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 3b9b_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 0.000 176.178 176.300 -0.203 0.000 1.140 1 M CA 0.000 55.090 55.300 -0.351 0.000 0.988 1 M CB 0.000 32.329 32.600 -0.452 0.000 1.302 2 E N 3.177 123.248 120.200 -0.214 0.000 2.290 2 E HA 0.428 4.774 4.350 -0.007 0.000 0.277 2 E C 0.286 176.811 176.600 -0.125 0.000 1.035 2 E CA 1.003 57.342 56.400 -0.101 0.000 0.873 2 E CB 1.232 30.898 29.700 -0.057 0.000 1.029 2 E HN 0.953 nan 8.360 nan 0.000 0.419 3 A N 3.500 126.287 122.820 -0.054 0.000 2.362 3 A HA -0.254 4.062 4.320 -0.007 0.000 0.290 3 A C 1.486 178.901 177.584 -0.281 0.000 1.441 3 A CA 0.917 52.856 52.037 -0.163 0.000 0.743 3 A CB -1.625 17.212 19.000 -0.273 0.000 1.125 3 A HN 0.720 nan 8.150 nan 0.000 0.378 4 A N 1.200 123.952 122.820 -0.114 0.000 2.019 4 A HA -0.134 4.182 4.320 -0.007 0.000 0.219 4 A C 1.845 179.377 177.584 -0.086 0.000 1.164 4 A CA 1.900 53.877 52.037 -0.100 0.000 0.644 4 A CB -0.877 18.105 19.000 -0.031 0.000 0.805 4 A HN 1.579 nan 8.150 nan 0.000 0.449 5 H N -0.038 119.025 119.070 -0.011 0.000 2.456 5 H HA -0.079 4.473 4.556 -0.007 0.000 0.296 5 H C 1.763 177.104 175.328 0.022 0.000 1.079 5 H CA 1.717 57.766 56.048 0.002 0.000 1.322 5 H CB -0.628 29.150 29.762 0.026 0.000 1.388 5 H HN 0.549 nan 8.280 nan 0.000 0.538 6 S N -0.366 114.993 115.700 -0.567 0.000 2.558 6 S HA 0.118 4.584 4.470 -0.007 0.000 0.217 6 S C 1.024 175.549 174.600 -0.126 0.000 0.975 6 S CA -0.294 57.735 58.200 -0.285 0.000 0.912 6 S CB 0.358 63.338 63.200 -0.367 0.000 0.776 6 S HN 0.096 nan 8.310 nan 0.000 0.526 7 K N 2.447 122.775 120.400 -0.119 0.000 2.868 7 K HA 0.576 4.892 4.320 -0.007 0.000 0.304 7 K C 0.545 177.141 176.600 -0.007 0.000 1.007 7 K CA -0.195 56.059 56.287 -0.055 0.000 1.123 7 K CB 0.291 32.753 32.500 -0.063 0.000 1.408 7 K HN 0.360 nan 8.250 nan 0.000 0.522 8 S N -2.321 113.384 115.700 0.009 0.000 2.709 8 S HA 0.289 4.755 4.470 -0.007 0.000 0.302 8 S C 0.967 175.588 174.600 0.035 0.000 1.127 8 S CA -0.082 58.135 58.200 0.028 0.000 0.905 8 S CB 0.991 64.208 63.200 0.029 0.000 1.151 8 S HN 0.599 nan 8.310 nan 0.000 0.510 9 T N -0.003 114.575 114.554 0.040 0.000 2.652 9 T HA -0.156 4.190 4.350 -0.007 0.000 0.267 9 T C 1.310 176.043 174.700 0.054 0.000 1.039 9 T CA 1.893 64.019 62.100 0.043 0.000 1.153 9 T CB -1.086 67.805 68.868 0.037 0.000 0.863 9 T HN 0.698 nan 8.240 nan 0.000 0.428 10 E N 1.701 121.930 120.200 0.048 0.000 2.038 10 E HA -0.111 4.236 4.350 -0.007 0.000 0.195 10 E C 2.340 178.981 176.600 0.069 0.000 1.000 10 E CA 1.492 57.924 56.400 0.053 0.000 0.803 10 E CB -0.443 29.281 29.700 0.040 0.000 0.750 10 E HN 0.671 nan 8.360 nan 0.000 0.448 11 E N -0.268 119.967 120.200 0.058 0.000 2.233 11 E HA -0.231 4.115 4.350 -0.007 0.000 0.199 11 E C 1.884 178.546 176.600 0.102 0.000 1.004 11 E CA 1.193 57.633 56.400 0.066 0.000 0.819 11 E CB -0.176 29.547 29.700 0.038 0.000 0.738 11 E HN 0.318 nan 8.360 nan 0.000 0.478 12 C N -0.113 119.250 119.300 0.104 0.000 2.519 12 C HA 0.051 4.507 4.460 -0.007 0.000 0.281 12 C C 2.550 177.708 174.990 0.280 0.000 1.331 12 C CA -0.169 58.945 59.018 0.160 0.000 1.725 12 C CB -0.705 27.106 27.740 0.118 0.000 2.079 12 C HN 0.385 nan 8.230 nan 0.000 0.496 13 L N 1.406 122.747 121.223 0.197 0.000 1.970 13 L HA -0.197 4.139 4.340 -0.007 0.000 0.212 13 L C 2.937 179.935 176.870 0.213 0.000 1.071 13 L CA 1.835 56.795 54.840 0.199 0.000 0.751 13 L CB -0.930 41.198 42.059 0.115 0.000 0.889 13 L HN 0.355 nan 8.230 nan 0.000 0.432 14 A N -0.417 122.493 122.820 0.150 0.000 1.881 14 A HA -0.372 3.944 4.320 -0.007 0.000 0.219 14 A C 2.192 179.850 177.584 0.123 0.000 1.215 14 A CA 2.355 54.459 52.037 0.113 0.000 0.648 14 A CB -1.398 17.650 19.000 0.080 0.000 0.832 14 A HN 0.529 nan 8.150 nan 0.000 0.455 15 Y N -0.832 119.467 120.300 -0.003 0.000 2.132 15 Y HA -0.283 4.263 4.550 -0.007 0.000 0.280 15 Y C 1.798 177.582 175.900 -0.194 0.000 1.193 15 Y CA 2.378 60.395 58.100 -0.139 0.000 1.157 15 Y CB -0.393 37.914 38.460 -0.255 0.000 0.966 15 Y HN 0.295 nan 8.280 nan 0.000 0.511 16 F N -0.593 119.528 119.950 0.285 0.000 2.746 16 F HA 0.285 4.808 4.527 -0.007 0.000 0.297 16 F C 1.668 177.563 175.800 0.160 0.000 1.113 16 F CA 0.475 58.631 58.000 0.260 0.000 1.367 16 F CB 0.058 39.257 39.000 0.332 0.000 1.111 16 F HN 0.062 nan 8.300 nan 0.000 0.590 17 G N 1.988 110.935 108.800 0.245 0.000 2.351 17 G HA2 -0.175 3.781 3.960 -0.007 0.000 0.297 17 G HA3 -0.175 3.781 3.960 -0.007 0.000 0.297 17 G C -0.500 174.485 174.900 0.141 0.000 1.054 17 G CA 0.171 45.360 45.100 0.148 0.000 1.123 17 G HN 0.190 nan 8.290 nan 0.000 0.512 18 V N -0.640 119.361 119.914 0.144 0.000 3.126 18 V HA 0.846 4.962 4.120 -0.007 0.000 0.314 18 V C 0.520 176.651 176.094 0.060 0.000 1.138 18 V CA -0.356 61.999 62.300 0.092 0.000 1.034 18 V CB 2.100 33.976 31.823 0.089 0.000 1.075 18 V HN 0.686 nan 8.190 nan 0.000 0.442 19 S N -0.087 115.632 115.700 0.031 0.000 2.442 19 S HA 0.237 4.704 4.470 -0.007 0.000 0.297 19 S C 0.787 175.388 174.600 0.002 0.000 1.131 19 S CA -0.398 57.811 58.200 0.014 0.000 1.092 19 S CB 1.007 64.208 63.200 0.001 0.000 0.998 19 S HN 0.901 nan 8.310 nan 0.000 0.478 20 E N 2.996 123.196 120.200 -0.001 0.000 2.401 20 E HA -0.098 4.248 4.350 -0.007 0.000 0.199 20 E C 0.734 177.298 176.600 -0.060 0.000 1.023 20 E CA 1.068 57.458 56.400 -0.017 0.000 0.859 20 E CB 0.165 29.859 29.700 -0.010 0.000 0.780 20 E HN 0.726 nan 8.360 nan 0.000 0.523 21 T N -1.183 113.336 114.554 -0.059 0.000 3.021 21 T HA -0.063 4.283 4.350 -0.007 0.000 0.245 21 T C 1.869 176.505 174.700 -0.106 0.000 1.028 21 T CA 1.357 63.400 62.100 -0.095 0.000 1.139 21 T CB 0.159 68.989 68.868 -0.063 0.000 0.884 21 T HN 0.337 nan 8.240 nan 0.000 0.457 22 T N -1.063 113.458 114.554 -0.054 0.000 3.038 22 T HA 0.516 4.863 4.350 -0.007 0.000 0.244 22 T C 1.168 175.872 174.700 0.006 0.000 1.016 22 T CA 0.992 63.075 62.100 -0.029 0.000 1.098 22 T CB 0.028 68.888 68.868 -0.013 0.000 0.954 22 T HN 0.633 nan 8.240 nan 0.000 0.469 23 G N 1.251 110.054 108.800 0.005 0.000 2.631 23 G HA2 -0.034 3.922 3.960 -0.007 0.000 0.504 23 G HA3 -0.034 3.922 3.960 -0.007 0.000 0.504 23 G C -0.714 174.179 174.900 -0.010 0.000 1.306 23 G CA -0.536 44.574 45.100 0.016 0.000 0.897 23 G HN 0.632 nan 8.290 nan 0.000 0.520 24 L N 0.725 121.923 121.223 -0.042 0.000 2.479 24 L HA 0.459 4.795 4.340 -0.007 0.000 0.270 24 L C 1.755 178.594 176.870 -0.051 0.000 1.236 24 L CA 0.449 55.240 54.840 -0.082 0.000 0.823 24 L CB 0.425 42.385 42.059 -0.165 0.000 1.098 24 L HN 1.057 nan 8.230 nan 0.000 0.500 25 T N -2.478 112.044 114.554 -0.053 0.000 2.943 25 T HA 0.343 4.689 4.350 -0.007 0.000 0.284 25 T C -2.065 172.618 174.700 -0.028 0.000 1.015 25 T CA -1.982 60.102 62.100 -0.026 0.000 1.042 25 T CB 1.783 70.645 68.868 -0.010 0.000 1.055 25 T HN 0.301 nan 8.240 nan 0.000 0.500 26 P HA -0.013 nan 4.420 nan 0.000 0.222 26 P C 0.844 178.148 177.300 0.007 0.000 1.147 26 P CA 0.848 63.946 63.100 -0.004 0.000 0.790 26 P CB 0.059 31.760 31.700 0.002 0.000 0.780 27 D N -0.873 119.533 120.400 0.009 0.000 2.123 27 D HA -0.141 4.495 4.640 -0.007 0.000 0.200 27 D C 2.032 178.356 176.300 0.039 0.000 0.976 27 D CA 1.090 55.106 54.000 0.025 0.000 0.831 27 D CB -0.293 40.522 40.800 0.025 0.000 0.974 27 D HN 0.065 nan 8.370 nan 0.000 0.469 28 Q N -0.303 119.500 119.800 0.006 0.000 2.061 28 Q HA -0.133 4.203 4.340 -0.007 0.000 0.204 28 Q C 2.345 178.303 176.000 -0.071 0.000 0.984 28 Q CA 1.350 57.127 55.803 -0.043 0.000 0.846 28 Q CB -0.012 28.623 28.738 -0.173 0.000 0.902 28 Q HN 0.220 nan 8.270 nan 0.000 0.421 29 V N 1.243 121.118 119.914 -0.065 0.000 2.231 29 V HA -0.343 3.773 4.120 -0.007 0.000 0.248 29 V C 2.267 178.417 176.094 0.092 0.000 1.054 29 V CA 2.160 64.460 62.300 0.000 0.000 1.015 29 V CB -0.637 31.183 31.823 -0.005 0.000 0.638 29 V HN 0.356 nan 8.190 nan 0.000 0.444 30 K N -0.377 120.066 120.400 0.072 0.000 2.052 30 K HA -0.275 4.042 4.320 -0.007 0.000 0.215 30 K C 2.394 179.060 176.600 0.109 0.000 1.053 30 K CA 2.132 58.468 56.287 0.082 0.000 0.934 30 K CB -0.174 32.359 32.500 0.057 0.000 0.717 30 K HN 0.390 nan 8.250 nan 0.000 0.450 31 R N -0.844 119.736 120.500 0.133 0.000 2.082 31 R HA -0.128 4.208 4.340 -0.007 0.000 0.228 31 R C 2.377 178.781 176.300 0.173 0.000 1.140 31 R CA 1.894 58.076 56.100 0.136 0.000 0.920 31 R CB -0.844 29.554 30.300 0.163 0.000 0.828 31 R HN 0.353 nan 8.270 nan 0.000 0.430 32 H N 0.584 119.722 119.070 0.114 0.000 2.368 32 H HA -0.206 4.346 4.556 -0.007 0.000 0.292 32 H C 1.798 177.285 175.328 0.265 0.000 1.117 32 H CA 1.817 58.019 56.048 0.257 0.000 1.231 32 H CB -0.320 29.628 29.762 0.310 0.000 1.359 32 H HN 0.073 nan 8.280 nan 0.000 0.490 33 L N 1.089 122.494 121.223 0.302 0.000 2.027 33 L HA -0.108 4.228 4.340 -0.007 0.000 0.206 33 L C 1.793 178.758 176.870 0.158 0.000 1.074 33 L CA 1.812 56.800 54.840 0.247 0.000 0.745 33 L CB -0.655 41.530 42.059 0.210 0.000 0.898 33 L HN 0.328 nan 8.230 nan 0.000 0.433 34 E N -0.628 119.621 120.200 0.083 0.000 2.152 34 E HA -0.240 4.106 4.350 -0.007 0.000 0.192 34 E C 2.021 178.590 176.600 -0.052 0.000 0.983 34 E CA 0.961 57.369 56.400 0.013 0.000 0.818 34 E CB -0.016 29.688 29.700 0.006 0.000 0.758 34 E HN 0.481 nan 8.360 nan 0.000 0.467 35 K N 0.363 120.679 120.400 -0.140 0.000 2.103 35 K HA -0.129 4.187 4.320 -0.007 0.000 0.204 35 K C 1.253 177.643 176.600 -0.349 0.000 1.052 35 K CA 1.261 57.338 56.287 -0.351 0.000 0.945 35 K CB 0.072 32.178 32.500 -0.656 0.000 0.722 35 K HN 0.148 nan 8.250 nan 0.000 0.443 36 Y N -0.659 119.674 120.300 0.054 0.000 2.535 36 Y HA 0.287 4.833 4.550 -0.007 0.000 0.266 36 Y C 1.078 177.016 175.900 0.062 0.000 1.088 36 Y CA -0.085 58.053 58.100 0.064 0.000 1.285 36 Y CB 1.185 39.700 38.460 0.091 0.000 1.166 36 Y HN 0.289 nan 8.280 nan 0.000 0.525 37 G N 0.436 109.356 108.800 0.200 0.000 2.660 37 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.247 37 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.247 37 G C -1.038 174.008 174.900 0.243 0.000 1.328 37 G CA -0.786 44.387 45.100 0.121 0.000 0.884 37 G HN 0.455 nan 8.290 nan 0.000 0.531 38 H N 0.677 119.788 119.070 0.068 0.000 2.723 38 H HA 0.299 4.852 4.556 -0.007 0.000 0.294 38 H C 0.861 176.214 175.328 0.042 0.000 1.079 38 H CA -0.293 55.786 56.048 0.051 0.000 1.411 38 H CB 0.797 30.579 29.762 0.034 0.000 1.439 38 H HN 0.520 nan 8.280 nan 0.000 0.474 39 N N 4.707 123.489 118.700 0.138 0.000 2.309 39 N HA -0.120 4.616 4.740 -0.007 0.000 0.293 39 N C -0.740 174.805 175.510 0.058 0.000 1.327 39 N CA 0.570 53.662 53.050 0.069 0.000 1.054 39 N CB -0.262 38.238 38.487 0.022 0.000 1.474 39 N HN 0.793 nan 8.380 nan 0.000 0.486 40 E N 0.982 121.223 120.200 0.069 0.000 2.427 40 E HA 0.289 4.635 4.350 -0.007 0.000 0.279 40 E C -1.376 175.252 176.600 0.047 0.000 1.120 40 E CA -0.960 55.472 56.400 0.052 0.000 0.869 40 E CB 0.242 29.980 29.700 0.063 0.000 1.393 40 E HN 0.102 nan 8.360 nan 0.000 0.443 41 L N 0.369 121.612 121.223 0.033 0.000 2.375 41 L HA 0.586 4.922 4.340 -0.007 0.000 0.268 41 L C -2.040 174.845 176.870 0.024 0.000 1.058 41 L CA -2.160 52.695 54.840 0.025 0.000 0.803 41 L CB 0.500 42.569 42.059 0.015 0.000 1.212 41 L HN 0.501 nan 8.230 nan 0.000 0.451 42 P HA 0.124 nan 4.420 nan 0.000 0.272 42 P C -0.738 176.567 177.300 0.007 0.000 1.223 42 P CA -0.474 62.633 63.100 0.012 0.000 0.784 42 P CB 0.494 32.197 31.700 0.006 0.000 0.923 43 A N 1.728 124.551 122.820 0.005 0.000 2.580 43 A HA -0.065 4.251 4.320 -0.007 0.000 0.244 43 A C 0.662 178.242 177.584 -0.007 0.000 1.045 43 A CA 0.047 52.084 52.037 0.001 0.000 0.761 43 A CB -0.733 18.267 19.000 -0.000 0.000 0.962 43 A HN 0.658 nan 8.150 nan 0.000 0.512 44 E N 2.147 122.341 120.200 -0.010 0.000 2.653 44 E HA -0.106 4.240 4.350 -0.007 0.000 0.264 44 E C 0.395 176.981 176.600 -0.023 0.000 0.949 44 E CA 0.470 56.860 56.400 -0.017 0.000 0.953 44 E CB 0.284 29.971 29.700 -0.021 0.000 0.925 44 E HN 0.716 nan 8.360 nan 0.000 0.475 45 E N 2.663 122.848 120.200 -0.026 0.000 2.515 45 E HA -0.046 4.301 4.350 -0.007 0.000 0.201 45 E C 0.621 177.195 176.600 -0.043 0.000 1.071 45 E CA 0.323 56.705 56.400 -0.031 0.000 0.880 45 E CB -0.003 29.680 29.700 -0.028 0.000 0.828 45 E HN 0.582 nan 8.360 nan 0.000 0.540 46 G N 2.808 111.581 108.800 -0.046 0.000 2.843 46 G HA2 -0.059 3.897 3.960 -0.007 0.000 0.275 46 G HA3 -0.059 3.897 3.960 -0.007 0.000 0.275 46 G C -0.105 174.750 174.900 -0.075 0.000 0.709 46 G CA -0.163 44.901 45.100 -0.060 0.000 2.089 46 G HN 0.147 nan 8.290 nan 0.000 0.571 47 K N 0.118 120.465 120.400 -0.089 0.000 2.832 47 K HA 0.334 4.651 4.320 -0.007 0.000 0.243 47 K C -0.737 175.771 176.600 -0.153 0.000 1.117 47 K CA -0.606 55.606 56.287 -0.125 0.000 1.068 47 K CB 0.714 33.154 32.500 -0.100 0.000 1.286 47 K HN 0.008 nan 8.250 nan 0.000 0.553 48 S N 3.227 118.812 115.700 -0.192 0.000 2.474 48 S HA 0.167 4.634 4.470 -0.007 0.000 0.276 48 S C 0.054 174.459 174.600 -0.326 0.000 1.227 48 S CA -0.778 57.302 58.200 -0.199 0.000 1.050 48 S CB 0.505 63.603 63.200 -0.171 0.000 0.939 48 S HN 0.557 nan 8.310 nan 0.000 0.490 49 L N 3.357 124.438 121.223 -0.237 0.000 2.472 49 L HA 0.257 4.593 4.340 -0.007 0.000 0.260 49 L C 0.766 177.508 176.870 -0.213 0.000 1.209 49 L CA 0.029 54.715 54.840 -0.257 0.000 0.817 49 L CB 0.054 42.098 42.059 -0.026 0.000 1.106 49 L HN 0.761 nan 8.230 nan 0.000 0.479 50 W N 0.542 121.859 121.300 0.028 0.000 2.848 50 W HA -0.022 4.635 4.660 -0.007 0.000 0.241 50 W C 1.052 177.598 176.519 0.045 0.000 1.289 50 W CA 0.083 57.450 57.345 0.038 0.000 1.396 50 W CB -0.159 29.325 29.460 0.039 0.000 1.138 50 W HN 0.635 nan 8.180 nan 0.000 0.677 51 E N 0.230 120.555 120.200 0.208 0.000 2.489 51 E HA 0.038 4.384 4.350 -0.007 0.000 0.193 51 E C 1.952 178.610 176.600 0.096 0.000 1.057 51 E CA 0.239 56.725 56.400 0.144 0.000 0.866 51 E CB -0.056 29.712 29.700 0.113 0.000 0.916 51 E HN 0.355 nan 8.360 nan 0.000 0.500 52 L N 0.467 121.725 121.223 0.058 0.000 2.599 52 L HA 0.002 4.338 4.340 -0.007 0.000 0.230 52 L C 1.822 178.726 176.870 0.055 0.000 1.141 52 L CA 0.154 55.011 54.840 0.028 0.000 0.877 52 L CB 0.002 42.041 42.059 -0.033 0.000 1.009 52 L HN -0.025 nan 8.230 nan 0.000 0.447 53 V N 0.303 120.284 119.914 0.111 0.000 2.759 53 V HA -0.206 3.910 4.120 -0.007 0.000 0.256 53 V C 2.026 178.242 176.094 0.204 0.000 1.080 53 V CA 1.228 63.613 62.300 0.142 0.000 1.101 53 V CB -0.196 31.751 31.823 0.207 0.000 0.698 53 V HN 0.398 nan 8.190 nan 0.000 0.477 54 I N -0.415 120.274 120.570 0.197 0.000 3.646 54 I HA -0.005 4.161 4.170 -0.007 0.000 0.301 54 I C 1.910 178.122 176.117 0.160 0.000 1.276 54 I CA 0.678 62.118 61.300 0.232 0.000 1.254 54 I CB -0.271 37.818 38.000 0.147 0.000 1.020 54 I HN 0.386 nan 8.210 nan 0.000 0.473 55 E N 0.439 120.695 120.200 0.093 0.000 2.364 55 E HA -0.039 4.307 4.350 -0.007 0.000 0.196 55 E C 1.646 178.249 176.600 0.005 0.000 0.990 55 E CA 0.121 56.549 56.400 0.046 0.000 0.886 55 E CB 0.310 30.020 29.700 0.017 0.000 0.866 55 E HN 0.404 nan 8.360 nan 0.000 0.493 56 Q N -0.408 119.361 119.800 -0.052 0.000 2.436 56 Q HA -0.034 4.303 4.340 -0.007 0.000 0.209 56 Q C 0.267 176.052 176.000 -0.358 0.000 0.965 56 Q CA 0.746 56.420 55.803 -0.215 0.000 0.910 56 Q CB 0.134 28.686 28.738 -0.309 0.000 0.980 56 Q HN 0.213 nan 8.270 nan 0.000 0.491 57 F N 0.229 120.192 119.950 0.022 0.000 2.942 57 F HA 0.228 4.751 4.527 -0.007 0.000 0.324 57 F C 0.997 176.808 175.800 0.017 0.000 1.265 57 F CA -0.208 57.803 58.000 0.019 0.000 1.255 57 F CB 0.531 39.540 39.000 0.015 0.000 1.048 57 F HN -0.013 nan 8.300 nan 0.000 0.512 58 E N -1.171 119.103 120.200 0.123 0.000 2.511 58 E HA 0.004 4.351 4.350 -0.007 0.000 0.209 58 E C -0.115 176.528 176.600 0.072 0.000 0.986 58 E CA -0.091 56.362 56.400 0.090 0.000 0.974 58 E CB 0.422 30.156 29.700 0.057 0.000 1.030 58 E HN 0.139 nan 8.360 nan 0.000 0.490 59 D N 1.301 121.739 120.400 0.063 0.000 2.382 59 D HA 0.008 4.644 4.640 -0.007 0.000 0.259 59 D C 1.140 177.488 176.300 0.081 0.000 1.224 59 D CA 0.130 54.165 54.000 0.057 0.000 0.894 59 D CB 0.754 41.573 40.800 0.032 0.000 1.127 59 D HN 0.030 nan 8.370 nan 0.000 0.487 60 L N 3.602 124.868 121.223 0.071 0.000 2.263 60 L HA -0.209 4.127 4.340 -0.007 0.000 0.216 60 L C 2.112 179.025 176.870 0.072 0.000 1.111 60 L CA 0.670 55.550 54.840 0.065 0.000 0.773 60 L CB -0.236 41.853 42.059 0.050 0.000 0.906 60 L HN 0.612 nan 8.230 nan 0.000 0.439 61 L N -0.685 120.591 121.223 0.088 0.000 2.109 61 L HA -0.147 4.189 4.340 -0.007 0.000 0.207 61 L C 2.580 179.508 176.870 0.097 0.000 1.086 61 L CA 1.114 56.012 54.840 0.097 0.000 0.760 61 L CB -0.420 41.710 42.059 0.120 0.000 0.910 61 L HN 0.270 nan 8.230 nan 0.000 0.437 62 V N -2.827 117.156 119.914 0.115 0.000 2.407 62 V HA -0.121 3.995 4.120 -0.007 0.000 0.245 62 V C 2.650 178.851 176.094 0.178 0.000 1.041 62 V CA 0.664 63.068 62.300 0.174 0.000 1.040 62 V CB -0.701 31.265 31.823 0.238 0.000 0.671 62 V HN 0.309 nan 8.190 nan 0.000 0.455 63 R N 0.587 121.181 120.500 0.157 0.000 2.097 63 R HA -0.125 4.211 4.340 -0.007 0.000 0.236 63 R C 2.372 178.708 176.300 0.060 0.000 1.135 63 R CA 2.018 58.176 56.100 0.098 0.000 0.934 63 R CB -1.229 29.118 30.300 0.078 0.000 0.846 63 R HN 0.422 nan 8.270 nan 0.000 0.431 64 I N 1.376 121.979 120.570 0.054 0.000 2.145 64 I HA -0.278 3.888 4.170 -0.007 0.000 0.244 64 I C 2.490 178.629 176.117 0.038 0.000 1.075 64 I CA 1.269 62.589 61.300 0.034 0.000 1.332 64 I CB -0.994 37.021 38.000 0.024 0.000 1.033 64 I HN 0.190 nan 8.210 nan 0.000 0.410 65 L N -0.496 120.761 121.223 0.057 0.000 2.313 65 L HA -0.094 4.242 4.340 -0.007 0.000 0.214 65 L C 2.371 179.271 176.870 0.049 0.000 1.119 65 L CA 0.543 55.416 54.840 0.056 0.000 0.809 65 L CB 0.056 42.158 42.059 0.072 0.000 0.933 65 L HN 0.236 nan 8.230 nan 0.000 0.449 66 L N -0.707 120.543 121.223 0.045 0.000 2.179 66 L HA -0.188 4.148 4.340 -0.007 0.000 0.208 66 L C 2.349 179.220 176.870 0.001 0.000 1.096 66 L CA 0.807 55.650 54.840 0.005 0.000 0.779 66 L CB 0.045 42.079 42.059 -0.042 0.000 0.922 66 L HN 0.313 nan 8.230 nan 0.000 0.443 67 L N -0.271 120.960 121.223 0.013 0.000 2.027 67 L HA -0.175 4.162 4.340 -0.007 0.000 0.206 67 L C 2.583 179.470 176.870 0.028 0.000 1.074 67 L CA 1.534 56.384 54.840 0.017 0.000 0.745 67 L CB -0.384 41.684 42.059 0.015 0.000 0.898 67 L HN 0.272 nan 8.230 nan 0.000 0.433 68 A N -0.737 122.099 122.820 0.028 0.000 2.125 68 A HA -0.057 4.259 4.320 -0.007 0.000 0.219 68 A C 2.193 179.809 177.584 0.053 0.000 1.156 68 A CA 1.409 53.465 52.037 0.032 0.000 0.671 68 A CB -0.451 18.565 19.000 0.026 0.000 0.794 68 A HN 0.543 nan 8.150 nan 0.000 0.459 69 A N -2.063 120.789 122.820 0.054 0.000 2.044 69 A HA 0.103 4.419 4.320 -0.007 0.000 0.213 69 A C 1.970 179.613 177.584 0.099 0.000 1.169 69 A CA 1.165 53.245 52.037 0.072 0.000 0.724 69 A CB -0.586 18.439 19.000 0.041 0.000 0.840 69 A HN 0.529 nan 8.150 nan 0.000 0.463 70 C N -0.655 118.691 119.300 0.077 0.000 2.551 70 C HA 0.198 4.654 4.460 -0.007 0.000 0.277 70 C C 2.249 177.330 174.990 0.152 0.000 1.349 70 C CA 0.019 59.106 59.018 0.114 0.000 1.750 70 C CB -0.645 27.125 27.740 0.050 0.000 2.058 70 C HN 0.540 nan 8.230 nan 0.000 0.518 71 I N 1.199 121.828 120.570 0.100 0.000 2.546 71 I HA -0.085 4.081 4.170 -0.007 0.000 0.255 71 I C 2.423 178.592 176.117 0.087 0.000 1.163 71 I CA 1.369 62.717 61.300 0.080 0.000 1.457 71 I CB -1.302 36.720 38.000 0.037 0.000 1.092 71 I HN 0.230 nan 8.210 nan 0.000 0.434 72 S N 0.694 116.463 115.700 0.115 0.000 2.357 72 S HA -0.138 4.328 4.470 -0.007 0.000 0.221 72 S C 1.907 176.632 174.600 0.208 0.000 1.031 72 S CA 0.942 59.220 58.200 0.131 0.000 0.982 72 S CB -0.374 62.911 63.200 0.142 0.000 0.853 72 S HN 0.394 nan 8.310 nan 0.000 0.458 73 F N 2.687 122.706 119.950 0.115 0.000 2.146 73 F HA -0.097 4.426 4.527 -0.006 0.000 0.298 73 F C 2.138 178.011 175.800 0.120 0.000 1.096 73 F CA 1.303 59.398 58.000 0.158 0.000 1.275 73 F CB -0.358 38.688 39.000 0.077 0.000 1.008 73 F HN 0.098 nan 8.300 nan 0.000 0.480 74 V N -0.936 119.042 119.914 0.108 0.000 3.217 74 V HA -0.042 4.075 4.120 -0.007 0.000 0.264 74 V C 1.500 177.555 176.094 -0.065 0.000 1.135 74 V CA 1.585 63.881 62.300 -0.007 0.000 1.142 74 V CB -0.627 31.261 31.823 0.107 0.000 0.754 74 V HN 0.445 nan 8.190 nan 0.000 0.484 75 L N -0.772 120.436 121.223 -0.024 0.000 2.808 75 L HA 0.708 5.044 4.340 -0.007 0.000 0.246 75 L C 1.869 178.708 176.870 -0.051 0.000 1.153 75 L CA 0.785 55.604 54.840 -0.035 0.000 0.956 75 L CB 0.266 42.315 42.059 -0.018 0.000 1.270 75 L HN 0.252 nan 8.230 nan 0.000 0.528 76 A N -0.987 121.813 122.820 -0.033 0.000 2.026 76 A HA 0.075 4.391 4.320 -0.007 0.000 0.198 76 A C 0.609 178.280 177.584 0.145 0.000 1.390 76 A CA -0.319 51.725 52.037 0.011 0.000 0.915 76 A CB -0.305 18.757 19.000 0.102 0.000 0.974 76 A HN 0.425 nan 8.150 nan 0.000 0.477 77 W N 1.601 122.782 121.300 -0.198 0.000 2.251 77 W HA 0.286 4.942 4.660 -0.006 0.000 0.327 77 W C 0.467 176.549 176.519 -0.728 0.000 1.361 77 W CA 0.793 57.905 57.345 -0.388 0.000 1.234 77 W CB 0.057 29.009 29.460 -0.847 0.000 1.212 77 W HN 0.810 nan 8.180 nan 0.000 0.557 78 F N 2.562 122.252 119.950 -0.432 0.000 3.079 78 F HA -0.338 4.185 4.527 -0.007 0.000 0.285 78 F C 0.848 176.679 175.800 0.051 0.000 0.819 78 F CA 1.250 59.076 58.000 -0.291 0.000 1.067 78 F CB -1.999 36.841 39.000 -0.267 0.000 1.263 78 F HN 0.350 nan 8.300 nan 0.000 0.458 79 E N 0.682 120.975 120.200 0.155 0.000 2.482 79 E HA 0.031 4.377 4.350 -0.007 0.000 0.196 79 E C 0.291 177.096 176.600 0.342 0.000 1.047 79 E CA 0.894 57.480 56.400 0.311 0.000 0.869 79 E CB -0.027 29.756 29.700 0.139 0.000 0.836 79 E HN 0.652 nan 8.360 nan 0.000 0.520 80 E N -0.691 119.653 120.200 0.240 0.000 2.640 80 E HA 0.148 4.494 4.350 -0.007 0.000 0.360 80 E C 0.631 177.294 176.600 0.106 0.000 1.014 80 E CA -0.102 56.427 56.400 0.216 0.000 0.757 80 E CB 0.829 30.603 29.700 0.124 0.000 1.565 80 E HN 0.083 nan 8.360 nan 0.000 0.381 81 G N 2.492 111.344 108.800 0.087 0.000 2.681 81 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.224 81 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.224 81 G C 0.851 175.735 174.900 -0.026 0.000 1.100 81 G CA 1.182 46.269 45.100 -0.023 0.000 0.743 81 G HN 0.429 nan 8.290 nan 0.000 0.612 82 E N 0.989 121.192 120.200 0.005 0.000 2.452 82 E HA 0.123 4.469 4.350 -0.007 0.000 0.293 82 E C -0.602 175.991 176.600 -0.013 0.000 1.535 82 E CA -0.299 56.098 56.400 -0.005 0.000 1.816 82 E CB -0.127 29.578 29.700 0.009 0.000 1.494 82 E HN 0.191 nan 8.360 nan 0.000 0.464 83 E N 1.403 121.586 120.200 -0.028 0.000 2.151 83 E HA 0.132 4.478 4.350 -0.007 0.000 0.275 83 E C -0.448 176.141 176.600 -0.019 0.000 0.936 83 E CA -0.483 55.891 56.400 -0.042 0.000 0.777 83 E CB 1.800 31.460 29.700 -0.067 0.000 1.108 83 E HN 0.311 nan 8.360 nan 0.000 0.401 84 T N 0.183 114.722 114.554 -0.024 0.000 2.749 84 T HA 0.238 4.584 4.350 -0.007 0.000 0.295 84 T C 1.183 175.909 174.700 0.043 0.000 0.936 84 T CA -0.913 61.190 62.100 0.004 0.000 1.060 84 T CB 0.120 68.981 68.868 -0.012 0.000 0.904 84 T HN 0.409 nan 8.240 nan 0.000 0.500 85 I N 1.578 122.223 120.570 0.124 0.000 2.928 85 I HA 0.162 4.328 4.170 -0.007 0.000 0.301 85 I C -0.248 175.986 176.117 0.195 0.000 1.049 85 I CA 0.104 61.568 61.300 0.274 0.000 2.558 85 I CB -2.213 35.932 38.000 0.242 0.000 1.646 85 I HN 0.697 nan 8.210 nan 0.000 1.158 86 T N 1.469 116.087 114.554 0.105 0.000 3.326 86 T HA 0.367 4.713 4.350 -0.007 0.000 0.302 86 T C 1.242 175.942 174.700 0.001 0.000 0.908 86 T CA 0.384 62.515 62.100 0.052 0.000 0.933 86 T CB 0.748 69.618 68.868 0.003 0.000 1.194 86 T HN 0.603 nan 8.240 nan 0.000 0.585 87 A N -0.119 122.646 122.820 -0.092 0.000 2.348 87 A HA 0.490 4.806 4.320 -0.007 0.000 0.224 87 A C 0.958 178.431 177.584 -0.184 0.000 1.227 87 A CA 0.028 51.959 52.037 -0.177 0.000 0.885 87 A CB -0.571 18.259 19.000 -0.283 0.000 0.933 87 A HN 0.397 nan 8.150 nan 0.000 0.506 88 F N -0.214 119.794 119.950 0.096 0.000 2.797 88 F HA 0.031 4.554 4.527 -0.006 0.000 0.302 88 F C 1.932 177.843 175.800 0.186 0.000 1.130 88 F CA 0.734 58.832 58.000 0.164 0.000 1.387 88 F CB 0.206 39.337 39.000 0.217 0.000 1.107 88 F HN 0.134 nan 8.300 nan 0.000 0.577 89 V N -2.584 117.497 119.914 0.279 0.000 3.592 89 V HA -0.054 4.062 4.120 -0.007 0.000 0.272 89 V C 1.658 177.915 176.094 0.272 0.000 1.228 89 V CA 0.993 63.464 62.300 0.286 0.000 1.173 89 V CB -0.762 31.181 31.823 0.200 0.000 0.873 89 V HN 0.426 nan 8.190 nan 0.000 0.476 90 E N 1.661 122.001 120.200 0.233 0.000 2.022 90 E HA -0.027 4.319 4.350 -0.007 0.000 0.190 90 E C -0.345 176.376 176.600 0.202 0.000 0.973 90 E CA 1.021 57.535 56.400 0.190 0.000 0.816 90 E CB -0.613 29.174 29.700 0.144 0.000 0.781 90 E HN 0.510 nan 8.360 nan 0.000 0.456 91 P HA -0.146 nan 4.420 nan 0.000 0.217 91 P C 1.044 178.455 177.300 0.185 0.000 1.148 91 P CA 1.022 64.243 63.100 0.203 0.000 0.828 91 P CB -0.151 31.721 31.700 0.287 0.000 0.783 92 F N 0.914 120.928 119.950 0.106 0.000 2.113 92 F HA -0.151 4.373 4.527 -0.006 0.000 0.297 92 F C 1.968 177.801 175.800 0.056 0.000 1.103 92 F CA 1.291 59.329 58.000 0.062 0.000 1.248 92 F CB -0.790 38.265 39.000 0.092 0.000 0.999 92 F HN -0.222 nan 8.300 nan 0.000 0.475 93 V N -1.586 118.392 119.914 0.107 0.000 2.667 93 V HA -0.159 3.957 4.120 -0.007 0.000 0.252 93 V C 2.214 178.293 176.094 -0.026 0.000 1.065 93 V CA 1.134 63.436 62.300 0.003 0.000 1.083 93 V CB -1.011 30.886 31.823 0.122 0.000 0.692 93 V HN 0.269 nan 8.190 nan 0.000 0.468 94 I N 0.366 120.946 120.570 0.016 0.000 2.226 94 I HA -0.156 4.010 4.170 -0.007 0.000 0.245 94 I C 2.508 178.608 176.117 -0.027 0.000 1.100 94 I CA 1.356 62.664 61.300 0.014 0.000 1.374 94 I CB -1.274 36.752 38.000 0.044 0.000 1.057 94 I HN 0.322 nan 8.210 nan 0.000 0.413 95 L N -0.051 121.118 121.223 -0.090 0.000 1.955 95 L HA -0.234 4.102 4.340 -0.007 0.000 0.213 95 L C 2.577 179.362 176.870 -0.141 0.000 1.072 95 L CA 1.473 56.231 54.840 -0.136 0.000 0.755 95 L CB -0.704 41.212 42.059 -0.239 0.000 0.888 95 L HN 0.159 nan 8.230 nan 0.000 0.432 96 L N -0.673 120.397 121.223 -0.256 0.000 2.189 96 L HA -0.261 4.075 4.340 -0.007 0.000 0.214 96 L C 2.513 179.330 176.870 -0.088 0.000 1.097 96 L CA 0.907 55.627 54.840 -0.200 0.000 0.764 96 L CB -0.624 41.279 42.059 -0.259 0.000 0.900 96 L HN 0.333 nan 8.230 nan 0.000 0.436 97 I N -0.095 120.440 120.570 -0.058 0.000 2.162 97 I HA -0.230 3.937 4.170 -0.007 0.000 0.238 97 I C 2.555 178.676 176.117 0.006 0.000 1.076 97 I CA 1.425 62.712 61.300 -0.022 0.000 1.353 97 I CB -0.903 37.091 38.000 -0.009 0.000 1.063 97 I HN 0.226 nan 8.210 nan 0.000 0.408 98 L N 0.295 121.549 121.223 0.051 0.000 2.046 98 L HA -0.223 4.113 4.340 -0.007 0.000 0.208 98 L C 2.651 179.623 176.870 0.171 0.000 1.077 98 L CA 1.137 56.060 54.840 0.138 0.000 0.747 98 L CB -0.645 41.585 42.059 0.285 0.000 0.896 98 L HN 0.176 nan 8.230 nan 0.000 0.432 99 I N 0.677 121.338 120.570 0.152 0.000 2.151 99 I HA -0.310 3.856 4.170 -0.007 0.000 0.243 99 I C 2.897 179.045 176.117 0.053 0.000 1.080 99 I CA 1.871 63.251 61.300 0.133 0.000 1.339 99 I CB -1.475 36.547 38.000 0.037 0.000 1.039 99 I HN 0.208 nan 8.210 nan 0.000 0.409 100 A N 1.532 124.356 122.820 0.006 0.000 1.845 100 A HA -0.259 4.057 4.320 -0.007 0.000 0.215 100 A C 2.218 179.783 177.584 -0.032 0.000 1.195 100 A CA 2.058 54.082 52.037 -0.022 0.000 0.616 100 A CB -1.110 17.867 19.000 -0.037 0.000 0.832 100 A HN 0.587 nan 8.150 nan 0.000 0.443 101 N N 1.088 119.764 118.700 -0.040 0.000 2.094 101 N HA -0.175 4.561 4.740 -0.007 0.000 0.191 101 N C 1.677 177.121 175.510 -0.110 0.000 1.023 101 N CA 2.027 55.039 53.050 -0.063 0.000 0.857 101 N CB -0.424 38.028 38.487 -0.058 0.000 1.013 101 N HN 0.352 nan 8.380 nan 0.000 0.426 102 A N 0.166 122.875 122.820 -0.186 0.000 2.216 102 A HA 0.095 4.411 4.320 -0.007 0.000 0.214 102 A C 2.215 179.727 177.584 -0.120 0.000 1.160 102 A CA 0.327 52.169 52.037 -0.324 0.000 0.725 102 A CB -0.272 18.286 19.000 -0.737 0.000 0.784 102 A HN 0.450 nan 8.150 nan 0.000 0.472 103 I N -1.809 118.741 120.570 -0.034 0.000 2.947 103 I HA -0.050 4.116 4.170 -0.007 0.000 0.263 103 I C 2.247 178.413 176.117 0.082 0.000 1.130 103 I CA 0.697 62.022 61.300 0.043 0.000 1.448 103 I CB 0.267 38.293 38.000 0.044 0.000 1.222 103 I HN 0.166 nan 8.210 nan 0.000 0.453 104 V N 1.130 121.065 119.914 0.035 0.000 2.794 104 V HA -0.186 3.930 4.120 -0.007 0.000 0.260 104 V C 1.981 178.145 176.094 0.117 0.000 1.103 104 V CA 2.307 64.650 62.300 0.073 0.000 1.125 104 V CB -0.971 30.854 31.823 0.004 0.000 0.702 104 V HN 0.491 nan 8.190 nan 0.000 0.494 105 G N 0.366 109.197 108.800 0.051 0.000 2.434 105 G HA2 -0.219 3.737 3.960 -0.007 0.000 0.214 105 G HA3 -0.219 3.737 3.960 -0.007 0.000 0.214 105 G C 1.672 176.610 174.900 0.063 0.000 1.202 105 G CA 1.581 46.699 45.100 0.030 0.000 0.788 105 G HN 1.001 nan 8.290 nan 0.000 0.539 106 V N -2.507 117.455 119.914 0.078 0.000 2.913 106 V HA -0.011 4.105 4.120 -0.007 0.000 0.260 106 V C 2.095 178.273 176.094 0.140 0.000 1.098 106 V CA 1.410 63.759 62.300 0.083 0.000 1.121 106 V CB -0.756 31.124 31.823 0.095 0.000 0.714 106 V HN 0.600 nan 8.190 nan 0.000 0.487 107 W N 0.886 122.183 121.300 -0.004 0.000 2.379 107 W HA -0.137 4.519 4.660 -0.006 0.000 0.307 107 W C 2.410 178.924 176.519 -0.008 0.000 1.200 107 W CA 1.847 59.194 57.345 0.003 0.000 1.297 107 W CB -0.047 29.416 29.460 0.005 0.000 1.140 107 W HN 0.319 nan 8.180 nan 0.000 0.507 108 Q N 0.450 120.293 119.800 0.071 0.000 2.224 108 Q HA -0.167 4.169 4.340 -0.007 0.000 0.203 108 Q C 1.802 177.742 176.000 -0.100 0.000 0.970 108 Q CA 1.217 56.994 55.803 -0.043 0.000 0.865 108 Q CB -0.577 28.179 28.738 0.030 0.000 0.922 108 Q HN 0.438 nan 8.270 nan 0.000 0.445 109 E N 0.351 120.507 120.200 -0.075 0.000 2.077 109 E HA -0.124 4.222 4.350 -0.007 0.000 0.193 109 E C 1.881 178.400 176.600 -0.134 0.000 0.989 109 E CA 0.816 57.164 56.400 -0.087 0.000 0.800 109 E CB 0.134 29.796 29.700 -0.063 0.000 0.746 109 E HN 0.235 nan 8.360 nan 0.000 0.452 110 R N 0.243 120.629 120.500 -0.190 0.000 2.175 110 R HA 0.114 4.451 4.340 -0.007 0.000 0.202 110 R C 1.924 178.042 176.300 -0.303 0.000 1.018 110 R CA 0.008 55.972 56.100 -0.226 0.000 1.029 110 R CB -0.634 29.532 30.300 -0.225 0.000 0.959 110 R HN 0.245 nan 8.270 nan 0.000 0.480 111 N N 1.080 119.515 118.700 -0.441 0.000 2.149 111 N HA -0.159 4.577 4.740 -0.007 0.000 0.188 111 N C 1.504 176.871 175.510 -0.238 0.000 1.019 111 N CA 1.400 54.182 53.050 -0.445 0.000 0.857 111 N CB 0.220 38.373 38.487 -0.557 0.000 0.997 111 N HN 0.159 nan 8.380 nan 0.000 0.426 112 A N 1.016 123.726 122.820 -0.183 0.000 1.854 112 A HA -0.134 4.182 4.320 -0.007 0.000 0.214 112 A C 2.023 179.540 177.584 -0.112 0.000 1.192 112 A CA 1.466 53.431 52.037 -0.120 0.000 0.611 112 A CB -0.778 18.166 19.000 -0.093 0.000 0.832 112 A HN 0.395 nan 8.150 nan 0.000 0.442 113 E N 1.639 121.767 120.200 -0.120 0.000 2.114 113 E HA -0.265 4.081 4.350 -0.007 0.000 0.199 113 E C 1.377 177.919 176.600 -0.096 0.000 1.008 113 E CA 2.155 58.494 56.400 -0.102 0.000 0.810 113 E CB -0.381 29.253 29.700 -0.109 0.000 0.739 113 E HN 0.786 nan 8.360 nan 0.000 0.456 114 N N -0.675 117.957 118.700 -0.114 0.000 2.336 114 N HA 0.160 4.896 4.740 -0.007 0.000 0.189 114 N C 1.134 176.593 175.510 -0.086 0.000 1.113 114 N CA 0.750 53.742 53.050 -0.097 0.000 0.858 114 N CB 0.143 38.568 38.487 -0.104 0.000 0.970 114 N HN 0.222 nan 8.380 nan 0.000 0.471 115 A N 1.097 123.864 122.820 -0.089 0.000 1.850 115 A HA 0.196 4.512 4.320 -0.007 0.000 0.212 115 A C 2.115 179.663 177.584 -0.060 0.000 1.208 115 A CA 0.604 52.599 52.037 -0.071 0.000 0.609 115 A CB -0.712 18.246 19.000 -0.071 0.000 0.860 115 A HN 0.229 nan 8.150 nan 0.000 0.448 116 I N 0.056 120.589 120.570 -0.061 0.000 2.194 116 I HA -0.269 3.897 4.170 -0.007 0.000 0.246 116 I C 2.394 178.481 176.117 -0.050 0.000 1.093 116 I CA 1.416 62.684 61.300 -0.053 0.000 1.355 116 I CB -0.219 37.749 38.000 -0.054 0.000 1.046 116 I HN 0.298 nan 8.210 nan 0.000 0.413 117 E N 0.629 120.796 120.200 -0.054 0.000 2.150 117 E HA -0.152 4.194 4.350 -0.007 0.000 0.193 117 E C 2.267 178.839 176.600 -0.046 0.000 0.985 117 E CA 1.197 57.568 56.400 -0.048 0.000 0.814 117 E CB -0.241 29.428 29.700 -0.052 0.000 0.752 117 E HN 0.505 nan 8.360 nan 0.000 0.466 118 A N 0.681 123.472 122.820 -0.049 0.000 2.125 118 A HA -0.100 4.216 4.320 -0.007 0.000 0.219 118 A C 2.096 179.650 177.584 -0.050 0.000 1.156 118 A CA 0.701 52.710 52.037 -0.048 0.000 0.671 118 A CB -0.484 18.488 19.000 -0.047 0.000 0.794 118 A HN 0.190 nan 8.150 nan 0.000 0.459 119 L N -0.428 120.767 121.223 -0.047 0.000 2.599 119 L HA 0.039 4.375 4.340 -0.007 0.000 0.230 119 L C 0.887 177.727 176.870 -0.050 0.000 1.141 119 L CA 0.149 54.960 54.840 -0.048 0.000 0.877 119 L CB -0.261 41.773 42.059 -0.041 0.000 1.009 119 L HN 0.457 nan 8.230 nan 0.000 0.447 120 K N 0.234 120.606 120.400 -0.047 0.000 2.118 120 K HA 0.562 4.878 4.320 -0.007 0.000 0.254 120 K C -0.611 175.951 176.600 -0.064 0.000 0.961 120 K CA -0.678 55.585 56.287 -0.041 0.000 0.876 120 K CB 2.260 34.749 32.500 -0.019 0.000 1.077 120 K HN -0.151 nan 8.250 nan 0.000 0.440 121 E N 1.336 121.495 120.200 -0.068 0.000 2.383 121 E HA 0.283 4.629 4.350 -0.007 0.000 0.275 121 E C -1.309 175.339 176.600 0.080 0.000 0.918 121 E CA -0.700 55.608 56.400 -0.153 0.000 0.764 121 E CB 1.421 30.882 29.700 -0.399 0.000 1.252 121 E HN 0.641 nan 8.360 nan 0.000 0.449 122 Y N 0.245 120.532 120.300 -0.023 0.000 3.135 122 Y HA 0.193 4.739 4.550 -0.007 0.000 0.343 122 Y C 1.685 177.574 175.900 -0.019 0.000 1.322 122 Y CA -0.332 57.754 58.100 -0.022 0.000 0.993 122 Y CB 0.516 38.962 38.460 -0.022 0.000 1.306 122 Y HN 0.641 nan 8.280 nan 0.000 0.798 123 E N 0.337 120.657 120.200 0.200 0.000 2.057 123 E HA 0.221 4.567 4.350 -0.007 0.000 0.191 123 E C -1.991 174.644 176.600 0.058 0.000 0.959 123 E CA 0.245 56.700 56.400 0.092 0.000 0.828 123 E CB -1.015 28.721 29.700 0.060 0.000 0.800 123 E HN 0.386 nan 8.360 nan 0.000 0.460 124 P HA 0.334 nan 4.420 nan 0.000 0.300 124 P C -1.738 175.524 177.300 -0.064 0.000 1.306 124 P CA -0.895 62.199 63.100 -0.009 0.000 1.113 124 P CB 1.880 33.571 31.700 -0.016 0.000 1.615 125 E N 0.159 120.317 120.200 -0.071 0.000 2.343 125 E HA 0.783 5.129 4.350 -0.007 0.000 0.270 125 E C -1.093 175.455 176.600 -0.088 0.000 0.895 125 E CA -0.934 55.401 56.400 -0.108 0.000 0.767 125 E CB 1.916 31.557 29.700 -0.100 0.000 1.248 125 E HN 0.280 nan 8.360 nan 0.000 0.440 126 M N 0.684 120.224 119.600 -0.099 0.000 2.716 126 M HA 0.674 5.150 4.480 -0.007 0.000 0.278 126 M C -0.417 175.830 176.300 -0.089 0.000 1.281 126 M CA -0.831 54.416 55.300 -0.088 0.000 0.814 126 M CB 2.644 35.192 32.600 -0.087 0.000 1.719 126 M HN 0.815 nan 8.290 nan 0.000 