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 1ozh_1_C DATA FIRST_RESID 7 DATA SEQUENCE VRQWAHGADL VVSQLEAQGV RQVFGIPGAK IDKVFDSLLD SSIRIIPVRH DATA SEQUENCE EANAAFMAAA VGRITGKAGV ALVTSGPGCS NLITGMATAN SEGDPVVALG DATA SEQUENCE GAVKRADKAK XXXXXMDTVA MFSPVTKYAI EVTAPDALAE VVSNAFRAAE DATA SEQUENCE QGRPGSAFVS LPQDVVDGPV SGKVLPASGA XXMGAAPDDA IDQVAKLIAQ DATA SEQUENCE AKNPIFLLGL MASQPENSKA LRRLLETSHI PVTSTYQAAG AVNQDNFSRF DATA SEQUENCE AGRVGLFNNQ AGDRLLQLAD LVICIGYSPV EYEPAMWNSG NATLVHIDVL DATA SEQUENCE PAYEERNYTP DVELVGDIAG TLNKLAQNID HRLVLSPQAA EILRDRQHQR DATA SEQUENCE ELLDRXXAQL NQFALHPLRI VRAMQDIVNS DVTLTVDMGS FHIWIARYLY DATA SEQUENCE TFRARQVMIS NGQQTMGVAL PWAIGAWLVN PERKVVSVSG DGGFLQSSME DATA SEQUENCE LETAVRLKAN VLHLIWVDNG YNMVAIQEEK KYQRLSGVEF GPMDFKAYAE DATA SEQUENCE SFGAKGFAVE SAEALEPTLR AAMDVDGPAV VAIPVDYRDN PLLMGQLHLS DATA SEQUENCE QI 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.107 176.094 0.022 0.000 1.182 7 V CA 0.000 62.339 62.300 0.064 0.000 1.235 7 V CB 0.000 31.859 31.823 0.060 0.000 1.184 8 R N -0.278 120.233 120.500 0.018 0.000 2.825 8 R HA 0.412 4.753 4.340 0.002 0.000 0.274 8 R C -2.010 174.147 176.300 -0.237 0.000 1.026 8 R CA -0.664 55.324 56.100 -0.187 0.000 0.867 8 R CB 1.719 31.773 30.300 -0.411 0.000 1.268 8 R HN 0.873 nan 8.270 nan 0.000 0.491 9 Q N 2.054 121.656 119.800 -0.330 0.000 2.303 9 Q HA 0.248 4.589 4.340 0.002 0.000 0.257 9 Q C -1.399 174.386 176.000 -0.357 0.000 0.941 9 Q CA 0.176 55.854 55.803 -0.208 0.000 0.931 9 Q CB 0.945 29.605 28.738 -0.131 0.000 1.215 9 Q HN 0.375 nan 8.270 nan 0.000 0.437 10 W N 0.784 122.061 121.300 -0.039 0.000 2.573 10 W HA 0.504 5.165 4.660 0.002 0.000 0.326 10 W C 0.939 177.399 176.519 -0.097 0.000 1.049 10 W CA -0.654 56.662 57.345 -0.048 0.000 1.220 10 W CB 1.214 30.661 29.460 -0.022 0.000 1.373 10 W HN 0.726 nan 8.180 nan 0.000 0.507 11 A N 1.780 124.623 122.820 0.038 0.000 1.930 11 A HA -0.058 4.263 4.320 0.002 0.000 0.217 11 A C 0.371 177.677 177.584 -0.463 0.000 1.175 11 A CA 1.246 53.127 52.037 -0.260 0.000 0.627 11 A CB -0.466 18.311 19.000 -0.371 0.000 0.815 11 A HN 0.622 nan 8.150 nan 0.000 0.443 12 H N -2.732 116.432 119.070 0.157 0.000 2.771 12 H HA 0.357 4.914 4.556 0.001 0.000 0.361 12 H C 1.216 176.583 175.328 0.065 0.000 1.108 12 H CA -0.259 55.847 56.048 0.096 0.000 1.201 12 H CB 1.357 31.161 29.762 0.071 0.000 1.681 12 H HN 0.139 nan 8.280 nan 0.000 0.534 13 G N 1.548 110.422 108.800 0.123 0.000 2.462 13 G HA2 -0.258 3.703 3.960 0.002 0.000 0.220 13 G HA3 -0.258 3.703 3.960 0.002 0.000 0.220 13 G C 1.535 176.399 174.900 -0.059 0.000 1.121 13 G CA 0.942 46.035 45.100 -0.011 0.000 0.758 13 G HN 0.656 nan 8.290 nan 0.000 0.559 14 A N 1.112 123.947 122.820 0.024 0.000 1.933 14 A HA -0.058 4.263 4.320 0.002 0.000 0.218 14 A C 2.067 179.632 177.584 -0.032 0.000 1.175 14 A CA 1.946 53.977 52.037 -0.011 0.000 0.628 14 A CB -0.290 18.715 19.000 0.009 0.000 0.814 14 A HN 0.307 nan 8.150 nan 0.000 0.444 15 D N -0.439 119.987 120.400 0.044 0.000 2.178 15 D HA -0.114 4.527 4.640 0.002 0.000 0.202 15 D C 1.795 177.962 176.300 -0.222 0.000 0.974 15 D CA 1.153 55.196 54.000 0.071 0.000 0.841 15 D CB -0.267 40.736 40.800 0.338 0.000 0.953 15 D HN 0.395 nan 8.370 nan 0.000 0.478 16 L N 0.781 121.657 121.223 -0.578 0.000 2.109 16 L HA -0.089 4.252 4.340 0.002 0.000 0.207 16 L C 2.155 178.692 176.870 -0.555 0.000 1.086 16 L CA 1.125 55.285 54.840 -1.133 0.000 0.760 16 L CB -0.365 40.938 42.059 -1.261 0.000 0.910 16 L HN -0.180 nan 8.230 nan 0.000 0.437 17 V N -1.125 118.593 119.914 -0.326 0.000 2.261 17 V HA -0.257 3.864 4.120 0.002 0.000 0.246 17 V C 2.498 178.490 176.094 -0.170 0.000 1.047 17 V CA 1.713 63.891 62.300 -0.203 0.000 1.015 17 V CB -0.569 31.173 31.823 -0.134 0.000 0.642 17 V HN 0.315 nan 8.190 nan 0.000 0.446 18 V N -0.470 119.358 119.914 -0.144 0.000 2.490 18 V HA -0.237 3.884 4.120 0.002 0.000 0.250 18 V C 2.605 178.636 176.094 -0.104 0.000 1.061 18 V CA 2.252 64.489 62.300 -0.104 0.000 1.064 18 V CB -0.555 31.231 31.823 -0.062 0.000 0.670 18 V HN 0.582 nan 8.190 nan 0.000 0.461 19 S N -0.895 114.721 115.700 -0.140 0.000 2.387 19 S HA -0.214 4.257 4.470 0.002 0.000 0.226 19 S C 2.010 176.531 174.600 -0.132 0.000 1.026 19 S CA 1.589 59.733 58.200 -0.093 0.000 0.972 19 S CB -0.101 63.046 63.200 -0.090 0.000 0.814 19 S HN 0.598 nan 8.310 nan 0.000 0.477 20 Q N 1.097 120.779 119.800 -0.198 0.000 2.119 20 Q HA 0.104 4.445 4.340 0.002 0.000 0.201 20 Q C 1.947 177.797 176.000 -0.249 0.000 0.972 20 Q CA 1.446 57.127 55.803 -0.203 0.000 0.847 20 Q CB -0.465 28.153 28.738 -0.200 0.000 0.903 20 Q HN 0.574 nan 8.270 nan 0.000 0.433 21 L N 0.096 121.191 121.223 -0.214 0.000 2.046 21 L HA -0.181 4.160 4.340 0.002 0.000 0.208 21 L C 2.235 178.976 176.870 -0.215 0.000 1.077 21 L CA 1.571 56.269 54.840 -0.237 0.000 0.747 21 L CB -0.485 41.508 42.059 -0.110 0.000 0.896 21 L HN 0.322 nan 8.230 nan 0.000 0.432 22 E N 0.206 120.319 120.200 -0.144 0.000 2.153 22 E HA -0.201 4.150 4.350 0.002 0.000 0.194 22 E C 2.256 178.783 176.600 -0.122 0.000 0.988 22 E CA 1.077 57.413 56.400 -0.107 0.000 0.811 22 E CB -0.134 29.528 29.700 -0.062 0.000 0.746 22 E HN 0.501 nan 8.360 nan 0.000 0.466 23 A N 1.124 123.857 122.820 -0.145 0.000 2.015 23 A HA -0.159 4.162 4.320 0.002 0.000 0.219 23 A C 1.977 179.446 177.584 -0.193 0.000 1.163 23 A CA 0.947 52.900 52.037 -0.139 0.000 0.646 23 A CB -0.058 18.864 19.000 -0.129 0.000 0.806 23 A HN 0.088 nan 8.150 nan 0.000 0.448 24 Q N -1.551 118.062 119.800 -0.311 0.000 2.432 24 Q HA 0.129 4.470 4.340 0.002 0.000 0.205 24 Q C 1.318 177.186 176.000 -0.220 0.000 0.945 24 Q CA 0.867 56.428 55.803 -0.402 0.000 0.924 24 Q CB 0.102 28.254 28.738 -0.977 0.000 1.016 24 Q HN 0.980 nan 8.270 nan 0.000 0.503 25 G N 0.490 109.196 108.800 -0.158 0.000 2.175 25 G HA2 -0.263 3.698 3.960 0.002 0.000 0.244 25 G HA3 -0.263 3.698 3.960 0.002 0.000 0.244 25 G C 0.297 175.164 174.900 -0.056 0.000 0.982 25 G CA 0.184 45.233 45.100 -0.085 0.000 0.641 25 G HN 0.219 nan 8.290 nan 0.000 0.527 26 V N 1.763 121.637 119.914 -0.066 0.000 2.625 26 V HA 0.011 4.132 4.120 0.002 0.000 0.305 26 V C 1.880 177.951 176.094 -0.037 0.000 1.055 26 V CA 0.872 63.164 62.300 -0.014 0.000 1.209 26 V CB 0.770 32.594 31.823 0.002 0.000 0.877 26 V HN 0.422 nan 8.190 nan 0.000 0.489 27 R N 2.929 123.410 120.500 -0.032 0.000 2.189 27 R HA 0.138 4.479 4.340 0.002 0.000 0.203 27 R C 0.572 176.815 176.300 -0.095 0.000 1.012 27 R CA 0.427 56.495 56.100 -0.054 0.000 1.015 27 R CB 0.218 30.494 30.300 -0.040 0.000 0.938 27 R HN 0.936 nan 8.270 nan 0.000 0.472 28 Q N -0.720 118.995 119.800 -0.141 0.000 2.687 28 Q HA 0.340 4.681 4.340 0.002 0.000 0.295 28 Q C -1.435 174.354 176.000 -0.353 0.000 0.920 28 Q CA -0.769 54.879 55.803 -0.257 0.000 0.766 28 Q CB 1.594 30.125 28.738 -0.345 0.000 1.467 28 Q HN -0.157 nan 8.270 nan 0.000 0.415 29 V N 1.353 121.016 119.914 -0.419 0.000 2.656 29 V HA 0.604 4.725 4.120 0.002 0.000 0.307 29 V C -1.145 174.704 176.094 -0.407 0.000 1.051 29 V CA -0.563 61.524 62.300 -0.354 0.000 0.893 29 V CB 1.591 33.262 31.823 -0.253 0.000 0.999 29 V HN 0.664 nan 8.190 nan 0.000 0.426 30 F N 2.474 122.449 119.950 0.042 0.000 2.443 30 F HA 0.923 5.451 4.527 0.001 0.000 0.335 30 F C 0.837 176.704 175.800 0.111 0.000 1.104 30 F CA 0.003 58.057 58.000 0.091 0.000 1.013 30 F CB 2.078 41.141 39.000 0.107 0.000 1.136 30 F HN 0.754 nan 8.300 nan 0.000 0.470 31 G N 2.055 111.065 108.800 0.350 0.000 2.323 31 G HA2 0.485 4.446 3.960 0.002 0.000 0.291 31 G HA3 0.485 4.446 3.960 0.002 0.000 0.291 31 G C -2.114 172.996 174.900 0.349 0.000 1.278 31 G CA -0.897 44.410 45.100 0.345 0.000 0.860 31 G HN 0.520 nan 8.290 nan 0.000 0.504 32 I N 2.187 122.936 120.570 0.298 0.000 2.512 32 I HA 0.360 4.531 4.170 0.002 0.000 0.287 32 I C -2.271 173.758 176.117 -0.147 0.000 1.069 32 I CA -1.923 59.413 61.300 0.062 0.000 1.056 32 I CB 2.958 40.968 38.000 0.016 0.000 1.229 32 I HN 0.304 nan 8.210 nan 0.000 0.429 33 P HA 0.367 nan 4.420 nan 0.000 0.274 33 P C -0.360 176.716 177.300 -0.374 0.000 1.246 33 P CA 0.034 62.533 63.100 -1.000 0.000 0.795 33 P CB 1.558 32.393 31.700 -1.442 0.000 1.006 34 G N -1.519 107.133 108.800 -0.246 0.000 2.646 34 G HA2 0.440 4.401 3.960 0.002 0.000 0.291 34 G HA3 0.440 4.401 3.960 0.002 0.000 0.291 34 G C 0.536 175.391 174.900 -0.074 0.000 1.445 34 G CA -0.068 44.962 45.100 -0.117 0.000 0.814 34 G HN 0.385 nan 8.290 nan 0.000 0.495 35 A N 0.278 123.070 122.820 -0.048 0.000 1.903 35 A HA -0.100 4.221 4.320 0.002 0.000 0.219 35 A C 2.211 179.791 177.584 -0.007 0.000 1.191 35 A CA 2.481 54.502 52.037 -0.027 0.000 0.638 35 A CB -0.421 18.567 19.000 -0.019 0.000 0.823 35 A HN 0.519 nan 8.150 nan 0.000 0.451 36 K N -1.420 118.983 120.400 0.005 0.000 2.211 36 K HA 0.050 4.370 4.320 0.002 0.000 0.203 36 K C 1.315 177.936 176.600 0.036 0.000 1.050 36 K CA 1.056 57.354 56.287 0.019 0.000 0.945 36 K CB -0.131 32.384 32.500 0.025 0.000 0.732 36 K HN 0.501 nan 8.250 nan 0.000 0.451 37 I N 0.440 121.043 120.570 0.056 0.000 4.082 37 I HA -0.028 4.143 4.170 0.002 0.000 0.337 37 I C 0.270 176.495 176.117 0.180 0.000 1.352 37 I CA -0.099 61.272 61.300 0.118 0.000 1.097 37 I CB 0.270 38.381 38.000 0.185 0.000 1.048 37 I HN 0.126 nan 8.210 nan 0.000 0.393 38 D N 0.388 120.839 120.400 0.085 0.000 2.271 38 D HA -0.295 4.346 4.640 0.002 0.000 0.207 38 D C 1.920 178.287 176.300 0.113 0.000 0.983 38 D CA 1.116 55.164 54.000 0.081 0.000 0.878 38 D CB -0.284 40.498 40.800 -0.029 0.000 0.920 38 D HN 0.127 nan 8.370 nan 0.000 0.479 39 K N 0.533 120.967 120.400 0.057 0.000 2.148 39 K HA -0.029 4.292 4.320 0.002 0.000 0.204 39 K C 1.849 178.466 176.600 0.028 0.000 1.050 39 K CA 0.842 57.128 56.287 -0.002 0.000 0.942 39 K CB -0.353 32.114 32.500 -0.055 0.000 0.724 39 K HN 0.154 nan 8.250 nan 0.000 0.446 40 V N 0.347 120.303 119.914 0.070 0.000 2.358 40 V HA -0.170 3.951 4.120 0.002 0.000 0.246 40 V C 1.925 178.024 176.094 0.007 0.000 1.047 40 V CA 1.674 63.982 62.300 0.014 0.000 1.035 40 V CB -0.604 31.205 31.823 -0.023 0.000 0.658 40 V HN 0.166 nan 8.190 nan 0.000 0.452 41 F N 0.897 120.834 119.950 -0.021 0.000 2.161 41 F HA -0.200 4.328 4.527 0.001 0.000 0.300 41 F C 2.218 178.008 175.800 -0.017 0.000 1.089 41 F CA 2.130 60.121 58.000 -0.014 0.000 1.282 41 F CB -0.486 38.509 39.000 -0.008 0.000 1.010 41 F HN 0.259 nan 8.300 nan 0.000 0.485 42 D N -0.633 119.862 120.400 0.158 0.000 2.084 42 D HA -0.154 4.487 4.640 0.002 0.000 0.196 42 D C 2.228 178.550 176.300 0.038 0.000 0.985 42 D CA 1.737 55.780 54.000 0.072 0.000 0.826 42 D CB -0.109 40.704 40.800 0.021 0.000 0.978 42 D HN 0.033 nan 8.370 nan 0.000 0.456 43 S N -0.350 115.361 115.700 0.018 0.000 2.400 43 S HA -0.129 4.342 4.470 0.002 0.000 0.232 43 S C 2.004 176.608 174.600 0.007 0.000 1.025 43 S CA 0.583 58.794 58.200 0.018 0.000 0.993 43 S CB -0.343 62.866 63.200 0.014 0.000 0.808 43 S HN 0.328 nan 8.310 nan 0.000 0.478 44 L N 0.960 122.172 121.223 -0.019 0.000 2.265 44 L HA -0.066 4.275 4.340 0.002 0.000 0.215 44 L C 2.000 178.864 176.870 -0.011 0.000 1.117 44 L CA 0.674 55.489 54.840 -0.041 0.000 0.782 44 L CB -0.557 41.440 42.059 -0.104 0.000 0.914 44 L HN 0.321 nan 8.230 nan 0.000 0.441 45 L N -0.490 120.742 121.223 0.016 0.000 2.131 45 L HA -0.218 4.122 4.340 0.002 0.000 0.210 45 L C 1.534 178.415 176.870 0.019 0.000 1.092 45 L CA 1.048 55.903 54.840 0.024 0.000 0.759 45 L CB -0.399 41.682 42.059 0.036 0.000 0.903 45 L HN 0.317 nan 8.230 nan 0.000 0.435 46 D N -0.676 119.736 120.400 0.021 0.000 2.339 46 D HA 0.034 4.675 4.640 0.002 0.000 0.217 46 D C 0.990 177.301 176.300 0.018 0.000 1.050 46 D CA 0.287 54.301 54.000 0.025 0.000 0.856 46 D CB 0.328 41.151 40.800 0.038 0.000 0.922 46 D HN 0.314 nan 8.370 nan 0.000 0.518 47 S N -0.624 115.079 115.700 0.006 0.000 2.739 47 S HA 0.319 4.790 4.470 0.002 0.000 0.306 47 S C 1.295 175.888 174.600 -0.012 0.000 1.115 47 S CA -0.412 57.787 58.200 -0.003 0.000 0.985 47 S CB 1.925 65.116 63.200 -0.015 0.000 1.133 47 S HN -0.028 nan 8.310 nan 0.000 0.541 48 S N 0.002 115.692 115.700 -0.017 0.000 2.489 48 S HA 0.153 4.624 4.470 0.002 0.000 0.228 48 S C 0.713 175.292 174.600 -0.034 0.000 0.995 48 S CA -0.153 58.034 58.200 -0.021 0.000 0.934 48 S CB -0.928 62.259 63.200 -0.021 0.000 0.771 48 S HN 0.663 nan 8.310 nan 0.000 0.522 49 I N 2.954 123.497 120.570 -0.046 0.000 2.668 49 I HA 0.062 4.233 4.170 0.002 0.000 0.285 49 I C 0.929 177.003 176.117 -0.071 0.000 1.168 49 I CA -0.040 61.220 61.300 -0.067 0.000 1.424 49 I CB 0.279 38.230 38.000 -0.082 0.000 1.377 49 I HN 0.219 nan 8.210 nan 0.000 0.560 50 R N 7.014 127.465 120.500 -0.083 0.000 2.441 50 R HA 0.442 4.783 4.340 0.002 0.000 0.284 50 R C -0.706 175.530 176.300 -0.106 0.000 1.070 50 R CA -0.483 55.573 56.100 -0.073 0.000 1.047 50 R CB 0.653 30.913 30.300 -0.066 0.000 1.016 50 R HN 0.567 nan 8.270 nan 0.000 0.477 51 I N 6.193 126.729 120.570 -0.057 0.000 2.315 51 I HA 0.230 4.401 4.170 0.002 0.000 0.291 51 I C -0.070 176.050 176.117 0.005 0.000 1.006 51 I CA -0.365 60.908 61.300 -0.044 0.000 1.265 51 I CB 1.327 39.352 38.000 0.041 0.000 1.387 51 I HN 0.486 nan 8.210 nan 0.000 0.475 52 I N 8.623 129.180 120.570 -0.021 0.000 2.428 52 I HA 0.300 4.471 4.170 0.002 0.000 0.279 52 I C -2.391 173.839 176.117 0.188 0.000 1.040 52 I CA -1.895 59.448 61.300 0.072 0.000 1.171 52 I CB 1.134 39.150 38.000 0.026 0.000 1.312 52 I HN 0.206 nan 8.210 nan 0.000 0.470 53 P HA 0.081 nan 4.420 nan 0.000 0.271 53 P C -0.202 177.220 177.300 0.203 0.000 1.220 53 P CA -0.072 63.153 63.100 0.209 0.000 0.768 53 P CB 0.932 32.722 31.700 0.150 0.000 0.848 54 V N 2.281 122.321 119.914 0.210 0.000 3.267 54 V HA 0.549 4.670 4.120 0.002 0.000 0.317 54 V C 1.004 177.183 176.094 0.142 0.000 1.131 54 V CA -0.544 61.870 62.300 0.190 0.000 1.031 54 V CB 2.071 34.020 31.823 0.209 0.000 1.159 54 V HN 0.221 nan 8.190 nan 0.000 0.454 55 R N -0.602 119.981 120.500 0.137 0.000 2.308 55 R HA 0.339 4.680 4.340 0.002 0.000 0.202 55 R C 0.114 176.500 176.300 0.144 0.000 0.898 55 R CA 0.374 56.547 56.100 0.122 0.000 1.046 55 R CB -0.335 30.042 30.300 0.128 0.000 1.026 55 R HN 0.922 nan 8.270 nan 0.000 0.512 56 H N 0.051 119.153 119.070 0.053 0.000 3.042 56 H HA 0.164 4.721 4.556 0.001 0.000 0.345 56 H C -0.080 175.267 175.328 0.031 0.000 1.052 56 H CA -0.184 55.885 56.048 0.035 0.000 1.311 56 H CB 1.677 31.453 29.762 0.023 0.000 1.810 56 H HN -0.209 nan 8.280 nan 0.000 0.505 57 E N 3.162 123.375 120.200 0.022 0.000 2.130 57 E HA -0.153 4.198 4.350 0.002 0.000 0.196 57 E C 2.031 178.695 176.600 0.106 0.000 0.998 57 E CA 1.763 58.211 56.400 0.081 0.000 0.806 57 E CB 0.093 29.804 29.700 0.018 0.000 0.738 57 E HN 0.663 nan 8.360 nan 0.000 0.459 58 A N 1.451 124.416 122.820 0.242 0.000 1.917 58 A HA -0.272 4.049 4.320 0.002 0.000 0.219 58 A C 1.776 179.161 177.584 -0.332 0.000 1.182 58 A CA 1.840 53.811 52.037 -0.109 0.000 0.633 58 A CB -0.550 18.385 19.000 -0.109 0.000 0.819 58 A HN 0.197 nan 8.150 nan 0.000 0.448 59 N N 0.213 118.902 118.700 -0.018 0.000 2.396 59 N HA -0.027 4.714 4.740 0.002 0.000 0.180 59 N C 1.755 177.267 175.510 0.004 0.000 1.028 59 N CA 1.188 54.283 53.050 0.075 0.000 0.893 59 N CB -0.446 38.121 38.487 0.134 0.000 0.967 59 N HN 0.516 nan 8.380 nan 0.000 0.440 60 A N 1.092 123.920 122.820 0.013 0.000 1.930 60 A HA 0.072 4.393 4.320 0.002 0.000 0.217 60 A C 2.373 179.934 177.584 -0.038 0.000 1.175 60 A CA 1.638 53.700 52.037 0.042 0.000 0.627 60 A CB -0.541 18.560 19.000 0.168 0.000 0.815 60 A HN 0.297 nan 8.150 nan 0.000 0.443 61 A N -1.039 121.725 122.820 -0.093 0.000 1.897 61 A HA 0.058 4.379 4.320 0.002 0.000 0.215 61 A C 2.022 179.593 177.584 -0.022 0.000 1.181 61 A CA 1.181 53.163 52.037 -0.091 0.000 0.620 61 A CB -0.733 18.150 19.000 -0.194 0.000 0.821 61 A HN 0.519 nan 8.150 nan 0.000 0.443 62 F N -0.472 119.490 119.950 0.019 0.000 2.134 62 F HA -0.203 4.325 4.527 0.002 0.000 0.299 62 F C 2.650 178.514 175.800 0.107 0.000 1.097 62 F CA 1.273 59.312 58.000 0.065 0.000 1.264 62 F CB -0.344 38.590 39.000 -0.109 0.000 1.001 62 F HN 0.132 nan 8.300 nan 0.000 0.479 63 M N -0.031 119.591 119.600 0.037 0.000 2.117 63 M HA -0.185 4.296 4.480 0.002 0.000 0.262 63 M C 2.547 178.649 176.300 -0.330 0.000 1.065 63 M CA 1.675 56.795 55.300 -0.300 0.000 1.114 63 M CB -0.586 31.427 32.600 -0.977 0.000 1.361 63 M HN 0.198 nan 8.290 nan 0.000 0.408 64 A N 0.381 123.042 122.820 -0.265 0.000 1.933 64 A HA -0.063 4.258 4.320 0.002 0.000 0.218 64 A C 2.349 179.998 177.584 0.109 0.000 1.175 64 A CA 1.875 53.947 52.037 0.059 0.000 0.628 64 A CB -0.877 18.216 19.000 0.155 0.000 0.814 64 A HN 0.508 nan 8.150 nan 0.000 0.444 65 A N -0.243 122.660 122.820 0.138 0.000 1.930 65 A HA 0.196 4.517 4.320 0.002 0.000 0.217 65 A C 2.457 180.075 177.584 0.057 0.000 1.175 65 A CA 1.912 54.038 52.037 0.148 0.000 0.627 65 A CB -0.849 18.329 19.000 0.297 0.000 0.815 65 A HN 0.993 nan 8.150 nan 0.000 0.443 66 A N -0.620 122.239 122.820 0.065 0.000 1.898 66 A HA 0.057 4.378 4.320 0.002 0.000 0.216 66 A C 2.215 179.810 177.584 0.018 0.000 1.181 66 A CA 1.591 53.607 52.037 -0.035 0.000 0.620 66 A CB -0.858 18.172 19.000 0.051 0.000 0.819 66 A HN 0.335 nan 8.150 nan 0.000 0.442 67 V N -0.006 119.960 119.914 0.086 0.000 2.295 67 V HA -0.206 3.915 4.120 0.002 0.000 0.246 67 V C 2.831 178.973 176.094 0.080 0.000 1.049 67 V CA 2.116 64.488 62.300 0.120 0.000 1.024 67 V CB -1.401 30.561 31.823 0.232 0.000 0.648 67 V HN 0.607 nan 8.190 nan 0.000 0.447 68 G N -0.640 108.205 108.800 0.076 0.000 2.418 68 G HA2 -0.305 3.656 3.960 0.002 0.000 0.217 68 G HA3 -0.305 3.656 3.960 0.002 0.000 0.217 68 G C 1.712 176.624 174.900 0.020 0.000 1.158 68 G CA 0.968 46.101 45.100 0.054 0.000 0.771 68 G HN 0.439 nan 8.290 nan 0.000 0.545 69 R N 0.061 120.555 120.500 -0.010 0.000 2.081 69 R HA 0.011 4.352 4.340 0.002 0.000 0.235 69 R C 2.512 178.791 176.300 -0.035 0.000 1.131 69 R CA 1.384 57.458 56.100 -0.043 0.000 0.960 69 R CB -0.305 29.928 30.300 -0.111 0.000 0.856 69 R HN 0.444 nan 8.270 nan 0.000 0.436 70 I N 0.045 120.600 120.570 -0.026 0.000 2.333 70 I HA -0.178 3.993 4.170 0.002 0.000 0.246 70 I C 2.356 178.470 176.117 -0.004 0.000 1.106 70 I CA 1.597 62.887 61.300 -0.018 0.000 1.411 70 I CB -0.270 37.724 38.000 -0.010 0.000 1.082 70 I HN 0.368 nan 8.210 nan 0.000 0.420 71 T N -2.391 112.170 114.554 0.012 0.000 3.054 71 T HA 0.217 4.568 4.350 0.002 0.000 0.259 71 T C 1.707 176.418 174.700 0.018 0.000 1.092 71 T CA 0.675 62.785 62.100 0.017 0.000 1.121 71 T CB 0.434 69.321 68.868 0.031 0.000 0.912 71 T HN 0.508 nan 8.240 nan 0.000 0.489 72 G N 1.297 110.109 108.800 0.020 0.000 2.205 72 G HA2 -0.236 3.725 3.960 0.002 0.000 0.261 72 G HA3 -0.236 3.725 