan 0.000 0.518 661 L N 1.725 122.881 121.223 -0.111 0.000 2.399 661 L HA 0.282 4.620 4.340 -0.003 0.000 0.266 661 L C -2.002 174.765 176.870 -0.172 0.000 1.114 661 L CA -1.760 52.985 54.840 -0.158 0.000 0.804 661 L CB 0.970 42.873 42.059 -0.259 0.000 1.146 661 L HN -0.209 nan 8.230 nan 0.000 0.451 662 P HA 0.190 nan 4.420 nan 0.000 0.286 662 P C 0.818 178.037 177.300 -0.135 0.000 1.261 662 P CA -0.608 62.429 63.100 -0.105 0.000 0.821 662 P CB 1.334 32.993 31.700 -0.068 0.000 1.013 663 L N 1.397 122.565 121.223 -0.091 0.000 2.198 663 L HA -0.347 3.992 4.340 -0.003 0.000 0.218 663 L C 2.352 179.146 176.870 -0.127 0.000 1.084 663 L CA 2.210 57.015 54.840 -0.059 0.000 0.779 663 L CB -1.332 40.737 42.059 0.016 0.000 0.890 663 L HN 0.442 nan 8.230 nan 0.000 0.439 664 A N 0.466 123.223 122.820 -0.106 0.000 1.819 664 A HA -0.238 4.081 4.320 -0.003 0.000 0.215 664 A C 2.206 179.706 177.584 -0.140 0.000 1.226 664 A CA 1.629 53.607 52.037 -0.099 0.000 0.608 664 A CB -0.688 18.278 19.000 -0.058 0.000 0.877 664 A HN 0.370 nan 8.150 nan 0.000 0.452 665 E N -0.106 120.020 120.200 -0.124 0.000 2.267 665 E HA -0.234 4.115 4.350 -0.003 0.000 0.197 665 E C 1.993 178.465 176.600 -0.212 0.000 0.998 665 E CA 1.711 58.038 56.400 -0.122 0.000 0.830 665 E CB -0.412 29.236 29.700 -0.087 0.000 0.751 665 E HN 0.691 nan 8.360 nan 0.000 0.491 666 Q N -0.133 119.471 119.800 -0.327 0.000 2.170 666 Q HA -0.169 4.169 4.340 -0.003 0.000 0.203 666 Q C 2.237 177.879 176.000 -0.597 0.000 0.976 666 Q CA 1.611 57.102 55.803 -0.519 0.000 0.858 666 Q CB -0.073 28.301 28.738 -0.606 0.000 0.907 666 Q HN 0.260 nan 8.270 nan 0.000 0.433 667 R N -0.352 119.728 120.500 -0.700 0.000 2.093 667 R HA -0.092 4.247 4.340 -0.003 0.000 0.224 667 R C 1.824 178.082 176.300 -0.069 0.000 1.101 667 R CA 0.951 56.618 56.100 -0.721 0.000 0.979 667 R CB 0.117 30.126 30.300 -0.485 0.000 0.877 667 R HN 0.181 nan 8.270 nan 0.000 0.441 668 E N 1.015 121.199 120.200 -0.027 0.000 2.017 668 E HA -0.179 4.169 4.350 -0.003 0.000 0.193 668 E C 1.945 178.584 176.600 0.065 0.000 0.997 668 E CA 1.518 57.958 56.400 0.067 0.000 0.804 668 E CB -0.545 29.171 29.700 0.026 0.000 0.757 668 E HN 0.432 nan 8.360 nan 0.000 0.448 669 A N 0.889 123.718 122.820 0.015 0.000 1.940 669 A HA -0.296 4.023 4.320 -0.003 0.000 0.221 669 A C 2.695 180.385 177.584 0.175 0.000 1.190 669 A CA 2.013 54.071 52.037 0.035 0.000 0.647 669 A CB -1.180 17.599 19.000 -0.369 0.000 0.821 669 A HN 0.407 nan 8.150 nan 0.000 0.457 670 C N -0.572 118.867 119.300 0.232 0.000 2.429 670 C HA -0.091 4.368 4.460 -0.003 0.000 0.277 670 C C 2.825 177.948 174.990 0.220 0.000 1.262 670 C CA 1.158 60.373 59.018 0.328 0.000 1.733 670 C CB -1.270 26.731 27.740 0.434 0.000 2.010 670 C HN 0.812 nan 8.230 nan 0.000 0.483 671 R N 1.731 122.300 120.500 0.116 0.000 2.235 671 R HA -0.075 4.264 4.340 -0.003 0.000 0.213 671 R C 1.927 178.189 176.300 -0.064 0.000 1.059 671 R CA 1.487 57.516 56.100 -0.118 0.000 0.997 671 R CB -0.436 29.448 30.300 -0.694 0.000 0.884 671 R HN 0.705 nan 8.270 nan 0.000 0.462 672 R N 0.363 120.874 120.500 0.018 0.000 2.287 672 R HA 0.355 4.694 4.340 -0.003 0.000 0.197 672 R C 0.495 176.838 176.300 0.072 0.000 0.900 672 R CA 0.277 56.400 56.100 0.038 0.000 1.052 672 R CB 0.159 30.491 30.300 0.053 0.000 1.117 672 R HN 0.082 nan 8.270 nan 0.000 0.568 673 A N 0.608 123.490 122.820 0.104 0.000 2.466 673 A HA 0.262 4.580 4.320 -0.003 0.000 0.238 673 A C 0.409 177.943 177.584 -0.084 0.000 1.074 673 A CA -0.108 51.940 52.037 0.018 0.000 0.774 673 A CB 0.399 19.354 19.000 -0.076 0.000 1.015 673 A HN 0.567 nan 8.150 nan 0.000 0.498 674 C N 0.002 119.218 119.300 -0.140 0.000 3.785 674 C HA 0.394 4.852 4.460 -0.003 0.000 0.312 674 C C 0.323 175.127 174.990 -0.311 0.000 1.566 674 C CA -0.216 58.657 59.018 -0.242 0.000 1.837 674 C CB -1.146 26.351 27.740 -0.406 0.000 2.826 674 C HN 0.892 nan 8.230 nan 0.000 0.667 675 C N 1.258 120.374 119.300 -0.306 0.000 2.701 675 C HA 0.756 5.214 4.460 -0.003 0.000 0.336 675 C C -1.885 172.877 174.990 -0.381 0.000 1.123 675 C CA -0.421 58.461 59.018 -0.227 0.000 1.326 675 C CB -0.087 27.652 27.740 -0.001 0.000 1.833 675 C HN 0.393 nan 8.230 nan 0.000 0.473 676 F N 4.760 124.718 119.950 0.014 0.000 2.496 676 F HA 0.591 5.116 4.527 -0.003 0.000 0.341 676 F C 0.874 176.672 175.800 -0.004 0.000 1.134 676 F CA 0.009 58.005 58.000 -0.006 0.000 0.968 676 F CB 1.631 40.584 39.000 -0.079 0.000 1.205 676 F HN 0.831 nan 8.300 nan 0.000 0.436 677 A N 4.353 127.282 122.820 0.182 0.000 1.819 677 A HA 0.062 4.381 4.320 -0.003 0.000 0.215 677 A C 1.071 178.719 177.584 0.107 0.000 1.226 677 A CA 0.939 53.046 52.037 0.117 0.000 0.608 677 A CB -0.072 18.984 19.000 0.094 0.000 0.877 677 A HN 0.667 nan 8.150 nan 0.000 0.452 678 R N -0.294 120.267 120.500 0.101 0.000 2.587 678 R HA 0.412 4.750 4.340 -0.003 0.000 0.283 678 R C -1.440 174.909 176.300 0.081 0.000 1.472 678 R CA -0.350 55.804 56.100 0.089 0.000 1.578 678 R CB 1.305 31.660 30.300 0.092 0.000 1.130 678 R HN 0.222 nan 8.270 nan 0.000 0.602 679 V N 3.074 123.027 119.914 0.066 0.000 2.485 679 V HA -0.034 4.084 4.120 -0.003 0.000 0.287 679 V C 0.843 177.070 176.094 0.222 0.000 1.022 679 V CA 0.505 62.855 62.300 0.083 0.000 1.067 679 V CB 0.429 32.254 31.823 0.002 0.000 0.967 679 V HN 0.552 nan 8.190 nan 0.000 0.479 680 E N 8.234 128.741 120.200 0.512 0.000 2.351 680 E HA 0.178 4.526 4.350 -0.003 0.000 0.255 680 E C -1.269 175.345 176.600 0.023 0.000 1.188 680 E CA -1.388 55.143 56.400 0.218 0.000 0.940 680 E CB 0.183 29.985 29.700 0.170 0.000 1.094 680 E HN 0.421 nan 8.360 nan 0.000 0.474 681 P HA -0.340 nan 4.420 nan 0.000 0.222 681 P C 1.219 178.436 177.300 -0.139 0.000 1.147 681 P CA 2.381 65.417 63.100 -0.106 0.000 0.958 681 P CB -0.103 31.528 31.700 -0.115 0.000 0.788 682 S N -2.699 112.863 115.700 -0.229 0.000 2.558 682 S HA -0.045 4.423 4.470 -0.003 0.000 0.217 682 S C 1.840 176.330 174.600 -0.183 0.000 0.975 682 S CA -0.142 57.939 58.200 -0.199 0.000 0.912 682 S CB -1.233 61.855 63.200 -0.187 0.000 0.776 682 S HN 0.168 nan 8.310 nan 0.000 0.526 683 H N 2.384 121.413 119.070 -0.069 0.000 2.390 683 H HA 0.014 4.569 4.556 -0.003 0.000 0.298 683 H C 1.863 177.057 175.328 -0.224 0.000 1.106 683 H CA 1.580 57.537 56.048 -0.152 0.000 1.297 683 H CB -0.167 29.449 29.762 -0.243 0.000 1.375 683 H HN 0.537 nan 8.280 nan 0.000 0.509 684 K N 0.043 120.405 120.400 -0.062 0.000 2.097 684 K HA -0.084 4.235 4.320 -0.003 0.000 0.206 684 K C 2.478 179.034 176.600 -0.075 0.000 1.049 684 K CA 1.111 57.347 56.287 -0.085 0.000 0.933 684 K CB -0.031 32.438 32.500 -0.051 0.000 0.717 684 K HN 0.016 nan 8.250 nan 0.000 0.442 685 S N 0.767 116.424 115.700 -0.072 0.000 2.406 685 S HA -0.059 4.409 4.470 -0.003 0.000 0.228 685 S C 1.641 176.178 174.600 -0.105 0.000 1.020 685 S CA 1.087 59.241 58.200 -0.076 0.000 0.965 685 S CB 0.131 63.286 63.200 -0.075 0.000 0.798 685 S HN 0.199 nan 8.310 nan 0.000 0.488 686 K N 0.681 121.021 120.400 -0.100 0.000 2.007 686 K HA 0.083 4.401 4.320 -0.003 0.000 0.206 686 K C 1.995 178.480 176.600 -0.191 0.000 1.047 686 K CA 1.339 57.526 56.287 -0.166 0.000 0.937 686 K CB -0.374 32.148 32.500 0.038 0.000 0.718 686 K HN 0.358 nan 8.250 nan 0.000 0.438 687 I N 1.281 121.820 120.570 -0.052 0.000 2.194 687 I HA -0.307 3.861 4.170 -0.003 0.000 0.246 687 I C 2.252 178.403 176.117 0.055 0.000 1.093 687 I CA 1.187 62.505 61.300 0.030 0.000 1.355 687 I CB -0.324 37.566 38.000 -0.183 0.000 1.046 687 I HN -0.053 nan 8.210 nan 0.000 0.413 688 V N 0.463 120.367 119.914 -0.017 0.000 2.490 688 V HA -0.254 3.864 4.120 -0.003 0.000 0.250 688 V C 2.324 178.409 176.094 -0.016 0.000 1.061 688 V CA 1.761 64.063 62.300 0.003 0.000 1.064 688 V CB -0.612 31.201 31.823 -0.017 0.000 0.670 688 V HN 0.444 nan 8.190 nan 0.000 0.461 689 E N -0.770 119.361 120.200 -0.115 0.000 2.047 689 E HA -0.210 4.139 4.350 -0.003 0.000 0.191 689 E C 2.240 178.792 176.600 -0.079 0.000 0.987 689 E CA 1.609 57.912 56.400 -0.162 0.000 0.799 689 E CB -0.218 29.286 29.700 -0.326 0.000 0.752 689 E HN 0.660 nan 8.360 nan 0.000 0.449 690 Y N 0.828 121.165 120.300 0.062 0.000 2.145 690 Y HA -0.164 4.385 4.550 -0.003 0.000 0.286 690 Y C 2.215 178.186 175.900 0.118 0.000 1.145 690 Y CA 0.809 58.950 58.100 0.068 0.000 1.148 690 Y CB -0.654 37.911 38.460 0.174 0.000 0.981 690 Y HN 0.023 nan 8.280 nan 0.000 0.507 691 L N -0.411 121.004 121.223 0.320 0.000 2.265 691 L HA -0.235 4.103 4.340 -0.003 0.000 0.215 691 L C 2.124 179.116 176.870 0.204 0.000 1.117 691 L CA 1.236 56.251 54.840 0.292 0.000 0.782 691 L CB -0.530 41.652 42.059 0.206 0.000 0.914 691 L HN 0.325 nan 8.230 nan 0.000 0.441 692 Q N -0.567 119.305 119.800 0.120 0.000 2.212 692 Q HA -0.095 4.243 4.340 -0.003 0.000 0.199 692 Q C 2.487 178.510 176.000 0.038 0.000 0.950 692 Q CA 1.357 57.199 55.803 0.066 0.000 0.863 692 Q CB 0.071 28.823 28.738 0.024 0.000 0.944 692 Q HN 0.593 nan 8.270 nan 0.000 0.465 693 S N -0.102 115.592 115.700 -0.011 0.000 2.399 693 S HA -0.156 4.313 4.470 -0.003 0.000 0.231 693 S C 1.172 175.686 174.600 -0.143 0.000 1.022 693 S CA 0.828 58.958 58.200 -0.117 0.000 0.983 693 S CB -0.369 62.702 63.200 -0.215 0.000 0.803 693 S HN 0.351 nan 8.310 nan 0.000 0.480 694 Y N 2.591 122.940 120.300 0.082 0.000 2.496 694 Y HA 0.261 4.809 4.550 -0.003 0.000 0.313 694 Y C 0.099 176.029 175.900 0.050 0.000 1.184 694 Y CA -1.151 56.987 58.100 0.064 0.000 1.275 694 Y CB -0.991 37.511 38.460 0.071 0.000 1.103 694 Y HN 0.181 nan 8.280 nan 0.000 0.513 695 D N 1.392 121.876 120.400 0.140 0.000 2.740 695 D HA -0.244 4.394 4.640 -0.003 0.000 0.231 695 D C -0.273 176.087 176.300 0.100 0.000 1.194 695 D CA 0.851 54.908 54.000 0.095 0.000 0.673 695 D CB -0.627 40.218 40.800 0.075 0.000 0.995 695 D HN 0.538 nan 8.370 nan 0.000 0.411 696 E N 0.188 120.456 120.200 0.113 0.000 2.171 696 E HA 0.317 4.666 4.350 -0.003 0.000 0.271 696 E C 0.488 177.127 176.600 0.065 0.000 0.916 696 E CA -0.968 55.488 56.400 0.093 0.000 0.774 696 E CB 1.497 31.270 29.700 0.122 0.000 1.128 696 E HN 0.054 nan 8.360 nan 0.000 0.403 697 I N 3.587 124.182 120.570 0.042 0.000 2.389 697 I HA 0.012 4.180 4.170 -0.003 0.000 0.295 697 I C 0.825 176.961 176.117 0.031 0.000 1.117 697 I CA 0.392 61.706 61.300 0.024 0.000 1.317 697 I CB -0.554 37.448 38.000 0.003 0.000 1.431 697 I HN 0.408 nan 8.210 nan 0.000 0.521 698 T N 4.078 118.655 114.554 0.038 0.000 2.902 698 T HA 0.784 5.132 4.350 -0.003 0.000 0.283 698 T C -0.299 174.421 174.700 0.032 0.000 1.009 698 T CA -0.665 61.462 62.100 0.044 0.000 1.051 698 T CB 1.837 70.743 68.868 0.063 0.000 0.999 698 T HN 0.629 nan 8.240 nan 0.000 0.474 699 A N 5.455 128.297 122.820 0.037 0.000 2.304 699 A HA 0.732 5.050 4.320 -0.003 0.000 0.314 699 A C -0.195 177.415 177.584 0.043 0.000 1.187 699 A CA -0.912 51.143 52.037 0.030 0.000 0.810 699 A CB 0.765 19.776 19.000 0.019 0.000 1.183 699 A HN 0.819 nan 8.150 nan 0.000 0.487 700 M N 1.778 121.398 119.600 0.034 0.000 2.598 700 M HA 0.559 5.037 4.480 -0.003 0.000 0.317 700 M C 0.312 176.634 176.300 0.036 0.000 1.201 700 M CA -0.095 55.227 55.300 0.037 0.000 0.971 700 M CB 1.945 34.557 32.600 0.021 0.000 1.657 700 M HN 0.890 nan 8.290 nan 0.000 0.470 701 T N -1.037 113.543 114.554 0.043 0.000 2.916 701 T HA 0.980 5.329 4.350 -0.003 0.000 0.292 701 T C -0.165 174.554 174.700 0.032 0.000 1.064 701 T CA -0.619 61.506 62.100 0.042 0.000 1.011 701 T CB 2.396 71.303 68.868 0.064 0.000 1.152 701 T HN 0.960 nan 8.240 nan 0.000 0.510 702 G N 0.036 108.852 108.800 0.028 0.000 2.328 702 G HA2 0.432 4.390 3.960 -0.003 0.000 0.299 702 G HA3 0.432 4.390 3.960 -0.003 0.000 0.299 702 G C -0.973 173.938 174.900 