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 2zxp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRDRVRWRVL SLPPLAQWRE VMAALEVGPE AALAYWHRGF RRKEDLDPPL DATA SEQUENCE ALLPLKGLRE AAALLEEALR QGKRIRVHGD YDADGLTGTA ILVRGLAALG DATA SEQUENCE ADVHPFIPXX XXXXXXXXME RVPEHLEASD LFLTVDCGIT NHAELRELLE DATA SEQUENCE NGVEVIVTDH HTPGKTPPPG LVVHPALTPD LKEKPTGAGV AFLLLWALHE DATA SEQUENCE RLGLPPPLEY ADLAAVGTIA DVAPLWGWNR ALVKEGLARI PASSWVGLRL DATA SEQUENCE LAEAVGYTGK AVEVAFRIAP RINAASRLGE AEKALRLLLT DDAAEAQALV DATA SEQUENCE GELHRLNARR QTLEEAMLRK LLPQADPEAK AIVLLDPEGH PGVMGIVASR DATA SEQUENCE ILEATLRPVF LVAQGKGTVR SLAPISAVEA LRSAEDLLLR YGGHKEAAGF DATA SEQUENCE AMDEALFPAF KARVEAYAAR FPDPVREVAL LDLLPEPGLL PQVFRELALL DATA SEQUENCE EPYGEGNPEP LFLLFGAPEE ARRLGEGRHL AFRLKGVRVL AWKQGDLALP DATA SEQUENCE PEVEVAGLLS ENAWNGHLAY EVQAVDLRKP EALEGGIAPF AYPLPLLEAL DATA SEQUENCE ARARLGEGVY VPEDNPEGLD YAWKAGFRLL PPEEAGLWLG LPPRPVLGRR DATA SEQUENCE VEVALGREAR ARLSAPPVLH TPEARLKALV HRRLLFAYER RHPGLFSEAL DATA SEQUENCE LAYWEVNR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.327 55.300 0.046 0.000 0.988 1 M CB 0.000 32.624 32.600 0.039 0.000 1.302 2 R N -1.119 119.410 120.500 0.049 0.000 2.725 2 R HA 0.285 4.625 4.340 -0.000 0.000 0.207 2 R C 0.849 177.175 176.300 0.043 0.000 0.924 2 R CA 0.639 56.771 56.100 0.054 0.000 1.098 2 R CB -0.602 29.724 30.300 0.044 0.000 1.602 2 R HN 0.079 nan 8.270 nan 0.000 0.615 3 D N 1.098 121.517 120.400 0.032 0.000 2.340 3 D HA 0.117 4.757 4.640 -0.000 0.000 0.220 3 D C 0.256 176.574 176.300 0.031 0.000 1.039 3 D CA 0.271 54.284 54.000 0.021 0.000 0.866 3 D CB 0.360 41.169 40.800 0.015 0.000 0.913 3 D HN 0.225 nan 8.370 nan 0.000 0.523 4 R N -0.333 120.195 120.500 0.046 0.000 2.700 4 R HA 0.255 4.595 4.340 -0.000 0.000 0.377 4 R C -0.640 175.705 176.300 0.075 0.000 1.130 4 R CA -0.201 55.931 56.100 0.054 0.000 1.055 4 R CB 1.628 31.957 30.300 0.050 0.000 1.387 4 R HN -0.097 nan 8.270 nan 0.000 0.580 5 V N 1.525 121.495 119.914 0.094 0.000 2.347 5 V HA 0.345 4.465 4.120 -0.000 0.000 0.280 5 V C -0.136 176.072 176.094 0.189 0.000 1.021 5 V CA -0.778 61.613 62.300 0.152 0.000 0.847 5 V CB 1.624 33.569 31.823 0.204 0.000 0.990 5 V HN 0.110 nan 8.190 nan 0.000 0.444 6 R N 3.846 124.469 120.500 0.205 0.000 2.265 6 R HA 0.447 4.787 4.340 -0.000 0.000 0.328 6 R C -1.293 175.221 176.300 0.357 0.000 0.969 6 R CA -0.496 55.735 56.100 0.219 0.000 0.832 6 R CB 0.739 31.122 30.300 0.137 0.000 1.139 6 R HN 0.580 nan 8.270 nan 0.000 0.457 7 W N 3.856 125.185 121.300 0.049 0.000 2.322 7 W HA 0.450 5.110 4.660 -0.000 0.000 0.307 7 W C 0.581 177.129 176.519 0.048 0.000 1.220 7 W CA -0.512 56.862 57.345 0.047 0.000 1.210 7 W CB 0.548 30.048 29.460 0.067 0.000 1.223 7 W HN 0.287 nan 8.180 nan 0.000 0.511 8 R N 2.140 122.769 120.500 0.215 0.000 2.686 8 R HA 0.679 5.019 4.340 -0.000 0.000 0.283 8 R C -1.662 174.675 176.300 0.063 0.000 0.978 8 R CA -0.684 55.493 56.100 0.129 0.000 0.897 8 R CB 1.786 32.133 30.300 0.077 0.000 1.192 8 R HN 0.252 nan 8.270 nan 0.000 0.457 9 V N 5.729 125.676 119.914 0.054 0.000 2.407 9 V HA 0.265 4.385 4.120 -0.000 0.000 0.278 9 V C 0.594 176.684 176.094 -0.007 0.000 1.037 9 V CA -0.717 61.591 62.300 0.013 0.000 0.900 9 V CB 1.247 33.081 31.823 0.019 0.000 0.983 9 V HN 0.666 nan 8.190 nan 0.000 0.459 10 L N 4.214 125.406 121.223 -0.052 0.000 2.483 10 L HA 0.178 4.518 4.340 -0.000 0.000 0.276 10 L C 1.144 178.051 176.870 0.063 0.000 1.213 10 L CA 0.170 54.956 54.840 -0.091 0.000 0.843 10 L CB 0.594 42.462 42.059 -0.317 0.000 1.107 10 L HN 0.878 nan 8.230 nan 0.000 0.487 11 S N 2.990 118.758 115.700 0.114 0.000 2.584 11 S HA 0.340 4.810 4.470 -0.000 0.000 0.270 11 S C -0.270 174.385 174.600 0.092 0.000 1.346 11 S CA -0.786 57.497 58.200 0.139 0.000 1.018 11 S CB 0.611 63.913 63.200 0.171 0.000 0.899 11 S HN 0.419 nan 8.310 nan 0.000 0.542 12 L N 2.759 123.959 121.223 -0.037 0.000 2.350 12 L HA 0.482 4.822 4.340 -0.000 0.000 0.275 12 L C -1.736 174.859 176.870 -0.459 0.000 1.099 12 L CA -2.099 52.582 54.840 -0.265 0.000 0.808 12 L CB 0.855 42.904 42.059 -0.015 0.000 1.149 12 L HN 0.600 nan 8.230 nan 0.000 0.442 13 P HA 0.300 nan 4.420 nan 0.000 0.278 13 P C -2.729 174.252 177.300 -0.531 0.000 1.266 13 P CA -1.992 60.322 63.100 -1.311 0.000 0.807 13 P CB 0.090 30.174 31.700 -2.694 0.000 1.094 14 P HA 0.016 nan 4.420 nan 0.000 0.264 14 P C 1.406 178.705 177.300 -0.003 0.000 1.193 14 P CA -0.026 63.032 63.100 -0.070 0.000 0.763 14 P CB 0.471 32.170 31.700 -0.001 0.000 0.810 15 L N 3.021 124.300 121.223 0.093 0.000 2.129 15 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 15 L C 2.395 179.319 176.870 0.090 0.000 1.087 15 L CA 2.465 57.381 54.840 0.127 0.000 0.757 15 L CB -1.853 40.238 42.059 0.053 0.000 0.896 15 L HN 0.408 nan 8.230 nan 0.000 0.434 16 A N -0.962 121.896 122.820 0.063 0.000 1.969 16 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 16 A C 2.173 179.806 177.584 0.081 0.000 1.169 16 A CA 1.245 53.318 52.037 0.060 0.000 0.635 16 A CB -0.273 18.759 19.000 0.054 0.000 0.810 16 A HN 0.535 nan 8.150 nan 0.000 0.445 17 Q N -2.188 117.659 119.800 0.078 0.000 2.212 17 Q HA -0.112 4.228 4.340 -0.000 0.000 0.199 17 Q C 1.932 177.998 176.000 0.110 0.000 0.950 17 Q CA 0.734 56.601 55.803 0.106 0.000 0.863 17 Q CB -0.141 28.681 28.738 0.140 0.000 0.944 17 Q HN 0.876 nan 8.270 nan 0.000 0.465 18 W N 2.109 123.302 121.300 -0.178 0.000 2.381 18 W HA -0.075 4.585 4.660 0.000 0.000 0.301 18 W C 1.681 178.167 176.519 -0.055 0.000 1.205 18 W CA 1.219 58.459 57.345 -0.174 0.000 1.285 18 W CB -0.116 29.215 29.460 -0.214 0.000 1.133 18 W HN 0.033 nan 8.180 nan 0.000 0.521 19 R N -0.062 120.552 120.500 0.188 0.000 2.115 19 R HA -0.130 4.210 4.340 -0.000 0.000 0.230 19 R C 