3.960 0.002 0.000 0.261 72 G C -0.010 174.914 174.900 0.040 0.000 0.980 72 G CA 0.283 45.396 45.100 0.022 0.000 0.632 72 G HN 0.679 nan 8.290 nan 0.000 0.533 73 K N 0.780 121.214 120.400 0.056 0.000 2.244 73 K HA 0.693 5.014 4.320 0.002 0.000 0.260 73 K C 0.572 177.241 176.600 0.114 0.000 0.951 73 K CA -0.155 56.188 56.287 0.093 0.000 0.826 73 K CB 1.868 34.420 32.500 0.088 0.000 1.108 73 K HN 0.547 nan 8.250 nan 0.000 0.433 74 A N 2.116 125.019 122.820 0.138 0.000 2.567 74 A HA 0.182 4.503 4.320 0.002 0.000 0.240 74 A C 0.582 178.239 177.584 0.121 0.000 1.053 74 A CA 0.390 52.469 52.037 0.070 0.000 0.755 74 A CB -0.128 18.798 19.000 -0.124 0.000 0.978 74 A HN 0.815 nan 8.150 nan 0.000 0.507 75 G N 0.467 109.333 108.800 0.111 0.000 2.503 75 G HA2 0.497 4.458 3.960 0.002 0.000 0.257 75 G HA3 0.497 4.458 3.960 0.002 0.000 0.257 75 G C -0.495 174.504 174.900 0.165 0.000 1.214 75 G CA -0.317 44.903 45.100 0.200 0.000 0.839 75 G HN 0.952 nan 8.290 nan 0.000 0.559 76 V N 0.686 120.739 119.914 0.232 0.000 2.540 76 V HA 0.707 4.828 4.120 0.002 0.000 0.302 76 V C 0.356 176.583 176.094 0.221 0.000 1.035 76 V CA -0.781 61.611 62.300 0.153 0.000 0.873 76 V CB 1.220 33.115 31.823 0.120 0.000 0.992 76 V HN 1.102 nan 8.190 nan 0.000 0.428 77 A N 4.704 127.618 122.820 0.157 0.000 2.337 77 A HA 0.942 5.263 4.320 0.002 0.000 0.329 77 A C -1.235 176.408 177.584 0.099 0.000 1.146 77 A CA -0.566 51.579 52.037 0.180 0.000 0.800 77 A CB 1.442 20.540 19.000 0.164 0.000 1.220 77 A HN 0.864 nan 8.150 nan 0.000 0.472 78 L N 3.366 124.651 121.223 0.103 0.000 2.404 78 L HA 0.715 5.056 4.340 0.002 0.000 0.272 78 L C -0.566 176.444 176.870 0.234 0.000 0.980 78 L CA -0.379 54.501 54.840 0.066 0.000 0.836 78 L CB 1.749 43.699 42.059 -0.182 0.000 1.238 78 L HN 0.975 nan 8.230 nan 0.000 0.408 79 V N 0.940 120.983 119.914 0.215 0.000 3.141 79 V HA 0.754 4.874 4.120 0.002 0.000 0.312 79 V C -0.105 176.099 176.094 0.184 0.000 1.157 79 V CA -0.437 61.995 62.300 0.220 0.000 1.041 79 V CB 1.634 33.558 31.823 0.167 0.000 1.071 79 V HN 0.746 nan 8.190 nan 0.000 0.441 80 T N 0.869 115.498 114.554 0.124 0.000 2.849 80 T HA 0.518 4.869 4.350 0.002 0.000 0.276 80 T C 0.607 175.358 174.700 0.084 0.000 0.971 80 T CA 0.397 62.548 62.100 0.085 0.000 0.949 80 T CB 1.076 69.961 68.868 0.028 0.000 1.093 80 T HN 1.651 nan 8.240 nan 0.000 0.545 81 S N 0.377 116.116 115.700 0.066 0.000 2.606 81 S HA 0.519 4.990 4.470 0.002 0.000 0.257 81 S C 1.266 175.903 174.600 0.062 0.000 1.327 81 S CA -0.020 58.224 58.200 0.073 0.000 0.984 81 S CB -0.378 62.854 63.200 0.053 0.000 0.941 81 S HN 1.635 nan 8.310 nan 0.000 0.576 82 G N 1.494 110.334 108.800 0.067 0.000 2.622 82 G HA2 -0.279 3.682 3.960 0.002 0.000 0.307 82 G HA3 -0.279 3.682 3.960 0.002 0.000 0.307 82 G C -1.050 173.877 174.900 0.044 0.000 1.226 82 G CA 0.247 45.376 45.100 0.049 0.000 0.997 82 G HN 0.762 nan 8.290 nan 0.000 0.551 83 P HA -0.109 nan 4.420 nan 0.000 0.220 83 P C 1.852 179.153 177.300 0.002 0.000 1.144 83 P CA 2.605 65.706 63.100 0.001 0.000 0.800 83 P CB -0.728 30.962 31.700 -0.017 0.000 0.772 84 G N -0.332 108.481 108.800 0.021 0.000 2.422 84 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 84 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 84 G C 1.693 176.646 174.900 0.089 0.000 1.146 84 G CA 0.848 45.970 45.100 0.036 0.000 0.769 84 G HN 0.279 nan 8.290 nan 0.000 0.547 85 C N 1.061 120.438 119.300 0.127 0.000 2.522 85 C HA 0.054 4.515 4.460 0.002 0.000 0.280 85 C C 3.428 178.548 174.990 0.216 0.000 1.303 85 C CA 1.175 60.322 59.018 0.216 0.000 1.709 85 C CB -0.580 27.297 27.740 0.229 0.000 2.071 85 C HN 0.568 nan 8.230 nan 0.000 0.492 86 S N 1.096 116.847 115.700 0.085 0.000 2.442 86 S HA -0.154 4.317 4.470 0.002 0.000 0.236 86 S C 1.205 175.777 174.600 -0.047 0.000 1.007 86 S CA 1.383 59.563 58.200 -0.033 0.000 0.965 86 S CB -1.026 62.150 63.200 -0.040 0.000 0.773 86 S HN 0.733 nan 8.310 nan 0.000 0.504 87 N N 0.725 119.428 118.700 0.005 0.000 2.515 87 N HA 0.203 4.944 4.740 0.002 0.000 0.185 87 N C 1.185 176.714 175.510 0.031 0.000 1.109 87 N CA 0.432 53.499 53.050 0.027 0.000 0.903 87 N CB -0.121 38.334 38.487 -0.054 0.000 0.969 87 N HN 0.416 nan 8.380 nan 0.000 0.450 88 L N 0.235 121.477 121.223 0.032 0.000 2.416 88 L HA 0.110 4.451 4.340 0.002 0.000 0.216 88 L C 1.837 178.652 176.870 -0.092 0.000 1.098 88 L CA 0.050 54.908 54.840 0.030 0.000 0.840 88 L CB -0.030 42.165 42.059 0.227 0.000 0.981 88 L HN 0.144 nan 8.230 nan 0.000 0.462 89 I N 0.146 120.549 120.570 -0.280 0.000 2.091 89 I HA -0.398 3.773 4.170 0.002 0.000 0.240 89 I C 2.485 178.450 176.117 -0.254 0.000 1.046 89 I CA 2.000 63.018 61.300 -0.470 0.000 1.306 89 I CB -0.767 36.899 38.000 -0.557 0.000 1.018 89 I HN 0.237 nan 8.210 nan 0.000 0.404 90 T N 0.485 114.930 114.554 -0.182 0.000 2.699 90 T HA -0.174 4.177 4.350 0.002 0.000 0.268 90 T C 1.844 176.483 174.700 -0.102 0.000 1.036 90 T CA 1.664 63.700 62.100 -0.105 0.000 1.147 90 T CB -0.818 68.019 68.868 -0.052 0.000 0.862 90 T HN 0.656 nan 8.240 nan 0.000 0.446 91 G N 1.129 109.753 108.800 -0.294 0.000 2.422 91 G HA2 -0.166 3.795 3.960 0.002 0.000 0.218 91 G HA3 -0.166 3.795 3.960 0.002 0.000 0.218 91 G C 1.514 176.346 174.900 -0.115 0.000 1.146 91 G CA 0.581 45.390 45.100 -0.485 0.000 0.769 91 G HN 0.312 nan 8.290 nan 0.000 0.547 92 M N 0.998 120.569 119.600 -0.048 0.000 2.200 92 M HA 0.151 4.632 4.480 0.002 0.000 0.265 92 M C 2.970 179.305 176.300 0.058 0.000 1.066 92 M CA 1.071 56.409 55.300 0.063 0.000 1.127 92 M CB -1.045 31.658 32.600 0.173 0.000 1.379 92 M HN 0.311 nan 8.290 nan 0.000 0.420 93 A N 0.030 122.855 122.820 0.008 0.000 1.898 93 A HA -0.121 4.200 4.320 0.002 0.000 0.216 93 A C 2.312 179.938 177.584 0.070 0.000 1.181 93 A CA 2.169 54.217 52.037 0.017 0.000 0.620 93 A CB -1.089 17.896 19.000 -0.025 0.000 0.819 93 A HN 0.456 nan 8.150 nan 0.000 0.442 94 T N 0.363 114.991 114.554 0.122 0.000 2.746 94 T HA -0.021 4.330 4.350 0.002 0.000 0.267 94 T C 2.201 177.032 174.700 0.220 0.000 1.039 94 T CA 1.543 63.767 62.100 0.206 0.000 1.142 94 T CB -0.420 68.671 68.868 0.371 0.000 0.866 94 T HN 0.588 nan 8.240 nan 0.000 0.444 95 A N 1.885 124.829 122.820 0.206 0.000 1.877 95 A HA -0.137 4.184 4.320 0.002 0.000 0.216 95 A C 2.211 179.864 177.584 0.114 0.000 1.186 95 A CA 1.926 54.069 52.037 0.176 0.000 0.620 95 A CB -0.857 18.234 19.000 0.152 0.000 0.822 95 A HN 0.468 nan 8.150 nan 0.000 0.443 96 N N 0.053 118.809 118.700 0.094 0.000 2.120 96 N HA -0.109 4.632 4.740 0.002 0.000 0.188 96 N C 1.853 177.392 175.510 0.048 0.000 1.024 96 N CA 1.814 54.904 53.050 0.066 0.000 0.852 96 N CB -0.224 38.300 38.487 0.062 0.000 1.003 96 N HN 0.343 nan 8.380 nan 0.000 0.424 97 S N -0.003 115.729 115.700 0.054 0.000 2.399 97 S HA -0.051 4.420 4.470 0.002 0.000 0.231 97 S C 1.144 175.770 174.600 0.042 0.000 1.022 97 S CA 0.924 59.147 58.200 0.037 0.000 0.983 97 S CB -0.166 63.062 63.200 0.046 0.000 0.803 97 S HN 0.393 nan 8.310 nan 0.000 0.480 98 E N 0.002 120.244 120.200 0.069 0.000 2.479 98 E HA 0.211 4.562 4.350 0.002 0.000 0.193 98 E C 1.253 177.871 176.600 0.030 0.000 1.049 98 E CA 0.398 56.832 56.400 0.056 0.000 0.870 98 E CB -0.099 29.648 29.700 0.078 0.000 0.944 98 E HN 0.500 nan 8.360 nan 0.000 0.492 99 G N 2.287 111.106 108.800 0.032 0.000 2.160 99 G HA2 -0.213 3.748 3.960 0.002 0.000 0.251 99 G HA3 -0.213 3.748 3.960 0.002 0.000 0.251 99 G C -0.462 174.452 174.900 0.023 0.000 1.008 99 G CA 0.143 45.257 45.100 0.024 0.000 0.724 99 G HN 0.143 nan 8.290 nan 0.000 0.514 100 D N 1.493 121.914 120.400 0.034 0.000 2.295 100 D HA 0.369 5.010 4.640 0.002 0.000 0.248 100 D C -1.961 174.362 176.300 0.038 0.000 1.154 100 D CA -1.157 52.860 54.000 0.029 0.000 0.857 100 D CB 1.614 42.439 40.800 0.041 0.000 1.117 100 D HN 0.191 nan 8.370 nan 0.000 0.468 101 P HA 0.060 nan 4.420 nan 0.000 0.270 101 P C -0.597 176.707 177.300 0.008 0.000 1.242 101 P CA -0.162 62.946 63.100 0.013 0.000 0.768 101 P CB 0.825 32.535 31.700 0.017 0.000 0.820 102 V N 5.124 125.031 119.914 -0.012 0.000 2.686 102 V HA 0.263 4.384 4.120 0.002 0.000 0.306 102 V C -0.024 176.010 176.094 -0.099 0.000 1.065 102 V CA -0.760 61.529 62.300 -0.017 0.000 0.894 102 V CB 2.717 34.571 31.823 0.051 0.000 1.004 102 V HN 0.217 nan 8.190 nan 0.000 0.424 103 V N 3.921 123.715 119.914 -0.200 0.000 2.378 103 V HA 0.804 4.925 4.120 0.002 0.000 0.288 103 V C 0.286 176.304 176.094 -0.127 0.000 1.016 103 V CA -0.393 61.723 62.300 -0.306 0.000 0.840 103 V CB 1.671 32.982 31.823 -0.855 0.000 0.994 103 V HN 1.002 nan 8.190 nan 0.000 0.431 104 A N 6.517 129.316 122.820 -0.036 0.000 2.304 104 A HA 0.895 5.216 4.320 0.002 0.000 0.323 104 A C -0.839 176.700 177.584 -0.076 0.000 1.195 104 A CA -0.515 51.544 52.037 0.036 0.000 0.826 104 A CB 0.789 19.895 19.000 0.177 0.000 1.184 104 A HN 0.803 nan 8.150 nan 0.000 0.496 105 L N 2.982 124.162 121.223 -0.071 0.000 2.316 105 L HA 0.603 4.944 4.340 0.002 0.000 0.280 105 L C 0.543 177.361 176.870 -0.087 0.000 1.006 105 L CA -0.461 54.280 54.840 -0.164 0.000 0.836 105 L CB 1.834 43.833 42.059 -0.098 0.000 1.221 105 L HN 0.810 nan 8.230 nan 0.000 0.418 106 G N 1.582 110.274 108.800 -0.179 0.000 2.415 106 G HA2 0.566 4.527 3.960 0.002 0.000 0.327 106 G HA3 0.566 4.527 3.960 0.002 0.000 0.327 106 G C 0.056 174.956 174.900 0.000 0.000 1.182 106 G CA -0.485 44.642 45.100 0.045 0.000 0.924 106 G HN 0.624 nan 8.290 nan 0.000 0.470 107 G N -0.306 108.528 108.800 0.058 0.000 2.636 107 G HA2 0.651 4.612 3.960 0.002 0.000 0.246 107 G HA3 0.651 4.612 3.960 0.002 0.000 0.246 107 G C 0.049 174.978 174.900 0.048 0.000 1.216 107 G CA 0.599 45.723 45.100 0.041 0.000 0.854 107 G HN 1.358 nan 8.290 nan 0.000 0.572 108 A N -0.507 122.331 122.820 0.030 0.000 2.594 108 A HA 0.729 5.050 4.320 0.002 0.000 0.291 108 A C -0.004 177.596 177.584 0.026 0.000 1.105 108 A CA -0.076 51.983 52.037 0.037 0.000 0.694 108 A CB 1.073 20.090 19.000 0.027 0.000 1.291 108 A HN 2.055 nan 8.150 nan 0.000 0.410 109 V N -0.632 119.298 119.914 0.028 0.000 2.963 109 V HA 0.329 4.449 4.120 0.002 0.000 0.306 109 V C 0.347 176.451 176.094 0.017 0.000 1.077 109 V CA -0.576 61.737 62.300 0.021 0.000 1.124 109 V CB -0.216 31.620 31.823 0.021 0.000 0.987 109 V HN 0.826 nan 8.190 nan 0.000 0.487 110 K N 2.512 122.921 120.400 0.015 0.000 2.561 110 K HA 0.006 4.327 4.320 0.002 0.000 0.280 110 K C 1.464 178.072 176.600 0.012 0.000 0.975 110 K CA 0.369 56.664 56.287 0.013 0.000 1.024 110 K CB 0.338 32.847 32.500 0.014 0.000 0.883 110 K HN 0.638 nan 8.250 nan 0.000 0.496 111 R N 1.587 122.093 120.500 0.010 0.000 2.096 111 R HA -0.251 4.090 4.340 0.002 0.000 0.240 111 R C 2.206 178.512 176.300 0.010 0.000 1.139 111 R CA 1.917 58.022 56.100 0.009 0.000 0.952 111 R CB -0.450 29.854 30.300 0.007 0.000 0.854 111 R HN 0.767 nan 8.270 nan 0.000 0.436 112 A N 1.144 123.970 122.820 0.010 0.000 2.019 112 A HA -0.158 4.163 4.320 0.002 0.000 0.219 112 A C 1.398 178.988 177.584 0.010 0.000 1.164 112 A CA 1.568 53.611 52.037 0.010 0.000 0.644 112 A CB -0.179 18.827 19.000 0.010 0.000 0.805 112 A HN 0.212 nan 8.150 nan 0.000 0.449 113 D N -0.811 119.596 120.400 0.011 0.000 2.355 113 D HA -0.029 4.612 4.640 0.002 0.000 0.218 113 D C 1.367 177.674 176.300 0.012 0.000 1.004 113 D CA 0.452 54.459 54.000 0.011 0.000 0.880 113 D CB -0.074 40.733 40.800 0.011 0.000 0.911 113 D HN 0.486 nan 8.370 nan 0.000 0.528 114 K N 0.955 121.363 120.400 0.013 0.000 2.665 114 K HA 0.045 4.365 4.320 0.002 0.000 0.196 114 K C -0.214 176.394 176.600 0.013 0.000 1.021 114 K CA -0.046 56.249 56.287 0.014 0.000 1.066 114 K CB 0.055 32.564 32.500 0.015 0.000 0.849 114 K HN -0.087 nan 8.250 nan 0.000 0.500 115 A N 0.824 123.650 122.820 0.011 0.000 2.328 115 A HA 0.539 4.860 4.320 0.002 0.000 0.318 115 A C -0.314 177.275 177.584 0.009 0.000 1.347 115 A CA -0.707 51.336 52.037 0.009 0.000 0.842 115 A CB 0.891 19.896 19.000 0.008 0.000 1.148 115 A HN 0.262 nan 8.150 nan 0.000 0.499 123 D N 3.576 124.005 120.400 0.048 0.000 2.545 123 D HA 0.106 4.747 4.640 0.002 0.000 0.227 123 D C 1.389 177.742 176.300 0.087 0.000 1.150 123 D CA 0.596 54.632 54.000 0.060 0.000 1.046 123 D CB 0.701 41.525 40.800 0.040 0.000 1.098 123 D HN 0.713 nan 8.370 nan 0.000 0.502 124 T N -1.201 113.433 114.554 0.134 0.000 2.788 124 T HA -0.170 4.181 4.350 0.002 0.000 0.268 124 T C 2.101 176.941 174.700 0.234 0.000 1.044 124 T CA 0.899 63.114 62.100 0.192 0.000 1.139 124 T CB -0.405 68.605 68.868 0.236 0.000 0.867 124 T HN 0.145 nan 8.240 nan 0.000 0.454 125 V N 2.322 122.376 119.914 0.233 0.000 2.324 125 V HA -0.158 3.963 4.120 0.002 0.000 0.250 125 V C 3.231 179.411 176.094 0.143 0.000 1.060 125 V CA 1.814 64.242 62.300 0.212 0.000 1.042 125 V CB -1.433 30.462 31.823 0.121 0.000 0.650 125 V HN 0.723 nan 8.190 nan 0.000 0.450 126 A N -0.818 122.058 122.820 0.093 0.000 1.969 126 A HA -0.152 4.169 4.320 0.002 0.000 0.218 126 A C 2.200 179.801 177.584 0.028 0.000 1.169 126 A CA 1.847 53.914 52.037 0.050 0.000 0.635 126 A CB -0.395 18.622 19.000 0.029 0.000 0.810 126 A HN 0.524 nan 8.150 nan 0.000 0.445 127 M N -2.127 117.488 119.600 0.025 0.000 2.254 127 M HA 0.012 4.493 4.480 0.002 0.000 0.265 127 M C 1.637 177.826 176.300 -0.184 0.000 1.066 127 M CA 1.313 56.559 55.300 -0.089 0.000 1.123 127 M CB -0.324 32.196 32.600 -0.134 0.000 1.388 127 M HN 0.414 nan 8.290 nan 0.000 0.425 128 F N 0.054 119.895 119.950 -0.182 0.000 2.473 128 F HA 0.037 4.564 4.527 0.001 0.000 0.294 128 F C 2.595 178.351 175.800 -0.072 0.000 1.103 128 F CA 0.636 58.524 58.000 -0.188 0.000 1.442 128 F CB -0.503 38.288 39.000 -0.349 0.000 1.097 128 F HN 0.025 nan 8.300 nan 0.000 0.547 129 S N 0.738 116.516 115.700 0.130 0.000 2.372 129 S HA -0.184 4.287 4.470 0.002 0.000 0.227 129 S C -0.469 174.158 174.600 0.045 0.000 1.044 129 S CA 1.754 60.003 58.200 0.081 0.000 1.050 129 S CB -1.324 61.907 63.200 0.051 0.000 0.901 129 S HN 0.226 nan 8.310 nan 0.000 0.447 130 P HA 0.025 nan 4.420 nan 0.000 0.230 130 P C 0.624 177.917 177.300 -0.012 0.000 1.158 130 P CA 0.733 63.827 63.100 -0.010 0.000 0.769 130 P CB -0.022 31.657 31.700 -0.036 0.000 0.807 131 V N -5.276 114.635 119.914 -0.006 0.000 3.111 131 V HA 0.381 4.502 4.120 0.002 0.000 0.343 131 V C -0.003 176.126 176.094 0.060 0.000 1.417 131 V CA 0.008 62.307 62.300 -0.002 0.000 1.142 131 V CB -0.326 31.457 31.823 -0.066 0.000 1.114 131 V HN 0.063 nan 8.190 nan 0.000 0.520 132 T N -3.861 110.750 114.554 0.095 0.000 2.841 132 T HA 0.508 4.859 4.350 0.002 0.000 0.296 132 T C 0.213 174.987 174.700 0.124 0.000 1.166 132 T CA -0.468 61.715 62.100 0.137 0.000 1.007 132 T CB 2.562 71.559 68.868 0.216 0.000 1.253 132 T HN 0.026 nan 8.240 nan 0.000 0.511 133 K N -0.775 119.710 120.400 0.142 0.000 2.211 133 K HA 0.165 4.485 4.320 0.002 0.000 0.201 133 K C -0.469 176.261 176.600 0.216 0.000 1.052 133 K CA 0.493 56.868 56.287 0.146 0.000 0.973 133 K CB 0.174 32.752 32.500 0.129 0.000 0.766 133 K HN 0.597 nan 8.250 nan 0.000 0.466 134 Y N -0.046 120.293 120.300 0.066 0.000 2.396 134 Y HA 0.465 5.017 4.550 0.002 0.000 0.332 134 Y C -1.921 174.032 175.900 0.089 0.000 1.034 134 Y CA -1.024 57.112 58.100 0.060 0.000 1.057 134 Y CB 1.824 40.302 38.460 0.029 0.000 1.220 134 Y HN -0.114 nan 8.280 nan 0.000 0.440 135 A N 7.842 130.493 122.820 -0.282 0.000 2.414 135 A HA 0.777 5.098 4.320 0.002 0.000 0.286 135 A C -1.953 175.425 177.584 -0.343 0.000 1.073 135 A CA -0.523 51.432 52.037 -0.137 0.000 0.727 135 A CB 0.795 19.868 19.000 0.121 0.000 1.215 135 A HN 0.854 nan 8.150 nan 0.000 0.430 136 I N 0.842 121.189 120.570 -0.371 0.000 3.004 136 I HA 0.518 4.689 4.170 0.002 0.000 0.305 136 I C -1.208 174.783 176.117 -0.210 0.000 1.312 136 I CA -0.445 60.672 61.300 -0.305 0.000 0.992 136 I CB 2.233 39.972 38.000 -0.435 0.000 1.282 136 I HN 0.807 nan 8.210 nan 0.000 0.449 137 E N 4.722 124.845 120.200 -0.128 0.000 2.187 137 E HA 0.455 4.806 4.350 0.002 0.000 0.268 137 E C -1.581 174.973 176.600 -0.077 0.000 0.896 137 E CA -0.710 55.625 56.400 -0.108 0.000 0.766 137 E CB 2.077 31.747 29.700 -0.050 0.000 1.142 137 E HN 0.417 nan 8.360 nan 0.000 0.408 138 V N 4.710 124.577 119.914 -0.079 0.000 2.415 138 V HA 0.036 4.157 4.120 0.002 0.000 0.267 138 V C 1.195 177.268 176.094 -0.034 0.000 1.042 138 V CA 0.705 62.975 62.300 -0.049 0.000 1.000 138 V CB 0.505 32.296 31.823 -0.053 0.000 1.015 138 V HN 0.917 nan 8.190 nan 0.000 0.478 139 T N 1.039 115.579 114.554 -0.022 0.000 3.069 139 T HA 0.541 4.892 4.350 0.002 0.000 0.252 139 T C 0.394 175.090 174.700 -0.007 0.000 1.053 139 T CA 0.432 62.525 62.100 -0.012 0.000 0.964 139 T CB 0.449 69.311 68.868 -0.009 0.000 1.005 139 T HN 0.841 nan 8.240 nan 0.000 0.532 140 A N 2.411 125.226 122.820 -0.008 0.000 2.429 140 A HA 0.680 5.001 4.320 0.002 0.000 0.289 140 A C -2.158 175.423 177.584 -0.006 0.000 1.043 140 A CA -1.610 50.425 52.037 -0.002 0.000 0.722 140 A CB 1.526 20.527 19.000 0.002 0.000 1.243 140 A HN -0.030 nan 8.150 nan 0.000 0.415 141 P HA -0.188 nan 4.420 nan 0.000 0.220 141 P C 0.380 177.676 177.300 -0.008 0.000 1.144 141 P CA 1.274 64.370 63.100 -0.006 0.000 0.800 141 P CB 0.273 31.977 31.700 0.008 0.000 0.772 142 D N -0.304 120.098 120.400 0.004 0.000 2.347 142 D HA 0.031 4.672 4.640 0.002 0.000 0.215 142 D C 1.677 177.977 176.300 0.000 0.000 0.976 142 D CA 0.761 54.767 54.000 0.009 0.000 0.884 142 D CB 0.052 40.862 40.800 0.018 0.000 0.915 142 D HN 0.214 nan 8.370 nan 0.000 0.526 143 A N 0.258 123.075 122.820 -0.006 0.000 2.348 143 A HA 0.092 4.412 4.320 0.002 0.000 0.224 143 A C 1.812 179.386 177.584 -0.017 0.000 1.227 143 A CA -0.204 51.831 52.037 -0.004 0.000 0.885 143 A CB 0.064 19.065 19.000 0.002 0.000 0.933 143 A HN 0.091 nan 8.150 nan 0.000 0.506 144 L N 0.422 121.622 121.223 -0.038 0.000 1.956 144 L HA -0.168 4.173 4.340 0.002 0.000 0.216 144 L C 2.639 179.464 176.870 -0.074 0.000 1.073 144 L CA 2.628 57.430 54.840 -0.063 0.000 0.762 144 L CB -0.917 41.086 42.059 -0.093 0.000 0.889 144 L HN 0.348 nan 8.230 nan 0.000 0.433 145 A N -0.430 122.330 122.820 -0.100 0.000 1.908 145 A HA -0.272 4.049 4.320 0.002 0.000 0.218 145 A C 2.158 179.710 177.584 -0.054 0.000 1.181 145 A CA 1.923 53.897 52.037 -0.106 0.000 0.627 145 A CB -0.876 18.050 19.000 -0.123 0.000 0.818 145 A HN 0.764 nan 8.150 nan 0.000 0.445 146 E N -0.388 119.796 120.200 -0.027 0.000 2.106 146 E HA -0.104 4.247 4.350 0.002 0.000 0.192 146 E C 1.684 178.296 176.600 0.020 0.000 0.984 146 E CA 1.395 57.792 56.400 -0.004 0.000 0.806 146 E CB -0.529 29.176 29.700 0.008 0.000 0.750 146 E HN 0.238 nan 8.360 nan 0.000 0.458 147 V N 1.366 121.301 119.914 0.034 0.000 2.407 147 V HA -0.229 3.892 4.120 0.002 0.000 0.248 147 V C 2.445 178.591 176.094 0.087 0.000 1.055 147 V CA 