0.018 0.000 1.435 702 G CA -0.045 45.067 45.100 0.019 0.000 0.865 702 G HN 0.931 nan 8.290 nan 0.000 0.601 703 D N -1.071 119.337 120.400 0.013 0.000 2.497 703 D HA 0.238 4.876 4.640 -0.003 0.000 0.256 703 D C 0.831 177.137 176.300 0.010 0.000 1.273 703 D CA 0.711 54.721 54.000 0.016 0.000 0.812 703 D CB 0.718 41.532 40.800 0.022 0.000 1.190 703 D HN 0.906 nan 8.370 nan 0.000 0.524 704 G N 0.524 109.320 108.800 -0.006 0.000 2.601 704 G HA2 0.373 4.331 3.960 -0.003 0.000 0.317 704 G HA3 0.373 4.331 3.960 -0.003 0.000 0.317 704 G C 0.694 175.573 174.900 -0.035 0.000 1.246 704 G CA -0.218 44.866 45.100 -0.027 0.000 1.012 704 G HN -0.016 nan 8.290 nan 0.000 0.494 705 V N 0.312 120.186 119.914 -0.067 0.000 2.594 705 V HA -0.142 3.976 4.120 -0.003 0.000 0.253 705 V C 2.308 178.360 176.094 -0.070 0.000 1.069 705 V CA 2.023 64.284 62.300 -0.064 0.000 1.082 705 V CB -0.652 31.098 31.823 -0.121 0.000 0.680 705 V HN 0.618 nan 8.190 nan 0.000 0.469 706 N N 0.971 119.618 118.700 -0.088 0.000 2.137 706 N HA -0.149 4.589 4.740 -0.003 0.000 0.190 706 N C 1.268 176.742 175.510 -0.060 0.000 1.017 706 N CA 1.947 54.945 53.050 -0.087 0.000 0.859 706 N CB -0.334 38.098 38.487 -0.091 0.000 1.002 706 N HN 0.590 nan 8.380 nan 0.000 0.428 707 D N -0.266 120.109 120.400 -0.041 0.000 2.349 707 D HA 0.198 4.837 4.640 -0.003 0.000 0.214 707 D C 1.610 177.898 176.300 -0.020 0.000 1.063 707 D CA 0.035 54.018 54.000 -0.028 0.000 0.847 707 D CB 0.072 40.863 40.800 -0.015 0.000 0.933 707 D HN 0.114 nan 8.370 nan 0.000 0.513 708 A N 2.682 125.491 122.820 -0.018 0.000 1.873 708 A HA -0.148 4.170 4.320 -0.003 0.000 0.218 708 A C -0.102 177.474 177.584 -0.013 0.000 1.193 708 A CA 1.463 53.495 52.037 -0.008 0.000 0.629 708 A CB -1.587 17.413 19.000 0.000 0.000 0.826 708 A HN 0.186 nan 8.150 nan 0.000 0.447 709 P HA -0.233 nan 4.420 nan 0.000 0.216 709 P C 1.607 178.891 177.300 -0.026 0.000 1.154 709 P CA 2.306 65.391 63.100 -0.025 0.000 0.865 709 P CB -0.238 31.441 31.700 -0.035 0.000 0.789 710 A N 0.200 123.003 122.820 -0.029 0.000 1.873 710 A HA -0.115 4.203 4.320 -0.003 0.000 0.215 710 A C 2.493 180.069 177.584 -0.014 0.000 1.186 710 A CA 1.383 53.404 52.037 -0.026 0.000 0.616 710 A CB -1.571 17.412 19.000 -0.029 0.000 0.823 710 A HN 0.123 nan 8.150 nan 0.000 0.442 711 L N -0.900 120.318 121.223 -0.008 0.000 2.191 711 L HA -0.179 4.159 4.340 -0.003 0.000 0.212 711 L C 2.568 179.437 176.870 -0.002 0.000 1.103 711 L CA 1.829 56.669 54.840 -0.001 0.000 0.769 711 L CB -0.426 41.635 42.059 0.003 0.000 0.908 711 L HN 0.452 nan 8.230 nan 0.000 0.438 712 K N 0.751 121.148 120.400 -0.005 0.000 2.076 712 K HA -0.169 4.149 4.320 -0.003 0.000 0.204 712 K C 2.253 178.848 176.600 -0.007 0.000 1.051 712 K CA 0.950 57.234 56.287 -0.005 0.000 0.949 712 K CB 0.134 32.630 32.500 -0.005 0.000 0.726 712 K HN 0.054 nan 8.250 nan 0.000 0.443 713 K N 0.522 120.914 120.400 -0.013 0.000 2.148 713 K HA 0.013 4.331 4.320 -0.003 0.000 0.204 713 K C 0.226 176.820 176.600 -0.009 0.000 1.050 713 K CA 0.660 56.938 56.287 -0.016 0.000 0.942 713 K CB -0.090 32.394 32.500 -0.027 0.000 0.724 713 K HN 0.183 nan 8.250 nan 0.000 0.446 714 A N 1.376 124.193 122.820 -0.005 0.000 2.466 714 A HA -0.004 4.314 4.320 -0.003 0.000 0.238 714 A C 0.529 178.115 177.584 0.004 0.000 1.074 714 A CA -0.097 51.942 52.037 0.004 0.000 0.774 714 A CB 0.316 19.321 19.000 0.008 0.000 1.015 714 A HN 0.383 nan 8.150 nan 0.000 0.498 715 E N -0.008 120.196 120.200 0.007 0.000 2.153 715 E HA -0.053 4.295 4.350 -0.003 0.000 0.194 715 E C -0.371 176.229 176.600 0.000 0.000 0.988 715 E CA 1.330 57.732 56.400 0.002 0.000 0.811 715 E CB -0.122 29.579 29.700 0.002 0.000 0.746 715 E HN 0.541 nan 8.360 nan 0.000 0.466 716 I N -0.059 120.513 120.570 0.003 0.000 2.641 716 I HA 0.258 4.426 4.170 -0.003 0.000 0.275 716 I C 0.120 176.240 176.117 0.005 0.000 1.129 716 I CA -0.444 60.857 61.300 0.001 0.000 1.094 716 I CB 1.577 39.575 38.000 -0.004 0.000 1.232 716 I HN -0.133 nan 8.210 nan 0.000 0.503 717 G N 5.744 114.547 108.800 0.005 0.000 2.398 717 G HA2 0.531 4.489 3.960 -0.003 0.000 0.246 717 G HA3 0.531 4.489 3.960 -0.003 0.000 0.246 717 G C -0.214 174.691 174.900 0.009 0.000 1.289 717 G CA -0.097 45.008 45.100 0.008 0.000 0.869 717 G HN 0.474 nan 8.290 nan 0.000 0.543 718 I N 1.858 122.436 120.570 0.013 0.000 2.410 718 I HA 0.469 4.637 4.170 -0.003 0.000 0.286 718 I C 0.531 176.659 176.117 0.018 0.000 1.009 718 I CA -0.672 60.636 61.300 0.013 0.000 1.111 718 I CB 1.827 39.834 38.000 0.012 0.000 1.262 718 I HN 0.572 nan 8.210 nan 0.000 0.443 719 A N 7.443 130.273 122.820 0.017 0.000 2.281 719 A HA 0.857 5.176 4.320 -0.003 0.000 0.329 719 A C -0.221 177.377 177.584 0.023 0.000 1.122 719 A CA -0.698 51.351 52.037 0.021 0.000 0.850 719 A CB 1.007 20.019 19.000 0.020 0.000 1.207 719 A HN 0.594 nan 8.150 nan 0.000 0.495 720 M N 1.359 120.974 119.600 0.026 0.000 2.277 720 M HA 0.241 4.719 4.480 -0.003 0.000 0.350 720 M C 1.545 177.860 176.300 0.026 0.000 1.180 720 M CA -0.205 55.112 55.300 0.028 0.000 1.103 720 M CB 0.570 33.189 32.600 0.032 0.000 1.577 720 M HN 0.909 nan 8.290 nan 0.000 0.459 721 G N 1.252 110.067 108.800 0.024 0.000 2.450 721 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.220 721 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.220 721 G C 1.216 176.131 174.900 0.024 0.000 1.130 721 G CA 1.240 46.353 45.100 0.022 0.000 0.760 721 G HN 0.751 nan 8.290 nan 0.000 0.557 722 S N -0.112 115.604 115.700 0.027 0.000 2.575 722 S HA 0.436 4.905 4.470 -0.003 0.000 0.215 722 S C 1.289 175.908 174.600 0.031 0.000 0.966 722 S CA 0.208 58.425 58.200 0.029 0.000 0.911 722 S CB 0.364 63.582 63.200 0.031 0.000 0.780 722 S HN 0.463 nan 8.310 nan 0.000 0.514 723 G N 1.898 110.716 108.800 0.031 0.000 2.588 723 G HA2 0.436 4.394 3.960 -0.003 0.000 0.278 723 G HA3 0.436 4.394 3.960 -0.003 0.000 0.278 723 G C 0.235 175.159 174.900 0.040 0.000 1.307 723 G CA -0.067 45.052 45.100 0.033 0.000 1.016 723 G HN 0.479 nan 8.290 nan 0.000 0.503 724 T N -3.037 111.544 114.554 0.046 0.000 2.734 724 T HA 0.372 4.720 4.350 -0.003 0.000 0.314 724 T C 1.610 176.352 174.700 0.071 0.000 1.057 724 T CA 0.525 62.667 62.100 0.071 0.000 1.047 724 T CB 1.093 70.014 68.868 0.088 0.000 0.991 724 T HN 0.923 nan 8.240 nan 0.000 0.540 725 A N 0.684 123.558 122.820 0.090 0.000 2.016 725 A HA 0.187 4.505 4.320 -0.003 0.000 0.217 725 A C 2.348 179.971 177.584 0.065 0.000 1.162 725 A CA 0.825 52.896 52.037 0.057 0.000 0.662 725 A CB -0.772 18.244 19.000 0.027 0.000 0.812 725 A HN 0.697 nan 8.150 nan 0.000 0.450 726 V N -0.249 119.737 119.914 0.120 0.000 2.379 726 V HA -0.166 3.953 4.120 -0.003 0.000 0.245 726 V C 3.020 179.154 176.094 0.067 0.000 1.044 726 V CA 1.664 64.034 62.300 0.116 0.000 1.036 726 V CB -0.947 31.002 31.823 0.209 0.000 0.664 726 V HN 0.582 nan 8.190 nan 0.000 0.453 727 A N 0.075 122.930 122.820 0.057 0.000 1.865 727 A HA -0.264 4.055 4.320 -0.003 0.000 0.217 727 A C 2.259 179.860 177.584 0.029 0.000 1.191 727 A CA 2.142 54.199 52.037 0.034 0.000 0.623 727 A CB -0.502 18.515 19.000 0.028 0.000 0.826 727 A HN 0.524 nan 8.150 nan 0.000 0.444 728 K N -0.564 119.855 120.400 0.031 0.000 2.020 728 K HA -0.172 4.146 4.320 -0.003 0.000 0.212 728 K C 2.128 178.739 176.600 0.019 0.000 1.050 728 K CA 2.062 58.363 56.287 0.023 0.000 0.929 728 K CB -0.666 31.847 32.500 0.022 0.000 0.714 728 K HN 0.743 nan 8.250 nan 0.000 0.443 729 T N -1.140 113.426 114.554 0.020 0.000 2.977 729 T HA -0.016 4.332 4.350 -0.003 0.000 0.271 729 T C 1.853 176.562 174.700 0.014 0.000 1.105 729 T CA 0.989 63.098 62.100 0.014 0.000 1.116 729 T CB -0.081 68.794 68.868 0.012 0.000 0.878 729 T HN 0.211 nan 8.240 nan 0.000 0.509 730 A N 1.547 124.378 122.820 0.017 0.000 2.095 730 A HA 0.393 4.711 4.320 -0.003 0.000 0.212 730 A C 1.642 179.232 177.584 0.010 0.000 1.162 730 A CA 0.318 52.363 52.037 0.013 0.000 0.753 730 A CB -0.212 18.796 19.000 0.014 0.000 0.840 730 A HN 0.649 nan 8.150 nan 0.000 0.468 731 S N -0.724 114.982 115.700 0.011 0.000 2.672 731 S HA 0.465 4.933 4.470 -0.003 0.000 0.276 731 S C 0.231 174.836 174.600 0.008 0.000 1.207 731 S CA -0.254 57.952 58.200 0.009 0.000 1.002 731 S CB 1.328 64.534 63.200 0.011 0.000 0.998 731 S HN 0.178 nan 8.310 nan 0.000 0.542 732 E N 0.129 120.333 120.200 0.006 0.000 2.250 732 E HA 0.284 4.633 4.350 -0.003 0.000 0.192 732 E C 0.321 176.924 176.600 0.006 0.000 0.986 732 E CA 0.479 56.883 56.400 0.006 0.000 0.849 732 E CB 0.139 29.841 29.700 0.003 0.000 0.797 732 E HN 0.717 nan 8.360 nan 0.000 0.482 733 M N 0.179 119.781 119.600 0.004 0.000 2.550 733 M HA 0.454 4.932 4.480 -0.003 0.000 0.292 733 M C -1.745 174.558 176.300 0.005 0.000 1.221 733 M CA -0.894 54.408 55.300 0.003 0.000 0.873 733 M CB 2.040 34.637 32.600 -0.004 0.000 1.727 733 M HN -0.281 nan 8.290 nan 0.000 0.459 734 V N 4.896 124.814 119.914 0.005 0.000 2.483 734 V HA 0.389 4.508 4.120 -0.003 0.000 0.297 734 V C -0.497 175.601 176.094 0.006 0.000 1.027 734 V CA -0.693 61.613 62.300 0.009 0.000 0.855 734 V CB 1.816 33.646 31.823 0.012 0.000 0.995 734 V HN 0.788 nan 8.190 nan 0.000 0.424 735 L N 4.460 125.688 121.223 0.008 0.000 2.356 735 L HA 0.317 4.655 4.340 -0.003 0.000 0.282 735 L C 1.786 178.664 176.870 0.013 0.000 1.132 735 L CA -0.170 54.675 54.840 0.007 0.000 0.923 735 L CB 0.579 42.644 42.059 0.011 0.000 1.278 735 L HN 0.863 nan 8.230 nan 0.000 0.436 736 A N 3.046 125.873 122.820 0.011 0.000 1.940 736 A HA -0.250 4.068 4.320 -0.003 0.000 0.221 736 A C 1.719 179.313 177.584 0.017 0.000 1.190 736 A CA 2.303 54.348 52.037 0.013 0.000 0.647 736 A CB -0.321 18.686 19.000 0.010 0.000 0.821 736 A HN 0.871 nan 8.150 nan 0.000 0.457 737 D N -2.677 117.734 120.400 0.017 0.000 2.363 737 D HA 0.092 4.731 4.640 -0.003 0.000 0.214 737 D C -0.276 176.042 176.300 0.031 0.000 1.093 737 D CA 0.620 54.633 54.000 0.023 0.000 0.837 737 D CB -0.293 40.519 40.800 0.020 0.000 0.948 737 D HN 0.332 nan 8.370 nan 0.000 0.507 738 D N -0.119 120.300 120.400 0.031 0.000 3.070 738 D HA -0.200 4.438 4.640 -0.003 0.000 0.220 738 D C -0.263 176.072 176.300 0.058 0.000 1.176 738 D CA 0.659 54.684 54.000 0.042 0.000 0.924 738 D CB -1.594 39.232 40.800 0.044 0.000 1.124 738 D HN 0.354 nan 8.370 nan 0.000 0.411 739 N N -0.067 118.664 118.700 0.053 0.000 2.444 739 N HA 0.100 4.838 4.740 -0.003 0.000 0.271 739 N C 0.884 176.451 175.510 0.096 0.000 1.069 739 N CA -0.222 52.875 53.050 0.078 0.000 0.965 739 N CB 0.330 38.852 38.487 0.057 0.000 1.092 739 N HN -0.014 nan 8.380 nan 0.000 0.476 740 F N 3.945 123.898 119.950 0.005 0.000 2.087 740 F HA -0.311 4.214 4.527 -0.003 0.000 0.299 740 F C 2.377 178.178 175.800 0.002 0.000 1.100 740 F CA 2.312 60.314 58.000 0.003 0.000 1.226 740 F CB -0.439 38.560 39.000 -0.002 0.000 0.983 740 F HN 0.631 nan 8.300 nan 0.000 0.479 741 S N -1.085 114.643 115.700 0.047 0.000 2.407 741 S HA -0.279 4.190 4.470 -0.003 0.000 0.235 741 S C 1.924 176.433 174.600 -0.153 0.000 1.036 741 S CA 1.876 60.040 58.200 -0.061 0.000 1.013 741 S CB -1.528 61.705 63.200 0.055 0.000 0.820 741 S HN 0.528 nan 8.310 nan 0.000 0.476 742 T N 2.609 117.098 114.554 -0.107 0.000 2.788 742 T HA 0.099 4.447 4.350 -0.003 0.000 0.268 742 T C 1.677 176.288 174.700 -0.147 0.000 1.044 742 T CA 1.446 63.492 62.100 -0.091 0.000 1.139 742 T CB -0.493 68.348 68.868 -0.046 0.000 0.867 742 T HN 0.453 nan 8.240 nan 0.000 0.454 743 I N 0.669 121.091 120.570 -0.246 0.000 2.142 743 I HA -0.177 3.991 4.170 -0.003 0.000 0.240 743 I C 2.483 178.436 176.117 -0.274 0.000 1.078 743 I CA 1.064 62.203 61.300 -0.269 0.000 1.343 743 I CB -0.609 37.157 38.000 -0.390 0.000 1.046 743 I HN 0.084 nan 8.210 nan 