2.055 178.412 176.300 0.095 0.000 1.111 19 R CA 1.632 57.778 56.100 0.077 0.000 0.976 19 R CB -0.406 29.904 30.300 0.017 0.000 0.870 19 R HN 0.232 nan 8.270 nan 0.000 0.445 20 E N -0.023 120.246 120.200 0.114 0.000 2.106 20 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 20 E C 1.943 178.615 176.600 0.120 0.000 0.984 20 E CA 1.154 57.615 56.400 0.103 0.000 0.806 20 E CB 0.151 29.914 29.700 0.105 0.000 0.750 20 E HN 0.088 nan 8.360 nan 0.000 0.458 21 V N 1.134 121.151 119.914 0.173 0.000 2.379 21 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 21 V C 2.280 178.470 176.094 0.159 0.000 1.044 21 V CA 1.489 63.899 62.300 0.183 0.000 1.036 21 V CB -0.381 31.606 31.823 0.273 0.000 0.664 21 V HN 0.313 nan 8.190 nan 0.000 0.453 22 M N -0.022 119.691 119.600 0.189 0.000 2.080 22 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 22 M C 2.369 178.719 176.300 0.083 0.000 1.068 22 M CA 2.351 57.740 55.300 0.148 0.000 1.109 22 M CB -0.574 32.096 32.600 0.116 0.000 1.342 22 M HN 0.435 nan 8.290 nan 0.000 0.405 23 A N -0.055 122.805 122.820 0.066 0.000 1.897 23 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 23 A C 2.316 179.920 177.584 0.034 0.000 1.181 23 A CA 1.698 53.759 52.037 0.041 0.000 0.620 23 A CB -0.793 18.228 19.000 0.034 0.000 0.821 23 A HN 0.503 nan 8.150 nan 0.000 0.443 24 A N -0.556 122.288 122.820 0.039 0.000 1.929 24 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 24 A C 1.912 179.495 177.584 -0.002 0.000 1.176 24 A CA 1.288 53.339 52.037 0.023 0.000 0.628 24 A CB -0.361 18.659 19.000 0.033 0.000 0.816 24 A HN 0.431 nan 8.150 nan 0.000 0.444 25 L N -1.037 120.177 121.223 -0.014 0.000 2.607 25 L HA 0.128 4.468 4.340 -0.000 0.000 0.228 25 L C -0.253 176.602 176.870 -0.025 0.000 1.123 25 L CA 0.105 54.900 54.840 -0.075 0.000 0.890 25 L CB -0.398 41.528 42.059 -0.222 0.000 1.103 25 L HN 0.433 nan 8.230 nan 0.000 0.468 26 E N 0.998 121.206 120.200 0.014 0.000 2.246 26 E HA -0.169 4.181 4.350 -0.000 0.000 0.211 26 E C -0.600 176.030 176.600 0.051 0.000 1.278 26 E CA 0.349 56.766 56.400 0.028 0.000 0.694 26 E CB -1.349 28.361 29.700 0.016 0.000 1.166 26 E HN 0.371 nan 8.360 nan 0.000 0.370 27 V N -3.326 116.639 119.914 0.085 0.000 3.159 27 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 27 V C 0.812 176.980 176.094 0.124 0.000 1.190 27 V CA -0.420 61.955 62.300 0.125 0.000 1.037 27 V CB 2.001 33.961 31.823 0.228 0.000 1.060 27 V HN 0.208 nan 8.190 nan 0.000 0.437 28 G N 0.476 109.346 108.800 0.116 0.000 2.611 28 G HA2 0.483 4.443 3.960 -0.000 0.000 0.273 28 G HA3 0.483 4.443 3.960 -0.000 0.000 0.273 28 G C -1.134 173.859 174.900 0.155 0.000 1.305 28 G CA -0.446 44.711 45.100 0.095 0.000 1.010 28 G HN 0.759 nan 8.290 nan 0.000 0.509 29 P HA -0.027 nan 4.420 nan 0.000 0.223 29 P C 0.821 178.389 177.300 0.447 0.000 1.151 29 P CA 1.085 64.342 63.100 0.261 0.000 0.787 29 P CB 0.437 32.099 31.700 -0.064 0.000 0.788 30 E N 0.937 121.305 120.200 0.279 0.000 2.028 30 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 30 E C 2.427 179.143 176.600 0.194 0.000 0.984 30 E CA 1.529 58.098 56.400 0.283 0.000 0.800 30 E CB -1.280 28.590 29.700 0.283 0.000 0.758 30 E HN 0.157 nan 8.360 nan 0.000 0.448 31 A N 1.147 124.055 122.820 0.146 0.000 1.902 31 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 31 A C 2.370 179.955 177.584 0.001 0.000 1.181 31 A CA 1.853 53.876 52.037 -0.023 0.000 0.623 31 A CB -0.921 18.131 19.000 0.086 0.000 0.818 31 A HN 0.269 nan 8.150 nan 0.000 0.443 32 A N -0.365 122.634 122.820 0.297 0.000 1.940 32 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 32 A C 2.197 179.890 177.584 0.181 0.000 1.176 32 A CA 1.497 53.783 52.037 0.415 0.000 0.631 32 A CB -0.596 18.692 19.000 0.481 0.000 0.814 32 A HN 0.511 nan 8.150 nan 0.000 0.446 33 L N -0.855 120.390 121.223 0.037 0.000 2.012 33 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 33 L C 3.050 179.824 176.870 -0.160 0.000 1.073 33 L CA 1.413 56.068 54.840 -0.307 0.000 0.748 33 L CB -0.476 41.456 42.059 -0.212 0.000 0.891 33 L HN 0.464 nan 8.230 nan 0.000 0.431 34 A N -0.815 121.944 122.820 -0.103 0.000 1.883 34 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 34 A C 1.942 179.485 177.584 -0.068 0.000 1.186 34 A CA 1.703 53.669 52.037 -0.119 0.000 0.624 34 A CB -1.017 17.808 19.000 -0.292 0.000 0.822 34 A HN 0.438 nan 8.150 nan 0.000 0.444 35 Y N -2.052 118.284 120.300 0.060 0.000 2.081 35 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 35 Y C 2.232 178.257 175.900 0.208 0.000 1.163 35 Y CA 1.275 59.440 58.100 0.108 0.000 1.135 35 Y CB -1.118 37.419 38.460 0.129 0.000 0.970 35 Y HN 0.582 nan 8.280 nan 0.000 0.498 36 W N 0.475 121.827 121.300 0.088 0.000 2.321 36 W HA -0.262 4.398 4.660 0.000 0.000 0.306 36 W C 2.478 178.967 176.519 -0.050 0.000 1.217 36 W CA 2.428 59.738 57.345 -0.059 0.000 1.257 36 W CB -0.523 28.753 29.460 -0.307 0.000 1.145 36 W HN 0.135 nan 8.180 nan 0.000 0.509 37 H N -0.317 118.835 119.070 0.135 0.000 2.491 37 H HA 0.033 4.589 4.556 -0.000 0.000 0.290 37 H C 1.959 177.254 175.328 -0.056 0.000 1.050 37 H CA 1.250 57.283 56.048 -0.024 0.000 1.309 37 H CB -0.034 29.750 29.762 0.037 0.000 1.392 37 H HN 0.068 nan 8.280 nan 0.000 0.554 38 R N -0.477 120.140 120.500 0.194 0.000 2.300 38 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 38 R C 1.106 177.518 176.300 0.186 0.000 0.920 38 R CA 0.533 56.798 56.100 0.274 0.000 1.046 38 R CB 0.106 30.709 30.300 0.506 0.000 0.984 38 R HN 0.435 nan 8.270 nan 0.000 0.493 39 G N 1.004 109.822 108.800 0.030 0.000 2.132 39 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.234 39 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.234 39 G C -0.343 174.460 174.900 -0.162 0.000 0.989 39 G CA -0.406 44.587 45.100 -0.178 