0.457 127 G N 0.540 109.287 108.800 -0.089 0.000 2.866 127 G HA2 0.749 4.705 3.960 -0.007 0.000 0.289 127 G HA3 0.749 4.705 3.960 -0.007 0.000 0.289 127 G C -1.919 172.915 174.900 -0.112 0.000 1.396 127 G CA -0.682 44.362 45.100 -0.093 0.000 0.848 127 G HN 0.539 nan 8.290 nan 0.000 0.515 128 K N 0.338 120.662 120.400 -0.127 0.000 2.535 128 K HA 0.554 4.870 4.320 -0.007 0.000 0.253 128 K C -0.582 175.883 176.600 -0.224 0.000 0.953 128 K CA -0.643 55.534 56.287 -0.182 0.000 0.863 128 K CB 2.217 34.607 32.500 -0.184 0.000 1.111 128 K HN 0.552 nan 8.250 nan 0.000 0.431 129 V N -0.386 119.375 119.914 -0.254 0.000 2.919 129 V HA 0.581 4.697 4.120 -0.007 0.000 0.316 129 V C -1.203 174.682 176.094 -0.348 0.000 1.077 129 V CA -0.929 61.237 62.300 -0.224 0.000 0.977 129 V CB 1.166 32.916 31.823 -0.121 0.000 1.039 129 V HN 0.547 nan 8.190 nan 0.000 0.441 130 Y N 1.645 121.918 120.300 -0.045 0.000 2.345 130 Y HA 0.742 5.288 4.550 -0.007 0.000 0.331 130 Y C 0.547 176.420 175.900 -0.044 0.000 0.959 130 Y CA -0.444 57.633 58.100 -0.039 0.000 1.204 130 Y CB 1.577 40.018 38.460 -0.033 0.000 1.135 130 Y HN 0.632 nan 8.280 nan 0.000 0.477 131 R N 0.716 121.270 120.500 0.090 0.000 2.875 131 R HA 0.727 5.063 4.340 -0.007 0.000 0.251 131 R C 0.609 176.938 176.300 0.047 0.000 1.123 131 R CA -0.542 55.581 56.100 0.038 0.000 1.064 131 R CB 1.132 31.430 30.300 -0.003 0.000 1.205 131 R HN 0.701 nan 8.270 nan 0.000 0.503 132 A N 0.374 123.206 122.820 0.020 0.000 2.208 132 A HA -0.051 4.265 4.320 -0.007 0.000 0.209 132 A C 0.931 178.525 177.584 0.017 0.000 1.161 132 A CA 0.720 52.768 52.037 0.018 0.000 0.782 132 A CB -0.333 18.671 19.000 0.006 0.000 0.816 132 A HN 0.713 nan 8.150 nan 0.000 0.477 133 D N 0.566 120.975 120.400 0.015 0.000 2.137 133 D HA -0.132 4.504 4.640 -0.007 0.000 0.193 133 D C 0.749 177.061 176.300 0.020 0.000 0.993 133 D CA 1.121 55.129 54.000 0.013 0.000 0.846 133 D CB -0.091 40.713 40.800 0.007 0.000 0.990 133 D HN 0.368 nan 8.370 nan 0.000 0.448 134 R N 0.706 121.224 120.500 0.030 0.000 2.486 134 R HA 0.180 4.516 4.340 -0.007 0.000 0.286 134 R C 1.356 177.696 176.300 0.068 0.000 0.999 134 R CA -0.343 55.781 56.100 0.040 0.000 0.993 134 R CB 1.383 31.704 30.300 0.035 0.000 1.084 134 R HN 0.113 nan 8.270 nan 0.000 0.487 135 K N -0.035 120.399 120.400 0.057 0.000 2.365 135 K HA -0.010 4.306 4.320 -0.007 0.000 0.199 135 K C 0.477 177.151 176.600 0.123 0.000 1.045 135 K CA 0.710 57.032 56.287 0.058 0.000 0.962 135 K CB 0.240 32.754 32.500 0.024 0.000 0.759 135 K HN 0.470 nan 8.250 nan 0.000 0.469 136 S N -0.090 115.695 115.700 0.142 0.000 2.719 136 S HA 0.334 4.800 4.470 -0.007 0.000 0.285 136 S C 0.240 174.972 174.600 0.219 0.000 1.137 136 S CA -1.063 57.255 58.200 0.197 0.000 1.012 136 S CB 1.314 64.567 63.200 0.089 0.000 1.134 136 S HN -0.019 nan 8.310 nan 0.000 0.544 137 V N 0.686 120.635 119.914 0.058 0.000 3.133 137 V HA 0.330 4.446 4.120 -0.007 0.000 0.305 137 V C -0.571 175.396 176.094 -0.211 0.000 1.084 137 V CA -0.127 61.956 62.300 -0.362 0.000 1.089 137 V CB 1.216 32.826 31.823 -0.354 0.000 1.073 137 V HN 0.924 nan 8.190 nan 0.000 0.477 138 Q N 3.830 123.473 119.800 -0.262 0.000 2.271 138 Q HA 0.456 4.792 4.340 -0.007 0.000 0.268 138 Q C -1.219 174.692 176.000 -0.147 0.000 1.021 138 Q CA -0.610 55.102 55.803 -0.152 0.000 0.802 138 Q CB 2.178 30.846 28.738 -0.116 0.000 1.282 138 Q HN 0.599 nan 8.270 nan 0.000 0.431 139 R N 2.308 122.743 120.500 -0.108 0.000 2.272 139 R HA 0.315 4.651 4.340 -0.007 0.000 0.334 139 R C -0.308 175.941 176.300 -0.085 0.000 1.117 139 R CA -0.115 55.927 56.100 -0.097 0.000 0.966 139 R CB 0.259 30.513 30.300 -0.078 0.000 1.049 139 R HN 0.388 nan 8.270 nan 0.000 0.477 140 I N 2.648 123.163 120.570 -0.092 0.000 2.648 140 I HA 0.243 4.409 4.170 -0.007 0.000 0.304 140 I C 0.618 176.686 176.117 -0.082 0.000 1.009 140 I CA -1.190 60.059 61.300 -0.084 0.000 1.114 140 I CB 1.760 39.706 38.000 -0.089 0.000 1.293 140 I HN 0.350 nan 8.210 nan 0.000 0.449 141 K N 2.831 123.184 120.400 -0.079 0.000 2.382 141 K HA 0.234 4.551 4.320 -0.007 0.000 0.275 141 K C 0.999 177.549 176.600 -0.082 0.000 1.009 141 K CA -0.078 56.163 56.287 -0.077 0.000 0.970 141 K CB 0.877 33.333 32.500 -0.073 0.000 0.934 141 K HN 0.714 nan 8.250 nan 0.000 0.479 142 A N 3.637 126.414 122.820 -0.072 0.000 1.978 142 A HA -0.245 4.071 4.320 -0.007 0.000 0.220 142 A C 2.068 179.614 177.584 -0.063 0.000 1.170 142 A CA 1.949 53.947 52.037 -0.064 0.000 0.636 142 A CB -0.493 18.476 19.000 -0.052 0.000 0.810 142 A HN 0.918 nan 8.150 nan 0.000 0.448 143 R N -0.439 120.019 120.500 -0.071 0.000 2.120 143 R HA -0.100 4.236 4.340 -0.007 0.000 0.234 143 R C 1.130 177.330 176.300 -0.167 0.000 1.123 143 R CA 1.950 58.002 56.100 -0.080 0.000 0.975 143 R CB -0.632 29.623 30.300 -0.075 0.000 0.866 143 R HN 0.315 nan 8.270 nan 0.000 0.446 144 D N -0.015 120.270 120.400 -0.193 0.000 2.340 144 D HA 0.167 4.803 4.640 -0.007 0.000 0.220 144 D C -0.120 176.113 176.300 -0.112 0.000 1.039 144 D CA 0.095 53.959 54.000 -0.227 0.000 0.866 144 D CB 0.146 40.832 40.800 -0.190 0.000 0.913 144 D HN 0.251 nan 8.370 nan 0.000 0.523 145 I N 1.165 121.687 120.570 -0.081 0.000 2.556 145 I HA 0.077 4.243 4.170 -0.007 0.000 0.284 145 I C 0.355 176.460 176.117 -0.020 0.000 1.114 145 I CA -0.515 60.752 61.300 -0.056 0.000 1.418 145 I CB 0.920 38.883 38.000 -0.062 0.000 1.394 145 I HN -0.200 nan 8.210 nan 0.000 0.552 146 V N 4.116 124.025 119.914 -0.008 0.000 2.919 146 V HA 0.662 4.778 4.120 -0.007 0.000 0.316 146 V C -2.651 173.415 176.094 -0.047 0.000 1.077 146 V CA -2.707 59.620 62.300 0.045 0.000 0.977 146 V CB 1.324 33.247 31.823 0.168 0.000 1.039 146 V HN 0.440 nan 8.190 nan 0.000 0.441 147 P HA 0.274 nan 4.420 nan 0.000 0.271 147 P C 1.124 178.211 177.300 -0.355 0.000 1.233 147 P CA 1.949 64.863 63.100 -0.310 0.000 0.795 147 P CB 0.438 31.807 31.700 -0.552 0.000 0.936 148 G N -0.223 107.974 108.800 -1.004 0.000 2.458 148 G HA2 -0.237 3.719 3.960 -0.007 0.000 0.237 148 G HA3 -0.237 3.719 3.960 -0.007 0.000 0.237 148 G C 0.071 174.686 174.900 -0.476 0.000 1.113 148 G CA 0.570 44.990 45.100 -1.134 0.000 0.655 148 G HN 0.775 nan 8.290 nan 0.000 0.513 149 D N 1.440 121.669 120.400 -0.284 0.000 2.358 149 D HA 0.449 5.085 4.640 -0.007 0.000 0.244 149 D C 0.590 176.821 176.300 -0.116 0.000 1.163 149 D CA -0.797 53.104 54.000 -0.165 0.000 0.945 149 D CB 0.445 41.175 40.800 -0.115 0.000 1.152 149 D HN 0.212 nan 8.370 nan 0.000 0.451 150 I N 1.358 121.902 120.570 -0.044 0.000 2.312 150 I HA 0.164 4.330 4.170 -0.007 0.000 0.291 150 I C 0.396 176.530 176.117 0.029 0.000 1.031 150 I CA -0.811 60.499 61.300 0.017 0.000 1.293 150 I CB 0.330 38.385 38.000 0.092 0.000 1.403 150 I HN 0.385 nan 8.210 nan 0.000 0.484 151 V N 3.777 123.690 119.914 -0.002 0.000 2.881 151 V HA 0.689 4.805 4.120 -0.007 0.000 0.316 151 V C -0.396 175.705 176.094 0.011 0.000 1.070 151 V CA -0.646 61.638 62.300 -0.027 0.000 0.976 151 V CB 2.464 34.251 31.823 -0.060 0.000 1.038 151 V HN 0.835 nan 8.190 nan 0.000 0.446 152 E N 1.659 121.845 120.200 -0.024 0.000 2.248 152 E HA 0.719 5.065 4.350 -0.007 0.000 0.267 152 E C -1.475 175.109 176.600 -0.028 0.000 0.877 152 E CA -0.825 55.583 56.400 0.012 0.000 0.759 152 E CB 2.385 32.109 29.700 0.040 0.000 1.182 152 E HN 1.088 nan 8.360 nan 0.000 0.418 153 V N -0.006 119.901 119.914 -0.012 0.000 2.925 153 V HA 1.005 5.121 4.120 -0.007 0.000 0.311 153 V C -0.752 175.336 176.094 -0.010 0.000 1.104 153 V CA -0.589 61.697 62.300 -0.023 0.000 0.954 153 V CB 1.162 32.967 31.823 -0.030 0.000 1.022 153 V HN 0.794 nan 8.190 nan 0.000 0.427 154 A N 2.305 125.116 122.820 -0.015 0.000 2.486 154 A HA 0.895 5.211 4.320 -0.007 0.000 0.289 154 A C -0.315 177.263 177.584 -0.010 0.000 1.176 154 A CA -0.845 51.188 52.037 -0.006 0.000 0.757 154 A CB 1.642 20.641 19.000 -0.003 0.000 1.337 154 A HN 1.586 nan 8.150 nan 0.000 0.423 155 V N 0.952 120.863 119.914 -0.005 0.000 2.625 155 V HA 0.315 4.431 4.120 -0.007 0.000 0.305 155 V C 1.642 177.727 176.094 -0.015 0.000 1.055 155 V CA 2.219 64.514 62.300 -0.008 0.000 1.209 155 V CB -0.146 31.674 31.823 -0.005 0.000 0.877 155 V HN 2.269 nan 8.190 nan 0.000 0.489 156 G N 3.521 112.310 108.800 -0.017 0.000 2.195 156 G HA2 -0.187 3.769 3.960 -0.007 0.000 0.246 156 G HA3 -0.187 3.769 3.960 -0.007 0.000 0.246 156 G C -0.071 174.812 174.900 -0.028 0.000 0.984 156 G CA 0.055 45.143 45.100 -0.021 0.000 0.633 156 G HN 0.683 nan 8.290 nan 0.000 0.525 157 D N 0.770 121.151 120.400 -0.031 0.000 2.350 157 D HA 0.379 5.015 4.640 -0.007 0.000 0.249 157 D C 0.493 176.771 176.300 -0.036 0.000 1.119 157 D CA 0.057 54.032 54.000 -0.042 0.000 0.886 157 D CB 1.251 42.025 40.800 -0.043 0.000 1.195 157 D HN 0.384 nan 8.370 nan 0.000 0.437 158 K N 1.809 122.181 120.400 -0.047 0.000 2.276 158 K HA 0.202 4.518 4.320 -0.007 0.000 0.285 158 K C -0.705 175.874 176.600 -0.035 0.000 1.062 158 K CA -0.617 55.649 56.287 -0.034 0.000 0.918 158 K CB 0.657 33.132 32.500 -0.041 0.000 1.055 158 K HN 0.119 nan 8.250 nan 0.000 0.477 159 V N 8.442 128.344 119.914 -0.020 0.000 2.458 159 V HA 0.000 4.116 4.120 -0.007 0.000 0.287 159 V C -1.171 174.910 176.094 -0.022 0.000 1.009 159 V CA -0.963 61.322 62.300 -0.025 0.000 1.091 159 V CB 0.766 32.578 31.823 -0.019 0.000 0.960 159 V HN 0.870 nan 8.190 nan 0.000 0.476 160 P HA 0.040 nan 4.420 nan 0.000 0.220 160 P C 0.332 177.616 177.300 -0.026 0.000 1.152 160 P CA 1.176 64.254 63.100 -0.038 0.000 0.812 160 P CB 0.669 32.336 31.700 -0.054 0.000 0.792 161 A N -0.755 122.047 122.820 -0.030 0.000 2.564 161 A HA 0.541 4.858 4.320 -0.007 0.000 0.288 161 A C -1.419 176.152 177.584 -0.022 0.000 1.164 161 A CA -0.558 51.464 52.037 -0.025 0.000 0.712 161 A CB 0.490 19.462 19.000 -0.047 0.000 1.303 161 A HN -0.213 nan 8.150 nan 0.000 0.418 162 D N 0.560 120.954 120.400 -0.009 0.000 2.312 162 D HA 0.582 5.218 4.640 -0.007 0.000 0.252 162 D C -0.670 175.582 176.300 -0.080 0.000 1.150 162 D CA 0.803 54.792 54.000 -0.019 0.000 0.870 162 D CB 0.674 41.513 40.800 0.064 0.000 1.153 162 D HN 0.380 nan 8.370 nan 0.000 0.457 163 I N 1.682 122.163 120.570 -0.149 0.000 2.647 163 I HA 0.298 4.464 4.170 -0.007 0.000 0.295 163 I C 0.066 176.093 176.117 -0.149 0.000 1.078 163 I CA -1.015 60.206 61.300 -0.131 0.000 1.048 163 I CB 2.087 40.016 38.000 -0.118 0.000 1.239 163 I HN -0.074 nan 8.210 nan 0.000 0.421 164 R N 5.795 126.240 120.500 -0.093 0.000 2.198 164 R HA 0.482 4.818 4.340 -0.007 0.000 0.339 164 R C -0.767 175.496 176.300 -0.063 0.000 1.020 164 R CA -0.793 55.263 56.100 -0.073 0.000 0.864 164 R CB 0.347 30.632 30.300 -0.024 0.000 1.105 164 R HN 0.554 nan 8.270 nan 0.000 0.463 165 I N 5.633 126.155 120.570 -0.081 0.000 2.752 165 I HA -0.178 3.988 4.170 -0.007 0.000 0.289 165 I C 1.522 177.626 176.117 -0.022 0.000 1.197 165 I CA 0.440 61.706 61.300 -0.057 0.000 1.432 165 I CB 0.542 38.499 38.000 -0.071 0.000 1.359 165 I HN 0.498 nan 8.210 nan 0.000 0.571 166 L N 3.668 124.887 121.223 -0.007 0.000 2.445 166 L HA 0.226 4.562 4.340 -0.007 0.000 0.207 166 L C 0.738 177.616 176.870 0.013 0.000 1.053 166 L CA 0.500 55.345 54.840 0.008 0.000 0.841 166 L CB 0.262 42.327 42.059 0.009 0.000 1.074 166 L HN 0.641 nan 8.230 nan 0.000 0.479 167 S N -0.245 115.462 115.700 0.011 0.000 2.592 167 S HA 0.488 4.954 4.470 -0.007 0.000 0.275 167 S C -0.955 173.656 174.600 0.019 0.000 1.169 167 S CA -0.544 57.665 58.200 0.016 0.000 0.958 167 S CB 1.108 64.315 63.200 0.011 0.000 1.095 167 S HN 0.086 nan 8.310 nan 0.000 0.471 168 I N 5.871 126.457 120.570 0.027 0.000 2.291 168 I HA 0.298 4.464 4.170 -0.007 0.000 0.292 168 I C 1.067 177.206 176.117 0.037 0.000 1.064 168 I CA -0.573 60.747 61.300 0.033 0.000 1.269 168 I CB 0.993 39.019 38.000 0.044 0.000 1.418 168 I HN 0.529 nan 8.210 nan 0.000 0.485 169 K N 3.257 123.678 120.400 0.035 0.000 2.155 169 K HA 0.017 4.333 4.320 -0.007 0.000 0.203 169 K C 0.974 177.601 176.600 0.046 0.000 1.052 169 K CA 0.534 56.843 56.287 0.036 0.000 0.948 169 K CB -0.335 32.187 32.500 0.036 0.000 0.728 169 K HN 0.669 nan 8.250 nan 0.000 0.448 170 S N 0.127 115.859 115.700 0.052 0.000 2.632 170 S HA 0.148 4.615 4.470 -0.007 0.000 0.267 170 S C 1.184 175.833 174.600 0.082 0.000 1.276 170 S CA -0.481 57.760 58.200 0.068 0.000 0.998 170 S CB 1.150 64.390 63.200 0.066 0.000 0.953 170 S HN 0.094 nan 8.310 nan 0.000 0.547 171 T N 0.703 115.321 114.554 0.106 0.000 2.881 171 T HA 0.044 4.390 4.350 -0.007 0.000 0.270 171 T C 0.874 175.655 174.700 0.135 0.000 1.068 171 T CA 1.793 63.966 62.100 0.121 0.000 1.131 171 T CB -0.396 68.569 68.868 0.161 0.000 0.871 171 T HN 0.912 nan 8.240 nan 0.000 0.479 172 T N 0.072 114.707 114.554 0.135 0.000 3.193 172 T HA 0.519 4.865 4.350 -0.007 0.000 0.332 172 T C -2.163 172.588 174.700 0.084 0.000 1.208 172 T CA -0.918 61.266 62.100 0.139 0.000 1.080 172 T CB 1.347 70.356 68.868 0.235 0.000 1.180 172 T HN 0.023 nan 8.240 nan 0.000 0.469 173 L N 5.005 126.267 121.223 0.064 0.000 2.319 173 L HA 0.747 5.083 4.340 -0.007 0.000 0.281 173 L C -0.483 176.397 176.870 0.018 0.000 1.005 173 L CA -0.305 54.555 54.840 0.033 0.000 0.828 173 L CB 1.091 43.165 42.059 0.024 0.000 1.227 173 L HN 0.702 nan 8.230 nan 0.000 0.415 174 R N 4.276 124.778 120.500 0.003 0.000 2.514 174 R HA 0.800 5.136 4.340 -0.007 0.000 0.301 174 R C -1.412 174.888 176.300 -0.001 0.000 0.962 174 R CA -0.953 55.143 56.100 -0.006 0.000 0.882 174 R CB 2.217 32.499 30.300 -0.030 0.000 1.143 174 R HN 0.419 nan 8.270 nan 0.000 0.452 175 V N 2.006 121.925 119.914 0.007 0.000 2.588 175 V HA 0.205 4.321 4.120 -0.007 0.000 0.304 175 V C -0.725 175.387 176.094 0.029 0.000 1.042 175 V CA -1.035 61.275 62.300 0.016 0.000 0.877 175 V CB 2.150 33.984 31.823 0.018 0.000 0.996 175 V HN 0.648 nan 8.190 nan 0.000 0.425 176 D N 3.569 123.987 120.400 0.030 0.000 2.339 176 D HA 0.318 4.954 4.640 -0.007 0.000 0.241 176 D C 0.471 176.801 176.300 0.050 0.000 1.183 176 D CA 0.069 54.091 54.000 0.037 0.000 0.859 176 D CB 1.653 42.474 40.800 0.035 0.000 1.067 176 D HN 0.575 nan 8.370 nan 0.000 0.484 177 Q N 0.561 120.394 119.800 0.055 0.000 2.179 177 Q HA 0.039 4.375 4.340 -0.007 0.000 0.213 177 Q C 1.383 177.404 176.000 0.036 0.000 0.833 177 Q CA -0.116 55.726 55.803 0.064 0.000 0.990 177 Q CB 0.556 29.349 28.738 0.092 0.000 1.132 177 Q HN 0.371 nan 8.270 nan 0.000 0.493 178 S N 1.437 117.156 115.700 0.032 0.000 2.400 178 S HA -0.170 4.296 4.470 -0.007 0.000 0.232 178 S C 1.989 176.597 174.600 0.014 0.000 1.025 178 S CA 1.040 59.254 58.200 0.022 0.000 0.993 178 S CB -0.480 62.737 63.200 0.027 0.000 0.808 178 S HN 0.582 nan 8.310 nan 0.000 0.478 179 I N -0.238 120.342 120.570 0.017 0.000 2.614 179 I HA 0.072 4.238 4.170 -0.007 0.000 0.258 179 I C 1.859 177.972 176.117 -0.007 0.000 1.189 179 I CA 1.304 62.610 61.300 0.009 0.000 1.462 179 I CB -0.636 37.373 38.000 0.015 0.000 1.092 179 I HN 0.360 nan 8.210 nan 0.000 0.442 180 L N 1.199 122.412 121.223 -0.017 0.000 2.467 180 L HA 0.097 4.433 4.340 -0.007 0.000 0.213 180 L C 2.204 179.029 176.870 -0.075 0.000 1.053 180 L CA 1.478 56.283 54.840 -0.058 0.000 0.847 180 L CB -0.007 41.999 42.059 -0.089 0.000 1.075 180 L HN 0.385 nan 8.230 nan 0.000 0.479 181 T N -5.110 109.412 114.554 -0.053 0.000 2.975 181 T HA 0.347 4.693 4.350 -0.007 0.000 0.257 181 T C 1.382 176.073 174.700 -0.014 0.000 1.003 181 T CA 0.318 62.389 62.100 -0.048 0.000 0.932 181 T CB 0.539 69.379 68.868 -0.047 0.000 1.087 181 T HN 0.423 nan 8.240 nan 0.000 0.512 182 G N 1.670 110.467 108.800 -0.005 0.000 2.148 182 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.254 182 G HA3 -0.247 3.709 3.960 -0.007 0.000 0.254 182 G C -0.259 174.648 174.900 0.011 0.000 0.981 182 G CA 0.072 45.175 45.100 0.006 0.000 0.670 182 G HN 0.663 nan 8.290 nan 0.000 0.528 183 E N 0.665 120.874 120.200 0.014 0.000 2.324 183 E HA 0.413 4.759 4.350 -0.007 0.000 0.271 183 E C 1.299 177.912 176.600 0.022 0.000 1.028 183 E CA 0.199 56.612 56.400 0.021 0.000 0.890 183 E CB 0.744 30.460 29.700 0.027 0.000 1.004 183 E HN 0.210 nan 8.360 nan 0.000 0.431 184 S N 1.558 117.269 115.700 0.019 0.000 2.382 184 S HA -0.095 4.371 4.470 -0.007 0.000 0.228 184 S C 0.789 175.403 174.600 0.023 0.000 1.027 184 S CA 0.668 58.878 58.200 0.017 0.000 0.991 184 S CB 0.096 63.302 63.200 0.011 0.000 0.823 184 S HN 0.503 nan 8.310 nan 0.000 0.469 185 V N 0.970 120.898 119.914 0.024 0.000 2.680 185 V HA 0.718 4.834 4.120 -0.007 0.000 0.309 185 V C -0.089 176.019 176.094 0.022 0.000 1.052 185 V CA -1.093 61.220 62.300 0.022 0.000 0.908 185 V CB 1.836 33.669 31.823 0.017 0.000 1.001 185 V HN 0.290 nan 8.190 nan 0.000 0.431 186 S N 4.260 119.970 115.700 0.017 0.000 2.563 186 S HA 0.391 4.857 4.470 -0.007 0.000 0.284 186 S C 0.119 174.727 174.600 0.014 0.000 1.331 186 S CA 0.161 58.371 58.200 0.016 0.000 1.047 186 S CB 1.069 64.272 63.200 0.005 0.000 0.859 186 S HN 2.202 nan 8.310 nan 0.000 0.514 187 V N 2.379 122.308 119.914 0.025 0.000 2.435 187 V HA 0.579 4.695 4.120 -0.007 0.000 0.290 187 V C -0.268 175.843 176.094 0.029 0.000 1.030 187 V CA -1.154 61.166 62.300 0.034 0.000 0.881 187 V CB 0.684 32.539 31.823 0.053 0.000 0.983 187 V HN 0.891 nan 8.190 nan 0.000 0.445 188 I N 6.683 127.276 120.570 0.039 0.000 2.452 188 I HA 0.313 4.479 4.170 -0.007 0.000 0.287 188 I C 0.549 176.706 176.117 0.067 0.000 1.079 188 I CA 0.084 61.416 61.300 0.053 0.000 1.387 188 I CB 0.476 38.524 38.000 0.080 0.000 1.404 188 I HN 0.580 nan 8.210 nan 0.000 0.522 189 K N 5.644 126.069 120.400 0.040 0.000 2.098 189 K HA 0.492 4.808 4.320 -0.007 0.000 0.258 189 K C -0.503 176.124 176.600 0.045 0.000 0.973 189 K CA -0.636 55.642 56.287 -0.015 0.000 0.898 189 K CB 1.783 34.248 32.500 -0.058 0.000 1.057 189 K HN 0.687 nan 8.250 nan 0.000 0.447 190 H N -3.159 115.928 119.070 0.028 0.000 2.949 190 H HA 0.413 4.965 4.556 -0.007 0.000 0.310 190 H C -0.320 175.020 175.328 0.020 0.000 1.405 190 H CA -0.772 55.294 56.048 0.030 0.000 1.253 190 H CB 1.368 31.152 29.762 0.037 0.000 1.932 190 H HN 0.387 nan 8.280 nan 0.000 0.602 191 T N -0.213 114.477 114.554 0.227 0.000 3.355 191 T HA 0.248 4.594 4.350 -0.007 0.000 0.276 191 T C -0.934 173.878 174.700 0.187 0.000 1.003 191 T CA -0.394 61.779 62.100 0.120 0.000 0.943 191 T CB -0.706 68.206 68.868 0.072 0.000 1.158 191 T HN 0.563 nan 8.240 nan 0.000 0.513 192 E N 1.913 122.354 120.200 0.402 0.000 2.299 192 E HA 0.416 4.762 4.350 -0.007 0.000 0.265 192 E C -2.891 173.863 176.600 0.257 0.000 0.911 192 E CA -2.527 54.028 56.400 0.257 0.000 0.789 192 E CB 1.937 31.720 29.700 0.139 0.000 1.246 192 E HN 0.148 nan 8.360 nan 0.000 0.427 193 P HA -0.005 nan 4.420 nan 0.000 0.266 193 P C -0.601 176.798 177.300 0.165 0.000 1.195 193 P CA -0.075 63.096 63.100 0.118 0.000 0.768 193 P CB 0.436 32.174 31.700 0.064 0.000 0.838 194 V N 6.100 126.122 119.914 0.181 0.000 2.259 194 V HA 0.143 4.259 4.120 -0.007 0.000 0.267 194 V C -1.447 174.755 176.094 0.179 0.000 1.051 194 V CA -1.166 61.261 62.300 0.212 0.000 0.830 194 V CB 0.773 32.758 31.823 0.269 0.000 1.080 194 V HN 0.548 nan 8.190 nan 0.000 0.467 195 P HA -0.096 nan 4.420 nan 0.000 0.214 195 P C 0.600 177.960 177.300 0.099 0.000 1.162 195 P CA 0.655 63.805 63.100 0.082 0.000 0.879 195 P CB 0.071 31.807 31.700 0.059 0.000 0.786 196 D N -0.132 120.330 120.400 0.103 0.000 3.139 196 D HA -0.125 4.511 4.640 -0.007 0.000 0.212 196 D C -1.506 174.862 176.300 0.114 0.000 1.084 196 D CA -0.141 53.916 54.000 0.096 0.000 0.777 196 D CB 0.421 41.277 40.800 0.092 0.000 1.156 196 D HN 0.120 nan 8.370 nan 0.000 0.537 197 P HA 0.078 nan 4.420 nan 0.000 0.226 197 P C 0.729 178.081 177.300 0.086 0.000 1.161 197 P CA 0.591 63.745 63.100 0.090 0.000 0.804 197 P CB 0.340 32.078 31.700 0.063 0.000 0.829 198 R N -0.287 120.258 120.500 0.075 0.000 2.334 198 R HA 0.359 4.695 4.340 -0.007 0.000 0.220 198 R C 0.617 176.955 176.300 0.064 0.000 0.917 198 R CA -0.253 55.887 56.100 0.068 0.000 1.073 198 R CB -0.098 30.241 30.300 0.065 0.000 1.056 198 R HN 0.057 nan 8.270 nan 0.000 0.506 199 A N 1.190 124.051 122.820 0.068 0.000 2.520 199 A HA 0.267 4.583 4.320 -0.007 0.000 0.245 199 A C 0.276 177.851 177.584 -0.015 0.000 1.072 199 A CA -0.007 52.055 52.037 0.041 0.000 0.761 199 A CB 0.362 19.400 19.000 0.063 0.000 1.004 199 A HN 0.019 nan 8.150 nan 0.000 0.499 200 V N 2.759 122.666 119.914 -0.012 0.000 3.193 200 V HA 0.182 4.298 4.120 -0.007 0.000 0.320 200 V C 1.328 177.388 176.094 -0.056 0.000 1.112 200 V CA -0.698 61.583 62.300 -0.032 0.000 1.026 200 V CB 1.653 33.483 31.823 0.011 0.000 1.128 200 V HN 1.001 nan 8.190 nan 0.000 0.452 201 N N 1.611 120.252 118.700 -0.098 0.000 2.091 201 N HA -0.190 4.546 4.740 -0.007 0.000 0.193 201 N C 1.630 177.130 175.510 -0.016 0.000 1.021 201 N CA 1.631 54.595 53.050 -0.144 0.000 0.862 201 N CB -0.209 38.021 38.487 -0.427 0.000 1.018 201 N HN 0.771 nan 8.380 nan 0.000 0.429 202 Q N -0.115 119.676 119.800 -0.015 0.000 2.515 202 Q HA -0.006 4.330 4.340 -0.007 0.000 0.212 202 Q C -0.226 175.811 176.000 0.062 0.000 0.970 202 Q CA 0.812 56.637 55.803 0.037 0.000 0.941 202 Q CB 0.169 28.923 28.738 0.026 0.000 0.998 202 Q HN 0.356 nan 8.270 nan 0.000 0.518 203 D N 1.264 121.696 120.400 0.055 0.000 2.423 203 D HA 0.063 4.699 4.640 -0.007 0.000 0.212 203 D C -0.091 176.253 176.300 0.074 0.000 1.060 203 D CA 0.117 54.157 54.000 0.067 0.000 0.872 203 D CB 0.332 41.164 40.800 0.053 0.000 1.012 203 D HN 0.197 nan 8.370 nan 0.000 0.503 204 K N 2.055 122.492 120.400 0.062 0.000 2.199 204 K HA 0.071 4.387 4.320 -0.007 0.000 0.226 204 K C 0.880 177.494 176.600 0.024 0.000 1.237 204 K CA 0.114 56.434 56.287 0.055 0.000 1.170 204 K CB 0.370 32.944 32.500 0.123 0.000 1.418 204 K HN -0.160 nan 8.250 nan 0.000 0.255 205 K N 0.882 121.259 120.400 -0.039 0.000 2.505 205 K HA -0.053 4.263 4.320 -0.007 0.000 0.192 205 K C 0.524 176.839 176.600 -0.474 0.000 1.025 205 K CA 0.520 56.712 56.287 -0.159 0.000 1.086 205 K CB -0.065 32.426 32.500 -0.015 0.000 0.840 205 K HN 0.628 nan 8.250 nan 0.000 0.514 206 N N -0.853 117.607 118.700 -0.401 0.000 2.235 206 N HA 0.106 4.843 4.740 -0.007 0.000 0.231 206 N C -0.168 175.207 175.510 -0.224 0.000 1.177 206 N CA -0.292 52.540 53.050 -0.363 0.000 0.874 206 N CB 0.447 38.775 38.487 -0.265 0.000 1.097 206 N HN -0.184 nan 8.380 nan 0.000 0.518 207 M N 1.303 120.735 119.600 -0.280 0.000 2.602 207 M HA 0.464 4.941 4.480 -0.007 0.000 0.312 207 M C -1.097 174.826 176.300 -0.627 0.000 1.181 207 M CA -0.618 54.421 55.300 -0.436 0.000 0.910 207 M CB 2.358 34.636 32.600 -0.537 0.000 1.723 207 M HN 0.040 nan 8.290 nan 0.000 0.459 208 L N 2.347 123.202 121.223 -0.613 0.000 2.349 208 L HA 0.545 4.881 4.340 -0.007 0.000 0.278 208 L C -1.293 175.267 176.870 -0.518 0.000 0.996 208 L CA -0.419 54.127 54.840 -0.490 0.000 0.825 208 L CB 1.295 43.220 42.059 -0.224 0.000 1.243 208 L HN 0.506 nan 8.230 nan 0.000 0.412 209 F N 0.816 120.752 119.950 -0.023 0.000 2.408 209 F HA 0.289 4.812 4.527 -0.007 0.000 0.344 209 F C 1.137 176.925 175.800 -0.021 0.000 1.112 209 F CA -0.435 57.552 58.000 -0.021 0.000 1.096 209 F CB 1.667 40.655 39.000 -0.020 0.000 1.129 209 F HN 0.407 nan 8.300 nan 0.000 0.486 210 S N 2.061 117.846 115.700 0.141 0.000 2.558 210 S HA 0.344 4.810 4.470 -0.007 0.000 0.293 210 S C 1.105 175.752 174.600 0.078 0.000 1.292 210 S CA 0.938 59.181 58.200 0.072 0.000 1.063 210 S CB 0.075 63.305 63.200 0.049 0.000 0.831 210 S HN 1.187 nan 8.310 nan 0.000 0.499 211 G N 3.164 111.990 108.800 0.044 0.000 2.308 211 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.221 211 G HA3 -0.221 3.735 3.960 -0.007 0.000 0.221 211 G C 0.479 175.403 174.900 0.039 0.000 1.032 211 G CA 0.249 45.371 45.100 0.036 0.000 0.623 211 G HN 0.929 nan 8.290 nan 0.000 0.506 212 T N 1.925 116.515 114.554 0.061 0.000 2.788 212 T HA 0.515 4.861 4.350 -0.007 0.000 0.287 212 T C 0.264 174.984 174.700 0.034 0.000 1.007 212 T CA 0.424 62.562 62.100 0.063 0.000 1.005 212 T CB 0.904 69.841 68.868 0.116 0.000 1.012 212 T HN 0.799 nan 8.240 nan 0.000 0.530 213 N N 0.907 119.625 118.700 0.029 0.000 2.405 213 N HA 0.252 4.988 4.740 -0.007 0.000 0.285 213 N C -1.403 174.111 175.510 0.008 0.000 1.262 213 N CA -0.690 52.366 53.050 0.011 0.000 0.773 213 N CB 1.031 39.522 38.487 0.007 0.000 1.490 213 N HN 0.249 nan 8.380 nan 0.000 0.486 214 I N 1.610 122.178 120.570 -0.004 0.000 2.352 214 I HA 0.222 4.388 4.170 -0.007 0.000 0.290 214 I C 1.462 177.575 176.117 -0.006 0.000 1.036 214 I CA -0.442 60.854 61.300 -0.006 0.000 1.336 214 I CB 0.148 38.142 38.000 -0.011 0.000 1.407 214 I HN 0.817 nan 8.210 nan 0.000 0.497 215 A N 5.361 128.178 122.820 -0.005 0.000 1.984 215 A HA 0.611 4.927 4.320 -0.007 0.000 0.214 215 A C 0.946 178.521 177.584 -0.015 0.000 1.173 215 A CA 0.964 52.994 52.037 -0.011 0.000 0.673 215 A CB 0.166 19.160 19.000 -0.010 0.000 0.830 215 A HN 0.834 nan 8.150 nan 0.000 0.453 216 A N -2.958 119.856 122.820 -0.009 0.000 2.599 216 A HA 0.634 4.950 4.320 -0.007 0.000 0.294 216 A C 0.278 177.868 177.584 0.008 0.000 1.055 216 A CA 0.175 52.210 52.037 -0.003 0.000 0.683 216 A CB -0.110 18.883 19.000 -0.011 0.000 1.278 216 A HN 2.161 nan 8.150 nan 0.000 0.412 217 G N 0.358 109.170 108.800 0.019 0.000 2.660 217 G HA2 0.322 4.278 3.960 -0.007 0.000 0.247 217 G HA3 0.322 4.278 3.960 -0.007 0.000 0.247 217 G C -0.571 174.342 174.900 0.022 0.000 1.328 217 G CA 0.032 45.149 45.100 0.029 0.000 0.884 217 G HN 1.331 nan 8.290 nan 0.000 0.531 218 K N -0.543 119.873 120.400 0.026 0.000 2.532 218 K HA 0.774 5.090 4.320 -0.007 0.000 0.265 218 K C -0.636 175.978 176.600 0.024 0.000 0.948 218 K CA -0.149 56.151 56.287 0.023 0.000 0.842 218 K CB 1.893 34.412 32.500 0.031 0.000 1.392 218 K HN 2.136 nan 8.250 nan 0.000 0.436 219 A N 2.345 125.178 122.820 0.020 0.000 2.606 219 A HA 0.661 4.977 4.320 -0.007 0.000 0.293 219 A C -2.206 175.393 177.584 0.025 0.000 1.082 219 A CA -0.712 51.335 52.037 0.017 0.000 0.685 219 A CB 1.527 20.527 19.000 0.000 0.000 1.284 219 A HN 0.512 nan 8.150 nan 0.000 0.408 220 L N 0.762 122.000 121.223 0.025 0.000 2.341 220 L HA 0.836 5.172 4.340 -0.007 0.000 0.278 220 L C 0.381 177.256 176.870 0.008 0.000 1.005 220 L CA 0.501 55.361 54.840 0.035 0.000 0.818 220 L CB 1.887 43.971 42.059 0.041 0.000 1.259 220 L HN 1.164 nan 8.230 nan 0.000 0.418 221 G N 4.107 112.907 108.800 -0.000 0.000 2.798 221 G HA2 0.550 4.506 3.960 -0.007 0.000 0.286 221 G HA3 0.550 4.506 3.960 -0.007 0.000 0.286 221 G C -1.942 172.940 174.900 -0.030 0.000 1.389 221 G CA -0.443 44.643 45.100 -0.024 0.000 0.894 221 G HN 0.466 nan 8.290 nan 0.000 0.488 222 I N 1.058 121.599 120.570 -0.047 0.000 2.465 222 I HA 0.449 4.615 4.170 -0.007 0.000 0.291 222 I C -0.211 175.834 176.117 -0.120 0.000 1.014 222 I CA -0.731 60.520 61.300 -0.081 0.000 1.093 222 I CB 1.626 39.598 38.000 -0.046 0.000 1.267 222 I HN 0.199 nan 8.210 nan 0.000 0.431 223 V N 8.618 128.424 119.914 -0.181 0.000 2.485 223 V HA 0.125 4.241 4.120 -0.007 0.000 0.287 223 V C 1.320 177.304 176.094 -0.184 0.000 1.022 223 V CA 0.565 62.761 62.300 -0.174 0.000 1.067 223 V CB 0.571 32.284 31.823 -0.183 0.000 0.967 223 V HN 0.957 nan 8.190 nan 0.000 0.479 224 A N 4.852 127.623 122.820 -0.083 0.000 1.871 224 A HA 0.232 4.548 4.320 -0.007 0.000 0.211 224 A C 1.154 178.725 177.584 -0.022 0.000 1.207 224 A CA 1.232 53.266 52.037 -0.005 0.000 0.620 224 A CB 0.027 19.029 19.000 0.003 0.000 0.860 224 A HN 0.842 nan 8.150 nan 0.000 0.450 225 T N -3.743 110.787 114.554 -0.040 0.000 2.838 225 T HA 0.646 4.992 4.350 -0.007 0.000 0.292 225 T C -0.462 174.214 174.700 -0.039 0.000 1.113 225 T CA 0.115 62.189 62.100 -0.043 0.000 1.008 225 T CB 1.661 70.533 68.868 0.006 0.000 1.259 225 T HN 0.743 nan 8.240 nan 0.000 0.520 226 T N -2.976 111.565 114.554 -0.021 0.000 2.731 226 T HA 0.733 5.079 4.350 -0.007 0.000 0.300 226 T C 1.020 175.739 174.700 0.032 0.000 1.283 226 T CA -0.182 61.919 62.100 0.002 0.000 1.005 226 T CB 0.866 69.734 68.868 0.000 0.000 1.420 226 T HN 1.906 nan 8.240 nan 0.000 0.503 227 G N 0.405 109.229 108.800 0.041 0.000 2.684 227 G HA2 -0.319 3.637 3.960 -0.007 0.000 0.342 227 G HA3 -0.319 3.637 3.960 -0.007 0.000 0.342 227 G C 1.148 176.071 174.900 0.039 0.000 1.316 227 G CA 1.083 46.211 45.100 0.047 0.000 0.994 227 G HN 1.510 nan 8.290 nan 0.000 0.541 228 V N 1.020 120.959 119.914 0.041 0.000 2.828 228 V HA -0.100 4.016 4.120 -0.007 0.000 0.260 228 V C 2.612 178.726 176.094 0.032 0.000 1.101 228 V CA 2.666 64.985 62.300 0.032 0.000 1.123 228 V CB -0.038 31.804 31.823 0.031 0.000 0.704 228 V HN 0.610 nan 8.190 nan 0.000 0.493 229 S N -0.682 115.041 115.700 0.039 0.000 2.575 229 S HA 0.047 4.513 4.470 -0.007 0.000 0.215 229 S C 1.014 175.638 174.600 0.040 0.000 0.966 229 S CA 0.363 58.587 58.200 0.040 0.000 0.911 229 S CB -0.174 63.054 63.200 0.046 0.000 0.780 229 S HN 0.809 nan 8.310 nan 0.000 0.514 230 T N 0.284 114.862 114.554 0.040 0.000 2.816 230 T HA 0.288 4.634 4.350 -0.007 0.000 0.282 230 T C 0.965 175.693 174.700 0.045 0.000 0.993 230 T CA -0.616 61.518 62.100 0.057 0.000 0.994 230 T CB 0.731 69.633 68.868 0.057 0.000 1.025 230 T HN -0.100 nan 8.240 nan 0.000 0.529 231 E N 0.009 120.244 120.200 0.059 0.000 2.204 231 E HA -0.085 4.261 4.350 -0.007 0.000 0.195 231 E C 1.966 178.549 176.600 -0.029 0.000 0.990 231 E CA 0.579 56.969 56.400 -0.016 0.000 0.821 231 E CB -0.165 29.465 29.700 -0.116 0.000 0.750 231 E HN 0.542 nan 8.360 nan 0.000 0.477 232 I N 0.453 121.025 120.570 0.003 0.000 2.286 232 I HA -0.114 4.052 4.170 -0.007 0.000 0.245 232 I C 2.339 178.455 176.117 -0.002 0.000 1.104 232 I CA 1.160 62.459 61.300 -0.002 0.000 1.397 232 I CB -1.406 36.603 38.000 0.016 0.000 1.072 232 I HN 0.041 nan 8.210 nan 0.000 0.417 233 G N 0.920 109.726 108.800 0.009 0.000 2.434 233 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.214 233 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.214 233 G C 1.742 176.642 174.900 -0.000 0.000 1.202 233 G CA 0.451 45.556 45.100 0.009 0.000 0.788 233 G HN 0.306 nan 8.290 nan 0.000 0.539 234 K N 0.023 120.422 120.400 -0.002 0.000 2.052 234 K HA -0.136 4.180 4.320 -0.007 0.000 0.215 234 K C 2.413 179.000 176.600 -0.022 0.000 1.053 234 K CA 1.532 57.813 56.287 -0.010 0.000 0.934 234 K CB -0.359 32.132 32.500 -0.014 0.000 0.717 234 K HN 0.333 nan 8.250 nan 0.000 0.450 235 I N 0.535 121.088 120.570 -0.029 0.000 2.394 235 I HA -0.219 3.947 4.170 -0.007 0.000 0.251 235 I C 2.719 178.818 176.117 -0.029 0.000 1.136 235 I CA 0.688 61.967 61.300 -0.036 0.000 1.425 235 I CB -0.160 37.814 38.000 -0.044 0.000 1.079 235 I HN 0.171 nan 8.210 nan 0.000 0.425 236 R N 0.915 121.402 120.500 -0.021 0.000 2.083 236 R HA -0.196 4.140 4.340 -0.007 0.000 0.237 236 R C 1.781 178.070 176.300 -0.018 0.000 1.137 236 R CA 1.983 58.072 56.100 -0.017 0.000 0.951 236 R CB -0.376 29.918 30.300 -0.009 0.000 0.851 236 R HN 0.349 nan 8.270 nan 0.000 0.434 237 D N 0.187 120.578 120.400 -0.015 0.000 2.078 237 D HA -0.186 4.450 4.640 -0.007 0.000 0.193 237 D C 1.864 178.151 176.300 -0.022 0.000 0.990 237 D CA 0.918 54.909 54.000 -0.015 0.000 0.827 237 D CB -0.391 40.403 40.800 -0.010 0.000 0.975 237 D HN 0.271 nan 8.370 nan 0.000 0.451 238 Q N -0.134 119.650 119.800 -0.027 0.000 2.142 238 Q HA -0.239 4.097 4.340 -0.007 0.000 0.213 238 Q C 2.132 178.110 176.000 -0.036 0.000 1.004 238 Q CA 1.636 57.418 55.803 -0.035 0.000 0.883 238 Q CB -0.188 28.525 28.738 -0.042 0.000 0.939 238 Q HN 0.278 nan 8.270 nan 0.000 0.413 239 M N -0.783 118.796 119.600 -0.034 0.000 2.175 239 M HA -0.118 4.358 4.480 -0.007 0.000 0.264 239 M C 1.819 178.101 176.300 -0.031 0.000 1.063 239 M CA 1.795 57.075 55.300 -0.033 0.000 1.119 239 M CB -0.153 32.429 32.600 -0.031 0.000 1.377 239 M HN 0.261 nan 8.290 nan 0.000 0.415 240 A N -0.326 122.478 122.820 -0.027 0.000 2.119 240 A HA 0.251 4.567 4.320 -0.007 0.000 0.216 240 A C 1.961 179.531 177.584 -0.024 0.000 1.152 240 A CA 1.133 53.155 52.037 -0.024 0.000 0.708 240 A CB -0.610 18.377 19.000 -0.020 0.000 0.805 240 A HN 0.627 nan 8.150 nan 0.000 0.460 241 A N -0.901 121.903 122.820 -0.026 0.000 2.275 241 A HA 0.312 4.628 4.320 -0.007 0.000 0.212 241 A C 0.887 178.452 177.584 -0.032 0.000 1.201 241 A CA 0.360 52.381 52.037 -0.027 0.000 0.843 241 A CB -0.361 18.623 19.000 -0.026 0.000 0.873 241 A HN 0.229 nan 8.150 nan 0.000 0.492 242 T N 1.928 116.461 114.554 -0.034 0.000 2.794 242 T HA 0.284 4.630 4.350 -0.007 0.000 0.296 242 T C -0.016 174.664 174.700 -0.034 0.000 0.949 242 T CA 0.014 62.091 62.100 -0.038 0.000 1.101 242 T CB 0.706 69.549 68.868 -0.042 0.000 0.905 242 T HN 0.485 nan 8.240 nan 0.000 0.516 243 E N 2.360 122.540 120.200 -0.034 0.000 2.314 243 E HA 0.355 4.701 4.350 -0.007 0.000 0.262 243 E C -0.106 176.477 176.600 -0.028 0.000 1.093 243 E CA -0.637 55.746 56.400 -0.028 0.000 0.908 243 E CB 0.893 30.578 29.700 -0.026 0.000 1.091 243 E HN 0.513 nan 8.360 nan 0.000 0.425 244 Q N 1.249 121.035 119.800 -0.023 0.000 2.305 244 Q HA 0.217 4.553 4.340 -0.007 0.000 0.271 244 Q C -1.340 174.651 176.000 -0.015 0.000 1.046 244 Q CA -0.764 55.026 55.803 -0.021 0.000 0.798 244 Q CB 2.009 30.734 28.738 -0.022 0.000 1.286 244 Q HN 0.439 nan 8.270 nan 0.000 0.435 245 D N 1.584 121.976 120.400 -0.014 0.000 2.414 245 D HA 0.166 4.802 4.640 -0.007 0.000 0.251 245 D C -0.082 176.215 176.300 -0.005 0.000 1.252 245 D CA -0.066 53.929 54.000 -0.007 0.000 0.999 245 D CB 0.774 41.571 40.800 -0.005 0.000 1.093 245 D HN 0.176 nan 8.370 nan 0.000 0.515 246 K N -0.153 120.248 120.400 0.001 0.000 2.168 246 K HA 0.223 4.539 4.320 -0.007 0.000 0.258 246 K C 0.279 176.881 176.600 0.004 0.000 1.010 246 K CA -0.444 55.845 56.287 0.004 0.000 0.929 246 K CB 0.422 32.929 32.500 0.012 0.000 0.998 246 K HN 0.492 nan 8.250 nan 0.000 0.479 247 T N -0.588 113.969 114.554 0.004 0.000 2.934 247 T HA -0.011 4.335 4.350 -0.007 0.000 0.321 247 T C -1.896 172.811 174.700 0.013 0.000 1.080 247 T CA -1.144 60.959 62.100 0.004 0.000 1.132 247 T CB 0.312 69.183 68.868 0.006 0.000 1.039 247 T HN 0.300 nan 8.240 nan 0.000 0.543 248 P HA -0.042 nan 4.420 nan 0.000 0.219 248 P C 1.557 178.879 177.300 0.037 0.000 1.146 248 P CA 0.282 63.389 63.100 0.011 0.000 0.808 248 P CB -0.018 31.674 31.700 -0.014 0.000 0.779 249 L N -0.016 121.235 121.223 0.046 0.000 2.023 249 L HA -0.136 4.201 4.340 -0.007 0.000 0.205 249 L C 2.456 179.369 176.870 0.072 0.000 1.073 249 L CA 1.934 56.827 54.840 0.088 0.000 0.745 249 L CB -1.493 40.617 42.059 0.086 0.000 0.900 249 L HN -0.180 nan 8.230 nan 0.000 0.435 250 Q N -0.333 119.497 119.800 0.049 0.000 2.152 250 Q HA -0.284 4.052 4.340 -0.007 0.000 0.206 250 Q C 2.233 178.265 176.000 0.053 0.000 0.985 250 Q CA 2.179 58.009 55.803 0.045 0.000 0.863 250 Q CB -0.310 28.446 28.738 0.030 0.000 0.904 250 Q HN 0.672 nan 8.270 nan 0.000 0.422 251 Q N -0.853 118.977 119.800 0.050 0.000 2.119 251 Q HA -0.144 