0.000 0.405 744 V N 1.218 120.888 119.914 -0.406 0.000 2.255 744 V HA -0.347 3.771 4.120 -0.003 0.000 0.247 744 V C 2.788 178.799 176.094 -0.138 0.000 1.051 744 V CA 2.132 64.273 62.300 -0.264 0.000 1.018 744 V CB -1.194 30.475 31.823 -0.257 0.000 0.641 744 V HN 0.531 nan 8.190 nan 0.000 0.445 745 A N 0.071 122.821 122.820 -0.116 0.000 1.903 745 A HA -0.268 4.050 4.320 -0.003 0.000 0.219 745 A C 2.453 180.007 177.584 -0.050 0.000 1.191 745 A CA 2.774 54.775 52.037 -0.061 0.000 0.638 745 A CB -1.030 17.941 19.000 -0.047 0.000 0.823 745 A HN 0.648 nan 8.150 nan 0.000 0.451 746 A N -0.650 122.132 122.820 -0.063 0.000 1.873 746 A HA -0.093 4.225 4.320 -0.003 0.000 0.218 746 A C 2.225 179.787 177.584 -0.036 0.000 1.193 746 A CA 2.105 54.116 52.037 -0.043 0.000 0.629 746 A CB -1.271 17.698 19.000 -0.052 0.000 0.826 746 A HN 0.581 nan 8.150 nan 0.000 0.447 747 V N 0.091 119.972 119.914 -0.055 0.000 2.370 747 V HA -0.357 3.762 4.120 -0.003 0.000 0.252 747 V C 2.523 178.606 176.094 -0.019 0.000 1.068 747 V CA 2.645 64.921 62.300 -0.040 0.000 1.061 747 V CB -0.828 30.963 31.823 -0.053 0.000 0.656 747 V HN 0.786 nan 8.190 nan 0.000 0.455 748 E N -0.240 119.948 120.200 -0.019 0.000 2.017 748 E HA -0.232 4.116 4.350 -0.003 0.000 0.193 748 E C 2.335 178.944 176.600 0.016 0.000 0.997 748 E CA 1.249 57.649 56.400 -0.000 0.000 0.804 748 E CB -0.123 29.574 29.700 -0.004 0.000 0.757 748 E HN 0.508 nan 8.360 nan 0.000 0.448 749 E N -0.036 120.173 120.200 0.015 0.000 2.171 749 E HA -0.180 4.168 4.350 -0.003 0.000 0.197 749 E C 1.890 178.515 176.600 0.042 0.000 0.997 749 E CA 1.035 57.454 56.400 0.031 0.000 0.810 749 E CB -0.509 29.208 29.700 0.027 0.000 0.738 749 E HN 0.455 nan 8.360 nan 0.000 0.467 750 G N 1.346 110.164 108.800 0.029 0.000 2.511 750 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.216 750 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.216 750 G C 1.622 176.560 174.900 0.063 0.000 1.218 750 G CA 0.939 46.060 45.100 0.036 0.000 0.788 750 G HN 0.234 nan 8.290 nan 0.000 0.560 751 R N 0.584 121.114 120.500 0.049 0.000 2.139 751 R HA -0.093 4.245 4.340 -0.003 0.000 0.243 751 R C 2.916 179.273 176.300 0.095 0.000 1.145 751 R CA 1.231 57.375 56.100 0.073 0.000 0.976 751 R CB -0.349 29.978 30.300 0.045 0.000 0.866 751 R HN 0.393 nan 8.270 nan 0.000 0.449 752 A N 1.229 124.092 122.820 0.072 0.000 1.855 752 A HA -0.078 4.240 4.320 -0.003 0.000 0.213 752 A C 2.090 179.717 177.584 0.072 0.000 1.195 752 A CA 0.784 52.860 52.037 0.065 0.000 0.610 752 A CB -0.255 18.781 19.000 0.060 0.000 0.837 752 A HN 0.053 nan 8.150 nan 0.000 0.444 753 I N -1.206 119.417 120.570 0.089 0.000 2.118 753 I HA -0.280 3.888 4.170 -0.003 0.000 0.241 753 I C 2.457 178.618 176.117 0.073 0.000 1.070 753 I CA 1.993 63.350 61.300 0.096 0.000 1.327 753 I CB -1.469 36.596 38.000 0.108 0.000 1.034 753 I HN 0.542 nan 8.210 nan 0.000 0.405 754 Y N 2.359 122.640 120.300 -0.031 0.000 2.145 754 Y HA -0.265 4.283 4.550 -0.003 0.000 0.286 754 Y C 2.515 178.349 175.900 -0.109 0.000 1.145 754 Y CA 1.767 59.822 58.100 -0.076 0.000 1.148 754 Y CB -0.473 37.955 38.460 -0.053 0.000 0.981 754 Y HN 0.217 nan 8.280 nan 0.000 0.507 755 N N 0.685 119.341 118.700 -0.073 0.000 2.036 755 N HA -0.224 4.515 4.740 -0.003 0.000 0.195 755 N C 1.400 176.758 175.510 -0.254 0.000 1.037 755 N CA 1.798 54.752 53.050 -0.160 0.000 0.855 755 N CB -0.703 37.766 38.487 -0.030 0.000 1.033 755 N HN 0.422 nan 8.380 nan 0.000 0.423 756 N N 0.794 119.393 118.700 -0.168 0.000 2.084 756 N HA -0.131 4.607 4.740 -0.003 0.000 0.190 756 N C 1.787 177.041 175.510 -0.426 0.000 1.030 756 N CA 0.755 53.707 53.050 -0.164 0.000 0.849 756 N CB -0.486 37.989 38.487 -0.019 0.000 1.012 756 N HN 0.327 nan 8.380 nan 0.000 0.423 757 M N 1.004 120.266 119.600 -0.564 0.000 2.106 757 M HA -0.225 4.254 4.480 -0.003 0.000 0.259 757 M C 2.006 177.491 176.300 -1.358 0.000 1.068 757 M CA 1.679 56.254 55.300 -1.208 0.000 1.100 757 M CB 0.003 32.274 32.600 -0.548 0.000 1.351 757 M HN 0.038 nan 8.290 nan 0.000 0.404 758 K N -0.535 119.273 120.400 -0.986 0.000 2.063 758 K HA -0.219 4.100 4.320 -0.003 0.000 0.208 758 K C 1.968 178.268 176.600 -0.501 0.000 1.048 758 K CA 1.575 57.383 56.287 -0.797 0.000 0.928 758 K CB 0.003 32.039 32.500 -0.773 0.000 0.713 758 K HN 0.437 nan 8.250 nan 0.000 0.442 759 Q N 0.124 119.680 119.800 -0.407 0.000 2.016 759 Q HA -0.149 4.190 4.340 -0.003 0.000 0.200 759 Q C 2.089 178.030 176.000 -0.098 0.000 0.978 759 Q CA 1.557 57.246 55.803 -0.191 0.000 0.833 759 Q CB -0.630 28.038 28.738 -0.115 0.000 0.895 759 Q HN 0.512 nan 8.270 nan 0.000 0.427 760 F N -0.141 119.759 119.950 -0.083 0.000 2.307 760 F HA -0.070 4.456 4.527 -0.003 0.000 0.301 760 F C 1.867 177.650 175.800 -0.029 0.000 1.076 760 F CA 0.480 58.471 58.000 -0.015 0.000 1.383 760 F CB -1.001 37.961 39.000 -0.063 0.000 1.055 760 F HN -0.054 nan 8.300 nan 0.000 0.526 761 I N 0.617 121.176 120.570 -0.018 0.000 2.193 761 I HA -0.193 3.975 4.170 -0.003 0.000 0.240 761 I C 2.710 178.746 176.117 -0.135 0.000 1.084 761 I CA 1.160 62.440 61.300 -0.033 0.000 1.365 761 I CB -0.470 37.396 38.000 -0.225 0.000 1.064 761 I HN 0.015 nan 8.210 nan 0.000 0.410 762 R N -0.171 120.228 120.500 -0.168 0.000 2.103 762 R HA -0.263 4.075 4.340 -0.003 0.000 0.242 762 R C 2.391 178.491 176.300 -0.333 0.000 1.142 762 R CA 2.108 58.062 56.100 -0.243 0.000 0.960 762 R CB -0.778 29.476 30.300 -0.077 0.000 0.858 762 R HN 0.348 nan 8.270 nan 0.000 0.439 763 Y N 1.804 121.959 120.300 -0.242 0.000 2.030 763 Y HA -0.259 4.290 4.550 -0.003 0.000 0.274 763 Y C 1.937 177.705 175.900 -0.220 0.000 1.153 763 Y CA 1.618 59.598 58.100 -0.200 0.000 1.115 763 Y CB -0.699 37.720 38.460 -0.069 0.000 0.969 763 Y HN -0.071 nan 8.280 nan 0.000 0.488 764 L N -0.276 120.703 121.223 -0.407 0.000 1.970 764 L HA -0.281 4.058 4.340 -0.003 0.000 0.212 764 L C 2.603 179.240 176.870 -0.389 0.000 1.071 764 L CA 1.417 55.959 54.840 -0.496 0.000 0.751 764 L CB -0.822 41.076 42.059 -0.268 0.000 0.889 764 L HN 0.295 nan 8.230 nan 0.000 0.432 765 I N 0.336 120.695 120.570 -0.352 0.000 2.194 765 I HA -0.326 3.842 4.170 -0.003 0.000 0.246 765 I C 2.886 178.789 176.117 -0.358 0.000 1.093 765 I CA 2.144 63.222 61.300 -0.371 0.000 1.355 765 I CB -1.014 36.695 38.000 -0.485 0.000 1.046 765 I HN 0.460 nan 8.210 nan 0.000 0.413 766 S N 0.802 116.205 115.700 -0.495 0.000 2.368 766 S HA -0.173 4.296 4.470 -0.003 0.000 0.224 766 S C 2.254 176.684 174.600 -0.283 0.000 1.029 766 S CA 1.448 59.358 58.200 -0.483 0.000 0.988 766 S CB -0.782 61.895 63.200 -0.872 0.000 0.838 766 S HN 0.584 nan 8.310 nan 0.000 0.462 767 S N 3.326 118.840 115.700 -0.310 0.000 2.359 767 S HA -0.257 4.211 4.470 -0.003 0.000 0.223 767 S C 1.736 176.239 174.600 -0.161 0.000 1.039 767 S CA 1.715 59.778 58.200 -0.230 0.000 1.042 767 S CB -1.455 61.546 63.200 -0.331 0.000 0.915 767 S HN 0.609 nan 8.310 nan 0.000 0.439 768 N N 1.338 119.937 118.700 -0.168 0.000 2.184 768 N HA -0.080 4.659 4.740 -0.003 0.000 0.190 768 N C 1.599 177.071 175.510 -0.062 0.000 1.011 768 N CA 1.413 54.409 53.050 -0.091 0.000 0.867 768 N CB -0.631 37.824 38.487 -0.054 0.000 0.993 768 N HN 0.348 nan 8.380 nan 0.000 0.433 769 V N -0.052 119.809 119.914 -0.088 0.000 2.295 769 V HA -0.176 3.943 4.120 -0.003 0.000 0.246 769 V C 2.326 178.389 176.094 -0.052 0.000 1.049 769 V CA 2.150 64.406 62.300 -0.074 0.000 1.024 769 V CB -1.194 30.559 31.823 -0.117 0.000 0.648 769 V HN 0.462 nan 8.190 nan 0.000 0.447 770 G N -0.750 108.019 108.800 -0.053 0.000 2.394 770 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.215 770 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.215 770 G C 1.416 176.310 174.900 -0.011 0.000 1.165 770 G CA 0.662 45.749 45.100 -0.023 0.000 0.784 770 G HN 0.563 nan 8.290 nan 0.000 0.535 771 E N 0.152 120.337 120.200 -0.024 0.000 2.097 771 E HA -0.150 4.199 4.350 -0.003 0.000 0.196 771 E C 2.689 179.297 176.600 0.013 0.000 1.000 771 E CA 1.261 57.654 56.400 -0.011 0.000 0.804 771 E CB -0.250 29.437 29.700 -0.022 0.000 0.740 771 E HN 0.314 nan 8.360 nan 0.000 0.454 772 V N 1.118 121.039 119.914 0.012 0.000 2.295 772 V HA -0.232 3.886 4.120 -0.003 0.000 0.246 772 V C 2.428 178.573 176.094 0.085 0.000 1.049 772 V CA 1.380 63.702 62.300 0.036 0.000 1.024 772 V CB -0.388 31.442 31.823 0.012 0.000 0.648 772 V HN 0.129 nan 8.190 nan 0.000 0.447 773 V N -0.673 119.284 119.914 0.071 0.000 2.380 773 V HA -0.356 3.763 4.120 -0.003 0.000 0.251 773 V C 2.577 178.767 176.094 0.159 0.000 1.063 773 V CA 2.241 64.623 62.300 0.136 0.000 1.055 773 V CB -0.914 30.958 31.823 0.080 0.000 0.657 773 V HN 0.811 nan 8.190 nan 0.000 0.455 774 C N 0.352 119.702 119.300 0.084 0.000 2.413 774 C HA -0.172 4.286 4.460 -0.003 0.000 0.277 774 C C 2.570 177.602 174.990 0.070 0.000 1.228 774 C CA 1.100 60.153 59.018 0.058 0.000 1.731 774 C CB -1.006 26.752 27.740 0.029 0.000 2.042 774 C HN 0.530 nan 8.230 nan 0.000 0.468 775 I N 0.704 121.321 120.570 0.079 0.000 2.361 775 I HA -0.082 4.086 4.170 -0.003 0.000 0.251 775 I C 2.259 178.445 176.117 0.114 0.000 1.133 775 I CA 1.513 62.857 61.300 0.074 0.000 1.413 775 I CB -1.785 36.254 38.000 0.065 0.000 1.073 775 I HN 0.431 nan 8.210 nan 0.000 0.424 776 F N 1.960 121.921 119.950 0.019 0.000 2.060 776 F HA -0.146 4.380 4.527 -0.003 0.000 0.295 776 F C 2.355 178.184 175.800 0.048 0.000 1.120 776 F CA 1.559 59.577 58.000 0.030 0.000 1.205 776 F CB -0.648 38.367 39.000 0.025 0.000 0.986 776 F HN -0.110 nan 8.300 nan 0.000 0.470 777 L N -0.338 120.791 121.223 -0.157 0.000 2.012 777 L HA -0.278 4.061 4.340 -0.003 0.000 0.210 777 L C 2.571 179.353 176.870 -0.146 0.000 1.073 777 L CA 2.078 56.776 54.840 -0.236 0.000 0.748 777 L CB -1.408 40.633 42.059 -0.030 0.000 0.891 777 L HN 0.245 nan 8.230 nan 0.000 0.431 778 T N -0.883 113.644 114.554 -0.045 0.000 2.802 778 T HA -0.243 4.105 4.350 -0.003 0.000 0.269 778 T C 1.591 176.319 174.700 0.046 0.000 1.062 778 T CA 1.631 63.735 62.100 0.006 0.000 1.133 778 T CB 0.029 68.912 68.868 0.024 0.000 0.852 778 T HN 0.506 nan 8.240 nan 0.000 0.485 779 A N -0.017 122.794 122.820 -0.014 0.000 1.942 779 A HA 0.622 4.940 4.320 -0.003 0.000 0.209 779 A C 2.606 180.193 177.584 0.005 0.000 1.214 779 A CA 1.080 53.160 52.037 0.072 0.000 0.686 779 A CB -1.005 18.012 19.000 0.028 0.000 0.871 779 A HN 0.511 nan 8.150 nan 0.000 0.460 780 A N 0.144 122.801 122.820 -0.271 0.000 1.940 780 A HA -0.081 4.238 4.320 -0.003 0.000 0.219 780 A C 2.072 179.587 177.584 -0.115 0.000 1.176 780 A CA 1.660 53.505 52.037 -0.320 0.000 0.631 780 A CB -0.581 17.957 19.000 -0.770 0.000 0.814 780 A HN 0.470 nan 8.150 nan 0.000 0.446 781 L N -2.486 118.691 121.223 -0.076 0.000 2.249 781 L HA 0.206 4.544 4.340 -0.003 0.000 0.207 781 L C 1.997 178.877 176.870 0.017 0.000 1.090 781 L CA 0.740 55.577 54.840 -0.005 0.000 0.802 781 L CB -0.336 41.729 42.059 0.010 0.000 0.947 781 L HN 0.582 nan 8.230 nan 0.000 0.453 782 G N 0.268 109.116 108.800 0.081 0.000 2.194 782 G HA2 -0.265 3.694 3.960 -0.003 0.000 0.236 782 G HA3 -0.265 3.694 3.960 -0.003 0.000 0.236 782 G C 0.103 175.113 174.900 0.183 0.000 0.987 782 G CA 0.012 45.187 45.100 0.126 0.000 0.635 782 G HN 0.132 nan 8.290 nan 0.000 0.520 783 L N 2.166 123.435 121.223 0.076 0.000 2.516 783 L HA 0.464 4.802 4.340 -0.003 0.000 0.288 783 L C -1.550 175.294 176.870 -0.044 0.000 1.246 783 L CA -0.653 54.162 54.840 -0.042 0.000 0.844 783 L CB 0.069 42.075 42.059 -0.089 0.000 1.106 783 L HN 0.024 nan 8.230 nan 0.000 0.509 784 P HA 0.036 nan 4.420 nan 0.000 0.269 784 P C -1.172 176.037 177.300 -0.152 0.000 1.209 784 P CA -0.191 62.505 63.100 -0.673 0.000 0.776 784 P CB 0.261 31.334 31.700 -1.045 0.000 0.876 785 E N 1.275 121.464 120.200 -0.018 0.000 2.820 785 E HA -0.083 4.265 4.350 -0.003 0.000 0.251 785 E C 0.867 177.477 176.600 0.017 0.000 0.944 785 E CA 0.107 56.522 56.400 0.025 0.000 0.955 785 E CB 0.228 29.952 29.700 0.041 0.000 0.904 785 E HN 0.425 nan 8.360 nan 0.000 0.513 786 A N 4.810 127.646 122.820 0.026 0.000 1.975 786 A HA 0.085 4.403 4.320 -0.003 0.000 0.215 786 A C 0.651 178.249 177.584 0.023 0.000 1.170 786 A CA 0.674 52.732 52.037 0.035 0.000 0.656 786 A CB 0.339 19.362 19.000 0.038 0.000 0.821 786 A HN 0.496 nan 8.150 nan 0.000 0.449 787 L N -0.045 121.192 121.223 0.024 0.000 2.434 787 L HA 0.495 4.834 4.340 -0.003 0.000 0.260 787 L C -1.340 175.552 176.870 0.036 0.000 0.983 787 L CA -0.726 54.132 54.840 0.029 0.000 0.820 787 L CB 2.307 44.383 42.059 0.028 0.000 1.361 787 L HN 0.004 nan 8.230 nan 0.000 0.410 788 I N 2.444 123.046 120.570 0.053 0.000 2.493 788 I HA 0.340 4.509 4.170 -0.003 0.000 0.298 788 I C -1.587 174.581 176.117 0.085 0.000 0.998 788 I CA -2.478 58.855 61.300 0.055 0.000 1.137 788 I CB 1.718 39.739 38.000 0.036 0.000 1.310 788 I HN 0.295 nan 8.210 nan 0.000 0.445 789 P HA -0.219 nan 4.420 nan 0.000 0.219 789 P C 1.720 179.101 177.300 0.136 0.000 1.158 789 P CA 1.626 64.772 63.100 0.078 0.000 0.895 789 P CB 0.190 31.923 31.700 0.054 0.000 0.792 790 V N -0.830 119.181 119.914 0.161 0.000 2.255 790 V HA -0.323 3.795 4.120 -0.003 0.000 0.247 790 V C 2.369 178.794 176.094 0.552 0.000 1.051 790 V CA 2.040 64.526 62.300 0.309 0.000 1.018 790 V CB -1.911 29.973 31.823 0.100 0.000 0.641 790 V HN 0.179 nan 8.190 nan 0.000 0.445 791 Q N 0.508 120.628 119.800 0.533 0.000 2.002 791 Q HA -0.168 4.170 4.340 -0.003 0.000 0.204 791 Q C 2.376 178.521 176.000 0.241 0.000 0.988 791 Q CA 2.084 58.127 55.803 0.400 0.000 0.843 791 Q CB -0.570 28.330 28.738 0.270 0.000 0.908 791 Q HN 0.537 nan 8.270 nan 0.000 0.420 792 L N 0.599 121.920 121.223 0.163 0.000 2.010 792 L HA -0.296 4.042 4.340 -0.003 0.000 0.219 792 L C 2.544 179.470 176.870 0.093 0.000 1.077 792 L CA 1.337 56.234 54.840 0.094 0.000 0.773 792 L CB -0.800 41.296 42.059 0.061 0.000 0.892 792 L HN 0.278 nan 8.230 nan 0.000 0.436 793 L N -1.081 120.217 121.223 0.126 0.000 1.978 793 L HA -0.331 4.008 4.340 -0.003 0.000 0.218 793 L C 2.552 179.482 176.870 0.100 0.000 1.075 793 L CA 2.048 56.950 54.840 0.103 0.000 0.767 793 L CB -0.769 41.377 42.059 0.144 0.000 0.890 793 L HN 0.565 nan 8.230 nan 0.000 0.434 794 W N 0.549 121.843 121.300 -0.011 0.000 2.304 794 W HA -0.261 4.398 4.660 -0.003 0.000 0.315 794 W C 2.195 178.666 176.519 -0.080 0.000 1.233 794 W CA 2.247 59.541 57.345 -0.085 0.000 1.261 794 W CB -0.507 28.806 29.460 -0.245 0.000 1.150 794 W HN -0.011 nan 8.180 nan 0.000 0.494 795 V N 2.380 122.333 119.914 0.065 0.000 2.219 795 V HA -0.418 3.700 4.120 -0.003 0.000 0.248 795 V C 2.273 178.276 176.094 -0.152 0.000 1.053 795 V CA 2.615 64.889 62.300 -0.043 0.000 1.009 795 V CB -1.307 30.525 31.823 0.015 0.000 0.636 795 V HN 0.173 nan 8.190 nan 0.000 0.445 796 N N -0.139 118.492 118.700 -0.115 0.000 2.348 796 N HA -0.089 4.649 4.740 -0.003 0.000 0.185 796 N C 1.569 176.972 175.510 -0.179 0.000 1.019 796 N CA 1.215 54.179 53.050 -0.143 0.000 0.880 796 N CB -0.209 38.216 38.487 -0.103 0.000 0.965 796 N HN 0.458 nan 8.380 nan 0.000 0.437 797 L N -0.782 120.308 121.223 -0.222 0.000 2.388 797 L HA 0.119 4.457 4.340 -0.003 0.000 0.209 797 L C 1.654 178.309 176.870 -0.357 0.000 1.061 797 L CA 0.301 54.989 54.840 -0.254 0.000 0.834 797 L CB 0.165 42.089 42.059 -0.225 0.000 1.029 797 L HN -0.081 nan 8.230 nan 0.000 0.473 798 V N -1.326 118.255 119.914 -0.556 0.000 2.988 798 V HA -0.096 4.022 4.120 -0.003 0.000 0.223 798 V C 2.510 178.344 176.094 -0.434 0.000 1.144 798 V CA 1.335 63.234 62.300 -0.669 0.000 1.242 798 V CB -0.700 30.275 31.823 -1.413 0.000 1.073 798 V HN 0.430 nan 8.190 nan 0.000 0.508 799 T N -0.634 113.660 114.554 -0.434 0.000 2.685 799 T HA -0.306 4.042 4.350 -0.003 0.000 0.268 799 T C 1.283 175.950 174.700 -0.056 0.000 1.034 799 T CA 2.521 64.552 62.100 -0.115 0.000 1.149 799 T CB -0.548 68.333 68.868 0.022 0.000 0.860 799 T HN 0.419 nan 8.240 nan 0.000 0.449 800 D N 0.777 121.121 120.400 -0.093 0.000 2.346 800 D HA 0.274 4.912 4.640 -0.003 0.000 0.206 800 D C 2.267 178.554 176.300 -0.022 0.000 1.001 800 D CA 0.683 54.671 54.000 -0.021 0.000 0.871 800 D CB -0.531 40.182 40.800 -0.145 0.000 0.943 800 D HN 0.525 nan 8.370 nan 0.000 0.518 801 G N 0.806 109.528 108.800 -0.131 0.000 2.453 801 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.215 801 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.215 801 G C 1.572 176.387 174.900 -0.141 0.000 1.201 801 G CA 0.455 45.458 45.100 -0.162 0.000 0.784 801 G HN 0.225 nan 8.290 nan 0.000 0.545 802 L N 1.518 122.667 121.223 -0.123 0.000 2.013 802 L HA -0.090 4.249 4.340 -0.003 0.000 0.212 802 L C 0.347 177.171 176.870 -0.076 0.000 1.073 802 L CA 1.716 56.498 54.840 -0.098 0.000 0.753 802 L CB -1.321 40.703 42.059 -0.059 0.000 0.890 802 L HN 0.257 nan 8.230 nan 0.000 0.432 803 P HA -0.132 nan 4.420 nan 0.000 0.221 803 P C 1.368 178.603 177.300 -0.109 0.000 1.150 803 P CA 1.776 64.844 63.100 -0.053 0.000 0.800 803 P CB 0.115 31.796 31.700 -0.032 0.000 0.787 804 A N 0.805 123.621 122.820 -0.006 0.000 1.858 804 A HA -0.166 4.152 4.320 -0.003 0.000 0.216 804 A C 2.439 179.839 177.584 -0.307 0.000 1.190 804 A CA 2.768 54.788 52.037 -0.028 0.000 0.617 804 A CB -2.045 16.947 19.000 -0.015 0.000 0.827 804 A HN 0.340 nan 8.150 nan 0.000 0.443 805 T N -1.748 112.565 114.554 -0.401 0.000 3.098 805 T HA 0.227 4.575 4.350 -0.003 0.000 0.266 805 T C 1.534 175.853 174.700 -0.635 0.000 1.145 805 T CA 1.548 63.322 62.100 -0.543 0.000 1.092 805 T CB -0.318 68.295 68.868 -0.424 0.000 0.908 805 T HN 0.494 nan 8.240 nan 0.000 0.526 806 A N 1.006 123.590 122.820 -0.393 0.000 1.943 806 A HA 0.390 4.708 4.320 -0.003 0.000 0.213 806 A C 2.229 179.659 177.584 -0.256 0.000 1.181 806 A CA 0.427 52.283 52.037 -0.302 0.000 0.653 806 A CB -0.543 18.447 19.000 -0.016 0.000 0.833 806 A HN 0.538 nan 8.150 nan 0.000 0.451 807 L N -0.039 121.081 121.223 -0.172 0.000 2.349 807 L HA -0.131 4.207 4.340 -0.003 0.000 0.220 807 L C 2.549 179.396 176.870 -0.039 0.000 1.130 807 L CA 0.722 55.523 54.840 -0.066 0.000 0.791 807 L CB -0.506 41.535 42.059 -0.030 0.000 0.918 807 L HN 0.495 nan 8.230 nan 0.000 0.444 808 G N -0.291 108.386 108.800 -0.206 0.000 2.470 808 G HA2 -0.230 3.729 3.960 -0.003 0.000 0.220 808 G HA3 -0.230 3.729 3.960 -0.003 0.000 0.220 808 G C 0.939 175.777 174.900 -0.103 0.000 1.121 808 G CA 0.245 45.244 45.100 -0.168 0.000 0.766 808 G HN 0.316 nan 8.290 nan 0.000 0.553 809 F N 0.764 120.787 119.950 0.121 0.000 2.641 809 F HA 0.347 4.872 4.527 -0.003 0.000 0.302 809 F C 0.629 176.517 175.800 0.145 0.000 1.098 809 F CA -1.927 56.164 58.000 0.152 0.000 1.318 809 F CB -0.940 38.212 39.000 0.253 0.000 1.035 809 F HN -0.139 nan 8.300 nan 0.000 0.551 810 N N 3.622 122.445 118.700 0.204 0.000 2.294 810 N HA -0.021 4.717 4.740 -0.003 0.000 0.248 810 N C -2.296 173.287 175.510 0.122 0.000 1.242 810 N CA -0.811 52.312 53.050 0.121 0.000 0.848 810 N CB 0.042 38.557 38.487 0.047 0.000 1.084 810 N HN 0.042 nan 8.380 nan 0.000 0.457 811 P HA 0.191 nan 4.420 nan 0.000 0.271 811 P C -2.539 174.792 177.300 0.052 0.000 1.218 811 P CA -0.906 62.237 63.100 0.071 0.000 0.780 811 P CB -0.056 31.671 31.700 0.045 0.000 0.901 812 P HA 0.200 nan 4.420 nan 0.000 0.275 812 P C -0.124 177.192 177.300 0.027 0.000 1.227 812 P CA 0.041 63.166 63.100 0.040 0.000 0.781 812 P CB 0.271 31.997 31.700 0.044 0.000 0.906 813 D N 0.740 121.153 120.400 0.022 0.000 2.352 813 D HA 0.032 4.671 4.640 -0.003 0.000 0.238 813 D C 1.311 177.622 176.300 0.018 0.000 1.286 813 D CA 0.090 54.100 54.000 0.016 0.000 0.923 813 D CB 0.491 41.300 40.800 0.015 0.000 1.146 813 D HN 0.275 nan 8.370 nan 0.000 0.471 814 L N 0.207 121.439 121.223 0.015 0.000 2.513 814 L HA 0.038 4.376 4.340 -0.003 0.000 0.222 814 L C 1.102 177.980 176.870 0.014 0.000 1.096 814 L CA 0.323 55.172 54.840 0.014 0.000 0.857 814 L CB 0.011 42.077 42.059 0.012 0.000 1.026 814 L HN 0.349 nan 8.230 nan 0.000 0.469 815 D N 0.051 120.460 120.400 0.014 0.000 2.427 815 D HA 0.033 4.671 4.640 -0.003 0.000 0.224 815 D C 1.600 177.910 176.300 0.017 0.000 1.157 815 D CA -0.103 53.906 54.000 0.014 0.000 0.828 815 D CB -0.144 40.663 40.800 0.012 0.000 0.974 815 D HN 0.316 nan 8.370 nan 0.000 0.498 816 I N -0.620 119.961 120.570 0.019 0.000 2.236 816 I HA -0.251 3.917 4.170 -0.003 0.000 0.249 816 I C 1.811 177.940 176.117 0.020 0.000 1.102 816 I CA 1.041 62.355 61.300 0.023 0.000 1.365 816 I CB -0.529 37.487 38.000 0.026 0.000 1.051 816 I HN -0.009 nan 8.210 nan 0.000 0.420 817 M N 0.113 119.722 119.600 0.017 0.000 2.493 817 M HA 0.084 4.563 4.480 -0.003 0.000 0.244 817 M C 0.451 176.760 176.300 0.014 0.000 1.182 817 M CA 0.705 56.013 55.300 0.014 0.000 0.981 817 M CB -0.530 32.077 32.600 0.012 0.000 1.551 817 M HN 0.247 nan 8.290 nan 0.000 0.476 818 D N -0.003 120.405 120.400 0.014 0.000 2.441 818 D HA 0.151 4.789 4.640 -0.003 0.000 0.210 818 D C 0.441 176.749 176.300 0.013 0.000 1.102 818 D CA 0.154 54.161 54.000 0.013 0.000 0.840 818 D CB 1.254 42.061 40.800 0.011 0.000 0.990 818 D HN 0.278 nan 8.370 nan 0.000 0.505 819 R N 1.802 122.311 120.500 0.015 0.000 2.474 819 R HA 0.328 4.666 4.340 -0.003 0.000 0.295 819 R C -2.309 174.001 176.300 0.016 0.000 0.980 819 R CA -1.547 54.563 56.100 0.017 0.000 0.934 819 R CB 1.606 31.918 30.300 0.021 0.000 1.101 819 R HN -0.066 nan 8.270 nan 0.000 0.469 820 P HA 0.015 nan 4.420 nan 0.000 0.270 820 P C -2.491 174.818 177.300 0.014 0.000 1.227 820 P CA -0.940 62.169 63.100 0.014 0.000 0.788 820 P CB -0.203 31.505 31.700 0.014 0.000 0.926 821 P HA 0.098 nan 4.420 nan 0.000 0.268 821 P C 0.192 177.493 177.300 0.003 0.000 1.205 821 P CA 0.035 63.137 63.100 0.004 0.000 0.771 821 P CB 0.527 32.227 31.700 0.000 0.000 0.858 822 R N 2.306 122.804 120.500 -0.004 0.000 2.585 822 R HA 0.089 4.428 4.340 -0.003 0.000 0.275 822 R C 0.315 176.607 176.300 -0.015 0.000 1.018 822 R CA 0.001 56.100 56.100 -0.002 0.000 1.072 822 R CB 0.150 30.444 30.300 -0.010 0.000 0.953 822 R HN 0.468 nan 8.270 nan 0.000 0.419 823 S N 4.306 120.008 115.700 0.004 0.000 2.531 823 S HA 0.166 4.634 4.470 -0.003 0.000 0.279 823 S C -1.662 172.932 174.600 -0.010 0.000 1.305 823 S CA -1.542 56.661 58.200 0.005 0.000 1.058 823 S CB 1.196 64.408 63.200 0.021 0.000 0.899 823 S HN 0.563 nan 8.310 nan 0.000 0.493 824 P HA -0.029 nan 4.420 nan 0.000 0.218 824 P C 0.582 177.879 177.300 -0.004 0.000 1.149 824 P CA 1.166 64.248 63.100 -0.031 0.000 0.817 824 P CB 0.119 31.805 31.700 -0.023 0.000 0.785 825 K N -0.173 120.235 120.400 0.013 0.000 2.555 825 K HA -0.040 4.278 4.320 -0.003 0.000 0.193 825 K C 0.719 177.342 176.600 0.038 0.000 1.032 825 K CA 0.122 56.425 56.287 0.026 0.000 1.004 825 K CB -0.185 32.332 32.500 0.029 0.000 0.804 825 K HN 0.302 nan 8.250 nan 0.000 0.496 826 E N 3.109 123.332 120.200 0.038 0.000 2.220 826 E HA 0.029 4.377 4.350 -0.003 0.000 0.272 826 E C -2.217 174.427 176.600 0.074 0.000 1.099 826 E CA -1.943 54.491 56.400 0.056 0.000 0.907 826 E CB 0.577 30.313 29.700 0.060 0.000 1.022 826 E HN -0.002 nan 8.360 nan 0.000 0.428 827 P HA -0.017 nan 4.420 nan 0.000 0.274 827 P C 0.615 177.970 177.300 0.092 0.000 1.237 827 P CA -0.057 63.095 63.100 0.087 0.000 0.793 827 P CB 1.071 32.826 31.700 0.092 0.000 0.977 828 L N 0.694 121.965 121.223 0.079 0.000 2.179 828 L HA 0.121 4.459 4.340 -0.003 0.000 0.208 828 L C 1.029 177.941 176.870 0.070 0.000 1.096 828 L CA 1.157 56.028 