0.000 0.676 39 G HN 0.198 nan 8.290 nan 0.000 0.522 40 F N 0.774 120.730 119.950 0.010 0.000 2.390 40 F HA 0.624 5.151 4.527 0.000 0.000 0.361 40 F C 1.548 177.370 175.800 0.037 0.000 1.124 40 F CA -0.618 57.408 58.000 0.044 0.000 1.149 40 F CB 1.186 40.272 39.000 0.142 0.000 1.160 40 F HN 0.030 nan 8.300 nan 0.000 0.501 41 R N 1.757 122.311 120.500 0.090 0.000 2.541 41 R HA 0.290 4.630 4.340 -0.000 0.000 0.332 41 R C 0.122 176.455 176.300 0.055 0.000 0.951 41 R CA -0.344 55.814 56.100 0.095 0.000 1.136 41 R CB 0.942 31.281 30.300 0.066 0.000 1.449 41 R HN 0.479 nan 8.270 nan 0.000 0.531 42 R N -0.035 120.479 120.500 0.023 0.000 2.837 42 R HA 0.294 4.634 4.340 -0.000 0.000 0.271 42 R C 0.068 176.371 176.300 0.005 0.000 0.993 42 R CA -0.828 55.277 56.100 0.009 0.000 0.931 42 R CB 1.546 31.843 30.300 -0.005 0.000 1.206 42 R HN -0.220 nan 8.270 nan 0.000 0.474 43 K N 0.968 121.367 120.400 -0.001 0.000 2.362 43 K HA -0.091 4.229 4.320 -0.000 0.000 0.200 43 K C 0.714 177.321 176.600 0.011 0.000 1.046 43 K CA 1.248 57.531 56.287 -0.006 0.000 0.952 43 K CB 0.393 32.890 32.500 -0.005 0.000 0.753 43 K HN 0.392 nan 8.250 nan 0.000 0.466 44 E N 0.062 120.267 120.200 0.008 0.000 2.481 44 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 44 E C 0.381 176.982 176.600 0.000 0.000 1.047 44 E CA 0.686 57.092 56.400 0.009 0.000 0.867 44 E CB 0.201 29.902 29.700 0.002 0.000 0.858 44 E HN 0.406 nan 8.360 nan 0.000 0.513 45 D N 0.001 120.396 120.400 -0.008 0.000 2.346 45 D HA 0.085 4.725 4.640 -0.000 0.000 0.206 45 D C 1.705 178.080 176.300 0.126 0.000 1.001 45 D CA 0.186 54.124 54.000 -0.103 0.000 0.871 45 D CB 0.244 40.855 40.800 -0.315 0.000 0.943 45 D HN 0.075 nan 8.370 nan 0.000 0.518 46 L N -0.202 121.179 121.223 0.262 0.000 2.162 46 L HA 0.098 4.438 4.340 -0.000 0.000 0.205 46 L C 0.613 177.590 176.870 0.179 0.000 1.086 46 L CA 0.871 55.904 54.840 0.322 0.000 0.778 46 L CB 0.367 42.495 42.059 0.116 0.000 0.928 46 L HN -0.069 nan 8.230 nan 0.000 0.446 47 D N 0.642 121.102 120.400 0.099 0.000 2.634 47 D HA 0.217 4.857 4.640 -0.000 0.000 0.318 47 D C -2.240 174.090 176.300 0.049 0.000 1.226 47 D CA -1.225 52.811 54.000 0.060 0.000 0.899 47 D CB 1.137 41.958 40.800 0.036 0.000 1.025 47 D HN 0.040 nan 8.370 nan 0.000 0.501 48 P HA 0.113 nan 4.420 nan 0.000 0.268 48 P C -2.528 174.799 177.300 0.046 0.000 1.208 48 P CA -0.895 62.231 63.100 0.043 0.000 0.777 48 P CB 0.081 31.809 31.700 0.046 0.000 0.875 49 P HA 0.143 nan 4.420 nan 0.000 0.276 49 P C -0.597 176.775 177.300 0.120 0.000 1.230 49 P CA -0.390 62.764 63.100 0.090 0.000 0.776 49 P CB 0.609 32.367 31.700 0.097 0.000 0.888 50 L N 3.450 124.755 121.223 0.138 0.000 2.295 50 L HA 0.563 4.903 4.340 -0.000 0.000 0.288 50 L C -0.344 176.789 176.870 0.438 0.000 1.079 50 L CA -0.147 54.810 54.840 0.195 0.000 0.830 50 L CB -0.421 41.731 42.059 0.156 0.000 1.200 50 L HN 0.533 nan 8.230 nan 0.000 0.438 51 A N 4.489 127.567 122.820 0.430 0.000 2.435 51 A HA 0.675 4.995 4.320 -0.000 0.000 0.296 51 A C -1.272 176.196 177.584 -0.194 0.000 1.147 51 A CA -0.797 51.350 52.037 0.183 0.000 0.775 51 A CB 1.086 20.154 19.000 0.113 0.000 1.340 51 A HN 0.664 nan 8.150 nan 0.000 0.427 52 L N 1.441 122.195 121.223 -0.781 0.000 2.363 52 L HA 0.369 4.709 4.340 -0.000 0.000 0.286 52 L C -0.484 176.086 176.870 -0.501 0.000 1.106 52 L CA 0.112 54.352 54.840 -1.000 0.000 0.859 52 L CB -0.740 40.571 42.059 -1.247 0.000 1.223 52 L HN 0.542 nan 8.230 nan 0.000 0.446 53 L N 8.054 128.979 121.223 -0.498 0.000 2.499 53 L HA 0.212 4.552 4.340 -0.000 0.000 0.273 53 L C -1.395 175.277 176.870 -0.330 0.000 1.195 53 L CA -1.264 53.319 54.840 -0.429 0.000 0.882 53 L CB 0.497 42.165 42.059 -0.652 0.000 1.133 53 L HN 0.580 nan 8.230 nan 0.000 0.483 54 P HA 0.115 nan 4.420 nan 0.000 0.226 54 P C -0.411 176.801 177.300 -0.146 0.000 1.783 54 P CA -0.101 62.897 63.100 -0.170 0.000 0.980 54 P CB -0.201 31.425 31.700 -0.123 0.000 1.967 55 L N 0.755 121.876 121.223 -0.170 0.000 2.439 55 L HA 0.210 4.550 4.340 -0.000 0.000 0.269 55 L C 1.314 178.131 176.870 -0.088 0.000 1.179 55 L CA -0.281 54.483 54.840 -0.127 0.000 0.828 55 L CB 0.316 42.288 42.059 -0.145 0.000 1.106 55 L HN 0.071 nan 8.230 nan 0.000 0.467 56 K N 1.526 121.892 120.400 -0.056 0.000 2.416 56 K HA 0.138 4.458 4.320 -0.000 0.000 0.283 56 K C 0.890 177.469 176.600 -0.035 0.000 1.037 56 K CA 0.998 57.261 56.287 -0.040 0.000 0.995 56 K CB 0.616 33.102 32.500 -0.024 0.000 0.938 56 K HN 0.868 nan 8.250 nan 0.000 0.475 57 G N 3.246 112.024 108.800 -0.037 0.000 2.217 57 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 57 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 57 G C 0.693 175.566 174.900 -0.045 0.000 0.990 57 G CA 0.277 45.357 45.100 -0.033 0.000 0.627 57 G HN 0.581 nan 8.290 nan 0.000 0.522 58 L N 1.124 122.310 121.223 -0.062 0.000 2.017 58 L HA 0.151 4.491 4.340 -0.000 0.000 0.208 58 L C 2.911 179.743 176.870 -0.064 0.000 1.073 58 L CA 2.948 57.742 54.840 -0.076 0.000 0.745 58 L CB -0.530 41.463 42.059 -0.110 0.000 0.894 58 L HN 0.445 nan 8.230 nan 0.000 0.432 59 R N -0.711 119.753 120.500 -0.060 0.000 2.081 59 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 59 R C 2.222 178.501 176.300 -0.034 0.000 1.131 59 R CA 1.634 57.706 56.100 -0.046 0.000 0.960 59 R CB -0.566 29.708 30.300 -0.043 0.000 0.856 59 R HN 0.534 nan 8.270 nan 0.000 0.436 60 E N 0.937 121.118 120.200 -0.032 0.000 2.051 60 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 60 E C 2.026 178.611 176.600 -0.025 0.000 0.991 60 E CA 1.126 57.511 56.400 -0.025 0.000 0.799 60 E CB -0.036 29.650 29.700 -0.023 0.000 0.748 60 E HN 0.357 nan 8.360 nan 0.000 0.449 61 A N 1.108 123.909 122.820 -0.031 0.000 1.933 61 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 