4.192 4.340 -0.007 0.000 0.201 251 Q C 1.831 177.875 176.000 0.073 0.000 0.972 251 Q CA 1.290 57.124 55.803 0.052 0.000 0.847 251 Q CB 0.059 28.821 28.738 0.040 0.000 0.903 251 Q HN 0.104 nan 8.270 nan 0.000 0.433 252 K N 0.559 121.013 120.400 0.090 0.000 2.103 252 K HA -0.025 4.291 4.320 -0.007 0.000 0.204 252 K C 1.813 178.488 176.600 0.124 0.000 1.052 252 K CA 0.811 57.168 56.287 0.117 0.000 0.945 252 K CB -0.186 32.416 32.500 0.170 0.000 0.722 252 K HN 0.147 nan 8.250 nan 0.000 0.443 253 L N 0.528 121.813 121.223 0.104 0.000 2.027 253 L HA -0.198 4.138 4.340 -0.007 0.000 0.206 253 L C 1.419 178.394 176.870 0.175 0.000 1.074 253 L CA 1.364 56.283 54.840 0.130 0.000 0.745 253 L CB -0.489 41.621 42.059 0.086 0.000 0.898 253 L HN 0.133 nan 8.230 nan 0.000 0.433 254 D N -0.290 120.179 120.400 0.114 0.000 2.218 254 D HA -0.207 4.430 4.640 -0.007 0.000 0.204 254 D C 2.016 178.367 176.300 0.084 0.000 0.976 254 D CA 0.901 54.954 54.000 0.089 0.000 0.853 254 D CB -0.015 40.822 40.800 0.062 0.000 0.939 254 D HN 0.378 nan 8.370 nan 0.000 0.481 255 E N -0.696 119.567 120.200 0.104 0.000 2.107 255 E HA -0.164 4.182 4.350 -0.007 0.000 0.191 255 E C 1.805 178.475 176.600 0.116 0.000 0.982 255 E CA 0.466 56.922 56.400 0.093 0.000 0.809 255 E CB -0.097 29.663 29.700 0.100 0.000 0.756 255 E HN 0.273 nan 8.360 nan 0.000 0.459 256 F N 0.828 120.786 119.950 0.014 0.000 2.128 256 F HA 0.115 4.638 4.527 -0.007 0.000 0.295 256 F C 2.073 177.880 175.800 0.012 0.000 1.100 256 F CA 1.770 59.777 58.000 0.011 0.000 1.260 256 F CB -0.746 38.258 39.000 0.006 0.000 1.009 256 F HN 0.045 nan 8.300 nan 0.000 0.476 257 G N 0.471 109.294 108.800 0.038 0.000 2.507 257 G HA2 -0.365 3.591 3.960 -0.007 0.000 0.221 257 G HA3 -0.365 3.591 3.960 -0.007 0.000 0.221 257 G C 1.424 176.246 174.900 -0.130 0.000 1.119 257 G CA 1.290 46.351 45.100 -0.064 0.000 0.751 257 G HN 0.645 nan 8.290 nan 0.000 0.574 258 E N -0.382 119.764 120.200 -0.089 0.000 2.250 258 E HA 0.013 4.359 4.350 -0.007 0.000 0.192 258 E C 2.236 178.760 176.600 -0.128 0.000 0.986 258 E CA 0.473 56.824 56.400 -0.082 0.000 0.849 258 E CB -0.349 29.330 29.700 -0.035 0.000 0.797 258 E HN 0.508 nan 8.360 nan 0.000 0.482 259 Q N 1.018 120.708 119.800 -0.183 0.000 2.050 259 Q HA -0.109 4.228 4.340 -0.007 0.000 0.202 259 Q C 2.469 178.311 176.000 -0.263 0.000 0.980 259 Q CA 1.606 57.280 55.803 -0.215 0.000 0.840 259 Q CB -0.218 28.392 28.738 -0.213 0.000 0.898 259 Q HN 0.392 nan 8.270 nan 0.000 0.424 260 L N -0.078 120.900 121.223 -0.408 0.000 2.042 260 L HA -0.194 4.142 4.340 -0.007 0.000 0.210 260 L C 2.414 179.187 176.870 -0.163 0.000 1.076 260 L CA 1.719 56.371 54.840 -0.315 0.000 0.749 260 L CB -0.437 41.361 42.059 -0.435 0.000 0.893 260 L HN 0.118 nan 8.230 nan 0.000 0.432 261 S N -0.543 115.071 115.700 -0.143 0.000 2.419 261 S HA -0.214 4.252 4.470 -0.007 0.000 0.235 261 S C 1.936 176.496 174.600 -0.066 0.000 1.019 261 S CA 1.644 59.795 58.200 -0.082 0.000 0.982 261 S CB -0.199 62.963 63.200 -0.063 0.000 0.789 261 S HN 0.553 nan 8.310 nan 0.000 0.490 262 K N 0.313 120.665 120.400 -0.080 0.000 2.021 262 K HA 0.034 4.350 4.320 -0.007 0.000 0.205 262 K C 2.133 178.705 176.600 -0.046 0.000 1.047 262 K CA 1.284 57.535 56.287 -0.061 0.000 0.943 262 K CB -0.727 31.729 32.500 -0.074 0.000 0.725 262 K HN 0.306 nan 8.250 nan 0.000 0.439 263 V N 1.972 121.856 119.914 -0.050 0.000 2.332 263 V HA -0.242 3.874 4.120 -0.007 0.000 0.248 263 V C 1.909 178.001 176.094 -0.003 0.000 1.055 263 V CA 1.605 63.901 62.300 -0.006 0.000 1.038 263 V CB -0.315 31.533 31.823 0.041 0.000 0.651 263 V HN 0.306 nan 8.190 nan 0.000 0.450 264 I N 0.199 120.756 120.570 -0.021 0.000 2.208 264 I HA -0.224 3.942 4.170 -0.007 0.000 0.245 264 I C 2.576 178.676 176.117 -0.028 0.000 1.097 264 I CA 2.120 63.406 61.300 -0.024 0.000 1.363 264 I CB -0.376 37.603 38.000 -0.034 0.000 1.051 264 I HN 0.371 nan 8.210 nan 0.000 0.413 265 S N 0.429 116.113 115.700 -0.027 0.000 2.436 265 S HA -0.084 4.382 4.470 -0.007 0.000 0.228 265 S C 1.801 176.396 174.600 -0.009 0.000 1.014 265 S CA 0.604 58.789 58.200 -0.024 0.000 0.950 265 S CB -0.154 63.033 63.200 -0.022 0.000 0.784 265 S HN 0.277 nan 8.310 nan 0.000 0.504 266 L N 2.192 123.414 121.223 -0.002 0.000 2.093 266 L HA -0.004 4.332 4.340 -0.007 0.000 0.208 266 L C 1.890 178.775 176.870 0.025 0.000 1.085 266 L CA 1.259 56.108 54.840 0.015 0.000 0.755 266 L CB -0.547 41.522 42.059 0.016 0.000 0.904 266 L HN 0.443 nan 8.230 nan 0.000 0.435 267 I N -3.312 117.265 120.570 0.012 0.000 2.277 267 I HA -0.159 4.007 4.170 -0.007 0.000 0.243 267 I C 2.598 178.733 176.117 0.030 0.000 1.094 267 I CA 1.506 62.813 61.300 0.013 0.000 1.393 267 I CB -1.636 36.361 38.000 -0.006 0.000 1.078 267 I HN 0.230 nan 8.210 nan 0.000 0.417 268 C N 0.680 119.975 119.300 -0.007 0.000 2.401 268 C HA -0.134 4.322 4.460 -0.007 0.000 0.276 268 C C 2.677 177.700 174.990 0.056 0.000 1.233 268 C CA 1.443 60.434 59.018 -0.045 0.000 1.753 268 C CB -1.022 26.633 27.740 -0.143 0.000 2.029 268 C HN 0.523 nan 8.230 nan 0.000 0.478 269 V N 1.617 121.575 119.914 0.074 0.000 2.251 269 V HA -0.082 4.034 4.120 -0.007 0.000 0.230 269 V C 2.798 179.038 176.094 0.244 0.000 1.032 269 V CA 2.363 64.762 62.300 0.166 0.000 0.997 269 V CB -1.671 30.214 31.823 0.103 0.000 0.643 269 V HN 0.665 nan 8.190 nan 0.000 0.462 270 A N 0.229 123.147 122.820 0.163 0.000 1.888 270 A HA -0.354 3.962 4.320 -0.007 0.000 0.249 270 A C 2.363 180.065 177.584 0.196 0.000 2.120 270 A CA 4.081 56.208 52.037 0.150 0.000 0.772 270 A CB -1.542 17.507 19.000 0.081 0.000 0.844 270 A HN 1.143 nan 8.150 nan 0.000 0.525 271 V N -4.077 115.962 119.914 0.208 0.000 2.379 271 V HA -0.151 3.965 4.120 -0.007 0.000 0.245 271 V C 2.128 178.387 176.094 0.275 0.000 1.044 271 V CA 1.898 64.342 62.300 0.241 0.000 1.036 271 V CB -1.247 30.713 31.823 0.228 0.000 0.664 271 V HN 0.748 nan 8.190 nan 0.000 0.453 272 W N 0.759 122.134 121.300 0.124 0.000 2.354 272 W HA -0.116 4.540 4.660 -0.006 0.000 0.315 272 W C 2.161 178.785 176.519 0.175 0.000 1.206 272 W CA 1.983 59.433 57.345 0.176 0.000 1.290 272 W CB -0.298 29.286 29.460 0.205 0.000 1.152 272 W HN 0.289 nan 8.180 nan 0.000 0.489 273 L N 1.019 122.589 121.223 0.579 0.000 2.127 273 L HA -0.157 4.179 4.340 -0.007 0.000 0.211 273 L C 2.126 179.041 176.870 0.074 0.000 1.089 273 L CA 1.815 56.856 54.840 0.335 0.000 0.757 273 L CB -0.813 41.473 42.059 0.380 0.000 0.899 273 L HN 0.272 nan 8.230 nan 0.000 0.434 274 I N -1.078 119.562 120.570 0.116 0.000 3.428 274 I HA -0.110 4.056 4.170 -0.007 0.000 0.286 274 I C 0.969 177.136 176.117 0.083 0.000 1.287 274 I CA 0.539 61.899 61.300 0.100 0.000 1.396 274 I CB -0.141 37.947 38.000 0.147 0.000 1.062 274 I HN 0.415 nan 8.210 nan 0.000 0.471 275 N N -0.462 118.257 118.700 0.031 0.000 2.218 275 N HA 0.083 4.819 4.740 -0.007 0.000 0.224 275 N C 1.518 176.969 175.510 -0.098 0.000 1.248 275 N CA 0.155 53.273 53.050 0.115 0.000 0.875 275 N CB 0.199 38.923 38.487 0.395 0.000 1.165 275 N HN 0.229 nan 8.380 nan 0.000 0.485 276 I N 1.261 121.591 120.570 -0.400 0.000 2.185 276 I HA -0.181 3.985 4.170 -0.007 0.000 0.246 276 I C 1.474 177.447 176.117 -0.240 0.000 1.088 276 I CA 1.696 62.683 61.300 -0.521 0.000 1.347 276 I CB -0.172 37.314 38.000 -0.857 0.000 1.041 276 I HN 0.128 nan 8.210 nan 0.000 0.415 277 G N -1.143 107.574 108.800 -0.139 0.000 3.234 277 G HA2 -0.154 3.802 3.960 -0.007 0.000 0.221 277 G HA3 -0.154 3.802 3.960 -0.007 0.000 0.221 277 G C 0.942 175.878 174.900 0.060 0.000 1.229 277 G CA 0.312 45.391 45.100 -0.036 0.000 0.909 277 G HN 0.743 nan 8.290 nan 0.000 0.510 278 H N -1.506 117.516 119.070 -0.079 0.000 2.865 278 H HA 0.189 4.741 4.556 -0.007 0.000 0.247 278 H C 0.284 175.573 175.328 -0.066 0.000 1.181 278 H CA -0.625 55.395 56.048 -0.047 0.000 0.975 278 H CB 0.435 30.195 29.762 -0.004 0.000 1.899 278 H HN 0.238 nan 8.280 nan 0.000 0.651 279 F N 0.920 120.680 119.950 -0.318 0.000 2.746 279 F HA 0.234 4.757 4.527 -0.006 0.000 0.297 279 F C 0.571 176.235 175.800 -0.227 0.000 1.113 279 F CA -0.246 57.488 58.000 -0.443 0.000 1.367 279 F CB 0.066 38.732 39.000 -0.557 0.000 1.111 279 F HN 0.031 nan 8.300 nan 0.000 0.590 280 N N 2.241 120.830 118.700 -0.186 0.000 2.395 280 N HA -0.110 4.626 4.740 -0.007 0.000 0.246 280 N C -0.053 175.298 175.510 -0.265 0.000 1.246 280 N CA 1.180 54.123 53.050 -0.177 0.000 0.879 280 N CB 0.078 38.530 38.487 -0.058 0.000 1.098 280 N HN 0.182 nan 8.380 nan 0.000 0.444 281 D N 0.368 120.627 120.400 -0.235 0.000 2.737 281 D HA -0.118 4.518 4.640 -0.007 0.000 0.238 281 D C -1.691 174.413 176.300 -0.326 0.000 1.157 281 D CA -0.115 53.745 54.000 -0.232 0.000 0.694 281 D CB -0.283 40.428 40.800 -0.148 0.000 1.021 281 D HN 0.377 nan 8.370 nan 0.000 0.420 282 P HA -0.063 nan 4.420 nan 0.000 0.215 282 P C 0.404 177.517 177.300 -0.311 0.000 1.157 282 P CA 1.238 63.960 63.100 -0.631 0.000 0.863 282 P CB 0.155 31.270 31.700 -0.976 0.000 0.787 283 V N -1.241 118.554 119.914 -0.199 0.000 2.311 283 V HA 0.375 4.492 4.120 -0.007 0.000 0.275 283 V C 0.530 176.525 176.094 -0.164 0.000 1.022 283 V CA -0.528 61.640 62.300 -0.221 0.000 0.830 283 V CB 0.054 31.777 31.823 -0.165 0.000 1.012 283 V HN 0.252 nan 8.190 nan 0.000 0.452 284 H N 2.857 121.841 119.070 -0.143 0.000 2.652 284 H HA 0.438 4.990 4.556 -0.006 0.000 0.274 284 H C 1.606 176.897 175.328 -0.061 0.000 1.021 284 H CA 0.450 56.448 56.048 -0.082 0.000 1.187 284 H CB 0.397 30.170 29.762 0.018 0.000 1.505 284 H HN 0.560 nan 8.280 nan 0.000 0.530 285 G N 1.179 109.783 108.800 -0.325 0.000 2.553 285 G HA2 -0.339 3.617 3.960 -0.007 0.000 0.218 285 G HA3 -0.339 3.617 3.960 -0.007 0.000 0.218 285 G C 1.920 176.831 174.900 0.019 0.000 1.195 285 G CA 0.976 45.989 45.100 -0.146 0.000 0.779 285 G HN 0.587 nan 8.290 nan 0.000 0.577 286 G N 0.321 109.125 108.800 0.007 0.000 2.469 286 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.219 286 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.219 286 G C 2.017 177.011 174.900 0.157 0.000 1.150 286 G CA 1.444 46.584 45.100 0.067 0.000 0.763 286 G HN 0.451 nan 8.290 nan 0.000 0.561 287 S N 0.484 116.222 115.700 0.064 0.000 2.603 287 S HA -0.014 4.452 4.470 -0.007 0.000 0.229 287 S C 1.073 175.394 174.600 -0.465 0.000 0.972 287 S CA 0.755 58.893 58.200 -0.104 0.000 0.935 287 S CB -0.628 62.435 63.200 -0.229 0.000 0.769 287 S HN 0.947 nan 8.310 nan 0.000 0.536 288 W N -0.071 121.254 121.300 0.042 0.000 4.233 288 W HA -0.234 4.421 4.660 -0.007 0.000 0.328 288 W C -1.170 175.360 176.519 0.018 0.000 1.212 288 W CA -0.282 57.084 57.345 0.035 0.000 0.752 288 W CB -2.696 26.766 29.460 0.003 0.000 2.277 288 W HN 0.103 nan 8.180 nan 0.000 1.465 289 I N 0.443 120.834 120.570 -0.298 0.000 2.846 289 I HA 0.499 4.665 4.170 -0.007 0.000 0.307 289 I C 0.749 176.694 176.117 -0.287 0.000 1.053 289 I CA -1.440 59.618 61.300 -0.402 0.000 1.050 289 I CB 1.739 39.250 38.000 -0.815 0.000 1.239 289 I HN -0.188 nan 8.210 nan 0.000 0.439 290 R N 1.613 121.982 120.500 -0.217 0.000 2.297 290 R HA 0.620 4.956 4.340 -0.007 0.000 0.308 290 R C -0.239 175.824 176.300 -0.395 0.000 1.029 290 R CA -0.179 55.772 56.100 -0.248 0.000 0.929 290 R CB 1.012 31.254 30.300 -0.097 0.000 1.046 290 R HN 0.839 nan 8.270 nan 0.000 0.461 291 G N 1.402 109.761 108.800 -0.736 0.000 2.552 291 G HA2 0.490 4.446 3.960 -0.007 0.000 0.324 291 G HA3 0.490 4.446 3.960 -0.007 0.000 0.324 291 G C -0.323 173.776 174.900 -1.335 0.000 1.217 291 G CA -0.473 43.636 45.100 -1.651 0.000 0.989 291 G HN 1.101 nan 8.290 nan 0.000 0.490 292 A N -0.895 121.147 122.820 -1.296 0.000 2.816 292 A HA -0.138 4.179 4.320 -0.007 0.000 0.270 292 A C 0.895 178.391 177.584 -0.147 0.000 1.413 292 A CA 1.442 53.106 52.037 -0.623 0.000 0.866 292 A CB -1.465 17.224 19.000 -0.518 0.000 1.032 292 A HN 1.056 nan 8.150 nan 0.000 0.642 293 I N -4.567 115.956 120.570 -0.078 0.000 5.001 293 I HA 0.094 4.260 4.170 -0.007 0.000 0.386 293 I C 0.974 177.196 176.117 0.176 0.000 1.130 293 I CA 0.989 62.355 61.300 0.111 0.000 1.476 293 I CB -0.515 37.475 38.000 -0.015 0.000 2.107 293 I HN 0.459 nan 8.210 nan 0.000 0.683 294 Y N -0.153 120.108 120.300 -0.065 0.000 2.535 294 Y HA 0.077 4.623 4.550 -0.007 0.000 0.266 294 Y C 2.345 178.342 175.900 0.162 0.000 1.088 294 Y CA 0.927 59.034 58.100 0.011 0.000 1.285 294 Y CB 0.185 38.573 38.460 -0.120 0.000 1.166 294 Y HN -0.011 nan 8.280 nan 0.000 0.525 295 Y N -0.568 119.713 120.300 -0.031 0.000 2.207 295 Y HA -0.292 4.254 4.550 -0.007 0.000 0.287 295 Y C 2.311 178.303 175.900 0.153 0.000 1.156 295 Y CA 1.521 59.619 58.100 -0.004 0.000 1.182 295 Y CB -1.224 37.179 38.460 -0.095 0.000 0.979 295 Y HN 0.276 nan 8.280 nan 0.000 0.521 296 F N 1.167 121.350 119.950 0.388 0.000 2.063 296 F HA -0.343 4.180 4.527 -0.007 0.000 0.298 296 F C 2.212 178.049 175.800 0.061 0.000 1.109 296 F CA 2.100 60.330 58.000 0.383 0.000 1.212 296 F CB -0.458 38.690 39.000 0.248 0.000 0.973 296 F HN -0.070 nan 8.300 nan 0.000 0.480 297 K N 0.248 120.636 120.400 -0.019 0.000 2.160 297 K HA -0.213 4.103 4.320 -0.007 0.000 0.206 297 K C 2.155 178.584 176.600 -0.286 0.000 1.047 297 K CA 2.104 58.244 56.287 -0.244 0.000 0.930 297 K CB -0.717 31.504 32.500 -0.465 0.000 0.720 297 K HN 0.600 nan 8.250 nan 0.000 0.450 298 I N -2.272 118.141 120.570 -0.261 0.000 2.617 298 I HA -0.031 4.135 4.170 -0.007 0.000 0.256 298 I C 2.226 178.252 176.117 -0.152 0.000 1.167 298 I CA 1.005 62.179 61.300 -0.210 0.000 1.469 298 I CB -0.279 37.581 38.000 -0.232 0.000 1.098 298 I HN -0.083 nan 8.210 nan 0.000 0.436 299 A N 2.206 124.938 122.820 -0.147 0.000 1.877 299 A HA -0.124 4.192 4.320 -0.007 0.000 0.216 299 A C 2.424 179.893 177.584 -0.192 0.000 1.186 299 A CA 2.450 54.417 52.037 -0.117 0.000 0.620 299 A CB -1.166 17.793 19.000 -0.068 0.000 0.822 299 A HN 0.515 nan 8.150 nan 0.000 0.443 300 V N -2.562 117.155 119.914 -0.330 0.000 2.667 300 V HA 0.049 4.165 4.120 -0.007 0.000 0.252 300 V C 2.461 178.464 176.094 -0.151 0.000 1.065 300 V CA 1.557 63.694 62.300 -0.272 0.000 1.083 300 V CB -1.404 30.212 31.823 -0.345 0.000 0.692 300 V HN 0.491 nan 8.190 nan 0.000 0.468 301 A N 0.286 123.022 122.820 -0.141 0.000 2.070 301 A HA 0.045 4.361 4.320 -0.007 0.000 0.220 301 A C 2.230 179.781 177.584 -0.055 0.000 1.159 301 A CA 1.866 53.851 52.037 -0.088 0.000 0.656 301 A CB -0.520 18.422 19.000 -0.096 0.000 0.800 301 A HN 0.582 nan 8.150 nan 0.000 0.453 302 L N -1.356 119.834 121.223 -0.055 0.000 2.127 302 L HA -0.059 4.277 4.340 -0.007 0.000 0.203 302 L C 3.058 179.914 176.870 -0.023 0.000 1.080 302 L CA 0.699 55.528 54.840 -0.018 0.000 0.768 302 L CB -0.627 41.438 42.059 0.010 0.000 0.924 302 L HN 0.439 nan 8.230 nan 0.000 0.444 303 A N 0.420 123.212 122.820 -0.048 0.000 1.862 303 A HA -0.274 4.042 4.320 -0.007 0.000 0.217 303 A C 2.190 179.759 177.584 -0.026 0.000 1.251 303 A CA 2.549 54.559 52.037 -0.044 0.000 0.673 303 A CB -1.279 17.678 19.000 -0.072 0.000 0.843 303 A HN 0.161 nan 8.150 nan 0.000 0.458 304 V N -0.052 119.846 119.914 -0.026 0.000 2.418 304 V HA -0.359 3.757 4.120 -0.007 0.000 0.258 304 V C 2.911 179.007 176.094 0.003 0.000 1.088 304 V CA 2.354 64.651 62.300 -0.005 0.000 1.091 304 V CB -1.457 30.367 31.823 0.000 0.000 0.669 304 V HN 0.723 nan 8.190 nan 0.000 0.461 305 A N -0.335 122.484 122.820 -0.001 0.000 1.969 305 A HA 0.050 4.367 4.320 -0.007 0.000 0.218 305 A C 2.299 179.886 177.584 0.006 0.000 1.169 305 A CA 1.563 53.605 52.037 0.007 0.000 0.635 305 A CB -0.513 18.492 19.000 0.009 0.000 0.810 305 A HN 0.629 nan 8.150 nan 0.000 0.445 306 A N -0.816 122.006 122.820 0.003 0.000 2.209 306 A HA 0.275 4.591 4.320 -0.007 0.000 0.212 306 A C 0.635 178.222 177.584 0.005 0.000 1.158 306 A CA 0.236 52.275 52.037 0.005 0.000 0.742 306 A CB -0.261 18.743 19.000 0.006 0.000 0.790 306 A HN 0.312 nan 8.150 nan 0.000 0.472 307 I N 0.967 121.542 120.570 0.008 0.000 2.325 307 I HA 0.240 4.406 4.170 -0.007 0.000 0.291 307 I C -2.696 173.433 176.117 0.020 0.000 1.019 307 I CA -2.997 58.313 61.300 0.016 0.000 1.302 307 I CB 0.728 38.740 38.000 0.021 0.000 1.401 307 I HN -0.067 nan 8.210 nan 0.000 0.485 308 P HA 0.159 nan 4.420 nan 0.000 0.269 308 P C 0.341 177.658 177.300 0.028 0.000 1.263 308 P CA -0.004 63.107 63.100 0.019 0.000 0.813 308 P CB 0.543 32.261 31.700 0.031 0.000 0.868 309 E N 2.407 122.619 120.200 0.020 0.000 2.077 309 E HA -0.126 4.220 4.350 -0.007 0.000 0.193 309 E C 2.202 178.812 176.600 0.016 0.000 0.989 309 E CA 1.734 58.150 56.400 0.026 0.000 0.800 309 E CB -0.686 29.032 29.700 0.030 0.000 0.746 309 E HN 0.530 nan 8.360 nan 0.000 0.452 310 G N 0.146 108.945 108.800 -0.001 0.000 2.920 310 G HA2 -0.088 3.868 3.960 -0.007 0.000 0.208 310 G HA3 -0.088 3.868 3.960 -0.007 0.000 0.208 310 G C 1.255 176.145 174.900 -0.017 0.000 1.159 310 G CA -0.099 44.988 45.100 -0.022 0.000 0.784 310 G HN 0.077 nan 8.290 nan 0.000 0.535 311 L N 1.897 123.131 121.223 0.020 0.000 1.961 311 L HA 0.082 4.418 4.340 -0.007 0.000 0.210 311 L C -0.272 176.627 176.870 0.048 0.000 1.072 311 L CA 1.767 56.640 54.840 0.055 0.000 0.749 311 L CB -1.262 40.857 42.059 0.101 0.000 0.889 311 L HN 0.007 nan 8.230 nan 0.000 0.432 312 P HA -0.120 nan 4.420 nan 0.000 0.222 312 P C 1.241 178.542 177.300 0.001 0.000 1.142 312 P CA 1.694 64.816 63.100 0.037 0.000 0.788 312 P CB -0.170 31.552 31.700 0.037 0.000 0.767 313 A N -0.869 121.938 122.820 -0.022 0.000 1.903 313 A HA -0.070 4.246 4.320 -0.007 0.000 0.213 313 A C 2.312 179.842 177.584 -0.091 0.000 1.185 313 A CA 1.236 53.243 52.037 -0.051 0.000 0.628 313 A CB -1.497 17.470 19.000 -0.055 0.000 0.830 313 A HN 0.124 nan 8.150 nan 0.000 0.446 314 V N 0.436 120.263 119.914 -0.144 0.000 2.295 314 V HA -0.231 3.885 4.120 -0.007 0.000 0.246 314 V C 2.249 178.176 176.094 -0.277 0.000 1.049 314 V CA 2.173 64.283 62.300 -0.316 0.000 1.024 314 V CB -0.496 31.000 31.823 -0.545 0.000 0.648 314 V HN 0.560 nan 8.190 nan 0.000 0.447 315 I N 0.359 120.903 120.570 -0.044 0.000 2.068 315 I HA -0.297 3.869 4.170 -0.007 0.000 0.238 315 I C 2.384 178.530 176.117 0.049 0.000 1.046 315 I CA 2.471 63.863 61.300 0.152 0.000 1.306 315 I CB -0.834 37.257 38.000 0.152 0.000 1.023 315 I HN 0.310 nan 8.210 nan 0.000 0.399 316 T N -0.364 114.195 114.554 0.007 0.000 3.139 316 T HA -0.093 4.253 4.350 -0.007 0.000 0.267 316 T C 1.582 176.271 174.700 -0.017 0.000 1.164 316 T CA 1.324 63.422 62.100 -0.004 0.000 1.075 316 T CB -0.268 68.588 68.868 -0.019 0.000 0.904 316 T HN 0.419 nan 8.240 nan 0.000 0.540 317 T N -0.068 114.456 114.554 -0.050 0.000 3.033 317 T HA 0.011 4.357 4.350 -0.007 0.000 0.248 317 T C 2.235 176.906 174.700 -0.048 0.000 1.040 317 T CA 0.138 62.203 62.100 -0.059 0.000 1.133 317 T CB -0.487 68.315 68.868 -0.110 0.000 0.895 317 T HN 0.498 nan 8.240 nan 0.000 0.465 318 C N 1.724 120.985 119.300 -0.066 0.000 2.413 318 C HA -0.008 4.448 4.460 -0.007 0.000 0.278 318 C C 2.494 177.505 174.990 0.035 0.000 1.224 318 C CA 0.625 59.638 59.018 -0.009 0.000 1.732 318 C CB -1.470 26.337 27.740 0.112 0.000 2.050 318 C HN 0.498 nan 8.230 nan 0.000 0.463 319 L N 1.411 122.661 121.223 0.045 0.000 1.933 319 L HA -0.158 4.178 4.340 -0.007 0.000 0.220 319 L C 3.055 179.944 176.870 0.032 0.000 1.078 319 L CA 2.067 56.931 54.840 0.040 0.000 0.773 319 L CB -1.321 40.760 42.059 0.037 0.000 0.890 319 L HN 0.449 nan 8.230 nan 0.000 0.434 320 A N -0.324 122.513 122.820 0.029 0.000 1.985 320 A HA -0.290 4.026 4.320 -0.007 0.000 0.223 320 A C 2.200 179.806 177.584 0.036 0.000 1.189 320 A CA 2.247 54.306 52.037 0.036 0.000 0.658 320 A CB -0.860 18.164 19.000 0.040 0.000 0.820 320 A HN 0.369 nan 8.150 nan 0.000 0.464 321 L N -0.516 120.729 121.223 0.036 0.000 1.994 321 L HA -0.026 4.310 4.340 -0.007 0.000 0.208 321 L C 2.637 179.527 176.870 0.033 0.000 1.071 321 L CA 2.254 57.120 54.840 0.043 0.000 0.745 321 L CB -1.147 40.956 42.059 0.073 0.000 0.892 321 L HN 0.355 nan 8.230 nan 0.000 0.431 322 G N -2.641 106.180 108.800 0.035 0.000 2.422 322 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.218 322 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.218 322 G C 1.542 176.450 174.900 0.013 0.000 1.140 322 G CA 1.135 46.250 45.100 0.025 0.000 0.775 322 G HN 0.373 nan 8.290 nan 0.000 0.545 323 T N -0.069 114.494 114.554 0.015 0.000 2.684 323 T HA -0.121 4.225 4.350 -0.007 0.000 0.267 323 T C 2.370 177.073 174.700 0.006 0.000 1.036 323 T CA 1.403 63.508 62.100 0.009 0.000 1.148 323 T CB -0.105 68.772 68.868 0.014 0.000 0.863 323 T HN 0.309 nan 8.240 nan 0.000 0.436 324 R N 0.314 120.822 120.500 0.013 0.000 2.148 324 R HA 0.084 4.420 4.340 -0.007 0.000 0.223 324 R C 2.529 178.827 176.300 -0.003 0.000 1.088 324 R CA 0.890 56.996 56.100 0.010 0.000 0.985 324 R CB 0.020 30.331 30.300 0.019 0.000 0.880 324 R HN 0.259 nan 8.270 nan 0.000 0.451 325 R N -0.604 119.892 120.500 -0.007 0.000 2.148 325 R HA -0.019 4.317 4.340 -0.007 0.000 0.223 325 R C 1.904 178.194 176.300 -0.015 0.000 1.088 325 R CA 0.955 57.045 56.100 -0.017 0.000 0.985 325 R CB 0.046 30.335 30.300 -0.018 0.000 0.880 325 R HN 0.205 nan 8.270 nan 0.000 0.451 326 M N -0.648 118.944 119.600 -0.013 0.000 2.334 326 M HA 0.055 4.531 4.480 -0.007 0.000 0.266 326 M C 2.207 178.496 176.300 -0.018 0.000 1.082 326 M CA 0.896 56.186 55.300 -0.017 0.000 1.141 326 M CB -0.680 31.908 32.600 -0.019 0.000 1.380 326 M HN 0.069 nan 8.290 nan 0.000 0.440 327 A N 0.160 122.972 122.820 -0.015 0.000 2.121 327 A HA -0.097 4.219 4.320 -0.007 0.000 0.218 327 A C 2.079 179.656 177.584 -0.013 0.000 1.154 327 A CA 1.105 53.134 52.037 -0.015 0.000 0.679 327 A CB -0.321 18.673 19.000 -0.010 0.000 0.795 327 A HN 0.306 nan 8.150 nan 0.000 0.458 328 K N 0.209 120.602 120.400 -0.013 0.000 2.365 328 K HA 0.037 4.353 4.320 -0.007 0.000 0.197 328 K C 0.823 177.416 176.600 -0.012 0.000 1.042 328 K CA 0.664 56.944 56.287 -0.012 0.000 0.987 328 K CB 0.031 32.522 32.500 -0.014 0.000 0.779 328 K HN 0.524 nan 8.250 nan 0.000 0.484 329 K N 0.942 121.333 120.400 -0.015 0.000 2.387 329 K HA 0.101 4.417 4.320 -0.007 0.000 0.198 329 K C -0.373 176.218 176.600 -0.016 0.000 1.022 329 K CA -0.169 56.109 56.287 -0.015 0.000 1.128 329 K CB 0.195 32.685 32.500 -0.017 0.000 0.853 329 K HN 0.006 nan 8.250 nan 0.000 0.523 330 N N 0.275 118.965 118.700 -0.017 0.000 2.861 330 N HA -0.133 4.603 4.740 -0.007 0.000 0.247 330 N C -1.068 174.426 175.510 -0.027 0.000 1.117 330 N CA 0.907 53.946 53.050 -0.019 0.000 0.703 330 N CB -1.421 37.057 38.487 -0.014 0.000 1.052 330 N HN 0.355 nan 8.380 nan 0.000 0.555 331 A N 0.533 123.335 122.820 -0.030 0.000 2.285 331 A HA 0.618 4.934 4.320 -0.007 0.000 0.310 331 A C 0.323 177.886 177.584 -0.035 0.000 1.266 331 A CA -0.560 51.455 52.037 -0.037 0.000 0.832 331 A CB 0.717 19.691 19.000 -0.043 0.000 1.163 331 A HN 0.168 nan 8.150 nan 0.000 0.499 332 I N 3.528 124.074 120.570 -0.039 0.000 2.396 332 I HA 0.179 4.346 4.170 -0.007 0.000 0.289 332 I C 0.014 176.105 176.117 -0.042 0.000 1.056 332 I CA -0.223 61.052 61.300 -0.041 0.000 1.365 332 I CB 0.622 38.595 38.000 -0.046 0.000 1.407 332 I HN 0.264 nan 8.210 nan 0.000 0.509 333 V N 8.195 128.086 119.914 -0.038 0.000 2.370 333 V HA 0.356 4.473 4.120 -0.007 0.000 0.283 333 V C 1.533 177.604 176.094 -0.039 0.000 1.023 333 V CA -0.672 61.606 62.300 -0.036 0.000 0.857 333 V CB 1.556 33.363 31.823 -0.026 0.000 0.985 333 V HN 0.681 nan 8.190 nan 0.000 0.443 334 R N 2.056 122.531 120.500 -0.042 0.000 2.073 334 R HA -0.039 4.297 4.340 -0.007 0.000 0.234 334 R C 0.937 177.213 176.300 -0.040 0.000 1.134 334 R CA 1.529 57.601 56.100 -0.047 0.000 0.952 334 R CB 0.137 30.409 30.300 -0.046 0.000 0.850 334 R HN 0.800 nan 8.270 nan 0.000 0.433 335 S N -1.664 114.018 115.700 -0.029 0.000 2.599 335 S HA 0.260 4.726 4.470 -0.007 0.000 0.287 335 S C 0.827 175.421 174.600 -0.011 0.000 1.105 335 S CA -0.931 57.257 58.200 -0.021 0.000 0.899 335 S CB 1.893 65.080 63.200 -0.021 0.000 1.100 335 S HN 0.056 nan 8.310 nan 0.000 0.482 336 L N 1.383 122.605 121.223 -0.003 0.000 2.005 336 L HA 0.093 4.430 4.340 -0.007 0.000 0.207 336 L C -0.523 176.353 176.870 0.010 0.000 1.072 336 L CA 1.063 55.906 54.840 0.006 0.000 0.744 336 L CB -1.245 40.820 42.059 0.011 0.000 0.895 336 L HN 0.593 nan 8.230 nan 0.000 0.433 337 P HA -0.128 nan 4.420 nan 0.000 0.221 337 P C 1.511 178.818 177.300 0.011 0.000 1.145 337 P CA 1.267 64.377 63.100 0.016 0.000 0.795 337 P CB 0.046 31.755 31.700 0.014 0.000 0.775 338 S N 0.069 115.769 115.700 -0.000 0.000 2.447 338 S HA -0.085 4.381 4.470 -0.007 0.000 0.233 338 S C 1.875 176.470 174.600 -0.009 0.000 1.006 338 S CA 1.127 59.322 58.200 -0.009 0.000 0.957 338 S CB -1.132 62.057 63.200 -0.018 0.000 0.773 338 S HN 0.176 nan 8.310 nan 0.000 0.507 339 V N 0.347 120.261 119.914 -0.001 0.000 3.078 339 V HA -0.020 4.096 4.120 -0.007 0.000 0.265 339 V C 1.902 177.999 176.094 0.006 0.000 1.122 339 V CA 1.680 63.980 62.300 -0.000 0.000 1.141 339 V CB -0.296 31.532 31.823 0.008 0.000 0.735 339 V HN 0.344 nan 8.190 nan 0.000 0.498 340 E N 0.846 121.054 120.200 0.013 0.000 2.127 340 E HA -0.080 4.266 4.350 -0.007 0.000 0.191 340 E C 2.158 178.750 176.600 -0.012 0.000 0.964 340 E CA 1.413 57.823 56.400 0.018 0.000 0.832 340 E CB -0.111 29.621 29.700 0.054 0.000 0.790 340 E HN 0.729 nan 8.360 nan 0.000 0.465 341 T N 2.435 116.979 114.554 -0.016 0.000 2.668 341 T HA -0.242 4.104 4.350 -0.007 0.000 0.265 341 T C 1.993 176.668 174.700 -0.042 0.000 1.041 341 T CA 1.767 63.849 62.100 -0.030 0.000 1.160 341 T CB -0.465 68.387 68.868 -0.026 0.000 0.857 341 T HN 0.169 nan 8.240 nan 0.000 0.455 342 L N 0.598 121.797 121.223 -0.040 0.000 2.275 342 L HA 0.050 4.386 4.340 -0.007 0.000 0.215 342 L C 2.905 179.747 176.870 -0.048 0.000 1.119 342 L CA 0.938 55.750 54.840 -0.046 0.000 0.790 342 L CB -0.670 41.359 42.059 -0.051 0.000 0.919 342 L HN 0.416 nan 8.230 nan 0.000 0.443 343 G N -0.704 108.067 108.800 -0.048 0.000 2.471 343 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.219 343 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.219 343 G C 1.257 176.107 174.900 -0.084 0.000 1.125 343 G CA 0.841 45.908 45.100 -0.054 0.000 0.775 343 G HN 0.620 nan 8.290 nan 0.000 0.548 344 C N -0.832 118.408 119.300 -0.100 0.000 3.115 344 C HA 0.479 4.935 4.460 -0.007 0.000 0.277 344 C C 0.707 175.650 174.990 -0.077 0.000 1.460 344 C CA -0.918 58.028 59.018 -0.121 0.000 1.789 344 C CB -0.989 26.635 27.740 -0.192 0.000 2.674 344 C HN 0.016 nan 8.230 nan 0.000 0.582 345 T N 1.994 116.515 114.554 -0.055 0.000 2.884 345 T HA 0.230 4.576 4.350 -0.007 0.000 0.298 345 T C 1.116 175.801 174.700 -0.025 0.000 0.998 345 T CA 0.493 62.572 62.100 -0.035 0.000 1.124 345 T CB 1.482 70.331 68.868 -0.032 0.000 0.931 345 T HN 0.517 nan 8.240 nan 0.000 0.531 346 S N 1.611 117.304 115.700 -0.012 0.000 2.441 346 S HA 0.177 4.643 4.470 -0.007 0.000 0.224 346 S C 0.549 175.154 174.600 0.007 0.000 1.043 346 S CA -0.033 58.165 58.200 -0.003 0.000 0.948 346 S CB 0.466 63.669 63.200 0.006 0.000 0.810 346 S HN 0.539 nan 8.310 nan 0.000 0.504 347 V N 2.354 122.277 119.914 0.015 0.000 2.638 347 V HA 0.480 4.596 4.120 -0.007 0.000 0.306 347 V C -0.916 175.191 176.094 0.021 0.000 1.052 347 V CA -0.667 61.649 62.300 0.026 0.000 0.885 347 V CB 1.846 33.697 31.823 0.046 0.000 0.999 347 V HN 0.232 nan 8.190 nan 0.000 0.424 348 I N 3.260 123.844 120.570 0.025 0.000 2.312 348 I HA 0.355 4.521 4.170 -0.007 0.000 0.290 348 I C -0.118 176.027 176.117 0.046 0.000 1.008 348 I CA -0.136 61.180 61.300 0.026 0.000 1.226 348 I CB 1.237 39.254 38.000 0.030 0.000 1.371 348 I HN 0.547 nan 8.210 nan 0.000 0.468 349 C N 4.290 123.613 119.300 0.040 0.000 2.463 349 C HA 0.517 4.973 4.460 -0.007 0.000 0.380 349 C C 0.727 175.754 174.990 0.062 0.000 1.264 349 C CA -0.063 58.986 59.018 0.051 0.000 2.161 349 C CB 0.827 28.585 27.740 0.031 0.000 2.515 349 C HN 0.781 nan 8.230 nan 0.000 0.565 350 S N 0.959 116.706 115.700 0.079 0.000 2.575 350 S HA 0.330 4.796 4.470 -0.007 0.000 0.278 350 S C -0.994 173.651 174.600 0.075 0.000 1.139 350 S CA -0.553 57.710 58.200 0.105 0.000 0.954 350 S CB 1.122 64.435 63.200 0.187 0.000 1.054 350 S HN 0.891 nan 8.310 nan 0.000 0.483 351 D N 2.514 122.955 120.400 0.068 0.000 2.368 351 D HA 0.256 4.892 4.640 -0.007 0.000 0.240 351 D C 0.967 177.292 176.300 0.040 0.000 1.169 351 D CA 0.083 54.112 54.000 0.048 0.000 0.906 351 D CB 0.751 41.574 40.800 0.039 0.000 1.187 351 D HN 0.484 nan 8.370 nan 0.000 0.435 352 K N 0.334 120.746 120.400 0.020 0.000 2.139 352 K HA 0.076 4.392 4.320 -0.007 0.000 0.217 352 K C 0.002 176.599 176.600 -0.005 0.000 1.025 352 K CA 0.073 56.358 56.287 -0.003 0.000 0.947 352 K CB -0.193 32.303 32.500 -0.006 0.000 0.897 352 K HN 0.492 nan 8.250 nan 0.000 0.457 353 T N 1.083 115.637 114.554 -0.000 0.000 2.758 353 T HA 0.184 4.530 4.350 -0.007 0.000 0.281 353 T C 0.719 175.421 174.700 0.004 0.000 0.963 353 T CA 0.768 62.867 62.100 -0.002 0.000 1.201 353 T CB 0.185 69.055 68.868 0.004 0.000 0.906 353 T HN 0.723 nan 8.240 nan 0.000 0.528 354 G N 3.416 112.215 108.800 -0.003 0.000 2.225 354 G HA2 -0.326 3.630 3.960 -0.007 0.000 0.254 354 G HA3 -0.326 3.630 3.960 -0.007 0.000 0.254 354 G C 0.928 175.845 174.900 0.027 0.000 0.988 354 G CA 0.559 45.663 45.100 0.007 0.000 0.625 354 G HN 0.682 nan 8.290 nan 0.000 0.527 355 T N 0.462 115.040 114.554 0.039 0.000 3.246 355 T HA 0.289 4.635 4.350 -0.007 0.000 0.231 355 T C 2.345 177.096 174.700 0.084 0.000 0.986 355 T CA 0.998 63.157 62.100 0.097 0.000 1.340 355 T CB -0.246 68.692 68.868 0.116 0.000 1.063 355 T HN 0.146 nan 8.240 nan 0.000 0.427 356 L N 1.724 122.938 121.223 -0.014 0.000 2.291 356 L HA 0.083 4.419 4.340 -0.007 0.000 0.214 356 L C 1.409 178.187 176.870 -0.154 0.000 1.120 356 L CA 0.617 55.339 54.840 -0.197 0.000 0.799 356 L CB -0.609 41.326 42.059 -0.207 0.000 0.925 356 L HN 0.453 nan 8.230 nan 0.000 0.446 357 T N -5.875 108.631 114.554 -0.080 0.000 2.940 357 T HA 0.237 4.583 4.350 -0.007 0.000 0.288 357 T C 0.989 175.655 174.700 -0.056 0.000 1.045 357 T CA -0.036 62.020 62.100 -0.075 0.000 1.018 357 T CB 1.644 70.473 68.868 -0.064 0.000 1.151 357 T HN 0.101 nan 8.240 nan 0.000 0.529 358 T N -1.558 112.952 114.554 -0.074 0.000 3.067 358 T HA 0.067 4.413 4.350 -0.007 0.000 0.261 358 T C 1.029 175.676 174.700 -0.089 0.000 1.110 358 T CA 0.794 62.844 62.100 -0.083 0.000 1.113 358 T CB -0.950 67.845 68.868 -0.122 0.000 0.917 358 T HN 0.944 nan 8.240 nan 0.000 0.499 359 N N 1.384 120.038 118.700 -0.077 0.000 2.727 359 N HA -0.180 4.556 4.740 -0.007 0.000 0.249 359 N C -1.175 174.273 175.510 -0.103 0.000 1.048 359 N CA 0.326 53.344 53.050 -0.053 0.000 0.714 359 N CB -0.702 37.779 38.487 -0.010 0.000 0.959 359 N HN 0.724 nan 8.380 nan 0.000 0.544 360 Q N 1.070 120.725 119.800 -0.242 0.000 2.533 360 Q HA 0.222 4.558 4.340 -0.007 0.000 0.251 360 Q C -0.289 175.472 176.000 -0.399 0.000 0.966 360 Q CA -0.764 54.670 55.803 -0.615 0.000 0.714 360 Q CB 1.192 29.286 28.738 -1.074 0.000 1.284 360 Q HN 0.242 nan 8.270 nan 0.000 0.478 361 M N 1.836 121.377 119.600 -0.097 0.000 2.366 361 M HA -0.037 4.439 4.480 -0.007 0.000 0.414 361 M C -0.285 176.001 176.300 -0.024 0.000 1.578 361 M CA 1.180 56.483 55.300 0.004 0.000 0.892 361 M CB -0.528 32.141 32.600 0.116 0.000 2.082 361 M HN 0.401 nan 8.290 nan 0.000 0.498 362 S N 3.115 118.782 115.700 -0.055 0.000 2.532 362 S HA 0.546 5.012 4.470 -0.007 0.000 0.299 362 S C -0.440 174.130 174.600 -0.050 0.000 1.105 362 S CA -0.846 57.319 58.200 -0.057 0.000 1.018 362 S CB 1.928 65.072 63.200 -0.093 0.000 1.021 362 S HN 0.451 nan 8.310 nan 0.000 0.483 363 V N 3.246 123.135 119.914 -0.042 0.000 2.427 363 V HA 0.110 4.226 4.120 -0.007 0.000 0.268 363 V C 1.057 177.101 176.094 -0.083 0.000 1.046 363 V CA -0.266 61.999 62.300 -0.057 0.000 0.970 363 V CB 0.169 31.964 31.823 -0.047 0.000 1.001 363 V HN 1.207 nan 8.190 nan 0.000 0.476 364 C N 2.492 121.720 119.300 -0.119 0.000 3.580 364 C HA 0.519 4.975 4.460 -0.007 0.000 0.337 364 C C 0.533 175.403 174.990 -0.200 0.000 1.412 364 C CA -0.679 58.255 59.018 -0.139 0.000 1.797 364 C CB -0.956 26.701 27.740 -0.139 0.000 2.470 364 C HN 0.739 nan 8.230 nan 0.000 0.691 365 K N 1.460 121.691 120.400 -0.282 0.000 2.477 365 K HA 0.773 5.089 4.320 -0.007 0.000 0.255 365 K C -1.023 175.458 176.600 -0.197 0.000 0.952 365 K CA -0.338 55.693 56.287 -0.427 0.000 0.826 365 K CB 2.274 34.088 32.500 -1.145 0.000 1.331 365 K HN 0.534 nan 8.250 nan 0.000 0.437 366 M N 1.107 120.775 119.600 0.114 0.000 2.426 366 M HA 0.559 5.035 4.480 -0.007 0.000 0.289 366 M C -1.870 174.806 176.300 0.627 0.000 1.168 366 M CA -0.898 54.605 55.300 0.338 0.000 0.933 366 M CB 1.580 34.229 32.600 0.082 0.000 1.750 366 M HN 0.589 nan 8.290 nan 0.000 0.494 367 F N 2.820 123.048 119.950 0.463 0.000 2.599 367 F HA 0.947 5.470 4.527 -0.007 0.000 0.311 367 F C -1.333 174.579 175.800 0.187 0.000 1.076 367 F CA -0.979 57.215 58.000 0.323 0.000 0.937 367 F CB 1.440 40.549 39.000 0.181 0.000 1.282 367 F HN 0.831 nan 8.300 nan 0.000 0.460 368 I N -0.087 120.790 120.570 0.513 0.000 3.445 368 I HA 0.657 4.823 4.170 -0.007 0.000 0.303 368 I C -1.409 174.963 176.117 0.426 0.000 1.129 368 I CA -1.469 60.050 61.300 0.365 0.000 0.989 368 I CB 2.228 40.335 38.000 0.179 0.000 1.314 368 I HN 0.658 nan 8.210 nan 0.000 0.488 369 I N 1.901 122.666 120.570 0.325 0.000 2.365 369 I HA 0.153 4.319 4.170 -0.007 0.000 0.291 369 I C 0.478 176.706 176.117 0.185 0.000 1.004 369 I CA 0.383 61.827 61.300 0.239 0.000 1.311 369 I CB 1.228 39.373 38.000 0.241 0.000 1.401 369 I HN 0.680 nan 8.210 nan 0.000 0.491 370 D N 5.061 125.541 120.400 0.134 0.000 2.320 370 D HA 0.103 4.740 4.640 -0.007 0.000 0.228 370 D C 0.053 176.437 176.300 0.140 0.000 0.978 370 D CA 1.314 55.404 54.000 0.150 0.000 0.905 370 D CB 0.487 41.361 40.800 0.122 0.000 1.051 370 D HN 0.344 nan 8.370 nan 0.000 0.471 371 K N -0.730 119.737 120.400 0.112 0.000 2.464 371 K HA 0.582 4.898 4.320 -0.007 0.000 0.253 371 K C -1.633 175.032 176.600 0.109 0.000 0.933 371 K CA -0.791 55.591 56.287 0.158 0.000 0.801 371 K CB 3.478 36.159 32.500 0.300 0.000 1.271 371 K HN -0.237 nan 8.250 nan 0.000 0.430 372 V N 2.375 122.372 119.914 0.139 0.000 2.385 372 V HA 0.187 4.303 4.120 -0.007 0.000 0.277 372 V C -1.230 174.959 176.094 0.158 0.000 1.012 372 V CA -0.673 61.695 62.300 0.113 0.000 0.832 372 V CB 1.268 33.136 31.823 0.075 0.000 1.028 372 V HN 0.704 nan 8.190 nan 0.000 0.436 373 D N 3.582 124.133 120.400 0.252 0.000 2.479 373 D HA 0.509 5.145 4.640 -0.007 0.000 0.247 373 D C 1.038 177.434 176.300 0.159 0.000 1.119 373 D CA 1.097 55.211 54.000 0.190 0.000 0.922 373 D CB 1.278 42.180 40.800 0.171 0.000 1.014 373 D HN 0.654 nan 8.370 nan 0.000 0.510 374 G N 4.701 113.561 108.800 0.099 0.000 2.815 374 G HA2 -0.406 3.550 3.960 -0.007 0.000 0.326 374 G HA3 -0.406 3.550 3.960 -0.007 0.000 0.326 