54.840 0.052 0.000 0.779 828 L CB -0.161 41.893 42.059 -0.009 0.000 0.922 828 L HN 0.323 nan 8.230 nan 0.000 0.443 829 I N -0.483 120.148 120.570 0.100 0.000 2.500 829 I HA 0.250 4.418 4.170 -0.003 0.000 0.286 829 I C -0.603 175.653 176.117 0.231 0.000 1.063 829 I CA -0.174 61.220 61.300 0.157 0.000 1.062 829 I CB 1.922 40.003 38.000 0.135 0.000 1.223 829 I HN -0.020 nan 8.210 nan 0.000 0.435 830 S N 3.316 119.155 115.700 0.231 0.000 2.643 830 S HA 0.883 5.352 4.470 -0.003 0.000 0.270 830 S C 0.140 174.859 174.600 0.198 0.000 1.166 830 S CA -0.253 58.087 58.200 0.233 0.000 0.815 830 S CB 1.356 64.639 63.200 0.137 0.000 1.139 830 S HN 1.276 nan 8.310 nan 0.000 0.472 831 G N 1.506 110.381 108.800 0.124 0.000 2.627 831 G HA2 -0.379 3.579 3.960 -0.003 0.000 0.312 831 G HA3 -0.379 3.579 3.960 -0.003 0.000 0.312 831 G C 0.854 175.887 174.900 0.220 0.000 1.299 831 G CA 0.730 45.900 45.100 0.117 0.000 0.989 831 G HN 1.351 nan 8.290 nan 0.000 0.547 832 W N -0.059 121.239 121.300 -0.004 0.000 2.387 832 W HA -0.022 4.636 4.660 -0.003 0.000 0.272 832 W C 2.253 178.823 176.519 0.085 0.000 1.224 832 W CA 1.799 59.157 57.345 0.022 0.000 1.210 832 W CB -0.151 29.241 29.460 -0.113 0.000 1.125 832 W HN 0.407 nan 8.180 nan 0.000 0.572 833 L N 0.170 121.432 121.223 0.064 0.000 2.179 833 L HA -0.062 4.276 4.340 -0.003 0.000 0.208 833 L C 2.292 179.083 176.870 -0.131 0.000 1.096 833 L CA 1.669 56.427 54.840 -0.137 0.000 0.779 833 L CB -1.287 40.760 42.059 -0.020 0.000 0.922 833 L HN -0.040 nan 8.230 nan 0.000 0.443 834 F N -0.994 118.919 119.950 -0.062 0.000 2.102 834 F HA -0.284 4.241 4.527 -0.003 0.000 0.298 834 F C 2.257 178.005 175.800 -0.085 0.000 1.105 834 F CA 1.748 59.746 58.000 -0.002 0.000 1.239 834 F CB -0.340 38.689 39.000 0.049 0.000 0.991 834 F HN 0.176 nan 8.300 nan 0.000 0.474 835 F N 1.424 121.418 119.950 0.073 0.000 2.126 835 F HA -0.194 4.331 4.527 -0.003 0.000 0.299 835 F C 2.427 177.984 175.800 -0.404 0.000 1.096 835 F CA 1.778 59.675 58.000 -0.170 0.000 1.255 835 F CB -0.505 38.237 39.000 -0.430 0.000 0.997 835 F HN -0.163 nan 8.300 nan 0.000 0.479 836 R N -1.054 119.091 120.500 -0.591 0.000 2.070 836 R HA -0.204 4.135 4.340 -0.003 0.000 0.232 836 R C 2.127 178.150 176.300 -0.461 0.000 1.138 836 R CA 2.074 57.791 56.100 -0.638 0.000 0.936 836 R CB -1.053 28.832 30.300 -0.691 0.000 0.839 836 R HN 0.298 nan 8.270 nan 0.000 0.429 837 Y N 0.303 120.439 120.300 -0.273 0.000 2.403 837 Y HA -0.148 4.400 4.550 -0.003 0.000 0.291 837 Y C 2.206 177.932 175.900 -0.291 0.000 1.143 837 Y CA 0.790 58.746 58.100 -0.241 0.000 1.257 837 Y CB -0.443 37.879 38.460 -0.230 0.000 0.984 837 Y HN 0.108 nan 8.280 nan 0.000 0.550 838 M N 0.185 119.633 119.600 -0.254 0.000 2.117 838 M HA -0.107 4.371 4.480 -0.003 0.000 0.262 838 M C 2.145 178.275 176.300 -0.284 0.000 1.065 838 M CA 1.973 57.106 55.300 -0.278 0.000 1.114 838 M CB -0.446 32.003 32.600 -0.251 0.000 1.361 838 M HN 0.129 nan 8.290 nan 0.000 0.408 839 A N 0.398 122.968 122.820 -0.416 0.000 1.835 839 A HA 0.008 4.326 4.320 -0.003 0.000 0.213 839 A C 1.984 179.505 177.584 -0.105 0.000 1.210 839 A CA 1.350 53.199 52.037 -0.313 0.000 0.605 839 A CB -0.905 17.830 19.000 -0.441 0.000 0.860 839 A HN 0.489 nan 8.150 nan 0.000 0.447 840 I N 0.596 121.116 120.570 -0.084 0.000 2.103 840 I HA -0.323 3.846 4.170 -0.003 0.000 0.241 840 I C 2.681 178.855 176.117 0.094 0.000 1.036 840 I CA 1.962 63.285 61.300 0.039 0.000 1.300 840 I CB -2.136 35.913 38.000 0.082 0.000 1.010 840 I HN 0.379 nan 8.210 nan 0.000 0.406 841 G N 0.475 109.294 108.800 0.031 0.000 2.491 841 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.218 841 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.218 841 G C 1.765 176.680 174.900 0.024 0.000 1.180 841 G CA 1.210 46.316 45.100 0.010 0.000 0.774 841 G HN 0.527 nan 8.290 nan 0.000 0.562 842 G N -0.261 108.544 108.800 0.008 0.000 2.469 842 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.220 842 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.220 842 G C 1.629 176.562 174.900 0.056 0.000 1.136 842 G CA 1.304 46.419 45.100 0.025 0.000 0.759 842 G HN 0.464 nan 8.290 nan 0.000 0.562 843 Y N 1.560 121.845 120.300 -0.025 0.000 2.089 843 Y HA -0.190 4.358 4.550 -0.003 0.000 0.282 843 Y C 2.961 178.863 175.900 0.004 0.000 1.139 843 Y CA 2.340 60.434 58.100 -0.009 0.000 1.123 843 Y CB -0.720 37.732 38.460 -0.014 0.000 0.980 843 Y HN 0.139 nan 8.280 nan 0.000 0.493 844 V N -0.122 119.813 119.914 0.035 0.000 2.453 844 V HA -0.180 3.938 4.120 -0.003 0.000 0.252 844 V C 2.178 178.213 176.094 -0.098 0.000 1.068 844 V CA 2.346 64.616 62.300 -0.050 0.000 1.070 844 V CB -1.625 30.225 31.823 0.044 0.000 0.664 844 V HN 0.496 nan 8.190 nan 0.000 0.461 845 G N -0.445 108.324 108.800 -0.052 0.000 2.422 845 G HA2 -0.078 3.880 3.960 -0.003 0.000 0.218 845 G HA3 -0.078 3.880 3.960 -0.003 0.000 0.218 845 G C 1.694 176.566 174.900 -0.046 0.000 1.146 845 G CA 1.107 46.194 45.100 -0.021 0.000 0.769 845 G HN 0.951 nan 8.290 nan 0.000 0.547 846 A N 0.842 123.598 122.820 -0.106 0.000 1.935 846 A HA 0.521 4.839 4.320 -0.003 0.000 0.214 846 A C 2.757 180.238 177.584 -0.172 0.000 1.178 846 A CA 1.662 53.634 52.037 -0.108 0.000 0.640 846 A CB -0.612 18.324 19.000 -0.107 0.000 0.825 846 A HN 0.646 nan 8.150 nan 0.000 0.447 847 A N 0.184 122.795 122.820 -0.348 0.000 1.902 847 A HA -0.122 4.196 4.320 -0.003 0.000 0.217 847 A C 2.454 179.948 177.584 -0.149 0.000 1.181 847 A CA 2.636 54.469 52.037 -0.340 0.000 0.623 847 A CB -1.384 17.282 19.000 -0.558 0.000 0.818 847 A HN 0.691 nan 8.150 nan 0.000 0.443 848 T N -2.611 111.877 114.554 -0.110 0.000 2.737 848 T HA -0.092 4.257 4.350 -0.003 0.000 0.265 848 T C 1.739 176.438 174.700 -0.001 0.000 1.038 848 T CA 1.479 63.553 62.100 -0.044 0.000 1.144 848 T CB -0.885 67.965 68.868 -0.031 0.000 0.866 848 T HN 0.050 nan 8.240 nan 0.000 0.434 849 V N 2.249 122.165 119.914 0.004 0.000 2.261 849 V HA -0.010 4.108 4.120 -0.003 0.000 0.246 849 V C 3.138 179.283 176.094 0.085 0.000 1.047 849 V CA 1.997 64.322 62.300 0.043 0.000 1.015 849 V CB -1.588 30.256 31.823 0.035 0.000 0.642 849 V HN 0.688 nan 8.190 nan 0.000 0.446 850 G N -0.315 108.525 108.800 0.066 0.000 2.529 850 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.219 850 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.219 850 G C 1.796 176.814 174.900 0.196 0.000 1.177 850 G CA 1.501 46.673 45.100 0.120 0.000 0.773 850 G HN 0.643 nan 8.290 nan 0.000 0.573 851 A N 1.270 124.163 122.820 0.122 0.000 1.869 851 A HA 0.071 4.390 4.320 -0.003 0.000 0.218 851 A C 2.894 180.680 177.584 0.336 0.000 1.203 851 A CA 3.077 55.215 52.037 0.170 0.000 0.638 851 A CB -1.134 17.889 19.000 0.039 0.000 0.831 851 A HN 1.059 nan 8.150 nan 0.000 0.450 852 A N -0.404 122.555 122.820 0.230 0.000 1.865 852 A HA 0.112 4.431 4.320 -0.003 0.000 0.217 852 A C 2.579 180.419 177.584 0.427 0.000 1.191 852 A CA 2.593 54.780 52.037 0.250 0.000 0.623 852 A CB -1.262 17.839 19.000 0.168 0.000 0.826 852 A HN 1.281 nan 8.150 nan 0.000 0.444 853 A N -1.465 121.595 122.820 0.401 0.000 1.948 853 A HA -0.209 4.109 4.320 -0.003 0.000 0.220 853 A C 1.952 179.820 177.584 0.473 0.000 1.177 853 A CA 1.821 54.124 52.037 0.443 0.000 0.636 853 A CB -1.040 18.117 19.000 0.261 0.000 0.815 853 A HN 0.944 nan 8.150 nan 0.000 0.449 854 W N -0.567 120.888 121.300 0.258 0.000 2.317 854 W HA -0.268 4.390 4.660 -0.002 0.000 0.318 854 W C 2.009 178.654 176.519 0.209 0.000 1.227 854 W CA 2.038 59.525 57.345 0.236 0.000 1.269 854 W CB -0.937 28.633 29.460 0.183 0.000 1.155 854 W HN 0.486 nan 8.180 nan 0.000 0.484 855 W N 0.178 121.387 121.300 -0.152 0.000 2.321 855 W HA -0.285 4.373 4.660 -0.003 0.000 0.285 855 W C 1.913 178.115 176.519 -0.528 0.000 1.213 855 W CA 2.582 59.584 57.345 -0.572 0.000 1.205 855 W CB -0.825 28.400 29.460 -0.392 0.000 1.134 855 W HN -0.042 nan 8.180 nan 0.000 0.549 856 F N -0.960 118.978 119.950 -0.019 0.000 2.219 856 F HA 0.135 4.660 4.527 -0.003 0.000 0.294 856 F C 1.402 177.032 175.800 -0.283 0.000 1.086 856 F CA 1.052 58.978 58.000 -0.123 0.000 1.330 856 F CB -0.529 38.516 39.000 0.074 0.000 1.047 856 F HN -0.374 nan 8.300 nan 0.000 0.495 857 M N -0.844 118.723 119.600 -0.055 0.000 2.181 857 M HA 0.239 4.717 4.480 -0.003 0.000 0.323 857 M C -0.937 175.191 176.300 -0.287 0.000 1.004 857 M CA -0.543 54.594 55.300 -0.272 0.000 0.941 857 M CB 1.348 33.816 32.600 -0.220 0.000 1.579 857 M HN 0.168 nan 8.290 nan 0.000 0.427 858 Y N -0.618 119.581 120.300 -0.168 0.000 4.879 858 Y HA -0.201 4.348 4.550 -0.003 0.000 0.247 858 Y C 0.203 175.884 175.900 -0.366 0.000 0.985 858 Y CA 0.398 58.416 58.100 -0.135 0.000 2.000 858 Y CB -2.256 36.270 38.460 0.111 0.000 1.519 858 Y HN 0.780 nan 8.280 nan 0.000 0.613 859 A N 0.371 122.826 122.820 -0.608 0.000 2.312 859 A HA 0.656 4.974 4.320 -0.003 0.000 0.326 859 A C 0.730 178.002 177.584 -0.519 0.000 1.172 859 A CA -0.565 50.962 52.037 -0.851 0.000 0.821 859 A CB 0.634 18.789 19.000 -1.408 0.000 1.166 859 A HN 0.325 nan 8.150 nan 0.000 0.493 860 E N 1.023 121.025 120.200 -0.330 0.000 2.296 860 E HA 0.066 4.415 4.350 -0.003 0.000 0.196 860 E C -0.766 175.695 176.600 -0.231 0.000 1.143 860 E CA 0.117 56.393 56.400 -0.207 0.000 1.145 860 E CB 0.118 29.776 29.700 -0.070 0.000 1.215 860 E HN 0.547 nan 8.360 nan 0.000 0.447 861 D N -0.021 120.134 120.400 -0.408 0.000 2.822 861 D HA 0.141 4.780 4.640 -0.003 0.000 0.327 861 D C 0.322 176.273 176.300 -0.582 0.000 1.577 861 D CA -0.067 53.735 54.000 -0.331 0.000 0.785 861 D CB 1.302 42.036 40.800 -0.109 0.000 1.199 861 D HN 0.259 nan 8.370 nan 0.000 0.443 862 G N 2.232 110.613 108.800 -0.698 0.000 2.398 862 G HA2 -0.076 3.882 3.960 -0.003 0.000 0.221 862 G HA3 -0.076 3.882 3.960 -0.003 0.000 0.221 862 G C -2.755 171.638 174.900 -0.845 0.000 1.112 862 G CA -0.931 43.687 45.100 -0.803 0.000 0.823 862 G HN -0.006 nan 8.290 nan 0.000 0.487 863 P HA 0.413 nan 4.420 nan 0.000 0.272 863 P C 0.975 178.106 177.300 -0.282 0.000 1.225 863 P CA 1.217 64.065 63.100 -0.421 0.000 0.800 863 P CB 0.720 32.250 31.700 -0.284 0.000 0.894 864 G N -1.756 106.931 108.800 -0.187 0.000 2.749 864 G HA2 0.381 4.339 3.960 -0.003 0.000 0.300 864 G HA3 0.381 4.339 3.960 -0.003 0.000 0.300 864 G C -1.229 173.639 174.900 -0.053 0.000 1.352 864 G CA -0.667 44.406 45.100 -0.046 0.000 0.789 864 G HN 0.316 nan 8.290 nan 0.000 0.509 865 V N 1.952 121.876 119.914 0.017 0.000 2.450 865 V HA 0.085 4.204 4.120 -0.003 0.000 0.264 865 V C 1.995 178.099 176.094 0.015 0.000 0.996 865 V CA 1.166 63.488 62.300 0.036 0.000 1.138 865 V CB -0.116 31.755 31.823 0.079 0.000 1.051 865 V HN 0.970 nan 8.190 nan 0.000 0.470 866 T N 0.845 115.382 114.554 -0.028 0.000 3.155 866 T HA -0.100 4.248 4.350 -0.003 0.000 0.264 866 T C 0.970 175.759 174.700 0.148 0.000 1.160 866 T CA 0.743 62.777 62.100 -0.110 0.000 1.075 866 T CB -0.391 68.344 68.868 -0.221 0.000 0.921 866 T HN 0.549 nan 8.240 nan 0.000 0.533 867 Y N 0.461 120.773 120.300 0.020 0.000 2.485 867 Y HA 0.283 4.832 4.550 -0.002 0.000 0.260 867 Y C 1.023 177.004 175.900 0.134 0.000 1.173 867 Y CA -1.167 56.975 58.100 0.070 0.000 1.252 867 Y CB -0.307 38.186 38.460 0.055 0.000 1.123 867 Y HN 0.531 nan 8.280 nan 0.000 0.524 868 H N -1.174 117.936 119.070 0.067 0.000 3.080 868 H HA -0.198 4.356 4.556 -0.003 0.000 0.254 868 H C 1.395 176.687 175.328 -0.061 0.000 1.179 868 H CA 0.819 56.864 56.048 -0.006 0.000 1.144 868 H CB -0.946 28.804 29.762 -0.019 0.000 1.261 868 H HN 0.224 nan 8.280 nan 0.000 0.333 869 Q N -0.052 119.757 119.800 0.014 0.000 2.369 869 Q HA -0.002 4.336 4.340 -0.003 0.000 0.206 869 Q C 2.427 178.291 176.000 -0.226 0.000 0.963 