61 A C 2.347 179.913 177.584 -0.031 0.000 1.175 61 A CA 1.804 53.822 52.037 -0.033 0.000 0.628 61 A CB -0.666 18.308 19.000 -0.042 0.000 0.814 61 A HN 0.413 nan 8.150 nan 0.000 0.444 62 A N -0.319 122.483 122.820 -0.031 0.000 1.969 62 A HA 0.249 4.569 4.320 -0.000 0.000 0.218 62 A C 2.453 180.029 177.584 -0.014 0.000 1.169 62 A CA 1.761 53.785 52.037 -0.022 0.000 0.635 62 A CB -0.847 18.142 19.000 -0.018 0.000 0.810 62 A HN 0.980 nan 8.150 nan 0.000 0.445 63 A N -0.516 122.295 122.820 -0.015 0.000 1.902 63 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 63 A C 2.082 179.660 177.584 -0.010 0.000 1.181 63 A CA 1.671 53.701 52.037 -0.011 0.000 0.623 63 A CB -0.564 18.429 19.000 -0.012 0.000 0.818 63 A HN 0.522 nan 8.150 nan 0.000 0.443 64 L N -0.315 120.900 121.223 -0.013 0.000 2.083 64 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 64 L C 2.314 179.177 176.870 -0.011 0.000 1.083 64 L CA 1.478 56.312 54.840 -0.011 0.000 0.752 64 L CB -0.462 41.589 42.059 -0.013 0.000 0.899 64 L HN 0.407 nan 8.230 nan 0.000 0.433 65 L N -0.844 120.369 121.223 -0.016 0.000 2.083 65 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 65 L C 2.522 179.386 176.870 -0.009 0.000 1.083 65 L CA 1.564 56.395 54.840 -0.016 0.000 0.752 65 L CB -0.508 41.538 42.059 -0.023 0.000 0.899 65 L HN 0.414 nan 8.230 nan 0.000 0.433 66 E N 0.101 120.298 120.200 -0.006 0.000 2.058 66 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 66 E C 2.035 178.633 176.600 -0.003 0.000 0.997 66 E CA 1.258 57.656 56.400 -0.003 0.000 0.801 66 E CB 0.145 29.843 29.700 -0.002 0.000 0.746 66 E HN 0.335 nan 8.360 nan 0.000 0.450 67 E N 0.412 120.610 120.200 -0.004 0.000 2.058 67 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 67 E C 2.016 178.615 176.600 -0.000 0.000 0.997 67 E CA 1.208 57.607 56.400 -0.002 0.000 0.801 67 E CB -0.532 29.167 29.700 -0.002 0.000 0.746 67 E HN 0.418 nan 8.360 nan 0.000 0.450 68 A N 0.989 123.808 122.820 -0.001 0.000 1.908 68 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 68 A C 2.384 179.970 177.584 0.004 0.000 1.181 68 A CA 1.384 53.422 52.037 0.002 0.000 0.627 68 A CB -0.749 18.250 19.000 -0.001 0.000 0.818 68 A HN 0.235 nan 8.150 nan 0.000 0.445 69 L N -1.028 120.195 121.223 0.000 0.000 2.027 69 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 69 L C 2.731 179.603 176.870 0.003 0.000 1.074 69 L CA 1.921 56.762 54.840 0.002 0.000 0.745 69 L CB -0.271 41.788 42.059 -0.001 0.000 0.898 69 L HN 0.456 nan 8.230 nan 0.000 0.433 70 R N -0.690 119.811 120.500 0.001 0.000 2.092 70 R HA -0.157 4.183 4.340 -0.000 0.000 0.231 70 R C 1.881 178.183 176.300 0.003 0.000 1.119 70 R CA 1.491 57.592 56.100 0.001 0.000 0.970 70 R CB -0.019 30.280 30.300 -0.001 0.000 0.864 70 R HN 0.507 nan 8.270 nan 0.000 0.440 71 Q N -0.916 118.886 119.800 0.004 0.000 2.360 71 Q HA 0.143 4.483 4.340 -0.000 0.000 0.202 71 Q C 0.513 176.519 176.000 0.009 0.000 0.915 71 Q CA 0.406 56.212 55.803 0.006 0.000 0.943 71 Q CB 1.012 29.753 28.738 0.005 0.000 1.064 71 Q HN 0.573 nan 8.270 nan 0.000 0.511 72 G N 2.133 110.940 108.800 0.011 0.000 2.249 72 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 72 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 72 G C -0.111 174.801 174.900 0.021 0.000 1.036 72 G CA 0.060 45.169 45.100 0.016 0.000 0.824 72 G HN 0.037 nan 8.290 nan 0.000 0.504 73 K N -0.408 120.004 120.400 0.020 0.000 2.258 73 K HA 0.264 4.584 4.320 -0.000 0.000 0.264 73 K C 0.817 177.439 176.600 0.038 0.000 1.007 73 K CA -0.628 55.674 56.287 0.026 0.000 0.941 73 K CB 0.729 33.241 32.500 0.020 0.000 0.966 73 K HN 0.437 nan 8.250 nan 0.000 0.480 74 R N 2.288 122.821 120.500 0.054 0.000 2.267 74 R HA 0.237 4.577 4.340 -0.000 0.000 0.319 74 R C -0.370 175.979 176.300 0.082 0.000 1.067 74 R CA -0.074 56.078 56.100 0.088 0.000 0.936 74 R CB 0.071 30.440 30.300 0.115 0.000 1.006 74 R HN 0.492 nan 8.270 nan 0.000 0.452 75 I N 4.734 125.333 120.570 0.049 0.000 2.321 75 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 75 I C 0.176 176.177 176.117 -0.193 0.000 0.998 75 I CA -0.609 60.672 61.300 -0.032 0.000 1.227 75 I CB 1.548 39.517 38.000 -0.051 0.000 1.368 75 I HN 0.509 nan 8.210 nan 0.000 0.466 76 R N 6.150 126.518 120.500 -0.221 0.000 2.343 76 R HA 0.597 4.937 4.340 -0.000 0.000 0.320 76 R C -1.629 174.443 176.300 -0.381 0.000 0.956 76 R CA -0.508 55.298 56.100 -0.489 0.000 0.836 76 R CB 1.526 31.764 30.300 -0.103 0.000 1.151 76 R HN 0.446 nan 8.270 nan 0.000 0.450 77 V N 4.966 124.664 119.914 -0.360 0.000 2.333 77 V HA 0.159 4.279 4.120 -0.000 0.000 0.274 77 V C -0.482 175.488 176.094 -0.207 0.000 1.028 77 V CA -0.610 61.523 62.300 -0.279 0.000 0.851 77 V CB 0.841 32.542 31.823 -0.204 0.000 1.000 77 V HN 0.745 nan 8.190 nan 0.000 0.456 78 H N 3.883 122.697 119.070 -0.427 0.000 2.685 78 H HA 0.657 5.213 4.556 -0.000 0.000 0.286 78 H C 0.312 175.505 175.328 -0.224 0.000 1.102 78 H CA 0.158 56.032 56.048 -0.289 0.000 1.254 78 H CB 0.787 30.188 29.762 -0.601 0.000 1.397 78 H HN 0.766 nan 8.280 nan 0.000 0.473 79 G N 3.269 111.905 108.800 -0.274 0.000 2.667 79 G HA2 0.183 4.143 3.960 -0.000 0.000 0.310 79 G HA3 0.183 4.143 3.960 -0.000 0.000 0.310 79 G C -0.803 173.922 174.900 -0.292 0.000 1.259 79 G CA -0.714 44.255 45.100 -0.218 0.000 1.019 79 G HN 0.627 nan 8.290 nan 0.000 0.496 80 D N -1.749 118.500 120.400 -0.251 0.000 2.411 80 D HA 0.217 4.857 4.640 -0.000 0.000 0.251 80 D C 0.777 176.888 176.300 -0.315 0.000 1.201 80 D CA -0.432 53.333 54.000 -0.392 0.000 0.996 80 D CB 0.834 41.426 40.800 -0.347 0.000 1.101 80 D HN 0.291 nan 8.370 nan 0.000 0.504 81 Y N -1.332 118.930 120.300 -0.063 0.000 2.457 81 Y HA 0.238 4.788 4.550 -0.000 0.000 0.263 81 Y C 0.193 176.071 175.900 -0.037 0.000 1.164 81 