1.477 63.832 62.300 0.092 0.000 1.049 147 V CB -0.084 31.776 31.823 0.061 0.000 0.662 147 V HN 0.236 nan 8.190 nan 0.000 0.455 148 V N -0.807 119.132 119.914 0.043 0.000 2.379 148 V HA -0.216 3.905 4.120 0.002 0.000 0.245 148 V C 2.624 178.805 176.094 0.145 0.000 1.044 148 V CA 2.224 64.575 62.300 0.085 0.000 1.036 148 V CB -0.453 31.393 31.823 0.039 0.000 0.664 148 V HN 0.608 nan 8.190 nan 0.000 0.453 149 S N 0.478 116.202 115.700 0.040 0.000 2.356 149 S HA -0.215 4.256 4.470 0.002 0.000 0.223 149 S C 1.912 176.520 174.600 0.014 0.000 1.032 149 S CA 1.791 60.000 58.200 0.014 0.000 1.005 149 S CB -0.458 62.720 63.200 -0.036 0.000 0.867 149 S HN 0.653 nan 8.310 nan 0.000 0.449 150 N N 1.598 120.265 118.700 -0.055 0.000 2.289 150 N HA -0.005 4.736 4.740 0.002 0.000 0.184 150 N C 1.823 177.017 175.510 -0.526 0.000 1.016 150 N CA 1.125 54.057 53.050 -0.197 0.000 0.872 150 N CB -0.639 37.775 38.487 -0.122 0.000 0.973 150 N HN 0.533 nan 8.380 nan 0.000 0.433 151 A N 0.560 123.101 122.820 -0.464 0.000 1.898 151 A HA -0.067 4.254 4.320 0.002 0.000 0.216 151 A C 1.963 179.332 177.584 -0.357 0.000 1.181 151 A CA 0.932 52.608 52.037 -0.602 0.000 0.620 151 A CB -0.788 18.108 19.000 -0.173 0.000 0.819 151 A HN 0.138 nan 8.150 nan 0.000 0.442 152 F N 0.041 119.867 119.950 -0.207 0.000 2.146 152 F HA -0.102 4.426 4.527 0.001 0.000 0.298 152 F C 3.132 178.858 175.800 -0.122 0.000 1.096 152 F CA 1.860 59.786 58.000 -0.123 0.000 1.275 152 F CB -0.665 38.282 39.000 -0.088 0.000 1.008 152 F HN 0.303 nan 8.300 nan 0.000 0.480 153 R N 0.508 121.029 120.500 0.034 0.000 2.091 153 R HA -0.033 4.308 4.340 0.002 0.000 0.238 153 R C 2.272 178.536 176.300 -0.059 0.000 1.136 153 R CA 1.628 57.718 56.100 -0.016 0.000 0.959 153 R CB -1.962 28.313 30.300 -0.041 0.000 0.856 153 R HN 0.358 nan 8.270 nan 0.000 0.437 154 A N 0.418 123.142 122.820 -0.160 0.000 1.930 154 A HA 0.334 4.655 4.320 0.002 0.000 0.217 154 A C 2.774 180.325 177.584 -0.055 0.000 1.175 154 A CA 1.673 53.637 52.037 -0.123 0.000 0.627 154 A CB -0.629 18.226 19.000 -0.243 0.000 0.815 154 A HN 0.905 nan 8.150 nan 0.000 0.443 155 A N -0.033 122.735 122.820 -0.087 0.000 1.897 155 A HA -0.069 4.252 4.320 0.002 0.000 0.215 155 A C 1.860 179.437 177.584 -0.012 0.000 1.181 155 A CA 1.438 53.443 52.037 -0.052 0.000 0.620 155 A CB -0.328 18.594 19.000 -0.130 0.000 0.821 155 A HN 0.610 nan 8.150 nan 0.000 0.443 156 E N -0.642 119.560 120.200 0.004 0.000 2.340 156 E HA 0.012 4.363 4.350 0.002 0.000 0.194 156 E C 0.228 176.844 176.600 0.028 0.000 0.996 156 E CA 0.026 56.443 56.400 0.029 0.000 0.869 156 E CB 0.081 29.817 29.700 0.060 0.000 0.835 156 E HN 0.478 nan 8.360 nan 0.000 0.493 157 Q N 0.143 119.957 119.800 0.023 0.000 2.199 157 Q HA 0.336 4.677 4.340 0.002 0.000 0.232 157 Q C 0.935 176.958 176.000 0.038 0.000 0.969 157 Q CA 0.355 56.174 55.803 0.027 0.000 0.925 157 Q CB 0.820 29.571 28.738 0.021 0.000 1.198 157 Q HN 0.206 nan 8.270 nan 0.000 0.494 158 G N 1.383 110.210 108.800 0.044 0.000 2.596 158 G HA2 -0.345 3.616 3.960 0.002 0.000 0.295 158 G HA3 -0.345 3.616 3.960 0.002 0.000 0.295 158 G C -0.559 174.382 174.900 0.068 0.000 1.240 158 G CA 0.120 45.258 45.100 0.062 0.000 0.985 158 G HN 0.545 nan 8.290 nan 0.000 0.555 159 R N 1.815 122.368 120.500 0.088 0.000 2.205 159 R HA 0.407 4.748 4.340 0.002 0.000 0.342 159 R C -2.243 174.092 176.300 0.057 0.000 1.058 159 R CA -1.417 54.729 56.100 0.077 0.000 0.904 159 R CB 1.023 31.383 30.300 0.100 0.000 1.089 159 R HN 0.268 nan 8.270 nan 0.000 0.471 160 P HA -0.029 nan 4.420 nan 0.000 0.269 160 P C -0.003 177.319 177.300 0.035 0.000 1.205 160 P CA 0.208 63.328 63.100 0.033 0.000 0.780 160 P CB 0.735 32.450 31.700 0.025 0.000 0.858 161 G N -0.375 108.446 108.800 0.035 0.000 2.554 161 G HA2 0.511 4.472 3.960 0.002 0.000 0.306 161 G HA3 0.511 4.472 3.960 0.002 0.000 0.306 161 G C -1.264 173.665 174.900 0.048 0.000 1.320 161 G CA -0.470 44.658 45.100 0.047 0.000 0.800 161 G HN 0.544 nan 8.290 nan 0.000 0.481 162 S N -1.112 114.632 115.700 0.073 0.000 2.578 162 S HA 0.838 5.309 4.470 0.002 0.000 0.283 162 S C -0.043 174.627 174.600 0.118 0.000 1.195 162 S CA 0.147 58.397 58.200 0.084 0.000 1.050 162 S CB 1.767 65.037 63.200 0.115 0.000 1.012 162 S HN 2.011 nan 8.310 nan 0.000 0.511 163 A N 1.868 124.749 122.820 0.102 0.000 2.393 163 A HA 0.752 5.073 4.320 0.002 0.000 0.306 163 A C -1.294 176.402 177.584 0.187 0.000 1.050 163 A CA -0.675 51.474 52.037 0.186 0.000 0.724 163 A CB 0.959 20.010 19.000 0.085 0.000 1.248 163 A HN 0.920 nan 8.150 nan 0.000 0.424 164 F N 2.755 122.723 119.950 0.031 0.000 2.482 164 F HA 0.686 5.213 4.527 0.001 0.000 0.331 164 F C -1.008 174.716 175.800 -0.128 0.000 1.115 164 F CA -0.838 57.058 58.000 -0.174 0.000 0.955 164 F CB 1.979 40.701 39.000 -0.463 0.000 1.136 164 F HN 0.342 nan 8.300 nan 0.000 0.452 165 V N 4.886 124.191 119.914 -1.015 0.000 2.483 165 V HA 0.355 4.476 4.120 0.002 0.000 0.297 165 V C -0.483 174.962 176.094 -1.083 0.000 1.027 165 V CA -0.803 61.036 62.300 -0.769 0.000 0.855 165 V CB 1.507 33.148 31.823 -0.304 0.000 0.995 165 V HN 0.818 nan 8.190 nan 0.000 0.424 166 S N 6.005 121.213 115.700 -0.820 0.000 2.452 166 S HA 0.666 5.137 4.470 0.002 0.000 0.284 166 S C -0.613 173.844 174.600 -0.238 0.000 1.171 166 S CA -0.470 57.442 58.200 -0.480 0.000 1.064 166 S CB 0.164 63.252 63.200 -0.187 0.000 0.967 166 S HN 0.575 nan 8.310 nan 0.000 0.484 167 L N 7.078 128.203 121.223 -0.163 0.000 2.301 167 L HA 0.415 4.756 4.340 0.002 0.000 0.278 167 L C -2.386 174.458 176.870 -0.043 0.000 1.022 167 L CA -2.238 52.546 54.840 -0.094 0.000 0.854 167 L CB 1.536 43.544 42.059 -0.085 0.000 1.226 167 L HN 0.438 nan 8.230 nan 0.000 0.429 168 P HA -0.041 nan 4.420 nan 0.000 0.264 168 P C 0.460 177.760 177.300 0.000 0.000 1.193 168 P CA 0.109 63.204 63.100 -0.008 0.000 0.763 168 P CB 0.747 32.444 31.700 -0.006 0.000 0.810 169 Q N 3.962 123.767 119.800 0.009 0.000 2.096 169 Q HA -0.303 4.038 4.340 0.002 0.000 0.208 169 Q C 1.346 177.358 176.000 0.019 0.000 0.993 169 Q CA 2.335 58.147 55.803 0.015 0.000 0.862 169 Q CB -0.295 28.453 28.738 0.016 0.000 0.915 169 Q HN 0.538 nan 8.270 nan 0.000 0.416 170 D N -0.630 119.782 120.400 0.019 0.000 2.178 170 D HA -0.149 4.492 4.640 0.002 0.000 0.201 170 D C 1.862 178.179 176.300 0.030 0.000 0.980 170 D CA 1.355 55.371 54.000 0.026 0.000 0.842 170 D CB -0.363 40.450 40.800 0.022 0.000 0.948 170 D HN 0.292 nan 8.370 nan 0.000 0.472 171 V N 1.507 121.431 119.914 0.017 0.000 2.358 171 V HA -0.209 3.912 4.120 0.002 0.000 0.246 171 V C 2.950 179.055 176.094 0.017 0.000 1.047 171 V CA 1.723 64.030 62.300 0.011 0.000 1.035 171 V CB -0.368 31.450 31.823 -0.008 0.000 0.658 171 V HN 0.319 nan 8.190 nan 0.000 0.452 172 V N -1.824 118.099 119.914 0.016 0.000 2.719 172 V HA -0.071 4.050 4.120 0.002 0.000 0.252 172 V C 1.842 177.978 176.094 0.070 0.000 1.065 172 V CA 1.902 64.215 62.300 0.022 0.000 1.086 172 V CB -0.696 31.130 31.823 0.004 0.000 0.700 172 V HN 0.425 nan 8.190 nan 0.000 0.467 173 D N 1.652 122.097 120.400 0.075 0.000 2.183 173 D HA 0.180 4.820 4.640 0.002 0.000 0.205 173 D C 1.468 177.908 176.300 0.234 0.000 0.962 173 D CA 1.310 55.385 54.000 0.125 0.000 0.849 173 D CB -0.425 40.416 40.800 0.068 0.000 0.978 173 D HN 0.625 nan 8.370 nan 0.000 0.488 174 G N 0.776 109.655 108.800 0.131 0.000 2.539 174 G HA2 0.373 4.334 3.960 0.002 0.000 0.258 174 G HA3 0.373 4.334 3.960 0.002 0.000 0.258 174 G C -2.498 172.451 174.900 0.081 0.000 1.202 174 G CA -0.900 44.259 45.100 0.099 0.000 0.851 174 G HN -0.051 nan 8.290 nan 0.000 0.556 175 P HA 0.326 nan 4.420 nan 0.000 0.270 175 P C -0.425 176.916 177.300 0.068 0.000 1.223 175 P CA -0.301 62.815 63.100 0.028 0.000 0.785 175 P CB 1.347 33.045 31.700 -0.003 0.000 0.923 176 V N 0.449 120.438 119.914 0.124 0.000 3.120 176 V HA 0.608 4.729 4.120 0.002 0.000 0.303 176 V C -1.444 174.796 176.094 0.243 0.000 1.238 176 V CA -0.554 61.828 62.300 0.136 0.000 1.008 176 V CB 2.431 34.300 31.823 0.078 0.000 1.064 176 V HN 0.660 nan 8.190 nan 0.000 0.434 177 S N 3.304 119.115 115.700 0.185 0.000 2.478 177 S HA 1.016 5.487 4.470 0.002 0.000 0.312 177 S C -0.218 174.509 174.600 0.211 0.000 1.094 177 S CA 0.083 58.404 58.200 0.202 0.000 1.081 177 S CB 1.242 64.500 63.200 0.096 0.000 1.007 177 S HN 2.303 nan 8.310 nan 0.000 0.475 178 G N 0.333 109.321 108.800 0.314 0.000 2.321 178 G HA2 0.569 4.530 3.960 0.002 0.000 0.298 178 G HA3 0.569 4.530 3.960 0.002 0.000 0.298 178 G C -1.350 173.799 174.900 0.416 0.000 1.385 178 G CA -0.288 44.962 45.100 0.249 0.000 0.856 178 G HN 1.024 nan 8.290 nan 0.000 0.584 179 K N -0.657 119.890 120.400 0.246 0.000 2.340 179 K HA 0.922 5.243 4.320 0.002 0.000 0.244 179 K C 0.090 176.778 176.600 0.148 0.000 0.973 179 K CA -0.261 56.185 56.287 0.264 0.000 0.828 179 K CB 1.705 34.295 32.500 0.149 0.000 1.226 179 K HN 1.543 nan 8.250 nan 0.000 0.437 180 V N 2.017 122.023 119.914 0.154 0.000 2.740 180 V HA 0.255 4.376 4.120 0.002 0.000 0.303 180 V C 0.299 176.399 176.094 0.010 0.000 1.054 180 V CA -0.355 61.966 62.300 0.035 0.000 1.106 180 V CB 0.646 32.494 31.823 0.042 0.000 0.957 180 V HN 0.661 nan 8.190 nan 0.000 0.486 181 L N 5.795 127.000 121.223 -0.030 0.000 2.265 181 L HA 0.510 4.851 4.340 0.002 0.000 0.289 181 L C -1.443 175.398 176.870 -0.048 0.000 1.033 181 L CA -1.349 53.474 54.840 -0.029 0.000 0.814 181 L CB 1.061 43.101 42.059 -0.032 0.000 1.203 181 L HN 0.588 nan 8.230 nan 0.000 0.423 182 P HA 0.273 nan 4.420 nan 0.000 0.268 182 P C -0.166 177.101 177.300 -0.054 0.000 1.208 182 P CA -0.204 62.869 63.100 -0.044 0.000 0.777 182 P CB 0.735 32.418 31.700 -0.027 0.000 0.875 183 A N 2.190 124.970 122.820 -0.066 0.000 2.409 183 A HA 0.575 4.896 4.320 0.002 0.000 0.267 183 A C 1.805 179.368 177.584 -0.034 0.000 1.127 183 A CA 0.732 52.731 52.037 -0.063 0.000 0.795 183 A CB -0.605 18.345 19.000 -0.083 0.000 1.061 183 A HN 0.905 nan 8.150 nan 0.000 0.502 184 S N 2.099 117.786 115.700 -0.023 0.000 2.500 184 S HA 0.331 4.802 4.470 0.002 0.000 0.210 184 S C 1.733 176.329 174.600 -0.008 0.000 1.101 184 S CA 2.363 60.556 58.200 -0.012 0.000 1.272 184 S CB -0.644 62.552 63.200 -0.006 0.000 1.071 184 S HN 2.515 nan 8.310 nan 0.000 0.397 185 G N -0.637 108.162 108.800 -0.001 0.000 2.472 185 G HA2 0.368 4.329 3.960 0.002 0.000 0.217 185 G HA3 0.368 4.329 3.960 0.002 0.000 0.217 185 G C 0.662 175.565 174.900 0.006 0.000 2.125 185 G CA 0.635 45.736 45.100 0.003 0.000 1.637 185 G HN 1.747 nan 8.290 nan 0.000 0.548 190 G N 0.110 108.916 108.800 0.010 0.000 2.705 190 G HA2 0.833 4.794 3.960 0.002 0.000 0.299 190 G HA3 0.833 4.794 3.960 0.002 0.000 0.299 190 G C -0.600 174.306 174.900 0.009 0.000 1.315 190 G CA -0.349 44.756 45.100 0.008 0.000 1.045 190 G HN 0.940 nan 8.290 nan 0.000 0.517 191 A N -0.718 122.106 122.820 0.007 0.000 2.536 191 A HA 0.543 4.864 4.320 0.002 0.000 0.234 191 A C 1.226 178.818 177.584 0.014 0.000 1.076 191 A CA 0.599 52.641 52.037 0.008 0.000 0.769 191 A CB -0.418 18.585 19.000 0.005 0.000 1.020 191 A HN 1.950 nan 8.150 nan 0.000 0.508 192 A N 2.091 124.922 122.820 0.018 0.000 2.433 192 A HA 0.492 4.813 4.320 0.002 0.000 0.250 192 A C -1.782 175.814 177.584 0.020 0.000 1.113 192 A CA -0.499 51.553 52.037 0.024 0.000 0.794 192 A CB -0.738 18.281 19.000 0.032 0.000 1.067 192 A HN 0.765 nan 8.150 nan 0.000 0.510 193 P HA 0.098 nan 4.420 nan 0.000 0.271 193 P C -0.531 176.780 177.300 0.017 0.000 1.216 193 P CA 0.055 63.166 63.100 0.017 0.000 0.771 193 P CB 0.615 32.325 31.700 0.017 0.000 0.864 194 D N 1.080 121.489 120.400 0.014 0.000 2.133 194 D HA -0.237 4.404 4.640 0.002 0.000 0.192 194 D C 1.592 177.901 176.300 0.015 0.000 1.001 194 D CA 1.552 55.560 54.000 0.014 0.000 0.844 194 D CB -0.438 40.368 40.800 0.011 0.000 0.944 194 D HN 0.538 nan 8.370 nan 0.000 0.447 195 D N 0.175 120.584 120.400 0.014 0.000 2.133 195 D HA -0.201 4.440 4.640 0.002 0.000 0.195 195 D C 1.945 178.256 176.300 0.018 0.000 0.997 195 D CA 1.609 55.618 54.000 0.014 0.000 0.840 195 D CB -0.076 40.732 40.800 0.013 0.000 0.947 195 D HN 0.187 nan 8.370 nan 0.000 0.452 196 A N 1.114 123.946 122.820 0.021 0.000 1.845 196 A HA -0.127 4.194 4.320 0.002 0.000 0.215 196 A C 2.635 180.237 177.584 0.029 0.000 1.195 196 A CA 1.527 53.580 52.037 0.026 0.000 0.616 196 A CB -0.952 18.067 19.000 0.031 0.000 0.832 196 A HN 0.374 nan 8.150 nan 0.000 0.443 197 I N 0.013 120.600 120.570 0.028 0.000 2.315 197 I HA -0.279 3.892 4.170 0.002 0.000 0.251 197 I C 1.792 177.925 176.117 0.026 0.000 1.125 197 I CA 1.563 62.880 61.300 0.029 0.000 1.392 197 I CB -0.518 37.496 38.000 0.023 0.000 1.065 197 I HN 0.348 nan 8.210 nan 0.000 0.424 198 D N 0.230 120.643 120.400 0.022 0.000 2.137 198 D HA -0.194 4.447 4.640 0.002 0.000 0.202 198 D C 2.096 178.408 176.300 0.019 0.000 0.970 198 D CA 1.011 55.022 54.000 0.019 0.000 0.837 198 D CB -0.187 40.623 40.800 0.016 0.000 0.981 198 D HN 0.444 nan 8.370 nan 0.000 0.475 199 Q N 0.992 120.804 119.800 0.019 0.000 2.135 199 Q HA -0.135 4.206 4.340 0.002 0.000 0.204 199 Q C 2.157 178.169 176.000 0.020 0.000 0.981 199 Q CA 1.165 56.979 55.803 0.018 0.000 0.856 199 Q CB 0.197 28.945 28.738 0.018 0.000 0.902 199 Q HN 0.057 nan 8.270 nan 0.000 0.425 200 V N 0.954 120.885 119.914 0.027 0.000 2.307 200 V HA -0.237 3.884 4.120 0.002 0.000 0.245 200 V C 2.436 178.545 176.094 0.026 0.000 1.045 200 V CA 1.697 64.017 62.300 0.033 0.000 1.024 200 V CB -1.140 30.713 31.823 0.051 0.000 0.651 200 V HN 0.522 nan 8.190 nan 0.000 0.449 201 A N 0.073 122.908 122.820 0.026 0.000 1.948 201 A HA -0.285 4.036 4.320 0.002 0.000 0.220 201 A C 2.347 179.934 177.584 0.006 0.000 1.177 201 A CA 2.218 54.266 52.037 0.017 0.000 0.636 201 A CB -0.531 18.480 19.000 0.017 0.000 0.815 201 A HN 0.437 nan 8.150 nan 0.000 0.449 202 K N 0.098 120.503 120.400 0.009 0.000 2.148 202 K HA -0.031 4.290 4.320 0.002 0.000 0.204 202 K C 1.789 178.390 176.600 0.002 0.000 1.050 202 K CA 1.332 57.624 56.287 0.007 0.000 0.942 202 K CB -0.406 32.101 32.500 0.010 0.000 0.724 202 K HN 0.529 nan 8.250 nan 0.000 0.446 203 L N 0.600 121.824 121.223 0.001 0.000 2.156 203 L HA -0.076 4.265 4.340 0.002 0.000 0.208 203 L C 2.440 179.298 176.870 -0.020 0.000 1.095 203 L CA 0.648 55.485 54.840 -0.005 0.000 0.770 203 L CB -0.175 41.883 42.059 -0.001 0.000 0.914 203 L HN 0.098 nan 8.230 nan 0.000 0.439 204 I N -0.265 120.290 120.570 -0.025 0.000 2.353 204 I HA -0.203 3.968 4.170 0.002 0.000 0.248 204 I C 2.630 178.714 176.117 -0.056 0.000 1.119 204 I CA 0.950 62.221 61.300 -0.049 0.000 1.417 204 I CB -0.317 37.659 38.000 -0.040 0.000 1.078 204 I HN 0.163 nan 8.210 nan 0.000 0.421 205 A N -0.053 122.742 122.820 -0.041 0.000 2.121 205 A HA -0.165 4.156 4.320 0.002 0.000 0.218 205 A C 2.044 179.628 177.584 -0.001 0.000 1.154 205 A CA 1.229 53.246 52.037 -0.034 0.000 0.679 205 A CB -0.316 18.682 19.000 -0.004 0.000 0.795 205 A HN 0.532 nan 8.150 nan 0.000 0.458 206 Q N -0.914 118.883 119.800 -0.005 0.000 2.281 206 Q HA 0.382 4.723 4.340 0.002 0.000 0.215 206 Q C 0.467 176.464 176.000 -0.005 0.000 0.867 206 Q CA 0.133 55.938 55.803 0.003 0.000 0.940 206 Q CB 0.424 29.164 28.738 0.004 0.000 1.111 206 Q HN 0.544 nan 8.270 nan 0.000 0.513 207 A N 1.144 123.953 122.820 -0.019 0.000 2.409 207 A HA 0.177 4.498 4.320 0.002 0.000 0.262 207 A C 0.712 178.284 177.584 -0.020 0.000 1.113 207 A CA -0.227 51.794 52.037 -0.027 0.000 0.790 207 A CB 0.479 19.447 19.000 -0.052 0.000 1.046 207 A HN -0.052 nan 8.150 nan 0.000 0.496 208 K N 1.262 121.653 120.400 -0.015 0.000 2.276 208 K HA 0.052 4.373 4.320 0.002 0.000 0.198 208 K C -0.105 176.486 176.600 -0.016 0.000 1.052 208 K CA 1.039 57.321 56.287 -0.008 0.000 0.984 208 K CB 0.069 32.568 32.500 -0.002 0.000 0.836 208 K HN 0.784 nan 8.250 nan 0.000 0.490 209 N N 1.449 120.134 118.700 -0.024 0.000 2.765 209 N HA 0.148 4.888 4.740 0.002 0.000 0.277 209 N C -2.817 172.662 175.510 -0.052 0.000 1.750 209 N CA -0.976 52.056 53.050 -0.031 0.000 0.827 209 N CB 1.898 40.374 38.487 -0.018 0.000 1.200 209 N HN 0.003 nan 8.380 nan 0.000 0.494 210 P HA 0.345 nan 4.420 nan 0.000 0.281 210 P C -0.688 176.498 177.300 -0.190 0.000 1.249 210 P CA -0.371 62.638 63.100 -0.152 0.000 0.810 210 P CB 2.102 33.684 31.700 -0.197 0.000 1.008 211 I N 1.266 121.686 120.570 -0.251 0.000 2.743 211 I HA 0.376 4.547 4.170 0.002 0.000 0.292 211 I C -1.469 174.493 176.117 -0.260 0.000 1.343 211 I CA -1.158 60.010 61.300 -0.220 0.000 1.038 211 I CB 1.490 39.433 38.000 -0.095 0.000 1.311 211 I HN 0.116 nan 8.210 nan 0.000 0.426 212 F N 7.081 127.018 119.950 -0.022 0.000 2.394 212 F HA 0.461 4.989 4.527 0.001 0.000 0.340 212 F C -0.267 175.464 175.800 -0.113 0.000 1.105 212 F CA -0.695 57.273 58.000 -0.054 0.000 1.124 212 F CB 1.576 40.553 39.000 -0.039 0.000 1.145 212 F HN 0.254 nan 8.300 nan 0.000 0.505 213 L N 5.820 127.053 121.223 0.016 0.000 2.318 213 L HA 0.483 4.824 4.340 0.002 0.000 0.277 213 L C -1.157 175.641 176.870 -0.121 0.000 1.008 213 L CA -0.460 54.260 54.840 -0.200 0.000 0.846 213 L CB 0.634 42.361 42.059 -0.552 0.000 1.220 213 L HN 0.453 nan 8.230 nan 0.000 0.423 214 L N 5.160 126.347 121.223 -0.060 0.000 2.305 214 L HA 0.689 5.030 4.340 0.002 0.000 0.281 214 L C 0.875 177.766 176.870 0.035 0.000 1.085 214 L CA -0.316 54.516 54.840 -0.013 0.000 0.813 214 L CB 1.022 43.073 42.059 -0.013 0.000 1.157 214 L HN 0.762 nan 8.230 nan 0.000 0.436 215 G N 1.163 110.028 108.800 0.108 0.000 2.667 215 G HA2 0.393 4.354 3.960 0.002 0.000 0.310 215 G HA3 0.393 4.354 3.960 0.002 0.000 0.310 215 G C 0.461 175.415 174.900 0.089 0.000 1.259 215 G CA -0.753 44.459 45.100 0.188 0.000 1.019 215 G HN 0.565 nan 8.290 nan 0.000 0.496 216 L N -0.006 121.262 121.223 0.075 0.000 2.040 216 L HA -0.225 4.116 4.340 0.002 0.000 0.228 216 L C 2.589 179.473 176.870 0.023 0.000 1.092 216 L CA 2.432 57.295 54.840 0.038 0.000 0.805 216 L CB -0.381 41.694 42.059 0.027 0.000 0.905 216 L HN 0.408 nan 8.230 nan 0.000 0.443 217 M N -0.620 118.999 119.600 0.031 0.000 2.346 217 M HA -0.098 4.383 4.480 0.002 0.000 0.263 217 M C 2.322 178.620 176.300 -0.004 0.000 1.064 217 M CA 1.563 56.874 55.300 0.018 0.000 1.083 217 M CB -1.965 30.654 32.600 0.032 0.000 1.399 217 M HN 0.544 nan 8.290 nan 0.000 0.435 218 A N 0.110 122.925 122.820 -0.009 0.000 2.067 218 A HA -0.060 4.261 4.320 0.002 0.000 0.219 218 A C 2.291 179.844 177.584 -0.052 0.000 1.158 218 A CA 1.706 53.718 52.037 -0.043 0.000 0.661 218 A CB -0.653 18.315 19.000 -0.053 0.000 0.801 218 A HN 0.596 nan 8.150 nan 0.000 0.452 219 S N -0.788 114.891 115.700 -0.035 0.000 2.593 219 S HA 0.071 4.542 4.470 0.002 0.000 0.217 219 S C 0.540 175.117 174.600 -0.038 0.000 0.966 219 S CA -0.349 57.826 58.200 -0.042 0.000 0.914 219 S CB -0.138 63.041 63.200 -0.034 0.000 0.776 219 S HN 0.467 nan 8.310 nan 0.000 0.523 220 Q N 2.612 122.394 119.800 -0.030 0.000 2.337 220 Q HA 0.188 4.529 4.340 0.002 0.000 0.270 220 Q C -1.545 174.437 176.000 -0.031 0.000 1.002 220 Q CA -1.899 53.889 55.803 -0.024 0.000 0.888 220 Q CB 0.421 29.151 28.738 -0.014 0.000 1.222 220 Q HN 0.233 nan 8.270 nan 0.000 0.400 221 P HA -0.204 nan 4.420 nan 0.000 0.218 221 P C -0.007 177.275 177.300 -0.029 0.000 1.146 221 P CA 1.330 64.413 63.100 -0.029 0.000 0.820 221 P CB 0.398 32.084 31.700 -0.023 0.000 0.778 222 E N -0.382 119.804 120.200 -0.024 0.000 2.515 222 E HA -0.060 4.291 4.350 0.002 0.000 0.201 222 E C 1.012 177.593 176.600 -0.031 0.000 1.071 222 E CA 0.542 56.928 56.400 -0.022 0.000 0.880 222 E CB -0.600 29.091 29.700 -0.015 0.000 0.828 222 E HN 0.399 nan 8.360 nan 0.000 0.540 223 N N -1.312 117.363 118.700 -0.041 0.000 2.118 223 N HA 0.042 4.783 4.740 0.002 0.000 0.226 223 N C 0.885 176.353 175.510 -0.071 0.000 1.305 223 N CA 0.131 53.147 53.050 -0.056 0.000 0.890 223 N CB 0.589 39.039 38.487 -0.061 0.000 1.118 223 N HN -0.031 nan 8.380 nan 0.000 0.511 224 S N 1.534 117.196 115.700 -0.063 0.000 2.370 224 S HA -0.204 4.267 4.470 0.002 0.000 0.226 224 S C 2.254 176.811 174.600 -0.072 0.000 1.033 224 S CA 2.306 60.464 58.200 -0.071 0.000 1.011 224 S CB 0.103 63.270 63.200 -0.056 0.000 0.852 224 S HN 0.530 nan 8.310 nan 0.000 0.457 225 K N 0.929 121.294 120.400 -0.057 0.000 2.007 225 K HA 0.324 4.645 4.320 0.002 0.000 0.206 225 K C 2.412 178.974 176.600 -0.063 0.000 1.047 225 K CA 1.542 57.798 56.287 -0.052 0.000 0.937 225 K CB -1.634 30.844 32.500 -0.037 0.000 0.718 225 K HN 0.582 nan 8.250 nan 0.000 0.438 226 A N 0.698 123.478 122.820 -0.066 0.000 1.908 226 A HA 0.012 4.333 4.320 0.002 0.000 0.218 226 A C 2.423 179.940 177.584 -0.113 0.000 1.181 226 A CA 1.840 53.832 52.037 -0.075 0.000 0.627 226 A CB -0.504 18.455 19.000 -0.068 0.000 0.818 226 A HN 0.572 nan 8.150 nan 0.000 0.445 227 L N -0.029 121.111 121.223 -0.139 0.000 2.017 227 L HA -0.128 4.213 4.340 0.002 0.000 0.208 227 L C 2.878 179.621 176.870 -0.212 0.000 1.073 227 L CA 2.851 57.567 54.840 -0.207 0.000 0.745 227 L CB -0.999 40.935 42.059 -0.208 0.000 0.894 227 L HN 0.451 nan 8.230 nan 0.000 0.432 228 R N -0.137 120.270 120.500 -0.156 0.000 2.096 228 R HA -0.172 4.169 4.340 0.002 0.000 0.240 228 R C 2.404 178.647 176.300 -0.094 0.000 1.139 228 R CA 2.738 58.760 56.100 -0.129 0.000 0.952 228 R CB -2.021 28.231 30.300 -0.080 0.000 0.854 228 R HN 0.593 nan 8.270 nan 0.000 0.436 229 R N 0.417 120.871 120.500 -0.078 0.000 2.070 229 R HA 0.105 4.446 4.340 0.002 0.000 0.232 229 R C 2.529 178.797 176.300 -0.052 0.000 1.138 229 R CA 1.755 57.826 56.100 -0.049 0.000 0.936 229 R CB -1.436 28.838 30.300 -0.043 0.000 0.839 229 R HN 0.602 nan 8.270 nan 0.000 0.429 230 L N 0.740 121.906 121.223 -0.095 0.000 2.043 230 L HA -0.103 4.238 4.340 0.002 0.000 0.212 230 L C 2.470 179.301 176.870 -0.066 0.000 1.075 230 L CA 1.968 56.748 54.840 -0.099 0.000 0.752 230 L CB -0.369 41.566 42.059 -0.206 0.000 0.891 230 L HN 0.452 nan 8.230 nan 0.000 0.432 231 L N -0.967 120.163 121.223 -0.154 0.000 2.093 231 L HA -0.154 4.187 4.340 0.002 0.000 0.208 231 L C 2.467 179.443 176.870 0.177 0.000 1.085 231 L CA 1.294 56.053 54.840 -0.134 0.000 0.755 231 L CB -0.654 41.045 42.059 -0.599 0.000 0.904 231 L HN 0.348 nan 8.230 nan 0.000 0.435 232 E N -0.429 119.851 120.200 0.132 0.000 2.274 232 E HA -0.163 4.188 4.350 0.002 0.000 0.194 232 E C 2.073 178.723 176.600 0.084 0.000 0.996 232 E CA 1.648 58.189 56.400 0.234 0.000 0.840 232 E CB 0.005 29.783 29.700 0.129 0.000 0.772 232 E HN 0.578 nan 8.360 nan 0.000 0.491 233 T N -1.909 112.671 114.554 0.044 0.000 3.051 233 T HA 0.004 4.355 4.350 0.002 0.000 0.255 233 T C 2.041 176.735 174.700 -0.009 0.000 1.085 233 T CA 0.834 62.923 62.100 -0.019 0.000 1.109 233 T CB 0.190 69.057 68.868 -0.002 0.000 0.921 233 T HN 0.112 nan 8.240 nan 0.000 0.488 234 S N 0.162 115.922 115.700 0.099 0.000 2.499 234 S HA 0.117 4.588 4.470 0.002 0.000 0.225 234 S C 0.921 175.685 174.600 0.274 0.000 1.050 234 S CA 0.292 58.581 58.200 0.149 0.000 0.928 234 S CB -0.912 62.428 63.200 0.233 0.000 0.803 234 S HN 0.717 nan 8.310 nan 0.000 0.506 235 H N 0.759 119.989 119.070 0.268 0.000 2.776 235 H HA -0.100 4.456 4.556 0.001 0.000 0.300 235 H C -0.713 174.804 175.328 0.315 0.000 1.161 235 H CA 0.386 56.639 56.048 0.342 0.000 1.147 235 H CB -1.626 28.236 29.762 0.167 0.000 1.366 235 H HN 0.492 nan 8.280 nan 0.000 0.397 236 I N 1.149 122.004 120.570 0.475 0.000 2.519 236 I HA 0.141 4.312 4.170 0.002 0.000 0.287 236 I C -1.781 174.588 176.117 0.419 0.000 1.047 236 I CA -1.824 59.637 61.300 0.269 0.000 1.381 236 I CB 0.930 38.933 38.000 0.006 0.000 1.417 236 I HN -0.115 nan 8.210 nan 0.000 0.540 237 P HA 0.062 nan 4.420 nan 0.000 0.267 237 P C -1.087 176.416 177.300 0.339 0.000 1.200 237 P CA 0.035 63.284 63.100 0.247 0.000 0.772 237 P CB 0.588 32.322 31.700 0.057 0.000 0.855 238 V N 2.023 122.179 119.914 0.404 0.000 2.709 238 V HA 0.601 4.722 4.120 0.002 0.000 0.308 238 V C -0.019 176.164 176.094 0.147 0.000 1.062 238 V CA -0.291 62.209 62.300 0.334 0.000 0.901 238 V CB 2.212 34.267 31.823 0.386 0.000 1.003 238 V HN 0.509 nan 8.190 nan 0.000 0.425 239 T N 2.703 117.275 114.554 0.030 0.000 2.909 239 T HA 0.717 5.068 4.350 0.002 0.000 0.299 239 T C -0.816 173.844 174.700 -0.067 0.000 1.073 239 T CA -0.232 61.783 62.100 -0.141 0.000 0.999 239 T CB 1.688 70.433 68.868 -0.206 0.000 1.098 239 T HN 0.736 nan 8.240 nan 0.000 0.477 240 S N 1.621 117.276 115.700 -0.075 0.000 2.570 240 S HA 0.684 5.155 4.470 0.002 0.000 0.286 240 S C 0.019 174.515 174.600 -0.174 0.000 1.099 240 S CA -0.956 57.211 58.200 -0.055 0.000 0.913 240 S CB 1.790 65.032 63.200 0.070 0.000 1.085 240 S HN 1.006 nan 8.310 nan 0.000 0.480 241 T N -0.511 113.982 114.554 -0.102 0.000 2.788 241 T HA 0.335 4.686 4.350 0.002 0.000 0.287 241 T C 0.530 175.153 174.700 -0.128 0.000 1.007 241 T CA -0.215 61.834 62.100 -0.086 0.000 1.005 241 T CB 0.028 68.970 68.868 0.123 0.000 1.012 241 T HN 0.502 nan 8.240 nan 0.000 0.530 242 Y N 0.182 120.485 120.300 0.006 0.000 2.421 242 Y HA -0.032 4.519 4.550 0.001 0.000 0.292 242 Y C 3.030 178.943 175.900 0.021 0.000 1.136 242 Y CA 1.010 59.123 58.100 0.020 0.000 1.255 242 Y CB -0.366 38.107 38.460 0.022 0.000 0.991 242 Y HN 0.670 nan 8.280 nan 0.000 0.552 243 Q N -0.736 119.153 119.800 0.147 0.000 2.224 243 Q HA -0.076 4.265 4.340 0.002 0.000 0.203 243 Q C 1.611 177.636 176.000 0.043 0.000 0.970 243 Q CA 1.089 56.942 55.803 0.083 0.000 0.865 243 Q CB -0.064 28.716 28.738 0.070 0.000 0.922 243 Q HN 0.434 nan 8.270 nan 0.000 0.445 244 A N -0.180 122.660 122.820 0.034 0.000 2.545 244 A HA 0.471 4.792 4.320 0.002 0.000 0.277 244 A C 1.682 179.261 177.584 -0.008 0.000 1.301 244 A CA 0.442 52.483 52.037 0.007 0.000 0.935 244 A CB 0.018 19.026 19.000 0.013 0.000 1.093 244 A HN 0.274 nan 8.150 nan 0.000 0.519 245 A N -0.202 122.617 122.820 -0.002 0.000 2.042 245 A HA -0.015 4.306 4.320 0.002 0.000 0.222 245 A C 2.037 179.611 177.584 -0.017 0.000 1.167 245 A CA 1.953 53.987 52.037 -0.005 0.000 0.649 245 A CB -0.637 18.394 19.000 0.052 0.000 0.809 245 A HN 0.856 nan 8.150 nan 0.000 0.457 246 G N -1.817 106.964 108.800 -0.033 0.000 2.939 246 G HA2 0.302 4.263 3.960 0.002 0.000 0.210 246 G HA3 0.302 4.263 3.960 0.002 0.000 0.210 246 G C 1.417 176.262 174.900 -0.091 0.000 1.160 246 G CA 0.940 46.004 45.100 -0.059 0.000 0.770 246 G HN 0.696 nan 8.290 nan 0.000 0.543 247 A N -0.241 122.525 122.820 -0.089 0.000 1.908 247 A HA 0.293 4.614 4.320 0.002 0.000 0.218 247 A C 0.901 178.383 177.584 -0.170 0.000 1.181 247 A CA 1.370 53.341 52.037 -0.109 0.000 0.627 247 A CB -0.062 18.886 19.000 -0.086 0.000 0.818 247 A HN 0.355 nan 8.150 nan 0.000 0.445 248 V N -0.603 119.159 119.914 -0.253 0.000 3.087 248 V HA 0.460 4.581 4.120 0.002 0.000 0.306 248 V C -1.162 174.479 176.094 -0.755 0.000 1.187 248 V CA -0.506 61.556 62.300 -0.397 0.000 0.999 248 V CB 2.201 33.817 31.823 -0.345 0.000 1.049 248 V HN 0.768 nan 8.190 nan 0.000 0.431 249 N N 1.114 119.430 118.700 -0.641 0.000 2.509 249 N HA 0.434 5.174 4.740 0.002 0.000 0.280 249 N C 0.309 175.569 175.510 -0.418 0.000 1.306 249 N CA -0.876 51.779 53.050 -0.658 0.000 0.782 249 N CB 1.234 39.581 38.487 -0.233 0.000 1.493 249 N HN 0.386 nan 8.380 nan 0.000 0.498 250 Q N -0.425 119.324 119.800 -0.085 0.000 2.181 250 Q HA -0.105 4.236 4.340 0.002 0.000 0.205 250 Q C 0.349 176.391 176.000 0.069 0.000 0.980 250 Q CA 1.909 57.805 55.803 0.155 0.000 0.862 250 Q CB -0.288 28.584 28.738 0.225 0.000 0.905 250 Q HN 0.677 nan 8.270 nan 0.000 0.429 251 D N -0.257 120.164 120.400 0.035 0.000 2.091 251 D HA -0.117 4.524 4.640 0.002 0.000 0.199 251 D C 1.244 177.563 176.300 0.032 0.000 0.980 251 D CA 1.471 55.489 54.000 0.031 0.000 0.831 251 D CB -0.558 40.260 40.800 0.030 0.000 0.987 251 D HN 0.546 nan 8.370 nan 0.000 0.460 252 N N -0.327 118.388 118.700 0.025 0.000 2.521 252 N HA -0.075 4.666 4.740 0.002 0.000 0.188 252 N C -0.427 175.187 175.510 0.173 0.000 1.146 252 N CA 0.180 53.264 53.050 0.057 0.000 0.893 252 N CB -0.126 38.368 38.487 0.012 0.000 0.975 252 N HN 0.043 nan 8.380 nan 0.000 0.451 253 F N 0.599 120.515 119.950 -0.057 0.000 2.915 253 F HA 0.315 4.843 4.527 0.002 0.000 0.350 253 F C 0.777 176.577 175.800 -0.001 0.000 1.248 253 F CA -1.481 56.495 58.000 -0.038 0.000 1.084 253 F CB 0.767 39.752 39.000 -0.024 0.000 1.391 253 F HN 0.029 nan 8.300 nan 0.000 0.548 254 S N 3.566 119.026 115.700 -0.399 0.000 2.442 254 S HA -0.076 4.395 4.470 0.002 0.000 0.236 254 S C 1.308 175.651 174.600 -0.429 0.000 1.007 254 S CA 0.759 58.756 58.200 -0.339 0.000 0.965 254 S CB -0.249 62.775 63.200 -0.294 0.000 0.773 254 S HN 0.744 nan 8.310 nan 0.000 0.504 255 R N 0.190 120.165 120.500 -0.875 0.000 2.480 255 R HA 0.340 4.681 4.340 0.002 0.000 0.277 255 R C -0.565 175.660 176.300 -0.125 0.000 1.008 255 R CA -0.462 55.310 56.100 -0.547 0.000 1.090 255 R CB -0.154 29.787 30.300 -0.598 0.000 1.234 255 R HN 0.421 nan 8.270 nan 0.000 0.549 256 F N 0.782 120.671 119.950 -0.101 0.000 2.484 256 F HA 0.193 4.721 4.527 0.001 0.000 0.360 256 F C 0.819 176.624 175.800 0.008 0.000 1.101 256 F CA -0.825 57.253 58.000 0.129 0.000 1.251 256 F CB 0.914 40.007 39.000 0.154 0.000 1.132 256 F HN -0.028 nan 8.300 nan 0.000 0.570 257 A N 4.607 127.062 122.820 -0.608 0.000 2.465 257 A HA 0.593 4.914 4.320 0.002 0.000 0.255 257 A C 0.854 177.975 177.584 -0.771 0.000 1.274 257 A CA 0.290 52.001 52.037 -0.544 0.000 0.920 257 A CB -1.186 17.641 19.000 -0.289 0.000 1.033 257 A HN 1.781 nan 8.150 nan 0.000 0.516 258 G N -0.493 107.348 108.800 -1.600 0.000 2.757 258 G HA2 -0.041 3.920 3.960 0.002 0.000 0.638 258 G HA3 -0.041 3.920 3.960 0.002 0.000 0.638 258 G C -0.693 173.852 174.900 -0.591 0.000 1.344 258 G CA -0.814 43.718 45.100 -0.947 0.000 0.855 258 G HN 0.528 nan 8.290 nan 0.000 0.537 259 R N -0.769 119.552 120.500 -0.297 0.000 2.349 259 R HA 0.622 4.963 4.340 0.002 0.000 0.299 259 R C 0.653 176.708 176.300 -0.408 0.000 1.027 259 R CA 0.101 55.936 56.100 -0.442 0.000 0.958 259 R CB 1.412 31.201 30.300 -0.852 0.000 1.047 259 R HN 1.389 nan 8.270 nan 0.000 0.468 260 V N 0.106 119.744 119.914 -0.459 0.000 2.667 260 V HA 0.948 5.069 4.120 0.002 0.000 0.308 260 V C 0.786 176.469 176.094 -0.685 0.000 1.048 260 V CA 0.060 62.077 62.300 -0.473 0.000 0.928 260 V CB 1.587 33.112 31.823 -0.497 0.000 1.004 260 V HN 0.821 nan 8.190 nan 0.000 0.444 261 G N 1.748 110.190 108.800 -0.597 0.000 2.551 261 G HA2 -0.125 3.836 3.960 0.002 0.000 0.186 261 G HA3 -0.125 3.836 3.960 0.002 0.000 0.186 261 G C -0.022 174.931 174.900 0.089 0.000 1.002 261 G CA 0.425 45.322 45.100 -0.337 0.000 0.723 261 G HN 0.905 nan 8.290 nan 0.000 0.481 262 L N -0.245 120.985 121.223 0.012 0.000 2.666 262 L HA 0.685 5.026 4.340 0.002 0.000 0.184 262 L C 0.384 176.889 176.870 -0.610 0.000 1.092 262 L CA 0.402 55.034 54.840 -0.347 0.000 0.857 262 L CB -0.105 41.541 42.059 -0.687 0.000 1.281 262 L HN 0.088 nan 8.230 nan 0.000 0.489 263 F N 0.747 120.572 119.950 -0.209 0.000 2.377 263 F HA 0.225 4.754 4.527 0.002 0.000 0.328 263 F C 1.184 176.607 175.800 -0.628 0.000 1.094 263 F CA -0.469 57.330 58.000 -0.334 0.000 1.093 263 F CB 0.434 39.325 39.000 -0.181 0.000 1.214 263 F HN 0.175 nan 8.300 nan 0.000 0.518 264 N N -0.090 118.426 118.700 -0.308 0.000 2.322 264 N HA -0.019 4.722 4.740 0.002 0.000 0.194 264 N C -0.422 175.071 175.510 -0.028 0.000 1.126 264 N CA -0.057 52.847 53.050 -0.244 0.000 0.845 264 N CB -0.561 37.897 38.487 -0.049 0.000 0.976 264 N HN 0.540 nan 8.380 nan 0.000 0.475 265 N N -0.791 117.898 118.700 -0.018 0.000 2.497 265 N HA 0.073 4.814 4.740 0.002 0.000 0.284 265 N C -0.855 174.632 175.510 -0.037 0.000 1.459 265 N CA -0.427 52.613 53.050 -0.018 0.000 0.899 265 N CB 0.181 38.644 38.487 -0.040 0.000 1.316 265 N HN -0.011 nan 8.380 nan 0.000 0.500 266 Q N 0.218 120.008 119.800 -0.017 0.000 2.259 266 Q HA 0.454 4.795 4.340 0.002 0.000 0.249 266 Q C 0.827 176.792 176.000 -0.059 0.000 0.914 266 Q CA -0.143 55.630 55.803 -0.051 0.000 0.904 266 Q CB 1.852 30.567 28.738 -0.038 0.000 1.213 266 Q HN 0.383 nan 8.270 nan 0.000 0.428 267 A N 2.868 125.623 122.820 -0.109 0.000 1.972 267 A HA -0.109 4.212 4.320 0.002 0.000 0.219 267 A C 1.858 179.383 177.584 -0.098 0.000 1.169 267 A CA 1.825 53.798 52.037 -0.107 0.000 0.635 267 A CB -0.730 18.182 19.000 -0.147 0.000 0.810 267 A HN 0.859 nan 8.150 nan 0.000 0.446 268 G N -0.079 108.638 108.800 -0.138 0.000 2.446 268 G HA2 -0.291 3.670 3.960 0.002 0.000 0.217 268 G HA3 -0.291 3.670 3.960 0.002 0.000 0.217 268 G C 1.223 176.099 174.900 -0.040 0.000 1.168 268 G CA 1.214 46.234 45.100 -0.132 0.000 0.771 268 G HN 0.483 nan 8.290 nan 0.000 0.551 269 D N 0.385 120.803 120.400 0.030 0.000 2.144 269 D HA -0.043 4.598 4.640 0.002 0.000 0.200 269 D C 2.748 179.113 176.300 0.109 0.000 0.978 269 D CA 0.572 54.656 54.000 0.141 0.000 0.833 269 D CB -0.134 40.805 40.800 0.232 0.000 0.961 269 D HN 0.293 nan 8.370 nan 0.000 0.470 270 R N 0.240 120.772 120.500 0.055 0.000 2.075 270 R HA -0.007 4.334 4.340 0.002 0.000 0.232 270 R C 2.587 178.904 176.300 0.028 0.000 1.126 270 R CA 0.588 56.711 56.100 0.039 0.000 0.963 270 R CB -0.298 30.008 30.300 0.009 0.000 0.858 270 R HN 0.197 nan 8.270 nan 0.000 0.435 271 L N 0.563 121.788 121.223 0.003 0.000 2.141 271 L HA -0.144 4.197 4.340 0.002 0.000 0.209 271 L C 2.319 179.202 176.870 0.021 0.000 1.094 271 L CA 0.964 55.801 54.840 -0.006 0.000 0.763 271 L CB -0.329 41.709 42.059 -0.036 0.000 0.908 271 L HN 0.195 nan 8.230 nan 0.000 0.437 272 L N -0.803 120.449 121.223 0.049 0.000 2.056 272 L HA -0.213 4.128 4.340 0.002 0.000 0.207 272 L C 2.538 179.510 176.870 0.169 0.000 1.078 272 L CA 1.268 56.180 54.840 0.120 0.000 0.749 272 L CB -0.326 41.839 42.059 0.176 0.000 0.901 272 L HN 0.324 nan 8.230 nan 0.000 0.433 273 Q N -0.677 119.206 119.800 0.139 0.000 2.369 273 Q HA -0.162 4.179 4.340 0.002 0.000 0.206 273 Q C 2.003 178.041 176.000 0.064 0.000 0.963 273 Q CA 0.839 56.706 55.803 0.107 0.000 0.894 273 Q CB 0.143 28.936 28.738 0.092 0.000 0.965 273 Q HN 0.362 nan 8.270 nan 0.000 0.475 274 L N -0.209 121.044 121.223 0.050 0.000 2.354 274 L HA 0.287 4.628 4.340 0.002 0.000 0.212 274 L C 0.580 177.464 176.870 0.023 0.000 1.091 274 L CA 0.297 55.154 54.840 0.027 0.000 0.828 274 L CB -0.233 41.834 42.059 0.013 0.000 0.973 274 L HN -0.054 nan 8.230 nan 0.000 0.461 275 A N 0.489 123.328 122.820 0.031 0.000 2.583 275 A HA 0.048 4.369 4.320 0.002 0.000 0.231 275 A C 0.768 178.364 177.584 0.020 0.000 1.065 275 A CA 0.714 52.763 52.037 0.020 0.000 0.760 275 A CB -0.137 18.881 19.000 0.031 0.000 1.001 275 A HN 0.614 nan 8.150 nan 0.000 0.509 276 D N -0.337 120.064 120.400 0.003 0.000 2.474 276 D HA 0.240 4.881 4.640 0.002 0.000 0.213 276 D C -0.246 176.053 176.300 -0.002 0.000 1.120 276 D CA 0.052 54.054 54.000 0.002 0.000 0.836 276 D CB 0.251 41.049 40.800 -0.004 0.000 1.019 276 D HN 0.325 nan 8.370 nan 0.000 0.507 277 L N 1.030 122.247 121.223 -0.010 0.000 2.596 277 L HA 0.399 4.740 4.340 0.002 0.000 0.265 277 L C -2.010 174.841 176.870 -0.032 0.000 0.962 277 L CA -0.705 54.123 54.840 -0.021 0.000 0.891 277 L CB 2.101 44.130 42.059 -0.051 0.000 1.248 277 L HN -0.195 nan 8.230 nan 0.000 0.410 278 V N 6.533 126.460 119.914 0.022 0.000 2.357 278 V HA 0.519 4.640 4.120 0.002 0.000 0.284 278 V C 0.042 176.166 176.094 0.050 0.000 1.018 278 V CA -0.312 62.010 62.300 0.037 0.000 0.841 278 V CB 1.584 33.514 31.823 0.179 0.000 0.991 278 V HN 0.599 nan 8.190 nan 0.000 0.437 279 I N 4.365 124.939 120.570 0.006 0.000 2.328 279 I HA 0.352 4.523 4.170 0.002 0.000 0.287 279 I C -0.266 175.958 176.117 0.177 0.000 1.012 279 I CA -0.159 61.210 61.300 0.115 0.000 1.195 279 I CB 1.225 39.320 38.000 0.158 0.000 1.350 279 I HN 0.517 nan 8.210 nan 0.000 0.464 280 C N 7.406 126.802 119.300 0.160 0.000 2.347 280 C HA 0.534 4.995 4.460 0.002 0.000 0.353 280 C C 0.397 175.435 174.990 0.081 0.000 1.273 280 C CA -0.556 58.535 59.018 0.121 0.000 1.861 280 C CB -0.353 27.554 27.740 0.279 0.000 2.420 280 C HN 0.535 nan 8.230 nan 0.000 0.542 281 I N 2.920 123.522 120.570 0.054 0.000 2.389 281 I HA 0.447 4.618 4.170 0.002 0.000 0.288 281 I C 1.079 177.209 176.117 0.022 0.000 0.999 281 I CA 0.100 61.398 61.300 -0.004 0.000 1.129 281 I CB 1.224 39.190 38.000 -0.056 0.000 1.288 281 I HN 0.947 nan 8.210 nan 0.000 0.444 282 G N 4.565 113.364 108.800 -0.002 0.000 2.258 282 G HA2 -0.331 3.630 3.960 0.002 0.000 0.274 282 G HA3 -0.331 3.630 3.960 0.002 0.000 0.274 282 G C -0.353 174.620 174.900 0.121 0.000 1.021 282 G CA 0.250 45.376 45.100 0.043 0.000 0.798 282 G HN 0.671 nan 8.290 nan 0.000 0.507 283 Y N 0.710 121.011 120.300 0.002 0.000 2.360 283 Y HA 0.675 5.226 4.550 0.002 0.000 0.337 283 Y C 0.040 176.009 175.900 0.115 0.000 1.039 283 Y CA -0.745 57.382 58.100 0.046 0.000 1.109 283 Y CB 2.035 40.518 38.460 0.038 0.000 1.201 283 Y HN 0.322 nan 8.280 nan 0.000 0.458 284 S N 6.497 121.755 115.700 -0.738 0.000 2.521 284 S HA 0.435 4.906 4.470 0.002 0.000 0.295 284 S C -2.199 171.693 174.600 -1.180 0.000 1.098 284 S CA -1.899 55.891 58.200 -0.684 0.000 0.999 284 S CB 1.714 64.705 63.200 -0.349 0.000 1.034 284 S HN 0.605 nan 8.310 nan 0.000 0.483 285 P HA -0.158 nan 4.420 nan 0.000 0.217 285 P C 1.575 178.731 177.300 -0.241 0.000 1.148 285 P CA 1.487 64.287 63.100 -0.500 0.000 0.834 285 P CB -0.194 31.341 31.700 -0.274 0.000 0.783 286 V N -2.193 117.566 119.914 -0.258 0.000 2.720 286 V HA -0.210 3.911 4.120 0.002 0.000 0.256 286 V C 1.740 177.809 176.094 -0.042 0.000 1.082 286 V CA 1.674 63.893 62.300 -0.134 0.000 