374 G C 0.889 175.830 174.900 0.069 0.000 1.191 374 G CA 0.645 45.788 45.100 0.071 0.000 0.965 374 G HN 0.509 nan 8.290 nan 0.000 0.564 375 D N 0.447 120.897 120.400 0.082 0.000 2.340 375 D HA 0.346 4.983 4.640 -0.007 0.000 0.220 375 D C 0.460 176.820 176.300 0.101 0.000 1.039 375 D CA 0.111 54.150 54.000 0.065 0.000 0.866 375 D CB 0.092 40.924 40.800 0.054 0.000 0.913 375 D HN 0.213 nan 8.370 nan 0.000 0.523 376 F N 1.031 120.972 119.950 -0.014 0.000 2.415 376 F HA 0.399 4.922 4.527 -0.007 0.000 0.348 376 F C -0.853 174.938 175.800 -0.016 0.000 1.119 376 F CA -1.293 56.697 58.000 -0.017 0.000 1.069 376 F CB 0.931 39.924 39.000 -0.011 0.000 1.124 376 F HN -0.182 nan 8.300 nan 0.000 0.472 377 C N 6.706 125.516 119.300 -0.817 0.000 2.432 377 C HA 0.764 5.220 4.460 -0.007 0.000 0.334 377 C C -0.776 173.682 174.990 -0.887 0.000 1.155 377 C CA -0.256 58.357 59.018 -0.675 0.000 1.335 377 C CB -0.248 27.294 27.740 -0.329 0.000 1.964 377 C HN 0.968 nan 8.230 nan 0.000 0.444 378 S N 6.109 121.378 115.700 -0.719 0.000 2.593 378 S HA 0.872 5.338 4.470 -0.007 0.000 0.297 378 S C -0.886 173.602 174.600 -0.187 0.000 1.112 378 S CA -0.720 57.239 58.200 -0.401 0.000 1.043 378 S CB 1.281 64.401 63.200 -0.133 0.000 1.054 378 S HN 0.779 nan 8.310 nan 0.000 0.516 379 L N 1.405 122.531 121.223 -0.160 0.000 2.319 379 L HA 0.551 4.887 4.340 -0.007 0.000 0.267 379 L C -0.525 176.321 176.870 -0.041 0.000 1.011 379 L CA -1.073 53.707 54.840 -0.099 0.000 0.818 379 L CB 1.444 43.330 42.059 -0.288 0.000 1.316 379 L HN 0.594 nan 8.230 nan 0.000 0.432 380 N N 1.832 120.556 118.700 0.041 0.000 2.485 380 N HA 0.256 4.992 4.740 -0.007 0.000 0.243 380 N C -1.016 174.422 175.510 -0.118 0.000 0.987 380 N CA -0.305 52.680 53.050 -0.108 0.000 0.940 380 N CB 1.119 39.593 38.487 -0.023 0.000 1.122 380 N HN 0.554 nan 8.380 nan 0.000 0.509 381 E N 1.734 121.784 120.200 -0.251 0.000 2.191 381 E HA 0.467 4.813 4.350 -0.007 0.000 0.278 381 E C -0.630 175.752 176.600 -0.363 0.000 0.972 381 E CA -0.430 55.972 56.400 0.002 0.000 0.804 381 E CB 1.422 31.236 29.700 0.190 0.000 1.110 381 E HN 0.295 nan 8.360 nan 0.000 0.394 382 F N 0.384 120.393 119.950 0.098 0.000 2.631 382 F HA 0.481 5.004 4.527 -0.007 0.000 0.328 382 F C 0.303 176.085 175.800 -0.030 0.000 1.067 382 F CA -0.771 57.224 58.000 -0.009 0.000 0.969 382 F CB 1.930 40.886 39.000 -0.073 0.000 1.332 382 F HN 0.412 nan 8.300 nan 0.000 0.490 383 S N 1.286 117.068 115.700 0.138 0.000 2.599 383 S HA 0.877 5.343 4.470 -0.007 0.000 0.287 383 S C -1.538 173.070 174.600 0.013 0.000 1.105 383 S CA -0.794 57.414 58.200 0.013 0.000 0.899 383 S CB 2.099 65.281 63.200 -0.031 0.000 1.100 383 S HN 0.429 nan 8.310 nan 0.000 0.482 384 I N 1.810 122.358 120.570 -0.036 0.000 2.499 384 I HA 0.420 4.586 4.170 -0.007 0.000 0.288 384 I C 0.370 176.458 176.117 -0.048 0.000 1.048 384 I CA -0.510 60.767 61.300 -0.039 0.000 1.062 384 I CB 1.213 39.180 38.000 -0.055 0.000 1.238 384 I HN 0.944 nan 8.210 nan 0.000 0.426 385 T N 1.372 115.904 114.554 -0.037 0.000 2.899 385 T HA 0.813 5.159 4.350 -0.007 0.000 0.284 385 T C 0.305 174.978 174.700 -0.045 0.000 1.004 385 T CA -0.101 61.975 62.100 -0.040 0.000 1.043 385 T CB 1.815 70.666 68.868 -0.028 0.000 1.013 385 T HN 1.484 nan 8.240 nan 0.000 0.518 386 G N -0.368 108.403 108.800 -0.047 0.000 2.465 386 G HA2 0.287 4.243 3.960 -0.007 0.000 0.681 386 G HA3 0.287 4.243 3.960 -0.007 0.000 0.681 386 G C -0.098 174.762 174.900 -0.066 0.000 1.340 386 G CA -0.029 45.040 45.100 -0.051 0.000 0.884 386 G HN 1.291 nan 8.290 nan 0.000 0.650 387 S N -0.962 114.694 115.700 -0.074 0.000 2.820 387 S HA 0.522 4.988 4.470 -0.007 0.000 0.265 387 S C 0.900 175.413 174.600 -0.145 0.000 1.043 387 S CA 1.725 59.866 58.200 -0.098 0.000 1.245 387 S CB -0.097 63.055 63.200 -0.080 0.000 1.187 387 S HN 2.047 nan 8.310 nan 0.000 0.673 388 T N -1.827 112.640 114.554 -0.145 0.000 2.693 388 T HA 0.540 4.886 4.350 -0.007 0.000 0.278 388 T C 0.176 174.758 174.700 -0.196 0.000 0.994 388 T CA -0.440 61.526 62.100 -0.223 0.000 1.033 388 T CB 0.258 69.072 68.868 -0.089 0.000 1.342 388 T HN -0.048 nan 8.240 nan 0.000 0.538 389 Y N 0.658 120.961 120.300 0.005 0.000 2.519 389 Y HA 0.513 5.059 4.550 -0.007 0.000 0.287 389 Y C 1.944 177.790 175.900 -0.089 0.000 1.128 389 Y CA -0.246 57.844 58.100 -0.017 0.000 1.282 389 Y CB -0.955 37.522 38.460 0.029 0.000 1.027 389 Y HN 0.850 nan 8.280 nan 0.000 0.551 390 A N 2.181 125.030 122.820 0.049 0.000 2.567 390 A HA 0.098 4.414 4.320 -0.007 0.000 0.240 390 A C -1.971 175.472 177.584 -0.234 0.000 1.053 390 A CA -0.897 51.032 52.037 -0.181 0.000 0.755 390 A CB -0.271 18.759 19.000 0.051 0.000 0.978 390 A HN 0.083 nan 8.150 nan 0.000 0.507 391 P HA 0.217 nan 4.420 nan 0.000 0.228 391 P C -0.793 176.416 177.300 -0.152 0.000 1.748 391 P CA 0.475 63.429 63.100 -0.244 0.000 0.909 391 P CB -0.281 31.247 31.700 -0.287 0.000 1.882 392 E N 0.626 120.764 120.200 -0.104 0.000 2.216 392 E HA 0.672 5.018 4.350 -0.007 0.000 0.260 392 E C 0.102 176.678 176.600 -0.041 0.000 0.880 392 E CA -0.667 55.702 56.400 -0.053 0.000 0.765 392 E CB 1.752 31.440 29.700 -0.019 0.000 1.174 392 E HN 0.237 nan 8.360 nan 0.000 0.417 393 G N 2.420 111.199 108.800 -0.035 0.000 2.352 393 G HA2 0.183 4.139 3.960 -0.007 0.000 0.302 393 G HA3 0.183 4.139 3.960 -0.007 0.000 0.302 393 G C -1.615 173.269 174.900 -0.028 0.000 1.370 393 G CA -0.941 44.141 45.100 -0.031 0.000 0.918 393 G HN 0.422 nan 8.290 nan 0.000 0.610 394 E N -1.237 118.950 120.200 -0.021 0.000 2.336 394 E HA 0.692 5.038 4.350 -0.007 0.000 0.267 394 E C -1.101 175.495 176.600 -0.007 0.000 0.906 394 E CA -1.157 55.236 56.400 -0.012 0.000 0.781 394 E CB 2.901 32.602 29.700 0.001 0.000 1.261 394 E HN 0.370 nan 8.360 nan 0.000 0.436 395 V N 2.415 122.331 119.914 0.003 0.000 2.394 395 V HA 0.321 4.437 4.120 -0.007 0.000 0.282 395 V C -0.232 175.913 176.094 0.085 0.000 1.031 395 V CA -0.535 61.779 62.300 0.024 0.000 0.881 395 V CB 0.572 32.377 31.823 -0.029 0.000 0.982 395 V HN 0.478 nan 8.190 nan 0.000 0.451 396 L N 4.461 125.751 121.223 0.111 0.000 2.330 396 L HA 0.698 5.034 4.340 -0.007 0.000 0.271 396 L C -0.261 176.701 176.870 0.154 0.000 1.013 396 L CA -0.778 54.129 54.840 0.110 0.000 0.816 396 L CB 1.983 44.072 42.059 0.050 0.000 1.287 396 L HN 0.526 nan 8.230 nan 0.000 0.435 397 K N 2.125 122.573 120.400 0.081 0.000 2.507 397 K HA 0.309 4.625 4.320 -0.007 0.000 0.252 397 K C -0.678 175.891 176.600 -0.051 0.000 0.943 397 K CA -0.486 55.748 56.287 -0.088 0.000 0.808 397 K CB 0.904 33.273 32.500 -0.218 0.000 1.142 397 K HN 0.703 nan 8.250 nan 0.000 0.426 398 N N 3.957 122.614 118.700 -0.071 0.000 2.754 398 N HA -0.189 4.547 4.740 -0.007 0.000 0.248 398 N C -0.960 174.543 175.510 -0.011 0.000 1.093 398 N CA 1.373 54.402 53.050 -0.035 0.000 0.699 398 N CB -0.960 37.512 38.487 -0.026 0.000 1.016 398 N HN 0.955 nan 8.380 nan 0.000 0.552 399 D N -2.042 118.353 120.400 -0.008 0.000 3.059 399 D HA -0.200 4.436 4.640 -0.007 0.000 0.213 399 D C 0.296 176.603 176.300 0.012 0.000 1.144 399 D CA 2.071 56.071 54.000 0.001 0.000 0.975 399 D CB -0.777 40.020 40.800 -0.004 0.000 1.125 399 D HN 0.873 nan 8.370 nan 0.000 0.412 400 K N -0.964 119.449 120.400 0.022 0.000 2.318 400 K HA 0.717 5.033 4.320 -0.007 0.000 0.249 400 K C -3.139 173.494 176.600 0.056 0.000 0.942 400 K CA -2.055 54.252 56.287 0.033 0.000 0.808 400 K CB 2.238 34.757 32.500 0.031 0.000 1.189 400 K HN -0.297 nan 8.250 nan 0.000 0.428 401 P HA -0.040 nan 4.420 nan 0.000 0.265 401 P C -0.442 176.921 177.300 0.105 0.000 1.193 401 P CA -0.112 63.030 63.100 0.069 0.000 0.765 401 P CB 0.306 32.034 31.700 0.047 0.000 0.823 402 I N 0.330 120.984 120.570 0.141 0.000 3.108 402 I HA 0.542 4.708 4.170 -0.007 0.000 0.312 402 I C -0.687 175.515 176.117 0.141 0.000 1.095 402 I CA -1.696 59.720 61.300 0.193 0.000 1.000 402 I CB 2.196 40.424 38.000 0.380 0.000 1.229 402 I HN 0.179 nan 8.210 nan 0.000 0.454 403 R N 2.161 122.747 120.500 0.143 0.000 2.202 403 R HA 0.332 4.668 4.340 -0.007 0.000 0.334 403 R C 1.023 177.399 176.300 0.127 0.000 1.036 403 R CA -0.350 55.802 56.100 0.086 0.000 0.878 403 R CB 1.210 31.539 30.300 0.049 0.000 1.067 403 R HN 0.727 nan 8.270 nan 0.000 0.457 404 S N 2.145 117.862 115.700 0.028 0.000 2.400 404 S HA -0.163 4.303 4.470 -0.007 0.000 0.232 404 S C 2.009 176.618 174.600 0.015 0.000 1.025 404 S CA 1.540 59.716 58.200 -0.041 0.000 0.993 404 S CB -0.083 63.005 63.200 -0.187 0.000 0.808 404 S HN 0.927 nan 8.310 nan 0.000 0.478 405 G N 0.932 109.707 108.800 -0.041 0.000 2.479 405 G HA2 -0.233 3.724 3.960 -0.007 0.000 0.220 405 G HA3 -0.233 3.724 3.960 -0.007 0.000 0.220 405 G C 1.238 176.122 174.900 -0.026 0.000 1.115 405 G CA 0.511 45.561 45.100 -0.083 0.000 0.757 405 G HN 0.512 nan 8.290 nan 0.000 0.560 406 Q N -0.942 118.864 119.800 0.011 0.000 2.369 406 Q HA 0.091 4.427 4.340 -0.007 0.000 0.206 406 Q C -0.274 175.566 176.000 -0.266 0.000 0.963 406 Q CA 0.228 55.950 55.803 -0.134 0.000 0.894 406 Q CB 0.077 28.687 28.738 -0.212 0.000 0.965 406 Q HN 0.548 nan 8.270 nan 0.000 0.475 407 F N 0.338 120.275 119.950 -0.020 0.000 2.375 407 F HA 0.183 4.706 4.527 -0.007 0.000 0.361 407 F C 0.700 176.471 175.800 -0.049 0.000 1.117 407 F CA -0.928 57.072 58.000 0.000 0.000 1.037 407 F CB 1.215 40.240 39.000 0.041 0.000 1.192 407 F HN -0.129 nan 8.300 nan 0.000 0.452 408 D N 2.634 123.100 120.400 0.110 0.000 2.182 408 D HA -0.145 4.491 4.640 -0.007 0.000 0.201 408 D C 2.231 178.551 176.300 0.034 0.000 0.986 408 D CA 1.351 55.378 54.000 0.046 0.000 0.847 408 D CB -0.061 40.764 40.800 0.042 0.000 0.942 408 D HN 0.826 nan 8.370 nan 0.000 0.467 409 G N 0.964 109.815 108.800 0.084 0.000 2.422 409 G HA2 -0.190 3.766 3.960 -0.007 0.000 0.218 409 G HA3 -0.190 3.766 3.960 -0.007 0.000 0.218 409 G C 1.782 176.651 174.900 -0.051 0.000 1.146 409 G CA 0.101 45.222 45.100 0.035 0.000 0.769 409 G HN 0.252 nan 8.290 nan 0.000 0.547 410 L N 0.428 121.612 121.223 -0.065 0.000 2.201 410 L HA -0.054 4.282 4.340 -0.007 0.000 0.212 410 L C 2.923 179.672 176.870 -0.202 0.000 1.105 410 L CA 0.308 55.029 54.840 -0.198 0.000 0.775 410 L CB -0.292 41.593 42.059 -0.290 0.000 0.913 410 L HN 0.109 nan 8.230 nan 0.000 0.440 411 V N -0.287 119.527 119.914 -0.166 0.000 2.427 411 V HA -0.267 3.849 4.120 -0.007 0.000 0.248 411 V C 2.369 178.346 176.094 -0.194 0.000 1.051 411 V CA 1.801 63.962 62.300 -0.231 0.000 1.048 411 V CB -0.386 31.319 31.823 -0.197 0.000 0.666 411 V HN 0.466 nan 8.190 nan 0.000 0.456 412 E N 0.046 120.162 120.200 -0.141 0.000 2.046 412 E HA -0.191 4.155 4.350 -0.007 0.000 0.190 412 E C 2.244 178.714 176.600 -0.218 0.000 0.982 412 E CA 1.095 57.403 56.400 -0.154 0.000 0.800 412 E CB -0.099 29.552 29.700 -0.082 0.000 0.756 412 E HN 0.525 nan 8.360 nan 0.000 0.449 413 L N 0.679 121.783 121.223 -0.199 0.000 1.990 413 L HA -0.269 4.067 4.340 -0.007 0.000 0.213 413 L C 2.444 179.180 176.870 -0.223 0.000 1.072 413 L CA 2.007 56.718 54.840 -0.215 0.000 0.755 413 L CB -0.435 41.496 42.059 -0.212 0.000 0.889 413 L HN 0.219 nan 8.230 nan 0.000 0.432 414 A N -1.071 121.613 122.820 -0.227 0.000 1.903 414 A HA -0.288 4.028 4.320 -0.007 0.000 0.219 414 A C 2.255 179.704 177.584 -0.225 0.000 1.191 414 A CA 2.718 54.625 52.037 -0.215 0.000 0.638 414 A CB -1.339 17.519 19.000 -0.237 0.000 0.823 414 A HN 0.571 nan 8.150 nan 0.000 0.451 415 T N 0.286 114.674 114.554 -0.276 0.000 2.708 415 T HA -0.116 4.230 4.350 -0.007 0.000 0.266 415 T C 1.812 176.194 174.700 -0.529 0.000 1.037 415 T CA 1.567 63.449 62.100 -0.364 0.000 1.146 415 T CB -0.487 68.130 68.868 -0.419 0.000 0.865 415 T HN 0.445 nan 8.240 nan 0.000 0.435 416 I N 0.945 121.172 120.570 -0.572 0.000 2.118 416 I HA -0.250 3.917 4.170 -0.007 0.000 0.241 416 I C 2.759 178.737 176.117 -0.231 0.000 1.070 416 I CA 1.050 62.083 61.300 -0.446 0.000 1.327 416 I CB -0.682 37.175 38.000 -0.239 0.000 1.034 416 I HN 0.313 nan 8.210 nan 0.000 0.405 417 C N 0.767 119.955 119.300 -0.187 0.000 2.403 417 C HA -0.219 4.237 4.460 -0.007 0.000 0.277 417 C C 3.157 178.084 174.990 -0.105 0.000 1.248 417 C CA 1.082 60.026 59.018 -0.124 0.000 1.762 417 C CB -1.409 26.257 27.740 -0.122 0.000 2.014 417 C HN 0.639 nan 8.230 nan 0.000 0.486 418 A N -0.276 122.467 122.820 -0.129 0.000 1.874 418 A HA 0.047 4.363 4.320 -0.007 0.000 0.214 418 A C 2.099 179.638 177.584 -0.074 0.000 1.189 418 A CA 1.151 53.133 52.037 -0.091 0.000 0.615 418 A CB -0.419 18.530 19.000 -0.086 0.000 0.830 418 A HN 0.574 nan 8.150 nan 0.000 0.443 419 L N -1.277 119.881 121.223 -0.108 0.000 2.102 419 L HA -0.026 4.310 4.340 -0.007 0.000 0.202 419 L C 1.445 178.317 176.870 0.004 0.000 1.076 419 L CA 0.362 55.177 54.840 -0.043 0.000 0.761 419 L CB -0.323 41.715 42.059 -0.034 0.000 0.921 419 L HN 0.429 nan 8.230 nan 0.000 0.444 420 C N 2.726 122.025 119.300 -0.002 0.000 2.518 420 C HA 0.325 4.781 4.460 -0.007 0.000 0.456 420 C C 0.103 175.099 174.990 0.011 0.000 1.016 420 C CA -0.301 58.736 59.018 0.032 0.000 1.210 420 C CB -2.271 25.503 27.740 0.057 0.000 1.542 420 C HN 0.390 nan 8.230 nan 0.000 0.545 421 N N 2.204 120.910 118.700 0.010 0.000 2.666 421 N HA 0.163 4.899 4.740 -0.007 0.000 0.260 421 N C -0.804 174.708 175.510 0.004 0.000 1.077 421 N CA -0.204 52.845 53.050 -0.001 0.000 1.026 421 N CB 1.327 39.803 38.487 -0.019 0.000 1.653 421 N HN 0.436 nan 8.380 nan 0.000 0.533 422 D N 0.589 120.991 120.400 0.004 0.000 2.368 422 D HA 0.249 4.885 4.640 -0.007 0.000 0.218 422 D C -0.252 176.044 176.300 -0.006 0.000 1.112 422 D CA 0.412 54.416 54.000 0.007 0.000 0.834 422 D CB 0.632 41.443 40.800 0.017 0.000 0.953 422 D HN 0.295 nan 8.370 nan 0.000 0.505 423 S N -0.822 114.867 115.700 -0.018 0.000 2.751 423 S HA 0.765 5.232 4.470 -0.007 0.000 0.310 423 S C -0.022 174.557 174.600 -0.035 0.000 1.128 423 S CA -0.597 57.583 58.200 -0.033 0.000 0.931 423 S CB 2.270 65.439 63.200 -0.052 0.000 1.177 423 S HN 0.208 nan 8.310 nan 0.000 0.530 424 S N -0.338 115.333 115.700 -0.048 0.000 2.757 424 S HA 0.798 5.264 4.470 -0.007 0.000 0.285 424 S C -1.913 172.655 174.600 -0.053 0.000 1.196 424 S CA -0.642 57.536 58.200 -0.037 0.000 0.856 424 S CB 0.793 63.985 63.200 -0.013 0.000 1.212 424 S HN 0.461 nan 8.310 nan 0.000 0.516 425 L N 0.908 122.123 121.223 -0.013 0.000 2.301 425 L HA 0.927 5.263 4.340 -0.007 0.000 0.264 425 L C -1.572 175.348 176.870 0.084 0.000 1.016 425 L CA -0.008 54.843 54.840 0.018 0.000 0.821 425 L CB 1.927 44.011 42.059 0.043 0.000 1.346 425 L HN 1.067 nan 8.230 nan 0.000 0.429 426 D N 0.652 121.139 120.400 0.145 0.000 2.886 426 D HA 0.274 4.910 4.640 -0.007 0.000 0.216 426 D C -1.865 174.553 176.300 0.197 0.000 1.256 426 D CA -0.261 53.828 54.000 0.148 0.000 0.844 426 D CB 1.169 42.005 40.800 0.060 0.000 1.669 426 D HN 0.260 nan 8.370 nan 0.000 0.513 427 F N 3.497 123.442 119.950 -0.007 0.000 2.405 427 F HA 0.428 4.951 4.527 -0.007 0.000 0.355 427 F C 0.030 175.745 175.800 -0.142 0.000 1.121 427 F CA -0.720 57.148 58.000 -0.220 0.000 1.112 427 F CB 0.777 39.513 39.000 -0.441 0.000 1.126 427 F HN 0.212 nan 8.300 nan 0.000 0.481 428 N N 5.273 123.525 118.700 -0.746 0.000 2.482 428 N HA 0.034 4.770 4.740 -0.007 0.000 0.242 428 N C 0.818 175.910 175.510 -0.696 0.000 1.100 428 N CA 0.309 53.042 53.050 -0.528 0.000 0.946 428 N CB 0.378 38.639 38.487 -0.377 0.000 1.227 428 N HN 0.789 nan 8.380 nan 0.000 0.508 429 E N 1.026 121.055 120.200 -0.285 0.000 2.153 429 E HA -0.136 4.210 4.350 -0.007 0.000 0.194 429 E C 0.914 177.455 176.600 -0.098 0.000 0.988 429 E CA 1.351 57.729 56.400 -0.036 0.000 0.811 429 E CB 0.345 30.103 29.700 0.097 0.000 0.746 429 E HN 0.591 nan 8.360 nan 0.000 0.466 430 T N 1.016 115.477 114.554 -0.155 0.000 2.668 430 T HA -0.133 4.214 4.350 -0.007 0.000 0.262 430 T C 1.604 176.207 174.700 -0.162 0.000 1.045 430 T CA 1.283 63.294 62.100 -0.148 0.000 1.152 430 T CB -0.103 68.651 68.868 -0.190 0.000 0.864 430 T HN 0.108 nan 8.240 nan 0.000 0.419 431 K N 0.576 120.845 120.400 -0.219 0.000 2.366 431 K HA 0.226 4.542 4.320 -0.007 0.000 0.198 431 K C 1.482 177.961 176.600 -0.201 0.000 1.044 431 K CA 0.498 56.669 56.287 -0.192 0.000 0.973 431 K CB -0.009 32.376 32.500 -0.192 0.000 0.767 431 K HN 0.420 nan 8.250 nan 0.000 0.475 432 G N 1.681 110.298 108.800 -0.305 0.000 2.198 432 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.260 432 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.260 432 G C 0.053 174.769 174.900 -0.307 0.000 1.025 432 G CA 0.404 45.374 45.100 -0.216 0.000 0.769 432 G HN 0.284 nan 8.290 nan 0.000 0.507 433 V N -3.817 115.721 119.914 -0.626 0.000 2.962 433 V HA 0.840 4.956 4.120 -0.007 0.000 0.313 433 V C 0.057 175.858 176.094 -0.489 0.000 1.099 433 V CA -2.484 59.610 62.300 -0.345 0.000 0.971 433 V CB 1.436 33.199 31.823 -0.100 0.000 1.028 433 V HN 0.260 nan 8.190 nan 0.000 0.430 434 Y N 1.083 121.392 120.300 0.015 0.000 2.336 434 Y HA 0.593 5.139 4.550 -0.007 0.000 0.331 434 Y C 0.826 176.777 175.900 0.084 0.000 1.211 434 Y CA 0.316 58.483 58.100 0.112 0.000 1.346 434 Y CB 0.895 39.497 38.460 0.236 0.000 1.271 434 Y HN 0.716 nan 8.280 nan 0.000 0.538 435 E N 1.580 121.896 120.200 0.194 0.000 2.367 435 E HA 0.260 4.606 4.350 -0.007 0.000 0.273 435 E C -1.303 175.255 176.600 -0.071 0.000 0.903 435 E CA -1.405 55.054 56.400 0.098 0.000 0.764 435 E CB 2.184 31.899 29.700 0.024 0.000 1.252 435 E HN 0.490 nan 8.360 nan 0.000 0.446 436 K N -0.183 120.035 120.400 -0.303 0.000 2.326 436 K HA 0.353 4.669 4.320 -0.007 0.000 0.275 436 K C -0.617 175.870 176.600 -0.189 0.000 1.018 436 K CA -0.458 55.557 56.287 -0.454 0.000 0.962 436 K CB 0.755 32.817 32.500 -0.730 0.000 0.953 436 K HN 0.089 nan 8.250 nan 0.000 0.475 437 V N 3.201 123.027 119.914 -0.147 0.000 2.326 437 V HA 0.527 4.643 4.120 -0.007 0.000 0.281 437 V C 0.689 176.737 176.094 -0.077 0.000 1.015 437 V CA 0.423 62.676 62.300 -0.078 0.000 0.823 437 V CB -0.098 31.700 31.823 -0.042 0.000 1.009 437 V HN 1.188 nan 8.190 nan 0.000 0.436 438 G N 5.362 114.124 108.800 -0.064 0.000 2.715 438 G HA2 -0.110 3.846 3.960 -0.007 0.000 0.221 438 G HA3 -0.110 3.846 3.960 -0.007 0.000 0.221 438 G C -0.348 174.518 174.900 -0.057 0.000 1.204 438 G CA 0.085 45.154 45.100 -0.051 0.000 1.063 438 G HN 0.867 nan 8.290 nan 0.000 0.586 439 E N 1.530 121.697 120.200 -0.055 0.000 2.174 439 E HA 0.754 5.100 4.350 -0.007 0.000 0.282 439 E C 1.273 177.844 176.600 -0.047 0.000 0.992 439 E CA 0.924 57.298 56.400 -0.044 0.000 0.803 439 E CB 1.049 30.725 29.700 -0.040 0.000 1.090 439 E HN 1.434 nan 8.360 nan 0.000 0.396 440 A N 3.475 126.289 122.820 -0.011 0.000 1.896 440 A HA -0.297 4.019 4.320 -0.007 0.000 0.220 440 A C 2.009 179.635 177.584 0.070 0.000 1.206 440 A CA 2.844 54.917 52.037 0.060 0.000 0.647 440 A CB -1.546 17.536 19.000 0.137 0.000 0.828 440 A HN 0.818 nan 8.150 nan 0.000 0.455 441 T N -2.773 111.801 114.554 0.034 0.000 3.072 441 T HA 0.001 4.347 4.350 -0.007 0.000 0.266 441 T C 1.434 176.138 174.700 0.006 0.000 1.127 441 T CA 1.344 63.459 62.100 0.025 0.000 1.107 441 T CB -0.167 68.703 68.868 0.003 0.000 0.910 441 T HN 0.648 nan 8.240 nan 0.000 0.513 442 E N 0.912 121.104 120.200 -0.013 0.000 2.075 442 E HA -0.020 4.326 4.350 -0.007 0.000 0.190 442 E C 2.338 178.919 176.600 -0.031 0.000 0.969 442 E CA 1.126 57.512 56.400 -0.024 0.000 0.815 442 E CB -0.242 29.439 29.700 -0.032 0.000 0.776 442 E HN 0.454 nan 8.360 nan 0.000 0.457 443 T N 1.589 116.106 114.554 -0.061 0.000 2.803 443 T HA -0.165 4.181 4.350 -0.007 0.000 0.269 443 T C 2.006 176.708 174.700 0.002 0.000 1.052 443 T CA 1.124 63.163 62.100 -0.101 0.000 1.136 443 T CB -0.244 68.428 68.868 -0.327 0.000 0.864 443 T HN 0.224 nan 8.240 nan 0.000 0.467 444 A N 1.191 124.061 122.820 0.084 0.000 1.997 444 A HA -0.107 4.209 4.320 -0.007 0.000 0.221 444 A C 2.228 179.829 177.584 0.029 0.000 1.172 444 A CA 1.430 53.531 52.037 0.105 0.000 0.645 444 A CB -0.777 18.273 19.000 0.083 0.000 0.813 444 A HN 0.536 nan 8.150 nan 0.000 0.454 445 L N -1.683 119.539 121.223 -0.002 0.000 2.162 445 L HA -0.071 4.265 4.340 -0.007 0.000 0.205 445 L C 2.735 179.581 176.870 -0.040 0.000 1.086 445 L CA 1.362 56.183 54.840 -0.030 0.000 0.778 445 L CB -0.940 41.096 42.059 -0.038 0.000 0.928 445 L HN 0.297 nan 8.230 nan 0.000 0.446 446 T N -0.602 113.931 114.554 -0.035 0.000 2.635 446 T HA -0.210 4.136 4.350 -0.007 0.000 0.267 446 T C 1.914 176.589 174.700 -0.041 0.000 1.040 446 T CA 2.169 64.245 62.100 -0.040 0.000 1.156 446 T CB -0.372 68.471 68.868 -0.042 0.000 0.863 446 T HN 0.319 nan 8.240 nan 0.000 0.430 447 T N 2.349 116.889 114.554 -0.023 0.000 2.684 447 T HA -0.083 4.264 4.350 -0.007 0.000 0.267 447 T C 1.915 176.585 174.700 -0.050 0.000 1.036 447 T CA 1.125 63.207 62.100 -0.029 0.000 1.148 447 T CB -0.550 68.337 68.868 0.032 0.000 0.863 447 T HN 0.154 nan 8.240 nan 0.000 0.436 448 L N 1.304 122.500 121.223 -0.045 0.000 2.042 448 L HA -0.059 4.277 4.340 -0.007 0.000 0.210 448 L C 2.391 179.210 176.870 -0.085 0.000 1.076 448 L CA 1.501 56.301 54.840 -0.066 0.000 0.749 448 L CB -0.630 41.389 42.059 -0.067 0.000 0.893 448 L HN 0.083 nan 8.230 nan 0.000 0.432 449 V N -0.252 119.612 119.914 -0.083 0.000 2.427 449 V HA -0.198 3.918 4.120 -0.007 0.000 0.248 449 V C 2.613 178.660 176.094 -0.078 0.000 1.051 449 V CA 1.660 63.905 62.300 -0.091 0.000 1.048 449 V CB -0.715 31.059 31.823 -0.082 0.000 0.666 449 V HN 0.459 nan 8.190 nan 0.000 0.456 450 E N 0.405 120.564 120.200 -0.068 0.000 2.106 450 E HA -0.177 4.169 4.350 -0.007 0.000 0.192 450 E C 2.222 178.781 176.600 -0.069 0.000 0.984 450 E CA 1.042 57.403 56.400 -0.065 0.000 0.806 450 E CB -0.220 29.432 29.700 -0.080 0.000 0.750 450 E HN 0.601 nan 8.360 nan 0.000 0.458 451 K N 0.085 120.439 120.400 -0.076 0.000 2.097 451 K HA 0.033 4.349 4.320 -0.007 0.000 0.205 451 K C 2.290 178.846 176.600 -0.073 0.000 1.050 451 K CA 0.896 57.141 56.287 -0.071 0.000 0.938 451 K CB -0.094 32.364 32.500 -0.070 0.000 0.718 451 K HN 0.093 nan 8.250 nan 0.000 0.442 452 M N 0.669 120.213 119.600 -0.094 0.000 2.175 452 M HA -0.105 4.371 4.480 -0.007 0.000 0.264 452 M C 0.420 176.654 176.300 -0.110 0.000 1.063 452 M CA 0.596 55.825 55.300 -0.119 0.000 1.119 452 M CB -0.365 32.139 32.600 -0.159 0.000 1.377 452 M HN 0.152 nan 8.290 nan 0.000 0.415 453 N N 0.870 119.513 118.700 -0.094 0.000 2.686 453 N HA -0.158 4.579 4.740 -0.007 0.000 0.261 453 N C 0.237 175.681 175.510 -0.110 0.000 1.001 453 N CA 0.204 53.213 53.050 -0.068 0.000 0.764 453 N CB -0.984 37.483 38.487 -0.034 0.000 0.898 453 N HN 0.127 nan 8.380 nan 0.000 0.544 454 V N 0.107 119.885 119.914 -0.226 0.000 2.828 454 V HA -0.167 3.949 4.120 -0.007 0.000 0.260 454 V C 1.261 177.040 176.094 -0.525 0.000 1.101 454 V CA 1.760 63.814 62.300 -0.410 0.000 1.123 454 V CB -0.579 30.904 31.823 -0.566 0.000 0.704 454 V HN 0.492 nan 8.190 nan 0.000 0.493 455 F N -0.301 119.629 119.950 -0.032 0.000 2.653 455 F HA 0.377 4.901 4.527 -0.007 0.000 0.304 455 F C 1.076 176.864 175.800 -0.020 0.000 1.092 455 F CA -0.729 57.256 58.000 -0.025 0.000 1.279 455 F CB -0.262 38.722 39.000 -0.028 0.000 1.044 455 F HN 0.137 nan 8.300 nan 0.000 0.564 456 N N 1.021 119.773 118.700 0.087 0.000 2.696 456 N HA -0.163 4.573 4.740 -0.007 0.000 0.256 456 N C -0.397 175.154 175.510 0.069 0.000 1.031 456 N CA 0.913 53.997 53.050 0.058 0.000 0.730 456 N CB -1.766 36.748 38.487 0.045 0.000 0.894 456 N HN 0.122 nan 8.380 nan 0.000 0.544 457 T N 0.466 115.066 114.554 0.077 0.000 2.869 457 T HA 0.165 4.511 4.350 -0.007 0.000 0.295 457 T C 0.736 175.454 174.700 0.031 0.000 0.987 457 T CA -0.369 61.766 62.100 0.058 0.000 1.109 457 T CB 1.850 70.759 68.868 0.068 0.000 0.932 457 T HN 0.107 nan 8.240 nan 0.000 0.518 458 E N 1.810 122.022 120.200 0.020 0.000 2.324 458 E HA 0.212 4.558 4.350 -0.007 0.000 0.271 458 E C 0.523 177.128 176.600 0.008 0.000 1.028 458 E CA -0.129 56.278 56.400 0.011 0.000 0.890 458 E CB 0.364 30.068 29.700 0.007 0.000 1.004 458 E HN 0.453 nan 8.360 nan 0.000 0.431 459 V N 1.717 121.634 119.914 0.005 0.000 3.426 459 V HA 0.219 4.335 4.120 -0.007 0.000 0.279 459 V C 1.782 177.875 176.094 -0.002 0.000 1.544 459 V CA -0.069 62.232 62.300 0.002 0.000 1.017 459 V CB -0.166 31.658 31.823 0.002 0.000 0.821 459 V HN 0.522 nan 8.190 nan 0.000 0.432 460 R N 1.839 122.337 120.500 -0.003 0.000 2.189 460 R HA -0.215 4.121 4.340 -0.007 0.000 0.252 460 R C 1.796 178.090 176.300 -0.010 0.000 1.134 460 R CA 2.417 58.514 56.100 -0.005 0.000 0.954 460 R CB -0.530 29.768 30.300 -0.004 0.000 0.890 460 R HN 0.583 nan 8.270 nan 0.000 0.443 461 N N 0.480 119.174 118.700 -0.010 0.000 2.461 461 N HA 0.021 4.757 4.740 -0.007 0.000 0.188 461 N C 0.112 175.611 175.510 -0.019 0.000 1.134 461 N CA 0.308 53.350 53.050 -0.013 0.000 0.878 461 N CB 0.219 38.700 38.487 -0.010 0.000 0.972 461 N HN 0.159 nan 8.380 nan 0.000 0.456 462 L N 1.657 122.869 121.223 -0.018 0.000 2.397 462 L HA 0.077 4.413 4.340 -0.007 0.000 0.271 462 L C 0.887 177.731 176.870 -0.043 0.000 1.148 462 L CA -0.427 54.400 54.840 -0.021 0.000 0.825 462 L CB 0.754 42.808 42.059 -0.008 0.000 1.117 462 L HN 0.064 nan 8.230 nan 0.000 0.456 463 S N 1.817 117.484 115.700 -0.056 0.000 2.566 463 S HA 0.019 4.485 4.470 -0.007 0.000 0.280 463 S C 0.838 175.349 174.600 -0.148 0.000 1.343 463 S CA -0.515 57.621 58.200 -0.106 0.000 1.036 463 S CB 0.732 63.880 63.200 -0.085 0.000 0.866 463 S HN 0.598 nan 8.310 nan 0.000 0.526 464 K N 0.864 121.064 120.400 -0.333 0.000 2.281 464 K HA -0.088 4.228 4.320 -0.007 0.000 0.203 464 K C 1.833 178.263 176.600 -0.282 0.000 1.046 464 K CA 1.288 57.294 56.287 -0.468 0.000 0.938 464 K CB -0.620 31.062 32.500 -1.364 0.000 0.737 464 K HN 0.580 nan 8.250 nan 0.000 0.458 465 V N 0.975 120.764 119.914 -0.209 0.000 2.307 465 V HA -0.234 3.882 4.120 -0.007 0.000 0.245 465 V C 1.759 177.888 176.094 0.057 0.000 1.045 465 V CA 1.781 64.090 62.300 0.016 0.000 1.024 465 V CB -0.479 31.364 31.823 0.033 0.000 0.651 465 V HN 0.295 nan 8.190 nan 0.000 0.449 466 E N 0.132 120.343 120.200 0.019 0.000 2.285 466 E HA -0.153 4.193 4.350 -0.007 0.000 0.194 466 E C 2.293 178.920 176.600 0.045 0.000 0.997 466 E CA 0.686 57.104 56.400 0.029 0.000 0.845 466 E CB -0.089 29.616 29.700 0.008 0.000 0.782 466 E HN 0.514 nan 8.360 nan 0.000 0.491 467 R N 1.093 121.630 120.500 0.061 0.000 2.161 467 R HA 0.073 4.409 4.340 -0.007 0.000 0.213 467 R C 1.977 178.329 176.300 0.087 0.000 1.055 467 R CA 1.168 57.307 56.100 0.064 0.000 0.996 467 R CB -0.268 30.069 30.300 0.061 0.000 0.901 467 R HN 0.077 nan 8.270 nan 0.000 0.456 468 A N 0.851 123.786 122.820 0.192 0.000 1.927 468 A HA -0.170 4.146 4.320 -0.007 0.000 0.220 468 A C 1.469 179.095 177.584 0.069 0.000 1.185 468 A CA 1.895 54.051 52.037 0.199 0.000 0.639 468 A CB -0.420 18.787 19.000 0.344 0.000 0.820 468 A HN 0.542 nan 8.150 nan 0.000 0.451 469 N N -1.478 117.258 118.700 0.060 0.000 2.238 469 N HA 0.351 5.087 4.740 -0.007 0.000 0.235 469 N C 1.258 176.780 175.510 0.020 0.000 1.209 469 N CA 0.657 53.724 53.050 0.029 0.000 0.879 469 N CB 0.620 39.125 38.487 0.030 0.000 1.136 469 N HN 0.427 nan 8.380 nan 0.000 0.517 470 A N 0.694 123.526 122.820 0.021 0.000 1.834 470 A HA -0.180 4.136 4.320 -0.007 0.000 0.216 470 A C 2.372 179.967 177.584 0.019 0.000 1.203 470 A CA 1.396 53.444 52.037 0.017 0.000 0.621 470 A CB -0.988 18.022 19.000 0.016 0.000 0.841 470 A HN 0.437 nan 8.150 nan 0.000 0.446 471 C N -0.087 119.223 119.300 0.017 0.000 2.411 471 C HA -0.100 4.356 4.460 -0.007 0.000 0.279 471 C C 2.649 177.661 174.990 0.036 0.000 1.288 471 C CA 1.066 60.104 59.018 0.034 0.000 1.764 471 C CB -1.648 26.099 27.740 0.011 0.000 1.974 471 C HN 0.610 nan 8.230 nan 0.000 0.498 472 N N 0.737 119.444 118.700 0.011 0.000 2.216 472 N HA -0.078 4.658 4.740 -0.007 0.000 0.183 472 N C 1.908 177.424 175.510 0.011 0.000 1.017 472 N CA 1.112 54.164 53.050 0.004 0.000 0.861 472 N CB -0.248 38.233 38.487 -0.010 0.000 0.986 472 N HN 0.449 nan 8.380 nan 0.000 0.428 473 S N 0.750 116.457 115.700 0.012 0.000 2.359 473 S HA -0.080 4.386 4.470 -0.007 0.000 0.224 473 S C 2.264 176.865 174.600 0.002 0.000 1.035 473 S CA 0.771 58.975 58.200 0.007 0.000 1.018 473 S CB -0.277 62.927 63.200 0.006 0.000 0.876 473 S HN 0.081 nan 8.310 nan 0.000 0.448 474 V N 1.934 121.856 119.914 0.013 0.000 2.332 474 V HA -0.183 3.933 4.120 -0.007 0.000 0.248 474 V C 2.013 178.102 176.094 -0.008 0.000 1.055 474 V CA 1.585 63.881 62.300 -0.007 0.000 1.038 474 V CB -0.591 31.250 31.823 0.030 0.000 0.651 474 V HN 0.465 nan 8.190 nan 0.000 0.450 475 I N -0.606 120.002 120.570 0.063 0.000 2.353 475 I HA -0.170 3.996 4.170 -0.007 0.000 0.248 475 I C 2.476 178.600 176.117 0.012 0.000 1.119 475 I CA 1.224 62.571 61.300 0.078 0.000 1.417 475 I CB -0.368 37.675 38.000 0.072 0.000 1.078 475 I HN 0.193 nan 8.210 nan 0.000 0.421 476 R N 0.470 120.971 120.500 0.002 0.000 2.357 476 R HA -0.115 4.221 4.340 -0.007 0.000 0.202 476 R C 1.789 178.085 176.300 -0.007 0.000 1.047 476 R CA 0.555 56.654 56.100 -0.002 0.000 1.034 476 R CB -0.120 30.180 30.300 -0.001 0.000 0.875 476 R HN 0.533 nan 8.270 nan 0.000 0.473 477 Q N -0.150 119.637 119.800 -0.022 0.000 2.396 477 Q HA 0.105 4.441 4.340 -0.007 0.000 0.209 477 Q C 1.701 177.677 176.000 -0.041 0.000 0.906 477 Q CA 0.345 56.127 55.803 -0.035 0.000 0.927 477 Q CB 0.491 29.195 28.738 -0.058 0.000 1.069 477 Q HN 0.363 nan 8.270 nan 0.000 0.523 478 L N -0.415 120.787 121.223 -0.036 0.000 2.270 478 L HA 0.130 4.466 4.340 -0.007 0.000 0.210 478 L C 0.668 177.540 176.870 0.004 0.000 1.104 478 L CA 0.604 55.427 54.840 -0.029 0.000 0.804 478 L CB 0.112 42.161 42.059 -0.016 0.000 0.937 478 L HN 0.164 nan 8.230 nan 0.000 0.450 479 M N 0.269 119.880 119.600 0.018 0.000 2.277 479 M HA 0.256 4.732 4.480 -0.007 0.000 0.282 479 M C -0.878 175.437 176.300 0.025 0.000 1.074 479 M CA -0.335 54.986 55.300 0.034 0.000 0.954 479 M CB 2.616 35.274 32.600 0.098 0.000 1.672 479 M HN -0.109 nan 8.290 nan 0.000 0.471 480 K N 3.054 123.462 120.400 0.014 0.000 2.383 480 K HA 0.154 4.470 4.320 -0.007 0.000 0.286 480 K C -0.149 176.459 176.600 0.013 0.000 1.051 480 K CA 0.031 56.328 56.287 0.016 0.000 0.974 480 K CB 0.892 33.404 32.500 0.019 0.000 0.968 480 K HN 0.597 nan 8.250 nan 0.000 0.475 481 K N 3.813 124.223 120.400 0.017 0.000 2.349 481 K HA -0.044 4.272 4.320 -0.007 0.000 0.289 481 K C 0.152 176.762 176.600 0.016 0.000 1.064 481 K CA 0.135 56.425 56.287 0.005 0.000 0.947 481 K CB 0.782 33.292 32.500 0.017 0.000 1.007 481 K HN 0.609 nan 8.250 nan 0.000 0.478 482 E N 3.292 123.485 120.200 -0.012 0.000 2.201 482 E HA 0.103 4.449 4.350 -0.007 0.000 0.193 482 E C -0.657 176.060 176.600 0.194 0.000 0.957 482 E CA 0.753 57.202 56.400 0.082 0.000 0.858 482 E CB 0.258 30.043 29.700 0.142 0.000 0.816 482 E HN 0.544 nan 8.360 nan 0.000 0.475 483 F N -3.688 116.295 119.950 0.055 0.000 2.817 483 F HA 0.574 5.097 4.527 -0.007 0.000 0.317 483 F C -1.050 174.753 175.800 0.004 0.000 1.168 483 F CA -1.277 56.727 58.000 0.006 0.000 0.911 483 F CB 1.132 40.103 39.000 -0.049 0.000 1.337 483 F HN -0.465 nan 8.300 nan 0.000 0.464 484 T N 2.282 116.965 114.554 0.215 0.000 2.841 484 T HA 0.576 4.922 4.350 -0.007 0.000 0.283 484 T C -0.652 174.070 174.700 0.037 0.000 1.000 484 T CA -0.601 61.547 62.100 0.081 0.000 0.977 484 T CB 1.480 70.388 68.868 0.067 0.000 0.979 484 T HN 0.620 nan 8.240 nan 0.000 0.446 485 L N 3.543 124.699 121.223 -0.111 0.000 2.352 485 L HA 0.331 4.667 4.340 -0.007 0.000 0.272 485 L C 0.242 177.016 176.870 -0.160 0.000 1.109 485 L CA -0.928 53.632 54.840 -0.467 0.000 0.952 485 L CB -0.338 41.336 42.059 -0.642 0.000 1.314 485 L HN 0.615 nan 8.230 nan 0.000 0.427 486 E N 1.600 121.809 120.200 0.016 0.000 2.696 486 E HA -0.144 4.202 4.350 -0.007 0.000 0.270 486 E C -0.040 176.726 176.600 0.277 0.000 0.958 486 E CA 0.292 56.806 56.400 0.189 0.000 0.964 486 E CB 0.198 30.042 29.700 0.241 0.000 0.948 486 E HN 0.278 nan 8.360 nan 0.000 0.472 487 F N 1.979 122.004 119.950 0.125 0.000 2.654 487 F HA -0.089 4.434 4.527 -0.007 0.000 0.338 487 F C 0.372 176.267 175.800 0.159 0.000 1.126 487 F CA 1.213 59.290 58.000 0.127 0.000 1.352 487 F CB 0.417 39.472 39.000 0.091 0.000 1.013 487 F HN 0.435 nan 8.300 nan 0.000 0.632 488 S N 4.045 119.274 115.700 -0.785 0.000 2.548 488 S HA 0.377 4.843 4.470 -0.007 0.000 0.278 488 S C -0.033 174.071 174.600 -0.826 0.000 1.150 488 S CA -1.170 56.725 58.200 -0.508 0.000 0.907 488 S CB 1.848 64.953 63.200 -0.159 0.000 1.108 488 S HN 0.771 nan 8.310 nan 0.000 0.459 489 R N 1.149 121.408 120.500 -0.403 0.000 2.293 489 R HA -0.079 4.257 4.340 -0.007 0.000 0.219 489 R C 1.540 177.737 176.300 -0.171 0.000 1.091 489 R CA 1.695 57.660 56.100 -0.224 0.000 1.004 489 R CB -0.266 30.039 30.300 0.009 0.000 0.865 489 R HN 0.873 nan 8.270 nan 0.000 0.469 490 D N 0.503 120.795 120.400 -0.179 0.000 2.162 490 D HA -0.188 4.448 4.640 -0.007 0.000 0.203 490 D C 1.652 177.892 176.300 -0.100 0.000 0.967 490 D CA 0.904 54.839 54.000 -0.109 0.000 0.840 490 D CB -0.051 40.693 40.800 -0.094 0.000 0.972 490 D HN 0.345 nan 8.370 nan 0.000 0.482 491 R N 0.370 120.784 120.500 -0.143 0.000 2.344 491 R HA 0.137 4.474 4.340 -0.007 0.000 0.209 491 R C 0.267 176.522 176.300 -0.074 0.000 0.886 491 R CA -0.352 55.701 56.100 -0.078 0.000 1.040 491 R CB 0.018 30.296 30.300 -0.036 0.000 1.114 491 R HN -0.217 nan 8.270 nan 0.000 0.547 492 K N 2.063 122.327 120.400 -0.226 0.000 3.653 492 K HA -0.186 4.131 4.320 -0.007 0.000 0.275 492 K C -1.040 175.663 176.600 0.171 0.000 0.962 492 K CA 0.994 57.252 56.287 -0.048 0.000 0.773 492 K CB -1.480 31.118 32.500 0.163 0.000 1.463 492 K HN 0.718 nan 8.250 nan 0.000 0.450 493 S N -1.106 114.673 115.700 0.131 0.000 2.636 493 S HA 0.768 5.234 4.470 -0.007 0.000 0.266 493 S C -0.786 173.949 174.600 0.225 0.000 1.147 493 S CA -0.887 57.445 58.200 0.220 0.000 0.815 493 S CB 2.244 65.524 63.200 0.134 0.000 1.119 493 S HN 0.499 nan 8.310 nan 0.000 0.470 494 M N -0.207 119.507 119.600 0.189 0.000 2.721 494 M HA 0.909 5.385 4.480 -0.007 0.000 0.271 494 M C -1.252 175.105 176.300 0.096 0.000 1.259 494 M CA -0.541 54.848 55.300 0.149 0.000 0.835 494 M CB 1.858 34.566 32.600 0.181 0.000 1.689 494 M HN 1.415 nan 8.290 nan 0.000 0.470 495 S N 0.015 115.747 115.700 0.054 0.000 2.587 495 S HA 0.845 5.311 4.470 -0.007 0.000 0.269 495 S C -1.168 173.428 174.600 -0.006 0.000 1.154 495 S CA -0.316 57.906 58.200 0.036 0.000 0.824 495 S CB 1.537 64.754 63.200 0.029 0.000 1.118 495 S HN 1.796 nan 8.310 nan 0.000 0.462 496 V N -0.858 119.041 119.914 -0.024 0.000 2.709 496 V HA 0.730 4.846 4.120 -0.007 0.000 0.308 496 V C -1.266 174.699 176.094 -0.215 0.000 1.062 496 V CA -0.921 61.328 62.300 -0.085 0.000 0.901 496 V CB 1.205 33.026 31.823 -0.002 0.000 1.003 496 V HN 1.019 nan 8.190 nan 0.000 0.425 497 Y N 3.188 123.128 120.300 -0.599 0.000 2.350 497 Y HA 0.669 5.215 4.550 -0.007 0.000 0.340 497 Y C -0.057 175.544 175.900 -0.499 0.000 1.006 497 Y CA -0.165 57.494 58.100 -0.735 0.000 1.166 497 Y CB 1.005 38.559 38.460 -1.510 0.000 1.168 497 Y HN 0.945 nan 8.280 nan 0.000 0.502 498 C N 5.047 124.008 119.300 -0.565 0.000 2.396 498 C HA 0.546 5.002 4.460 -0.007 0.000 0.321 498 C C -0.389 174.425 174.990 -0.295 0.000 1.233 498 C CA -0.983 57.864 59.018 -0.285 0.000 1.440 498 C CB 0.153 27.816 27.740 -0.128 0.000 2.110 498 C HN 0.897 nan 8.230 nan 0.000 0.473 499 S N 4.174 119.808 115.700 -0.110 0.000 2.578 499 S HA 0.694 5.160 4.470 -0.007 0.000 0.283 499 S C -2.711 171.866 174.600 -0.039 0.000 1.195 499 S CA -1.087 57.073 58.200 -0.067 0.000 1.050 499 S CB 1.215 64.426 63.200 0.019 0.000 1.012 499 S HN 0.613 nan 8.310 nan 0.000 0.511 500 P HA 0.227 nan 4.420 nan 0.000 0.271 500 P C 0.347 177.643 177.300 -0.008 0.000 1.216 500 P CA -0.299 62.791 63.100 -0.016 0.000 0.776 500 P CB 1.104 32.792 31.700 -0.020 0.000 0.881 501 A N 4.225 127.041 122.820 -0.006 0.000 1.903 501 A HA -0.022 4.294 4.320 -0.007 0.000 0.213 501 A C 1.736 179.315 177.584 -0.009 0.000 1.185 501 A CA 1.148 53.181 52.037 -0.006 0.000 0.628 501 A CB -0.411 18.584 19.000 -0.008 0.000 0.830 501 A HN 0.516 nan 8.150 nan 0.000 0.446 502 K N -0.583 119.809 120.400 -0.015 0.000 2.387 502 K HA 0.264 4.580 4.320 -0.007 0.000 0.203 502 K C 0.119 176.710 176.600 -0.014 0.000 1.030 502 K CA 0.505 56.782 56.287 -0.017 0.000 1.099 502 K CB 0.569 33.054 32.500 -0.025 0.000 0.863 502 K HN 0.277 nan 8.250 nan 0.000 0.529 503 S N 0.508 116.201 115.700 -0.012 0.000 3.270 503 S HA -0.137 4.329 4.470 -0.007 0.000 0.293 503 S C -0.160 174.432 174.600 -0.012 0.000 1.278 503 S CA 0.883 59.077 58.200 -0.010 0.000 1.038 503 S CB -1.086 62.109 63.200 -0.007 0.000 1.218 503 S HN 0.308 nan 8.310 nan 0.000 0.659 504 S N 0.921 116.611 115.700 -0.016 0.000 2.498 504 S HA 0.592 5.058 4.470 -0.007 0.000 0.317 504 S C 0.745 175.334 174.600 -0.019 0.000 1.090 504 S CA -0.362 57.827 58.200 -0.019 0.000 1.089 504 S CB 1.688 64.874 63.200 -0.024 0.000 0.997 504 S HN 0.653 nan 8.310 nan 0.000 0.470 505 R N 0.445 120.937 120.500 -0.014 0.000 3.994 505 R HA -0.205 4.131 4.340 -0.007 0.000 0.403 505 R C -0.123 176.172 176.300 -0.007 0.000 1.126 505 R CA 1.189 57.283 56.100 -0.010 0.000 1.143 505 R CB -2.353 27.941 30.300 -0.011 0.000 1.695 505 R HN 0.596 nan 8.270 nan 0.000 0.555 506 A N 0.959 123.773 122.820 -0.010 0.000 2.347 506 A HA 0.699 5.015 4.320 -0.007 0.000 0.287 506 A C 1.210 178.787 177.584 -0.013 0.000 1.199 506 A CA 0.208 52.239 52.037 -0.011 0.000 0.851 506 A CB 0.871 19.864 19.000 -0.013 0.000 1.118 506 A HN 0.694 nan 8.150 nan 0.000 0.525 507 A N 2.539 125.350 122.820 -0.016 0.000 2.359 507 A HA 0.423 4.740 4.320 -0.007 0.000 0.240 507 A C 1.124 178.693 177.584 -0.024 0.000 1.306 507 A CA 0.546 52.572 52.037 -0.018 0.000 0.898 507 A CB -0.730 18.258 19.000 -0.020 0.000 0.956 507 A HN 1.813 nan 8.150 nan 0.000 0.497 508 V N -2.163 117.736 119.914 -0.024 0.000 2.070 508 V HA -0.270 3.846 4.120 -0.007 0.000 0.100 508 V C 1.412 177.479 176.094 -0.045 0.000 0.533 508 V CA 0.848 63.132 62.300 -0.025 0.000 1.406 508 V CB -2.344 29.470 31.823 -0.015 0.000 1.610 508 V HN 1.059 nan 8.190 nan 0.000 0.921 509 G N 1.511 110.275 108.800 -0.061 0.000 2.192 509 G HA2 0.163 4.119 3.960 -0.007 0.000 0.258 509 G HA3 0.163 4.119 3.960 -0.007 0.000 0.258 509 G C 0.243 175.047 174.900 -0.160 0.000 1.185 509 G CA 0.336 45.373 45.100 -0.104 0.000 0.976 509 G HN 0.535 nan 8.290 nan 0.000 0.446 510 N N 2.296 120.867 118.700 -0.215 0.000 3.209 510 N HA 0.081 4.817 4.740 -0.007 0.000 0.309 510 N C 0.325 175.416 175.510 -0.698 0.000 1.384 510 N CA -0.205 52.612 53.050 -0.387 0.000 1.173 510 N CB 0.652 38.978 38.487 -0.268 0.000 1.460 510 N HN 0.355 nan 8.380 nan 0.000 0.534 511 K N 0.650 120.706 120.400 -0.573 0.000 2.591 511 K HA -0.003 4.313 4.320 -0.007 0.000 0.280 511 K C 0.506 176.529 176.600 -0.963 0.000 0.964 511 K CA 0.859 56.706 56.287 -0.732 0.000 1.014 511 K CB 0.489 32.486 32.500 -0.838 0.000 0.877 511 K HN 0.258 nan 8.250 nan 0.000 0.502 512 M N 3.223 122.354 119.600 -0.782 0.000 2.227 512 M HA 0.347 4.823 4.480 -0.007 0.000 0.335 512 M C -1.037 174.920 176.300 -0.571 0.000 1.053 512 M CA -0.541 54.395 55.300 -0.607 0.000 0.973 512 M CB 0.894 33.326 32.600 -0.280 0.000 1.623 512 M HN 0.267 nan 8.290 nan 0.000 0.434 513 F N 2.419 122.298 119.950 -0.118 0.000 2.436 513 F HA 0.625 5.148 4.527 -0.007 0.000 0.340 513 F C -0.094 175.677 175.800 -0.049 0.000 1.113 513 F CA -0.896 57.056 58.000 -0.080 0.000 1.022 513 F CB 1.264 40.213 39.000 -0.085 0.000 1.128 513 F HN 0.142 nan 8.300 nan 0.000 0.466 514 V N 3.487 123.500 119.914 0.164 0.000 2.735 514 V HA 0.641 4.758 4.120 -0.007 0.000 0.310 514 V C -0.709 175.435 176.094 0.082 0.000 1.061 514 V CA -1.130 61.230 62.300 0.100 0.000 0.913 514 V CB 2.229 34.103 31.823 0.085 0.000 1.005 514 V HN 0.757 nan 8.190 nan 0.000 0.428 515 K N 2.464 122.915 120.400 0.085 0.000 2.523 515 K HA 0.903 5.219 4.320 -0.007 0.000 0.257 515 K C -0.566 176.100 176.600 0.110 0.000 0.932 515 K CA -0.437 55.896 56.287 0.075 0.000 0.812 515 K CB 2.606 35.136 32.500 0.050 0.000 1.326 515 K HN 1.090 nan 8.250 nan 0.000 0.433 516 G N 0.576 109.442 108.800 0.109 0.000 2.342 516 G HA2 0.489 4.445 3.960 -0.007 0.000 0.297 516 G HA3 0.489 4.445 3.960 -0.007 0.000 0.297 516 G C -1.418 173.558 174.900 0.126 0.000 1.313 516 G CA -0.567 44.619 45.100 0.143 0.000 0.830 516 G HN 0.778 nan 8.290 nan 0.000 0.506 517 A N 0.686 123.591 122.820 0.142 0.000 2.580 517 A HA 0.458 4.774 4.320 -0.007 0.000 0.244 517 A C -0.640 177.005 177.584 0.102 0.000 1.045 517 A CA 0.741 52.849 52.037 0.117 0.000 0.761 517 A CB -0.196 18.876 19.000 0.120 0.000 0.962 517 A HN 0.367 nan 8.150 nan 0.000 0.512 518 P HA -0.264 nan 4.420 nan 0.000 0.213 518 P C 1.240 178.586 177.300 0.077 0.000 1.176 518 P CA 2.189 65.348 63.100 0.098 0.000 0.919 518 P CB 0.053 31.807 31.700 0.090 0.000 0.791 519 E N -1.153 119.079 120.200 0.053 0.000 2.208 519 E HA -0.047 4.299 4.350 -0.007 0.000 0.193 519 E C 2.291 178.913 176.600 0.037 0.000 0.988 519 E CA 1.140 57.559 56.400 0.032 0.000 0.828 519 E CB -1.337 28.373 29.700 0.015 0.000 0.763 519 E HN 0.181 nan 8.360 nan 0.000 0.478 520 G N 1.948 110.778 108.800 0.049 0.000 2.446 520 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.217 520 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.217 520 G C 1.748 176.683 174.900 0.059 0.000 1.168 520 G CA 1.188 46.317 45.100 0.048 0.000 0.771 520 G HN 0.199 nan 8.290 nan 0.000 0.551 521 V N 1.438 121.400 119.914 0.081 0.000 2.270 521 V HA -0.120 3.996 4.120 -0.007 0.000 0.245 521 V C 2.832 178.989 176.094 0.105 0.000 1.043 521 V CA 1.526 63.887 62.300 0.101 0.000 1.014 521 V CB -0.445 31.453 31.823 0.125 0.000 0.645 521 V HN 0.392 nan 8.190 nan 0.000 0.447 522 I N 0.464 121.093 120.570 0.099 0.000 2.194 522 I HA -0.279 3.887 4.170 -0.007 0.000 0.246 522 I C 2.167 178.299 176.117 0.025 0.000 1.093 522 I CA 1.774 63.111 61.300 0.061 0.000 1.355 522 I CB -0.789 37.202 38.000 -0.016 0.000 1.046 522 I HN 0.335 nan 8.210 nan 0.000 0.413 523 D N 1.069 121.480 120.400 0.018 0.000 2.265 523 D HA -0.134 4.502 4.640 -0.007 0.000 0.208 523 D C 1.709 178.016 176.300 0.012 0.000 0.977 523 D CA 0.946 54.949 54.000 0.005 0.000 0.871 523 D CB -0.164 40.639 40.800 0.004 0.000 0.925 523 D HN 0.473 nan 8.370 nan 0.000 0.485 524 R N -0.427 120.093 120.500 0.034 0.000 2.466 524 R HA 0.247 4.583 4.340 -0.007 0.000 0.279 524 R C -0.168 176.162 176.300 0.050 0.000 0.976 524 R CA -0.150 55.974 56.100 0.040 0.000 1.081 524 R CB -0.090 30.242 30.300 0.054 0.000 1.215 524 R HN 0.042 nan 8.270 nan 0.000 0.546 525 C N 1.336 120.663 119.300 0.045 0.000 2.341 525 C HA 0.353 4.809 4.460 -0.007 0.000 0.338 525 C C 1.156 176.124 174.990 -0.036 0.000 1.257 525 C CA -0.755 58.298 59.018 0.058 0.000 1.883 525 C CB 1.178 28.995 27.740 0.128 0.000 2.334 525 C HN 0.488 nan 8.230 nan 0.000 0.524 526 N N 0.199 118.821 118.700 -0.130 0.000 2.407 526 N HA 0.130 4.866 4.740 -0.007 0.000 0.182 526 N C -0.501 174.699 175.510 -0.515 0.000 1.079 526 N CA 0.650 53.451 53.050 -0.414 0.000 0.882 526 N CB 0.334 38.396 38.487 -0.709 0.000 1.106 526 N HN 0.706 nan 8.380 nan 0.000 0.461 527 Y N -0.150 120.191 120.300 0.068 0.000 2.621 527 Y HA 0.590 5.136 4.550 -0.007 0.000 0.334 527 Y C 0.275 176.246 175.900 0.119 0.000 1.074 527 Y CA -1.435 56.711 58.100 0.076 0.000 1.149 527 Y CB 1.272 39.771 38.460 0.065 0.000 1.302 527 Y HN -0.294 nan 8.280 nan 0.000 0.501 528 V N -1.039 119.051 119.914 0.294 0.000 2.876 528 V HA 0.701 4.817 4.120 -0.007 0.000 0.312 528 V C -0.846 175.384 176.094 0.227 0.000 1.085 528 V CA -1.351 61.126 62.300 0.295 0.000 0.945 528 V CB 1.848 33.844 31.823 0.288 0.000 1.017 528 V HN 0.791 nan 8.190 nan 0.000 0.428 529 R N 2.127 122.744 120.500 0.194 0.000 2.410 529 R HA 0.756 5.093 4.340 -0.007 0.000 0.288 529 R C -1.082 175.300 176.300 0.136 0.000 1.051 529 R CA -0.238 55.937 56.100 0.124 0.000 1.021 529 R CB 1.578 31.918 30.300 0.066 0.000 1.032 529 R HN 0.784 nan 8.270 nan 0.000 0.481 530 V N 5.343 125.325 119.914 0.113 0.000 2.443 530 V HA 0.422 4.538 4.120 -0.007 0.000 0.272 530 V C 0.818 176.973 176.094 0.102 0.000 1.002 530 V CA 0.157 62.529 62.300 0.120 0.000 0.840 530 V CB 0.388 32.281 31.823 0.115 0.000 1.042 530 V HN 1.145 nan 8.190 nan 0.000 0.446 531 G N 4.761 113.627 108.800 0.109 0.000 2.557 531 G HA2 -0.351 3.605 3.960 -0.007 0.000 0.292 531 G HA3 -0.351 3.605 3.960 -0.007 0.000 0.292 531 G C 1.047 175.985 174.900 0.062 0.000 1.162 531 G CA 1.186 46.341 45.100 0.092 0.000 0.964 531 G HN 1.336 nan 8.290 nan 0.000 0.541 532 T N -0.966 113.617 114.554 0.049 0.000 3.022 532 T HA 0.437 4.783 4.350 -0.007 0.000 0.250 532 T C 1.355 176.073 174.700 0.030 0.000 1.060 532 T CA 1.633 63.755 62.100 0.035 0.000 1.013 532 T CB -0.218 68.667 68.868 0.028 0.000 0.982 532 T HN 1.807 nan 8.240 nan 0.000 0.508 533 T N 0.441 115.018 114.554 0.039 0.000 2.849 533 T HA 0.491 4.837 4.350 -0.007 0.000 0.284 533 T C -0.194 174.532 174.700 0.043 0.000 1.004 533 T CA -0.976 61.145 62.100 0.034 0.000 1.021 533 T CB 1.519 70.412 68.868 0.043 0.000 1.013 533 T HN 0.457 nan 8.240 nan 0.000 0.527 534 R N 0.765 121.283 120.500 0.030 0.000 2.686 534 R HA 0.674 5.010 4.340 -0.007 0.000 0.286 534 R C -1.295 175.057 176.300 0.087 0.000 0.969 534 R CA -0.815 55.313 56.100 0.046 0.000 0.898 534 R CB 1.981 32.248 30.300 -0.054 0.000 1.183 534 R HN 0.805 nan 8.270 nan 0.000 0.456 535 V N 0.378 120.388 119.914 0.160 0.000 3.114 535 V HA 0.670 4.786 4.120 -0.007 0.000 0.308 535 V C -2.891 173.353 176.094 0.249 0.000 1.168 535 V CA -2.696 59.711 62.300 0.178 0.000 1.015 535 V CB 2.047 33.944 31.823 0.122 0.000 1.050 535 V HN 0.653 nan 8.190 nan 0.000 0.433 536 P HA 0.229 nan 4.420 nan 0.000 0.267 536 P C -0.444 176.878 177.300 0.037 0.000 1.200 536 P CA -0.010 63.147 63.100 0.095 0.000 0.772 536 P CB 0.214 31.948 31.700 0.056 0.000 0.855 537 M N 3.759 123.336 119.600 -0.038 0.000 3.011 537 M HA 0.106 4.582 4.480 -0.007 0.000 0.292 537 M C 0.256 176.528 176.300 -0.046 0.000 1.440 537 M CA -0.083 55.196 55.300 -0.036 0.000 1.552 537 M CB -1.329 31.235 32.600 -0.059 0.000 1.187 537 M HN 0.328 nan 8.290 nan 0.000 0.520 538 T N 0.503 115.041 114.554 -0.026 0.000 2.734 538 T HA 0.338 4.684 4.350 -0.007 0.000 0.314 538 T C 1.277 175.949 174.700 -0.047 0.000 1.057 538 T CA 0.053 62.135 62.100 -0.029 0.000 1.047 538 T CB 0.761 69.621 68.868 -0.013 0.000 0.991 538 T HN 0.696 nan 8.240 nan 0.000 0.540 539 G N 0.917 109.691 108.800 -0.043 0.000 2.394 539 G HA2 0.026 3.982 3.960 -0.007 0.000 0.214 539 G HA3 0.026 3.982 3.960 -0.007 0.000 0.214 539 G C -0.831 174.031 174.900 -0.064 0.000 1.176 539 G CA 0.325 45.394 45.100 -0.052 0.000 0.786 539 G HN 0.661 nan 8.290 nan 0.000 0.533 540 P HA -0.010 nan 4.420 nan 0.000 0.220 540 P C 2.011 179.248 177.300 -0.105 0.000 1.148 540 P CA 0.434 63.491 63.100 -0.072 0.000 0.803 540 P CB 0.036 31.705 31.700 -0.050 0.000 0.782 541 V N 0.496 120.350 119.914 -0.100 0.000 2.244 541 V HA -0.254 3.862 4.120 -0.007 0.000 0.244 541 V C 2.484 178.478 176.094 -0.168 0.000 1.042 541 V CA 1.919 64.142 62.300 -0.129 0.000 1.006 541 V CB -1.018 30.750 31.823 -0.091 0.000 0.641 541 V HN 0.105 nan 8.190 nan 0.000 0.446 542 K N -0.203 120.107 120.400 -0.149 0.000 2.160 542 K HA -0.286 4.030 4.320 -0.007 0.000 0.206 542 K C 2.170 178.677 176.600 -0.154 0.000 1.047 542 K CA 2.130 58.318 56.287 -0.164 0.000 0.930 542 K CB -0.125 32.304 32.500 -0.119 0.000 0.720 542 K HN 0.596 nan 8.250 nan 0.000 0.450 543 E N -0.154 119.967 120.200 -0.132 0.000 2.158 543 E HA -0.156 4.190 4.350 -0.007 0.000 0.191 543 E C 1.774 178.279 176.600 -0.157 0.000 0.982 543 E CA 0.630 56.956 56.400 -0.123 0.000 0.823 543 E CB 0.216 29.858 29.700 -0.097 0.000 0.766 543 E HN 0.029 nan 8.360 nan 0.000 0.468 544 K N 0.815 121.102 120.400 -0.189 0.000 2.007 544 K HA -0.088 4.228 4.320 -0.007 0.000 0.206 544 K C 2.010 178.426 176.600 -0.305 0.000 1.047 544 K CA 0.668 56.810 56.287 -0.243 0.000 0.937 544 K CB -0.449 31.895 32.500 -0.260 0.000 0.718 544 K HN 0.108 nan 8.250 nan 0.000 0.438 545 I N 1.801 122.193 120.570 -0.296 0.000 2.069 545 I HA -0.294 3.872 4.170 -0.007 0.000 0.237 545 I C 2.367 178.361 176.117 -0.206 0.000 1.053 545 I CA 1.305 62.437 61.300 -0.279 0.000 1.311 545 I CB -0.933 36.829 38.000 -0.396 0.000 1.030 545 I HN 0.089 nan 8.210 nan 0.000 0.398 546 L N 0.087 121.204 121.223 -0.176 0.000 2.127 546 L HA -0.239 4.097 4.340 -0.007 0.000 0.211 546 L C 2.614 179.407 176.870 -0.128 0.000 1.089 546 L CA 1.640 56.408 54.840 -0.120 0.000 0.757 546 L CB -0.763 41.236 42.059 -0.100 0.000 0.899 546 L HN 0.398 nan 8.230 nan 0.000 0.434 547 S N -0.882 114.720 115.700 -0.163 0.000 2.368 547 S HA -0.136 4.330 4.470 -0.007 0.000 0.225 547 S C 1.885 176.368 174.600 -0.194 0.000 1.030 547 S CA 1.192 59.300 58.200 -0.153 0.000 0.999 547 S CB -0.790 62.317 63.200 -0.154 0.000 0.844 547 S HN 0.189 nan 8.310 nan 0.000 0.459 548 V N 2.155 121.877 119.914 -0.320 0.000 2.453 548 V HA -0.043 4.073 4.120 -0.007 0.000 0.247 548 V C 2.435 178.243 176.094 -0.477 0.000 1.048 548 V CA 1.437 63.441 62.300 -0.493 0.000 1.049 548 V CB -0.764 30.547 31.823 -0.854 0.000 0.672 548 V HN 0.471 nan 8.190 nan 0.000 0.457 549 I N 0.256 120.670 120.570 -0.260 0.000 2.208 549 I HA -0.306 3.860 4.170 -0.007 0.000 0.245 549 I C 2.582 178.704 176.117 0.009 0.000 1.097 549 I CA 2.034 63.291 61.300 -0.072 0.000 1.363 549 I CB -0.386 37.626 38.000 0.019 0.000 1.051 549 I HN 0.309 nan 8.210 nan 0.000 0.413 550 K N 1.115 121.502 120.400 -0.022 0.000 2.097 550 K HA -0.208 4.108 4.320 -0.007 0.000 0.205 550 K C 1.976 178.605 176.600 0.049 0.000 1.050 550 K CA 1.367 57.663 56.287 0.015 0.000 0.938 550 K CB -0.016 32.477 32.500 -0.012 0.000 0.718 550 K HN 0.266 nan 8.250 nan 0.000 0.442 551 E N -0.236 119.981 120.200 0.028 0.000 2.012 551 E HA -0.210 4.136 4.350 -0.007 0.000 0.197 551 E C 1.668 178.432 176.600 0.274 0.000 1.007 551 E CA 1.602 58.068 56.400 0.111 0.000 0.816 551 E CB -0.199 29.552 29.700 0.086 0.000 0.762 551 E HN 0.446 nan 8.360 nan 0.000 0.451 552 W N -0.067 121.259 121.300 0.044 0.000 2.359 552 W HA -0.080 4.576 4.660 -0.006 0.000 0.275 552 W C 2.134 178.678 176.519 0.040 0.000 1.217 552 W CA 1.163 58.540 57.345 0.053 0.000 1.196 552 W CB -1.033 28.484 29.460 0.093 0.000 1.129 552 W HN 0.173 nan 8.180 nan 0.000 0.566 553 G N -1.555 107.395 108.800 0.251 0.000 2.880 553 G HA2 0.136 4.092 3.960 -0.007 0.000 0.209 553 G HA3 0.136 4.092 3.960 -0.007 0.000 0.209 553 G C 0.199 175.160 174.900 0.102 0.000 1.157 553 G CA 0.609 45.802 45.100 0.155 0.000 0.779 553 G HN 0.124 nan 8.290 nan 0.000 0.539 554 T N -1.637 112.979 114.554 0.102 0.000 2.812 554 T HA 0.634 4.980 4.350 -0.007 0.000 0.294 554 T C 0.693 175.428 174.700 0.058 0.000 1.159 554 T CA 0.225 62.363 62.100 0.063 0.000 1.008 554 T CB 1.639 70.536 68.868 0.049 0.000 1.289 554 T HN 1.007 nan 8.240 nan 0.000 0.514 555 G N 1.121 109.941 108.800 0.033 0.000 2.547 555 G HA2 -0.309 3.647 3.960 -0.007 0.000 0.271 555 G HA3 -0.309 3.647 3.960 -0.007 0.000 0.271 555 G C 0.862 175.775 174.900 0.021 0.000 1.209 555 G CA 0.758 45.872 45.100 0.024 0.000 0.959 555 G HN 0.804 nan 8.290 nan 0.000 0.563 556 R N 1.319 121.830 120.500 0.018 0.000 2.140 556 R HA -0.116 4.220 4.340 -0.007 0.000 0.250 556 R C 0.468 176.765 176.300 -0.005 0.000 1.150 556 R CA 2.159 58.262 56.100 0.006 0.000 0.966 556 R CB -0.563 29.741 30.300 0.005 0.000 0.869 556 R HN 0.779 nan 8.270 nan 0.000 0.445 557 D N -1.029 119.372 120.400 0.002 0.000 2.425 557 D HA 0.130 4.766 4.640 -0.007 0.000 0.240 557 D C -1.000 175.310 176.300 0.016 0.000 1.080 557 D CA -0.419 53.567 54.000 -0.022 0.000 0.836 557 D CB 1.907 42.654 40.800 -0.087 0.000 1.125 557 D HN -0.277 nan 8.370 nan 0.000 0.525 558 T N 3.363 117.923 114.554 0.010 0.000 3.355 558 T HA 0.270 4.616 4.350 -0.007 0.000 0.376 558 T C 0.098 174.815 174.700 0.028 0.000 1.683 558 T CA -0.540 61.579 62.100 0.032 0.000 1.269 558 T CB -0.277 68.605 68.868 0.023 0.000 1.158 558 T HN 0.248 nan 8.240 nan 0.000 0.703 559 L N 2.316 123.567 121.223 0.047 0.000 2.357 559 L HA 0.529 4.865 4.340 -0.007 0.000 0.273 559 L C 0.785 177.700 176.870 0.075 0.000 1.080 559 L CA -1.102 53.761 54.840 0.039 0.000 0.803 559 L CB 0.957 43.028 42.059 0.021 0.000 1.174 559 L HN 0.269 nan 8.230 nan 0.000 0.443 560 R N 1.276 121.809 120.500 0.055 0.000 2.296 560 R HA 0.300 4.636 4.340 -0.007 0.000 0.323 560 R C -0.926 175.430 176.300 0.092 0.000 1.067 560 R CA -0.455 55.686 56.100 0.067 0.000 0.946 560 R CB 0.255 30.582 30.300 0.044 0.000 0.991 560 R HN 0.526 nan 8.270 nan 0.000 0.448 561 C N 3.450 122.824 119.300 0.123 0.000 2.365 561 C HA 0.601 5.057 4.460 -0.007 0.000 0.349 561 C C -0.378 174.678 174.990 0.110 0.000 1.191 561 C CA -0.686 58.425 59.018 0.155 0.000 2.114 561 C CB 0.847 28.716 27.740 0.214 0.000 2.367 561 C HN 0.620 nan 8.230 nan 0.000 0.530 562 L N 2.247 123.527 121.223 0.095 0.000 2.476 562 L HA 0.640 4.976 4.340 -0.007 0.000 0.269 562 L C 0.004 176.902 176.870 0.046 0.000 0.965 562 L CA -0.017 54.863 54.840 0.068 0.000 0.845 562 L CB 1.293 43.379 42.059 0.045 0.000 1.259 562 L HN 0.864 nan 8.230 nan 0.000 0.403 563 A N 5.378 128.241 122.820 0.073 0.000 2.327 563 A HA 0.796 5.112 4.320 -0.007 0.000 0.283 563 A C -0.964 176.633 177.584 0.021 0.000 1.127 563 A CA -0.279 51.809 52.037 0.086 0.000 0.810 563 A CB 0.291 19.405 19.000 0.191 0.000 1.066 563 A HN 0.654 nan 8.150 nan 0.000 0.492 564 L N 1.629 122.796 121.223 -0.094 0.000 2.362 564 L HA 0.783 5.119 4.340 -0.007 0.000 0.275 564 L C 0.248 177.016 176.870 -0.171 0.000 0.998 564 L CA -0.262 54.505 54.840 -0.122 0.000 0.820 564 L CB 1.907 43.862 42.059 -0.173 0.000 1.270 564 L HN 0.855 nan 8.230 nan 0.000 0.415 565 A N 1.351 124.150 122.820 -0.035 0.000 2.593 565 A HA 0.919 5.235 4.320 -0.007 0.000 0.290 565 A C -0.700 176.935 177.584 0.086 0.000 1.126 565 A CA -0.422 51.620 52.037 0.008 0.000 0.695 565 A CB 2.237 21.285 19.000 0.080 0.000 1.290 565 A HN 0.610 nan 8.150 nan 0.000 0.414 566 T N -0.905 113.702 114.554 0.089 0.000 2.906 566 T HA 0.645 4.992 4.350 -0.007 0.000 0.295 566 T C -0.778 173.925 174.700 0.005 0.000 1.061 566 T CA -0.708 61.428 62.100 0.060 0.000 1.000 566 T CB 1.571 70.507 68.868 0.113 0.000 1.103 566 T HN 0.636 nan 8.240 nan 0.000 0.486 567 R N 2.023 122.478 120.500 -0.075 0.000 2.205 567 R HA 0.186 4.522 4.340 -0.007 0.000 0.342 567 R C 0.015 176.248 176.300 -0.111 0.000 1.058 567 R CA -0.394 55.679 56.100 -0.046 0.000 0.904 567 R CB 0.548 30.827 30.300 -0.036 0.000 1.089 567 R HN 0.730 nan 8.270 nan 0.000 0.471 568 D N 1.164 121.524 120.400 -0.067 0.000 2.178 568 D HA -0.072 4.564 4.640 -0.007 0.000 0.201 568 D C -0.062 176.173 176.300 -0.109 0.000 0.980 568 D CA 1.544 55.482 54.000 -0.102 0.000 0.842 568 D CB 0.498 41.234 40.800 -0.106 0.000 0.948 568 D HN 0.358 nan 8.370 nan 0.000 0.472 569 T N 2.620 117.132 114.554 -0.070 0.000 3.226 569 T HA 0.304 4.650 4.350 -0.007 0.000 0.378 569 T C -2.581 172.110 174.700 -0.016 0.000 1.380 569 T CA -1.295 60.777 62.100 -0.047 0.000 1.396 569 T CB 2.128 70.985 68.868 -0.019 0.000 1.044 569 T HN -0.104 nan 8.240 nan 0.000 0.586 570 P HA 0.356 nan 4.420 nan 0.000 0.274 570 P C -2.358 175.008 177.300 0.111 0.000 1.237 570 P CA -1.329 61.783 63.100 0.021 0.000 0.793 570 P CB -0.155 31.482 31.700 -0.104 0.000 0.977 571 P HA 0.161 nan 4.420 nan 0.000 0.280 571 P C -0.484 176.907 177.300 0.151 0.000 1.278 571 P CA -0.158 63.018 63.100 0.128 0.000 0.787 571 P CB 0.392 32.152 31.700 0.101 0.000 1.163 572 K N 0.037 120.482 120.400 0.075 0.000 2.098 572 K HA 0.261 4.577 4.320 -0.007 0.000 0.257 572 K C 1.600 178.154 176.600 -0.076 0.000 0.999 572 K CA -0.356 55.959 56.287 0.047 0.000 0.924 572 K CB 0.545 33.062 32.500 0.030 0.000 1.028 572 K HN 0.213 nan 8.250 nan 0.000 0.466 573 R N 1.313 121.729 120.500 -0.140 0.000 2.105 573 R HA -0.192 4.144 4.340 -0.007 0.000 0.239 573 R C 1.507 177.697 176.300 -0.183 0.000 1.135 573 R CA 1.530 57.484 56.100 -0.244 0.000 0.967 573 R CB -0.136 30.063 30.300 -0.168 0.000 0.861 573 R HN 0.580 nan 8.270 nan 0.000 0.442 574 E N 1.030 121.171 120.200 -0.099 0.000 2.058 574 E HA -0.191 4.155 4.350 -0.007 0.000 0.194 574 E C 1.396 177.959 176.600 -0.062 0.000 0.997 574 E CA 1.431 57.788 56.400 -0.071 0.000 0.801 574 E CB -0.034 29.646 29.700 -0.033 0.000 0.746 574 E HN 0.408 nan 8.360 nan 0.000 0.450 575 E N -0.534 119.640 120.200 -0.043 0.000 2.502 575 E HA 0.077 4.423 4.350 -0.007 0.000 0.194 575 E C -0.206 176.399 176.600 0.009 0.000 1.062 575 E CA 0.043 56.443 56.400 0.000 0.000 0.867 575 E CB 0.106 29.825 29.700 0.032 0.000 0.888 575 E HN 0.215 nan 8.360 nan 0.000 0.510 576 M N 1.050 120.587 119.600 -0.105 0.000 2.294 576 M HA 0.304 4.780 4.480 -0.007 0.000 0.335 576 M C -1.011 175.209 176.300 -0.132 0.000 1.079 576 M CA -0.707 54.472 55.300 -0.201 0.000 0.982 576 M CB 2.385 34.628 32.600 -0.596 0.000 1.651 576 M HN -0.247 nan 8.290 nan 0.000 0.437 577 V N 4.558 124.530 119.914 0.097 0.000 2.513 577 V HA 0.367 4.483 4.120 -0.007 0.000 0.299 577 V C 0.564 176.767 176.094 0.182 0.000 1.035 577 V CA -0.497 61.847 62.300 0.074 0.000 0.889 577 V CB 1.929 33.806 31.823 0.091 0.000 0.988 577 V HN 0.896 nan 8.190 nan 0.000 0.440 578 L N 2.077 123.350 121.223 0.083 0.000 2.470 578 L HA 0.093 4.429 4.340 -0.007 0.000 0.219 578 L C 1.802 178.799 176.870 0.211 0.000 1.071 578 L CA 0.646 55.619 54.840 0.221 0.000 0.850 578 L CB -0.124 41.944 42.059 0.017 0.000 1.040 578 L HN 0.875 nan 8.230 nan 0.000 0.475 579 D N -1.343 119.101 120.400 0.073 0.000 2.392 579 D HA -0.146 4.490 4.640 -0.007 0.000 0.228 579 D C 0.377 176.657 176.300 -0.033 0.000 1.003 579 D CA 0.408 54.426 54.000 0.030 0.000 0.917 579 D CB -0.054 40.749 40.800 0.005 0.000 0.890 579 D HN 0.036 nan 8.370 nan 0.000 0.532 580 D N -0.094 120.241 120.400 -0.107 0.000 2.469 580 D HA 0.077 4.713 4.640 -0.007 0.000 0.251 580 D C 0.790 176.699 176.300 -0.653 0.000 1.173 580 D CA -0.595 53.255 54.000 -0.251 0.000 0.882 580 D CB 1.435 42.129 40.800 -0.176 0.000 1.129 580 D HN -0.012 nan 8.370 nan 0.000 0.549 581 S N 1.458 116.725 115.700 -0.722 0.000 2.537 581 S HA -0.154 4.312 4.470 -0.007 0.000 0.240 581 S C 1.562 175.659 174.600 -0.840 0.000 0.981 581 S CA 1.095 58.565 58.200 -1.218 0.000 0.948 581 S CB -0.262 62.705 63.200 -0.388 0.000 0.759 581 S HN 0.334 nan 8.310 nan 0.000 0.531 582 S N 1.653 117.038 115.700 -0.525 0.000 2.496 582 S HA 0.129 4.595 4.470 -0.007 0.000 0.224 582 S C 1.818 176.231 174.600 -0.313 0.000 0.996 582 S CA -0.413 57.597 58.200 -0.315 0.000 0.927 582 S CB -0.236 62.837 63.200 -0.212 0.000 0.774 582 S HN 0.466 nan 8.310 nan 0.000 0.524 583 R N 1.214 121.459 120.500 -0.425 0.000 2.115 583 R HA 0.171 4.507 4.340 -0.007 0.000 0.226 583 R C 1.745 177.806 176.300 -0.399 0.000 1.100 583 R CA 0.814 56.654 56.100 -0.433 0.000 0.980 583 R CB -1.363 28.705 30.300 -0.387 0.000 0.875 583 R HN 0.584 nan 8.270 nan 0.000 0.445 584 F N 1.409 121.247 119.950 -0.186 0.000 2.095 584 F HA -0.228 4.295 4.527 -0.007 0.000 0.298 584 F C 2.680 178.463 175.800 -0.028 0.000 1.104 584 F CA 0.862 58.865 58.000 0.006 0.000 1.232 584 F CB -0.465 38.595 39.000 0.101 0.000 0.987 584 F HN -0.010 nan 8.300 nan 0.000 0.475 585 M N 0.951 120.617 119.600 0.110 0.000 2.143 585 M HA -0.282 4.194 4.480 -0.007 0.000 0.258 585 M C 1.851 178.170 176.300 0.033 0.000 1.071 585 M CA 2.033 57.366 55.300 0.054 0.000 1.088 585 M CB -0.230 32.367 32.600 -0.004 0.000 1.360 585 M HN 0.011 nan 8.290 nan 0.000 0.404 586 E N -0.668 119.501 120.200 -0.053 0.000 2.112 586 E HA -0.131 4.216 4.350 -0.007 0.000 0.190 586 E C 1.576 178.205 176.600 0.048 0.000 0.979 586 E CA 1.529 57.897 56.400 -0.054 0.000 0.814 586 E CB -0.471 29.142 29.700 -0.145 0.000 0.762 586 E HN 0.710 nan 8.360 nan 0.000 0.460 587 Y N 1.242 121.621 120.300 0.131 0.000 2.207 587 Y HA -0.050 4.496 4.550 -0.007 0.000 0.287 587 Y C 0.676 176.638 175.900 0.104 0.000 1.156 587 Y CA 1.162 59.342 58.100 0.132 0.000 1.182 587 Y CB -0.395 38.169 38.460 0.174 0.000 0.979 587 Y HN 0.103 nan 8.280 nan 0.000 0.521 588 E N 1.056 121.403 120.200 0.247 0.000 1.979 588 E HA 0.221 4.567 4.350 -0.007 0.000 0.285 588 E C -0.017 176.654 176.600 0.118 0.000 1.188 588 E CA -0.095 56.401 56.400 0.159 0.000 1.214 588 E CB -0.159 29.624 29.700 0.139 0.000 1.210 588 E HN 0.249 nan 8.360 nan 0.000 0.477 589 T N -2.214 112.410 114.554 0.116 0.000 2.787 589 T HA 0.301 4.647 4.350 -0.007 0.000 0.297 589 T C -0.136 174.623 174.700 0.098 0.000 1.221 589 T CA -0.937 61.217 62.100 0.090 0.000 1.006 589 T CB 1.522 70.434 68.868 0.072 0.000 1.328 589 T HN 0.104 nan 8.240 nan 0.000 0.509 590 D N -0.268 120.182 120.400 0.083 0.000 2.746 590 D HA -0.124 4.512 4.640 -0.007 0.000 0.236 590 D C -0.487 175.918 176.300 0.176 0.000 1.129 590 D CA 0.588 54.655 54.000 0.112 0.000 0.691 590 D CB -1.570 39.309 40.800 0.132 0.000 1.077 590 D HN 0.667 nan 8.370 nan 0.000 0.432 591 L N -0.640 120.671 121.223 0.147 0.000 2.387 591 L HA 0.550 4.886 4.340 -0.007 0.000 0.266 591 L C 1.014 178.029 176.870 0.241 0.000 1.059 591 L CA -0.642 54.298 54.840 0.168 0.000 0.801 591 L CB 1.416 43.551 42.059 0.128 0.000 1.223 591 L HN -0.085 nan 8.230 nan 0.000 0.456 592 T N 1.041 115.724 114.554 0.215 0.000 2.770 592 T HA 0.278 4.624 4.350 -0.007 0.000 0.297 592 T C -0.462 174.355 174.700 0.194 0.000 0.997 592 T CA -0.292 61.951 62.100 0.237 0.000 0.949 592 T CB 0.339 69.303 68.868 0.161 0.000 0.941 592 T HN 0.258 nan 8.240 nan 0.000 0.457 593 F N 4.548 124.558 119.950 0.101 0.000 2.578 593 F HA 0.221 4.744 4.527 -0.007 0.000 0.381 593 F C 0.786 176.627 175.800 0.067 0.000 1.069 593 F CA 0.130 58.172 58.000 0.071 0.000 1.231 593 F CB 0.480 39.518 39.000 0.064 0.000 1.086 593 F HN 0.347 nan 8.300 nan 0.000 0.564 594 V N 5.033 124.450 119.914 -0.828 0.000 2.602 594 V HA 0.476 4.592 4.120 -0.007 0.000 0.235 594 V C 1.153 176.694 176.094 -0.922 0.000 1.087 594 V CA 0.815 62.745 62.300 -0.616 0.000 1.117 594 V CB -0.295 31.336 31.823 -0.321 0.000 0.820 594 V HN 1.012 nan 8.190 nan 0.000 0.490 595 G N -0.962 107.155 108.800 -1.139 0.000 2.554 595 G HA2 0.552 4.508 3.960 -0.007 0.000 0.306 595 G HA3 0.552 4.508 3.960 -0.007 0.000 0.306 595 G C -2.182 172.343 174.900 -0.625 0.000 1.320 595 G CA -0.166 44.450 45.100 -0.807 0.000 0.800 595 G HN 0.023 nan 8.290 nan 0.000 0.481 596 V N -0.268 119.244 119.914 -0.670 0.000 2.876 596 V HA 0.753 4.869 4.120 -0.007 0.000 0.312 596 V C -0.309 175.686 176.094 -0.165 0.000 1.085 596 V CA -0.658 61.389 62.300 -0.423 0.000 0.945 596 V CB 1.935 33.410 31.823 -0.581 0.000 1.017 596 V HN 1.378 nan 8.190 nan 0.000 0.428 597 V N 0.590 120.505 119.914 0.002 0.000 2.540 597 V HA 1.007 5.123 4.120 -0.007 0.000 0.302 597 V C 0.146 176.331 176.094 0.151 0.000 1.035 597 V CA -0.334 62.013 62.300 0.078 0.000 0.873 597 V CB 1.454 33.276 31.823 -0.002 0.000 0.992 597 V HN 0.999 nan 8.190 nan 0.000 0.428 598 G N 5.761 114.637 108.800 0.125 0.000 2.343 598 G HA2 0.713 4.669 3.960 -0.007 0.000 0.319 598 G HA3 0.713 4.669 3.960 -0.007 0.000 0.319 598 G C -0.616 174.259 174.900 -0.043 0.000 1.126 598 G CA -0.775 44.356 45.100 0.053 0.000 0.889 598 G HN 1.357 nan 8.290 nan 0.000 0.457 599 M N 1.587 121.179 119.600 -0.013 0.000 2.531 599 M HA 0.844 5.320 4.480 -0.007 0.000 0.286 599 M C -1.718 174.567 176.300 -0.024 0.000 1.232 599 M CA -1.086 54.196 55.300 -0.029 0.000 0.877 599 M CB 2.545 35.141 32.600 -0.007 0.000 1.726 599 M HN 0.428 nan 8.290 nan 0.000 0.463 600 L N -0.710 120.490 121.223 -0.039 0.000 2.491 600 L HA 0.681 5.017 4.340 -0.007 0.000 0.254 600 L C -1.205 175.638 176.870 -0.044 0.000 1.048 600 L CA -0.933 53.887 54.840 -0.033 0.000 0.855 600 L CB 0.482 42.517 42.059 -0.039 0.000 1.466 600 L HN 0.833 nan 8.230 nan 0.000 0.409 601 D N 2.225 122.601 120.400 -0.039 0.000 2.342 601 D HA 0.445 5.081 4.640 -0.007 0.000 0.260 601 D C -2.398 173.863 176.300 -0.066 0.000 1.278 601 D CA -0.891 53.076 54.000 -0.056 0.000 0.910 601 D CB 0.601 41.379 40.800 -0.037 0.000 1.079 601 D HN 0.501 nan 8.370 nan 0.000 0.496 602 P HA 0.377 nan 4.420 nan 0.000 0.282 602 P C -2.777 174.470 177.300 -0.088 0.000 1.259 602 P CA -2.012 61.038 63.100 -0.083 0.000 0.826 602 P CB 0.346 31.991 31.700 -0.091 0.000 1.064 603 P HA 0.125 nan 4.420 nan 0.000 0.269 603 P C 0.004 177.241 177.300 -0.105 0.000 1.209 603 P CA 0.153 63.187 63.100 -0.110 0.000 0.776 603 P CB 0.385 32.017 31.700 -0.113 0.000 0.876 604 R N 2.064 122.493 120.500 -0.118 0.000 2.643 604 R HA 0.024 4.360 4.340 -0.007 0.000 0.270 604 R C 1.787 178.035 176.300 -0.088 0.000 1.061 604 R CA -0.041 56.006 56.100 -0.088 0.000 1.107 604 R CB 0.305 30.563 30.300 -0.070 0.000 0.999 604 R HN 0.565 nan 8.270 nan 0.000 0.460 605 K N 2.106 122.474 120.400 -0.055 0.000 2.097 605 K HA -0.161 4.155 4.320 -0.007 0.000 0.205 605 K C 1.254 177.829 176.600 -0.042 0.000 1.050 605 K CA 1.370 57.628 56.287 -0.048 0.000 0.938 605 K CB 0.001 32.482 32.500 -0.032 0.000 0.718 605 K HN 0.576 nan 8.250 nan 0.000 0.442 606 E N 1.966 122.154 120.200 -0.019 0.000 2.106 606 E HA -0.138 4.209 4.350 -0.007 0.000 0.192 606 E C 2.231 178.820 176.600 -0.020 0.000 0.984 606 E CA 1.204 57.609 56.400 0.009 0.000 0.806 606 E CB -0.903 28.835 29.700 0.064 0.000 0.750 606 E HN 0.176 nan 8.360 nan 0.000 0.458 607 V N 2.585 122.427 119.914 -0.119 0.000 2.236 607 V HA -0.369 3.747 4.120 -0.007 0.000 0.255 607 V C 2.750 178.734 176.094 -0.183 0.000 1.068 607 V CA 2.668 64.782 62.300 -0.311 0.000 1.044 607 V CB -0.705 30.820 31.823 -0.497 0.000 0.653 607 V HN 0.302 nan 8.190 nan 0.000 0.448 608 M N -0.095 119.424 119.600 -0.135 0.000 2.108 608 M HA -0.165 4.311 4.480 -0.007 0.000 0.261 608 M C 2.028 178.299 176.300 -0.049 0.000 1.066 608 M CA 2.468 57.713 55.300 -0.092 0.000 1.107 608 M CB -0.668 31.887 32.600 -0.074 0.000 1.356 608 M HN 0.484 nan 8.290 nan 0.000 0.406 609 G N -0.679 108.104 108.800 -0.028 0.000 2.453 609 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.215 609 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.215 609 G C 1.339 176.248 174.900 0.016 0.000 1.201 609 G CA 1.070 46.167 45.100 -0.005 0.000 0.784 609 G HN 0.546 nan 8.290 nan 0.000 0.545 610 S N 0.856 116.584 115.700 0.047 0.000 2.393 610 S HA -0.207 4.259 4.470 -0.007 0.000 0.234 610 S C 2.229 176.881 174.600 0.087 0.000 1.064 610 S CA 1.522 59.785 58.200 0.105 0.000 1.088 610 S CB -0.378 62.977 63.200 0.257 0.000 0.939 610 S HN 0.384 nan 8.310 nan 0.000 0.448 611 I N 0.943 121.541 120.570 0.046 0.000 2.361 611 I HA -0.162 4.004 4.170 -0.007 0.000 0.251 611 I C 2.849 178.970 176.117 0.007 0.000 1.133 611 I CA 1.017 62.331 61.300 0.023 0.000 1.413 611 I CB -0.330 37.647 38.000 -0.039 0.000 1.073 611 I HN 0.287 nan 8.210 nan 0.000 0.424 612 Q N 0.928 120.728 119.800 0.001 0.000 2.062 612 Q HA -0.078 4.258 4.340 -0.007 0.000 0.196 612 Q C 2.394 178.398 176.000 0.006 0.000 0.967 612 Q CA 1.350 57.152 55.803 -0.002 0.000 0.832 612 Q CB -0.295 28.440 28.738 -0.006 0.000 0.899 612 Q HN 0.486 nan 8.270 nan 0.000 0.442 613 L N -0.204 121.026 121.223 0.013 0.000 1.997 613 L HA -0.343 3.993 4.340 -0.007 0.000 0.216 613 L C 2.701 179.579 176.870 0.013 0.000 1.074 613 L CA 1.627 56.476 54.840 0.014 0.000 0.763 613 L CB -0.936 41.136 42.059 0.021 0.000 0.890 613 L HN 0.284 nan 8.230 nan 0.000 0.434 614 C N -0.629 118.685 119.300 0.022 0.000 2.393 614 C HA -0.220 4.236 4.460 -0.007 0.000 0.276 614 C C 3.044 178.038 174.990 0.007 0.000 1.215 614 C CA 1.245 60.274 59.018 0.018 0.000 1.743 614 C CB -1.062 26.698 27.740 0.033 0.000 2.044 614 C HN 0.507 nan 8.230 nan 0.000 0.464 615 R N 0.813 121.316 120.500 0.005 0.000 2.127 615 R HA -0.160 4.176 4.340 -0.007 0.000 0.238 615 R C 1.356 177.655 176.300 -0.002 0.000 1.134 615 R CA 2.071 58.170 56.100 -0.002 0.000 0.975 615 R CB -0.440 29.857 30.300 -0.006 0.000 0.865 615 R HN 0.472 nan 8.270 nan 0.000 0.447 616 D N -0.094 120.306 120.400 -0.001 0.000 2.312 616 D HA -0.036 4.600 4.640 -0.007 0.000 0.211 616 D C 0.912 177.210 176.300 -0.003 0.000 0.964 616 D CA 1.157 55.156 54.000 -0.002 0.000 0.877 616 D CB 0.290 41.090 40.800 -0.000 0.000 0.924 616 D HN 0.404 nan 8.370 nan 0.000 0.515 617 A N -0.582 122.236 122.820 -0.003 0.000 2.423 617 A HA 0.508 4.824 4.320 -0.007 0.000 0.246 617 A C 1.574 179.153 177.584 -0.009 0.000 1.278 617 A CA 0.562 52.595 52.037 -0.006 0.000 0.903 617 A CB -0.064 18.932 19.000 -0.006 0.000 0.997 617 A HN 0.147 nan 8.150 nan 0.000 0.510 618 G N -0.476 108.319 108.800 -0.008 0.000 2.143 618 G HA2 -0.222 3.734 3.960 -0.007 0.000 0.248 618 G HA3 -0.222 3.734 3.960 -0.007 0.000 0.248 618 G C -0.014 174.881 174.900 -0.009 0.000 0.991 618 G CA 0.413 45.507 45.100 -0.010 0.000 0.689 618 G HN 0.511 nan 8.290 nan 0.000 0.522 619 I N 0.649 121.215 120.570 -0.005 0.000 2.354 619 I HA 0.420 4.586 4.170 -0.007 0.000 0.292 619 I C 0.991 177.110 176.117 0.003 0.000 0.989 619 I CA -0.936 60.363 61.300 -0.002 0.000 1.188 619 I CB 1.256 39.255 38.000 -0.001 0.000 1.342 619 I HN -0.038 nan 8.210 nan 0.000 0.457 620 R N 4.175 124.678 120.500 0.006 0.000 2.539 620 R HA 0.551 4.887 4.340 -0.007 0.000 0.275 620 R C -0.981 175.327 176.300 0.013 0.000 1.077 620 R CA -0.459 55.645 56.100 0.006 0.000 1.097 620 R CB 1.531 31.840 30.300 0.014 0.000 1.018 620 R HN 0.372 nan 8.270 nan 0.000 0.483 621 V N 4.486 124.400 119.914 0.001 0.000 2.495 621 V HA 0.401 4.517 4.120 -0.007 0.000 0.298 621 V C -0.422 175.665 176.094 -0.011 0.000 1.031 621 V CA -0.830 61.477 62.300 0.012 0.000 0.871 621 V CB 1.752 33.586 31.823 0.018 0.000 0.988 621 V HN 0.506 nan 8.190 nan 0.000 0.432 622 I N 4.348 124.935 