Y CA -0.835 57.226 58.100 -0.065 0.000 1.274 81 Y CB -1.060 37.360 38.460 -0.067 0.000 1.097 81 Y HN 0.089 nan 8.280 nan 0.000 0.523 82 D N 0.496 121.004 120.400 0.179 0.000 2.451 82 D HA 0.355 4.995 4.640 -0.000 0.000 0.259 82 D C 1.594 177.926 176.300 0.053 0.000 1.201 82 D CA -0.040 54.049 54.000 0.148 0.000 1.028 82 D CB 0.735 41.620 40.800 0.142 0.000 1.095 82 D HN 0.110 nan 8.370 nan 0.000 0.539 83 A N 0.037 122.876 122.820 0.032 0.000 1.903 83 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 83 A C 1.815 179.392 177.584 -0.011 0.000 1.191 83 A CA 2.547 54.584 52.037 -0.001 0.000 0.638 83 A CB -1.169 17.822 19.000 -0.014 0.000 0.823 83 A HN 0.745 nan 8.150 nan 0.000 0.451 84 D N -1.044 119.357 120.400 0.001 0.000 2.104 84 D HA -0.047 4.593 4.640 -0.000 0.000 0.194 84 D C 2.043 178.334 176.300 -0.015 0.000 0.994 84 D CA 1.833 55.831 54.000 -0.004 0.000 0.830 84 D CB -0.549 40.271 40.800 0.034 0.000 0.959 84 D HN 0.316 nan 8.370 nan 0.000 0.452 85 G N 0.277 109.067 108.800 -0.018 0.000 2.421 85 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 85 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 85 G C 1.786 176.642 174.900 -0.073 0.000 1.171 85 G CA 0.732 45.793 45.100 -0.065 0.000 0.775 85 G HN 0.337 nan 8.290 nan 0.000 0.543 86 L N 1.081 122.272 121.223 -0.054 0.000 2.027 86 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 86 L C 3.372 180.202 176.870 -0.068 0.000 1.074 86 L CA 1.811 56.615 54.840 -0.059 0.000 0.745 86 L CB -1.144 40.892 42.059 -0.039 0.000 0.898 86 L HN 0.432 nan 8.230 nan 0.000 0.433 87 T N -2.813 111.707 114.554 -0.057 0.000 2.821 87 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 87 T C 1.953 176.618 174.700 -0.059 0.000 1.046 87 T CA 1.015 63.078 62.100 -0.063 0.000 1.139 87 T CB -0.912 67.927 68.868 -0.047 0.000 0.871 87 T HN 0.381 nan 8.240 nan 0.000 0.454 88 G N 1.533 110.303 108.800 -0.050 0.000 2.418 88 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 88 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 88 G C 1.862 176.717 174.900 -0.076 0.000 1.158 88 G CA 1.641 46.713 45.100 -0.046 0.000 0.771 88 G HN 0.667 nan 8.290 nan 0.000 0.545 89 T N -0.613 113.885 114.554 -0.093 0.000 2.951 89 T HA 0.280 4.630 4.350 -0.000 0.000 0.268 89 T C 2.508 177.140 174.700 -0.114 0.000 1.073 89 T CA 1.651 63.684 62.100 -0.111 0.000 1.134 89 T CB -0.231 68.564 68.868 -0.122 0.000 0.884 89 T HN 0.304 nan 8.240 nan 0.000 0.479 90 A N 1.236 123.986 122.820 -0.117 0.000 1.930 90 A HA 0.183 4.503 4.320 -0.000 0.000 0.217 90 A C 2.349 179.834 177.584 -0.165 0.000 1.175 90 A CA 1.183 53.130 52.037 -0.150 0.000 0.627 90 A CB -0.723 18.169 19.000 -0.180 0.000 0.815 90 A HN 0.610 nan 8.150 nan 0.000 0.443 91 I N -0.409 120.088 120.570 -0.121 0.000 2.142 91 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 91 I C 2.414 178.412 176.117 -0.199 0.000 1.078 91 I CA 1.300 62.545 61.300 -0.091 0.000 1.343 91 I CB -0.303 37.691 38.000 -0.010 0.000 1.046 91 I HN 0.296 nan 8.210 nan 0.000 0.405 92 L N -0.358 120.769 121.223 -0.160 0.000 2.056 92 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 92 L C 2.559 179.348 176.870 -0.135 0.000 1.078 92 L CA 0.851 55.593 54.840 -0.164 0.000 0.749 92 L CB -0.510 41.466 42.059 -0.138 0.000 0.901 92 L HN 0.074 nan 8.230 nan 0.000 0.433 93 V N -0.071 119.772 119.914 -0.117 0.000 2.261 93 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 93 V C 2.652 178.710 176.094 -0.060 0.000 1.047 93 V CA 1.816 64.065 62.300 -0.086 0.000 1.015 93 V CB -0.535 31.241 31.823 -0.078 0.000 0.642 93 V HN 0.392 nan 8.190 nan 0.000 0.446 94 R N -0.193 120.265 120.500 -0.070 0.000 2.073 94 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 94 R C 2.463 178.806 176.300 0.072 0.000 1.134 94 R CA 1.466 57.563 56.100 -0.006 0.000 0.952 94 R CB -0.917 29.332 30.300 -0.086 0.000 0.850 94 R HN 0.605 nan 8.270 nan 0.000 0.433 95 G N 1.200 109.967 108.800 -0.054 0.000 2.459 95 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 95 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 95 G C 1.422 176.304 174.900 -0.029 0.000 1.183 95 G CA 0.686 45.684 45.100 -0.169 0.000 0.776 95 G HN 0.139 nan 8.290 nan 0.000 0.552 96 L N 0.697 121.887 121.223 -0.055 0.000 2.046 96 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 96 L C 3.413 180.289 176.870 0.011 0.000 1.077 96 L CA 0.981 55.809 54.840 -0.022 0.000 0.747 96 L CB -0.420 41.613 42.059 -0.044 0.000 0.896 96 L HN 0.310 nan 8.230 nan 0.000 0.432 97 A N 0.069 122.900 122.820 0.018 0.000 1.972 97 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 97 A C 2.492 180.110 177.584 0.057 0.000 1.169 97 A CA 1.586 53.645 52.037 0.037 0.000 0.635 97 A CB -0.612 18.411 19.000 0.038 0.000 0.810 97 A HN 0.397 nan 8.150 nan 0.000 0.446 98 A N -0.516 122.357 122.820 0.088 0.000 2.067 98 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 98 A C 1.766 179.393 177.584 0.071 0.000 1.158 98 A CA 1.113 53.216 52.037 0.110 0.000 0.661 98 A CB -0.435 18.681 19.000 0.194 0.000 0.801 98 A HN 0.469 nan 8.150 nan 0.000 0.452 99 L N -1.142 120.112 121.223 0.051 0.000 2.629 99 L HA 0.268 4.608 4.340 -0.000 0.000 0.230 99 L C 1.417 178.296 176.870 0.015 0.000 1.151 99 L CA 0.428 55.280 54.840 0.019 0.000 0.924 99 L CB -0.177 41.886 42.059 0.007 0.000 1.137 99 L HN 0.511 nan 8.230 nan 0.000 0.457 100 G N 0.368 109.182 108.800 0.024 0.000 2.137 100 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.237 100 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.237 100 G C 0.294 175.206 174.900 0.019 0.000 1.002 100 G CA 0.025 45.138 45.100 0.021 0.000 0.702 100 G HN 0.494 nan 8.290 nan 0.000 0.515 101 A N -0.308 122.524 122.820 0.019 0.000 2.322 101 A HA 0.618 4.938 4.320 -0.000 0.000 0.269 101 A C 0.236 