1.101 286 V CB -1.459 30.264 31.823 -0.167 0.000 0.693 286 V HN 0.148 nan 8.190 nan 0.000 0.479 287 E N -0.801 119.366 120.200 -0.055 0.000 2.274 287 E HA 0.019 4.370 4.350 0.002 0.000 0.194 287 E C -0.037 176.759 176.600 0.326 0.000 0.996 287 E CA 0.867 57.334 56.400 0.111 0.000 0.840 287 E CB 0.135 29.907 29.700 0.120 0.000 0.772 287 E HN 0.721 nan 8.360 nan 0.000 0.491 288 Y N 0.770 121.194 120.300 0.207 0.000 2.237 288 Y HA 0.087 4.638 4.550 0.002 0.000 0.316 288 Y C -1.366 174.739 175.900 0.343 0.000 1.236 288 Y CA -1.684 56.579 58.100 0.272 0.000 1.257 288 Y CB 0.342 38.976 38.460 0.289 0.000 1.272 288 Y HN -0.155 nan 8.280 nan 0.000 0.394 289 E N 7.919 128.170 120.200 0.085 0.000 2.868 289 E HA -0.004 4.347 4.350 0.002 0.000 0.246 289 E C -1.797 174.680 176.600 -0.205 0.000 0.962 289 E CA -0.555 55.806 56.400 -0.066 0.000 0.955 289 E CB 0.915 30.564 29.700 -0.085 0.000 0.903 289 E HN 0.442 nan 8.360 nan 0.000 0.524 290 P HA -0.189 nan 4.420 nan 0.000 0.221 290 P C 0.594 177.498 177.300 -0.659 0.000 1.145 290 P CA 1.499 64.292 63.100 -0.512 0.000 0.795 290 P CB 0.186 31.753 31.700 -0.221 0.000 0.775 291 A N -1.381 121.224 122.820 -0.357 0.000 2.121 291 A HA -0.121 4.199 4.320 0.002 0.000 0.218 291 A C 1.919 179.335 177.584 -0.280 0.000 1.154 291 A CA 1.281 53.150 52.037 -0.280 0.000 0.679 291 A CB -1.043 17.854 19.000 -0.173 0.000 0.795 291 A HN 0.072 nan 8.150 nan 0.000 0.458 292 M N -1.404 117.992 119.600 -0.341 0.000 2.476 292 M HA 0.058 4.539 4.480 0.002 0.000 0.262 292 M C 1.712 177.959 176.300 -0.088 0.000 1.111 292 M CA 0.637 55.782 55.300 -0.257 0.000 1.127 292 M CB -0.676 31.693 32.600 -0.385 0.000 1.376 292 M HN 0.975 nan 8.290 nan 0.000 0.465 293 W N -1.363 119.800 121.300 -0.228 0.000 2.701 293 W HA 0.307 4.968 4.660 0.002 0.000 0.254 293 W C -0.123 176.371 176.519 -0.042 0.000 1.017 293 W CA -0.333 56.960 57.345 -0.087 0.000 1.326 293 W CB -0.396 29.038 29.460 -0.044 0.000 0.881 293 W HN 0.090 nan 8.180 nan 0.000 0.647 294 N N 2.604 120.791 118.700 -0.856 0.000 2.527 294 N HA 0.127 4.868 4.740 0.002 0.000 0.236 294 N C 0.965 176.264 175.510 -0.352 0.000 0.999 294 N CA 0.556 53.176 53.050 -0.717 0.000 0.935 294 N CB 1.467 39.162 38.487 -1.321 0.000 1.132 294 N HN 0.065 nan 8.380 nan 0.000 0.511 295 S N 2.032 117.634 115.700 -0.163 0.000 2.436 295 S HA 0.132 4.603 4.470 0.002 0.000 0.228 295 S C 1.443 175.983 174.600 -0.100 0.000 1.014 295 S CA 0.640 58.775 58.200 -0.107 0.000 0.950 295 S CB -0.211 62.961 63.200 -0.048 0.000 0.784 295 S HN 0.807 nan 8.310 nan 0.000 0.504 296 G N 1.393 110.134 108.800 -0.098 0.000 2.179 296 G HA2 -0.262 3.698 3.960 0.002 0.000 0.220 296 G HA3 -0.262 3.698 3.960 0.002 0.000 0.220 296 G C 0.594 175.471 174.900 -0.039 0.000 0.990 296 G CA 0.248 45.303 45.100 -0.076 0.000 0.646 296 G HN 0.558 nan 8.290 nan 0.000 0.517 297 N N 0.541 119.227 118.700 -0.023 0.000 2.216 297 N HA 0.256 4.997 4.740 0.002 0.000 0.183 297 N C 1.555 177.065 175.510 0.001 0.000 1.017 297 N CA 0.666 53.711 53.050 -0.009 0.000 0.861 297 N CB 0.038 38.524 38.487 -0.001 0.000 0.986 297 N HN 0.692 nan 8.380 nan 0.000 0.428 298 A N 0.759 123.589 122.820 0.016 0.000 2.286 298 A HA 0.329 4.650 4.320 0.002 0.000 0.286 298 A C 0.054 177.650 177.584 0.020 0.000 1.097 298 A CA -0.274 51.778 52.037 0.025 0.000 0.821 298 A CB 0.472 19.504 19.000 0.053 0.000 1.076 298 A HN 0.010 nan 8.150 nan 0.000 0.490 299 T N 1.652 116.216 114.554 0.016 0.000 2.814 299 T HA 0.359 4.710 4.350 0.002 0.000 0.297 299 T C -0.264 174.454 174.700 0.029 0.000 0.956 299 T CA 0.245 62.352 62.100 0.011 0.000 1.123 299 T CB 0.060 68.931 68.868 0.005 0.000 0.902 299 T HN 0.460 nan 8.240 nan 0.000 0.528 300 L N 6.243 127.481 121.223 0.025 0.000 2.272 300 L HA 0.577 4.918 4.340 0.002 0.000 0.289 300 L C -0.830 176.069 176.870 0.048 0.000 1.032 300 L CA -0.314 54.556 54.840 0.050 0.000 0.810 300 L CB 0.980 43.042 42.059 0.005 0.000 1.205 300 L HN 0.395 nan 8.230 nan 0.000 0.422 301 V N 4.988 124.957 119.914 0.092 0.000 2.448 301 V HA 0.347 4.468 4.120 0.002 0.000 0.295 301 V C -0.773 175.431 176.094 0.184 0.000 1.025 301 V CA -0.670 61.697 62.300 0.111 0.000 0.859 301 V CB 1.292 33.171 31.823 0.093 0.000 0.988 301 V HN 0.837 nan 8.190 nan 0.000 0.431 302 H N 5.117 124.248 119.070 0.102 0.000 2.476 302 H HA 0.722 5.279 4.556 0.002 0.000 0.328 302 H C -0.947 174.471 175.328 0.149 0.000 1.073 302 H CA -0.533 55.622 56.048 0.177 0.000 1.229 302 H CB 1.173 31.034 29.762 0.165 0.000 1.432 302 H HN 0.599 nan 8.280 nan 0.000 0.477 303 I N 5.182 125.618 120.570 -0.224 0.000 2.468 303 I HA 0.278 4.449 4.170 0.002 0.000 0.285 303 I C -1.077 174.919 176.117 -0.202 0.000 1.039 303 I CA -0.467 60.776 61.300 -0.096 0.000 1.074 303 I CB 1.611 39.603 38.000 -0.013 0.000 1.228 303 I HN 0.669 nan 8.210 nan 0.000 0.436 304 D N 3.027 123.398 120.400 -0.049 0.000 2.653 304 D HA 0.183 4.824 4.640 0.002 0.000 0.258 304 D C 0.449 176.808 176.300 0.099 0.000 1.252 304 D CA -0.490 53.526 54.000 0.026 0.000 0.777 304 D CB 2.239 43.087 40.800 0.080 0.000 1.339 304 D HN 0.212 nan 8.370 nan 0.000 0.422 305 V N -0.624 119.342 119.914 0.086 0.000 3.241 305 V HA 0.244 4.365 4.120 0.002 0.000 0.269 305 V C 0.613 176.759 176.094 0.086 0.000 1.151 305 V CA 0.932 63.276 62.300 0.074 0.000 1.158 305 V CB -1.104 30.754 31.823 0.059 0.000 0.764 305 V HN 0.313 nan 8.190 nan 0.000 0.508 306 L N -1.150 120.148 121.223 0.125 0.000 2.376 306 L HA 0.610 4.950 4.340 0.002 0.000 0.258 306 L C -2.660 174.264 176.870 0.091 0.000 1.013 306 L CA -2.292 52.598 54.840 0.083 0.000 0.822 306 L CB 2.208 44.315 42.059 0.081 0.000 1.388 306 L HN -0.165 nan 8.230 nan 0.000 0.413 307 P HA 0.055 nan 4.420 nan 0.000 0.271 307 P C -0.867 176.290 177.300 -0.238 0.000 1.238 307 P CA -0.225 62.811 63.100 -0.106 0.000 0.794 307 P CB 0.449 32.056 31.700 -0.155 0.000 0.959 308 A N 0.813 123.362 122.820 -0.451 0.000 2.407 308 A HA 0.182 4.503 4.320 0.002 0.000 0.248 308 A C -0.682 176.772 177.584 -0.217 0.000 1.082 308 A CA -0.006 51.697 52.037 -0.556 0.000 0.785 308 A CB -0.574 17.991 19.000 -0.726 0.000 1.020 308 A HN 0.496 nan 8.150 nan 0.000 0.489 309 Y N 1.736 122.058 120.300 0.037 0.000 2.767 309 Y HA 0.159 4.709 4.550 0.001 0.000 0.354 309 Y C 0.801 176.767 175.900 0.110 0.000 1.292 309 Y CA -0.004 58.121 58.100 0.042 0.000 1.749 309 Y CB -0.343 38.118 38.460 0.003 0.000 1.841 309 Y HN 0.734 nan 8.280 nan 0.000 0.454 310 E N 2.150 122.457 120.200 0.179 0.000 2.492 310 E HA -0.004 4.347 4.350 0.002 0.000 0.266 310 E C 0.026 176.721 176.600 0.158 0.000 1.047 310 E CA 0.671 57.176 56.400 0.176 0.000 0.968 310 E CB 0.537 30.264 29.700 0.046 0.000 0.960 310 E HN 0.709 nan 8.360 nan 0.000 0.452 311 E N 0.511 120.803 120.200 0.153 0.000 2.439 311 E HA 0.153 4.503 4.350 0.002 0.000 0.279 311 E C 0.533 177.168 176.600 0.059 0.000 1.077 311 E CA -0.967 55.489 56.400 0.093 0.000 0.849 311 E CB 0.384 30.138 29.700 0.090 0.000 1.408 311 E HN 0.362 nan 8.360 nan 0.000 0.457 312 R N 1.320 121.831 120.500 0.020 0.000 2.140 312 R HA -0.210 4.131 4.340 0.002 0.000 0.250 312 R C 0.137 176.420 176.300 -0.028 0.000 1.150 312 R CA 2.363 58.456 56.100 -0.011 0.000 0.966 312 R CB -0.927 29.357 30.300 -0.025 0.000 0.869 312 R HN 0.613 nan 8.270 nan 0.000 0.445 313 N N -1.163 117.520 118.700 -0.028 0.000 2.328 313 N HA 0.083 4.824 4.740 0.002 0.000 0.247 313 N C -1.281 174.227 175.510 -0.004 0.000 1.165 313 N CA -0.216 52.782 53.050 -0.087 0.000 0.873 313 N CB 0.655 39.029 38.487 -0.188 0.000 1.125 313 N HN 0.157 nan 8.380 nan 0.000 0.513 314 Y N 1.335 121.592 120.300 -0.071 0.000 2.517 314 Y HA 0.155 4.706 4.550 0.001 0.000 0.328 314 Y C -0.991 174.928 175.900 0.031 0.000 1.130 314 Y CA -1.012 57.096 58.100 0.013 0.000 1.280 314 Y CB 0.442 38.968 38.460 0.109 0.000 1.101 314 Y HN -0.048 nan 8.280 nan 0.000 0.610 315 T N 2.141 116.563 114.554 -0.221 0.000 3.150 315 T HA 0.470 4.821 4.350 0.002 0.000 0.383 315 T C -2.925 171.637 174.700 -0.229 0.000 1.313 315 T CA -2.260 59.726 62.100 -0.190 0.000 1.235 315 T CB 0.914 69.727 68.868 -0.093 0.000 1.088 315 T HN 0.212 nan 8.240 nan 0.000 0.556 316 P HA 0.097 nan 4.420 nan 0.000 0.261 316 P C 0.508 177.755 177.300 -0.088 0.000 1.183 316 P CA 0.022 63.007 63.100 -0.191 0.000 0.761 316 P CB 0.553 32.165 31.700 -0.146 0.000 0.785 317 D N 1.346 121.715 120.400 -0.052 0.000 2.269 317 D HA -0.017 4.624 4.640 0.002 0.000 0.208 317 D C 0.346 176.640 176.300 -0.009 0.000 0.963 317 D CA 1.222 55.205 54.000 -0.028 0.000 0.864 317 D CB 0.374 41.164 40.800 -0.017 0.000 0.936 317 D HN 0.133 nan 8.370 nan 0.000 0.505 318 V N 0.711 120.630 119.914 0.008 0.000 2.686 318 V HA 0.256 4.377 4.120 0.002 0.000 0.306 318 V C -0.483 175.647 176.094 0.060 0.000 1.065 318 V CA -0.882 61.436 62.300 0.029 0.000 0.894 318 V CB 2.836 34.682 31.823 0.038 0.000 1.004 318 V HN -0.095 nan 8.190 nan 0.000 0.424 319 E N 5.085 125.322 120.200 0.061 0.000 2.216 319 E HA 0.618 4.969 4.350 0.002 0.000 0.260 319 E C -1.766 174.901 176.600 0.112 0.000 0.880 319 E CA -0.598 55.867 56.400 0.108 0.000 0.765 319 E CB 1.463 31.183 29.700 0.033 0.000 1.174 319 E HN 0.691 nan 8.360 nan 0.000 0.417 320 L N 4.175 125.492 121.223 0.157 0.000 2.313 320 L HA 0.611 4.952 4.340 0.002 0.000 0.283 320 L C -0.693 176.258 176.870 0.136 0.000 1.013 320 L CA -1.219 53.688 54.840 0.112 0.000 0.816 320 L CB 1.552 43.661 42.059 0.083 0.000 1.236 320 L HN 0.299 nan 8.230 nan 0.000 0.419 321 V N 1.899 121.872 119.914 0.098 0.000 2.540 321 V HA 0.988 5.109 4.120 0.002 0.000 0.302 321 V C 0.412 176.541 176.094 0.058 0.000 1.035 321 V CA -0.211 62.145 62.300 0.093 0.000 0.873 321 V CB 1.340 33.210 31.823 0.078 0.000 0.992 321 V HN 1.063 nan 8.190 nan 0.000 0.428 322 G N 3.294 112.125 108.800 0.052 0.000 2.345 322 G HA2 0.227 4.188 3.960 0.002 0.000 0.285 322 G HA3 0.227 4.188 3.960 0.002 0.000 0.285 322 G C -1.495 173.421 174.900 0.026 0.000 1.297 322 G CA -0.666 44.454 45.100 0.034 0.000 0.875 322 G HN 0.709 nan 8.290 nan 0.000 0.506 323 D N 0.298 120.708 120.400 0.017 0.000 2.368 323 D HA 0.261 4.902 4.640 0.002 0.000 0.268 323 D C 1.828 178.129 176.300 0.002 0.000 1.298 323 D CA 0.050 54.055 54.000 0.009 0.000 0.938 323 D CB 0.160 40.963 40.800 0.005 0.000 1.101 323 D HN 0.384 nan 8.370 nan 0.000 0.509 324 I N 3.624 124.193 120.570 -0.002 0.000 2.099 324 I HA -0.335 3.836 4.170 0.002 0.000 0.239 324 I C 2.394 178.493 176.117 -0.029 0.000 1.066 324 I CA 1.323 62.613 61.300 -0.017 0.000 1.324 324 I CB -0.433 37.553 38.000 -0.024 0.000 1.037 324 I HN 0.564 nan 8.210 nan 0.000 0.401 325 A N 1.005 123.807 122.820 -0.030 0.000 1.927 325 A HA -0.234 4.087 4.320 0.002 0.000 0.220 325 A C 2.394 179.961 177.584 -0.029 0.000 1.185 325 A CA 2.369 54.385 52.037 -0.035 0.000 0.639 325 A CB -1.580 17.403 19.000 -0.029 0.000 0.820 325 A HN 0.540 nan 8.150 nan 0.000 0.451 326 G N -1.537 107.253 108.800 -0.018 0.000 2.414 326 G HA2 -0.110 3.851 3.960 0.002 0.000 0.215 326 G HA3 -0.110 3.851 3.960 0.002 0.000 0.215 326 G C 1.597 176.490 174.900 -0.011 0.000 1.188 326 G CA 1.613 46.706 45.100 -0.012 0.000 0.783 326 G HN 0.435 nan 8.290 nan 0.000 0.537 327 T N 1.795 116.344 114.554 -0.009 0.000 2.652 327 T HA -0.088 4.263 4.350 0.002 0.000 0.267 327 T C 2.429 177.120 174.700 -0.014 0.000 1.039 327 T CA 1.150 63.248 62.100 -0.004 0.000 1.153 327 T CB -0.313 68.557 68.868 0.003 0.000 0.863 327 T HN 0.132 nan 8.240 nan 0.000 0.428 328 L N 1.129 122.330 121.223 -0.035 0.000 2.079 328 L HA -0.123 4.218 4.340 0.002 0.000 0.210 328 L C 2.543 179.384 176.870 -0.048 0.000 1.081 328 L CA 1.066 55.870 54.840 -0.061 0.000 0.752 328 L CB -0.710 41.286 42.059 -0.106 0.000 0.896 328 L HN 0.262 nan 8.230 nan 0.000 0.433 329 N N 0.509 119.187 118.700 -0.037 0.000 2.331 329 N HA -0.142 4.599 4.740 0.002 0.000 0.180 329 N C 2.069 177.571 175.510 -0.015 0.000 1.019 329 N CA 1.703 54.736 53.050 -0.028 0.000 0.881 329 N CB -0.006 38.467 38.487 -0.024 0.000 0.972 329 N HN 0.400 nan 8.380 nan 0.000 0.435 330 K N 1.012 121.407 120.400 -0.009 0.000 2.098 330 K HA 0.073 4.394 4.320 0.002 0.000 0.203 330 K C 2.024 178.627 176.600 0.005 0.000 1.051 330 K CA 0.538 56.825 56.287 -0.000 0.000 0.957 330 K CB -0.996 31.506 32.500 0.003 0.000 0.738 330 K HN 0.038 nan 8.250 nan 0.000 0.447 331 L N 0.880 122.107 121.223 0.008 0.000 2.042 331 L HA 0.016 4.357 4.340 0.002 0.000 0.210 331 L C 2.739 179.622 176.870 0.021 0.000 1.076 331 L CA 2.232 57.085 54.840 0.022 0.000 0.749 331 L CB -0.732 41.349 42.059 0.035 0.000 0.893 331 L HN 0.407 nan 8.230 nan 0.000 0.432 332 A N -1.267 121.557 122.820 0.007 0.000 1.978 332 A HA -0.278 4.043 4.320 0.002 0.000 0.220 332 A C 2.176 179.764 177.584 0.006 0.000 1.170 332 A CA 1.916 53.956 52.037 0.006 0.000 0.636 332 A CB -0.573 18.420 19.000 -0.012 0.000 0.810 332 A HN 0.688 nan 8.150 nan 0.000 0.448 333 Q N -0.590 119.213 119.800 0.005 0.000 2.369 333 Q HA 0.000 4.341 4.340 0.002 0.000 0.206 333 Q C 0.460 176.466 176.000 0.010 0.000 0.963 333 Q CA 0.644 56.450 55.803 0.006 0.000 0.894 333 Q CB 0.017 28.758 28.738 0.005 0.000 0.965 333 Q HN 0.605 nan 8.270 nan 0.000 0.475 334 N N 0.202 118.910 118.700 0.012 0.000 2.273 334 N HA 0.116 4.857 4.740 0.002 0.000 0.231 334 N C -0.679 174.836 175.510 0.009 0.000 1.134 334 N CA 0.187 53.245 53.050 0.013 0.000 0.856 334 N CB 0.889 39.386 38.487 0.016 0.000 1.068 334 N HN 0.099 nan 8.380 nan 0.000 0.510 335 I N 1.587 122.160 120.570 0.005 0.000 2.306 335 I HA 0.114 4.285 4.170 0.002 0.000 0.288 335 I C 1.105 177.211 176.117 -0.018 0.000 1.036 335 I CA -0.448 60.843 61.300 -0.015 0.000 1.221 335 I CB 1.117 39.115 38.000 -0.003 0.000 1.385 335 I HN -0.100 nan 8.210 nan 0.000 0.472 336 D N 5.154 125.536 120.400 -0.030 0.000 2.088 336 D HA -0.112 4.529 4.640 0.002 0.000 0.191 336 D C 0.613 176.987 176.300 0.123 0.000 0.992 336 D CA 1.951 55.994 54.000 0.070 0.000 0.831 336 D CB 0.222 41.133 40.800 0.186 0.000 0.973 336 D HN 0.618 nan 8.370 nan 0.000 0.447 337 H N -1.428 117.644 119.070 0.003 0.000 2.985 337 H HA 0.508 5.065 4.556 0.002 0.000 0.360 337 H C -0.201 175.124 175.328 -0.004 0.000 1.221 337 H CA -0.878 55.166 56.048 -0.007 0.000 1.121 337 H CB 1.042 30.801 29.762 -0.005 0.000 1.854 337 H HN -0.218 nan 8.280 nan 0.000 0.551 338 R N 0.282 120.805 120.500 0.038 0.000 2.811 338 R HA 0.109 4.450 4.340 0.002 0.000 0.265 338 R C 0.136 176.472 176.300 0.059 0.000 1.026 338 R CA -0.614 55.485 56.100 -0.002 0.000 1.142 338 R CB 0.427 30.679 30.300 -0.081 0.000 1.027 338 R HN 0.422 nan 8.270 nan 0.000 0.465 339 L N 1.654 122.926 121.223 0.082 0.000 2.397 339 L HA 0.183 4.524 4.340 0.002 0.000 0.271 339 L C -0.798 176.129 176.870 0.096 0.000 1.148 339 L CA 0.053 54.937 54.840 0.073 0.000 0.825 339 L CB 1.409 43.505 42.059 0.061 0.000 1.117 339 L HN 0.236 nan 8.230 nan 0.000 0.456 340 V N 6.614 126.577 119.914 0.081 0.000 2.328 340 V HA 0.274 4.395 4.120 0.002 0.000 0.278 340 V C 0.426 176.542 176.094 0.036 0.000 1.021 340 V CA -0.707 61.630 62.300 0.063 0.000 0.838 340 V CB 0.891 32.751 31.823 0.062 0.000 0.999 340 V HN 0.662 nan 8.190 nan 0.000 0.447 341 L N 4.339 125.575 121.223 0.021 0.000 2.543 341 L HA 0.089 4.430 4.340 0.002 0.000 0.285 341 L C 1.171 178.039 176.870 -0.003 0.000 1.236 341 L CA 0.468 55.308 54.840 -0.000 0.000 0.871 341 L CB 0.600 42.647 42.059 -0.020 0.000 1.121 341 L HN 0.869 nan 8.230 nan 0.000 0.501 342 S N 2.339 118.035 115.700 -0.008 0.000 2.614 342 S HA 0.261 4.732 4.470 0.002 0.000 0.265 342 S C -1.829 172.762 174.600 -0.014 0.000 1.303 342 S CA -1.180 57.016 58.200 -0.007 0.000 1.000 342 S CB 1.255 64.450 63.200 -0.008 0.000 0.935 342 S HN 0.404 nan 8.310 nan 0.000 0.551 343 P HA -0.099 nan 4.420 nan 0.000 0.215 343 P C 1.360 178.647 177.300 -0.022 0.000 1.153 343 P CA 1.271 64.362 63.100 -0.016 0.000 0.853 343 P CB -0.011 31.682 31.700 -0.010 0.000 0.788 344 Q N -0.710 119.079 119.800 -0.018 0.000 2.124 344 Q HA -0.091 4.250 4.340 0.002 0.000 0.202 344 Q C 2.217 178.200 176.000 -0.030 0.000 0.977 344 Q CA 1.924 57.715 55.803 -0.020 0.000 0.850 344 Q CB -1.291 27.439 28.738 -0.013 0.000 0.901 344 Q HN 0.182 nan 8.270 nan 0.000 0.429 345 A N 0.577 123.379 122.820 -0.030 0.000 1.873 345 A HA -0.031 4.290 4.320 0.002 0.000 0.215 345 A C 2.279 179.830 177.584 -0.056 0.000 1.186 345 A CA 1.561 53.574 52.037 -0.040 0.000 0.616 345 A CB -1.066 17.914 19.000 -0.034 0.000 0.823 345 A HN 0.371 nan 8.150 nan 0.000 0.442 346 A N -0.224 122.565 122.820 -0.052 0.000 1.940 346 A HA -0.224 4.097 4.320 0.002 0.000 0.219 346 A C 2.021 179.555 177.584 -0.084 0.000 1.176 346 A CA 1.979 53.976 52.037 -0.067 0.000 0.631 346 A CB -0.561 18.408 19.000 -0.051 0.000 0.814 346 A HN 0.705 nan 8.150 nan 0.000 0.446 347 E N -0.329 119.829 120.200 -0.069 0.000 2.106 347 E HA -0.132 4.219 4.350 0.002 0.000 0.192 347 E C 1.810 178.353 176.600 -0.095 0.000 0.984 347 E CA 1.086 57.440 56.400 -0.077 0.000 0.806 347 E CB -0.201 29.470 29.700 -0.048 0.000 0.750 347 E HN 0.678 nan 8.360 nan 0.000 0.458 348 I N 0.642 121.164 120.570 -0.081 0.000 2.286 348 I HA -0.244 3.927 4.170 0.002 0.000 0.245 348 I C 2.277 178.323 176.117 -0.118 0.000 1.104 348 I CA 0.723 61.972 61.300 -0.084 0.000 1.397 348 I CB -0.094 37.868 38.000 -0.063 0.000 1.072 348 I HN 0.204 nan 8.210 nan 0.000 0.417 349 L N 0.190 121.339 121.223 -0.123 0.000 2.093 349 L HA -0.185 4.156 4.340 0.002 0.000 0.208 349 L C 2.749 179.509 176.870 -0.184 0.000 1.085 349 L CA 1.142 55.894 54.840 -0.146 0.000 0.755 349 L CB -0.545 41.432 42.059 -0.136 0.000 0.904 349 L HN 0.223 nan 8.230 nan 0.000 0.435 350 R N 0.424 120.799 120.500 -0.207 0.000 2.081 350 R HA -0.226 4.115 4.340 0.002 0.000 0.235 350 R C 1.899 177.922 176.300 -0.463 0.000 1.131 350 R CA 2.101 58.006 56.100 -0.325 0.000 0.960 350 R CB -0.185 29.927 30.300 -0.313 0.000 0.856 350 R HN 0.270 nan 8.270 nan 0.000 0.436 351 D N -0.169 120.045 120.400 -0.309 0.000 2.178 351 D HA -0.183 4.458 4.640 0.002 0.000 0.201 351 D C 2.053 178.258 176.300 -0.157 0.000 0.980 351 D CA 1.062 54.934 54.000 -0.213 0.000 0.842 351 D CB 0.036 40.777 40.800 -0.099 0.000 0.948 351 D HN 0.181 nan 8.370 nan 0.000 0.472 352 R N -0.207 120.189 120.500 -0.174 0.000 2.092 352 R HA -0.179 4.162 4.340 0.002 0.000 0.231 352 R C 2.099 178.290 176.300 -0.182 0.000 1.119 352 R CA 1.347 57.343 56.100 -0.174 0.000 0.970 352 R CB -0.147 30.041 30.300 -0.187 0.000 0.864 352 R HN 0.097 nan 8.270 nan 0.000 0.440 353 Q N 0.200 119.890 119.800 -0.184 0.000 2.079 353 Q HA -0.162 4.179 4.340 0.002 0.000 0.200 353 Q C 1.539 177.520 176.000 -0.031 0.000 0.974 353 Q CA 2.066 57.786 55.803 -0.137 0.000 0.840 353 Q CB -0.291 28.367 28.738 -0.132 0.000 0.898 353 Q HN 0.646 nan 8.270 nan 0.000 0.430 354 H N -0.731 118.284 119.070 -0.091 0.000 2.321 354 H HA -0.127 4.430 4.556 0.002 0.000 0.300 354 H C 2.045 177.325 175.328 -0.080 0.000 1.087 354 H CA 1.079 57.085 56.048 -0.070 0.000 1.319 354 H CB 0.164 29.893 29.762 -0.055 0.000 1.379 354 H HN 0.413 nan 8.280 nan 0.000 0.501 355 Q N 1.380 121.196 119.800 0.027 0.000 2.061 355 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 355 Q C 2.251 178.195 176.000 -0.095 0.000 0.984 355 Q CA 1.511 57.284 55.803 -0.051 0.000 0.846 355 Q CB 0.067 28.742 28.738 -0.106 0.000 0.902 355 Q HN 0.421 nan 8.270 nan 0.000 0.421 356 R N 0.035 120.423 120.500 -0.186 0.000 2.091 356 R HA -0.149 4.192 4.340 0.002 0.000 0.238 356 R C 2.271 178.543 176.300 -0.048 0.000 1.136 356 R CA 1.798 57.720 56.100 -0.297 0.000 0.959 356 R CB -0.154 29.811 30.300 -0.558 0.000 0.856 356 R HN 0.443 nan 8.270 nan 0.000 0.437 357 E N 0.590 120.782 120.200 -0.013 0.000 2.072 357 E HA -0.157 4.194 4.350 0.002 0.000 0.191 357 E C 2.118 178.753 176.600 0.059 0.000 0.985 357 E CA 0.937 57.361 56.400 0.041 0.000 0.801 357 E CB -0.075 29.643 29.700 0.030 0.000 0.750 357 E HN 0.309 nan 8.360 nan 0.000 0.452 358 L N 0.752 121.998 121.223 0.038 0.000 2.056 358 L HA -0.176 4.165 4.340 0.002 0.000 0.207 358 L C 2.517 179.442 176.870 0.091 0.000 1.078 358 L CA 0.789 55.655 54.840 0.044 0.000 0.749 358 L CB -0.357 41.712 42.059 0.018 0.000 0.901 358 L HN 0.140 nan 8.230 nan 0.000 0.433 359 L N -0.140 121.145 121.223 0.103 0.000 2.079 359 L HA -0.253 4.088 4.340 0.002 0.000 0.210 359 L C 1.968 179.079 176.870 0.400 0.000 1.081 359 L CA 1.249 56.204 54.840 0.193 0.000 0.752 359 L CB -0.511 41.582 42.059 0.056 0.000 0.896 359 L HN 0.307 nan 8.230 nan 0.000 0.433 360 D N -0.063 120.540 120.400 0.338 0.000 2.392 360 D HA -0.096 4.545 4.640 0.002 0.000 0.228 360 D C 0.679 177.074 176.300 0.159 0.000 1.003 360 D CA 0.064 54.238 54.000 0.289 0.000 0.917 360 D CB 0.202 41.131 40.800 0.215 0.000 0.890 360 D HN 0.079 nan 8.370 nan 0.000 0.532 365 Q N 0.570 120.332 119.800 -0.064 0.000 2.377 365 Q HA 0.687 5.028 4.340 0.002 0.000 0.249 365 Q C -0.714 175.237 176.000 -0.081 0.000 1.005 365 Q CA -0.184 55.580 55.803 -0.065 0.000 0.912 365 Q CB -0.204 28.506 28.738 -0.047 0.000 1.223 365 Q HN 0.698 nan 8.270 nan 0.000 0.459 366 L N 2.772 123.932 121.223 -0.105 0.000 2.353 366 L HA 0.325 4.666 4.340 0.002 0.000 0.269 366 L C 0.171 177.002 176.870 -0.066 0.000 1.085 366 L CA -0.600 54.171 54.840 -0.115 0.000 0.938 366 L CB 0.624 42.563 42.059 -0.200 0.000 1.312 366 L HN 0.664 nan 8.230 nan 0.000 0.429 367 N N 1.374 120.050 118.700 -0.040 0.000 2.214 367 N HA 0.005 4.746 4.740 0.002 0.000 0.214 367 N C 0.380 175.899 175.510 0.015 0.000 1.132 367 N CA -0.123 52.915 53.050 -0.020 0.000 0.856 367 N CB 0.526 38.998 38.487 -0.025 0.000 1.020 367 N HN 0.620 nan 8.380 nan 0.000 0.509 368 Q N 0.431 120.245 119.800 0.023 0.000 2.492 368 Q HA 0.156 4.497 4.340 0.002 0.000 0.238 368 Q C -0.921 175.147 176.000 0.113 0.000 1.045 368 Q CA 0.153 55.989 55.803 0.055 0.000 0.934 368 Q CB 0.903 29.662 28.738 0.035 0.000 1.276 368 Q HN 0.105 nan 8.270 nan 0.000 0.521 369 F N -0.182 119.734 119.950 -0.057 0.000 2.574 369 F HA 0.571 5.099 4.527 0.002 0.000 0.313 369 F C -0.786 174.976 175.800 -0.064 0.000 1.130 369 F CA -0.575 57.381 58.000 -0.074 0.000 0.936 369 F CB 1.694 40.655 39.000 -0.066 0.000 1.219 369 F HN 0.885 nan 8.300 nan 0.000 0.445 370 A N 4.694 127.072 122.820 -0.736 0.000 2.536 370 A HA 0.369 4.690 4.320 0.002 0.000 0.234 370 A C -0.504 176.823 177.584 -0.428 0.000 1.076 370 A CA -0.207 51.239 52.037 -0.984 0.000 0.769 370 A CB -0.051 18.515 19.000 -0.725 0.000 1.020 370 A HN 0.730 nan 8.150 nan 0.000 0.508 371 L N 2.119 123.131 121.223 -0.351 0.000 2.483 371 L HA 0.073 4.413 4.340 0.002 0.000 0.276 371 L C 1.283 177.976 176.870 -0.296 0.000 1.213 371 L CA 0.642 55.343 54.840 -0.232 0.000 0.843 371 L CB -0.082 41.817 42.059 -0.267 0.000 1.107 371 L HN 0.752 nan 8.230 nan 0.000 0.487 372 H N 4.332 123.227 119.070 -0.290 0.000 2.610 372 H HA 0.130 4.687 4.556 0.002 0.000 0.336 372 H C -1.828 173.213 175.328 -0.479 0.000 1.087 372 H CA -1.721 54.142 56.048 -0.309 0.000 1.405 372 H CB 1.621 31.259 29.762 -0.206 0.000 1.460 372 H HN 0.371 nan 8.280 nan 0.000 0.538 373 P HA -0.214 nan 4.420 nan 0.000 0.216 373 P C 1.654 178.627 177.300 -0.545 0.000 1.154 373 P CA 0.854 63.401 63.100 -0.922 0.000 0.865 373 P CB 0.239 30.811 31.700 -1.880 0.000 0.789 374 L N -0.794 120.291 121.223 -0.229 0.000 2.141 374 L HA -0.085 4.256 4.340 0.002 0.000 0.209 374 L C 2.412 179.182 176.870 -0.167 0.000 1.094 374 L CA 1.758 56.522 54.840 -0.127 0.000 0.763 374 L CB -0.963 41.091 42.059 -0.008 0.000 0.908 374 L HN -0.231 nan 8.230 nan 0.000 0.437 375 R N 0.048 120.459 120.500 -0.148 0.000 2.075 375 R HA -0.074 4.267 4.340 0.002 0.000 0.232 375 R C 2.107 178.279 176.300 -0.212 0.000 1.126 375 R CA 1.874 57.873 56.100 -0.169 0.000 0.963 375 R CB -0.709 29.504 30.300 -0.144 0.000 0.858 375 R HN 0.473 nan 8.270 nan 0.000 0.435 376 I N -0.218 120.159 120.570 -0.321 0.000 2.226 376 I HA -0.241 3.930 4.170 0.002 0.000 0.245 376 I C 2.095 178.140 176.117 -0.120 0.000 1.100 376 I CA 1.071 62.154 61.300 -0.363 0.000 1.374 376 I CB -0.356 37.118 38.000 -0.876 0.000 1.057 376 I HN -0.025 nan 8.210 nan 0.000 0.413 377 V N 1.109 121.004 119.914 -0.032 0.000 2.287 377 V HA -0.311 3.810 4.120 0.002 0.000 0.248 377 V C 2.628 178.658 176.094 -0.107 0.000 1.053 377 V CA 1.996 64.354 62.300 0.098 0.000 1.027 377 V CB -0.774 31.064 31.823 0.025 0.000 0.646 377 V HN 0.383 nan 8.190 nan 0.000 0.447 378 R N 0.029 120.419 120.500 -0.184 0.000 2.083 378 R HA -0.154 4.187 4.340 0.002 0.000 0.237 378 R C 2.445 178.649 176.300 -0.160 0.000 1.137 378 R CA 1.586 57.566 56.100 -0.201 0.000 0.951 378 R CB -0.695 29.504 30.300 -0.168 0.000 0.851 378 R HN 0.545 nan 8.270 nan 0.000 0.434 379 A N 0.909 123.654 122.820 -0.125 0.000 1.902 379 A HA -0.176 4.145 4.320 0.002 0.000 0.217 379 A C 2.177 179.723 177.584 -0.063 0.000 1.181 379 A CA 1.453 53.431 52.037 -0.099 0.000 0.623 379 A CB -0.422 18.512 19.000 -0.110 0.000 0.818 379 A HN 0.211 nan 8.150 nan 0.000 0.443 380 M N -0.937 118.657 119.600 -0.009 0.000 2.132 380 M HA -0.205 4.276 4.480 0.002 0.000 0.263 380 M C 2.376 178.709 176.300 0.055 0.000 1.065 380 M CA 1.534 56.899 55.300 0.108 0.000 1.122 380 M CB -0.393 32.407 32.600 0.333 0.000 1.365 380 M HN 0.490 nan 8.290 nan 0.000 0.411 381 Q N 0.162 119.829 119.800 -0.221 0.000 2.170 381 Q HA -0.181 4.159 4.340 0.002 0.000 0.203 381 Q C 1.377 177.276 176.000 -0.169 0.000 0.976 381 Q CA 1.049 56.591 55.803 -0.435 0.000 0.858 381 Q CB -0.169 28.156 28.738 -0.688 0.000 0.907 381 Q HN 0.493 nan 8.270 nan 0.000 0.433 382 D N 0.790 121.119 120.400 -0.117 0.000 2.117 382 D HA -0.118 4.523 4.640 0.002 0.000 0.198 382 D C 1.955 178.235 176.300 -0.033 0.000 0.982 382 D CA 1.023 54.980 54.000 -0.071 0.000 0.828 382 D CB -0.104 40.653 40.800 -0.072 0.000 0.967 382 D HN 0.433 nan 8.370 nan 0.000 0.464 383 I N -1.500 119.060 120.570 -0.016 0.000 2.716 383 I HA -0.003 4.167 4.170 0.002 0.000 0.259 383 I C 0.523 176.660 176.117 0.034 0.000 1.172 383 I CA 0.189 61.490 61.300 0.002 0.000 1.478 383 I CB -0.139 37.857 38.000 -0.007 0.000 1.104 383 I HN -0.327 nan 8.210 nan 0.000 0.439 384 V N 4.879 124.835 119.914 0.069 0.000 2.397 384 V HA 0.076 4.197 4.120 0.002 0.000 0.262 384 V C -0.181 175.963 176.094 0.084 0.000 1.047 384 V CA -0.136 62.233 62.300 0.114 0.000 1.003 384 V CB -0.665 31.305 31.823 0.244 0.000 1.037 384 V HN 0.641 nan 8.190 nan 0.000 0.480 385 N N 2.887 121.627 118.700 0.067 0.000 2.518 385 N HA 0.290 5.031 4.740 0.002 0.000 0.284 385 N C 1.073 176.618 175.510 0.058 0.000 1.230 385 N CA -0.247 52.834 53.050 0.051 0.000 0.941 385 N CB 0.856 39.365 38.487 0.037 0.000 1.219 385 N HN 0.355 nan 8.380 nan 0.000 0.560 386 S N -2.220 113.507 115.700 0.045 0.000 2.584 386 S HA -0.151 4.320 4.470 0.002 0.000 0.240 386 S C 0.689 175.312 174.600 0.039 0.000 0.975 386 S CA 1.107 59.332 58.200 0.042 0.000 0.949 386 S CB -0.483 62.736 63.200 0.031 0.000 0.761 386 S HN 0.701 nan 8.310 nan 0.000 0.536 387 D N 0.429 120.855 120.400 0.043 0.000 2.338 387 D HA 0.156 4.797 4.640 0.002 0.000 0.208 387 D C 0.199 176.532 176.300 0.055 0.000 0.997 387 D CA 0.107 54.133 54.000 0.043 0.000 0.880 387 D CB 0.389 41.215 40.800 0.043 0.000 0.980 387 D HN 0.253 nan 8.370 nan 0.000 0.509 388 V N 0.725 120.677 119.914 0.063 0.000 2.732 388 V HA 0.293 4.414 4.120 0.002 0.000 0.297 388 V C 0.562 176.700 176.094 0.073 0.000 1.060 388 V CA -0.265 62.081 62.300 0.076 0.000 1.038 388 V CB 1.694 33.566 31.823 0.080 0.000 1.003 388 V HN 0.034 nan 8.190 nan 0.000 0.481 389 T N 5.172 119.774 114.554 0.080 0.000 2.795 389 T HA 0.544 4.895 4.350 0.002 0.000 0.282 389 T C -0.623 174.119 174.700 0.069 0.000 0.980 389 T CA -0.177 61.962 62.100 0.066 0.000 1.012 389 T CB 1.066 69.976 68.868 0.071 0.000 0.936 389 T HN 0.426 nan 8.240 nan 0.000 0.457 390 L N 4.574 125.823 121.223 0.043 0.000 2.313 390 L HA 0.685 5.026 4.340 0.002 0.000 0.283 390 L C 0.130 177.018 176.870 0.030 0.000 1.013 390 L CA -0.185 54.672 54.840 0.028 0.000 0.816 390 L CB 1.473 43.519 42.059 -0.021 0.000 1.236 390 L HN 0.737 nan 8.230 nan 0.000 0.419 391 T N 2.422 117.025 114.554 0.081 0.000 2.829 391 T HA 0.793 5.144 4.350 0.002 0.000 0.280 391 T C -0.658 174.138 174.700 0.159 0.000 0.999 391 T CA -0.694 61.515 62.100 0.182 0.000 0.983 391 T CB 1.453 70.514 68.868 0.321 0.000 0.968 391 T HN 0.377 nan 8.240 nan 0.000 0.446 392 V N 3.383 123.432 119.914 0.225 0.000 2.540 392 V HA 0.435 4.556 4.120 0.002 0.000 0.302 392 V C 0.301 176.574 176.094 0.300 0.000 1.035 392 V CA -0.906 61.505 62.300 0.186 0.000 0.873 392 V CB 1.619 33.452 31.823 0.017 0.000 0.992 392 V HN 1.025 nan 8.190 nan 0.000 0.428 393 D N 2.087 122.690 120.400 0.338 0.000 2.403 393 D HA 0.368 5.009 4.640 0.002 0.000 0.278 393 D C -0.524 175.990 176.300 0.357 0.000 1.230 393 D CA -0.466 53.690 54.000 0.259 0.000 1.062 393 D CB 1.357 42.298 40.800 0.235 0.000 1.119 393 D HN 0.416 nan 8.370 nan 0.000 0.557 394 M N -0.258 119.443 119.600 0.168 0.000 2.294 394 M HA 0.503 4.984 4.480 0.002 0.000 0.335 394 M C -0.470 175.707 176.300 -0.205 0.000 1.079 394 M CA -0.059 55.146 55.300 -0.158 0.000 0.982 394 M CB 1.122 33.588 32.600 -0.222 0.000 1.651 394 M HN 0.426 nan 8.290 nan 0.000 0.437 395 G N 1.723 110.130 108.800 -0.655 0.000 2.324 395 G HA2 0.209 4.170 3.960 0.002 0.000 0.293 395 G HA3 0.209 4.170 3.960 0.002 0.000 0.293 395 G C -0.277 174.181 174.900 -0.737 0.000 1.297 395 G CA -0.247 44.551 45.100 -0.504 0.000 0.853 395 G HN 0.546 nan 8.290 nan 0.000 0.535 396 S N -0.407 115.066 115.700 -0.378 0.000 2.383 396 S HA -0.129 4.342 4.470 0.002 0.000 0.229 396 S C 2.169 176.670 174.600 -0.164 0.000 1.030 396 S CA 2.634 60.651 58.200 -0.305 0.000 1.002 396 S CB -0.602 62.301 63.200 -0.496 0.000 0.829 396 S HN 0.830 nan 8.310 nan 0.000 0.467 397 F N 1.561 121.483 119.950 -0.045 0.000 2.202 397 F HA -0.111 4.417 4.527 0.002 0.000 0.301 397 F C 2.029 177.686 175.800 -0.238 0.000 1.082 397 F CA 1.597 59.278 58.000 -0.531 0.000 1.313 397 F CB -1.276 36.804 39.000 -1.533 0.000 1.024 397 F HN 0.291 nan 8.300 nan 0.000 0.495 398 H N 0.476 118.845 119.070 -1.169 0.000 2.353 398 H HA -0.126 4.431 4.556 0.002 0.000 0.300 398 H C 2.043 177.205 175.328 -0.276 0.000 1.090 398 H CA 2.209 57.876 56.048 -0.635 0.000 1.327 398 H CB 0.006 29.315 29.762 -0.755 0.000 1.383 398 H HN 0.210 nan 8.280 nan 0.000 0.508 399 I N -0.426 120.111 120.570 -0.055 0.000 2.315 399 I HA -0.256 3.915 4.170 0.002 0.000 0.248 399 I C 1.818 178.015 176.117 0.133 0.000 1.117 399 I CA 0.905 62.203 61.300 -0.003 0.000 1.404 399 I CB -1.509 36.391 38.000 -0.167 0.000 1.071 399 I HN 0.471 nan 8.210 nan 0.000 0.419 400 W N 1.343 122.732 121.300 0.147 0.000 2.358 400 W HA -0.131 4.530 4.660 0.002 0.000 0.303 400 W C 2.625 179.363 176.519 0.365 0.000 1.208 400 W CA 0.818 58.350 57.345 0.312 0.000 1.274 400 W CB -0.496 29.188 29.460 0.373 0.000 1.138 400 W HN -0.005 nan 8.180 nan 0.000 0.515 401 I N -0.126 120.691 120.570 0.411 0.000 2.252 401 I HA -0.288 3.883 4.170 0.002 0.000 0.245 401 I C 2.564 178.812 176.117 0.217 0.000 1.102 401 I CA 1.327 62.792 61.300 0.275 0.000 1.385 401 I CB -0.939 37.033 38.000 -0.046 0.000 1.064 401 I HN -0.045 nan 8.210 nan 0.000 0.414 402 A N 0.815 123.722 122.820 0.146 0.000 1.933 402 A HA -0.268 4.053 4.320 0.002 0.000 0.218 402 A C 2.317 180.133 177.584 0.386 0.000 1.175 402 A CA 1.942 54.135 52.037 0.260 0.000 0.628 402 A CB -0.561 18.561 19.000 0.204 0.000 0.814 402 A HN 0.303 nan 8.150 nan 0.000 0.444 403 R N -1.264 119.418 120.500 0.303 0.000 2.127 403 R HA -0.136 4.205 4.340 0.002 0.000 0.238 403 R C 0.413 176.542 176.300 -0.286 0.000 1.134 403 R CA 1.638 57.579 56.100 -0.264 0.000 0.975 403 R CB -0.580 29.496 30.300 -0.372 0.000 0.865 403 R HN 0.583 nan 8.270 nan 0.000 0.447 404 Y N -0.646 119.709 120.300 0.091 0.000 2.720 404 Y HA 0.220 4.771 4.550 0.002 0.000 0.277 404 Y C 0.868 176.707 175.900 -0.101 0.000 1.144 404 Y CA -0.523 57.469 58.100 -0.180 0.000 1.221 404 Y CB 0.352 38.781 38.460 -0.051 0.000 1.163 404 Y HN -0.004 nan 8.280 nan 0.000 0.537 405 L N 0.263 121.608 121.223 0.204 0.000 2.127 405 L HA -0.248 4.093 4.340 0.002 0.000 0.211 405 L C 2.341 179.361 176.870 0.250 0.000 1.089 405 L CA 1.945 56.952 54.840 0.277 0.000 0.757 405 L CB -0.780 41.431 42.059 0.254 0.000 0.899 405 L HN 0.547 nan 8.230 nan 0.000 0.434 406 Y N -1.855 118.605 120.300 0.267 0.000 2.403 406 Y HA -0.101 4.450 4.550 0.001 0.000 0.291 406 Y C 1.988 178.000 175.900 0.187 0.000 1.143 406 Y CA 1.173 59.400 58.100 0.211 0.000 1.257 406 Y CB -2.019 36.538 38.460 0.163 0.000 0.984 406 Y HN 0.240 nan 8.280 nan 0.000 0.550 407 T N -2.867 111.543 114.554 -0.240 0.000 3.086 407 T HA 0.216 4.567 4.350 0.002 0.000 0.250 407 T C -0.228 174.388 174.700 -0.140 0.000 1.074 407 T CA -0.382 61.638 62.100 -0.133 0.000 0.988 407 T CB -0.633 68.062 68.868 -0.287 0.000 0.988 407 T HN 0.103 nan 8.240 nan 0.000 0.530 408 F N 2.237 122.179 119.950 -0.013 0.000 2.408 408 F HA 0.523 5.051 4.527 0.002 0.000 0.344 408 F C 0.974 176.790 175.800 0.028 0.000 1.112 408 F CA -1.110 56.899 58.000 0.015 0.000 1.096 408 F CB 1.164 40.180 39.000 0.027 0.000 1.129 408 F HN -0.246 nan 8.300 nan 0.000 0.486 409 R N 2.866 123.470 120.500 0.174 0.000 2.651 409 R HA 0.573 4.914 4.340 0.002 0.000 0.282 409 R C -0.569 175.795 176.300 0.107 0.000 1.565 409 R CA -0.441 55.727 56.100 0.113 0.000 1.661 409 R CB 0.971 31.311 30.300 0.066 0.000 1.189 409 R HN 0.661 nan 8.270 nan 0.000 0.621 410 A N 0.628 123.521 122.820 0.122 0.000 2.256 410 A HA 0.357 4.677 4.320 0.002 0.000 0.318 410 A C 1.075 178.692 177.584 0.056 0.000 1.103 410 A CA -0.586 51.508 52.037 0.094 0.000 0.860 410 A CB 0.946 20.007 19.000 0.101 0.000 1.182 410 A HN 0.567 nan 8.150 nan 0.000 0.501 411 R N -0.488 120.039 120.500 0.046 0.000 2.073 411 R HA -0.041 4.300 4.340 0.002 0.000 0.234 411 R C 0.727 177.036 176.300 0.015 0.000 1.134 411 R CA 2.345 58.461 56.100 0.028 0.000 0.952 411 R CB -0.088 30.230 30.300 0.031 0.000 0.850 411 R HN 0.757 nan 8.270 nan 0.000 0.433 412 Q N -1.181 118.628 119.800 0.016 0.000 2.435 412 Q HA 0.451 4.792 4.340 0.002 0.000 0.282 412 Q C -1.937 174.057 176.000 -0.010 0.000 1.020 412 Q CA -0.962 54.837 55.803 -0.006 0.000 0.820 412 Q CB 2.492 31.219 28.738 -0.018 0.000 1.436 412 Q HN 0.032 nan 8.270 nan 0.000 0.395 413 V N 3.285 123.180 119.914 -0.032 0.000 2.483 413 V HA 0.471 4.592 4.120 0.002 0.000 0.297 413 V C -0.554 175.489 176.094 -0.085 0.000 1.027 413 V CA -0.490 61.781 62.300 -0.049 0.000 0.855 413 V CB 1.783 33.577 31.823 -0.048 0.000 0.995 413 V HN 0.804 nan 8.190 nan 0.000 0.424 414 M N 5.703 125.240 119.600 -0.106 0.000 2.055 414 M HA 0.508 4.989 4.480 0.002 0.000 0.346 414 M C 0.346 176.600 176.300 -0.077 0.000 1.074 414 M CA 0.073 55.227 55.300 -0.244 0.000 1.009 414 M CB 1.366 33.701 32.600 -0.441 0.000 1.423 414 M HN 0.768 nan 8.290 nan 0.000 0.410 415 I N 0.049 120.596 120.570 -0.038 0.000 4.738 415 I HA 0.135 4.306 4.170 0.002 0.000 0.315 415 I C 0.786 177.023 176.117 0.201 0.000 1.214 415 I CA 0.270 61.624 61.300 0.089 0.000 1.337 415 I CB 0.886 38.835 38.000 -0.085 0.000 1.433 415 I HN 0.545 nan 8.210 nan 0.000 0.472 416 S N 2.390 118.165 115.700 0.124 0.000 2.593 416 S HA -0.047 4.424 4.470 0.002 0.000 0.300 416 S C 0.077 174.797 174.600 0.201 0.000 1.267 416 S CA 0.604 58.895 58.200 0.151 0.000 1.065 416 S CB -0.226 63.045 63.200 0.119 0.000 0.807 416 S HN 0.520 nan 8.310 nan 0.000 0.499 417 N N 2.917 121.703 118.700 0.144 0.000 2.946 417 N HA 0.203 4.944 4.740 0.002 0.000 0.213 417 N C 0.631 176.146 175.510 0.008 0.000 1.440 417 N CA 0.235 53.362 53.050 0.129 0.000 0.745 417 N CB 0.161 38.727 38.487 0.132 0.000 1.471 417 N HN 0.618 nan 8.380 nan 0.000 0.569 418 G N 0.583 109.401 108.800 0.030 0.000 2.442 418 G HA2 -0.244 3.717 3.960 0.002 0.000 0.219 418 G HA3 -0.244 3.717 3.960 0.002 0.000 0.219 418 G C 0.989 175.873 174.900 -0.027 0.000 1.141 418 G CA 0.766 45.865 45.100 -0.002 0.000 0.763 418 G HN 0.440 nan 8.290 nan 0.000 0.554 419 Q N -0.364 119.430 119.800 -0.010 0.000 2.378 419 Q HA 0.021 4.362 4.340 0.002 0.000 0.205 419 Q C 0.935 176.896 176.000 -0.065 0.000 0.954 419 Q CA 0.445 56.232 55.803 -0.026 0.000 0.901 419 Q CB 0.051 28.791 28.738 0.003 0.000 0.981 419 Q HN 0.678 nan 8.270 nan 0.000 0.483 420 Q N 0.118 119.862 119.800 -0.094 0.000 2.494 420 Q HA -0.124 4.217 4.340 0.002 0.000 0.272 420 Q C -0.822 175.094 176.000 -0.141 0.000 1.145 420 Q CA 0.534 56.240 55.803 -0.161 0.000 0.943 420 Q CB -2.094 26.536 28.738 -0.180 0.000 1.338 420 Q HN 0.236 nan 8.270 nan 0.000 0.492 421 T N 1.702 116.190 114.554 -0.110 0.000 2.799 421 T HA 0.300 4.651 4.350 0.002 0.000 0.296 421 T C 0.672 175.256 174.700 -0.193 0.000 0.947 421 T CA -0.079 61.952 62.100 -0.114 0.000 1.141 421 T CB 0.260 69.095 68.868 -0.055 0.000 0.891 421 T HN 0.283 nan 8.240 nan 0.000 0.533 422 M N 1.620 121.129 119.600 -0.151 0.000 2.255 422 M HA 0.591 5.072 4.480 0.002 0.000 0.336 422 M C 1.103 177.272 176.300 -0.218 0.000 1.135 422 M CA 0.123 55.339 55.300 -0.141 0.000 1.145 422 M CB 0.490 33.059 32.600 -0.051 0.000 1.473 422 M HN 0.739 nan 8.290 nan 0.000 0.462 423 G N 1.089 109.747 108.800 -0.238 0.000 2.194 423 G HA2 -0.266 3.695 3.960 0.002 0.000 0.236 423 G HA3 -0.266 3.695 3.960 0.002 0.000 0.236 423 G C 0.435 174.961 174.900 -0.624 0.000 0.987 423 G CA 0.622 45.537 45.100 -0.308 0.000 0.635 423 G HN 1.293 nan 8.290 nan 0.000 0.520 424 V N -1.429 117.901 119.914 -0.974 0.000 2.626 424 V HA 0.344 4.465 4.120 0.002 0.000 0.252 