869 Q CA 1.027 56.809 55.803 -0.035 0.000 0.894 869 Q CB -0.249 28.555 28.738 0.110 0.000 0.965 869 Q HN 0.631 nan 8.270 nan 0.000 0.475 870 L N 1.200 122.297 121.223 -0.209 0.000 2.137 870 L HA -0.192 4.147 4.340 -0.003 0.000 0.213 870 L C 1.645 178.283 176.870 -0.388 0.000 1.085 870 L CA 1.953 56.643 54.840 -0.249 0.000 0.760 870 L CB -1.179 40.714 42.059 -0.276 0.000 0.893 870 L HN 0.079 nan 8.230 nan 0.000 0.434 871 T N -0.342 113.865 114.554 -0.578 0.000 2.848 871 T HA -0.201 4.148 4.350 -0.003 0.000 0.269 871 T C 1.002 175.362 174.700 -0.565 0.000 1.081 871 T CA 1.840 63.580 62.100 -0.600 0.000 1.125 871 T CB -0.621 67.811 68.868 -0.726 0.000 0.848 871 T HN 0.606 nan 8.240 nan 0.000 0.503 872 H N 0.096 119.044 119.070 -0.203 0.000 2.487 872 H HA 0.230 4.784 4.556 -0.003 0.000 0.290 872 H C 1.495 176.553 175.328 -0.450 0.000 1.081 872 H CA -0.669 55.200 56.048 -0.299 0.000 1.116 872 H CB -0.855 28.785 29.762 -0.205 0.000 1.560 872 H HN 0.566 nan 8.280 nan 0.000 0.548 873 F N 0.293 119.881 119.950 -0.603 0.000 2.271 873 F HA -0.235 4.290 4.527 -0.003 0.000 0.302 873 F C 1.934 177.324 175.800 -0.684 0.000 1.063 873 F CA 0.807 58.124 58.000 -1.139 0.000 1.362 873 F CB -0.431 37.363 39.000 -2.010 0.000 1.060 873 F HN -0.043 nan 8.300 nan 0.000 0.521 874 M N 0.772 119.494 119.600 -1.462 0.000 2.108 874 M HA -0.165 4.313 4.480 -0.003 0.000 0.261 874 M C 0.724 176.747 176.300 -0.461 0.000 1.066 874 M CA 1.456 56.140 55.300 -1.025 0.000 1.107 874 M CB -1.212 30.833 32.600 -0.925 0.000 1.356 874 M HN 0.358 nan 8.290 nan 0.000 0.406 875 Q N -0.849 118.741 119.800 -0.351 0.000 2.423 875 Q HA 0.130 4.469 4.340 -0.003 0.000 0.235 875 Q C 0.511 176.462 176.000 -0.082 0.000 1.100 875 Q CA -0.475 55.216 55.803 -0.186 0.000 0.908 875 Q CB 1.329 29.957 28.738 -0.184 0.000 1.312 875 Q HN 0.355 nan 8.270 nan 0.000 0.497 876 c N 0.845 119.437 118.600 -0.013 0.000 3.024 876 c HA 0.015 4.583 4.570 -0.003 0.000 0.344 876 c C 2.174 176.304 174.090 0.066 0.000 2.031 876 c CA 0.466 56.842 56.329 0.078 0.000 1.998 876 c CB 0.452 43.116 42.510 0.257 0.000 1.929 876 c HN 0.767 nan 8.230 nan 0.000 0.660 877 T N 1.173 115.782 114.554 0.092 0.000 2.977 877 T HA -0.124 4.224 4.350 -0.003 0.000 0.271 877 T C 1.224 175.980 174.700 0.093 0.000 1.105 877 T CA 1.953 64.126 62.100 0.122 0.000 1.116 877 T CB -0.222 68.705 68.868 0.097 0.000 0.878 877 T HN 0.631 nan 8.240 nan 0.000 0.509 878 E N 1.940 122.165 120.200 0.043 0.000 1.997 878 E HA -0.080 4.268 4.350 -0.003 0.000 0.196 878 E C 0.572 177.197 176.600 0.042 0.000 0.990 878 E CA 1.075 57.484 56.400 0.016 0.000 0.845 878 E CB -0.021 29.657 29.700 -0.037 0.000 0.795 878 E HN 0.222 nan 8.360 nan 0.000 0.479 879 D N 0.360 120.775 120.400 0.025 0.000 2.943 879 D HA -0.004 4.634 4.640 -0.003 0.000 0.249 879 D C 0.715 177.112 176.300 0.162 0.000 1.231 879 D CA -0.010 54.031 54.000 0.070 0.000 0.979 879 D CB 0.101 40.891 40.800 -0.016 0.000 1.053 879 D HN 0.323 nan 8.370 nan 0.000 0.504 880 H N 2.384 121.500 119.070 0.077 0.000 2.321 880 H HA -0.116 4.439 4.556 -0.003 0.000 0.295 880 H C -0.981 174.406 175.328 0.099 0.000 1.102 880 H CA 1.370 57.471 56.048 0.088 0.000 1.266 880 H CB -0.493 29.302 29.762 0.055 0.000 1.363 880 H HN 0.236 nan 8.280 nan 0.000 0.492 881 P HA -0.055 nan 4.420 nan 0.000 0.247 881 P C 0.772 178.155 177.300 0.138 0.000 1.225 881 P CA 0.671 63.883 63.100 0.187 0.000 0.768 881 P CB -0.220 31.545 31.700 0.109 0.000 1.020 882 H N 0.652 119.782 119.070 0.099 0.000 2.716 882 H HA -0.038 4.516 4.556 -0.003 0.000 0.303 882 H C 0.560 175.981 175.328 0.154 0.000 1.022 882 H CA 1.946 58.099 56.048 0.175 0.000 1.149 882 H CB -0.454 29.442 29.762 0.223 0.000 1.499 882 H HN -0.035 nan 8.280 nan 0.000 0.698 883 F N -0.178 119.743 119.950 -0.047 0.000 2.798 883 F HA 0.187 4.712 4.527 -0.002 0.000 0.328 883 F C 1.504 177.291 175.800 -0.022 0.000 1.098 883 F CA -0.361 57.574 58.000 -0.109 0.000 1.172 883 F CB 0.449 39.361 39.000 -0.146 0.000 1.072 883 F HN 0.181 nan 8.300 nan 0.000 0.555 884 E N 0.665 120.950 120.200 0.142 0.000 2.029 884 E HA 0.129 4.478 4.350 -0.003 0.000 0.217 884 E C 1.855 178.446 176.600 -0.015 0.000 0.903 884 E CA 1.239 57.653 56.400 0.023 0.000 1.062 884 E CB -1.013 28.585 29.700 -0.171 0.000 0.908 884 E HN 0.147 nan 8.360 nan 0.000 0.569 885 G N 0.836 109.614 108.800 -0.035 0.000 2.164 885 G HA2 -0.146 3.813 3.960 -0.003 0.000 0.212 885 G HA3 -0.146 3.813 3.960 -0.003 0.000 0.212 885 G C 0.128 175.066 174.900 0.064 0.000 1.031 885 G CA 0.522 45.664 45.100 0.070 0.000 0.730 885 G HN 0.342 nan 8.290 nan 0.000 0.501 886 L N -4.915 116.328 121.223 0.033 0.000 3.041 886 L HA 0.698 5.037 4.340 -0.003 0.000 0.278 886 L C -0.809 176.077 176.870 0.027 0.000 1.051 886 L CA -1.340 53.517 54.840 0.029 0.000 0.957 886 L CB 0.724 42.762 42.059 -0.036 0.000 1.538 886 L HN -0.014 nan 8.230 nan 0.000 0.393 887 D N 0.882 121.289 120.400 0.013 0.000 2.451 887 D HA 0.033 4.671 4.640 -0.003 0.000 0.254 887 D C -0.168 176.095 176.300 -0.062 0.000 1.204 887 D CA 0.134 54.142 54.000 0.012 0.000 0.896 887 D CB 0.898 41.690 40.800 -0.014 0.000 1.136 887 D HN 0.623 nan 8.370 nan 0.000 0.499 888 c N 4.592 123.197 118.600 0.008 0.000 3.093 888 c HA 0.143 4.711 4.570 -0.003 0.000 0.515 888 c C 1.460 175.581 174.090 0.051 0.000 1.253 888 c CA -0.228 56.114 56.329 0.023 0.000 1.476 888 c CB -1.442 41.136 42.510 0.115 0.000 1.873 888 c HN 0.681 nan 8.230 nan 0.000 0.632 889 E N -0.531 119.629 120.200 -0.066 0.000 2.614 889 E HA 0.098 4.447 4.350 -0.003 0.000 0.192 889 E C 1.399 177.974 176.600 -0.041 0.000 0.930 889 E CA -0.122 56.288 56.400 0.016 0.000 1.346 889 E CB 0.274 29.996 29.700 0.037 0.000 1.252 889 E HN 0.351 nan 8.360 nan 0.000 0.647 890 I N 1.080 121.521 120.570 -0.215 0.000 2.567 890 I HA -0.161 4.008 4.170 -0.003 0.000 0.257 890 I C 1.366 177.566 176.117 0.137 0.000 1.184 890 I CA 1.169 62.422 61.300 -0.077 0.000 1.451 890 I CB -0.963 36.954 38.000 -0.137 0.000 1.089 890 I HN 0.199 nan 8.210 nan 0.000 0.441 891 F N 1.169 121.314 119.950 0.325 0.000 2.451 891 F HA -0.090 4.435 4.527 -0.003 0.000 0.299 891 F C 2.091 177.983 175.800 0.153 0.000 1.101 891 F CA 0.594 58.729 58.000 0.224 0.000 1.436 891 F CB -0.784 38.212 39.000 -0.007 0.000 1.074 891 F HN 0.195 nan 8.300 nan 0.000 0.553 892 E N 0.151 120.492 120.200 0.234 0.000 2.451 892 E HA 0.304 4.652 4.350 -0.003 0.000 0.194 892 E C 0.566 177.174 176.600 0.014 0.000 1.027 892 E CA -0.310 56.160 56.400 0.116 0.000 0.914 892 E CB 0.176 29.934 29.700 0.097 0.000 1.054 892 E HN 0.183 nan 8.360 nan 0.000 0.461 893 A N 2.541 125.350 122.820 -0.017 0.000 2.511 893 A HA 0.093 4.411 4.320 -0.003 0.000 0.242 893 A C -1.333 176.029 177.584 -0.371 0.000 1.069 893 A CA -0.944 50.947 52.037 -0.242 0.000 0.763 893 A CB 0.195 18.922 19.000 -0.456 0.000 1.001 893 A HN 0.016 nan 8.150 nan 0.000 0.498 894 P HA -0.090 nan 4.420 nan 0.000 0.217 894 P C 0.701 177.718 177.300 -0.472 0.000 1.154 894 P CA 1.095 64.000 63.100 -0.325 0.000 0.841 894 P CB 0.226 31.790 31.700 -0.226 0.000 0.790 895 E N 1.258 121.041 120.200 -0.695 0.000 2.049 895 E HA -0.153 4.196 4.350 -0.003 0.000 0.198 895 E C -0.445 175.605 176.600 -0.916 0.000 1.007 895 E CA 2.265 58.175 56.400 -0.817 0.000 0.809 895 E CB -2.285 26.812 29.700 -1.006 0.000 0.749 895 E HN 0.421 nan 8.360 nan 0.000 0.450 896 P HA -0.186 nan 4.420 nan 0.000 0.219 896 P C 1.166 178.295 177.300 -0.286 0.000 1.146 896 P CA 1.603 64.283 63.100 -0.701 0.000 0.808 896 P CB 0.011 31.264 31.700 -0.744 0.000 0.779 897 M N -0.490 118.937 119.600 -0.289 0.000 2.248 897 M HA -0.038 4.440 4.480 -0.003 0.000 0.265 897 M C 2.213 178.432 176.300 -0.134 0.000 1.079 897 M CA 2.170 57.385 55.300 -0.142 0.000 1.150 897 M CB -1.155 31.378 32.600 -0.111 0.000 1.366 897 M HN -0.006 nan 8.290 nan 0.000 0.433 898 T N -1.569 112.866 114.554 -0.199 0.000 3.113 898 T HA -0.017 4.331 4.350 -0.003 0.000 0.263 898 T C 1.612 176.188 174.700 -0.207 0.000 1.143 898 T CA 0.560 62.553 62.100 -0.178 0.000 1.090 898 T CB 0.005 68.734 68.868 -0.232 0.000 0.922 898 T HN 0.093 nan 8.240 nan 0.000 0.521 899 M N 1.860 121.345 119.600 -0.191 0.000 2.131 899 M HA 0.365 4.844 4.480 -0.003 0.000 0.253 899 M C 2.962 179.199 176.300 -0.105 0.000 1.107 899 M CA 1.545 56.760 55.300 -0.141 0.000 1.147 899 M CB -1.725 30.868 32.600 -0.012 0.000 1.279 899 M HN 0.419 nan 8.290 nan 0.000 0.432 900 A N 0.157 122.949 122.820 -0.046 0.000 2.042 900 A HA -0.202 4.117 4.320 -0.003 0.000 0.222 900 A C 2.291 179.844 177.584 -0.051 0.000 1.167 900 A CA 1.658 53.678 52.037 -0.029 0.000 0.649 900 A CB -1.050 17.952 19.000 0.003 0.000 0.809 900 A HN 0.530 nan 8.150 nan 0.000 0.457 901 L N -1.210 119.972 121.223 -0.068 0.000 2.102 901 L HA -0.039 4.300 4.340 -0.003 0.000 0.202 901 L C 2.545 179.338 176.870 -0.127 0.000 1.076 901 L CA 1.556 56.355 54.840 -0.068 0.000 0.761 901 L CB -0.172 41.868 42.059 -0.031 0.000 0.921 901 L HN 0.279 nan 8.230 nan 0.000 0.444 902 S N -0.896 114.706 115.700 -0.164 0.000 2.419 902 S HA -0.182 4.287 4.470 -0.003 0.000 0.233 902 S C 1.772 176.283 174.600 -0.149 0.000 1.016 902 S CA 1.310 59.376 58.200 -0.224 0.000 0.974 902 S CB -0.175 62.721 63.200 -0.507 0.000 0.786 902 S HN 0.428 nan 8.310 nan 0.000 0.492 903 V N 1.049 120.891 119.914 -0.121 0.000 2.719 903 V HA 0.007 4.125 4.120 -0.003 0.000 0.252 903 V C 1.834 177.922 176.094 -0.011 0.000 1.065 903 V CA 1.032 63.303 62.300 -0.049 0.000 1.086 903 V CB -0.115 31.673 31.823 -0.058 0.000 0.700 903 V HN 0.409 nan 8.190 nan 0.000 0.467 904 L N -0.445 120.758 121.223 -0.034 0.000 2.007 904 L HA -0.005 4.333 4.340 -0.003 0.000 0.205 904 L C 2.428 179.296 176.870 -0.003 0.000 1.073 904 L CA 2.230 57.062 54.840 -0.015 0.000 0.744 904 L CB -0.681 41.360 42.059 -0.029 0.000 0.898 904 L HN 0.144 nan 8.230 nan 0.000 0.435 905 V N 0.252 120.135 119.914 -0.051 0.000 2.236 905 V HA -0.465 3.653 4.120 -0.003 0.000 0.255 905 V C 2.735 178.862 176.094 0.056 0.000 1.068 905 V CA 2.870 65.142 62.300 -0.046 0.000 1.044 905 V CB -1.510 30.178 31.823 -0.226 0.000 0.653 905 V HN 0.816 nan 8.190 nan 0.000 0.448 906 T N -1.296 113.318 114.554 0.101 0.000 2.684 906 T HA -0.182 4.167 4.350 -0.003 0.000 0.267 906 T C 1.798 176.577 174.700 0.132 0.000 1.036 906 T CA 1.943 64.140 62.100 0.161 0.000 1.148 906 T CB -0.646 68.355 68.868 0.221 0.000 0.863 906 T HN 0.406 nan 8.240 nan 0.000 0.436 907 I N 1.158 121.797 120.570 0.115 0.000 2.399 907 I HA -0.146 4.022 4.170 -0.003 0.000 0.254 907 I C 2.770 178.966 176.117 0.131 0.000 1.146 907 I CA 1.281 62.658 61.300 0.129 0.000 1.412 907 I CB -0.336 37.744 38.000 0.132 0.000 1.076 907 I HN 0.249 nan 8.210 nan 0.000 0.432 908 E N 0.102 120.377 120.200 0.124 0.000 2.086 908 E HA -0.052 4.297 4.350 -0.003 0.000 0.190 908 E C 2.154 178.887 176.600 0.220 0.000 0.975 908 E CA 0.837 57.345 56.400 0.180 0.000 0.813 908 E CB -0.147 29.622 29.700 0.116 0.000 0.768 908 E HN 0.321 nan 8.360 nan 0.000 0.457 909 M N -0.084 119.607 119.600 0.152 0.000 2.460 909 M HA -0.087 4.392 4.480 -0.003 0.000 0.263 909 M C 2.198 178.548 176.300 0.083 0.000 1.071 909 M CA 0.608 55.976 55.300 0.114 0.000 1.096 909 M CB -1.174 31.497 32.600 0.117 0.000 1.408 909 M HN 0.133 nan 8.290 nan 0.000 0.463 910 C N 0.112 119.474 119.300 0.103 0.000 2.538 910 C HA -0.006 4.453 4.460 -0.003 0.000 0.281 910 C C 2.588 177.622 174.990 0.073 0.000 1.320 910 C CA 0.698 59.764 59.018 0.080 0.000 1.714 910 C CB -0.904 26.891 27.740 0.092 0.000 2.095 910 C HN 0.569 nan 8.230 nan 0.000 0.497 911 N N 1.138 119.913 118.700 0.125 0.000 2.309 911 N HA -0.049 4.690 4.740 -0.003 0.000 0.182 911 N C 1.562 177.127 175.510 