177.837 177.584 0.027 0.000 1.094 101 A CA 0.390 52.437 52.037 0.017 0.000 0.807 101 A CB 0.663 19.667 19.000 0.006 0.000 1.047 101 A HN 0.621 nan 8.150 nan 0.000 0.487 102 D N 0.895 121.316 120.400 0.035 0.000 2.441 102 D HA 0.397 5.037 4.640 -0.000 0.000 0.221 102 D C -0.902 175.442 176.300 0.073 0.000 1.156 102 D CA 0.219 54.252 54.000 0.056 0.000 0.896 102 D CB 0.679 41.514 40.800 0.058 0.000 1.028 102 D HN 0.320 nan 8.370 nan 0.000 0.509 103 V N 4.866 124.824 119.914 0.073 0.000 2.925 103 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 103 V C -1.567 174.584 176.094 0.095 0.000 1.104 103 V CA -0.557 61.767 62.300 0.041 0.000 0.954 103 V CB 2.084 33.892 31.823 -0.024 0.000 1.022 103 V HN 0.841 nan 8.190 nan 0.000 0.427 104 H N 4.586 123.668 119.070 0.020 0.000 3.037 104 H HA 0.846 5.402 4.556 -0.000 0.000 0.355 104 H C -3.223 172.126 175.328 0.035 0.000 1.263 104 H CA -2.025 54.041 56.048 0.030 0.000 1.129 104 H CB 2.210 32.004 29.762 0.053 0.000 1.861 104 H HN 0.490 nan 8.280 nan 0.000 0.546 105 P HA 0.296 nan 4.420 nan 0.000 0.285 105 P C -1.362 176.052 177.300 0.191 0.000 1.280 105 P CA -0.590 62.517 63.100 0.012 0.000 0.862 105 P CB 1.749 33.439 31.700 -0.018 0.000 1.153 106 F N 1.940 121.880 119.950 -0.016 0.000 2.671 106 F HA 0.410 4.937 4.527 -0.000 0.000 0.332 106 F C -1.348 174.407 175.800 -0.076 0.000 1.189 106 F CA -1.004 57.032 58.000 0.061 0.000 0.988 106 F CB 0.752 39.862 39.000 0.184 0.000 1.258 106 F HN 0.072 nan 8.300 nan 0.000 0.471 107 I N 7.622 127.754 120.570 -0.730 0.000 2.385 107 I HA 0.444 4.614 4.170 -0.000 0.000 0.294 107 I C -2.090 173.650 176.117 -0.628 0.000 0.988 107 I CA -2.341 58.628 61.300 -0.551 0.000 1.265 107 I CB 1.555 39.389 38.000 -0.278 0.000 1.388 107 I HN 0.522 nan 8.210 nan 0.000 0.480 120 E N 0.861 121.037 120.200 -0.041 0.000 2.418 120 E HA -0.029 4.321 4.350 -0.000 0.000 0.197 120 E C 1.417 177.949 176.600 -0.114 0.000 1.026 120 E CA 0.903 57.270 56.400 -0.054 0.000 0.862 120 E CB 0.238 29.928 29.700 -0.017 0.000 0.799 120 E HN 0.268 nan 8.360 nan 0.000 0.518 121 R N -0.802 119.586 120.500 -0.187 0.000 2.223 121 R HA 0.045 4.385 4.340 -0.000 0.000 0.198 121 R C 2.169 178.032 176.300 -0.729 0.000 0.984 121 R CA 0.191 56.027 56.100 -0.439 0.000 1.018 121 R CB 0.050 30.063 30.300 -0.478 0.000 0.945 121 R HN -0.047 nan 8.270 nan 0.000 0.479 122 V N 1.573 121.220 119.914 -0.446 0.000 2.380 122 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 122 V C -0.975 174.970 176.094 -0.247 0.000 1.063 122 V CA 2.001 64.111 62.300 -0.317 0.000 1.055 122 V CB -1.056 30.657 31.823 -0.183 0.000 0.657 122 V HN 0.247 nan 8.190 nan 0.000 0.455 123 P HA -0.206 nan 4.420 nan 0.000 0.215 123 P C 1.692 178.916 177.300 -0.127 0.000 1.157 123 P CA 1.903 64.921 63.100 -0.135 0.000 0.874 123 P CB -0.091 31.545 31.700 -0.106 0.000 0.790 124 E N -1.639 118.463 120.200 -0.164 0.000 2.299 124 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 124 E C 1.633 178.195 176.600 -0.063 0.000 0.998 124 E CA 0.736 57.072 56.400 -0.106 0.000 0.851 124 E CB -1.031 28.614 29.700 -0.091 0.000 0.795 124 E HN 0.431 nan 8.360 nan 0.000 0.492 125 H N 0.426 119.358 119.070 -0.230 0.000 2.423 125 H HA -0.032 4.524 4.556 -0.000 0.000 0.297 125 H C 2.200 177.397 175.328 -0.218 0.000 1.075 125 H CA 0.756 56.634 56.048 -0.282 0.000 1.342 125 H CB 0.268 29.706 29.762 -0.539 0.000 1.395 125 H HN 0.147 nan 8.280 nan 0.000 0.530 126 L N 1.353 122.531 121.223 -0.074 0.000 2.023 126 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 126 L C 2.256 179.108 176.870 -0.030 0.000 1.073 126 L CA 1.853 56.647 54.840 -0.078 0.000 0.745 126 L CB -0.661 41.345 42.059 -0.089 0.000 0.900 126 L HN 0.241 nan 8.230 nan 0.000 0.435 127 E N 0.663 120.848 120.200 -0.025 0.000 2.160 127 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 127 E C 1.678 178.287 176.600 0.015 0.000 0.991 127 E CA 1.809 58.204 56.400 -0.009 0.000 0.810 127 E CB -0.178 29.512 29.700 -0.017 0.000 0.742 127 E HN 0.504 nan 8.360 nan 0.000 0.466 128 A N -0.337 122.508 122.820 0.043 0.000 2.267 128 A HA 0.311 4.631 4.320 -0.000 0.000 0.213 128 A C 0.612 178.289 177.584 0.155 0.000 1.192 128 A CA 0.453 52.537 52.037 0.078 0.000 0.851 128 A CB -0.031 19.025 19.000 0.092 0.000 0.881 128 A HN 0.284 nan 8.150 nan 0.000 0.494 129 S N -1.942 113.833 115.700 0.125 0.000 2.579 129 S HA 0.522 4.992 4.470 -0.000 0.000 0.272 129 S C -0.646 174.001 174.600 0.077 0.000 1.141 129 S CA -0.521 57.763 58.200 0.141 0.000 0.843 129 S CB 1.432 64.756 63.200 0.207 0.000 1.122 129 S HN 0.051 nan 8.310 nan 0.000 0.468 130 D N -0.201 120.243 120.400 0.074 0.000 2.394 130 D HA 0.221 4.861 4.640 -0.000 0.000 0.226 130 D C -0.075 176.254 176.300 0.048 0.000 0.990 130 D CA 0.540 54.566 54.000 0.045 0.000 0.902 130 D CB 0.305 41.127 40.800 0.036 0.000 1.038 130 D HN 0.361 nan 8.370 nan 0.000 0.499 131 L N 0.424 121.685 121.223 0.063 0.000 2.385 131 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 131 L C -1.719 175.220 176.870 0.114 0.000 0.990 131 L CA -0.837 54.041 54.840 0.063 0.000 0.821 131 L CB 2.063 44.135 42.059 0.022 0.000 1.279 131 L HN -0.270 nan 8.230 nan 0.000 0.412 132 F N 5.747 125.650 119.950 -0.080 0.000 2.426 132 F HA 0.631 5.158 4.527 0.000 0.000 0.348 132 F C -1.320 174.416 175.800 -0.106 0.000 1.124 132 F CA -0.599 57.331 58.000 -0.116 0.000 1.008 132 F CB 1.199 40.114 39.000 -0.142 0.000 1.139 132 F HN 0.356 nan 8.300 nan 0.000 0.452 133 L N 5.878 126.827 121.223 -0.457 0.000 2.316 133 L HA 0.414 4.754 4.340 -0.000 0.000 0.280 133 L C -0.247 176.344 176.870 -0.466 0.000 1.006 133 L CA -0.618 54.012 54.840 -0.350 0.000 0.836 133 L CB 1.841 43.763 42.059 -0.229 0.000 1.221 133 L HN 0.699 nan 8.230 nan 0.000 0.418 134 T N 0.833 