424 V C 2.879 178.288 176.094 -1.141 0.000 1.067 424 V CA 2.034 63.350 62.300 -1.639 0.000 1.081 424 V CB -1.167 29.306 31.823 -2.249 0.000 0.686 424 V HN 1.408 nan 8.190 nan 0.000 0.468 425 A N 1.308 123.814 122.820 -0.523 0.000 1.841 425 A HA -0.190 4.131 4.320 0.002 0.000 0.216 425 A C 2.208 179.827 177.584 0.060 0.000 1.199 425 A CA 2.416 54.409 52.037 -0.073 0.000 0.621 425 A CB -0.940 18.108 19.000 0.080 0.000 0.835 425 A HN 0.602 nan 8.150 nan 0.000 0.445 426 L N 0.956 122.205 121.223 0.043 0.000 1.990 426 L HA -0.100 4.241 4.340 0.002 0.000 0.213 426 L C -0.536 176.358 176.870 0.040 0.000 1.072 426 L CA 2.913 57.782 54.840 0.048 0.000 0.755 426 L CB -1.294 40.678 42.059 -0.144 0.000 0.889 426 L HN 0.256 nan 8.230 nan 0.000 0.432 427 P HA -0.190 nan 4.420 nan 0.000 0.218 427 P C 1.392 178.794 177.300 0.169 0.000 1.149 427 P CA 1.572 64.703 63.100 0.052 0.000 0.817 427 P CB -0.426 31.323 31.700 0.082 0.000 0.785 428 W N 0.915 122.219 121.300 0.007 0.000 2.355 428 W HA -0.007 4.654 4.660 0.001 0.000 0.309 428 W C 2.790 179.342 176.519 0.055 0.000 1.206 428 W CA 1.095 58.452 57.345 0.020 0.000 1.284 428 W CB -1.809 27.649 29.460 -0.003 0.000 1.145 428 W HN 0.001 nan 8.180 nan 0.000 0.502 429 A N 0.190 123.201 122.820 0.318 0.000 1.883 429 A HA -0.200 4.121 4.320 0.002 0.000 0.217 429 A C 2.063 179.801 177.584 0.258 0.000 1.186 429 A CA 2.063 54.248 52.037 0.247 0.000 0.624 429 A CB -1.039 18.085 19.000 0.208 0.000 0.822 429 A HN 0.228 nan 8.150 nan 0.000 0.444 430 I N -0.402 120.303 120.570 0.225 0.000 2.226 430 I HA -0.220 3.951 4.170 0.002 0.000 0.245 430 I C 2.705 179.021 176.117 0.332 0.000 1.100 430 I CA 1.196 62.657 61.300 0.269 0.000 1.374 430 I CB -0.686 37.427 38.000 0.188 0.000 1.057 430 I HN 0.412 nan 8.210 nan 0.000 0.413 431 G N 0.417 109.345 108.800 0.215 0.000 2.418 431 G HA2 -0.216 3.745 3.960 0.002 0.000 0.217 431 G HA3 -0.216 3.745 3.960 0.002 0.000 0.217 431 G C 1.867 176.898 174.900 0.217 0.000 1.158 431 G CA 0.808 46.020 45.100 0.185 0.000 0.771 431 G HN 0.491 nan 8.290 nan 0.000 0.545 432 A N 0.031 122.972 122.820 0.201 0.000 1.902 432 A HA -0.064 4.257 4.320 0.002 0.000 0.217 432 A C 2.154 179.847 177.584 0.182 0.000 1.181 432 A CA 1.631 53.761 52.037 0.156 0.000 0.623 432 A CB -0.772 18.312 19.000 0.139 0.000 0.818 432 A HN 0.567 nan 8.150 nan 0.000 0.443 433 W N 0.664 122.024 121.300 0.100 0.000 2.358 433 W HA -0.144 4.517 4.660 0.001 0.000 0.303 433 W C 1.647 178.226 176.519 0.101 0.000 1.208 433 W CA 1.789 59.190 57.345 0.094 0.000 1.274 433 W CB -0.369 29.149 29.460 0.098 0.000 1.138 433 W HN 0.246 nan 8.180 nan 0.000 0.515 434 L N -0.040 121.198 121.223 0.024 0.000 2.191 434 L HA -0.239 4.102 4.340 0.002 0.000 0.212 434 L C 2.142 178.896 176.870 -0.194 0.000 1.103 434 L CA 1.033 55.768 54.840 -0.175 0.000 0.769 434 L CB -0.885 41.281 42.059 0.177 0.000 0.908 434 L HN -0.110 nan 8.230 nan 0.000 0.438 435 V N -1.169 118.695 119.914 -0.084 0.000 2.591 435 V HA -0.106 4.015 4.120 0.002 0.000 0.249 435 V C 0.646 176.660 176.094 -0.133 0.000 1.053 435 V CA 1.180 63.440 62.300 -0.068 0.000 1.068 435 V CB -0.331 31.490 31.823 -0.004 0.000 0.689 435 V HN 0.477 nan 8.190 nan 0.000 0.462 436 N N -0.265 118.320 118.700 -0.191 0.000 2.752 436 N HA 0.235 4.976 4.740 0.002 0.000 0.260 436 N C -2.386 172.918 175.510 -0.344 0.000 1.562 436 N CA -0.884 52.054 53.050 -0.188 0.000 0.788 436 N CB 1.702 40.143 38.487 -0.076 0.000 1.192 436 N HN 0.204 nan 8.380 nan 0.000 0.503 437 P HA -0.149 nan 4.420 nan 0.000 0.223 437 P C 1.274 178.479 177.300 -0.158 0.000 1.144 437 P CA 1.138 63.671 63.100 -0.944 0.000 0.783 437 P CB 0.346 31.521 31.700 -0.876 0.000 0.771 438 E N -0.156 120.001 120.200 -0.072 0.000 2.502 438 E HA -0.034 4.317 4.350 0.002 0.000 0.194 438 E C 0.448 177.110 176.600 0.105 0.000 1.062 438 E CA 0.494 56.925 56.400 0.052 0.000 0.867 438 E CB -0.146 29.564 29.700 0.016 0.000 0.888 438 E HN 0.269 nan 8.360 nan 0.000 0.510 439 R N 0.226 120.801 120.500 0.126 0.000 2.873 439 R HA 0.485 4.826 4.340 0.002 0.000 0.264 439 R C -0.443 176.020 176.300 0.272 0.000 1.026 439 R CA -0.987 55.206 56.100 0.155 0.000 1.002 439 R CB 1.277 31.638 30.300 0.102 0.000 1.174 439 R HN -0.129 nan 8.270 nan 0.000 0.488 440 K N 0.410 120.928 120.400 0.198 0.000 2.098 440 K HA 0.438 4.759 4.320 0.002 0.000 0.261 440 K C -1.214 175.495 176.600 0.182 0.000 0.987 440 K CA -0.418 55.981 56.287 0.187 0.000 0.916 440 K CB 1.474 34.040 32.500 0.110 0.000 1.039 440 K HN 0.292 nan 8.250 nan 0.000 0.455 441 V N 3.230 123.244 119.914 0.166 0.000 2.709 441 V HA 0.463 4.584 4.120 0.002 0.000 0.308 441 V C -1.134 175.021 176.094 0.102 0.000 1.062 441 V CA -0.996 61.394 62.300 0.151 0.000 0.901 441 V CB 2.037 33.984 31.823 0.206 0.000 1.003 441 V HN 0.572 nan 8.190 nan 0.000 0.425 442 V N 3.645 123.612 119.914 0.088 0.000 2.409 442 V HA 0.625 4.746 4.120 0.002 0.000 0.291 442 V C 0.058 176.182 176.094 0.050 0.000 1.020 442 V CA -0.354 61.981 62.300 0.058 0.000 0.848 442 V CB 1.984 33.839 31.823 0.053 0.000 0.990 442 V HN 1.015 nan 8.190 nan 0.000 0.430 443 S N 4.079 119.795 115.700 0.026 0.000 2.532 443 S HA 0.861 5.332 4.470 0.002 0.000 0.301 443 S C -0.821 173.624 174.600 -0.258 0.000 1.083 443 S CA -0.817 57.388 58.200 0.008 0.000 1.025 443 S CB 2.142 65.462 63.200 0.200 0.000 1.056 443 S HN 0.754 nan 8.310 nan 0.000 0.494 444 V N 1.891 121.654 119.914 -0.253 0.000 2.760 444 V HA 0.888 5.009 4.120 0.002 0.000 0.309 444 V C -0.655 175.133 176.094 -0.511 0.000 1.077 444 V CA 0.284 62.318 62.300 -0.443 0.000 0.910 444 V CB 1.730 33.403 31.823 -0.249 0.000 1.008 444 V HN 1.518 nan 8.190 nan 0.000 0.424 445 S N 4.239 119.499 115.700 -0.733 0.000 2.688 445 S HA 0.903 5.374 4.470 0.002 0.000 0.275 445 S C -0.117 173.938 174.600 -0.908 0.000 1.175 445 S CA -0.202 57.536 58.200 -0.770 0.000 0.818 445 S CB 1.339 64.536 63.200 -0.005 0.000 1.157 445 S HN 1.516 nan 8.310 nan 0.000 0.482 446 G N -0.237 108.275 108.800 -0.479 0.000 2.557 446 G HA2 0.474 4.435 3.960 0.002 0.000 0.302 446 G HA3 0.474 4.435 3.960 0.002 0.000 0.302 446 G C -0.017 174.928 174.900 0.076 0.000 1.311 446 G CA -0.218 44.849 45.100 -0.055 0.000 1.030 446 G HN 0.780 nan 8.290 nan 0.000 0.509 447 D N -0.893 119.594 120.400 0.145 0.000 2.178 447 D HA -0.022 4.619 4.640 0.002 0.000 0.202 447 D C 2.145 178.627 176.300 0.303 0.000 0.974 447 D CA 1.204 55.314 54.000 0.184 0.000 0.841 447 D CB -0.605 40.400 40.800 0.341 0.000 0.953 447 D HN 0.461 nan 8.370 nan 0.000 0.478 448 G N 0.628 109.669 108.800 0.401 0.000 2.434 448 G HA2 -0.130 3.831 3.960 0.002 0.000 0.214 448 G HA3 -0.130 3.831 3.960 0.002 0.000 0.214 448 G C 1.738 176.806 174.900 0.279 0.000 1.202 448 G CA 0.818 46.173 45.100 0.424 0.000 0.788 448 G HN 0.442 nan 8.290 nan 0.000 0.539 449 G N 0.296 109.247 108.800 0.251 0.000 2.422 449 G HA2 -0.189 3.772 3.960 0.002 0.000 0.218 449 G HA3 -0.189 3.772 3.960 0.002 0.000 0.218 449 G C 1.624 176.569 174.900 0.076 0.000 1.146 449 G CA 0.951 46.127 45.100 0.126 0.000 0.769 449 G HN 0.337 nan 8.290 nan 0.000 0.547 450 F N 1.269 121.205 119.950 -0.023 0.000 2.065 450 F HA -0.057 4.471 4.527 0.002 0.000 0.298 450 F C 2.334 178.081 175.800 -0.088 0.000 1.112 450 F CA 1.347 59.289 58.000 -0.096 0.000 1.212 450 F CB -0.288 38.638 39.000 -0.124 0.000 0.975 450 F HN 0.028 nan 8.300 nan 0.000 0.476 451 L N -0.040 121.116 121.223 -0.113 0.000 2.362 451 L HA -0.176 4.165 4.340 0.002 0.000 0.219 451 L C 2.199 178.961 176.870 -0.180 0.000 1.134 451 L CA 0.974 55.688 54.840 -0.211 0.000 0.807 451 L CB -0.638 41.376 42.059 -0.074 0.000 0.927 451 L HN 0.374 nan 8.230 nan 0.000 0.447 452 Q N -0.794 118.921 119.800 -0.141 0.000 2.311 452 Q HA -0.069 4.272 4.340 0.002 0.000 0.203 452 Q C 1.649 177.544 176.000 -0.176 0.000 0.954 452 Q CA 1.498 57.222 55.803 -0.131 0.000 0.885 452 Q CB 0.296 28.980 28.738 -0.090 0.000 0.963 452 Q HN 0.527 nan 8.270 nan 0.000 0.471 453 S N -1.572 113.992 115.700 -0.227 0.000 2.847 453 S HA 0.060 4.531 4.470 0.002 0.000 0.254 453 S C 1.419 175.842 174.600 -0.294 0.000 1.039 453 S CA 0.107 58.184 58.200 -0.205 0.000 1.113 453 S CB 0.385 63.489 63.200 -0.160 0.000 1.092 453 S HN 0.207 nan 8.310 nan 0.000 0.620 454 S N 2.935 118.343 115.700 -0.487 0.000 2.500 454 S HA -0.115 4.356 4.470 0.002 0.000 0.239 454 S C 2.131 176.559 174.600 -0.287 0.000 0.989 454 S CA 0.773 58.583 58.200 -0.650 0.000 0.951 454 S CB -0.836 61.660 63.200 -1.174 0.000 0.759 454 S HN 0.704 nan 8.310 nan 0.000 0.523 455 M N 0.544 120.099 119.600 -0.076 0.000 2.446 455 M HA 0.065 4.546 4.480 0.002 0.000 0.263 455 M C 0.757 177.096 176.300 0.064 0.000 1.066 455 M CA 1.416 56.782 55.300 0.109 0.000 1.087 455 M CB -1.133 31.542 32.600 0.124 0.000 1.406 455 M HN 0.100 nan 8.290 nan 0.000 0.459 456 E N 1.353 121.523 120.200 -0.050 0.000 2.511 456 E HA 0.164 4.515 4.350 0.002 0.000 0.196 456 E C 2.144 178.683 176.600 -0.103 0.000 1.066 456 E CA 0.230 56.615 56.400 -0.025 0.000 0.871 456 E CB -0.414 29.278 29.700 -0.014 0.000 0.863 456 E HN 0.616 nan 8.360 nan 0.000 0.520 457 L N 0.767 121.806 121.223 -0.307 0.000 2.201 457 L HA -0.127 4.214 4.340 0.002 0.000 0.212 457 L C 2.521 179.273 176.870 -0.197 0.000 1.105 457 L CA 0.958 55.524 54.840 -0.458 0.000 0.775 457 L CB -0.123 41.251 42.059 -1.140 0.000 0.913 457 L HN 0.094 nan 8.230 nan 0.000 0.440 458 E N 0.015 120.258 120.200 0.073 0.000 2.072 458 E HA -0.177 4.174 4.350 0.002 0.000 0.191 458 E C 1.905 178.584 176.600 0.131 0.000 0.985 458 E CA 1.775 58.344 56.400 0.282 0.000 0.801 458 E CB 0.078 29.977 29.700 0.333 0.000 0.750 458 E HN 0.375 nan 8.360 nan 0.000 0.452 459 T N 1.060 115.674 114.554 0.100 0.000 2.746 459 T HA -0.092 4.259 4.350 0.002 0.000 0.267 459 T C 1.912 176.658 174.700 0.077 0.000 1.039 459 T CA 1.626 63.788 62.100 0.104 0.000 1.142 459 T CB -0.334 68.608 68.868 0.123 0.000 0.866 459 T HN 0.326 nan 8.240 nan 0.000 0.444 460 A N 1.001 123.835 122.820 0.023 0.000 1.902 460 A HA -0.063 4.258 4.320 0.002 0.000 0.217 460 A C 2.595 180.150 177.584 -0.048 0.000 1.181 460 A CA 1.445 53.461 52.037 -0.035 0.000 0.623 460 A CB -1.047 17.907 19.000 -0.077 0.000 0.818 460 A HN 0.357 nan 8.150 nan 0.000 0.443 461 V N 0.020 119.931 119.914 -0.004 0.000 2.343 461 V HA -0.247 3.874 4.120 0.002 0.000 0.247 461 V C 2.658 178.770 176.094 0.031 0.000 1.051 461 V CA 2.308 64.617 62.300 0.016 0.000 1.036 461 V CB -0.821 31.042 31.823 0.067 0.000 0.654 461 V HN 0.718 nan 8.190 nan 0.000 0.451 462 R N 0.027 120.561 120.500 0.058 0.000 2.096 462 R HA -0.090 4.251 4.340 0.002 0.000 0.235 462 R C 2.034 178.384 176.300 0.083 0.000 1.127 462 R CA 1.611 57.754 56.100 0.073 0.000 0.968 462 R CB -0.230 30.123 30.300 0.089 0.000 0.861 462 R HN 0.464 nan 8.270 nan 0.000 0.440 463 L N 0.408 121.684 121.223 0.088 0.000 2.558 463 L HA 0.090 4.431 4.340 0.002 0.000 0.225 463 L C 0.490 177.403 176.870 0.071 0.000 1.128 463 L CA 0.077 55.004 54.840 0.146 0.000 0.868 463 L CB 0.118 42.319 42.059 0.238 0.000 1.006 463 L HN 0.166 nan 8.230 nan 0.000 0.454 464 K N 0.330 120.704 120.400 -0.043 0.000 3.117 464 K HA -0.160 4.161 4.320 0.002 0.000 0.269 464 K C 0.174 176.505 176.600 -0.449 0.000 1.098 464 K CA 0.745 56.965 56.287 -0.112 0.000 0.785 464 K CB -1.644 30.870 32.500 0.024 0.000 1.242 464 K HN 0.336 nan 8.250 nan 0.000 0.491 465 A N 1.257 123.633 122.820 -0.740 0.000 2.488 465 A HA 0.141 4.462 4.320 0.002 0.000 0.249 465 A C 0.722 177.638 177.584 -1.113 0.000 1.083 465 A CA 0.054 51.099 52.037 -1.652 0.000 0.768 465 A CB 0.117 18.594 19.000 -0.871 0.000 1.017 465 A HN 0.322 nan 8.150 nan 0.000 0.496 466 N N 2.381 120.232 118.700 -1.414 0.000 3.124 466 N HA 0.302 5.042 4.740 0.002 0.000 0.284 466 N C -1.098 174.231 175.510 -0.302 0.000 1.209 466 N CA 0.159 52.907 53.050 -0.505 0.000 1.149 466 N CB -0.157 38.264 38.487 -0.109 0.000 1.434 466 N HN 0.277 nan 8.380 nan 0.000 0.529 467 V N 2.614 122.384 119.914 -0.241 0.000 2.487 467 V HA 0.386 4.507 4.120 0.002 0.000 0.298 467 V C -0.435 175.658 176.094 -0.002 0.000 1.028 467 V CA -1.050 61.208 62.300 -0.070 0.000 0.860 467 V CB 1.697 33.493 31.823 -0.044 0.000 0.991 467 V HN 0.263 nan 8.190 nan 0.000 0.427 468 L N 5.095 126.339 121.223 0.035 0.000 2.276 468 L HA 0.580 4.921 4.340 0.002 0.000 0.286 468 L C -0.559 176.349 176.870 0.063 0.000 1.024 468 L CA -0.072 54.794 54.840 0.043 0.000 0.826 468 L CB 0.776 42.841 42.059 0.010 0.000 1.211 468 L HN 0.757 nan 8.230 nan 0.000 0.422 469 H N 4.842 123.919 119.070 0.012 0.000 2.519 469 H HA 0.597 5.154 4.556 0.001 0.000 0.316 469 H C -1.220 174.082 175.328 -0.044 0.000 1.065 469 H CA -0.408 55.642 56.048 0.004 0.000 1.264 469 H CB 0.889 30.679 29.762 0.046 0.000 1.413 469 H HN 0.685 nan 8.280 nan 0.000 0.465 470 L N 6.884 127.803 121.223 -0.506 0.000 2.295 470 L HA 0.411 4.751 4.340 0.002 0.000 0.285 470 L C -0.442 176.185 176.870 -0.405 0.000 1.035 470 L CA -0.693 53.961 54.840 -0.310 0.000 0.806 470 L CB 1.557 43.532 42.059 -0.142 0.000 1.214 470 L HN 0.601 nan 8.230 nan 0.000 0.426 471 I N 1.382 121.783 120.570 -0.281 0.000 2.382 471 I HA 0.226 4.397 4.170 0.002 0.000 0.286 471 I C -0.995 175.035 176.117 -0.145 0.000 1.002 471 I CA -0.377 60.728 61.300 -0.325 0.000 1.135 471 I CB 1.376 38.958 38.000 -0.697 0.000 1.288 471 I HN 0.482 nan 8.210 nan 0.000 0.448 472 W N 6.401 127.466 121.300 -0.392 0.000 2.358 472 W HA 0.397 5.058 4.660 0.002 0.000 0.307 472 W C -0.349 176.026 176.519 -0.239 0.000 1.203 472 W CA -0.534 56.642 57.345 -0.282 0.000 1.279 472 W CB 0.791 30.144 29.460 -0.179 0.000 1.264 472 W HN 0.068 nan 8.180 nan 0.000 0.474 473 V N 5.575 125.445 119.914 -0.074 0.000 2.370 473 V HA 0.191 4.312 4.120 0.002 0.000 0.279 473 V C 0.513 176.562 176.094 -0.076 0.000 1.029 473 V CA -0.455 61.815 62.300 -0.049 0.000 0.870 473 V CB 1.531 33.345 31.823 -0.014 0.000 0.984 473 V HN 0.637 nan 8.190 nan 0.000 0.451 474 D N 2.873 123.268 120.400 -0.008 0.000 2.525 474 D HA 0.003 4.644 4.640 0.002 0.000 0.231 474 D C 0.289 176.531 176.300 -0.096 0.000 1.216 474 D CA -0.235 53.733 54.000 -0.054 0.000 0.813 474 D CB 0.169 41.012 40.800 0.072 0.000 1.108 474 D HN 0.470 nan 8.370 nan 0.000 0.524 475 N N 0.489 119.136 118.700 -0.088 0.000 2.758 475 N HA -0.085 4.656 4.740 0.002 0.000 0.248 475 N C 0.170 175.041 175.510 -1.065 0.000 1.076 475 N CA 1.452 54.330 53.050 -0.287 0.000 0.696 475 N CB -1.353 37.054 38.487 -0.133 0.000 0.979 475 N HN 0.700 nan 8.380 nan 0.000 0.550 476 G N -1.401 106.683 108.800 -1.194 0.000 2.430 476 G HA2 0.450 4.411 3.960 0.002 0.000 0.300 476 G HA3 0.450 4.411 3.960 0.002 0.000 0.300 476 G C -1.683 172.950 174.900 -0.445 0.000 1.330 476 G CA -0.927 43.407 45.100 -1.276 0.000 0.813 476 G HN 0.084 nan 8.290 nan 0.000 0.487 477 Y N 1.439 121.730 120.300 -0.014 0.000 2.880 477 Y HA 0.240 4.791 4.550 0.002 0.000 0.329 477 Y C 1.584 177.515 175.900 0.051 0.000 1.156 477 Y CA -0.529 57.650 58.100 0.131 0.000 1.348 477 Y CB 1.086 39.639 38.460 0.156 0.000 1.280 477 Y HN 0.629 nan 8.280 nan 0.000 0.516 478 N N 2.153 120.961 118.700 0.179 0.000 2.120 478 N HA -0.242 4.499 4.740 0.002 0.000 0.188 478 N C 2.017 177.503 175.510 -0.040 0.000 1.024 478 N CA 1.497 54.576 53.050 0.049 0.000 0.852 478 N CB 0.035 38.503 38.487 -0.031 0.000 1.003 478 N HN 0.664 nan 8.380 nan 0.000 0.424 479 M N -0.364 119.206 119.600 -0.051 0.000 2.195 479 M HA -0.153 4.328 4.480 0.002 0.000 0.260 479 M C 1.236 177.495 176.300 -0.068 0.000 1.066 479 M CA 1.309 56.542 55.300 -0.112 0.000 1.089 479 M CB 0.088 32.599 32.600 -0.147 0.000 1.377 479 M HN 0.084 nan 8.290 nan 0.000 0.411 480 V N 0.084 119.997 119.914 -0.002 0.000 2.446 480 V HA -0.099 4.022 4.120 0.002 0.000 0.244 480 V C 2.600 178.708 176.094 0.023 0.000 1.039 480 V CA 1.489 63.793 62.300 0.006 0.000 1.045 480 V CB -1.150 30.693 31.823 0.033 0.000 0.681 480 V HN 0.612 nan 8.190 nan 0.000 0.459 481 A N 1.234 124.082 122.820 0.047 0.000 1.908 481 A HA -0.218 4.103 4.320 0.002 0.000 0.218 481 A C 2.155 179.742 177.584 0.006 0.000 1.181 481 A CA 2.201 54.263 52.037 0.042 0.000 0.627 481 A CB -0.661 18.367 19.000 0.046 0.000 0.818 481 A HN 0.705 nan 8.150 nan 0.000 0.445 482 I N -2.927 117.626 120.570 -0.028 0.000 2.394 482 I HA -0.250 3.921 4.170 0.002 0.000 0.251 482 I C 2.135 178.212 176.117 -0.066 0.000 1.136 482 I CA 1.764 63.036 61.300 -0.046 0.000 1.425 482 I CB -0.653 37.303 38.000 -0.073 0.000 1.079 482 I HN 0.329 nan 8.210 nan 0.000 0.425 483 Q N 1.437 121.192 119.800 -0.075 0.000 2.083 483 Q HA -0.146 4.195 4.340 0.002 0.000 0.198 483 Q C 2.093 177.998 176.000 -0.159 0.000 0.969 483 Q CA 1.650 57.388 55.803 -0.109 0.000 0.838 483 Q CB -0.144 28.538 28.738 -0.094 0.000 0.900 483 Q HN 0.657 nan 8.270 nan 0.000 0.436 484 E N 0.761 120.914 120.200 -0.078 0.000 2.072 484 E HA -0.216 4.135 4.350 0.002 0.000 0.191 484 E C 1.897 178.450 176.600 -0.079 0.000 0.985 484 E CA 0.954 57.331 56.400 -0.038 0.000 0.801 484 E CB 0.051 29.857 29.700 0.176 0.000 0.750 484 E HN 0.192 nan 8.360 nan 0.000 0.452 485 E N 1.703 121.884 120.200 -0.031 0.000 2.058 485 E HA -0.244 4.107 4.350 0.002 0.000 0.194 485 E C 1.866 178.424 176.600 -0.070 0.000 0.997 485 E CA 1.596 57.985 56.400 -0.017 0.000 0.801 485 E CB -0.071 29.627 29.700 -0.004 0.000 0.746 485 E HN -0.048 nan 8.360 nan 0.000 0.450 486 K N 0.760 121.093 120.400 -0.111 0.000 2.009 486 K HA -0.148 4.173 4.320 0.002 0.000 0.210 486 K C 1.922 178.406 176.600 -0.193 0.000 1.049 486 K CA 2.153 58.365 56.287 -0.126 0.000 0.929 486 K CB -0.154 32.271 32.500 -0.126 0.000 0.714 486 K HN 0.085 nan 8.250 nan 0.000 0.440 487 K N -1.459 118.709 120.400 -0.386 0.000 2.167 487 K HA -0.059 4.261 4.320 0.002 0.000 0.203 487 K C 1.494 177.791 176.600 -0.505 0.000 1.052 487 K CA 1.440 57.374 56.287 -0.588 0.000 0.956 487 K CB 0.077 31.944 32.500 -1.055 0.000 0.735 487 K HN 0.328 nan 8.250 nan 0.000 0.451 488 Y N -0.384 119.917 120.300 0.001 0.000 2.471 488 Y HA 0.160 4.710 4.550 0.001 0.000 0.249 488 Y C 0.013 175.916 175.900 0.005 0.000 1.116 488 Y CA -0.817 57.285 58.100 0.003 0.000 1.240 488 Y CB 0.793 39.255 38.460 0.003 0.000 1.251 488 Y HN -0.128 nan 8.280 nan 0.000 0.527 489 Q N 0.846 120.700 119.800 0.090 0.000 2.481 489 Q HA -0.212 4.129 4.340 0.002 0.000 0.258 489 Q C -0.368 175.682 176.000 0.082 0.000 0.961 489 Q CA 1.391 57.234 55.803 0.066 0.000 1.121 489 Q CB -1.978 26.794 28.738 0.058 0.000 1.503 489 Q HN 0.843 nan 8.270 nan 0.000 0.544 490 R N -1.910 118.660 120.500 0.116 0.000 2.690 490 R HA 0.740 5.081 4.340 0.002 0.000 0.269 490 R C -1.143 175.226 176.300 0.116 0.000 1.037 490 R CA -1.039 55.118 56.100 0.096 0.000 0.877 490 R CB 0.924 31.272 30.300 0.081 0.000 1.255 490 R HN -0.003 nan 8.270 nan 0.000 0.467 491 L N 1.295 