0.093 0.000 1.018 911 N CA 1.403 54.546 53.050 0.154 0.000 0.876 911 N CB -0.117 38.508 38.487 0.229 0.000 0.972 911 N HN 0.472 nan 8.380 nan 0.000 0.434 912 A N 0.301 123.107 122.820 -0.024 0.000 1.933 912 A HA -0.064 4.254 4.320 -0.003 0.000 0.218 912 A C 2.153 179.581 177.584 -0.260 0.000 1.175 912 A CA 0.967 52.709 52.037 -0.492 0.000 0.628 912 A CB -0.652 18.064 19.000 -0.474 0.000 0.814 912 A HN 0.354 nan 8.150 nan 0.000 0.444 913 L N -0.226 120.932 121.223 -0.108 0.000 2.156 913 L HA -0.130 4.208 4.340 -0.003 0.000 0.208 913 L C 1.716 178.553 176.870 -0.055 0.000 1.095 913 L CA 0.870 55.665 54.840 -0.074 0.000 0.770 913 L CB -0.648 41.390 42.059 -0.035 0.000 0.914 913 L HN 0.385 nan 8.230 nan 0.000 0.439 914 N N -0.447 118.241 118.700 -0.019 0.000 2.550 914 N HA -0.078 4.661 4.740 -0.003 0.000 0.186 914 N C 1.573 177.096 175.510 0.020 0.000 1.110 914 N CA 0.795 53.852 53.050 0.012 0.000 0.912 914 N CB 0.181 38.698 38.487 0.050 0.000 0.968 914 N HN 0.222 nan 8.380 nan 0.000 0.448 915 S N 0.445 116.135 115.700 -0.016 0.000 2.535 915 S HA 0.244 4.712 4.470 -0.003 0.000 0.214 915 S C 1.924 176.498 174.600 -0.043 0.000 0.980 915 S CA -0.353 57.843 58.200 -0.008 0.000 0.907 915 S CB 0.419 63.595 63.200 -0.040 0.000 0.790 915 S HN 0.208 nan 8.310 nan 0.000 0.510 916 L N 0.964 122.148 121.223 -0.065 0.000 2.129 916 L HA -0.045 4.293 4.340 -0.003 0.000 0.212 916 L C 1.079 177.924 176.870 -0.043 0.000 1.087 916 L CA 0.830 55.633 54.840 -0.062 0.000 0.757 916 L CB -0.033 41.980 42.059 -0.077 0.000 0.896 916 L HN 0.211 nan 8.230 nan 0.000 0.434 917 S N -1.874 113.808 115.700 -0.030 0.000 2.548 917 S HA 0.130 4.599 4.470 -0.003 0.000 0.276 917 S C 0.518 175.120 174.600 0.003 0.000 1.129 917 S CA -0.787 57.402 58.200 -0.018 0.000 0.931 917 S CB 1.812 64.998 63.200 -0.024 0.000 1.068 917 S HN 0.240 nan 8.310 nan 0.000 0.480 918 E N 2.847 123.053 120.200 0.010 0.000 2.077 918 E HA -0.128 4.221 4.350 -0.003 0.000 0.193 918 E C 0.404 177.023 176.600 0.031 0.000 0.989 918 E CA 1.473 57.889 56.400 0.027 0.000 0.800 918 E CB 0.059 29.776 29.700 0.028 0.000 0.746 918 E HN 0.636 nan 8.360 nan 0.000 0.452 919 N N -0.619 118.097 118.700 0.027 0.000 2.145 919 N HA 0.037 4.775 4.740 -0.003 0.000 0.219 919 N C -0.869 174.655 175.510 0.023 0.000 1.266 919 N CA -0.016 53.055 53.050 0.034 0.000 0.902 919 N CB 0.891 39.398 38.487 0.033 0.000 1.078 919 N HN -0.012 nan 8.380 nan 0.000 0.513 920 Q N 0.680 120.485 119.800 0.009 0.000 2.279 920 Q HA 0.221 4.560 4.340 -0.003 0.000 0.256 920 Q C 0.212 176.213 176.000 0.002 0.000 0.937 920 Q CA -0.114 55.689 55.803 0.001 0.000 0.933 920 Q CB 1.393 30.121 28.738 -0.015 0.000 1.189 920 Q HN 0.064 nan 8.270 nan 0.000 0.417 921 S N 2.159 117.870 115.700 0.018 0.000 2.569 921 S HA 0.067 4.535 4.470 -0.003 0.000 0.274 921 S C 1.314 175.899 174.600 -0.025 0.000 1.353 921 S CA -0.372 57.840 58.200 0.020 0.000 1.023 921 S CB 0.390 63.622 63.200 0.054 0.000 0.876 921 S HN 0.678 nan 8.310 nan 0.000 0.540 922 L N 3.413 124.612 121.223 -0.040 0.000 2.362 922 L HA -0.094 4.245 4.340 -0.003 0.000 0.219 922 L C 2.334 179.130 176.870 -0.124 0.000 1.134 922 L CA 1.024 55.804 54.840 -0.099 0.000 0.807 922 L CB -0.516 41.490 42.059 -0.089 0.000 0.927 922 L HN 0.825 nan 8.230 nan 0.000 0.447 923 M N -1.829 117.737 119.600 -0.057 0.000 2.562 923 M HA -0.085 4.393 4.480 -0.003 0.000 0.257 923 M C 2.132 178.408 176.300 -0.041 0.000 1.099 923 M CA 1.384 56.663 55.300 -0.035 0.000 1.099 923 M CB -0.285 32.322 32.600 0.011 0.000 1.427 923 M HN 0.072 nan 8.290 nan 0.000 0.489 924 R N 0.642 121.111 120.500 -0.052 0.000 2.121 924 R HA 0.307 4.645 4.340 -0.003 0.000 0.206 924 R C 0.617 176.860 176.300 -0.096 0.000 1.094 924 R CA 0.273 56.346 56.100 -0.045 0.000 1.055 924 R CB 0.548 30.836 30.300 -0.020 0.000 0.964 924 R HN 0.333 nan 8.270 nan 0.000 0.473 925 M N 3.934 123.459 119.600 -0.126 0.000 2.986 925 M HA 0.322 4.800 4.480 -0.003 0.000 0.241 925 M C -2.395 173.729 176.300 -0.294 0.000 1.191 925 M CA -2.091 53.104 55.300 -0.174 0.000 1.143 925 M CB 1.682 34.214 32.600 -0.112 0.000 1.242 925 M HN -0.008 nan 8.290 nan 0.000 0.543 926 P HA 0.064 nan 4.420 nan 0.000 0.268 926 P C -2.259 174.593 177.300 -0.746 0.000 1.208 926 P CA -0.568 61.995 63.100 -0.896 0.000 0.777 926 P CB -0.027 30.531 31.700 -1.903 0.000 0.875 927 P HA -0.137 nan 4.420 nan 0.000 0.218 927 P C 1.105 178.325 177.300 -0.133 0.000 1.149 927 P CA 1.609 64.572 63.100 -0.229 0.000 0.817 927 P CB -0.552 31.105 31.700 -0.071 0.000 0.785 928 W N -0.218 121.068 121.300 -0.022 0.000 3.109 928 W HA 0.160 4.818 4.660 -0.003 0.000 0.242 928 W C 0.925 177.416 176.519 -0.047 0.000 1.318 928 W CA -0.212 57.109 57.345 -0.040 0.000 1.491 928 W CB -1.870 27.566 29.460 -0.041 0.000 1.120 928 W HN -0.303 nan 8.180 nan 0.000 0.715 929 V N 1.484 121.322 119.914 -0.126 0.000 3.129 929 V HA -0.090 4.028 4.120 -0.003 0.000 0.259 929 V C 0.692 176.776 176.094 -0.017 0.000 1.116 929 V CA 1.308 63.564 62.300 -0.074 0.000 1.127 929 V CB -0.763 30.972 31.823 -0.147 0.000 0.742 929 V HN 0.346 nan 8.190 nan 0.000 0.474 930 N N 0.030 118.724 118.700 -0.009 0.000 2.648 930 N HA 0.289 5.028 4.740 -0.003 0.000 0.261 930 N C 0.573 176.078 175.510 -0.008 0.000 1.138 930 N CA -0.191 52.872 53.050 0.021 0.000 0.804 930 N CB 1.088 39.619 38.487 0.073 0.000 1.237 930 N HN 0.145 nan 8.380 nan 0.000 0.532 931 I N 1.048 121.525 120.570 -0.154 0.000 2.264 931 I HA -0.250 3.919 4.170 -0.003 0.000 0.248 931 I C 1.344 177.402 176.117 -0.099 0.000 1.111 931 I CA 1.404 62.582 61.300 -0.204 0.000 1.382 931 I CB 0.007 37.752 38.000 -0.424 0.000 1.060 931 I HN 0.529 nan 8.210 nan 0.000 0.418 932 W N 0.290 121.653 121.300 0.105 0.000 2.338 932 W HA -0.256 4.402 4.660 -0.003 0.000 0.304 932 W C 2.444 179.012 176.519 0.082 0.000 1.212 932 W CA -0.073 57.350 57.345 0.129 0.000 1.264 932 W CB -0.526 29.097 29.460 0.272 0.000 1.142 932 W HN 0.123 nan 8.180 nan 0.000 0.512 933 L N 0.566 121.955 121.223 0.276 0.000 2.127 933 L HA -0.187 4.152 4.340 -0.003 0.000 0.211 933 L C 1.952 178.878 176.870 0.094 0.000 1.089 933 L CA 1.856 56.771 54.840 0.125 0.000 0.757 933 L CB -0.831 41.259 42.059 0.051 0.000 0.899 933 L HN 0.062 nan 8.230 nan 0.000 0.434 934 L N -1.531 119.752 121.223 0.100 0.000 2.102 934 L HA 0.045 4.384 4.340 -0.003 0.000 0.202 934 L C 2.556 179.485 176.870 0.099 0.000 1.076 934 L CA 0.952 55.841 54.840 0.082 0.000 0.761 934 L CB -1.485 40.619 42.059 0.074 0.000 0.921 934 L HN 0.374 nan 8.230 nan 0.000 0.444 935 G N 0.477 109.358 108.800 0.135 0.000 2.469 935 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.219 935 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.219 935 G C 1.836 176.827 174.900 0.152 0.000 1.150 935 G CA 1.258 46.455 45.100 0.161 0.000 0.763 935 G HN 0.500 nan 8.290 nan 0.000 0.561 936 S N 0.665 116.462 115.700 0.162 0.000 2.355 936 S HA -0.022 4.446 4.470 -0.003 0.000 0.222 936 S C 2.341 176.992 174.600 0.085 0.000 1.031 936 S CA 1.031 59.297 58.200 0.110 0.000 0.993 936 S CB -0.438 62.812 63.200 0.084 0.000 0.859 936 S HN 0.333 nan 8.310 nan 0.000 0.453 937 I N 1.516 122.134 120.570 0.080 0.000 2.194 937 I HA -0.262 3.906 4.170 -0.003 0.000 0.246 937 I C 2.672 178.842 176.117 0.089 0.000 1.093 937 I CA 1.304 62.651 61.300 0.079 0.000 1.355 937 I CB -0.764 37.277 38.000 0.068 0.000 1.046 937 I HN 0.440 nan 8.210 nan 0.000 0.413 938 C N 0.124 119.471 119.300 0.077 0.000 2.413 938 C HA -0.175 4.283 4.460 -0.003 0.000 0.276 938 C C 2.723 177.760 174.990 0.079 0.000 1.236 938 C CA 0.452 59.507 59.018 0.062 0.000 1.735 938 C CB -1.020 26.748 27.740 0.047 0.000 2.031 938 C HN 0.504 nan 8.230 nan 0.000 0.474 939 L N 1.038 122.313 121.223 0.087 0.000 2.131 939 L HA -0.098 4.240 4.340 -0.003 0.000 0.210 939 L C 2.451 179.395 176.870 0.124 0.000 1.092 939 L CA 1.882 56.779 54.840 0.094 0.000 0.759 939 L CB -0.740 41.367 42.059 0.080 0.000 0.903 939 L HN 0.247 nan 8.230 nan 0.000 0.435 940 S N -1.353 114.423 115.700 0.127 0.000 2.377 940 S HA -0.073 4.395 4.470 -0.003 0.000 0.223 940 S C 1.886 176.646 174.600 0.265 0.000 1.030 940 S CA 1.139 59.438 58.200 0.166 0.000 0.970 940 S CB -0.139 63.133 63.200 0.121 0.000 0.830 940 S HN 0.328 nan 8.310 nan 0.000 0.473 941 M N 2.057 121.802 119.600 0.242 0.000 2.065 941 M HA -0.075 4.404 4.480 -0.003 0.000 0.259 941 M C 2.513 179.042 176.300 0.382 0.000 1.069 941 M CA 1.752 57.255 55.300 0.338 0.000 1.110 941 M CB -1.937 30.780 32.600 0.194 0.000 1.328 941 M HN 0.464 nan 8.290 nan 0.000 0.405 942 S N 0.015 115.832 115.700 0.194 0.000 2.399 942 S HA -0.106 4.362 4.470 -0.003 0.000 0.231 942 S C 2.092 176.868 174.600 0.293 0.000 1.022 942 S CA 1.014 59.314 58.200 0.166 0.000 0.983 942 S CB -0.925 62.319 63.200 0.075 0.000 0.803 942 S HN 0.489 nan 8.310 nan 0.000 0.480 943 L N 0.670 122.081 121.223 0.315 0.000 2.141 943 L HA -0.092 4.246 4.340 -0.003 0.000 0.209 943 L C 2.930 180.046 176.870 0.410 0.000 1.094 943 L CA 1.728 56.791 54.840 0.372 0.000 0.763 943 L CB -0.635 41.686 42.059 0.438 0.000 0.908 943 L HN 0.567 nan 8.230 nan 0.000 0.437 944 H N -0.244 119.040 119.070 0.357 0.000 2.321 944 H HA -0.206 4.348 4.556 -0.003 0.000 0.300 944 H C 2.199 177.627 175.328 0.167 0.000 1.087 944 H CA 1.780 57.984 56.048 0.261 0.000 1.319 944 H CB -0.034 29.932 29.762 0.341 0.000 1.379 944 H HN 0.246 nan 8.280 nan 0.000 0.501 945 F N 0.307 120.274 119.950 0.028 0.000 2.333 945 F HA -0.151 4.374 4.527 -0.003 0.000 0.300 945 F C 2.442 178.279 175.800 0.061 0.000 1.083 945 F CA 0.271 58.268 58.000 -0.004 0.000 1.395 945 F CB -0.008 39.127 39.000 0.225 0.000 1.056 945 F HN 0.198 nan 8.300 nan 0.000 0.529 946 L N 0.959 122.310 121.223 0.212 0.000 2.141 946 L HA -0.109 4.229 4.340 -0.003 0.000 0.209 946 L C 2.015 178.861 176.870 -0.039 0.000 1.094 946 L CA 1.541 56.451 54.840 0.117 0.000 0.763 946 L CB -0.618 41.505 42.059 0.105 0.000 0.908 946 L HN 0.297 nan 8.230 nan 0.000 0.437 947 I N -4.296 116.161 120.570 -0.187 0.000 3.428 947 I HA -0.038 4.131 4.170 -0.003 0.000 0.286 947 I C 1.478 177.466 176.117 -0.214 0.000 1.287 947 I CA 0.672 61.796 61.300 -0.293 0.000 1.396 947 I CB -0.151 37.499 38.000 -0.583 0.000 1.062 947 I HN 0.181 nan 8.210 nan 0.000 0.471 948 L N -0.696 120.365 121.223 -0.269 0.000 2.349 948 L HA 0.100 4.438 4.340 -0.003 0.000 0.200 948 L C 2.257 178.952 176.870 -0.293 0.000 1.064 948 L CA 0.555 55.172 54.840 -0.372 0.000 0.821 948 L CB -0.608 41.045 42.059 -0.677 0.000 1.027 948 L HN 0.085 nan 8.230 nan 0.000 0.476 949 Y N 0.278 120.555 120.300 -0.038 0.000 2.286 949 Y HA -0.017 4.532 4.550 -0.003 0.000 0.293 949 Y C 1.655 177.558 175.900 0.006 0.000 1.124 949 Y CA -0.165 57.940 58.100 0.009 0.000 1.178 949 Y CB -0.629 37.867 38.460 0.059 0.000 1.010 949 Y HN -0.196 nan 8.280 nan 0.000 0.536 950 V N 1.047 121.049 119.914 0.146 0.000 3.996 950 V HA -0.203 3.916 4.120 -0.003 0.000 0.296 950 V C 1.146 177.274 176.094 0.058 0.000 1.074 950 V CA 1.011 63.362 62.300 0.085 0.000 1.132 950 V CB 0.372 32.224 31.823 0.047 0.000 1.161 950 V HN 0.316 nan 8.190 nan 0.000 0.475 951 D N -0.051 120.375 120.400 0.042 0.000 2.597 951 D HA 0.095 4.733 4.640 -0.003 0.000 0.261 951 D C -0.835 175.476 176.300 0.019 0.000 1.023 951 D CA 0.670 54.687 54.000 0.029 0.000 0.927 951 D CB -0.699 40.118 40.800 0.028 0.000 1.168 951 D HN 0.467 nan 8.370 nan 0.000 0.491 952 P HA -0.031 nan 4.420 nan 0.000 0.216 952 P C 2.014 179.333 177.300 0.032 0.000 1.153 952 P CA 0.664 63.778 63.100 0.023 0.000 0.844 952 P CB 0.187 31.905 31.700 0.031 0.000 0.787 953 L N -0.305 120.943 121.223 0.041 0.000 2.079 953 L HA -0.093 4.245 4.340 -0.003 0.000 0.210 953 L C -0.159 176.763 176.870 0.087 0.000 1.081 953 L CA 1.905 56.794 54.840 0.080 0.000 0.752 953 L CB -2.470 39.588 42.059 -0.001 0.000 0.896 953 L HN 0.032 nan 8.230 nan 0.000 0.433 954 P HA -0.229 nan 4.420 nan 0.000 0.216 954 P C 1.865 179.151 177.300 -0.023 0.000 1.150 954 P CA 1.572 64.666 63.100 -0.009 0.000 0.843 954 P CB 0.006 31.690 31.700 -0.026 0.000 0.787 955 M N -1.455 118.130 119.600 -0.025 0.000 2.117 955 M HA -0.142 4.336 4.480 -0.003 0.000 0.262 955 M C 1.736 177.978 176.300 -0.098 0.000 1.065 955 M CA 1.990 57.259 55.300 -0.051 0.000 1.114 955 M CB -0.368 32.209 32.600 -0.038 0.000 1.361 955 M HN -0.142 nan 8.290 nan 0.000 0.408 956 I N -1.302 119.193 120.570 -0.126 0.000 2.480 956 I HA -0.131 4.037 4.170 -0.003 0.000 0.251 956 I C 0.139 175.910 176.117 -0.576 0.000 1.124 956 I CA 0.715 61.808 61.300 -0.345 0.000 1.444 956 I CB 0.070 37.841 38.000 -0.382 0.000 1.098 956 I HN 0.110 nan 8.210 nan 0.000 0.428 957 F N 1.947 121.843 119.950 -0.090 0.000 2.532 957 F HA 0.329 4.855 4.527 -0.003 0.000 0.313 957 F C 0.277 175.996 175.800 -0.136 0.000 1.301 957 F CA -1.044 56.887 58.000 -0.115 0.000 1.154 957 F CB -0.224 38.678 39.000 -0.164 0.000 1.335 957 F HN -0.229 nan 8.300 nan 0.000 0.542 958 K N -0.026 120.359 120.400 -0.025 0.000 2.061 958 K HA -0.204 4.114 4.320 -0.003 0.000 0.519 958 K C -0.729 175.811 176.600 -0.100 0.000 1.621 958 K CA 0.948 57.186 56.287 -0.082 0.000 1.039 958 K CB -0.858 31.572 32.500 -0.117 0.000 1.584 958 K HN 0.443 nan 8.250 nan 0.000 0.770 959 L N -1.207 119.933 121.223 -0.138 0.000 2.322 959 L HA 0.554 4.893 4.340 -0.003 0.000 0.279 959 L C 0.495 177.249 176.870 -0.194 0.000 1.036 959 L CA -0.768 53.986 54.840 -0.143 0.000 0.807 959 L CB 1.249 43.240 42.059 -0.113 0.000 1.226 959 L HN 0.592 nan 8.230 nan 0.000 0.433 960 K N 1.657 121.924 120.400 -0.220 0.000 2.323 960 K HA 0.416 4.734 4.320 -0.003 0.000 0.259 960 K C -0.077 176.405 176.600 -0.197 0.000 0.993 960 K CA 0.219 56.333 56.287 -0.290 0.000 0.866 960 K CB -0.174 32.112 32.500 -0.356 0.000 0.997 960 K HN 0.882 nan 8.250 nan 0.000 0.524 961 A N 0.389 123.106 122.820 -0.171 0.000 2.288 961 A HA 0.495 4.813 4.320 -0.003 0.000 0.328 961 A C -1.089 176.571 177.584 0.127 0.000 1.123 961 A CA -0.988 51.009 52.037 -0.067 0.000 0.861 961 A CB 0.999 19.852 19.000 -0.246 0.000 1.272 961 A HN 0.593 nan 8.150 nan 0.000 0.490 962 L N 0.373 121.698 121.223 0.169 0.000 2.292 962 L HA 0.410 4.748 4.340 -0.003 0.000 0.284 962 L C 0.166 177.243 176.870 0.345 0.000 1.065 962 L CA -0.001 54.969 54.840 0.216 0.000 0.806 962 L CB 0.697 42.863 42.059 0.179 0.000 1.175 962 L HN 0.700 nan 8.230 nan 0.000 0.431 963 D N 3.740 124.351 120.400 0.351 0.000 2.234 963 D HA -0.057 4.581 4.640 -0.003 0.000 0.205 963 D C 1.758 178.243 176.300 0.307 0.000 0.962 963 D CA 1.356 55.591 54.000 0.392 0.000 0.855 963 D CB 0.275 41.212 40.800 0.228 0.000 0.951 963 D HN 0.596 nan 8.370 nan 0.000 0.500 964 L N 0.319 121.678 121.223 0.226 0.000 2.249 964 L HA 0.011 4.349 4.340 -0.003 0.000 0.207 964 L C 2.363 179.347 176.870 0.191 0.000 1.090 964 L CA 1.224 56.172 54.840 0.180 0.000 0.802 964 L CB -0.236 41.902 42.059 0.131 0.000 0.947 964 L HN 0.082 nan 8.230 nan 0.000 0.453 965 T N -5.050 109.631 114.554 0.213 0.000 3.085 965 T HA 0.022 4.370 4.350 -0.003 0.000 0.241 965 T C 1.768 176.621 174.700 0.255 0.000 0.988 965 T CA -0.169 62.060 62.100 0.216 0.000 1.117 965 T CB -0.045 68.952 68.868 0.214 0.000 0.978 965 T HN 0.098 nan 8.240 nan 0.000 0.454 966 Q N -0.007 119.959 119.800 0.278 0.000 2.084 966 Q HA -0.032 4.306 4.340 -0.003 0.000 0.202 966 Q C 1.942 178.020 176.000 0.131 0.000 0.978 966 Q CA 1.593 57.551 55.803 0.260 0.000 0.844 966 Q CB -0.203 28.648 28.738 0.190 0.000 0.898 966 Q HN 0.616 nan 8.270 nan 0.000 0.426 967 W N 0.736 122.107 121.300 0.118 0.000 2.407 967 W HA -0.046 4.612 4.660 -0.003 0.000 0.305 967 W C 1.923 178.485 176.519 0.072 0.000 1.196 967 W CA 0.542 57.947 57.345 0.099 0.000 1.311 967 W CB -0.097 29.440 29.460 0.129 0.000 1.135 967 W HN 0.059 nan 8.180 nan 0.000 0.514 968 L N -0.122 121.299 121.223 0.331 0.000 2.187 968 L HA -0.280 4.058 4.340 -0.003 0.000 0.213 968 L C 2.365 179.287 176.870 0.086 0.000 1.100 968 L CA 1.063 56.021 54.840 0.197 0.000 0.765 968 L CB -0.721 41.425 42.059 0.146 0.000 0.904 968 L HN 0.125 nan 8.230 nan 0.000 0.437 969 M N -0.090 119.515 119.600 0.008 0.000 2.065 969 M HA -0.164 4.314 4.480 -0.003 0.000 0.259 969 M C 2.163 178.372 176.300 -0.152 0.000 1.069 969 M CA 1.910 57.085 55.300 -0.208 0.000 1.110 969 M CB -0.489 31.817 32.600 -0.490 0.000 1.328 969 M HN -0.047 nan 8.290 nan 0.000 0.405 970 V N 0.622 120.487 119.914 -0.080 0.000 2.250 970 V HA -0.355 3.763 4.120 -0.003 0.000 0.250 970 V C 2.498 178.625 176.094 0.056 0.000 1.060 970 V CA 2.400 64.673 62.300 -0.044 0.000 1.030 970 V CB -1.177 30.599 31.823 -0.078 0.000 0.643 970 V HN 0.594 nan 8.190 nan 0.000 0.445 971 L N 0.382 121.691 121.223 0.143 0.000 1.994 971 L HA -0.217 4.122 4.340 -0.003 0.000 0.208 971 L C 2.586 179.506 176.870 0.083 0.000 1.071 971 L CA 2.280 57.208 54.840 0.145 0.000 0.745 971 L CB -0.862 41.299 42.059 0.169 0.000 0.892 971 L HN 0.457 nan 8.230 nan 0.000 0.431 972 K N 0.136 120.561 120.400 0.042 0.000 2.519 972 K HA -0.086 4.232 4.320 -0.003 0.000 0.196 972 K C 1.595 178.208 176.600 0.021 0.000 1.041 972 K CA 1.207 57.507 56.287 0.021 0.000 0.954 972 K CB -0.181 32.311 32.500 -0.014 0.000 0.774 972 K HN 0.396 nan 8.250 nan 0.000 0.480 973 I N 1.078 121.659 120.570 0.018 0.000 2.729 973 I HA -0.152 4.016 4.170 -0.003 0.000 0.256 973 I C 2.388 178.592 176.117 0.145 0.000 1.115 973 I CA 0.606 61.927 61.300 0.034 0.000 1.446 973 I CB -0.013 37.955 38.000 -0.053 0.000 1.176 973 I HN 0.284 nan 8.210 nan 0.000 0.446 974 S N 1.836 117.613 115.700 0.128 0.000 2.317 974 S HA -0.040 4.428 4.470 -0.003 0.000 0.212 974 S C 2.052 176.747 174.600 0.158 0.000 1.030 974 S CA 0.465 58.772 58.200 0.177 0.000 0.970 974 S CB -1.104 62.180 63.200 0.141 0.000 0.928 974 S HN 0.282 nan 8.310 nan 0.000 0.451 975 L N 2.058 123.351 121.223 0.117 0.000 2.186 975 L HA -0.164 4.174 4.340 -0.003 0.000 0.221 975 L C -0.642 176.256 176.870 0.046 0.000 1.087 975 L CA 1.816 56.705 54.840 0.082 0.000 0.794 975 L CB -2.151 39.953 42.059 0.076 0.000 0.893 975 L HN 0.320 nan 8.230 nan 0.000 0.442 976 P HA -0.125 nan 4.420 nan 0.000 0.221 976 P C 1.845 179.059 177.300 -0.142 0.000 1.145 976 P CA 0.872 63.958 63.100 -0.023 0.000 0.795 976 P CB 0.048 31.762 31.700 0.023 0.000 0.775 977 V N 0.092 119.923 119.914 -0.138 0.000 2.231 977 V HA -0.288 3.830 4.120 -0.003 0.000 0.248 977 V C 2.293 178.315 176.094 -0.120 0.000 1.054 977 V CA 1.874 64.043 62.300 -0.219 0.000 1.015 977 V CB -1.224 30.584 31.823 -0.024 0.000 0.638 977 V HN 0.098 nan 8.190 nan 0.000 0.444 978 I N 0.748 121.294 120.570 -0.040 0.000 2.229 978 I HA -0.283 3.885 4.170 -0.003 0.000 0.250 978 I C 2.472 178.571 176.117 -0.030 0.000 1.096 978 I CA 1.835 63.125 61.300 -0.017 0.000 1.358 978 I CB -0.972 37.031 38.000 0.005 0.000 1.047 978 I HN 0.456 nan 8.210 nan 0.000 0.422 979 G N 1.016 109.786 108.800 -0.051 0.000 2.404 979 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.214 979 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.214 979 G C 1.588 176.454 174.900 -0.057 0.000 1.189 979 G CA 0.540 45.612 45.100 -0.046 0.000 0.789 979 G HN 0.288 nan 8.290 nan 0.000 0.533 980 L N 1.126 122.276 121.223 -0.121 0.000 2.051 980 L HA -0.122 4.216 4.340 -0.003 0.000 0.214 980 L C 1.990 178.826 176.870 -0.057 0.000 1.076 980 L CA 2.762 57.525 54.840 -0.128 0.000 0.758 980 L CB -0.754 41.134 42.059 -0.285 0.000 0.890 980 L HN 0.244 nan 8.230 nan 0.000 0.433 981 D N -1.030 119.339 120.400 -0.051 0.000 2.091 981 D HA -0.150 4.488 4.640 -0.003 0.000 0.199 981 D C 2.030 178.357 176.300 0.045 0.000 0.980 981 D CA 0.941 54.935 54.000 -0.009 0.000 0.831 981 D CB 0.014 40.811 40.800 -0.006 0.000 0.987 981 D HN 0.335 nan 8.370 nan 0.000 0.460 982 E N 0.129 120.353 120.200 0.039 0.000 2.171 982 E HA -0.174 4.175 4.350 -0.003 0.000 0.197 982 E C 2.351 179.027 176.600 0.127 0.000 0.997 982 E CA 0.584 57.028 56.400 0.073 0.000 0.810 982 E CB -0.172 29.552 29.700 0.040 0.000 0.738 982 E HN 0.502 nan 8.360 nan 0.000 0.467 983 I N 0.425 121.054 120.570 0.097 0.000 2.163 983 I HA -0.257 3.911 4.170 -0.003 0.000 0.240 983 I C 2.429 178.696 176.117 0.251 0.000 1.081 983 I CA 0.846 62.227 61.300 0.135 0.000 1.353 983 I CB -0.267 37.779 38.000 0.076 0.000 1.054 983 I HN 0.039 nan 8.210 nan 0.000 0.407 984 L N 0.347 121.713 121.223 0.237 0.000 2.201 984 L HA -0.165 4.173 4.340 -0.003 0.000 0.212 984 L C 2.501 179.629 176.870 0.431 0.000 1.105 984 L CA 1.188 56.263 54.840 0.391 0.000 0.775 984 L CB -0.478 41.706 42.059 0.208 0.000 0.913 984 L HN 0.191 nan 8.230 nan 0.000 0.440 985 K N -0.247 120.313 120.400 0.266 0.000 2.007 985 K HA -0.174 4.144 4.320 -0.003 0.000 0.206 985 K C 2.054 178.770 176.600 0.193 0.000 1.047 985 K CA 1.357 57.772 56.287 0.213 0.000 0.937 985 K CB -0.245 32.337 32.500 0.136 0.000 0.718 985 K HN 0.065 nan 8.250 nan 0.000 0.438 986 F N 2.164 122.163 119.950 0.082 0.000 2.236 986 F HA -0.216 4.310 4.527 -0.003 0.000 0.302 986 F C 1.494 177.311 175.800 0.028 0.000 1.073 986 F CA 0.981 59.009 58.000 0.047 0.000 1.336 986 F CB -0.014 39.009 39.000 0.039 0.000 1.040 986 F HN -0.034 nan 8.300 nan 0.000 0.507 987 I N 0.701 121.343 120.570 0.120 0.000 2.953 987 I HA -0.231 3.937 4.170 -0.003 0.000 0.271 987 I C 2.494 178.446 176.117 -0.275 0.000 1.286 987 I CA 1.107 62.361 61.300 -0.077 0.000 1.449 987 I CB -2.490 35.459 38.000 -0.085 0.000 1.086 987 I HN 0.280 nan 8.210 nan 0.000 0.483 988 A N 0.685 123.375 122.820 -0.216 0.000 2.119 988 A HA -0.085 4.233 4.320 -0.003 0.000 0.217 988 A C 2.430 179.883 177.584 -0.218 0.000 1.153 988 A CA 0.656 52.586 52.037 -0.178 0.000 0.692 988 A CB -0.356 18.592 19.000 -0.087 0.000 0.799 988 A HN 0.330 nan 8.150 nan 0.000 0.458 989 R N -0.439 119.815 120.500 -0.410 0.000 2.210 989 R HA 0.066 4.404 4.340 -0.003 0.000 0.203 989 R C 0.954 177.077 176.300 -0.295 0.000 1.010 989 R CA 0.644 56.492 56.100 -0.420 0.000 1.008 989 R CB -0.038 29.815 30.300 -0.745 0.000 0.923 989 R HN 0.430 nan 8.270 nan 0.000 0.469 990 N N -0.274 118.267 118.700 -0.265 0.000 2.463 990 N HA -0.082 4.656 4.740 -0.003 0.000 0.181 990 N C 0.042 175.499 175.510 -0.089 0.000 1.078 990 N CA 0.611 53.574 53.050 -0.145 0.000 0.902 990 N CB 0.224 38.647 38.487 -0.106 0.000 0.970 990 N HN 0.108 nan 8.380 nan 0.000 0.451 991 Y N 0.257 120.407 120.300 -0.249 0.000 2.593 991 Y HA 0.334 4.882 4.550 -0.003 0.000 0.330 991 Y C 1.120 176.922 175.900 -0.163 0.000 1.223 991 Y CA -0.520 57.449 58.100 -0.219 0.000 1.350 991 Y CB 0.636 38.934 38.460 -0.270 0.000 1.499 991 Y HN -0.252 nan 8.280 nan 0.000 0.554 992 L N 0.613 121.270 121.223 -0.942 0.000 2.693 992 L HA 0.311 4.649 4.340 -0.003 0.000 0.235 992 L C -0.479 176.206 176.870 -0.307 0.000 1.127 992 L CA 0.242 54.744 54.840 -0.564 0.000 0.914 992 L CB 0.184 41.881 42.059 -0.604 0.000 1.193 992 L HN 0.493 nan 8.230 nan 0.000 0.502 993 E N 0.591 120.741 120.200 -0.083 0.000 2.113 993 E HA 0.476 4.824 4.350 -0.003 0.000 0.273 993 E C 0.016 176.650 176.600 0.056 0.000 0.924 993 E CA -0.353 56.095 56.400 0.080 0.000 0.764 993 E CB 1.754 31.616 29.700 0.271 0.000 1.104 993 E HN 0.175 nan 8.360 nan 0.000 0.406 994 G N 0.000 108.804 108.800 0.007 0.000 5.446 994 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 994 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 994 G CA 0.000 45.097 45.100 -0.004 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925