120.570 0.028 0.000 2.465 622 I HA 0.474 4.640 4.170 -0.007 0.000 0.291 622 I C -0.107 176.043 176.117 0.055 0.000 1.014 622 I CA -0.589 60.741 61.300 0.050 0.000 1.093 622 I CB 1.820 39.914 38.000 0.156 0.000 1.267 622 I HN 0.683 nan 8.210 nan 0.000 0.431 623 M N 7.417 127.028 119.600 0.019 0.000 2.144 623 M HA 0.578 5.054 4.480 -0.007 0.000 0.356 623 M C -1.509 174.870 176.300 0.132 0.000 1.217 623 M CA -0.071 55.251 55.300 0.036 0.000 1.087 623 M CB 0.438 33.019 32.600 -0.032 0.000 1.609 623 M HN 0.439 nan 8.290 nan 0.000 0.467 624 I N 4.474 125.114 120.570 0.116 0.000 2.410 624 I HA 0.386 4.552 4.170 -0.007 0.000 0.286 624 I C -0.305 175.853 176.117 0.069 0.000 1.009 624 I CA -0.223 61.152 61.300 0.124 0.000 1.111 624 I CB 2.068 40.104 38.000 0.060 0.000 1.262 624 I HN 0.635 nan 8.210 nan 0.000 0.443 625 T N 3.088 117.684 114.554 0.069 0.000 2.912 625 T HA 0.485 4.831 4.350 -0.007 0.000 0.299 625 T C 0.911 175.634 174.700 0.039 0.000 1.052 625 T CA -0.383 61.743 62.100 0.042 0.000 0.996 625 T CB 1.609 70.496 68.868 0.033 0.000 1.070 625 T HN 0.712 nan 8.240 nan 0.000 0.465 626 G N 2.269 111.086 108.800 0.027 0.000 2.712 626 G HA2 0.096 4.052 3.960 -0.007 0.000 0.212 626 G HA3 0.096 4.052 3.960 -0.007 0.000 0.212 626 G C 0.486 175.401 174.900 0.024 0.000 1.142 626 G CA 0.002 45.117 45.100 0.025 0.000 0.789 626 G HN 0.681 nan 8.290 nan 0.000 0.535 627 D N 0.800 121.213 120.400 0.023 0.000 2.363 627 D HA 0.049 4.685 4.640 -0.007 0.000 0.240 627 D C 0.926 177.242 176.300 0.027 0.000 1.236 627 D CA -0.539 53.474 54.000 0.022 0.000 0.927 627 D CB 0.407 41.217 40.800 0.018 0.000 1.150 627 D HN 0.347 nan 8.370 nan 0.000 0.458 628 N N 0.826 119.541 118.700 0.026 0.000 2.444 628 N HA -0.051 4.685 4.740 -0.007 0.000 0.255 628 N C 0.622 176.147 175.510 0.024 0.000 1.255 628 N CA -0.434 52.633 53.050 0.027 0.000 0.933 628 N CB 1.181 39.685 38.487 0.028 0.000 1.143 628 N HN 0.372 nan 8.380 nan 0.000 0.453 629 K N 1.206 121.620 120.400 0.023 0.000 2.032 629 K HA -0.135 4.181 4.320 -0.007 0.000 0.209 629 K C 1.995 178.602 176.600 0.011 0.000 1.048 629 K CA 1.829 58.126 56.287 0.015 0.000 0.927 629 K CB -0.717 31.787 32.500 0.006 0.000 0.712 629 K HN 0.762 nan 8.250 nan 0.000 0.441 630 G N -0.357 108.449 108.800 0.010 0.000 2.459 630 G HA2 -0.246 3.710 3.960 -0.007 0.000 0.217 630 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.217 630 G C 1.441 176.349 174.900 0.013 0.000 1.183 630 G CA 1.458 46.563 45.100 0.007 0.000 0.776 630 G HN 0.356 nan 8.290 nan 0.000 0.552 631 T N 1.578 116.141 114.554 0.015 0.000 2.821 631 T HA 0.072 4.418 4.350 -0.007 0.000 0.267 631 T C 2.800 177.508 174.700 0.013 0.000 1.046 631 T CA 1.380 63.488 62.100 0.013 0.000 1.139 631 T CB -0.336 68.539 68.868 0.012 0.000 0.871 631 T HN 0.384 nan 8.240 nan 0.000 0.454 632 A N 1.288 124.120 122.820 0.019 0.000 1.883 632 A HA -0.059 4.257 4.320 -0.007 0.000 0.217 632 A C 2.278 179.888 177.584 0.044 0.000 1.186 632 A CA 1.344 53.395 52.037 0.023 0.000 0.624 632 A CB -0.735 18.282 19.000 0.028 0.000 0.822 632 A HN 0.518 nan 8.150 nan 0.000 0.444 633 I N -0.647 119.960 120.570 0.062 0.000 2.233 633 I HA -0.205 3.961 4.170 -0.007 0.000 0.243 633 I C 3.030 179.202 176.117 0.092 0.000 1.093 633 I CA 0.835 62.207 61.300 0.120 0.000 1.380 633 I CB -0.553 37.483 38.000 0.060 0.000 1.067 633 I HN 0.365 nan 8.210 nan 0.000 0.413 634 A N 1.538 124.383 122.820 0.042 0.000 1.896 634 A HA -0.263 4.053 4.320 -0.007 0.000 0.220 634 A C 2.246 179.841 177.584 0.018 0.000 1.206 634 A CA 1.960 54.012 52.037 0.025 0.000 0.647 634 A CB -0.852 18.155 19.000 0.011 0.000 0.828 634 A HN 0.351 nan 8.150 nan 0.000 0.455 635 I N -0.551 120.023 120.570 0.006 0.000 2.252 635 I HA -0.224 3.942 4.170 -0.007 0.000 0.245 635 I C 2.677 178.775 176.117 -0.031 0.000 1.102 635 I CA 0.945 62.232 61.300 -0.022 0.000 1.385 635 I CB -1.619 36.360 38.000 -0.034 0.000 1.064 635 I HN 0.420 nan 8.210 nan 0.000 0.414 636 C N 0.646 119.940 119.300 -0.010 0.000 2.413 636 C HA -0.173 4.283 4.460 -0.007 0.000 0.277 636 C C 2.962 177.954 174.990 0.003 0.000 1.265 636 C CA 0.792 59.778 59.018 -0.054 0.000 1.752 636 C CB -1.023 26.677 27.740 -0.066 0.000 1.998 636 C HN 0.439 nan 8.230 nan 0.000 0.489 637 R N 0.221 120.774 120.500 0.088 0.000 2.062 637 R HA -0.057 4.279 4.340 -0.007 0.000 0.231 637 R C 2.482 178.792 176.300 0.016 0.000 1.136 637 R CA 1.104 57.254 56.100 0.084 0.000 0.948 637 R CB -0.386 29.961 30.300 0.078 0.000 0.845 637 R HN 0.562 nan 8.270 nan 0.000 0.430 638 R N 0.908 121.403 120.500 -0.007 0.000 2.103 638 R HA -0.149 4.187 4.340 -0.007 0.000 0.242 638 R C 2.345 178.616 176.300 -0.049 0.000 1.142 638 R CA 1.860 57.942 56.100 -0.031 0.000 0.960 638 R CB -0.509 29.765 30.300 -0.043 0.000 0.858 638 R HN 0.414 nan 8.270 nan 0.000 0.439 639 I N -4.156 116.374 120.570 -0.067 0.000 3.728 639 I HA 0.325 4.491 4.170 -0.007 0.000 0.307 639 I C 1.078 177.145 176.117 -0.084 0.000 1.276 639 I CA 0.764 62.008 61.300 -0.094 0.000 1.285 639 I CB 0.597 38.511 38.000 -0.143 0.000 1.038 639 I HN 0.244 nan 8.210 nan 0.000 0.445 640 G N 1.803 110.566 108.800 -0.062 0.000 2.179 640 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.220 640 G HA3 -0.243 3.713 3.960 -0.007 0.000 0.220 640 G C 0.767 175.620 174.900 -0.079 0.000 0.990 640 G CA 0.273 45.344 45.100 -0.048 0.000 0.646 640 G HN 0.411 nan 8.290 nan 0.000 0.517 641 I N -0.308 120.168 120.570 -0.156 0.000 2.194 641 I HA -0.018 4.148 4.170 -0.007 0.000 0.246 641 I C 1.380 177.283 176.117 -0.358 0.000 1.093 641 I CA 1.494 62.610 61.300 -0.306 0.000 1.355 641 I CB -0.213 37.513 38.000 -0.457 0.000 1.046 641 I HN 0.222 nan 8.210 nan 0.000 0.413 642 F N -0.525 119.399 119.950 -0.044 0.000 2.556 642 F HA 0.548 5.071 4.527 -0.007 0.000 0.327 642 F C 0.845 176.622 175.800 -0.039 0.000 1.059 642 F CA -1.060 56.913 58.000 -0.044 0.000 0.953 642 F CB 1.417 40.385 39.000 -0.054 0.000 1.227 642 F HN -0.210 nan 8.300 nan 0.000 0.478 643 G N 0.537 109.449 108.800 0.185 0.000 2.477 643 G HA2 0.221 4.177 3.960 -0.007 0.000 0.304 643 G HA3 0.221 4.177 3.960 -0.007 0.000 0.304 643 G C 0.420 175.350 174.900 0.050 0.000 1.175 643 G CA -0.323 44.825 45.100 0.081 0.000 0.907 643 G HN 0.691 nan 8.290 nan 0.000 0.509 644 E N 0.121 120.337 120.200 0.025 0.000 2.504 644 E HA -0.300 4.046 4.350 -0.007 0.000 0.252 644 E C 0.962 177.560 176.600 -0.003 0.000 1.018 644 E CA 1.905 58.311 56.400 0.009 0.000 1.151 644 E CB 0.025 29.726 29.700 0.002 0.000 1.081 644 E HN 0.601 nan 8.360 nan 0.000 0.509 645 N N 0.930 119.622 118.700 -0.013 0.000 2.480 645 N HA -0.003 4.733 4.740 -0.007 0.000 0.281 645 N C -0.695 174.785 175.510 -0.050 0.000 1.381 645 N CA 0.019 53.049 53.050 -0.033 0.000 0.903 645 N CB 0.496 38.966 38.487 -0.028 0.000 1.274 645 N HN 0.175 nan 8.380 nan 0.000 0.505 646 E N 1.047 121.217 120.200 -0.050 0.000 2.392 646 E HA -0.065 4.281 4.350 -0.007 0.000 0.264 646 E C -0.507 175.997 176.600 -0.159 0.000 1.024 646 E CA -0.215 56.142 56.400 -0.072 0.000 0.903 646 E CB 0.740 30.428 29.700 -0.020 0.000 0.963 646 E HN 0.164 nan 8.360 nan 0.000 0.432 647 E N 2.925 123.036 120.200 -0.149 0.000 2.223 647 E HA 0.067 4.414 4.350 -0.007 0.000 0.282 647 E C -0.362 176.062 176.600 -0.294 0.000 1.046 647 E CA -0.331 55.955 56.400 -0.191 0.000 0.857 647 E CB 1.129 30.754 29.700 -0.125 0.000 1.055 647 E HN 0.317 nan 8.360 nan 0.000 0.409 648 V N 3.167 122.831 119.914 -0.416 0.000 2.955 648 V HA 0.536 4.652 4.120 -0.007 0.000 0.379 648 V C 1.105 176.987 176.094 -0.353 0.000 1.288 648 V CA 0.214 62.178 62.300 -0.560 0.000 1.358 648 V CB -0.391 30.841 31.823 -0.983 0.000 1.406 648 V HN 0.704 nan 8.190 nan 0.000 0.569 649 A N 2.932 125.608 122.820 -0.241 0.000 2.021 649 A HA -0.235 4.081 4.320 -0.007 0.000 0.206 649 A C 1.695 179.140 177.584 -0.232 0.000 1.210 649 A CA 2.245 54.169 52.037 -0.189 0.000 0.733 649 A CB -0.865 18.063 19.000 -0.121 0.000 0.839 649 A HN 0.848 nan 8.150 nan 0.000 0.495 650 D N -1.157 119.141 120.400 -0.171 0.000 2.352 650 D HA 0.113 4.749 4.640 -0.007 0.000 0.236 650 D C 1.051 177.231 176.300 -0.200 0.000 1.148 650 D CA 0.079 53.971 54.000 -0.180 0.000 0.844 650 D CB -0.222 40.591 40.800 0.020 0.000 0.933 650 D HN 0.498 nan 8.370 nan 0.000 0.507 651 R N -0.387 119.966 120.500 -0.244 0.000 2.397 651 R HA 0.450 4.786 4.340 -0.007 0.000 0.241 651 R C 0.004 176.211 176.300 -0.154 0.000 0.914 651 R CA 0.058 56.099 56.100 -0.097 0.000 1.071 651 R CB 1.084 31.402 30.300 0.030 0.000 1.116 651 R HN 0.151 nan 8.270 nan 0.000 0.524 652 A N 0.305 122.866 122.820 -0.431 0.000 2.398 652 A HA 0.648 4.964 4.320 -0.007 0.000 0.301 652 A C -1.628 175.617 177.584 -0.565 0.000 1.041 652 A CA -0.507 51.308 52.037 -0.370 0.000 0.711 652 A CB 0.862 19.756 19.000 -0.176 0.000 1.240 652 A HN 0.128 nan 8.150 nan 0.000 0.420 653 Y N 0.503 120.707 120.300 -0.161 0.000 2.477 653 Y HA 0.579 5.125 4.550 -0.007 0.000 0.347 653 Y C 1.097 177.030 175.900 0.054 0.000 0.981 653 Y CA -0.210 57.900 58.100 0.017 0.000 1.033 653 Y CB 2.407 40.984 38.460 0.196 0.000 1.245 653 Y HN 0.838 nan 8.280 nan 0.000 0.455 654 T N -2.100 112.584 114.554 0.217 0.000 2.810 654 T HA 0.371 4.717 4.350 -0.007 0.000 0.277 654 T C 1.362 176.135 174.700 0.121 0.000 0.973 654 T CA -0.073 62.107 62.100 0.133 0.000 0.949 654 T CB 1.083 70.008 68.868 0.094 0.000 1.075 654 T HN 0.786 nan 8.240 nan 0.000 0.537 655 G N 0.133 108.930 108.800 -0.006 0.000 2.433 655 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.216 655 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.216 655 G C 1.717 176.653 174.900 0.059 0.000 1.186 655 G CA 0.197 45.192 45.100 -0.175 0.000 0.779 655 G HN 0.609 nan 8.290 nan 0.000 0.543 656 R N 0.926 121.489 120.500 0.106 0.000 2.097 656 R HA -0.075 4.261 4.340 -0.007 0.000 0.236 656 R C 2.538 178.927 176.300 0.149 0.000 1.135 656 R CA 1.868 58.044 56.100 0.128 0.000 0.934 656 R CB -0.967 29.393 30.300 0.100 0.000 0.846 656 R HN 0.569 nan 8.270 nan 0.000 0.431 657 E N -0.836 119.468 120.200 0.173 0.000 2.065 657 E HA -0.248 4.098 4.350 -0.007 0.000 0.201 657 E C 1.945 178.682 176.600 0.228 0.000 1.016 657 E CA 1.771 58.301 56.400 0.218 0.000 0.818 657 E CB -0.417 29.466 29.700 0.304 0.000 0.749 657 E HN 0.302 nan 8.360 nan 0.000 0.453 658 F N 2.032 122.034 119.950 0.086 0.000 2.069 658 F HA -0.257 4.266 4.527 -0.007 0.000 0.298 658 F C 1.961 177.773 175.800 0.021 0.000 1.113 658 F CA 1.752 59.747 58.000 -0.008 0.000 1.214 658 F CB 0.009 38.995 39.000 -0.023 0.000 0.978 658 F HN -0.085 nan 8.300 nan 0.000 0.474 659 D N 0.316 120.829 120.400 0.188 0.000 2.182 659 D HA -0.177 4.459 4.640 -0.007 0.000 0.201 659 D C 1.795 178.100 176.300 0.009 0.000 0.986 659 D CA 1.411 55.478 54.000 0.112 0.000 0.847 659 D CB -0.522 40.414 40.800 0.228 0.000 0.942 659 D HN 0.337 nan 8.370 nan 0.000 0.467 660 D N -0.147 120.270 120.400 0.028 0.000 2.178 660 D HA -0.030 4.606 4.640 -0.007 0.000 0.202 660 D C 0.753 177.027 176.300 -0.043 0.000 0.974 660 D CA 0.190 54.195 54.000 0.010 0.000 0.841 660 D CB -0.000 40.825 40.800 0.042 0.000 0.953 660 D HN 0.233 nan 8.370 nan 0.000 0.478 661 L N 1.297 122.454 121.223 -0.109 0.000 2.483 661 L HA 0.116 4.452 4.340 -0.007 0.000 0.275 661 L C -1.986 174.780 176.870 -0.174 0.000 1.220 661 L CA -1.367 53.374 54.840 -0.165 0.000 0.833 661 L CB -0.061 41.820 42.059 -0.297 0.000 1.102 661 L HN -0.162 nan 8.230 nan 0.000 0.490 662 P HA 0.132 nan 4.420 nan 0.000 0.278 662 P C 0.467 177.675 177.300 -0.153 0.000 1.238 662 P CA -0.550 62.484 63.100 -0.111 0.000 0.794 662 P CB 0.776 32.432 31.700 -0.073 0.000 0.955 663 L N 2.310 123.467 121.223 -0.111 0.000 2.103 663 L HA -0.308 4.028 4.340 -0.007 0.000 0.215 663 L C 2.407 179.190 176.870 -0.145 0.000 1.080 663 L CA 2.699 57.482 54.840 -0.095 0.000 0.764 663 L CB -1.464 40.594 42.059 -0.002 0.000 0.890 663 L HN 0.456 nan 8.230 nan 0.000 0.435 664 A N -0.825 121.930 122.820 -0.109 0.000 1.902 664 A HA -0.207 4.109 4.320 -0.007 0.000 0.217 664 A C 2.226 179.725 177.584 -0.142 0.000 1.181 664 A CA 1.767 53.743 52.037 -0.101 0.000 0.623 664 A CB -0.423 18.543 19.000 -0.057 0.000 0.818 664 A HN 0.556 nan 8.150 nan 0.000 0.443 665 E N -0.493 119.613 120.200 -0.156 0.000 2.216 665 E HA -0.140 4.206 4.350 -0.007 0.000 0.192 665 E C 2.157 178.599 176.600 -0.264 0.000 0.988 665 E CA 0.725 57.030 56.400 -0.158 0.000 0.834 665 E CB -0.164 29.462 29.700 -0.124 0.000 0.772 665 E HN 0.727 nan 8.360 nan 0.000 0.479 666 Q N 0.878 120.428 119.800 -0.416 0.000 2.020 666 Q HA -0.163 4.173 4.340 -0.007 0.000 0.202 666 Q C 2.316 177.951 176.000 -0.608 0.000 0.982 666 Q CA 1.210 56.626 55.803 -0.646 0.000 0.838 666 Q CB -0.203 28.042 28.738 -0.822 0.000 0.899 666 Q HN 0.123 nan 8.270 nan 0.000 0.423 667 R N 0.749 120.688 120.500 -0.935 0.000 2.103 667 R HA -0.233 4.103 4.340 -0.007 0.000 0.242 667 R C 2.057 178.251 176.300 -0.177 0.000 1.142 667 R CA 1.717 57.297 56.100 -0.866 0.000 0.960 667 R CB -0.033 29.903 30.300 -0.606 0.000 0.858 667 R HN 0.107 nan 8.270 nan 0.000 0.439 668 E N 0.391 120.531 120.200 -0.100 0.000 2.077 668 E HA -0.124 4.222 4.350 -0.007 0.000 0.193 668 E C 1.690 178.331 176.600 0.069 0.000 0.989 668 E CA 1.784 58.208 56.400 0.040 0.000 0.800 668 E CB -0.292 29.411 29.700 0.004 0.000 0.746 668 E HN 0.450 nan 8.360 nan 0.000 0.452 669 A N -0.305 122.531 122.820 0.027 0.000 1.972 669 A HA -0.185 4.131 4.320 -0.007 0.000 0.219 669 A C 2.460 180.224 177.584 0.300 0.000 1.169 669 A CA 1.450 53.560 52.037 0.121 0.000 0.635 669 A CB -0.900 18.043 19.000 -0.095 0.000 0.810 669 A HN 0.484 nan 8.150 nan 0.000 0.446 670 C N -1.225 118.242 119.300 0.277 0.000 2.437 670 C HA 0.041 4.497 4.460 -0.007 0.000 0.283 670 C C 2.636 177.797 174.990 0.285 0.000 1.424 670 C CA 1.006 60.226 59.018 0.336 0.000 1.782 670 C CB -1.476 26.407 27.740 0.238 0.000 1.833 670 C HN 0.742 nan 8.230 nan 0.000 0.532 671 R N 1.534 122.163 120.500 0.216 0.000 2.100 671 R HA -0.050 4.286 4.340 -0.007 0.000 0.220 671 R C 2.426 178.776 176.300 0.083 0.000 1.091 671 R CA 1.250 57.402 56.100 0.088 0.000 0.986 671 R CB -0.180 30.083 30.300 -0.061 0.000 0.888 671 R HN 0.649 nan 8.270 nan 0.000 0.444 672 R N -0.221 120.356 120.500 0.128 0.000 2.146 672 R HA 0.301 4.637 4.340 -0.007 0.000 0.206 672 R C 0.340 176.727 176.300 0.146 0.000 1.049 672 R CA 0.542 56.712 56.100 0.116 0.000 1.029 672 R CB -0.053 30.316 30.300 0.115 0.000 0.949 672 R HN 0.098 nan 8.270 nan 0.000 0.471 673 A N 0.674 123.623 122.820 0.215 0.000 2.332 673 A HA 0.364 4.680 4.320 -0.007 0.000 0.258 673 A C 0.510 178.117 177.584 0.038 0.000 1.087 673 A CA -0.207 51.911 52.037 0.135 0.000 0.802 673 A CB 0.547 19.654 19.000 0.178 0.000 1.042 673 A HN 0.670 nan 8.150 nan 0.000 0.489 674 C N -1.406 117.828 119.300 -0.110 0.000 3.722 674 C HA 0.518 4.974 4.460 -0.007 0.000 0.279 674 C C 0.101 174.936 174.990 -0.258 0.000 1.819 674 C CA -0.739 58.193 59.018 -0.143 0.000 1.744 674 C CB -1.521 26.099 27.740 -0.200 0.000 3.247 674 C HN 0.840 nan 8.230 nan 0.000 0.549 675 C N 2.060 121.125 119.300 -0.391 0.000 2.522 675 C HA 0.765 5.221 4.460 -0.007 0.000 0.344 675 C C -1.518 173.173 174.990 -0.497 0.000 1.104 675 C CA -0.288 58.568 59.018 -0.270 0.000 1.317 675 C CB -0.541 27.202 27.740 0.005 0.000 1.896 675 C HN 0.501 nan 8.230 nan 0.000 0.443 676 F N 4.789 124.757 119.950 0.030 0.000 2.449 676 F HA 0.723 5.246 4.527 -0.007 0.000 0.342 676 F C 0.529 176.314 175.800 -0.025 0.000 1.127 676 F CA -0.196 57.799 58.000 -0.009 0.000 0.975 676 F CB 1.614 40.546 39.000 -0.114 0.000 1.146 676 F HN 0.780 nan 8.300 nan 0.000 0.444 677 A N 2.601 125.493 122.820 0.120 0.000 2.384 677 A HA 0.817 5.133 4.320 -0.007 0.000 0.312 677 A C 0.490 178.104 177.584 0.049 0.000 1.113 677 A CA -0.860 51.217 52.037 0.067 0.000 0.779 677 A CB 1.239 20.265 19.000 0.044 0.000 1.307 677 A HN 0.785 nan 8.150 nan 0.000 0.436 678 R N -1.264 119.259 120.500 0.039 0.000 3.651 678 R HA -0.145 4.191 4.340 -0.007 0.000 0.292 678 R C -0.041 176.276 176.300 0.029 0.000 1.161 678 R CA 0.980 57.101 56.100 0.036 0.000 0.787 678 R CB -2.560 27.765 30.300 0.041 0.000 1.249 678 R HN 1.450 nan 8.270 nan 0.000 0.476 679 V N -2.335 117.595 119.914 0.027 0.000 2.716 679 V HA 0.520 4.636 4.120 -0.007 0.000 0.304 679 V C 0.918 177.138 176.094 0.210 0.000 1.053 679 V CA -0.802 61.533 62.300 0.059 0.000 0.984 679 V CB 2.242 34.042 31.823 -0.039 0.000 1.021 679 V HN 0.101 nan 8.190 nan 0.000 0.467 680 E N 3.342 123.835 120.200 0.488 0.000 2.345 680 E HA 0.275 4.621 4.350 -0.007 0.000 0.259 680 E C -1.817 174.807 176.600 0.041 0.000 1.117 680 E CA -1.676 54.807 56.400 0.139 0.000 0.913 680 E CB 1.356 31.046 29.700 -0.016 0.000 1.057 680 E HN 0.563 nan 8.360 nan 0.000 0.432 681 P HA -0.148 nan 4.420 nan 0.000 0.218 681 P C 1.400 178.659 177.300 -0.067 0.000 1.148 681 P CA 1.148 64.221 63.100 -0.044 0.000 0.822 681 P CB 0.200 31.864 31.700 -0.060 0.000 0.784 682 S N -1.503 114.124 115.700 -0.122 0.000 2.356 682 S HA -0.215 4.251 4.470 -0.007 0.000 0.223 682 S C 1.720 176.232 174.600 -0.147 0.000 1.032 682 S CA 1.333 59.437 58.200 -0.161 0.000 1.005 682 S CB -0.961 62.104 63.200 -0.225 0.000 0.867 682 S HN 0.283 nan 8.310 nan 0.000 0.449 683 H N 1.124 120.156 119.070 -0.063 0.000 2.319 683 H HA -0.058 4.494 4.556 -0.007 0.000 0.297 683 H C 2.321 177.537 175.328 -0.188 0.000 1.097 683 H CA 1.884 57.860 56.048 -0.120 0.000 1.285 683 H CB -0.039 29.632 29.762 -0.151 0.000 1.368 683 H HN 0.328 nan 8.280 nan 0.000 0.495 684 K N 0.022 120.415 120.400 -0.012 0.000 2.089 684 K HA -0.197 4.119 4.320 -0.007 0.000 0.210 684 K C 2.528 179.075 176.600 -0.089 0.000 1.048 684 K CA 1.504 57.750 56.287 -0.068 0.000 0.926 684 K CB -0.294 32.184 32.500 -0.037 0.000 0.714 684 K HN 0.140 nan 8.250 nan 0.000 0.448 685 S N 1.005 116.656 115.700 -0.080 0.000 2.357 685 S HA -0.136 4.330 4.470 -0.007 0.000 0.221 685 S C 2.000 176.528 174.600 -0.120 0.000 1.031 685 S CA 1.192 59.337 58.200 -0.091 0.000 0.982 685 S CB -0.041 63.107 63.200 -0.087 0.000 0.853 685 S HN 0.228 nan 8.310 nan 0.000 0.458 686 K N 0.511 120.835 120.400 -0.127 0.000 2.113 686 K HA -0.101 4.215 4.320 -0.007 0.000 0.208 686 K C 1.982 178.461 176.600 -0.202 0.000 1.047 686 K CA 1.754 57.927 56.287 -0.190 0.000 0.928 686 K CB -0.327 32.135 32.500 -0.064 0.000 0.716 686 K HN 0.480 nan 8.250 nan 0.000 0.446 687 I N 0.365 120.866 120.570 -0.115 0.000 2.252 687 I HA -0.255 3.911 4.170 -0.007 0.000 0.245 687 I C 2.212 178.314 176.117 -0.026 0.000 1.102 687 I CA 0.818 62.065 61.300 -0.088 0.000 1.385 687 I CB -0.268 37.485 38.000 -0.411 0.000 1.064 687 I HN -0.013 nan 8.210 nan 0.000 0.414 688 V N 0.859 120.733 119.914 -0.067 0.000 2.261 688 V HA -0.315 3.801 4.120 -0.007 0.000 0.246 688 V C 2.519 178.595 176.094 -0.031 0.000 1.047 688 V CA 2.162 64.442 62.300 -0.032 0.000 1.015 688 V CB -0.693 31.102 31.823 -0.046 0.000 0.642 688 V HN 0.474 nan 8.190 nan 0.000 0.446 689 E N -0.756 119.385 120.200 -0.098 0.000 2.086 689 E HA -0.295 4.051 4.350 -0.007 0.000 0.200 689 E C 2.146 178.682 176.600 -0.107 0.000 1.012 689 E CA 2.229 58.543 56.400 -0.143 0.000 0.812 689 E CB -0.320 29.227 29.700 -0.254 0.000 0.743 689 E HN 0.760 nan 8.360 nan 0.000 0.453 690 Y N -0.046 120.229 120.300 -0.041 0.000 2.224 690 Y HA -0.185 4.361 4.550 -0.007 0.000 0.289 690 Y C 2.252 178.122 175.900 -0.050 0.000 1.146 690 Y CA 0.636 58.700 58.100 -0.060 0.000 1.182 690 Y CB 0.106 38.571 38.460 0.009 0.000 0.983 690 Y HN 0.097 nan 8.280 nan 0.000 0.524 691 L N -0.625 120.712 121.223 0.191 0.000 2.179 691 L HA -0.189 4.147 4.340 -0.007 0.000 0.208 691 L C 2.102 179.062 176.870 0.150 0.000 1.096 691 L CA 1.069 56.042 54.840 0.221 0.000 0.779 691 L CB -0.407 41.749 42.059 0.161 0.000 0.922 691 L HN 0.220 nan 8.230 nan 0.000 0.443 692 Q N -0.456 119.382 119.800 0.064 0.000 2.369 692 Q HA -0.113 4.223 4.340 -0.007 0.000 0.206 692 Q C 2.163 178.168 176.000 0.009 0.000 0.963 692 Q CA 1.359 57.181 55.803 0.032 0.000 0.894 692 Q CB -0.008 28.729 28.738 -0.001 0.000 0.965 692 Q HN 0.542 nan 8.270 nan 0.000 0.475 693 S N -1.041 114.634 115.700 -0.042 0.000 2.603 693 S HA -0.032 4.434 4.470 -0.007 0.000 0.220 693 S C 0.675 175.158 174.600 -0.196 0.000 0.967 693 S CA -0.013 58.113 58.200 -0.124 0.000 0.920 693 S CB -0.042 63.063 63.200 -0.157 0.000 0.773 693 S HN 0.374 nan 8.310 nan 0.000 0.529 694 Y N 1.980 122.312 120.300 0.054 0.000 2.756 694 Y HA 0.257 4.803 4.550 -0.007 0.000 0.300 694 Y C -0.070 175.845 175.900 0.026 0.000 1.113 694 Y CA -0.792 57.332 58.100 0.039 0.000 1.291 694 Y CB -0.048 38.436 38.460 0.041 0.000 1.175 694 Y HN 0.157 nan 8.280 nan 0.000 0.534 695 D N 0.346 120.820 120.400 0.122 0.000 2.860 695 D HA -0.231 4.405 4.640 -0.007 0.000 0.229 695 D C -0.348 175.998 176.300 0.077 0.000 1.169 695 D CA 0.964 55.011 54.000 0.078 0.000 0.737 695 D CB -0.875 39.966 40.800 0.069 0.000 1.080 695 D HN 0.552 nan 8.370 nan 0.000 0.424 696 E N -0.162 120.098 120.200 0.100 0.000 2.197 696 E HA 0.410 4.756 4.350 -0.007 0.000 0.281 696 E C 0.686 177.314 176.600 0.046 0.000 0.995 696 E CA -0.659 55.789 56.400 0.079 0.000 0.808 696 E CB 1.369 31.141 29.700 0.118 0.000 1.093 696 E HN 0.216 nan 8.360 nan 0.000 0.394 697 I N 2.942 123.525 120.570 0.021 0.000 2.308 697 I HA 0.034 4.200 4.170 -0.007 0.000 0.293 697 I C 0.674 176.793 176.117 0.004 0.000 1.078 697 I CA 0.124 61.426 61.300 0.004 0.000 1.292 697 I CB 0.732 38.722 38.000 -0.016 0.000 1.423 697 I HN 0.316 nan 8.210 nan 0.000 0.493 698 T N 4.834 119.391 114.554 0.006 0.000 2.888 698 T HA 0.795 5.141 4.350 -0.007 0.000 0.284 698 T C -0.316 174.379 174.700 -0.008 0.000 1.017 698 T CA -0.556 61.548 62.100 0.007 0.000 1.022 698 T CB 1.592 70.473 68.868 0.022 0.000 1.013 698 T HN 0.579 nan 8.240 nan 0.000 0.465 699 A N 3.661 126.475 122.820 -0.011 0.000 2.281 699 A HA 0.884 5.200 4.320 -0.007 0.000 0.329 699 A C -0.425 177.149 177.584 -0.017 0.000 1.122 699 A CA -0.980 51.043 52.037 -0.023 0.000 0.850 699 A CB 1.273 20.251 19.000 -0.038 0.000 1.207 699 A HN 0.922 nan 8.150 nan 0.000 0.495 700 M N 0.574 120.159 119.600 -0.026 0.000 2.457 700 M HA 0.598 5.074 4.480 -0.007 0.000 0.300 700 M C -1.177 175.106 176.300 -0.028 0.000 1.141 700 M CA 0.136 55.425 55.300 -0.018 0.000 0.901 700 M CB 2.249 34.837 32.600 -0.020 0.000 1.687 700 M HN 0.544 nan 8.290 nan 0.000 0.449 701 T N 3.158 117.707 114.554 -0.007 0.000 2.841 701 T HA 0.910 5.256 4.350 -0.007 0.000 0.285 701 T C -0.431 174.286 174.700 0.028 0.000 0.991 701 T CA -0.586 61.508 62.100 -0.010 0.000 0.966 701 T CB 1.429 70.292 68.868 -0.007 0.000 0.962 701 T HN 0.934 nan 8.240 nan 0.000 0.438 702 G N 1.042 109.851 108.800 0.015 0.000 2.600 702 G HA2 0.583 4.539 3.960 -0.007 0.000 0.293 702 G HA3 0.583 4.539 3.960 -0.007 0.000 0.293 702 G C -0.632 174.277 174.900 0.015 0.000 1.408 702 G CA -0.569 44.545 45.100 0.022 0.000 0.782 702 G HN 0.576 nan 8.290 nan 0.000 0.482 703 D N -1.620 118.789 120.400 0.014 0.000 2.212 703 D HA 0.179 4.815 4.640 -0.007 0.000 0.311 703 D C 1.056 177.358 176.300 0.004 0.000 1.091 703 D CA 0.720 54.726 54.000 0.010 0.000 0.910 703 D CB 0.440 41.251 40.800 0.018 0.000 1.707 703 D HN 0.780 nan 8.370 nan 0.000 0.522 704 G N 1.259 110.060 108.800 0.002 0.000 2.511 704 G HA2 0.390 4.346 3.960 -0.007 0.000 0.316 704 G HA3 0.390 4.346 3.960 -0.007 0.000 0.316 704 G C 1.069 175.963 174.900 -0.011 0.000 1.210 704 G CA 0.042 45.141 45.100 -0.002 0.000 0.969 704 G HN 0.205 nan 8.290 nan 0.000 0.492 705 V N -0.274 119.631 119.914 -0.015 0.000 3.078 705 V HA -0.089 4.027 4.120 -0.007 0.000 0.265 705 V C 1.864 177.940 176.094 -0.030 0.000 1.122 705 V CA 1.906 64.193 62.300 -0.022 0.000 1.141 705 V CB -0.766 31.044 31.823 -0.022 0.000 0.735 705 V HN 0.701 nan 8.190 nan 0.000 0.498 706 N N 0.050 118.731 118.700 -0.031 0.000 2.463 706 N HA -0.096 4.640 4.740 -0.007 0.000 0.181 706 N C 1.022 176.516 175.510 -0.027 0.000 1.078 706 N CA 1.302 54.331 53.050 -0.035 0.000 0.902 706 N CB -0.444 38.022 38.487 -0.036 0.000 0.970 706 N HN 0.536 nan 8.380 nan 0.000 0.451 707 D N 0.680 121.068 120.400 -0.020 0.000 2.348 707 D HA 0.179 4.815 4.640 -0.007 0.000 0.211 707 D C 1.784 178.070 176.300 -0.025 0.000 0.998 707 D CA 0.455 54.445 54.000 -0.018 0.000 0.873 707 D CB 0.111 40.906 40.800 -0.009 0.000 0.925 707 D HN 0.331 nan 8.370 nan 0.000 0.524 708 A N 2.158 124.962 122.820 -0.027 0.000 1.859 708 A HA -0.159 4.157 4.320 -0.007 0.000 0.217 708 A C -0.177 177.387 177.584 -0.034 0.000 1.198 708 A CA 1.573 53.592 52.037 -0.029 0.000 0.629 708 A CB -1.577 17.405 19.000 -0.028 0.000 0.830 708 A HN 0.166 nan 8.150 nan 0.000 0.446 709 P HA -0.125 nan 4.420 nan 0.000 0.215 709 P C 1.766 179.038 177.300 -0.046 0.000 1.157 709 P CA 2.073 65.147 63.100 -0.044 0.000 0.868 709 P CB -0.197 31.473 31.700 -0.051 0.000 0.788 710 A N -0.917 121.876 122.820 -0.045 0.000 1.978 710 A HA -0.176 4.140 4.320 -0.007 0.000 0.220 710 A C 2.203 179.765 177.584 -0.037 0.000 1.170 710 A CA 1.468 53.478 52.037 -0.045 0.000 0.636 710 A CB -1.695 17.280 19.000 -0.042 0.000 0.810 710 A HN 0.129 nan 8.150 nan 0.000 0.448 711 L N -1.248 119.955 121.223 -0.033 0.000 2.109 711 L HA -0.123 4.213 4.340 -0.007 0.000 0.207 711 L C 2.529 179.379 176.870 -0.034 0.000 1.086 711 L CA 1.690 56.511 54.840 -0.032 0.000 0.760 711 L CB -0.230 41.811 42.059 -0.030 0.000 0.910 711 L HN 0.350 nan 8.230 nan 0.000 0.437 712 K N 0.346 120.725 120.400 -0.035 0.000 2.217 712 K HA -0.193 4.123 4.320 -0.007 0.000 0.202 712 K C 2.057 178.636 176.600 -0.036 0.000 1.051 712 K CA 1.181 57.447 56.287 -0.035 0.000 0.952 712 K CB 0.117 32.596 32.500 -0.035 0.000 0.736 712 K HN -0.110 nan 8.250 nan 0.000 0.453 713 K N 0.448 120.824 120.400 -0.039 0.000 2.076 713 K HA 0.194 4.510 4.320 -0.007 0.000 0.204 713 K C 0.165 176.743 176.600 -0.036 0.000 1.051 713 K CA 0.783 57.045 56.287 -0.042 0.000 0.949 713 K CB -0.382 32.087 32.500 -0.052 0.000 0.726 713 K HN 0.221 nan 8.250 nan 0.000 0.443 714 A N 0.909 123.710 122.820 -0.033 0.000 2.492 714 A HA -0.010 4.306 4.320 -0.007 0.000 0.236 714 A C 0.789 178.358 177.584 -0.025 0.000 1.078 714 A CA 0.144 52.165 52.037 -0.027 0.000 0.773 714 A CB 0.046 19.030 19.000 -0.026 0.000 1.023 714 A HN 0.394 nan 8.150 nan 0.000 0.504 715 E N -0.753 119.434 120.200 -0.022 0.000 2.204 715 E HA -0.022 4.324 4.350 -0.007 0.000 0.194 715 E C -0.380 176.204 176.600 -0.025 0.000 0.989 715 E CA 1.226 57.614 56.400 -0.021 0.000 0.824 715 E CB -0.234 29.455 29.700 -0.018 0.000 0.756 715 E HN 0.584 nan 8.360 nan 0.000 0.477 716 I N -1.454 119.098 120.570 -0.030 0.000 2.607 716 I HA 0.423 4.589 4.170 -0.007 0.000 0.290 716 I C 0.053 176.146 176.117 -0.039 0.000 1.129 716 I CA -1.070 60.208 61.300 -0.036 0.000 1.042 716 I CB 2.189 40.164 38.000 -0.043 0.000 1.242 716 I HN -0.200 nan 8.210 nan 0.000 0.421 717 G N 6.406 115.181 108.800 -0.041 0.000 2.335 717 G HA2 0.710 4.666 3.960 -0.007 0.000 0.314 717 G HA3 0.710 4.666 3.960 -0.007 0.000 0.314 717 G C -0.432 174.437 174.900 -0.052 0.000 1.129 717 G CA -0.467 44.608 45.100 -0.042 0.000 0.912 717 G HN 0.481 nan 8.290 nan 0.000 0.443 718 I N 1.660 122.192 120.570 -0.063 0.000 2.359 718 I HA 0.595 4.761 4.170 -0.007 0.000 0.294 718 I C 0.309 176.388 176.117 -0.064 0.000 0.987 718 I CA -0.957 60.296 61.300 -0.080 0.000 1.225 718 I CB 1.277 39.200 38.000 -0.128 0.000 1.366 718 I HN 0.471 nan 8.210 nan 0.000 0.466 719 A N 7.516 130.303 122.820 -0.055 0.000 2.350 719 A HA 0.787 5.103 4.320 -0.007 0.000 0.324 719 A C -0.057 177.508 177.584 -0.032 0.000 1.118 719 A CA -0.755 51.261 52.037 -0.036 0.000 0.783 719 A CB 1.400 20.381 19.000 -0.031 0.000 1.236 719 A HN 0.642 nan 8.150 nan 0.000 0.457 720 M N 1.890 121.482 119.600 -0.013 0.000 2.243 720 M HA 0.183 4.659 4.480 -0.007 0.000 0.341 720 M C 1.582 177.877 176.300 -0.009 0.000 1.130 720 M CA 0.033 55.331 55.300 -0.003 0.000 1.162 720 M CB 0.212 32.825 32.600 0.021 0.000 1.497 720 M HN 0.899 nan 8.290 nan 0.000 0.456 721 G N 1.211 110.005 108.800 -0.011 0.000 2.432 721 G HA2 -0.154 3.802 3.960 -0.007 0.000 0.219 721 G HA3 -0.154 3.802 3.960 -0.007 0.000 0.219 721 G C 1.131 176.023 174.900 -0.014 0.000 1.135 721 G CA 1.040 46.131 45.100 -0.016 0.000 0.767 721 G HN 0.758 nan 8.290 nan 0.000 0.550 722 S N 0.133 115.829 115.700 -0.006 0.000 2.634 722 S HA 0.445 4.911 4.470 -0.007 0.000 0.221 722 S C 1.200 175.801 174.600 0.002 0.000 0.952 722 S CA 0.018 58.215 58.200 -0.004 0.000 0.930 722 S CB 0.419 63.620 63.200 0.002 0.000 0.780 722 S HN 0.458 nan 8.310 nan 0.000 0.498 723 G N 1.879 110.679 108.800 0.000 0.000 2.588 723 G HA2 0.445 4.401 3.960 -0.007 0.000 0.281 723 G HA3 0.445 4.401 3.960 -0.007 0.000 0.281 723 G C 0.240 175.141 174.900 0.001 0.000 1.236 723 G CA -0.147 44.954 45.100 0.003 0.000 0.969 723 G HN 0.449 nan 8.290 nan 0.000 0.504 724 T N -2.920 111.635 114.554 0.002 0.000 2.748 724 T HA 0.385 4.731 4.350 -0.007 0.000 0.304 724 T C 1.651 176.349 174.700 -0.004 0.000 1.041 724 T CA 0.492 62.593 62.100 0.002 0.000 1.033 724 T CB 1.147 70.015 68.868 0.001 0.000 0.995 724 T HN 0.909 nan 8.240 nan 0.000 0.536 725 A N 0.867 123.686 122.820 -0.003 0.000 2.014 725 A HA 0.136 4.452 4.320 -0.007 0.000 0.218 725 A C 2.353 179.929 177.584 -0.013 0.000 1.163 725 A CA 1.189 53.222 52.037 -0.008 0.000 0.652 725 A CB -0.976 18.023 19.000 -0.003 0.000 0.808 725 A HN 0.769 nan 8.150 nan 0.000 0.449 726 V N -0.068 119.839 119.914 -0.011 0.000 2.307 726 V HA -0.205 3.911 4.120 -0.007 0.000 0.245 726 V C 2.989 179.071 176.094 -0.019 0.000 1.045 726 V CA 1.762 64.053 62.300 -0.016 0.000 1.024 726 V CB -1.560 30.254 31.823 -0.015 0.000 0.651 726 V HN 0.536 nan 8.190 nan 0.000 0.449 727 A N 0.163 122.973 122.820 -0.017 0.000 1.948 727 A HA -0.281 4.035 4.320 -0.007 0.000 0.220 727 A C 2.314 179.883 177.584 -0.024 0.000 1.177 727 A CA 2.319 54.345 52.037 -0.019 0.000 0.636 727 A CB -0.505 18.487 19.000 -0.014 0.000 0.815 727 A HN 0.586 nan 8.150 nan 0.000 0.449 728 K N -0.820 119.566 120.400 -0.024 0.000 2.025 728 K HA -0.108 4.208 4.320 -0.007 0.000 0.207 728 K C 2.220 178.800 176.600 -0.033 0.000 1.049 728 K CA 1.791 58.061 56.287 -0.029 0.000 0.933 728 K CB -0.399 32.084 32.500 -0.029 0.000 0.714 728 K HN 0.695 nan 8.250 nan 0.000 0.438 729 T N -1.502 113.034 114.554 -0.031 0.000 3.072 729 T HA 0.065 4.411 4.350 -0.007 0.000 0.266 729 T C 1.752 176.431 174.700 -0.034 0.000 1.127 729 T CA 0.826 62.905 62.100 -0.034 0.000 1.107 729 T CB 0.055 68.904 68.868 -0.032 0.000 0.910 729 T HN 0.140 nan 8.240 nan 0.000 0.513 730 A N 0.679 123.480 122.820 -0.032 0.000 2.147 730 A HA 0.506 4.822 4.320 -0.007 0.000 0.211 730 A C 1.482 179.046 177.584 -0.034 0.000 1.160 730 A CA -0.234 51.784 52.037 -0.032 0.000 0.781 730 A CB 0.052 19.034 19.000 -0.030 0.000 0.842 730 A HN 0.477 nan 8.150 nan 0.000 0.475 731 S N -0.813 114.866 115.700 -0.035 0.000 2.672 731 S HA 0.369 4.835 4.470 -0.007 0.000 0.276 731 S C 0.713 175.289 174.600 -0.040 0.000 1.207 731 S CA -0.218 57.959 58.200 -0.038 0.000 1.002 731 S CB 1.556 64.732 63.200 -0.040 0.000 0.998 731 S HN 0.425 nan 8.310 nan 0.000 0.542 732 E N 0.041 120.217 120.200 -0.041 0.000 2.465 732 E HA 0.305 4.651 4.350 -0.007 0.000 0.209 732 E C 0.058 176.632 176.600 -0.044 0.000 0.951 732 E CA 0.201 56.577 56.400 -0.040 0.000 0.997 732 E CB 0.398 30.077 29.700 -0.036 0.000 1.025 732 E HN 0.583 nan 8.360 nan 0.000 0.500 733 M N 0.407 119.978 119.600 -0.049 0.000 2.602 733 M HA 0.517 4.993 4.480 -0.007 0.000 0.312 733 M C -1.634 174.632 176.300 -0.056 0.000 1.181 733 M CA -0.952 54.316 55.300 -0.054 0.000 0.910 733 M CB 2.084 34.646 32.600 -0.063 0.000 1.723 733 M HN -0.232 nan 8.290 nan 0.000 0.459 734 V N 5.264 125.145 119.914 -0.054 0.000 2.532 734 V HA 0.305 4.421 4.120 -0.007 0.000 0.294 734 V C -0.714 175.350 176.094 -0.050 0.000 1.036 734 V CA -0.643 61.627 62.300 -0.050 0.000 0.876 734 V CB 1.783 33.580 31.823 -0.044 0.000 1.012 734 V HN 0.783 nan 8.190 nan 0.000 0.432 735 L N 4.379 125.569 121.223 -0.054 0.000 2.462 735 L HA 0.288 4.624 4.340 -0.007 0.000 0.283 735 L C 1.855 178.708 176.870 -0.029 0.000 1.166 735 L CA 0.006 54.818 54.840 -0.047 0.000 0.964 735 L CB 0.441 42.465 42.059 -0.059 0.000 1.294 735 L HN 0.819 nan 8.230 nan 0.000 0.449 736 A N 2.648 125.451 122.820 -0.028 0.000 1.997 736 A HA -0.226 4.091 4.320 -0.007 0.000 0.221 736 A C 1.637 179.213 177.584 -0.014 0.000 1.172 736 A CA 2.091 54.115 52.037 -0.023 0.000 0.645 736 A CB -0.312 18.674 19.000 -0.024 0.000 0.813 736 A HN 0.866 nan 8.150 nan 0.000 0.454 737 D N -2.945 117.450 120.400 -0.008 0.000 2.440 737 D HA 0.136 4.772 4.640 -0.007 0.000 0.216 737 D C -0.309 175.998 176.300 0.013 0.000 1.150 737 D CA 0.484 54.485 54.000 0.002 0.000 0.832 737 D CB -0.230 40.572 40.800 0.005 0.000 0.992 737 D HN 0.258 nan 8.370 nan 0.000 0.502 738 D N 0.004 120.411 120.400 0.012 0.000 3.077 738 D HA -0.222 4.414 4.640 -0.007 0.000 0.217 738 D C -0.164 176.175 176.300 0.065 0.000 1.162 738 D CA 0.655 54.676 54.000 0.036 0.000 0.943 738 D CB -1.882 38.941 40.800 0.039 0.000 1.122 738 D HN 0.378 nan 8.370 nan 0.000 0.413 739 N N 0.330 119.055 118.700 0.042 0.000 2.406 739 N HA 0.015 4.751 4.740 -0.007 0.000 0.269 739 N C 0.611 176.169 175.510 0.081 0.000 1.210 739 N CA -0.025 53.063 53.050 0.063 0.000 0.966 739 N CB -0.456 38.050 38.487 0.033 0.000 1.293 739 N HN 0.078 nan 8.380 nan 0.000 0.491 740 F N 2.300 122.239 119.950 -0.019 0.000 2.449 740 F HA -0.131 4.392 4.527 -0.006 0.000 0.299 740 F C 1.931 177.720 175.800 -0.019 0.000 1.092 740 F CA 0.950 58.939 58.000 -0.020 0.000 1.446 740 F CB 0.355 39.341 39.000 -0.023 0.000 1.084 740 F HN 0.459 nan 8.300 nan 0.000 0.567 741 S N -1.496 114.284 115.700 0.133 0.000 2.501 741 S HA -0.087 4.379 4.470 -0.007 0.000 0.220 741 S C 1.911 176.514 174.600 0.005 0.000 0.997 741 S CA 0.990 59.235 58.200 0.076 0.000 0.919 741 S CB -0.189 63.050 63.200 0.066 0.000 0.778 741 S HN 0.341 nan 8.310 nan 0.000 0.523 742 T N 3.269 117.809 114.554 -0.023 0.000 2.759 742 T HA -0.043 4.303 4.350 -0.007 0.000 0.269 742 T C 1.680 176.332 174.700 -0.079 0.000 1.042 742 T CA 0.942 63.014 62.100 -0.047 0.000 1.140 742 T CB -0.292 68.543 68.868 -0.055 0.000 0.864 742 T HN 0.300 nan 8.240 nan 0.000 0.455 743 I N 0.690 121.174 120.570 -0.143 0.000 2.208 743 I HA -0.120 4.046 4.170 -0.007 0.000 0.245 743 I C 2.501 178.561 176.117 -0.096 0.000 1.097 743 I CA 1.199 62.393 61.300 -0.178 0.000 1.363 743 I CB -1.018 36.770 38.000 -0.353 0.000 1.051 743 I HN 0.136 nan 8.210 nan 0.000 0.413 744 V N 0.786 120.669 119.914 -0.052 0.000 2.970 744 V HA -0.111 4.005 4.120 -0.007 0.000 0.260 744 V C 2.385 178.468 176.094 -0.018 0.000 1.100 744 V CA 1.543 63.833 62.300 -0.016 0.000 1.122 744 V CB -0.073 31.761 31.823 0.018 0.000 0.721 744 V HN 0.443 nan 8.190 nan 0.000 0.483 745 A N -0.780 122.025 122.820 -0.025 0.000 1.956 745 A HA 0.312 4.628 4.320 -0.007 0.000 0.212 745 A C 2.262 179.831 177.584 -0.025 0.000 1.188 745 A CA 1.047 53.073 52.037 -0.020 0.000 0.675 745 A CB -0.476 18.514 19.000 -0.017 0.000 0.845 745 A HN 0.569 nan 8.150 nan 0.000 0.455 746 A N -0.434 122.363 122.820 -0.038 0.000 2.121 746 A HA 0.157 4.473 4.320 -0.007 0.000 0.218 746 A C 2.032 179.596 177.584 -0.033 0.000 1.154 746 A CA 1.564 53.578 52.037 -0.038 0.000 0.679 746 A CB -0.466 18.501 19.000 -0.055 0.000 0.795 746 A HN 0.289 nan 8.150 nan 0.000 0.458 747 V N 0.359 120.252 119.914 -0.035 0.000 2.283 747 V HA -0.203 3.914 4.120 -0.007 0.000 0.239 747 V C 2.555 178.637 176.094 -0.019 0.000 1.035 747 V CA 1.913 64.194 62.300 -0.031 0.000 1.018 747 V CB -0.638 31.165 31.823 -0.033 0.000 0.658 747 V HN 0.888 nan 8.190 nan 0.000 0.459 748 E N 0.652 120.843 120.200 -0.014 0.000 2.209 748 E HA -0.329 4.017 4.350 -0.007 0.000 0.196 748 E C 1.928 178.529 176.600 0.001 0.000 0.993 748 E CA 1.815 58.211 56.400 -0.006 0.000 0.819 748 E CB -0.259 29.438 29.700 -0.004 0.000 0.745 748 E HN 0.636 nan 8.360 nan 0.000 0.477 749 E N 1.141 121.340 120.200 -0.002 0.000 2.033 749 E HA -0.156 4.190 4.350 -0.007 0.000 0.199 749 E C 2.059 178.668 176.600 0.014 0.000 1.011 749 E CA 2.111 58.514 56.400 0.005 0.000 0.815 749 E CB -0.911 28.788 29.700 -0.002 0.000 0.755 749 E HN 0.375 nan 8.360 nan 0.000 0.451 750 G N -0.685 108.119 108.800 0.007 0.000 2.708 750 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.210 750 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.210 750 G C 1.478 176.392 174.900 0.024 0.000 1.141 750 G CA 0.478 45.587 45.100 0.015 0.000 0.788 750 G HN 0.152 nan 8.290 nan 0.000 0.531 751 R N -0.229 120.282 120.500 0.018 0.000 2.128 751 R HA 0.243 4.579 4.340 -0.007 0.000 0.211 751 R C 2.940 179.280 176.300 0.066 0.000 1.067 751 R CA 0.758 56.876 56.100 0.029 0.000 1.010 751 R CB -0.084 30.220 30.300 0.006 0.000 0.922 751 R HN 0.276 nan 8.270 nan 0.000 0.457 752 A N 1.574 124.422 122.820 0.047 0.000 1.898 752 A HA -0.118 4.198 4.320 -0.007 0.000 0.216 752 A C 1.982 179.599 177.584 0.054 0.000 1.181 752 A CA 1.053 53.117 52.037 0.046 0.000 0.620 752 A CB -0.300 18.721 19.000 0.034 0.000 0.819 752 A HN 0.059 nan 8.150 nan 0.000 0.442 753 I N -1.508 119.099 120.570 0.062 0.000 2.208 753 I HA -0.236 3.930 4.170 -0.007 0.000 0.245 753 I C 2.360 178.512 176.117 0.059 0.000 1.097 753 I CA 1.500 62.839 61.300 0.064 0.000 1.363 753 I CB -1.600 36.440 38.000 0.067 0.000 1.051 753 I HN 0.521 nan 8.210 nan 0.000 0.413 754 Y N 2.434 122.704 120.300 -0.050 0.000 2.145 754 Y HA -0.257 4.290 4.550 -0.006 0.000 0.286 754 Y C 2.490 178.321 175.900 -0.114 0.000 1.145 754 Y CA 1.871 59.921 58.100 -0.083 0.000 1.148 754 Y CB -0.331 38.093 38.460 -0.060 0.000 0.981 754 Y HN 0.208 nan 8.280 nan 0.000 0.507 755 N N 0.507 119.242 118.700 0.057 0.000 2.104 755 N HA -0.190 4.546 4.740 -0.007 0.000 0.190 755 N C 1.386 176.813 175.510 -0.138 0.000 1.024 755 N CA 1.532 54.560 53.050 -0.036 0.000 0.853 755 N CB -0.617 37.888 38.487 0.030 0.000 1.008 755 N HN 0.393 nan 8.380 nan 0.000 0.424 756 N N 0.647 119.287 118.700 -0.100 0.000 2.084 756 N HA -0.054 4.682 4.740 -0.007 0.000 0.190 756 N C 1.759 177.049 175.510 -0.367 0.000 1.030 756 N CA 0.832 53.830 53.050 -0.086 0.000 0.849 756 N CB -0.273 38.240 38.487 0.044 0.000 1.012 756 N HN 0.292 nan 8.380 nan 0.000 0.423 757 M N 0.957 120.205 119.600 -0.587 0.000 2.286 757 M HA -0.209 4.267 4.480 -0.007 0.000 0.262 757 M C 2.110 177.724 176.300 -1.143 0.000 1.071 757 M CA 1.570 56.073 55.300 -1.329 0.000 1.091 757 M CB -0.535 31.628 32.600 -0.729 0.000 1.260 757 M HN 0.087 nan 8.290 nan 0.000 0.442 758 K N -0.152 119.781 120.400 -0.778 0.000 2.184 758 K HA -0.280 4.036 4.320 -0.007 0.000 0.210 758 K C 2.044 178.398 176.600 -0.410 0.000 1.048 758 K CA 1.720 57.659 56.287 -0.581 0.000 0.931 758 K CB -0.014 32.188 32.500 -0.496 0.000 0.718 758 K HN 0.355 nan 8.250 nan 0.000 0.465 759 Q N -0.478 119.097 119.800 -0.375 0.000 2.062 759 Q HA -0.100 4.237 4.340 -0.007 0.000 0.196 759 Q C 1.919 177.847 176.000 -0.121 0.000 0.967 759 Q CA 1.381 57.071 55.803 -0.189 0.000 0.832 759 Q CB -0.141 28.532 28.738 -0.109 0.000 0.899 759 Q HN 0.526 nan 8.270 nan 0.000 0.442 760 F N -1.547 118.342 119.950 -0.102 0.000 2.811 760 F HA 0.234 4.757 4.527 -0.007 0.000 0.301 760 F C 1.523 177.292 175.800 -0.050 0.000 1.151 760 F CA -0.040 57.928 58.000 -0.053 0.000 1.412 760 F CB -0.590 38.356 39.000 -0.091 0.000 1.113 760 F HN -0.092 nan 8.300 nan 0.000 0.579 761 I N 0.269 120.683 120.570 -0.260 0.000 2.585 761 I HA -0.054 4.112 4.170 -0.007 0.000 0.254 761 I C 2.419 178.428 176.117 -0.179 0.000 1.129 761 I CA 0.465 61.629 61.300 -0.227 0.000 1.455 761 I CB -0.351 37.339 38.000 -0.515 0.000 1.111 761 I HN 0.040 nan 8.210 nan 0.000 0.433 762 R N -0.050 120.360 120.500 -0.149 0.000 2.120 762 R HA -0.200 4.136 4.340 -0.007 0.000 0.234 762 R C 2.260 178.509 176.300 -0.085 0.000 1.123 762 R CA 1.538 57.568 56.100 -0.117 0.000 0.975 762 R CB -0.382 29.927 30.300 0.015 0.000 0.866 762 R HN 0.380 nan 8.270 nan 0.000 0.446 763 Y N 1.105 121.345 120.300 -0.100 0.000 2.176 763 Y HA -0.038 4.508 4.550 -0.006 0.000 0.291 763 Y C 1.999 177.856 175.900 -0.071 0.000 1.122 763 Y CA 1.102 59.166 58.100 -0.060 0.000 1.128 763 Y CB -0.280 38.175 38.460 -0.009 0.000 1.005 763 Y HN -0.120 nan 8.280 nan 0.000 0.509 764 L N -0.363 120.819 121.223 -0.068 0.000 2.131 764 L HA -0.172 4.164 4.340 -0.007 0.000 0.210 764 L C 2.277 179.027 176.870 -0.199 0.000 1.092 764 L CA 1.255 55.998 54.840 -0.162 0.000 0.759 764 L CB -0.423 41.651 42.059 0.025 0.000 0.903 764 L HN 0.359 nan 8.230 nan 0.000 0.435 765 I N -0.555 119.881 120.570 -0.223 0.000 2.406 765 I HA -0.203 3.964 4.170 -0.007 0.000 0.249 765 I C 2.664 178.595 176.117 -0.310 0.000 1.122 765 I CA 1.346 62.490 61.300 -0.259 0.000 1.431 765 I CB -0.064 37.727 38.000 -0.350 0.000 1.087 765 I HN 0.217 nan 8.210 nan 0.000 0.424 766 S N -0.995 114.482 115.700 -0.371 0.000 2.419 766 S HA -0.197 4.269 4.470 -0.007 0.000 0.233 766 S C 2.199 176.705 174.600 -0.158 0.000 1.016 766 S CA 1.410 59.490 58.200 -0.201 0.000 0.974 766 S CB -1.049 62.074 63.200 -0.128 0.000 0.786 766 S HN 0.552 nan 8.310 nan 0.000 0.492 767 S N 3.103 118.669 115.700 -0.223 0.000 2.344 767 S HA -0.185 4.281 4.470 -0.007 0.000 0.217 767 S C 1.704 176.241 174.600 -0.106 0.000 1.033 767 S CA 1.797 59.885 58.200 -0.186 0.000 1.017 767 S CB -1.051 62.004 63.200 -0.242 0.000 0.941 767 S HN 0.689 nan 8.310 nan 0.000 0.430 768 N N 0.572 119.216 118.700 -0.094 0.000 2.364 768 N HA -0.027 4.709 4.740 -0.007 0.000 0.183 768 N C 1.475 176.966 175.510 -0.030 0.000 1.022 768 N CA 1.062 54.084 53.050 -0.048 0.000 0.883 768 N CB -0.306 38.161 38.487 -0.034 0.000 0.965 768 N HN 0.276 nan 8.380 nan 0.000 0.438 769 V N -0.240 119.651 119.914 -0.038 0.000 2.488 769 V HA -0.015 4.101 4.120 -0.007 0.000 0.246 769 V C 2.266 178.346 176.094 -0.023 0.000 1.046 769 V CA 1.832 64.123 62.300 -0.015 0.000 1.053 769 V CB -0.938 30.893 31.823 0.014 0.000 0.679 769 V HN 0.392 nan 8.190 nan 0.000 0.458 770 G N -0.211 108.569 108.800 -0.033 0.000 2.414 770 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.215 770 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.215 770 G C 1.416 176.306 174.900 -0.015 0.000 1.188 770 G CA 0.773 45.857 45.100 -0.028 0.000 0.783 770 G HN 0.551 nan 8.290 nan 0.000 0.537 771 E N -0.081 120.109 120.200 -0.017 0.000 2.118 771 E HA -0.099 4.247 4.350 -0.007 0.000 0.195 771 E C 2.683 179.292 176.600 0.016 0.000 0.992 771 E CA 0.984 57.384 56.400 -0.001 0.000 0.804 771 E CB -0.110 29.588 29.700 -0.003 0.000 0.741 771 E HN 0.313 nan 8.360 nan 0.000 0.458 772 V N 0.640 120.562 119.914 0.014 0.000 2.283 772 V HA -0.199 3.917 4.120 -0.007 0.000 0.243 772 V C 2.312 178.443 176.094 0.061 0.000 1.039 772 V CA 1.157 63.477 62.300 0.033 0.000 1.016 772 V CB -0.264 31.569 31.823 0.016 0.000 0.650 772 V HN 0.126 nan 8.190 nan 0.000 0.449 773 V N -0.347 119.585 119.914 0.031 0.000 2.439 773 V HA -0.360 3.756 4.120 -0.007 0.000 0.253 773 V C 2.569 178.728 176.094 0.108 0.000 1.074 773 V CA 2.387 64.716 62.300 0.049 0.000 1.076 773 V CB -0.726 31.096 31.823 -0.002 0.000 0.664 773 V HN 0.838 nan 8.190 nan 0.000 0.461 774 C N 0.027 119.366 119.300 0.066 0.000 2.489 774 C HA -0.076 4.380 4.460 -0.007 0.000 0.279 774 C C 2.539 177.573 174.990 0.072 0.000 1.266 774 C CA 0.581 59.633 59.018 0.058 0.000 1.707 774 C CB -0.925 26.830 27.740 0.026 0.000 2.059 774 C HN 0.520 nan 8.230 nan 0.000 0.481 775 I N 0.892 121.504 120.570 0.070 0.000 2.423 775 I HA -0.117 4.049 4.170 -0.007 0.000 0.254 775 I C 2.263 178.425 176.117 0.076 0.000 1.151 775 I CA 1.674 63.008 61.300 0.056 0.000 1.421 775 I CB -1.751 36.278 38.000 0.048 0.000 1.079 775 I HN 0.458 nan 8.210 nan 0.000 0.431 776 F N 1.033 120.976 119.950 -0.011 0.000 2.187 776 F HA -0.055 4.468 4.527 -0.006 0.000 0.295 776 F C 2.391 178.191 175.800 -0.000 0.000 1.091 776 F CA 1.087 59.082 58.000 -0.009 0.000 1.308 776 F CB -0.101 38.896 39.000 -0.005 0.000 1.030 776 F HN -0.147 nan 8.300 nan 0.000 0.487 777 L N -0.276 121.063 121.223 0.192 0.000 2.042 777 L HA -0.246 4.090 4.340 -0.007 0.000 0.210 777 L C 2.394 179.242 176.870 -0.036 0.000 1.076 777 L CA 1.843 56.736 54.840 0.087 0.000 0.749 777 L CB -0.780 41.350 42.059 0.119 0.000 0.893 777 L HN 0.172 nan 8.230 nan 0.000 0.432 778 T N -0.593 113.944 114.554 -0.027 0.000 2.720 778 T HA -0.205 4.141 4.350 -0.007 0.000 0.268 778 T C 1.801 176.444 174.700 -0.094 0.000 1.037 778 T CA 1.467 63.543 62.100 -0.041 0.000 1.144 778 T CB -0.118 68.739 68.868 -0.019 0.000 0.864 778 T HN 0.498 nan 8.240 nan 0.000 0.444 779 A N 0.798 123.516 122.820 -0.170 0.000 1.929 779 A HA 0.348 4.664 4.320 -0.007 0.000 0.216 779 A C 2.526 179.952 177.584 -0.264 0.000 1.176 779 A CA 1.524 53.433 52.037 -0.214 0.000 0.628 779 A CB -0.789 18.056 19.000 -0.258 0.000 0.816 779 A HN 0.492 nan 8.150 nan 0.000 0.444 780 A N -0.670 121.919 122.820 -0.385 0.000 1.968 780 A HA 0.163 4.479 4.320 -0.007 0.000 0.217 780 A C 2.012 179.516 177.584 -0.134 0.000 1.169 780 A CA 1.200 53.047 52.037 -0.317 0.000 0.638 780 A CB -0.321 18.417 19.000 -0.438 0.000 0.812 780 A HN 0.439 nan 8.150 nan 0.000 0.446 781 L N -1.958 119.211 121.223 -0.091 0.000 2.463 781 L HA 0.235 4.571 4.340 -0.007 0.000 0.219 781 L C 1.487 178.309 176.870 -0.080 0.000 1.088 781 L CA 0.624 55.449 54.840 -0.024 0.000 0.849 781 L CB -0.024 42.069 42.059 0.057 0.000 1.012 781 L HN 0.558 nan 8.230 nan 0.000 0.468 782 G N 1.348 110.099 108.800 -0.082 0.000 2.248 782 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.252 782 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.252 782 G C -0.215 174.714 174.900 0.048 0.000 1.085 782 G CA -0.150 44.913 45.100 -0.062 0.000 0.845 782 G HN 0.170 nan 8.290 nan 0.000 0.494 783 L N -0.454 120.754 121.223 -0.026 0.000 2.365 783 L HA 0.675 5.011 4.340 -0.007 0.000 0.267 783 L C -1.741 174.945 176.870 -0.307 0.000 1.033 783 L CA -2.721 51.998 54.840 -0.202 0.000 0.802 783 L CB 0.931 42.903 42.059 -0.145 0.000 1.267 783 L HN -0.087 nan 8.230 nan 0.000 0.457 784 P HA 0.058 nan 4.420 nan 0.000 0.272 784 P C -0.997 176.228 177.300 -0.125 0.000 1.230 784 P CA -0.519 62.277 63.100 -0.507 0.000 0.788 784 P CB 0.286 31.627 31.700 -0.599 0.000 0.949 785 E N 0.706 120.889 120.200 -0.028 0.000 2.708 785 E HA -0.074 4.272 4.350 -0.007 0.000 0.260 785 E C 0.812 177.429 176.600 0.027 0.000 0.937 785 E CA 0.536 56.942 56.400 0.009 0.000 0.953 785 E CB 0.264 29.977 29.700 0.023 0.000 0.915 785 E HN 0.479 nan 8.360 nan 0.000 0.487 786 A N 4.193 127.031 122.820 0.029 0.000 2.014 786 A HA 0.173 4.489 4.320 -0.007 0.000 0.210 786 A C 0.713 178.305 177.584 0.013 0.000 1.188 786 A CA 0.417 52.475 52.037 0.034 0.000 0.731 786 A CB 0.463 19.488 19.000 0.042 0.000 0.858 786 A HN 0.462 nan 8.150 nan 0.000 0.464 787 L N 0.463 121.697 121.223 0.018 0.000 2.455 787 L HA 0.547 4.883 4.340 -0.007 0.000 0.264 787 L C -0.714 176.176 176.870 0.033 0.000 0.968 787 L CA -0.789 54.065 54.840 0.023 0.000 0.827 787 L CB 2.194 44.267 42.059 0.024 0.000 1.317 787 L HN 0.416 nan 8.230 nan 0.000 0.407 788 I N -0.688 119.910 120.570 0.047 0.000 2.577 788 I HA 0.520 4.686 4.170 -0.007 0.000 0.305 788 I C -1.649 174.508 176.117 0.067 0.000 0.986 788 I CA -2.020 59.309 61.300 0.049 0.000 1.189 788 I CB 1.555 39.583 38.000 0.047 0.000 1.355 788 I HN 0.377 nan 8.210 nan 0.000 0.476 789 P HA -0.209 nan 4.420 nan 0.000 0.218 789 P C 1.633 178.992 177.300 0.098 0.000 1.152 789 P CA 1.380 64.514 63.100 0.058 0.000 0.857 789 P CB 0.092 31.811 31.700 0.030 0.000 0.787 790 V N 0.187 120.169 119.914 0.113 0.000 2.346 790 V HA -0.188 3.929 4.120 -0.007 0.000 0.244 790 V C 2.833 179.119 176.094 0.321 0.000 1.037 790 V CA 1.591 63.996 62.300 0.176 0.000 1.029 790 V CB -1.391 30.485 31.823 0.089 0.000 0.663 790 V HN 0.084 nan 8.190 nan 0.000 0.454 791 Q N -0.309 119.680 119.800 0.315 0.000 2.242 791 Q HA -0.237 4.099 4.340 -0.007 0.000 0.211 791 Q C 2.161 178.293 176.000 0.220 0.000 0.992 791 Q CA 1.695 57.663 55.803 0.276 0.000 0.889 791 Q CB -0.232 28.594 28.738 0.147 0.000 0.913 791 Q HN 0.563 nan 8.270 nan 0.000 0.422 792 L N -0.410 120.921 121.223 0.179 0.000 2.145 792 L HA -0.071 4.265 4.340 -0.007 0.000 0.201 792 L C 2.349 179.311 176.870 0.152 0.000 1.075 792 L CA 0.352 55.270 54.840 0.131 0.000 0.773 792 L CB -0.461 41.648 42.059 0.083 0.000 0.936 792 L HN 0.279 nan 8.230 nan 0.000 0.451 793 L N -0.333 121.000 121.223 0.184 0.000 2.021 793 L HA -0.314 4.022 4.340 -0.007 0.000 0.215 793 L C 2.502 179.515 176.870 0.239 0.000 1.074 793 L CA 1.939 56.892 54.840 0.189 0.000 0.760 793 L CB -0.436 41.749 42.059 0.210 0.000 0.889 793 L HN 0.409 nan 8.230 nan 0.000 0.433 794 W N -0.409 120.970 121.300 0.132 0.000 2.379 794 W HA -0.174 4.483 4.660 -0.006 0.000 0.307 794 W C 2.239 178.794 176.519 0.060 0.000 1.200 794 W CA 1.791 59.211 57.345 0.124 0.000 1.297 794 W CB -0.171 29.398 29.460 0.183 0.000 1.140 794 W HN 0.055 nan 8.180 nan 0.000 0.507 795 V N 1.905 121.928 119.914 0.181 0.000 2.255 795 V HA -0.390 3.726 4.120 -0.007 0.000 0.247 795 V C 2.348 178.420 176.094 -0.037 0.000 1.051 795 V CA 2.282 64.612 62.300 0.050 0.000 1.018 795 V CB -1.085 30.779 31.823 0.067 0.000 0.641 795 V HN 0.180 nan 8.190 nan 0.000 0.445 796 N N 0.185 118.877 118.700 -0.014 0.000 2.018 796 N HA -0.185 4.551 4.740 -0.007 0.000 0.196 796 N C 1.841 177.306 175.510 -0.075 0.000 1.043 796 N CA 1.868 54.894 53.050 -0.040 0.000 0.856 796 N CB -0.464 38.017 38.487 -0.010 0.000 1.042 796 N HN 0.371 nan 8.380 nan 0.000 0.423 797 L N 0.429 121.596 121.223 -0.093 0.000 2.027 797 L HA -0.092 4.244 4.340 -0.007 0.000 0.206 797 L C 2.234 178.961 176.870 -0.239 0.000 1.074 797 L CA 0.894 55.651 54.840 -0.140 0.000 0.745 797 L CB -0.285 41.703 42.059 -0.118 0.000 0.898 797 L HN -0.015 nan 8.230 nan 0.000 0.433 798 V N -1.612 118.053 119.914 -0.414 0.000 2.693 798 V HA -0.113 4.003 4.120 -0.007 0.000 0.223 798 V C 2.345 178.260 176.094 -0.299 0.000 1.131 798 V CA 1.463 63.456 62.300 -0.511 0.000 1.177 798 V CB -0.368 30.781 31.823 -1.123 0.000 0.852 798 V HN 0.296 nan 8.190 nan 0.000 0.507 799 T N 0.529 114.911 114.554 -0.286 0.000 2.635 799 T HA -0.312 4.034 4.350 -0.007 0.000 0.265 799 T C 1.530 176.216 174.700 -0.022 0.000 1.058 799 T CA 2.466 64.519 62.100 -0.078 0.000 1.162 799 T CB -0.407 68.463 68.868 0.003 0.000 0.859 799 T HN 0.426 nan 8.240 nan 0.000 0.449 800 D N 0.113 120.496 120.400 -0.028 0.000 2.162 800 D HA 0.110 4.746 4.640 -0.007 0.000 0.205 800 D C 2.411 178.755 176.300 0.072 0.000 0.964 800 D CA 1.023 55.055 54.000 0.053 0.000 0.847 800 D CB -0.862 39.915 40.800 -0.039 0.000 0.988 800 D HN 0.447 nan 8.370 nan 0.000 0.480 801 G N 0.762 109.541 108.800 -0.036 0.000 2.475 801 G HA2 -0.210 3.746 3.960 -0.007 0.000 0.220 801 G HA3 -0.210 3.746 3.960 -0.007 0.000 0.220 801 G C 1.674 176.525 174.900 -0.082 0.000 1.125 801 G CA 0.532 45.590 45.100 -0.069 0.000 0.755 801 G HN 0.246 nan 8.290 nan 0.000 0.565 802 L N 0.575 121.760 121.223 -0.064 0.000 2.007 802 L HA 0.012 4.348 4.340 -0.007 0.000 0.205 802 L C 0.039 176.874 176.870 -0.059 0.000 1.073 802 L CA 0.797 55.604 54.840 -0.055 0.000 0.744 802 L CB -1.286 40.754 42.059 -0.031 0.000 0.898 802 L HN 0.102 nan 8.230 nan 0.000 0.435 803 P HA -0.183 nan 4.420 nan 0.000 0.218 803 P C 1.346 178.521 177.300 -0.207 0.000 1.146 803 P CA 1.714 64.752 63.100 -0.103 0.000 0.813 803 P CB -0.022 31.628 31.700 -0.083 0.000 0.778 804 A N -0.947 121.797 122.820 -0.128 0.000 1.873 804 A HA -0.159 4.157 4.320 -0.007 0.000 0.215 804 A C 2.258 179.621 177.584 -0.369 0.000 1.186 804 A CA 2.299 54.235 52.037 -0.168 0.000 0.616 804 A CB -1.823 17.151 19.000 -0.043 0.000 0.823 804 A HN 0.135 nan 8.150 nan 0.000 0.442 805 T N 0.534 114.878 114.554 -0.350 0.000 2.684 805 T HA -0.067 4.279 4.350 -0.007 0.000 0.267 805 T C 1.924 176.294 174.700 -0.550 0.000 1.036 805 T CA 1.613 63.456 62.100 -0.428 0.000 1.148 805 T CB -0.415 68.306 68.868 -0.246 0.000 0.863 805 T HN 0.573 nan 8.240 nan 0.000 0.436 806 A N 0.500 123.109 122.820 -0.352 0.000 2.252 806 A HA 0.279 4.595 4.320 -0.007 0.000 0.207 806 A C 2.002 179.400 177.584 -0.310 0.000 1.194 806 A CA 0.367 52.211 52.037 -0.322 0.000 0.809 806 A CB -0.689 18.377 19.000 0.109 0.000 0.814 806 A HN 0.481 nan 8.150 nan 0.000 0.482 807 L N -1.337 119.690 121.223 -0.327 0.000 2.341 807 L HA 0.007 4.343 4.340 -0.007 0.000 0.214 807 L C 2.342 179.101 176.870 -0.185 0.000 1.115 807 L CA 0.784 55.516 54.840 -0.180 0.000 0.820 807 L CB -0.294 41.721 42.059 -0.074 0.000 0.944 807 L HN 0.518 nan 8.230 nan 0.000 0.452 808 G N -0.724 107.818 108.800 -0.429 0.000 2.990 808 G HA2 -0.150 3.806 3.960 -0.007 0.000 0.206 808 G HA3 -0.150 3.806 3.960 -0.007 0.000 0.206 808 G C 0.570 175.276 174.900 -0.323 0.000 1.169 808 G CA 0.073 44.946 45.100 -0.377 0.000 0.819 808 G HN 0.284 nan 8.290 nan 0.000 0.517 809 F N -0.433 119.490 119.950 -0.046 0.000 2.772 809 F HA 0.329 4.852 4.527 -0.007 0.000 0.316 809 F C 0.233 176.009 175.800 -0.040 0.000 1.114 809 F CA -2.085 55.861 58.000 -0.090 0.000 1.191 809 F CB -0.604 38.297 39.000 -0.166 0.000 1.065 809 F HN -0.140 nan 8.300 nan 0.000 0.534 810 N N 4.850 123.604 118.700 0.089 0.000 2.411 810 N HA 0.046 4.782 4.740 -0.007 0.000 0.265 810 N C -2.397 173.146 175.510 0.054 0.000 1.266 810 N CA -0.929 52.154 53.050 0.055 0.000 0.889 810 N CB 0.182 38.677 38.487 0.014 0.000 1.069 810 N HN 0.025 nan 8.380 nan 0.000 0.476 811 P HA 0.062 nan 4.420 nan 0.000 0.261 811 P C -2.417 174.897 177.300 0.025 0.000 1.183 811 P CA -0.657 62.465 63.100 0.036 0.000 0.761 811 P CB -0.285 31.434 31.700 0.032 0.000 0.785 812 P HA 0.080 nan 4.420 nan 0.000 0.271 812 P C -0.054 177.255 177.300 0.014 0.000 1.216 812 P CA 0.053 63.164 63.100 0.019 0.000 0.771 812 P CB 0.379 32.090 31.700 0.018 0.000 0.864 813 D N 2.545 122.953 120.400 0.013 0.000 2.378 813 D HA -0.019 4.617 4.640 -0.007 0.000 0.238 813 D C 0.914 177.220 176.300 0.009 0.000 1.180 813 D CA -0.195 53.811 54.000 0.010 0.000 0.895 813 D CB 0.833 41.639 40.800 0.009 0.000 1.192 813 D HN 0.120 nan 8.370 nan 0.000 0.438 814 L N 0.347 121.575 121.223 0.008 0.000 2.270 814 L HA -0.074 4.262 4.340 -0.007 0.000 0.210 814 L C 2.056 178.929 176.870 0.005 0.000 1.104 814 L CA 0.795 55.639 54.840 0.007 0.000 0.804 814 L CB -0.738 41.325 42.059 0.007 0.000 0.937 814 L HN 0.519 nan 8.230 nan 0.000 0.450 815 D N 0.335 120.737 120.400 0.004 0.000 2.392 815 D HA -0.190 4.446 4.640 -0.007 0.000 0.228 815 D C 2.007 178.309 176.300 0.003 0.000 1.003 815 D CA 0.482 54.483 54.000 0.003 0.000 0.917 815 D CB 0.088 40.889 40.800 0.002 0.000 0.890 815 D HN 0.307 nan 8.370 nan 0.000 0.532 816 I N 0.613 121.186 120.570 0.005 0.000 2.286 816 I HA -0.179 3.987 4.170 -0.007 0.000 0.248 816 I C 1.793 177.910 176.117 0.001 0.000 1.115 816 I CA 1.017 62.321 61.300 0.006 0.000 1.392 816 I CB -0.184 37.822 38.000 0.010 0.000 1.065 816 I HN -0.052 nan 8.210 nan 0.000 0.418 817 M N -0.197 119.403 119.600 0.001 0.000 2.530 817 M HA 0.083 4.559 4.480 -0.007 0.000 0.231 817 M C 0.569 176.868 176.300 -0.002 0.000 1.180 817 M CA 0.499 55.798 55.300 -0.002 0.000 0.985 817 M CB -0.871 31.729 32.600 -0.000 0.000 1.623 817 M HN 0.141 nan 8.290 nan 0.000 0.475 818 D N -0.535 119.864 120.400 -0.002 0.000 2.455 818 D HA 0.122 4.758 4.640 -0.007 0.000 0.228 818 D C 0.966 177.263 176.300 -0.005 0.000 1.070 818 D CA 0.237 54.235 54.000 -0.003 0.000 0.881 818 D CB 0.765 41.564 40.800 -0.002 0.000 1.087 818 D HN 0.195 nan 8.370 nan 0.000 0.498 819 R N 1.047 121.544 120.500 -0.005 0.000 2.615 819 R HA 0.267 4.603 4.340 -0.007 0.000 0.270 819 R C -2.253 174.040 176.300 -0.011 0.000 1.081 819 R CA -1.407 54.689 56.100 -0.007 0.000 1.154 819 R CB 0.609 30.906 30.300 -0.005 0.000 1.063 819 R HN -0.112 nan 8.270 nan 0.000 0.519 820 P HA 0.141 nan 4.420 nan 0.000 0.282 820 P C -2.523 174.762 177.300 -0.025 0.000 1.286 820 P CA -0.949 62.141 63.100 -0.017 0.000 0.777 820 P CB -0.158 31.532 31.700 -0.017 0.000 1.184 821 P HA 0.178 nan 4.420 nan 0.000 0.280 821 P C -0.396 176.871 177.300 -0.056 0.000 1.244 821 P CA -0.318 62.752 63.100 -0.050 0.000 0.784 821 P CB 0.281 31.953 31.700 -0.047 0.000 0.913 822 R N 1.270 121.720 120.500 -0.084 0.000 2.756 822 R HA 0.186 4.522 4.340 -0.007 0.000 0.264 822 R C 0.122 176.382 176.300 -0.066 0.000 1.026 822 R CA -0.108 55.945 56.100 -0.079 0.000 1.121 822 R CB -0.121 30.096 30.300 -0.137 0.000 0.999 822 R HN 0.283 nan 8.270 nan 0.000 0.449 823 S N 2.395 118.074 115.700 -0.034 0.000 2.549 823 S HA 0.135 4.601 4.470 -0.007 0.000 0.279 823 S C -1.511 173.077 174.600 -0.019 0.000 1.321 823 S CA -1.657 56.532 58.200 -0.018 0.000 1.054 823 S CB 1.047 64.247 63.200 -0.000 0.000 0.899 823 S HN 0.618 nan 8.310 nan 0.000 0.497 824 P HA -0.076 nan 4.420 nan 0.000 0.215 824 P C 1.144 178.450 177.300 0.010 0.000 1.153 824 P CA 1.103 64.199 63.100 -0.008 0.000 0.853 824 P CB 0.196 31.900 31.700 0.006 0.000 0.788 825 K N -0.150 120.262 120.400 0.020 0.000 2.137 825 K HA -0.029 4.287 4.320 -0.007 0.000 0.202 825 K C 0.829 177.454 176.600 0.041 0.000 1.052 825 K CA 0.227 56.532 56.287 0.030 0.000 0.961 825 K CB -0.770 31.747 32.500 0.028 0.000 0.741 825 K HN 0.347 nan 8.250 nan 0.000 0.452 826 E N 3.846 124.070 120.200 0.040 0.000 2.868 826 E HA -0.077 4.269 4.350 -0.007 0.000 0.246 826 E C -2.110 174.541 176.600 0.084 0.000 0.962 826 E CA -0.880 55.554 56.400 0.057 0.000 0.955 826 E CB 0.325 30.055 29.700 0.050 0.000 0.903 826 E HN -0.004 nan 8.360 nan 0.000 0.524 827 P HA -0.019 nan 4.420 nan 0.000 0.276 827 P C 0.723 178.107 177.300 0.140 0.000 1.261 827 P CA -0.387 62.782 63.100 0.114 0.000 0.800 827 P CB 1.018 32.779 31.700 0.101 0.000 1.066 828 L N -0.041 121.262 121.223 0.134 0.000 1.976 828 L HA -0.057 4.279 4.340 -0.007 0.000 0.209 828 L C 1.217 178.115 176.870 0.047 0.000 1.071 828 L CA 1.482 56.354 54.840 0.054 0.000 0.746 828 L CB -0.187 41.838 42.059 -0.057 0.000 0.890 828 L HN 0.303 nan 8.230 nan 0.000 0.432 829 I N -0.312 120.338 120.570 0.133 0.000 2.330 829 I HA 0.119 4.285 4.170 -0.007 0.000 0.289 829 I C 0.420 176.644 176.117 0.179 0.000 1.001 829 I CA -0.286 61.130 61.300 0.193 0.000 1.193 829 I CB 1.231 39.447 38.000 0.361 0.000 1.345 829 I HN 0.071 nan 8.210 nan 0.000 0.461 830 S N 4.315 120.124 115.700 0.183 0.000 2.669 830 S HA 0.477 4.943 4.470 -0.007 0.000 0.270 830 S C 1.226 175.946 174.600 0.200 0.000 1.225 830 S CA -0.160 58.148 58.200 0.179 0.000 0.991 830 S CB 1.235 64.561 63.200 0.210 0.000 0.987 830 S HN 0.788 nan 8.310 nan 0.000 0.552 831 G N -0.472 108.437 108.800 0.182 0.000 2.708 831 G HA2 -0.054 3.902 3.960 -0.007 0.000 0.210 831 G HA3 -0.054 3.902 3.960 -0.007 0.000 0.210 831 G C 0.821 175.917 174.900 0.327 0.000 1.141 831 G CA 0.071 45.294 45.100 0.205 0.000 0.788 831 G HN 0.836 nan 8.290 nan 0.000 0.531 832 W N 0.148 121.534 121.300 0.143 0.000 2.846 832 W HA 0.124 4.780 4.660 -0.006 0.000 0.273 832 W C 1.618 178.243 176.519 0.176 0.000 1.081 832 W CA -0.090 57.345 57.345 0.150 0.000 1.692 832 W CB -0.297 29.223 29.460 0.101 0.000 1.106 832 W HN 0.085 nan 8.180 nan 0.000 0.577 833 L N 0.944 122.148 121.223 -0.031 0.000 2.189 833 L HA -0.265 4.071 4.340 -0.007 0.000 0.214 833 L C 2.522 179.251 176.870 -0.234 0.000 1.097 833 L CA 1.604 56.354 54.840 -0.151 0.000 0.764 833 L CB -1.059 41.073 42.059 0.121 0.000 0.900 833 L HN 0.013 nan 8.230 nan 0.000 0.436 834 F N 0.711 120.466 119.950 -0.326 0.000 2.009 834 F HA -0.287 4.236 4.527 -0.006 0.000 0.293 834 F C 2.425 177.785 175.800 -0.732 0.000 1.156 834 F CA 1.480 59.105 58.000 -0.626 0.000 1.168 834 F CB -0.908 37.959 39.000 -0.223 0.000 0.981 834 F HN -0.011 nan 8.300 nan 0.000 0.475 835 F N 1.605 121.239 119.950 -0.528 0.000 2.111 835 F HA -0.324 4.200 4.527 -0.006 0.000 0.300 835 F C 2.705 178.112 175.800 -0.655 0.000 1.088 835 F CA 2.498 60.169 58.000 -0.548 0.000 1.243 835 F CB -0.620 38.228 39.000 -0.253 0.000 0.996 835 F HN 0.065 nan 8.300 nan 0.000 0.483 836 R N -0.327 119.716 120.500 -0.762 0.000 2.073 836 R HA -0.238 4.099 4.340 -0.007 0.000 0.234 836 R C 2.254 178.235 176.300 -0.532 0.000 1.134 836 R CA 2.196 57.825 56.100 -0.785 0.000 0.952 836 R CB -0.819 28.974 30.300 -0.844 0.000 0.850 836 R HN 0.594 nan 8.270 nan 0.000 0.433 837 Y N -1.890 118.177 120.300 -0.388 0.000 2.482 837 Y HA 0.235 4.781 4.550 -0.007 0.000 0.270 837 Y C 1.687 177.391 175.900 -0.327 0.000 1.152 837 Y CA -0.085 57.846 58.100 -0.280 0.000 1.292 837 Y CB -0.373 37.989 38.460 -0.162 0.000 1.070 837 Y HN -0.049 nan 8.280 nan 0.000 0.528 838 M N 0.832 120.094 119.600 -0.563 0.000 2.388 838 M HA 0.210 4.686 4.480 -0.007 0.000 0.265 838 M C 2.194 178.242 176.300 -0.420 0.000 1.088 838 M CA 1.385 56.394 55.300 -0.486 0.000 1.134 838 M CB -0.032 32.071 32.600 -0.828 0.000 1.384 838 M HN 0.363 nan 8.290 nan 0.000 0.447 839 A N 0.175 122.649 122.820 -0.576 0.000 2.014 839 A HA -0.047 4.269 4.320 -0.007 0.000 0.218 839 A C 1.933 179.387 177.584 -0.217 0.000 1.163 839 A CA 1.015 52.773 52.037 -0.465 0.000 0.652 839 A CB -0.668 17.924 19.000 -0.680 0.000 0.808 839 A HN 0.477 nan 8.150 nan 0.000 0.449 840 I N -0.286 120.179 120.570 -0.175 0.000 2.277 840 I HA -0.124 4.042 4.170 -0.007 0.000 0.243 840 I C 2.688 178.804 176.117 -0.002 0.000 1.094 840 I CA 1.559 62.827 61.300 -0.053 0.000 1.393 840 I CB -1.714 36.267 38.000 -0.032 0.000 1.078 840 I HN 0.359 nan 8.210 nan 0.000 0.417 841 G N 0.635 109.418 108.800 -0.030 0.000 2.432 841 G HA2 -0.177 3.779 3.960 -0.007 0.000 0.219 841 G HA3 -0.177 3.779 3.960 -0.007 0.000 0.219 841 G C 1.666 176.546 174.900 -0.035 0.000 1.135 841 G CA 0.899 45.984 45.100 -0.025 0.000 0.767 841 G HN 0.478 nan 8.290 nan 0.000 0.550 842 G N 0.141 108.903 108.800 -0.063 0.000 2.524 842 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.215 842 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.215 842 G C 1.558 176.459 174.900 0.002 0.000 1.239 842 G CA 1.108 46.177 45.100 -0.051 0.000 0.798 842 G HN 0.376 nan 8.290 nan 0.000 0.557 843 Y N 1.287 121.537 120.300 -0.083 0.000 2.069 843 Y HA -0.259 4.287 4.550 -0.006 0.000 0.278 843 Y C 2.968 178.844 175.900 -0.039 0.000 1.175 843 Y CA 2.217 60.284 58.100 -0.056 0.000 1.134 843 Y CB -0.614 37.809 38.460 -0.061 0.000 0.965 843 Y HN 0.033 nan 8.280 nan 0.000 0.498 844 V N 0.439 120.392 119.914 0.065 0.000 2.250 844 V HA -0.403 3.713 4.120 -0.007 0.000 0.250 844 V C 2.643 178.675 176.094 -0.103 0.000 1.060 844 V CA 2.097 64.384 62.300 -0.022 0.000 1.030 844 V CB -1.767 30.065 31.823 0.016 0.000 0.643 844 V HN 0.698 nan 8.190 nan 0.000 0.445 845 G N -0.425 108.336 108.800 -0.066 0.000 2.628 845 G HA2 -0.324 3.632 3.960 -0.007 0.000 0.217 845 G HA3 -0.324 3.632 3.960 -0.007 0.000 0.217 845 G C 1.800 176.652 174.900 -0.079 0.000 1.240 845 G CA 1.873 46.944 45.100 -0.049 0.000 0.792 845 G HN 0.698 nan 8.290 nan 0.000 0.593 846 A N 1.195 123.947 122.820 -0.112 0.000 1.881 846 A HA -0.006 4.310 4.320 -0.007 0.000 0.219 846 A C 2.905 180.381 177.584 -0.180 0.000 1.215 846 A CA 3.392 55.351 52.037 -0.129 0.000 0.648 846 A CB -1.232 17.674 19.000 -0.157 0.000 0.832 846 A HN 1.235 nan 8.150 nan 0.000 0.455 847 A N -0.659 121.949 122.820 -0.353 0.000 1.873 847 A HA -0.199 4.117 4.320 -0.007 0.000 0.218 847 A C 2.520 180.016 177.584 -0.146 0.000 1.193 847 A CA 3.311 55.148 52.037 -0.334 0.000 0.629 847 A CB -1.725 16.968 19.000 -0.513 0.000 0.826 847 A HN 1.068 nan 8.150 nan 0.000 0.447 848 T N -2.198 112.292 114.554 -0.106 0.000 2.803 848 T HA -0.124 4.222 4.350 -0.007 0.000 0.269 848 T C 1.660 176.359 174.700 -0.002 0.000 1.052 848 T CA 1.793 63.865 62.100 -0.046 0.000 1.136 848 T CB -0.861 67.987 68.868 -0.033 0.000 0.864 848 T HN 0.137 nan 8.240 nan 0.000 0.467 849 V N 2.042 121.959 119.914 0.006 0.000 2.255 849 V HA 0.092 4.208 4.120 -0.007 0.000 0.243 849 V C 3.189 179.342 176.094 0.099 0.000 1.038 849 V CA 1.571 63.904 62.300 0.056 0.000 1.008 849 V CB -1.715 30.139 31.823 0.050 0.000 0.645 849 V HN 0.612 nan 8.190 nan 0.000 0.449 850 G N 0.164 109.004 108.800 0.065 0.000 2.606 850 G HA2 -0.352 3.604 3.960 -0.007 0.000 0.221 850 G HA3 -0.352 3.604 3.960 -0.007 0.000 0.221 850 G C 1.737 176.747 174.900 0.185 0.000 1.152 850 G CA 1.890 47.056 45.100 0.109 0.000 0.765 850 G HN 0.666 nan 8.290 nan 0.000 0.595 851 A N 1.313 124.196 122.820 0.105 0.000 1.842 851 A HA 0.098 4.414 4.320 -0.007 0.000 0.217 851 A C 2.934 180.679 177.584 0.268 0.000 1.206 851 A CA 3.251 55.367 52.037 0.132 0.000 0.630 851 A CB -1.295 17.717 19.000 0.019 0.000 0.839 851 A HN 1.196 nan 8.150 nan 0.000 0.447 852 A N -0.583 122.351 122.820 0.189 0.000 1.917 852 A HA 0.067 4.383 4.320 -0.007 0.000 0.219 852 A C 2.541 180.384 177.584 0.431 0.000 1.182 852 A CA 2.717 54.886 52.037 0.219 0.000 0.633 852 A CB -1.178 17.932 19.000 0.184 0.000 0.819 852 A HN 1.274 nan 8.150 nan 0.000 0.448 853 A N -1.504 121.574 122.820 0.429 0.000 1.877 853 A HA -0.182 4.135 4.320 -0.007 0.000 0.216 853 A C 2.017 179.893 177.584 0.486 0.000 1.186 853 A CA 1.630 53.953 52.037 0.478 0.000 0.620 853 A CB -1.084 18.125 19.000 0.349 0.000 0.822 853 A HN 0.941 nan 8.150 nan 0.000 0.443 854 W N -0.812 120.664 121.300 0.293 0.000 2.331 854 W HA -0.212 4.445 4.660 -0.005 0.000 0.291 854 W C 1.891 178.581 176.519 0.284 0.000 1.214 854 W CA 1.807 59.344 57.345 0.321 0.000 1.228 854 W CB -0.334 29.251 29.460 0.209 0.000 1.135 854 W HN 0.511 nan 8.180 nan 0.000 0.537 855 W N -0.030 121.328 121.300 0.097 0.000 2.378 855 W HA -0.128 4.529 4.660 -0.006 0.000 0.313 855 W C 2.170 178.501 176.519 -0.313 0.000 1.197 855 W CA 2.390 59.573 57.345 -0.270 0.000 1.304 855 W CB -1.194 28.142 29.460 -0.207 0.000 1.148 855 W HN -0.111 nan 8.180 nan 0.000 0.494 856 F N -0.011 119.982 119.950 0.071 0.000 2.192 856 F HA -0.299 4.224 4.527 -0.007 0.000 0.301 856 F C 2.375 177.977 175.800 -0.329 0.000 1.079 856 F CA 1.798 59.722 58.000 -0.128 0.000 1.303 856 F CB -0.366 38.699 39.000 0.108 0.000 1.024 856 F HN -0.109 nan 8.300 nan 0.000 0.494 857 M N -3.442 116.054 119.600 -0.174 0.000 2.491 857 M HA 0.052 4.528 4.480 -0.007 0.000 0.259 857 M C 0.677 176.470 176.300 -0.845 0.000 1.163 857 M CA 0.839 55.854 55.300 -0.475 0.000 1.109 857 M CB 0.395 32.695 32.600 -0.500 0.000 1.353 857 M HN 0.122 nan 8.290 nan 0.000 0.500 858 Y N -0.564 119.443 120.300 -0.488 0.000 2.476 858 Y HA 0.450 4.997 4.550 -0.006 0.000 0.274 858 Y C 1.117 176.529 175.900 -0.814 0.000 1.120 858 Y CA -0.636 57.123 58.100 -0.568 0.000 1.214 858 Y CB 0.147 38.319 38.460 -0.479 0.000 1.285 858 Y HN -0.019 nan 8.280 nan 0.000 0.520 859 A N 1.684 123.809 122.820 -1.159 0.000 2.567 859 A HA -0.079 4.237 4.320 -0.007 0.000 0.240 859 A C 1.330 178.559 177.584 -0.591 0.000 1.053 859 A CA 0.318 51.711 52.037 -1.074 0.000 0.755 859 A CB 0.075 18.424 19.000 -1.085 0.000 0.978 859 A HN 0.573 nan 8.150 nan 0.000 0.507 860 E N 1.041 121.056 120.200 -0.308 0.000 2.347 860 E HA -0.181 4.165 4.350 -0.007 0.000 0.196 860 E C 0.892 177.385 176.600 -0.178 0.000 1.008 860 E CA 1.176 57.463 56.400 -0.188 0.000 0.852 860 E CB 0.141 29.803 29.700 -0.064 0.000 0.783 860 E HN 0.855 nan 8.360 nan 0.000 0.505 861 D N -0.495 119.801 120.400 -0.173 0.000 2.289 861 D HA 0.008 4.644 4.640 -0.007 0.000 0.207 861 D C 0.248 176.435 176.300 -0.188 0.000 0.966 861 D CA 0.645 54.606 54.000 -0.065 0.000 0.868 861 D CB 0.317 41.202 40.800 0.142 0.000 0.943 861 D HN 0.136 nan 8.370 nan 0.000 0.514 862 G N 0.339 108.762 108.800 -0.629 0.000 2.566 862 G HA2 0.510 4.466 3.960 -0.007 0.000 0.311 862 G HA3 0.510 4.466 3.960 -0.007 0.000 0.311 862 G C -2.785 171.621 174.900 -0.824 0.000 1.322 862 G CA -1.411 43.075 45.100 -1.022 0.000 0.969 862 G HN -0.083 nan 8.290 nan 0.000 0.490 863 P HA 0.051 nan 4.420 nan 0.000 0.261 863 P C 0.629 177.719 177.300 -0.350 0.000 1.173 863 P CA 0.245 63.145 63.100 -0.334 0.000 0.760 863 P CB 0.930 32.498 31.700 -0.220 0.000 0.783 864 G N 3.558 112.188 108.800 -0.284 0.000 2.865 864 G HA2 0.372 4.328 3.960 -0.007 0.000 0.292 864 G HA3 0.372 4.328 3.960 -0.007 0.000 0.292 864 G C 0.495 175.285 174.900 -0.183 0.000 0.800 864 G CA -0.484 44.445 45.100 -0.285 0.000 1.838 864 G HN 0.531 nan 8.290 nan 0.000 0.535 865 V N 1.523 121.367 119.914 -0.117 0.000 3.319 865 V HA 0.730 4.846 4.120 -0.007 0.000 0.303 865 V C 0.719 176.790 176.094 -0.038 0.000 1.094 865 V CA -0.072 62.218 62.300 -0.017 0.000 1.106 865 V CB 0.873 32.760 31.823 0.106 0.000 1.099 865 V HN 0.600 nan 8.190 nan 0.000 0.476 866 T N 0.047 114.611 114.554 0.017 0.000 2.918 866 T HA 0.330 4.676 4.350 -0.007 0.000 0.283 866 T C 0.516 175.279 174.700 0.105 0.000 1.001 866 T CA 0.241 62.365 62.100 0.041 0.000 1.041 866 T CB 0.780 69.682 68.868 0.058 0.000 1.028 866 T HN 0.818 nan 8.240 nan 0.000 0.511 867 Y N 0.557 120.871 120.300 0.023 0.000 2.241 867 Y HA -0.253 4.293 4.550 -0.007 0.000 0.286 867 Y C 2.594 178.549 175.900 0.092 0.000 1.166 867 Y CA 2.218 60.349 58.100 0.052 0.000 1.203 867 Y CB -0.557 37.943 38.460 0.067 0.000 0.977 867 Y HN 0.969 nan 8.280 nan 0.000 0.529 868 H N -0.170 118.885 119.070 -0.025 0.000 2.389 868 H HA -0.129 4.423 4.556 -0.007 0.000 0.299 868 H C 1.756 177.066 175.328 -0.031 0.000 1.081 868 H CA 1.924 57.934 56.048 -0.064 0.000 1.345 868 H CB 0.192 29.894 29.762 -0.100 0.000 1.393 868 H HN 0.526 nan 8.280 nan 0.000 0.520 869 Q N -0.061 119.698 119.800 -0.069 0.000 2.049 869 Q HA -0.104 4.232 4.340 -0.007 0.000 0.198 869 Q C 2.493 178.537 176.000 0.073 0.000 0.971 869 Q CA 0.993 56.790 55.803 -0.009 0.000 0.833 869 Q CB 0.018 28.838 28.738 0.137 0.000 0.896 869 Q HN 0.244 nan 8.270 nan 0.000 0.434 870 L N 0.591 