122.566 121.223 0.080 0.000 2.334 491 L HA 0.705 5.046 4.340 0.002 0.000 0.272 491 L C -0.393 176.518 176.870 0.069 0.000 1.020 491 L CA -1.024 53.864 54.840 0.081 0.000 0.812 491 L CB 2.099 44.192 42.059 0.057 0.000 1.264 491 L HN 0.966 nan 8.230 nan 0.000 0.439 492 S N -0.781 114.967 115.700 0.079 0.000 2.649 492 S HA 0.565 5.036 4.470 0.002 0.000 0.274 492 S C 0.223 174.876 174.600 0.088 0.000 1.176 492 S CA -0.160 58.078 58.200 0.064 0.000 0.988 492 S CB 1.563 64.784 63.200 0.034 0.000 1.071 492 S HN 1.132 nan 8.310 nan 0.000 0.478 493 G N 1.350 110.208 108.800 0.097 0.000 2.187 493 G HA2 -0.271 3.690 3.960 0.002 0.000 0.261 493 G HA3 -0.271 3.690 3.960 0.002 0.000 0.261 493 G C 0.506 175.550 174.900 0.241 0.000 1.000 493 G CA 0.699 45.887 45.100 0.147 0.000 0.718 493 G HN 2.095 nan 8.290 nan 0.000 0.519 494 V N -3.473 116.553 119.914 0.186 0.000 3.319 494 V HA 0.594 4.715 4.120 0.002 0.000 0.317 494 V C 0.305 176.389 176.094 -0.017 0.000 1.411 494 V CA 0.313 62.743 62.300 0.217 0.000 1.112 494 V CB 0.175 32.096 31.823 0.164 0.000 1.031 494 V HN 0.352 nan 8.190 nan 0.000 0.448 495 E N 1.284 121.458 120.200 -0.043 0.000 2.234 495 E HA 0.715 5.066 4.350 0.002 0.000 0.266 495 E C -1.154 175.382 176.600 -0.107 0.000 0.877 495 E CA -0.643 55.631 56.400 -0.210 0.000 0.758 495 E CB 2.335 31.974 29.700 -0.102 0.000 1.170 495 E HN 0.484 nan 8.360 nan 0.000 0.415 496 F N -0.489 119.409 119.950 -0.086 0.000 2.814 496 F HA 0.816 5.344 4.527 0.001 0.000 0.353 496 F C 0.488 176.262 175.800 -0.043 0.000 1.177 496 F CA -1.310 56.648 58.000 -0.070 0.000 1.036 496 F CB 0.070 39.000 39.000 -0.116 0.000 1.455 496 F HN 0.402 nan 8.300 nan 0.000 0.520 497 G N -0.038 108.947 108.800 0.308 0.000 2.528 497 G HA2 0.597 4.558 3.960 0.002 0.000 0.289 497 G HA3 0.597 4.558 3.960 0.002 0.000 0.289 497 G C -2.793 172.219 174.900 0.187 0.000 1.192 497 G CA -1.541 43.657 45.100 0.164 0.000 0.921 497 G HN 0.608 nan 8.290 nan 0.000 0.512 498 P HA 0.459 nan 4.420 nan 0.000 0.278 498 P C -0.816 176.435 177.300 -0.082 0.000 1.266 498 P CA -0.354 62.768 63.100 0.038 0.000 0.807 498 P CB 1.604 33.314 31.700 0.016 0.000 1.094 499 M N -0.025 119.418 119.600 -0.262 0.000 2.575 499 M HA 0.218 4.699 4.480 0.002 0.000 0.284 499 M C -0.796 175.170 176.300 -0.557 0.000 1.253 499 M CA -0.628 54.362 55.300 -0.517 0.000 0.861 499 M CB 2.484 34.513 32.600 -0.951 0.000 1.733 499 M HN 0.221 nan 8.290 nan 0.000 0.462 500 D N 1.246 121.434 120.400 -0.354 0.000 2.494 500 D HA 0.235 4.876 4.640 0.002 0.000 0.217 500 D C 0.135 176.361 176.300 -0.123 0.000 1.153 500 D CA 0.001 53.907 54.000 -0.157 0.000 0.954 500 D CB 0.051 40.824 40.800 -0.045 0.000 1.034 500 D HN 0.413 nan 8.370 nan 0.000 0.518 501 F N 1.810 121.799 119.950 0.065 0.000 2.269 501 F HA -0.074 4.454 4.527 0.001 0.000 0.301 501 F C 2.475 178.361 175.800 0.143 0.000 1.082 501 F CA 0.635 58.683 58.000 0.079 0.000 1.360 501 F CB 0.034 38.986 39.000 -0.080 0.000 1.041 501 F HN 0.293 nan 8.300 nan 0.000 0.512 502 K N 0.973 121.515 120.400 0.238 0.000 2.002 502 K HA -0.180 4.141 4.320 0.002 0.000 0.209 502 K C 2.319 179.000 176.600 0.134 0.000 1.048 502 K CA 1.391 57.766 56.287 0.147 0.000 0.930 502 K CB -0.380 32.162 32.500 0.071 0.000 0.714 502 K HN 0.177 nan 8.250 nan 0.000 0.438 503 A N 0.274 123.164 122.820 0.117 0.000 1.933 503 A HA -0.187 4.134 4.320 0.002 0.000 0.218 503 A C 2.059 179.741 177.584 0.163 0.000 1.175 503 A CA 1.401 53.495 52.037 0.094 0.000 0.628 503 A CB -0.893 18.142 19.000 0.058 0.000 0.814 503 A HN 0.608 nan 8.150 nan 0.000 0.444 504 Y N 0.656 121.030 120.300 0.123 0.000 2.070 504 Y HA -0.185 4.366 4.550 0.001 0.000 0.280 504 Y C 2.703 178.831 175.900 0.381 0.000 1.148 504 Y CA 1.749 59.987 58.100 0.231 0.000 1.125 504 Y CB -0.583 38.055 38.460 0.296 0.000 0.975 504 Y HN 0.307 nan 8.280 nan 0.000 0.492 505 A N 0.221 123.326 122.820 0.476 0.000 1.902 505 A HA -0.215 4.106 4.320 0.002 0.000 0.217 505 A C 2.042 179.779 177.584 0.255 0.000 1.181 505 A CA 1.921 54.174 52.037 0.359 0.000 0.623 505 A CB -0.788 18.377 19.000 0.274 0.000 0.818 505 A HN 0.670 nan 8.150 nan 0.000 0.443 506 E N 0.409 120.698 120.200 0.149 0.000 2.153 506 E HA -0.167 4.184 4.350 0.002 0.000 0.194 506 E C 2.214 178.847 176.600 0.055 0.000 0.988 506 E CA 1.343 57.785 56.400 0.071 0.000 0.811 506 E CB -0.257 29.452 29.700 0.015 0.000 0.746 506 E HN 0.811 nan 8.360 nan 0.000 0.466 507 S N 0.249 115.965 115.700 0.026 0.000 2.442 507 S HA -0.132 4.339 4.470 0.002 0.000 0.236 507 S C 1.606 176.107 174.600 -0.166 0.000 1.007 507 S CA 0.714 58.849 58.200 -0.109 0.000 0.965 507 S CB -0.345 62.718 63.200 -0.229 0.000 0.773 507 S HN 0.165 nan 8.310 nan 0.000 0.504 508 F N 1.777 121.661 119.950 -0.110 0.000 2.664 508 F HA 0.379 4.907 4.527 0.001 0.000 0.296 508 F C 2.114 177.887 175.800 -0.045 0.000 1.125 508 F CA 0.384 58.333 58.000 -0.085 0.000 1.444 508 F CB -0.090 38.864 39.000 -0.077 0.000 1.114 508 F HN 0.437 nan 8.300 nan 0.000 0.576 509 G N 0.005 108.889 108.800 0.139 0.000 2.148 509 G HA2 -0.024 3.937 3.960 0.002 0.000 0.203 509 G HA3 -0.024 3.937 3.960 0.002 0.000 0.203 509 G C 0.142 175.087 174.900 0.075 0.000 0.993 509 G CA -0.227 44.919 45.100 0.077 0.000 0.661 509 G HN 0.587 nan 8.290 nan 0.000 0.518 510 A N -0.178 122.703 122.820 0.101 0.000 2.269 510 A HA 0.800 5.121 4.320 0.002 0.000 0.327 510 A C 0.315 177.929 177.584 0.049 0.000 1.112 510 A CA -0.544 51.533 52.037 0.068 0.000 0.865 510 A CB 0.843 19.880 19.000 0.061 0.000 1.227 510 A HN 0.115 nan 8.150 nan 0.000 0.498 511 K N 0.603 121.033 120.400 0.050 0.000 2.276 511 K HA 0.440 4.761 4.320 0.002 0.000 0.283 511 K C 0.143 176.730 176.600 -0.021 0.000 1.044 511 K CA 0.214 56.495 56.287 -0.010 0.000 0.944 511 K CB 1.106 33.665 32.500 0.099 0.000 1.012 511 K HN 0.808 nan 8.250 nan 0.000 0.472 512 G N 2.345 111.002 108.800 -0.237 0.000 2.452 512 G HA2 0.734 4.695 3.960 0.002 0.000 0.324 512 G HA3 0.734 4.695 3.960 0.002 0.000 0.324 512 G C -1.257 173.368 174.900 -0.459 0.000 1.214 512 G CA -0.452 44.566 45.100 -0.137 0.000 0.947 512 G HN 0.321 nan 8.290 nan 0.000 0.478 513 F N -0.064 119.916 119.950 0.051 0.000 2.613 513 F HA 0.749 5.277 4.527 0.001 0.000 0.310 513 F C 0.156 175.977 175.800 0.036 0.000 1.085 513 F CA -0.994 57.024 58.000 0.031 0.000 0.945 513 F CB 2.847 41.851 39.000 0.008 0.000 1.298 513 F HN 0.695 nan 8.300 nan 0.000 0.455 514 A N 1.506 124.458 122.820 0.220 0.000 2.446 514 A HA 0.665 4.986 4.320 0.002 0.000 0.282 514 A C -1.492 176.160 177.584 0.112 0.000 1.102 514 A CA -0.675 51.451 52.037 0.148 0.000 0.737 514 A CB 0.737 19.816 19.000 0.131 0.000 1.212 514 A HN 0.525 nan 8.150 nan 0.000 0.434 515 V N 3.220 123.186 119.914 0.087 0.000 2.446 515 V HA 0.059 4.180 4.120 0.002 0.000 0.276 515 V C 0.902 177.045 176.094 0.080 0.000 1.030 515 V CA 0.749 63.081 62.300 0.053 0.000 1.033 515 V CB 0.371 32.211 31.823 0.029 0.000 0.993 515 V HN 1.020 nan 8.190 nan 0.000 0.477 516 E N 2.577 122.724 120.200 -0.089 0.000 2.476 516 E HA 0.141 4.492 4.350 0.002 0.000 0.199 516 E C 0.501 176.480 176.600 -1.035 0.000 1.021 516 E CA 0.264 56.478 56.400 -0.310 0.000 0.907 516 E CB 0.739 30.327 29.700 -0.186 0.000 0.974 516 E HN 0.805 nan 8.360 nan 0.000 0.489 517 S N -1.538 113.701 115.700 -0.769 0.000 2.588 517 S HA 0.585 5.056 4.470 0.002 0.000 0.269 517 S C 0.604 175.042 174.600 -0.270 0.000 1.157 517 S CA -0.408 57.315 58.200 -0.795 0.000 0.824 517 S CB 1.366 64.298 63.200 -0.447 0.000 1.126 517 S HN -0.045 nan 8.310 nan 0.000 0.464 518 A N 1.282 124.040 122.820 -0.104 0.000 1.877 518 A HA -0.081 4.240 4.320 0.002 0.000 0.216 518 A C 1.992 179.536 177.584 -0.067 0.000 1.186 518 A CA 1.820 53.847 52.037 -0.016 0.000 0.620 518 A CB -1.368 17.637 19.000 0.007 0.000 0.822 518 A HN 1.062 nan 8.150 nan 0.000 0.443 519 E N -0.107 120.042 120.200 -0.085 0.000 2.265 519 E HA 0.015 4.366 4.350 0.002 0.000 0.196 519 E C 1.611 178.162 176.600 -0.081 0.000 0.996 519 E CA 0.979 57.332 56.400 -0.078 0.000 0.832 519 E CB -0.303 29.353 29.700 -0.073 0.000 0.756 519 E HN 0.472 nan 8.360 nan 0.000 0.491 520 A N 0.858 123.621 122.820 -0.096 0.000 2.208 520 A HA 0.086 4.407 4.320 0.002 0.000 0.209 520 A C 1.948 179.486 177.584 -0.077 0.000 1.161 520 A CA 0.253 52.240 52.037 -0.083 0.000 0.782 520 A CB -0.335 18.609 19.000 -0.093 0.000 0.816 520 A HN 0.317 nan 8.150 nan 0.000 0.477 521 L N 0.344 121.518 121.223 -0.082 0.000 1.955 521 L HA -0.155 4.186 4.340 0.002 0.000 0.213 521 L C 2.112 178.920 176.870 -0.103 0.000 1.072 521 L CA 2.681 57.465 54.840 -0.093 0.000 0.755 521 L CB -0.767 41.230 42.059 -0.103 0.000 0.888 521 L HN 0.365 nan 8.230 nan 0.000 0.432 522 E N -0.246 119.898 120.200 -0.094 0.000 2.085 522 E HA -0.168 4.183 4.350 0.002 0.000 0.194 522 E C -0.255 176.289 176.600 -0.094 0.000 0.994 522 E CA 1.992 58.337 56.400 -0.092 0.000 0.801 522 E CB -1.636 28.017 29.700 -0.078 0.000 0.743 522 E HN 0.470 nan 8.360 nan 0.000 0.453 523 P HA -0.074 nan 4.420 nan 0.000 0.217 523 P C 1.071 178.304 177.300 -0.112 0.000 1.150 523 P CA 1.474 64.527 63.100 -0.077 0.000 0.832 523 P CB 0.062 31.730 31.700 -0.054 0.000 0.787 524 T N -0.236 114.242 114.554 -0.128 0.000 2.737 524 T HA -0.082 4.269 4.350 0.002 0.000 0.265 524 T C 1.748 176.228 174.700 -0.367 0.000 1.038 524 T CA 1.043 63.013 62.100 -0.216 0.000 1.144 524 T CB -0.936 67.853 68.868 -0.131 0.000 0.866 524 T HN 0.044 nan 8.240 nan 0.000 0.434 525 L N 0.634 121.709 121.223 -0.246 0.000 2.042 525 L HA -0.130 4.211 4.340 0.002 0.000 0.210 525 L C 2.864 179.605 176.870 -0.216 0.000 1.076 525 L CA 1.294 55.996 54.840 -0.229 0.000 0.749 525 L CB -0.485 41.488 42.059 -0.143 0.000 0.893 525 L HN 0.138 nan 8.230 nan 0.000 0.432 526 R N 0.771 121.171 120.500 -0.167 0.000 2.081 526 R HA -0.123 4.218 4.340 0.002 0.000 0.235 526 R C 2.209 178.423 176.300 -0.144 0.000 1.131 526 R CA 1.787 57.814 56.100 -0.122 0.000 0.960 526 R CB -0.738 29.512 30.300 -0.083 0.000 0.856 526 R HN 0.304 nan 8.270 nan 0.000 0.436 527 A N 0.269 122.968 122.820 -0.201 0.000 1.877 527 A HA -0.043 4.278 4.320 0.002 0.000 0.216 527 A C 2.396 179.818 177.584 -0.271 0.000 1.186 527 A CA 1.923 53.852 52.037 -0.179 0.000 0.620 527 A CB -1.142 17.775 19.000 -0.138 0.000 0.822 527 A HN 0.494 nan 8.150 nan 0.000 0.443 528 A N -1.193 121.251 122.820 -0.625 0.000 1.933 528 A HA -0.101 4.220 4.320 0.002 0.000 0.218 528 A C 2.177 179.670 177.584 -0.152 0.000 1.175 528 A CA 1.880 53.615 52.037 -0.504 0.000 0.628 528 A CB -0.465 18.151 19.000 -0.639 0.000 0.814 528 A HN 0.421 nan 8.150 nan 0.000 0.444 529 M N 0.007 119.522 119.600 -0.141 0.000 2.159 529 M HA -0.121 4.360 4.480 0.002 0.000 0.263 529 M C 1.012 177.300 176.300 -0.020 0.000 1.063 529 M CA 1.351 56.616 55.300 -0.058 0.000 1.110 529 M CB -1.218 31.350 32.600 -0.053 0.000 1.374 529 M HN 0.340 nan 8.290 nan 0.000 0.411 530 D N 0.059 120.446 120.400 -0.022 0.000 2.348 530 D HA -0.005 4.636 4.640 0.002 0.000 0.216 530 D C 0.393 176.714 176.300 0.035 0.000 0.970 530 D CA 0.236 54.242 54.000 0.010 0.000 0.889 530 D CB 0.126 40.932 40.800 0.010 0.000 0.912 530 D HN 0.111 nan 8.370 nan 0.000 0.524 531 V N 2.036 121.979 119.914 0.049 0.000 2.529 531 V HA -0.071 4.050 4.120 0.002 0.000 0.292 531 V C 0.719 176.840 176.094 0.046 0.000 1.028 531 V CA -0.001 62.343 62.300 0.074 0.000 1.074 531 V CB 1.195 33.094 31.823 0.127 0.000 0.958 531 V HN 0.032 nan 8.190 nan 0.000 0.481 532 D N 4.309 124.734 120.400 0.043 0.000 2.522 532 D HA 0.504 5.145 4.640 0.002 0.000 0.218 532 D C 0.265 176.569 176.300 0.008 0.000 1.149 532 D CA 0.825 54.845 54.000 0.034 0.000 0.981 532 D CB 0.518 41.347 40.800 0.048 0.000 1.041 532 D HN 0.822 nan 8.370 nan 0.000 0.518 533 G N 2.964 111.745 108.800 -0.032 0.000 2.362 533 G HA2 0.027 3.988 3.960 0.002 0.000 0.288 533 G HA3 0.027 3.988 3.960 0.002 0.000 0.288 533 G C -3.136 171.714 174.900 -0.084 0.000 1.305 533 G CA -0.972 44.076 45.100 -0.086 0.000 0.910 533 G HN 0.139 nan 8.290 nan 0.000 0.518 534 P HA 0.510 nan 4.420 nan 0.000 0.271 534 P C -0.325 176.996 177.300 0.035 0.000 1.216 534 P CA 0.572 63.643 63.100 -0.047 0.000 0.771 534 P CB 1.411 33.075 31.700 -0.060 0.000 0.864 535 A N 2.787 125.653 122.820 0.076 0.000 2.515 535 A HA 0.694 5.015 4.320 0.002 0.000 0.298 535 A C -1.358 176.330 177.584 0.175 0.000 1.059 535 A CA -0.588 51.549 52.037 0.168 0.000 0.698 535 A CB 1.404 20.534 19.000 0.217 0.000 1.289 535 A HN 0.291 nan 8.150 nan 0.000 0.404 536 V N 1.477 121.529 119.914 0.229 0.000 2.638 536 V HA 0.600 4.720 4.120 0.002 0.000 0.306 536 V C -0.735 175.487 176.094 0.213 0.000 1.052 536 V CA -0.551 61.861 62.300 0.186 0.000 0.885 536 V CB 1.748 33.667 31.823 0.161 0.000 0.999 536 V HN 0.736 nan 8.190 nan 0.000 0.424 537 V N 3.417 123.384 119.914 0.088 0.000 2.444 537 V HA 0.772 4.892 4.120 0.002 0.000 0.294 537 V C 0.280 176.343 176.094 -0.052 0.000 1.022 537 V CA -0.627 61.716 62.300 0.071 0.000 0.850 537 V CB 1.832 33.638 31.823 -0.029 0.000 0.992 537 V HN 0.999 nan 8.190 nan 0.000 0.426 538 A N 6.484 129.291 122.820 -0.021 0.000 2.289 538 A HA 0.845 5.166 4.320 0.002 0.000 0.298 538 A C -0.471 177.069 177.584 -0.073 0.000 1.208 538 A CA -0.325 51.646 52.037 -0.110 0.000 0.845 538 A CB 0.175 19.195 19.000 0.034 0.000 1.125 538 A HN 0.798 nan 8.150 nan 0.000 0.517 539 I N 4.191 124.667 120.570 -0.157 0.000 2.420 539 I HA 0.262 4.433 4.170 0.002 0.000 0.282 539 I C -2.549 173.426 176.117 -0.236 0.000 1.019 539 I CA -2.115 59.069 61.300 -0.194 0.000 1.130 539 I CB 2.048 39.841 38.000 -0.346 0.000 1.262 539 I HN 0.366 nan 8.210 nan 0.000 0.454 540 P HA 0.046 nan 4.420 nan 0.000 0.267 540 P C -0.605 176.432 177.300 -0.438 0.000 1.209 540 P CA 0.103 63.032 63.100 -0.285 0.000 0.763 540 P CB 1.047 32.538 31.700 -0.348 0.000 0.816 541 V N 3.418 123.052 119.914 -0.467 0.000 2.680 541 V HA 0.434 4.555 4.120 0.002 0.000 0.309 541 V C -0.998 174.771 176.094 -0.542 0.000 1.052 541 V CA -0.730 61.215 62.300 -0.591 0.000 0.908 541 V CB 2.133 33.505 31.823 -0.751 0.000 1.001 541 V HN 0.351 nan 8.190 nan 0.000 0.431 542 D N 4.204 124.331 120.400 -0.455 0.000 2.412 542 D HA 0.254 4.895 4.640 0.002 0.000 0.224 542 D C -0.013 176.179 176.300 -0.179 0.000 1.093 542 D CA 0.074 53.907 54.000 -0.279 0.000 0.850 542 D CB 0.721 41.397 40.800 -0.206 0.000 1.046 542 D HN 0.623 nan 8.370 nan 0.000 0.507 543 Y N 2.493 122.759 120.300 -0.056 0.000 2.462 543 Y HA 0.020 4.571 4.550 0.002 0.000 0.293 543 Y C 2.069 178.003 175.900 0.056 0.000 1.195 543 Y CA -0.596 57.524 58.100 0.033 0.000 1.276 543 Y CB 0.450 38.970 38.460 0.099 0.000 1.082 543 Y HN 0.292 nan 8.280 nan 0.000 0.514 544 R N 1.212 121.804 120.500 0.154 0.000 2.105 544 R HA -0.182 4.159 4.340 0.002 0.000 0.239 544 R C 0.891 177.284 176.300 0.155 0.000 1.135 544 R CA 1.961 58.135 56.100 0.124 0.000 0.967 544 R CB -0.422 29.925 30.300 0.078 0.000 0.861 544 R HN 0.187 nan 8.270 nan 0.000 0.442 545 D N -0.288 120.224 120.400 0.186 0.000 2.363 545 D HA -0.021 4.620 4.640 0.002 0.000 0.226 545 D C 0.931 177.437 176.300 0.344 0.000 1.020 545 D CA 0.347 54.512 54.000 0.274 0.000 0.892 545 D CB -0.170 40.843 40.800 0.355 0.000 0.900 545 D HN 0.247 nan 8.370 nan 0.000 0.531 546 N N 0.642 119.542 118.700 0.333 0.000 2.137 546 N HA -0.119 4.621 4.740 0.002 0.000 0.190 546 N C -1.067 174.489 175.510 0.076 0.000 1.017 546 N CA 1.007 54.199 53.050 0.237 0.000 0.859 546 N CB -1.207 37.365 38.487 0.141 0.000 1.002 546 N HN 0.263 nan 8.380 nan 0.000 0.428 547 P HA -0.130 nan 4.420 nan 0.000 0.216 547 P C 1.493 178.807 177.300 0.023 0.000 1.150 547 P CA 0.915 64.034 63.100 0.031 0.000 0.843 547 P CB 0.021 31.747 31.700 0.043 0.000 0.787 548 L N -1.711 119.547 121.223 0.058 0.000 1.970 548 L HA -0.198 4.143 4.340 0.002 0.000 0.212 548 L C 2.414 179.273 176.870 -0.019 0.000 1.071 548 L CA 1.301 56.169 54.840 0.047 0.000 0.751 548 L CB -1.287 40.839 42.059 0.113 0.000 0.889 548 L HN 0.007 nan 8.230 nan 0.000 0.432 549 L N -0.516 120.650 121.223 -0.095 0.000 2.017 549 L HA -0.215 4.126 4.340 0.002 0.000 0.208 549 L C 2.501 179.291 176.870 -0.133 0.000 1.073 549 L CA 1.815 56.510 54.840 -0.242 0.000 0.745 549 L CB -0.435 41.205 42.059 -0.699 0.000 0.894 549 L HN 0.185 nan 8.230 nan 0.000 0.432 550 M N -0.540 118.987 119.600 -0.122 0.000 2.358 550 M HA -0.033 4.448 4.480 0.002 0.000 0.264 550 M C 2.141 178.410 176.300 -0.051 0.000 1.064 550 M CA 1.249 56.493 55.300 -0.093 0.000 1.093 550 M CB -2.217 30.327 32.600 -0.094 0.000 1.401 550 M HN 0.432 nan 8.290 nan 0.000 0.440 551 G N -0.349 108.431 108.800 -0.033 0.000 2.679 551 G HA2 -0.145 3.816 3.960 0.002 0.000 0.212 551 G HA3 -0.145 3.816 3.960 0.002 0.000 0.212 551 G C 1.428 176.327 174.900 -0.001 0.000 1.137 551 G CA 0.088 45.180 45.100 -0.014 0.000 0.787 551 G HN 0.549 nan 8.290 nan 0.000 0.534 552 Q N -0.542 119.267 119.800 0.015 0.000 2.319 552 Q HA 0.310 4.651 4.340 0.002 0.000 0.202 552 Q C 0.308 176.373 176.000 0.109 0.000 0.896 552 Q CA -0.251 55.589 55.803 0.062 0.000 0.942 552 Q CB 0.461 29.235 28.738 0.059 0.000 1.083 552 Q HN 0.367 nan 8.270 nan 0.000 0.510 553 L N 0.411 121.641 121.223 0.012 0.000 2.375 553 L HA 0.150 4.491 4.340 0.002 0.000 0.271 553 L C 1.394 178.229 176.870 -0.059 0.000 1.107 553 L CA -0.717 54.058 54.840 -0.107 0.000 0.806 553 L CB 0.639 42.607 42.059 -0.152 0.000 1.146 553 L HN 0.166 nan 8.230 nan 0.000 0.447 554 H N 1.570 120.622 119.070 -0.030 0.000 2.387 554 H HA -0.169 4.388 4.556 0.002 0.000 0.299 554 H C 1.777 177.098 175.328 -0.013 0.000 1.099 554 H CA 1.514 57.568 56.048 0.011 0.000 1.315 554 H CB 0.244 30.032 29.762 0.044 0.000 1.380 554 H HN 0.448 nan 8.280 nan 0.000 0.513 555 L N 0.674 121.944 121.223 0.078 0.000 2.013 555 L HA -0.186 4.155 4.340 0.002 0.000 0.212 555 L C 2.364 179.232 176.870 -0.003 0.000 1.073 555 L CA 1.604 56.450 54.840 0.011 0.000 0.753 555 L CB -0.762 41.269 42.059 -0.046 0.000 0.890 555 L HN 0.024 nan 8.230 nan 0.000 0.432 556 S N -0.900 114.794 115.700 -0.010 0.000 2.399 556 S HA -0.216 4.255 4.470 0.002 0.000 0.231 556 S C 1.752 176.354 174.600 0.004 0.000 1.022 556 S CA 1.395 59.586 58.200 -0.014 0.000 0.983 556 S CB -0.282 62.907 63.200 -0.017 0.000 0.803 556 S HN 0.626 nan 8.310 nan 0.000 0.480 557 Q N -0.107 119.711 119.800 0.032 0.000 2.435 557 Q HA 0.091 4.432 4.340 0.002 0.000 0.207 557 Q C 0.409 176.426 176.000 0.028 0.000 0.956 557 Q CA 0.351 56.178 55.803 0.040 0.000 0.917 557 Q CB 0.021 28.806 28.738 0.079 0.000 0.997 557 Q HN 0.413 nan 8.270 nan 0.000 0.497 558 I N 0.000 120.583 120.570 0.022 0.000 2.984 558 I HA 0.000 4.171 4.170 0.002 0.000 0.288 558 I CA 0.000 61.304 61.300 0.006 0.000 1.566 558 I CB 0.000 38.002 38.000 0.003 0.000 1.214 558 I HN 0.000 nan 8.210 nan 0.000 0.494