115.177 114.554 -0.350 0.000 2.837 134 T HA 0.654 5.004 4.350 -0.000 0.000 0.285 134 T C -0.271 174.344 174.700 -0.140 0.000 0.984 134 T CA -0.697 61.261 62.100 -0.238 0.000 1.049 134 T CB 1.723 70.498 68.868 -0.155 0.000 0.947 134 T HN 0.151 nan 8.240 nan 0.000 0.472 135 V N 3.224 123.072 119.914 -0.110 0.000 2.495 135 V HA 0.413 4.533 4.120 -0.000 0.000 0.298 135 V C 0.488 176.527 176.094 -0.092 0.000 1.031 135 V CA -0.397 61.843 62.300 -0.100 0.000 0.871 135 V CB 1.141 32.899 31.823 -0.108 0.000 0.988 135 V HN 1.168 nan 8.190 nan 0.000 0.432 136 D N 2.220 122.582 120.400 -0.063 0.000 2.911 136 D HA -0.190 4.450 4.640 -0.000 0.000 0.227 136 D C -0.344 175.811 176.300 -0.242 0.000 1.164 136 D CA 1.464 55.441 54.000 -0.038 0.000 0.782 136 D CB -0.842 39.961 40.800 0.005 0.000 1.094 136 D HN 1.156 nan 8.370 nan 0.000 0.425 137 C N -5.190 113.994 119.300 -0.194 0.000 3.233 137 C HA 0.779 5.239 4.460 -0.000 0.000 0.358 137 C C 1.699 176.629 174.990 -0.100 0.000 1.461 137 C CA 0.210 59.095 59.018 -0.221 0.000 1.180 137 C CB 1.455 29.095 27.740 -0.168 0.000 1.604 137 C HN 1.230 nan 8.230 nan 0.000 0.437 138 G N 0.253 109.008 108.800 -0.075 0.000 2.176 138 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.253 138 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.253 138 G C 0.289 175.147 174.900 -0.070 0.000 0.979 138 G CA 0.741 45.808 45.100 -0.055 0.000 0.641 138 G HN 1.784 nan 8.290 nan 0.000 0.530 139 I N 1.369 121.911 120.570 -0.045 0.000 2.394 139 I HA 0.120 4.290 4.170 -0.000 0.000 0.251 139 I C 2.481 178.532 176.117 -0.109 0.000 1.136 139 I CA 2.782 64.066 61.300 -0.026 0.000 1.425 139 I CB 0.024 38.079 38.000 0.092 0.000 1.079 139 I HN 0.425 nan 8.210 nan 0.000 0.425 140 T N -2.160 112.351 114.554 -0.071 0.000 3.145 140 T HA 0.175 4.525 4.350 -0.000 0.000 0.255 140 T C 0.570 175.249 174.700 -0.034 0.000 1.039 140 T CA -0.306 61.775 62.100 -0.032 0.000 0.928 140 T CB -1.135 67.764 68.868 0.051 0.000 1.029 140 T HN 0.348 nan 8.240 nan 0.000 0.554 141 N N 1.811 120.440 118.700 -0.118 0.000 3.324 141 N HA 0.169 4.909 4.740 -0.000 0.000 0.302 141 N C 0.820 176.276 175.510 -0.089 0.000 1.360 141 N CA -0.463 52.555 53.050 -0.054 0.000 1.190 141 N CB 0.274 38.746 38.487 -0.026 0.000 1.462 141 N HN 0.412 nan 8.380 nan 0.000 0.532 142 H N 1.263 120.331 119.070 -0.003 0.000 2.253 142 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 142 H C 2.145 177.464 175.328 -0.014 0.000 1.067 142 H CA 1.662 57.705 56.048 -0.008 0.000 1.245 142 H CB -0.184 29.572 29.762 -0.009 0.000 1.364 142 H HN 0.484 nan 8.280 nan 0.000 0.494 143 A N 1.478 124.378 122.820 0.132 0.000 2.009 143 A HA -0.239 4.081 4.320 -0.000 0.000 0.222 143 A C 1.907 179.499 177.584 0.013 0.000 1.175 143 A CA 1.907 53.977 52.037 0.055 0.000 0.651 143 A CB -0.623 18.401 19.000 0.040 0.000 0.815 143 A HN 0.554 nan 8.150 nan 0.000 0.459 144 E N -0.008 120.192 120.200 -0.001 0.000 2.382 144 E HA 0.046 4.396 4.350 -0.000 0.000 0.190 144 E C 1.281 177.843 176.600 -0.062 0.000 1.125 144 E CA 0.252 56.626 56.400 -0.044 0.000 0.929 144 E CB -0.423 29.246 29.700 -0.052 0.000 1.053 144 E HN 0.880 nan 8.360 nan 0.000 0.475 145 L N -2.016 119.188 121.223 -0.031 0.000 2.622 145 L HA 0.071 4.411 4.340 -0.000 0.000 0.233 145 L C 1.935 178.777 176.870 -0.046 0.000 1.156 145 L CA 0.187 55.008 54.840 -0.032 0.000 0.866 145 L CB -0.067 41.992 42.059 -0.000 0.000 0.980 145 L HN -0.033 nan 8.230 nan 0.000 0.448 146 R N 1.909 122.374 120.500 -0.059 0.000 2.094 146 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 146 R C 2.156 178.405 176.300 -0.084 0.000 1.137 146 R CA 2.339 58.400 56.100 -0.066 0.000 0.943 146 R CB -0.501 29.755 30.300 -0.073 0.000 0.850 146 R HN 0.773 nan 8.270 nan 0.000 0.433 147 E N 0.630 120.754 120.200 -0.127 0.000 2.204 147 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 147 E C 2.037 178.581 176.600 -0.094 0.000 0.990 147 E CA 0.630 56.946 56.400 -0.140 0.000 0.821 147 E CB -0.334 29.216 29.700 -0.249 0.000 0.750 147 E HN 0.149 nan 8.360 nan 0.000 0.477 148 L N 1.136 122.313 121.223 -0.076 0.000 2.056 148 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 148 L C 2.157 179.005 176.870 -0.036 0.000 1.078 148 L CA 1.432 56.245 54.840 -0.045 0.000 0.749 148 L CB -0.498 41.541 42.059 -0.032 0.000 0.901 148 L HN 0.322 nan 8.230 nan 0.000 0.433 149 L N -0.956 120.244 121.223 -0.038 0.000 2.327 149 L HA -0.071 4.269 4.340 -0.000 0.000 0.192 149 L C 2.369 179.219 176.870 -0.033 0.000 1.158 149 L CA 0.940 55.762 54.840 -0.030 0.000 0.813 149 L CB -0.378 41.667 42.059 -0.024 0.000 1.021 149 L HN 0.095 nan 8.230 nan 0.000 0.481 150 E N 0.832 121.009 120.200 -0.040 0.000 2.208 150 E HA -0.307 4.043 4.350 -0.000 0.000 0.202 150 E C 0.792 177.368 176.600 -0.040 0.000 1.014 150 E CA 1.691 58.066 56.400 -0.040 0.000 0.819 150 E CB 0.004 29.675 29.700 -0.049 0.000 0.735 150 E HN 0.506 nan 8.360 nan 0.000 0.469 151 N N -1.299 117.374 118.700 -0.045 0.000 2.581 151 N HA 0.069 4.809 4.740 -0.000 0.000 0.274 151 N C -0.624 174.864 175.510 -0.036 0.000 1.629 151 N CA 0.610 53.637 53.050 -0.040 0.000 0.884 151 N CB 0.221 38.681 38.487 -0.045 0.000 1.423 151 N HN 0.210 nan 8.380 nan 0.000 0.507 152 G N 1.191 109.972 108.800 -0.032 0.000 2.332 152 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.277 152 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.277 152 G C -0.100 174.786 174.900 -0.023 0.000 0.884 152 G CA 0.695 45.780 45.100 -0.025 0.000 1.251 152 G HN 0.206 nan 8.290 nan 0.000 0.462 153 V N 1.492 121.386 119.914 -0.034 0.000 2.483 153 V HA 0.345 4.465 4.120 -0.000 0.000 0.295 153 V C 0.465 176.553 176.094 -0.011 0.000 1.035 153 V CA -1.131 61.153 62.300 -0.027 0.000 0.896 153 V CB 1.881 33.666 31.823 -0.062 0.000 