121.802 121.223 -0.020 0.000 2.042 870 L HA -0.163 4.173 4.340 -0.007 0.000 0.210 870 L C 2.049 178.793 176.870 -0.210 0.000 1.076 870 L CA 1.942 56.671 54.840 -0.185 0.000 0.749 870 L CB -0.749 41.188 42.059 -0.203 0.000 0.893 870 L HN 0.145 nan 8.230 nan 0.000 0.432 871 T N -1.250 113.117 114.554 -0.312 0.000 2.962 871 T HA -0.095 4.252 4.350 -0.007 0.000 0.270 871 T C 0.952 175.388 174.700 -0.440 0.000 1.088 871 T CA 1.253 63.116 62.100 -0.396 0.000 1.127 871 T CB -0.337 68.180 68.868 -0.585 0.000 0.883 871 T HN 0.497 nan 8.240 nan 0.000 0.493 872 H N -0.154 118.749 119.070 -0.278 0.000 2.575 872 H HA 0.184 4.737 4.556 -0.006 0.000 0.256 872 H C 1.086 176.268 175.328 -0.244 0.000 1.162 872 H CA -0.352 55.518 56.048 -0.296 0.000 0.969 872 H CB -0.060 29.476 29.762 -0.377 0.000 1.796 872 H HN 0.519 nan 8.280 nan 0.000 0.607 873 F N -0.606 119.070 119.950 -0.457 0.000 2.408 873 F HA -0.115 4.408 4.527 -0.007 0.000 0.300 873 F C 1.865 177.225 175.800 -0.734 0.000 1.090 873 F CA 0.445 57.844 58.000 -1.002 0.000 1.427 873 F CB -0.219 37.582 39.000 -1.998 0.000 1.070 873 F HN -0.006 nan 8.300 nan 0.000 0.549 874 M N 0.734 119.518 119.600 -1.359 0.000 2.394 874 M HA -0.085 4.391 4.480 -0.007 0.000 0.264 874 M C 1.713 177.702 176.300 -0.519 0.000 1.073 874 M CA 1.262 56.005 55.300 -0.928 0.000 1.111 874 M CB -1.128 30.958 32.600 -0.857 0.000 1.401 874 M HN 0.405 nan 8.290 nan 0.000 0.448 875 Q N -1.520 118.019 119.800 -0.436 0.000 2.320 875 Q HA 0.045 4.381 4.340 -0.007 0.000 0.201 875 Q C 0.427 176.126 176.000 -0.501 0.000 0.910 875 Q CA -0.254 55.379 55.803 -0.284 0.000 0.946 875 Q CB 0.294 28.986 28.738 -0.078 0.000 1.062 875 Q HN 0.396 nan 8.270 nan 0.000 0.503 876 c N 1.241 119.304 118.600 -0.896 0.000 2.662 876 c HA 0.300 4.866 4.570 -0.007 0.000 0.420 876 c C 0.476 174.323 174.090 -0.405 0.000 1.314 876 c CA 0.477 56.098 56.329 -1.181 0.000 1.963 876 c CB -0.057 41.801 42.510 -1.087 0.000 2.686 876 c HN 0.268 nan 8.230 nan 0.000 0.609 877 T N 3.124 117.582 114.554 -0.161 0.000 2.864 877 T HA 0.243 4.590 4.350 -0.007 0.000 0.299 877 T C -1.092 173.654 174.700 0.076 0.000 1.166 877 T CA -0.437 61.679 62.100 0.027 0.000 1.007 877 T CB 1.334 70.307 68.868 0.175 0.000 1.219 877 T HN 0.699 nan 8.240 nan 0.000 0.506 878 E N 3.101 123.335 120.200 0.056 0.000 3.111 878 E HA -0.003 4.343 4.350 -0.007 0.000 0.230 878 E C 0.017 176.667 176.600 0.083 0.000 1.035 878 E CA 0.822 57.255 56.400 0.055 0.000 0.944 878 E CB -0.746 28.974 29.700 0.034 0.000 0.919 878 E HN 0.713 nan 8.360 nan 0.000 0.554 879 D N 2.105 122.566 120.400 0.101 0.000 2.704 879 D HA -0.329 4.307 4.640 -0.007 0.000 0.232 879 D C -0.416 175.973 176.300 0.148 0.000 1.183 879 D CA 0.766 54.837 54.000 0.119 0.000 0.647 879 D CB -1.658 39.179 40.800 0.062 0.000 1.013 879 D HN 0.602 nan 8.370 nan 0.000 0.415 880 H N -0.038 119.114 119.070 0.137 0.000 3.038 880 H HA 0.022 4.575 4.556 -0.005 0.000 0.338 880 H C -1.243 174.143 175.328 0.097 0.000 1.041 880 H CA -0.448 55.701 56.048 0.170 0.000 1.394 880 H CB 0.974 30.994 29.762 0.431 0.000 1.357 880 H HN 0.055 nan 8.280 nan 0.000 0.600 881 P HA -0.150 nan 4.420 nan 0.000 0.218 881 P C 0.802 178.025 177.300 -0.128 0.000 1.148 881 P CA 1.404 64.360 63.100 -0.240 0.000 0.822 881 P CB 0.187 31.574 31.700 -0.521 0.000 0.784 882 H N -2.958 116.254 119.070 0.235 0.000 2.563 882 H HA 0.211 4.764 4.556 -0.005 0.000 0.264 882 H C 0.309 175.394 175.328 -0.404 0.000 0.957 882 H CA 0.389 56.387 56.048 -0.084 0.000 1.173 882 H CB -0.202 29.454 29.762 -0.176 0.000 1.420 882 H HN 0.219 nan 8.280 nan 0.000 0.551 883 F N 1.401 121.520 119.950 0.282 0.000 2.664 883 F HA 0.210 4.732 4.527 -0.008 0.000 0.322 883 F C 0.687 176.565 175.800 0.130 0.000 1.324 883 F CA -0.664 57.453 58.000 0.194 0.000 1.154 883 F CB 0.571 39.690 39.000 0.198 0.000 1.236 883 F HN -0.092 nan 8.300 nan 0.000 0.532 884 E N 0.863 121.170 120.200 0.177 0.000 2.299 884 E HA 0.367 4.713 4.350 -0.007 0.000 0.272 884 E C 1.243 177.896 176.600 0.088 0.000 1.043 884 E CA 0.820 57.286 56.400 0.110 0.000 0.895 884 E CB 0.560 30.293 29.700 0.054 0.000 1.011 884 E HN 0.781 nan 8.360 nan 0.000 0.432 885 G N 4.018 112.863 108.800 0.075 0.000 2.241 885 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.244 885 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.244 885 G C 0.271 175.193 174.900 0.037 0.000 0.998 885 G CA 0.191 45.316 45.100 0.041 0.000 0.621 885 G HN 0.493 nan 8.290 nan 0.000 0.519 886 L N 1.278 122.548 121.223 0.077 0.000 2.418 886 L HA 0.490 4.826 4.340 -0.007 0.000 0.265 886 L C -0.440 176.441 176.870 0.019 0.000 1.143 886 L CA -0.711 54.152 54.840 0.038 0.000 0.809 886 L CB 0.597 42.721 42.059 0.108 0.000 1.124 886 L HN -0.012 nan 8.230 nan 0.000 0.456 887 D N 0.253 120.626 120.400 -0.045 0.000 2.280 887 D HA 0.162 4.798 4.640 -0.007 0.000 0.236 887 D C 0.558 176.817 176.300 -0.068 0.000 1.082 887 D CA -0.452 53.528 54.000 -0.034 0.000 0.834 887 D CB 1.715 42.497 40.800 -0.030 0.000 1.100 887 D HN 0.508 nan 8.370 nan 0.000 0.486 888 c N 1.538 120.141 118.600 0.004 0.000 2.401 888 c HA -0.132 4.434 4.570 -0.007 0.000 0.286 888 c C 2.156 176.319 174.090 0.122 0.000 1.332 888 c CA 0.532 56.917 56.329 0.094 0.000 1.795 888 c CB -0.566 41.978 42.510 0.056 0.000 1.922 888 c HN 0.675 nan 8.230 nan 0.000 0.520 889 E N 0.089 120.315 120.200 0.043 0.000 2.338 889 E HA -0.085 4.261 4.350 -0.007 0.000 0.197 889 E C 1.942 178.564 176.600 0.037 0.000 1.007 889 E CA 0.389 56.820 56.400 0.052 0.000 0.849 889 E CB -0.143 29.573 29.700 0.025 0.000 0.774 889 E HN 0.661 nan 8.360 nan 0.000 0.506 890 I N 0.398 120.930 120.570 -0.063 0.000 2.756 890 I HA -0.186 3.980 4.170 -0.007 0.000 0.262 890 I C 0.781 176.914 176.117 0.027 0.000 1.225 890 I CA 0.962 62.218 61.300 -0.073 0.000 1.472 890 I CB 0.016 37.894 38.000 -0.204 0.000 1.094 890 I HN 0.084 nan 8.210 nan 0.000 0.454 891 F N 0.585 120.671 119.950 0.226 0.000 2.804 891 F HA 0.034 4.557 4.527 -0.007 0.000 0.303 891 F C 1.608 177.505 175.800 0.162 0.000 1.154 891 F CA 0.224 58.344 58.000 0.200 0.000 1.401 891 F CB 0.103 39.133 39.000 0.051 0.000 1.106 891 F HN 0.090 nan 8.300 nan 0.000 0.568 892 E N 0.081 120.428 120.200 0.245 0.000 2.630 892 E HA 0.260 4.606 4.350 -0.007 0.000 0.218 892 E C 0.677 177.301 176.600 0.040 0.000 0.977 892 E CA -0.338 56.143 56.400 0.135 0.000 1.038 892 E CB 0.574 30.334 29.700 0.100 0.000 1.051 892 E HN 0.172 nan 8.360 nan 0.000 0.487 893 A N 2.477 125.313 122.820 0.025 0.000 2.587 893 A HA 0.007 4.323 4.320 -0.007 0.000 0.235 893 A C -1.657 175.768 177.584 -0.264 0.000 1.044 893 A CA -0.604 51.352 52.037 -0.134 0.000 0.754 893 A CB 0.058 18.942 19.000 -0.194 0.000 0.968 893 A HN -0.044 nan 8.150 nan 0.000 0.509 894 P HA -0.009 nan 4.420 nan 0.000 0.233 894 P C 0.818 177.858 177.300 -0.433 0.000 1.167 894 P CA 0.888 63.827 63.100 -0.269 0.000 0.770 894 P CB 0.306 31.890 31.700 -0.194 0.000 0.837 895 E N 0.090 119.872 120.200 -0.697 0.000 2.047 895 E HA -0.125 4.221 4.350 -0.007 0.000 0.191 895 E C -0.618 175.315 176.600 -1.111 0.000 0.987 895 E CA 1.737 57.539 56.400 -0.997 0.000 0.799 895 E CB -1.812 27.018 29.700 -1.451 0.000 0.752 895 E HN 0.385 nan 8.360 nan 0.000 0.449 896 P HA -0.093 nan 4.420 nan 0.000 0.221 896 P C 1.054 178.147 177.300 -0.346 0.000 1.150 896 P CA 1.288 63.954 63.100 -0.724 0.000 0.800 896 P CB 0.100 31.402 31.700 -0.663 0.000 0.787 897 M N -1.643 117.762 119.600 -0.325 0.000 2.248 897 M HA -0.052 4.424 4.480 -0.007 0.000 0.265 897 M C 1.901 178.090 176.300 -0.186 0.000 1.079 897 M CA 1.604 56.796 55.300 -0.179 0.000 1.150 897 M CB -1.245 31.275 32.600 -0.133 0.000 1.366 897 M HN -0.100 nan 8.290 nan 0.000 0.433 898 T N 0.906 115.305 114.554 -0.258 0.000 2.720 898 T HA -0.126 4.220 4.350 -0.007 0.000 0.268 898 T C 1.826 176.365 174.700 -0.268 0.000 1.037 898 T CA 1.130 63.075 62.100 -0.257 0.000 1.144 898 T CB -0.089 68.592 68.868 -0.312 0.000 0.864 898 T HN 0.224 nan 8.240 nan 0.000 0.444 899 M N 0.814 120.234 119.600 -0.299 0.000 2.213 899 M HA 0.020 4.496 4.480 -0.007 0.000 0.263 899 M C 2.563 178.773 176.300 -0.151 0.000 1.062 899 M CA 1.099 56.257 55.300 -0.236 0.000 1.105 899 M CB -1.119 31.385 32.600 -0.160 0.000 1.385 899 M HN 0.322 nan 8.290 nan 0.000 0.417 900 A N -0.765 121.986 122.820 -0.116 0.000 1.943 900 A HA -0.032 4.284 4.320 -0.007 0.000 0.213 900 A C 2.055 179.607 177.584 -0.053 0.000 1.181 900 A CA 0.568 52.569 52.037 -0.060 0.000 0.653 900 A CB -0.548 18.433 19.000 -0.030 0.000 0.833 900 A HN 0.365 nan 8.150 nan 0.000 0.451 901 L N 0.347 121.536 121.223 -0.055 0.000 1.994 901 L HA -0.087 4.249 4.340 -0.007 0.000 0.208 901 L C 2.521 179.386 176.870 -0.009 0.000 1.071 901 L CA 2.557 57.391 54.840 -0.011 0.000 0.745 901 L CB -0.968 41.096 42.059 0.009 0.000 0.892 901 L HN 0.316 nan 8.230 nan 0.000 0.431 902 S N -1.109 114.568 115.700 -0.039 0.000 2.374 902 S HA -0.204 4.262 4.470 -0.007 0.000 0.227 902 S C 2.044 176.603 174.600 -0.068 0.000 1.037 902 S CA 1.464 59.606 58.200 -0.097 0.000 1.024 902 S CB -0.573 62.427 63.200 -0.333 0.000 0.861 902 S HN 0.340 nan 8.310 nan 0.000 0.456 903 V N 1.521 121.393 119.914 -0.070 0.000 2.407 903 V HA -0.133 3.983 4.120 -0.007 0.000 0.248 903 V C 2.146 178.231 176.094 -0.014 0.000 1.055 903 V CA 1.386 63.665 62.300 -0.035 0.000 1.049 903 V CB -0.582 31.209 31.823 -0.053 0.000 0.662 903 V HN 0.320 nan 8.190 nan 0.000 0.455 904 L N -0.136 121.073 121.223 -0.024 0.000 1.921 904 L HA -0.142 4.194 4.340 -0.007 0.000 0.219 904 L C 2.387 179.250 176.870 -0.012 0.000 1.081 904 L CA 2.077 56.908 54.840 -0.016 0.000 0.771 904 L CB -0.948 41.102 42.059 -0.015 0.000 0.888 904 L HN 0.118 nan 8.230 nan 0.000 0.433 905 V N -0.291 119.605 119.914 -0.031 0.000 2.240 905 V HA -0.497 3.619 4.120 -0.007 0.000 0.257 905 V C 2.435 178.523 176.094 -0.010 0.000 1.067 905 V CA 2.775 65.047 62.300 -0.046 0.000 1.067 905 V CB -1.383 30.332 31.823 -0.181 0.000 0.683 905 V HN 0.679 nan 8.190 nan 0.000 0.461 906 T N -0.699 113.855 114.554 -0.001 0.000 2.897 906 T HA -0.075 4.271 4.350 -0.007 0.000 0.271 906 T C 1.620 176.359 174.700 0.065 0.000 1.084 906 T CA 1.444 63.577 62.100 0.056 0.000 1.123 906 T CB -0.245 68.694 68.868 0.119 0.000 0.865 906 T HN 0.384 nan 8.240 nan 0.000 0.496 907 I N 0.098 120.703 120.570 0.058 0.000 2.703 907 I HA -0.010 4.156 4.170 -0.007 0.000 0.259 907 I C 2.433 178.596 176.117 0.078 0.000 1.151 907 I CA 0.725 62.072 61.300 0.078 0.000 1.470 907 I CB 0.020 38.075 38.000 0.093 0.000 1.112 907 I HN 0.091 nan 8.210 nan 0.000 0.437 908 E N 0.483 120.720 120.200 0.061 0.000 2.076 908 E HA -0.114 4.232 4.350 -0.007 0.000 0.190 908 E C 2.200 178.928 176.600 0.213 0.000 0.979 908 E CA 1.033 57.491 56.400 0.098 0.000 0.807 908 E CB -0.134 29.571 29.700 0.009 0.000 0.761 908 E HN 0.294 nan 8.360 nan 0.000 0.454 909 M N 0.393 120.069 119.600 0.127 0.000 2.159 909 M HA -0.141 4.335 4.480 -0.007 0.000 0.263 909 M C 2.552 178.904 176.300 0.086 0.000 1.063 909 M CA 0.852 56.213 55.300 0.101 0.000 1.110 909 M CB -1.455 31.182 32.600 0.061 0.000 1.374 909 M HN 0.207 nan 8.290 nan 0.000 0.411 910 C N 0.824 120.175 119.300 0.084 0.000 2.462 910 C HA -0.142 4.314 4.460 -0.007 0.000 0.278 910 C C 2.627 177.662 174.990 0.075 0.000 1.253 910 C CA 1.431 60.488 59.018 0.066 0.000 1.713 910 C CB -1.136 26.640 27.740 0.060 0.000 2.049 910 C HN 0.634 nan 8.230 nan 0.000 0.477 911 N N 0.576 119.348 118.700 0.120 0.000 2.520 911 N HA 0.003 4.739 4.740 -0.007 0.000 0.185 911 N C 1.557 177.193 175.510 0.211 0.000 1.068 911 N CA 1.316 54.456 53.050 0.151 0.000 0.911 911 N CB -0.169 38.411 38.487 0.156 0.000 0.961 911 N HN 0.554 nan 8.380 nan 0.000 0.446 912 A N 0.525 123.460 122.820 0.191 0.000 1.902 912 A HA -0.078 4.238 4.320 -0.007 0.000 0.217 912 A C 2.177 179.682 177.584 -0.132 0.000 1.181 912 A CA 1.010 52.947 52.037 -0.165 0.000 0.623 912 A CB -0.674 18.203 19.000 -0.207 0.000 0.818 912 A HN 0.365 nan 8.150 nan 0.000 0.443 913 L N -0.193 121.004 121.223 -0.044 0.000 2.046 913 L HA -0.217 4.120 4.340 -0.007 0.000 0.208 913 L C 2.167 179.013 176.870 -0.039 0.000 1.077 913 L CA 1.525 56.337 54.840 -0.045 0.000 0.747 913 L CB -0.994 41.049 42.059 -0.025 0.000 0.896 913 L HN 0.484 nan 8.230 nan 0.000 0.432 914 N N -0.094 118.601 118.700 -0.007 0.000 2.272 914 N HA -0.132 4.604 4.740 -0.007 0.000 0.185 914 N C 1.333 176.845 175.510 0.003 0.000 1.014 914 N CA 1.178 54.231 53.050 0.005 0.000 0.870 914 N CB -0.053 38.451 38.487 0.028 0.000 0.975 914 N HN 0.229 nan 8.380 nan 0.000 0.433 915 S N 0.726 116.416 115.700 -0.016 0.000 2.743 915 S HA 0.215 4.681 4.470 -0.007 0.000 0.230 915 S C 1.632 176.195 174.600 -0.063 0.000 0.950 915 S CA -0.206 57.973 58.200 -0.035 0.000 0.976 915 S CB 0.115 63.260 63.200 -0.091 0.000 0.779 915 S HN 0.271 nan 8.310 nan 0.000 0.487 916 L N 0.204 121.396 121.223 -0.053 0.000 2.162 916 L HA 0.172 4.508 4.340 -0.007 0.000 0.205 916 L C 1.059 177.909 176.870 -0.033 0.000 1.086 916 L CA 0.668 55.477 54.840 -0.052 0.000 0.778 916 L CB 0.163 42.183 42.059 -0.065 0.000 0.928 916 L HN 0.276 nan 8.230 nan 0.000 0.446 917 S N -1.406 114.282 115.700 -0.021 0.000 2.548 917 S HA 0.115 4.582 4.470 -0.007 0.000 0.276 917 S C 0.461 175.072 174.600 0.018 0.000 1.129 917 S CA -0.709 57.488 58.200 -0.005 0.000 0.931 917 S CB 1.843 65.036 63.200 -0.011 0.000 1.068 917 S HN 0.266 nan 8.310 nan 0.000 0.480 918 E N 2.938 123.156 120.200 0.031 0.000 2.160 918 E HA -0.157 4.189 4.350 -0.007 0.000 0.195 918 E C 0.589 177.244 176.600 0.091 0.000 0.991 918 E CA 1.774 58.212 56.400 0.064 0.000 0.810 918 E CB 0.055 29.799 29.700 0.072 0.000 0.742 918 E HN 0.738 nan 8.360 nan 0.000 0.466 919 N N -1.393 117.348 118.700 0.068 0.000 2.008 919 N HA 0.024 4.760 4.740 -0.007 0.000 0.228 919 N C -1.021 174.517 175.510 0.046 0.000 1.375 919 N CA -0.232 52.864 53.050 0.076 0.000 0.856 919 N CB 0.847 39.378 38.487 0.072 0.000 1.096 919 N HN -0.098 nan 8.380 nan 0.000 0.489 920 Q N 1.354 121.168 119.800 0.023 0.000 2.323 920 Q HA 0.157 4.493 4.340 -0.007 0.000 0.257 920 Q C 0.069 176.069 176.000 -0.001 0.000 1.022 920 Q CA 0.051 55.857 55.803 0.005 0.000 0.919 920 Q CB 1.036 29.767 28.738 -0.011 0.000 1.220 920 Q HN 0.176 nan 8.270 nan 0.000 0.427 921 S N 2.014 117.721 115.700 0.010 0.000 2.536 921 S HA -0.124 4.342 4.470 -0.007 0.000 0.290 921 S C 1.177 175.755 174.600 -0.036 0.000 1.302 921 S CA -0.359 57.845 58.200 0.007 0.000 1.037 921 S CB 0.431 63.646 63.200 0.024 0.000 0.804 921 S HN 0.537 nan 8.310 nan 0.000 0.506 922 L N 3.839 125.035 121.223 -0.045 0.000 2.456 922 L HA -0.041 4.295 4.340 -0.007 0.000 0.224 922 L C 2.274 179.063 176.870 -0.135 0.000 1.148 922 L CA 1.062 55.843 54.840 -0.098 0.000 0.825 922 L CB -0.579 41.433 42.059 -0.077 0.000 0.937 922 L HN 0.665 nan 8.230 nan 0.000 0.450 923 M N -0.992 118.564 119.600 -0.074 0.000 2.074 923 M HA -0.096 4.380 4.480 -0.007 0.000 0.259 923 M C 2.253 178.501 176.300 -0.086 0.000 1.079 923 M CA 1.460 56.725 55.300 -0.059 0.000 1.119 923 M CB -0.942 31.655 32.600 -0.003 0.000 1.297 923 M HN 0.142 nan 8.290 nan 0.000 0.416 924 R N 0.776 121.242 120.500 -0.056 0.000 2.256 924 R HA -0.074 4.262 4.340 -0.007 0.000 0.216 924 R C 1.176 177.409 176.300 -0.111 0.000 1.080 924 R CA 1.170 57.238 56.100 -0.054 0.000 0.848 924 R CB -1.319 28.962 30.300 -0.032 0.000 0.794 924 R HN 0.439 nan 8.270 nan 0.000 0.438 925 M N 3.722 123.248 119.600 -0.124 0.000 2.266 925 M HA 0.164 4.640 4.480 -0.007 0.000 0.340 925 M C -1.952 174.157 176.300 -0.318 0.000 1.486 925 M CA -1.395 53.793 55.300 -0.187 0.000 1.209 925 M CB 0.841 33.368 32.600 -0.122 0.000 1.714 925 M HN 0.028 nan 8.290 nan 0.000 0.459 926 P HA 0.195 nan 4.420 nan 0.000 0.276 926 P C -2.201 174.636 177.300 -0.771 0.000 1.252 926 P CA -1.305 61.200 63.100 -0.992 0.000 0.802 926 P CB -0.004 30.259 31.700 -2.394 0.000 1.035 927 P HA -0.156 nan 4.420 nan 0.000 0.217 927 P C 1.018 178.283 177.300 -0.057 0.000 1.148 927 P CA 1.907 64.907 63.100 -0.167 0.000 0.834 927 P CB -0.489 31.217 31.700 0.011 0.000 0.783 928 W N -1.378 119.931 121.300 0.014 0.000 3.256 928 W HA 0.297 4.953 4.660 -0.007 0.000 0.269 928 W C 1.436 177.972 176.519 0.027 0.000 1.310 928 W CA -0.279 57.076 57.345 0.017 0.000 1.673 928 W CB -1.647 27.819 29.460 0.010 0.000 1.115 928 W HN -0.337 nan 8.180 nan 0.000 0.686 929 V N 2.114 121.933 119.914 -0.159 0.000 2.233 929 V HA -0.299 3.817 4.120 -0.007 0.000 0.247 929 V C 1.344 177.477 176.094 0.065 0.000 1.050 929 V CA 2.137 64.409 62.300 -0.046 0.000 1.010 929 V CB -0.928 30.814 31.823 -0.134 0.000 0.637 929 V HN 0.301 nan 8.190 nan 0.000 0.444 930 N N 0.373 119.104 118.700 0.052 0.000 2.444 930 N HA 0.129 4.865 4.740 -0.007 0.000 0.271 930 N C 0.394 175.995 175.510 0.153 0.000 1.069 930 N CA -0.060 53.057 53.050 0.113 0.000 0.965 930 N CB 1.297 39.839 38.487 0.092 0.000 1.092 930 N HN 0.071 nan 8.380 nan 0.000 0.476 931 I N 2.010 122.707 120.570 0.211 0.000 2.927 931 I HA 0.018 4.184 4.170 -0.007 0.000 0.268 931 I C 1.331 177.556 176.117 0.181 0.000 1.153 931 I CA 0.317 61.725 61.300 0.181 0.000 1.459 931 I CB -1.075 37.030 38.000 0.174 0.000 1.149 931 I HN 0.536 nan 8.210 nan 0.000 0.443 932 W N 1.181 122.532 121.300 0.086 0.000 2.721 932 W HA -0.088 4.569 4.660 -0.006 0.000 0.245 932 W C 2.241 178.830 176.519 0.118 0.000 1.276 932 W CA 0.552 57.974 57.345 0.129 0.000 1.342 932 W CB -0.397 29.214 29.460 0.253 0.000 1.135 932 W HN 0.083 nan 8.180 nan 0.000 0.654 933 L N -0.166 121.204 121.223 0.244 0.000 2.084 933 L HA -0.027 4.309 4.340 -0.007 0.000 0.202 933 L C 2.102 179.004 176.870 0.053 0.000 1.074 933 L CA 1.807 56.712 54.840 0.108 0.000 0.757 933 L CB -1.115 40.977 42.059 0.055 0.000 0.918 933 L HN -0.093 nan 8.230 nan 0.000 0.444 934 L N -0.398 120.855 121.223 0.051 0.000 2.129 934 L HA -0.164 4.172 4.340 -0.007 0.000 0.212 934 L C 2.472 179.334 176.870 -0.013 0.000 1.087 934 L CA 1.252 56.106 54.840 0.023 0.000 0.757 934 L CB -1.681 40.401 42.059 0.039 0.000 0.896 934 L HN 0.502 nan 8.230 nan 0.000 0.434 935 G N 0.413 109.188 108.800 -0.042 0.000 2.421 935 G HA2 -0.279 3.677 3.960 -0.007 0.000 0.216 935 G HA3 -0.279 3.677 3.960 -0.007 0.000 0.216 935 G C 1.785 176.651 174.900 -0.057 0.000 1.171 935 G CA 1.072 46.110 45.100 -0.103 0.000 0.775 935 G HN 0.519 nan 8.290 nan 0.000 0.543 936 S N 1.212 116.905 115.700 -0.012 0.000 2.348 936 S HA -0.121 4.345 4.470 -0.007 0.000 0.221 936 S C 2.268 176.871 174.600 0.005 0.000 1.033 936 S CA 1.198 59.400 58.200 0.003 0.000 1.010 936 S CB -0.393 62.818 63.200 0.018 0.000 0.891 936 S HN 0.140 nan 8.310 nan 0.000 0.442 937 I N 2.421 122.994 120.570 0.006 0.000 2.113 937 I HA -0.245 3.921 4.170 -0.007 0.000 0.242 937 I C 2.698 178.824 176.117 0.015 0.000 1.057 937 I CA 0.825 62.133 61.300 0.014 0.000 1.314 937 I CB -2.068 35.939 38.000 0.011 0.000 1.022 937 I HN 0.419 nan 8.210 nan 0.000 0.408 938 C N -0.132 119.164 119.300 -0.006 0.000 2.450 938 C HA -0.043 4.413 4.460 -0.007 0.000 0.279 938 C C 2.761 177.750 174.990 -0.002 0.000 1.335 938 C CA -0.127 58.880 59.018 -0.018 0.000 1.749 938 C CB -1.037 26.674 27.740 -0.047 0.000 1.963 938 C HN 0.498 nan 8.230 nan 0.000 0.501 939 L N 1.116 122.338 121.223 -0.000 0.000 2.141 939 L HA -0.038 4.299 4.340 -0.007 0.000 0.209 939 L C 2.466 179.373 176.870 0.062 0.000 1.094 939 L CA 1.776 56.626 54.840 0.017 0.000 0.763 939 L CB -0.799 41.260 42.059 -0.001 0.000 0.908 939 L HN 0.200 nan 8.230 nan 0.000 0.437 940 S N -0.789 114.948 115.700 0.062 0.000 2.338 940 S HA -0.144 4.323 4.470 -0.007 0.000 0.218 940 S C 1.920 176.620 174.600 0.167 0.000 1.032 940 S CA 1.696 59.953 58.200 0.095 0.000 0.999 940 S CB -0.226 63.013 63.200 0.065 0.000 0.905 940 S HN 0.382 nan 8.310 nan 0.000 0.439 941 M N 1.318 121.010 119.600 0.154 0.000 2.082 941 M HA -0.093 4.384 4.480 -0.007 0.000 0.258 941 M C 2.498 179.018 176.300 0.367 0.000 1.069 941 M CA 1.319 56.783 55.300 0.272 0.000 1.102 941 M CB -1.812 30.899 32.600 0.185 0.000 1.336 941 M HN 0.354 nan 8.290 nan 0.000 0.404 942 S N 0.565 116.369 115.700 0.173 0.000 2.374 942 S HA -0.113 4.353 4.470 -0.007 0.000 0.227 942 S C 1.868 176.590 174.600 0.204 0.000 1.037 942 S CA 1.121 59.395 58.200 0.124 0.000 1.024 942 S CB -0.173 63.048 63.200 0.035 0.000 0.861 942 S HN 0.484 nan 8.310 nan 0.000 0.456 943 L N 0.109 121.464 121.223 0.220 0.000 2.552 943 L HA 0.048 4.384 4.340 -0.007 0.000 0.227 943 L C 2.193 179.238 176.870 0.291 0.000 1.146 943 L CA 0.765 55.755 54.840 0.249 0.000 0.858 943 L CB -0.425 41.798 42.059 0.274 0.000 0.969 943 L HN 0.447 nan 8.230 nan 0.000 0.451 944 H N 0.223 119.426 119.070 0.222 0.000 2.266 944 H HA -0.086 4.466 4.556 -0.007 0.000 0.308 944 H C 1.966 177.388 175.328 0.157 0.000 1.057 944 H CA 1.712 57.856 56.048 0.160 0.000 1.330 944 H CB -0.284 29.569 29.762 0.152 0.000 1.400 944 H HN 0.082 nan 8.280 nan 0.000 0.503 945 F N -0.118 119.926 119.950 0.157 0.000 2.225 945 F HA -0.200 4.323 4.527 -0.006 0.000 0.302 945 F C 2.416 178.252 175.800 0.060 0.000 1.068 945 F CA 0.820 58.860 58.000 0.067 0.000 1.327 945 F CB -0.405 38.529 39.000 -0.110 0.000 1.043 945 F HN 0.213 nan 8.300 nan 0.000 0.506 946 L N 0.517 121.875 121.223 0.225 0.000 1.976 946 L HA -0.220 4.116 4.340 -0.007 0.000 0.209 946 L C 2.233 179.175 176.870 0.120 0.000 1.071 946 L CA 1.799 56.732 54.840 0.155 0.000 0.746 946 L CB -0.602 41.539 42.059 0.137 0.000 0.890 946 L HN 0.081 nan 8.230 nan 0.000 0.432 947 I N -0.822 119.768 120.570 0.035 0.000 2.335 947 I HA -0.327 3.839 4.170 -0.007 0.000 0.251 947 I C 2.360 178.456 176.117 -0.036 0.000 1.129 947 I CA 1.246 62.515 61.300 -0.051 0.000 1.402 947 I CB -0.434 37.415 38.000 -0.251 0.000 1.069 947 I HN 0.359 nan 8.210 nan 0.000 0.424 948 L N -0.697 120.522 121.223 -0.006 0.000 2.072 948 L HA -0.195 4.141 4.340 -0.007 0.000 0.205 948 L C 2.238 179.137 176.870 0.047 0.000 1.079 948 L CA 1.598 56.444 54.840 0.011 0.000 0.752 948 L CB -0.556 41.562 42.059 0.099 0.000 0.906 948 L HN 0.225 nan 8.230 nan 0.000 0.436 949 Y N -1.276 119.032 120.300 0.013 0.000 2.458 949 Y HA 0.146 4.692 4.550 -0.006 0.000 0.254 949 Y C 0.955 176.872 175.900 0.029 0.000 1.120 949 Y CA -0.694 57.430 58.100 0.040 0.000 1.282 949 Y CB -0.079 38.431 38.460 0.084 0.000 1.109 949 Y HN -0.238 nan 8.280 nan 0.000 0.526 950 V N 2.435 122.451 119.914 0.168 0.000 2.352 950 V HA -0.023 4.093 4.120 -0.007 0.000 0.253 950 V C 0.997 177.124 176.094 0.054 0.000 1.083 950 V CA -0.200 62.160 62.300 0.100 0.000 0.993 950 V CB -0.067 31.807 31.823 0.085 0.000 1.111 950 V HN 0.326 nan 8.190 nan 0.000 0.490 951 D N 6.975 127.400 120.400 0.042 0.000 3.818 951 D HA -0.271 4.365 4.640 -0.007 0.000 0.506 951 D C -0.739 175.563 176.300 0.003 0.000 1.227 951 D CA 2.937 56.946 54.000 0.016 0.000 1.422 951 D CB -0.746 40.064 40.800 0.016 0.000 0.651 951 D HN 0.480 nan 8.370 nan 0.000 0.626 952 P HA -0.007 nan 4.420 nan 0.000 0.222 952 P C 1.534 178.824 177.300 -0.017 0.000 1.147 952 P CA 0.949 64.042 63.100 -0.013 0.000 0.790 952 P CB -0.080 31.612 31.700 -0.013 0.000 0.780 953 L N -0.619 120.610 121.223 0.009 0.000 2.023 953 L HA -0.012 4.324 4.340 -0.007 0.000 0.205 953 L C -0.329 176.581 176.870 0.066 0.000 1.073 953 L CA 1.619 56.488 54.840 0.049 0.000 0.745 953 L CB -2.327 39.774 42.059 0.070 0.000 0.900 953 L HN -0.024 nan 8.230 nan 0.000 0.435 954 P HA -0.245 nan 4.420 nan 0.000 0.217 954 P C 1.874 179.167 177.300 -0.011 0.000 1.151 954 P CA 1.722 64.816 63.100 -0.011 0.000 0.849 954 P CB -0.049 31.619 31.700 -0.054 0.000 0.787 955 M N -0.616 118.969 119.600 -0.025 0.000 2.123 955 M HA -0.087 4.389 4.480 -0.007 0.000 0.263 955 M C 1.986 178.251 176.300 -0.059 0.000 1.069 955 M CA 1.858 57.133 55.300 -0.041 0.000 1.133 955 M CB -0.547 32.026 32.600 -0.044 0.000 1.356 955 M HN -0.120 nan 8.290 nan 0.000 0.415 956 I N -3.296 117.219 120.570 -0.092 0.000 2.676 956 I HA -0.165 4.001 4.170 -0.007 0.000 0.259 956 I C 1.226 177.167 176.117 -0.293 0.000 1.194 956 I CA 1.291 62.471 61.300 -0.199 0.000 1.473 956 I CB -0.672 37.165 38.000 -0.271 0.000 1.096 956 I HN 0.112 nan 8.210 nan 0.000 0.443 957 F N 1.588 121.470 119.950 -0.113 0.000 2.695 957 F HA 0.326 4.849 4.527 -0.007 0.000 0.303 957 F C 0.539 176.279 175.800 -0.100 0.000 1.091 957 F CA -0.400 57.529 58.000 -0.117 0.000 1.300 957 F CB 0.348 39.256 39.000 -0.154 0.000 1.071 957 F HN -0.086 nan 8.300 nan 0.000 0.578 958 K N 1.707 122.137 120.400 0.051 0.000 3.619 958 K HA -0.174 4.142 4.320 -0.007 0.000 0.275 958 K C -1.052 175.527 176.600 -0.034 0.000 0.993 958 K CA 0.239 56.524 56.287 -0.004 0.000 0.787 958 K CB -1.577 30.920 32.500 -0.005 0.000 1.431 958 K HN 0.291 nan 8.250 nan 0.000 0.451 959 L N -0.385 120.805 121.223 -0.055 0.000 2.397 959 L HA 0.619 4.955 4.340 -0.007 0.000 0.251 959 L C -0.748 176.032 176.870 -0.149 0.000 1.064 959 L CA -1.204 53.564 54.840 -0.119 0.000 0.859 959 L CB 2.443 44.426 42.059 -0.128 0.000 1.468 959 L HN 0.067 nan 8.230 nan 0.000 0.411 960 K N 0.289 120.568 120.400 -0.201 0.000 2.557 960 K HA 0.661 4.977 4.320 -0.007 0.000 0.257 960 K C -0.908 175.539 176.600 -0.254 0.000 0.933 960 K CA -0.466 55.692 56.287 -0.214 0.000 0.820 960 K CB 2.151 34.534 32.500 -0.194 0.000 1.330 960 K HN 0.682 nan 8.250 nan 0.000 0.432 961 A N 3.503 126.133 122.820 -0.317 0.000 2.613 961 A HA 0.065 4.381 4.320 -0.007 0.000 0.230 961 A C -0.375 177.106 177.584 -0.172 0.000 1.051 961 A CA 0.500 52.333 52.037 -0.340 0.000 0.754 961 A CB -0.122 18.487 19.000 -0.650 0.000 0.979 961 A HN 0.619 nan 8.150 nan 0.000 0.510 962 L N 1.873 123.053 121.223 -0.073 0.000 2.309 962 L HA 0.338 4.674 4.340 -0.007 0.000 0.282 962 L C 0.237 177.184 176.870 0.128 0.000 1.036 962 L CA -0.906 53.842 54.840 -0.153 0.000 0.806 962 L CB 1.593 43.239 42.059 -0.689 0.000 1.220 962 L HN 0.993 nan 8.230 nan 0.000 0.429 963 D N 1.556 122.026 120.400 0.118 0.000 2.398 963 D HA 0.067 4.703 4.640 -0.007 0.000 0.247 963 D C 0.924 177.408 176.300 0.307 0.000 1.227 963 D CA -0.559 53.571 54.000 0.216 0.000 0.980 963 D CB 0.885 41.778 40.800 0.154 0.000 1.106 963 D HN 0.281 nan 8.370 nan 0.000 0.493 964 L N 0.411 121.806 121.223 0.287 0.000 1.944 964 L HA -0.173 4.163 4.340 -0.007 0.000 0.218 964 L C 2.122 179.148 176.870 0.260 0.000 1.075 964 L CA 2.691 57.705 54.840 0.289 0.000 0.767 964 L CB -1.558 40.617 42.059 0.194 0.000 0.890 964 L HN 0.709 nan 8.230 nan 0.000 0.434 965 T N -0.703 113.970 114.554 0.198 0.000 2.822 965 T HA -0.259 4.087 4.350 -0.007 0.000 0.270 965 T C 1.772 176.585 174.700 0.188 0.000 1.064 965 T CA 1.774 63.983 62.100 0.181 0.000 1.131 965 T CB -0.359 68.618 68.868 0.180 0.000 0.858 965 T HN 0.525 nan 8.240 nan 0.000 0.483 966 Q N -0.369 119.547 119.800 0.193 0.000 1.994 966 Q HA -0.058 4.278 4.340 -0.007 0.000 0.198 966 Q C 2.201 178.213 176.000 0.021 0.000 0.976 966 Q CA 1.314 57.190 55.803 0.121 0.000 0.828 966 Q CB -0.286 28.488 28.738 0.060 0.000 0.894 966 Q HN 0.621 nan 8.270 nan 0.000 0.432 967 W N 0.790 122.137 121.300 0.078 0.000 2.325 967 W HA -0.223 4.433 4.660 -0.006 0.000 0.299 967 W C 2.025 178.561 176.519 0.029 0.000 1.215 967 W CA 0.180 57.562 57.345 0.061 0.000 1.244 967 W CB -0.228 29.300 29.460 0.113 0.000 1.140 967 W HN 0.197 nan 8.180 nan 0.000 0.523 968 L N -0.233 121.152 121.223 0.271 0.000 2.127 968 L HA -0.224 4.113 4.340 -0.007 0.000 0.211 968 L C 2.209 179.102 176.870 0.039 0.000 1.089 968 L CA 1.856 56.784 54.840 0.146 0.000 0.757 968 L CB -0.907 41.225 42.059 0.122 0.000 0.899 968 L HN 0.042 nan 8.230 nan 0.000 0.434 969 M N -2.061 117.510 119.600 -0.049 0.000 2.248 969 M HA -0.028 4.448 4.480 -0.007 0.000 0.265 969 M C 2.083 178.271 176.300 -0.186 0.000 1.079 969 M CA 1.336 56.483 55.300 -0.255 0.000 1.150 969 M CB -0.422 31.794 32.600 -0.640 0.000 1.366 969 M HN 0.008 nan 8.290 nan 0.000 0.433 970 V N 0.656 120.511 119.914 -0.099 0.000 2.317 970 V HA -0.337 3.779 4.120 -0.007 0.000 0.251 970 V C 2.400 178.522 176.094 0.047 0.000 1.065 970 V CA 2.122 64.401 62.300 -0.034 0.000 1.049 970 V CB -1.056 30.778 31.823 0.018 0.000 0.651 970 V HN 0.509 nan 8.190 nan 0.000 0.450 971 L N -0.830 120.454 121.223 0.102 0.000 2.044 971 L HA -0.143 4.193 4.340 -0.007 0.000 0.205 971 L C 2.578 179.471 176.870 0.039 0.000 1.075 971 L CA 1.574 56.469 54.840 0.092 0.000 0.747 971 L CB -0.636 41.487 42.059 0.106 0.000 0.903 971 L HN 0.235 nan 8.230 nan 0.000 0.435 972 K N -0.025 120.374 120.400 -0.001 0.000 2.160 972 K HA -0.174 4.142 4.320 -0.007 0.000 0.206 972 K C 1.936 178.529 176.600 -0.011 0.000 1.047 972 K CA 1.105 57.378 56.287 -0.023 0.000 0.930 972 K CB -0.049 32.407 32.500 -0.073 0.000 0.720 972 K HN 0.228 nan 8.250 nan 0.000 0.450 973 I N 0.405 120.959 120.570 -0.026 0.000 2.480 973 I HA -0.114 4.052 4.170 -0.007 0.000 0.251 973 I C 1.903 178.096 176.117 0.126 0.000 1.124 973 I CA 1.264 62.571 61.300 0.011 0.000 1.444 973 I CB -0.743 37.215 38.000 -0.071 0.000 1.098 973 I HN -0.006 nan 8.210 nan 0.000 0.428 974 S N 0.948 116.706 115.700 0.097 0.000 2.404 974 S HA 0.103 4.569 4.470 -0.007 0.000 0.223 974 S C 2.105 176.765 174.600 0.102 0.000 1.040 974 S CA 0.378 58.656 58.200 0.131 0.000 0.957 974 S CB -0.211 63.046 63.200 0.095 0.000 0.826 974 S HN 0.282 nan 8.310 nan 0.000 0.491 975 L N 1.628 122.889 121.223 0.062 0.000 1.997 975 L HA -0.144 4.192 4.340 -0.007 0.000 0.216 975 L C -0.900 175.958 176.870 -0.019 0.000 1.074 975 L CA 1.603 56.459 54.840 0.026 0.000 0.763 975 L CB -2.099 39.972 42.059 0.021 0.000 0.890 975 L HN 0.225 nan 8.230 nan 0.000 0.434 976 P HA -0.140 nan 4.420 nan 0.000 0.223 976 P C 1.825 178.931 177.300 -0.322 0.000 1.144 976 P CA 0.834 63.851 63.100 -0.139 0.000 0.783 976 P CB -0.010 31.631 31.700 -0.098 0.000 0.771 977 V N -0.535 119.184 119.914 -0.325 0.000 2.469 977 V HA -0.253 3.863 4.120 -0.007 0.000 0.251 977 V C 1.964 177.945 176.094 -0.188 0.000 1.064 977 V CA 1.588 63.675 62.300 -0.355 0.000 1.066 977 V CB -0.817 30.952 31.823 -0.090 0.000 0.667 977 V HN 0.001 nan 8.190 nan 0.000 0.461 978 I N 0.294 120.799 120.570 -0.109 0.000 2.072 978 I HA -0.134 4.032 4.170 -0.007 0.000 0.235 978 I C 2.706 178.777 176.117 -0.078 0.000 1.058 978 I CA 1.748 63.010 61.300 -0.065 0.000 1.320 978 I CB -1.324 36.656 38.000 -0.033 0.000 1.047 978 I HN 0.395 nan 8.210 nan 0.000 0.397 979 G N 1.116 109.865 108.800 -0.085 0.000 2.550 979 G HA2 -0.309 3.647 3.960 -0.007 0.000 0.222 979 G HA3 -0.309 3.647 3.960 -0.007 0.000 0.222 979 G C 1.623 176.463 174.900 -0.100 0.000 1.113 979 G CA 1.216 46.268 45.100 -0.080 0.000 0.748 979 G HN 0.295 nan 8.290 nan 0.000 0.585 980 L N 0.735 121.858 121.223 -0.166 0.000 1.988 980 L HA 0.069 4.405 4.340 -0.007 0.000 0.207 980 L C 2.186 178.997 176.870 -0.098 0.000 1.071 980 L CA 2.691 57.425 54.840 -0.176 0.000 0.744 980 L CB -0.897 40.965 42.059 -0.327 0.000 0.893 980 L HN 0.163 nan 8.230 nan 0.000 0.433 981 D N -0.711 119.635 120.400 -0.091 0.000 2.123 981 D HA -0.230 4.406 4.640 -0.007 0.000 0.196 981 D C 2.090 178.403 176.300 0.022 0.000 0.992 981 D CA 1.111 55.092 54.000 -0.033 0.000 0.833 981 D CB 0.056 40.840 40.800 -0.026 0.000 0.954 981 D HN 0.413 nan 8.370 nan 0.000 0.455 982 E N -0.051 120.155 120.200 0.009 0.000 2.130 982 E HA -0.129 4.217 4.350 -0.007 0.000 0.196 982 E C 2.143 178.795 176.600 0.086 0.000 0.998 982 E CA 0.771 57.198 56.400 0.045 0.000 0.806 982 E CB -0.280 29.430 29.700 0.016 0.000 0.738 982 E HN 0.429 nan 8.360 nan 0.000 0.459 983 I N -0.352 120.243 120.570 0.041 0.000 2.394 983 I HA -0.242 3.924 4.170 -0.007 0.000 0.251 983 I C 1.574 177.788 176.117 0.162 0.000 1.136 983 I CA 0.382 61.709 61.300 0.045 0.000 1.425 983 I CB -0.067 37.920 38.000 -0.022 0.000 1.079 983 I HN 0.157 nan 8.210 nan 0.000 0.425 984 L N 0.483 121.806 121.223 0.167 0.000 2.044 984 L HA -0.137 4.199 4.340 -0.007 0.000 0.205 984 L C 2.352 179.447 176.870 0.375 0.000 1.075 984 L CA 1.716 56.729 54.840 0.289 0.000 0.747 984 L CB -0.810 41.348 42.059 0.164 0.000 0.903 984 L HN 0.052 nan 8.230 nan 0.000 0.435 985 K N -1.031 119.528 120.400 0.264 0.000 2.044 985 K HA -0.248 4.068 4.320 -0.007 0.000 0.210 985 K C 2.173 178.913 176.600 0.233 0.000 1.049 985 K CA 1.929 58.358 56.287 0.236 0.000 0.927 985 K CB -0.502 32.090 32.500 0.154 0.000 0.713 985 K HN 0.166 nan 8.250 nan 0.000 0.443 986 F N 1.848 121.854 119.950 0.093 0.000 2.095 986 F HA -0.265 4.258 4.527 -0.006 0.000 0.298 986 F C 1.894 177.739 175.800 0.075 0.000 1.104 986 F CA 1.190 59.231 58.000 0.069 0.000 1.232 986 F CB -0.017 39.013 39.000 0.051 0.000 0.987 986 F HN -0.095 nan 8.300 nan 0.000 0.475 987 I N 1.061 121.917 120.570 0.477 0.000 2.194 987 I HA -0.279 3.887 4.170 -0.007 0.000 0.246 987 I C 2.312 178.458 176.117 0.048 0.000 1.093 987 I CA 1.632 63.108 61.300 0.294 0.000 1.355 987 I CB -2.137 36.042 38.000 0.298 0.000 1.046 987 I HN 0.293 nan 8.210 nan 0.000 0.413 988 A N 0.747 123.594 122.820 0.045 0.000 2.411 988 A HA 0.109 4.425 4.320 -0.007 0.000 0.251 988 A C 1.764 179.293 177.584 -0.091 0.000 1.317 988 A CA -0.084 51.877 52.037 -0.127 0.000 0.904 988 A CB -0.442 18.563 19.000 0.009 0.000 0.993 988 A HN 0.609 nan 8.150 nan 0.000 0.504 989 R N -2.901 117.529 120.500 -0.116 0.000 2.702 989 R HA 0.225 4.561 4.340 -0.007 0.000 0.223 989 R C 0.335 176.513 176.300 -0.205 0.000 0.953 989 R CA -0.015 56.001 56.100 -0.140 0.000 1.068 989 R CB -0.063 30.169 30.300 -0.113 0.000 1.600 989 R HN 0.181 nan 8.270 nan 0.000 0.602 990 N N -0.322 118.188 118.700 -0.317 0.000 2.250 990 N HA 0.061 4.797 4.740 -0.007 0.000 0.190 990 N C 0.158 175.587 175.510 -0.136 0.000 1.116 990 N CA 0.608 53.450 53.050 -0.346 0.000 0.881 990 N CB 0.636 38.644 38.487 -0.799 0.000 1.006 990 N HN 0.188 nan 8.380 nan 0.000 0.491 991 Y N 0.018 120.199 120.300 -0.198 0.000 2.652 991 Y HA 0.201 4.747 4.550 -0.006 0.000 0.275 991 Y C 1.729 177.551 175.900 -0.129 0.000 1.133 991 Y CA -0.144 57.891 58.100 -0.109 0.000 1.246 991 Y CB 0.036 38.477 38.460 -0.032 0.000 1.334 991 Y HN -0.145 nan 8.280 nan 0.000 0.493 992 L N 1.212 122.424 121.223 -0.019 0.000 1.984 992 L HA -0.004 4.332 4.340 -0.007 0.000 0.207 992 L C 2.213 178.994 176.870 -0.148 0.000 1.111 992 L CA 2.404 57.171 54.840 -0.122 0.000 0.770 992 L CB -1.006 40.910 42.059 -0.238 0.000 0.900 992 L HN 0.349 nan 8.230 nan 0.000 0.441 993 E N -0.074 120.042 120.200 -0.140 0.000 2.371 993 E HA 0.144 4.490 4.350 -0.007 0.000 0.194 993 E C 1.251 177.785 176.600 -0.111 0.000 1.012 993 E CA 0.441 56.772 56.400 -0.115 0.000 0.860 993 E CB -0.686 28.956 29.700 -0.096 0.000 0.811 993 E HN 0.497 nan 8.360 nan 0.000 0.502 994 G N 0.000 108.725 108.800 -0.125 0.000 5.446 994 G HA2 0.000 3.956 3.960 -0.007 0.000 0.244 994 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 994 G CA 0.000 45.025 45.100 -0.125 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925