0.986 153 V HN 0.447 nan 8.190 nan 0.000 0.447 154 E N 2.645 122.851 120.200 0.010 0.000 2.354 154 E HA 0.368 4.718 4.350 -0.000 0.000 0.269 154 E C -0.904 175.722 176.600 0.044 0.000 1.036 154 E CA -0.071 56.339 56.400 0.017 0.000 0.876 154 E CB 1.937 31.646 29.700 0.015 0.000 1.009 154 E HN 0.402 nan 8.360 nan 0.000 0.416 155 V N 4.888 124.825 119.914 0.037 0.000 2.531 155 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 155 V C 0.048 176.160 176.094 0.031 0.000 1.034 155 V CA -0.627 61.714 62.300 0.069 0.000 0.865 155 V CB 1.467 33.327 31.823 0.063 0.000 0.995 155 V HN 0.474 nan 8.190 nan 0.000 0.424 156 I N 4.829 125.408 120.570 0.016 0.000 2.436 156 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 156 I C -0.754 175.335 176.117 -0.047 0.000 1.010 156 I CA -0.871 60.415 61.300 -0.024 0.000 1.098 156 I CB 2.157 40.130 38.000 -0.044 0.000 1.266 156 I HN 0.265 nan 8.210 nan 0.000 0.434 157 V N 4.578 124.470 119.914 -0.037 0.000 2.417 157 V HA 0.492 4.612 4.120 -0.000 0.000 0.291 157 V C 0.131 176.200 176.094 -0.040 0.000 1.024 157 V CA -0.420 61.853 62.300 -0.044 0.000 0.861 157 V CB 1.762 33.569 31.823 -0.027 0.000 0.985 157 V HN 0.857 nan 8.190 nan 0.000 0.436 158 T N 0.537 115.056 114.554 -0.059 0.000 2.841 158 T HA 0.794 5.144 4.350 -0.000 0.000 0.285 158 T C -1.073 173.588 174.700 -0.064 0.000 0.991 158 T CA -0.553 61.510 62.100 -0.061 0.000 0.966 158 T CB 2.012 70.835 68.868 -0.076 0.000 0.962 158 T HN 0.661 nan 8.240 nan 0.000 0.438 159 D N 0.297 120.645 120.400 -0.086 0.000 2.710 159 D HA 0.290 4.930 4.640 -0.000 0.000 0.276 159 D C -0.141 175.973 176.300 -0.309 0.000 1.267 159 D CA -0.490 53.462 54.000 -0.079 0.000 0.772 159 D CB 1.167 41.944 40.800 -0.038 0.000 1.299 159 D HN 0.925 nan 8.370 nan 0.000 0.421 160 H N -2.180 116.694 119.070 -0.327 0.000 3.680 160 H HA 0.384 4.940 4.556 -0.000 0.000 0.260 160 H C 0.160 175.505 175.328 0.029 0.000 1.183 160 H CA -0.359 55.370 56.048 -0.531 0.000 1.159 160 H CB -0.084 29.538 29.762 -0.235 0.000 1.567 160 H HN 0.156 nan 8.280 nan 0.000 0.648 161 H N 1.568 120.438 119.070 -0.333 0.000 2.871 161 H HA 0.018 4.574 4.556 -0.000 0.000 0.377 161 H C 0.122 175.487 175.328 0.063 0.000 1.307 161 H CA 0.565 56.488 56.048 -0.208 0.000 1.449 161 H CB 0.770 30.452 29.762 -0.132 0.000 1.452 161 H HN 0.220 nan 8.280 nan 0.000 0.619 162 T N 4.116 118.742 114.554 0.120 0.000 2.792 162 T HA -0.006 4.344 4.350 -0.000 0.000 0.286 162 T C -1.710 173.042 174.700 0.086 0.000 0.970 162 T CA -0.950 61.202 62.100 0.086 0.000 1.187 162 T CB 0.205 69.115 68.868 0.071 0.000 0.915 162 T HN 0.425 nan 8.240 nan 0.000 0.529 163 P HA 0.352 nan 4.420 nan 0.000 0.321 163 P C 0.592 177.898 177.300 0.010 0.000 1.338 163 P CA -0.313 62.761 63.100 -0.043 0.000 0.764 163 P CB 0.366 31.944 31.700 -0.203 0.000 1.641 164 G N -1.712 107.102 108.800 0.024 0.000 3.140 164 G HA2 0.300 4.260 3.960 -0.000 0.000 0.271 164 G HA3 0.300 4.260 3.960 -0.000 0.000 0.271 164 G C 0.034 174.958 174.900 0.040 0.000 1.370 164 G CA -0.571 44.572 45.100 0.071 0.000 1.014 164 G HN 0.178 nan 8.290 nan 0.000 0.541 165 K N -1.212 119.204 120.400 0.027 0.000 2.365 165 K HA 0.083 4.403 4.320 -0.000 0.000 0.199 165 K C 0.614 177.218 176.600 0.007 0.000 1.045 165 K CA 1.036 57.323 56.287 -0.000 0.000 0.962 165 K CB 0.144 32.628 32.500 -0.026 0.000 0.759 165 K HN 0.356 nan 8.250 nan 0.000 0.469 166 T N 0.552 115.137 114.554 0.051 0.000 2.993 166 T HA 0.308 4.658 4.350 -0.000 0.000 0.312 166 T C -2.993 171.830 174.700 0.206 0.000 1.115 166 T CA -2.272 59.880 62.100 0.087 0.000 1.027 166 T CB 1.651 70.546 68.868 0.044 0.000 1.116 166 T HN -0.307 nan 8.240 nan 0.000 0.464 167 P HA 0.282 nan 4.420 nan 0.000 0.268 167 P C -2.429 174.895 177.300 0.040 0.000 1.205 167 P CA -0.923 62.198 63.100 0.035 0.000 0.771 167 P CB 0.109 31.808 31.700 -0.002 0.000 0.858 168 P HA 0.246 nan 4.420 nan 0.000 0.274 168 P C -2.540 174.707 177.300 -0.088 0.000 1.246 168 P CA -1.556 61.344 63.100 -0.333 0.000 0.795 168 P CB -0.568 30.834 31.700 -0.497 0.000 1.006 169 P HA 0.271 nan 4.420 nan 0.000 0.269 169 P C 0.395 177.682 177.300 -0.021 0.000 1.217 169 P CA 1.110 64.205 63.100 -0.008 0.000 0.783 169 P CB -0.190 31.513 31.700 0.005 0.000 0.898 170 G N 0.247 109.040 108.800 -0.010 0.000 2.710 170 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.668 170 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.668 170 G C -1.452 173.442 174.900 -0.009 0.000 1.320 170 G CA -1.081 44.014 45.100 -0.007 0.000 0.860 170 G HN 0.556 nan 8.290 nan 0.000 0.538 171 L N 0.213 121.431 121.223 -0.008 0.000 2.418 171 L HA 0.594 4.934 4.340 -0.000 0.000 0.274 171 L C 0.653 177.515 176.870 -0.013 0.000 1.135 171 L CA -0.214 54.619 54.840 -0.012 0.000 0.870 171 L CB 0.814 42.864 42.059 -0.014 0.000 1.154 171 L HN 0.994 nan 8.230 nan 0.000 0.462 172 V N 6.517 126.425 119.914 -0.009 0.000 2.444 172 V HA 0.472 4.592 4.120 -0.000 0.000 0.294 172 V C -0.635 175.468 176.094 0.015 0.000 1.022 172 V CA -0.495 61.806 62.300 0.002 0.000 0.850 172 V CB 2.150 33.974 31.823 0.002 0.000 0.992 172 V HN 0.421 nan 8.190 nan 0.000 0.426 173 V N 7.554 127.477 119.914 0.014 0.000 2.313 173 V HA 0.574 4.694 4.120 -0.000 0.000 0.278 173 V C -0.505 175.620 176.094 0.051 0.000 1.017 173 V CA -0.437 61.868 62.300 0.008 0.000 0.823 173 V CB 1.059 32.860 31.823 -0.037 0.000 1.010 173 V HN 0.906 nan 8.190 nan 0.000 0.443 174 H N 6.630 125.680 119.070 -0.033 0.000 2.966 174 H HA 0.361 4.917 4.556 -0.000 0.000 0.347 174 H C -2.448 172.868 175.328 -0.020 0.000 1.048 174 H CA -1.642 54.399 56.048 -0.012 0.000 1.295 174 H CB 3.347 33.109 29.762 -0.001 0.000 1.744 174 H HN 0.236 nan 8.280 nan 0.000 0.513 175 P HA -0.158 nan 4.420 nan 0.000 0.215 175 P C 1.126 178.530 177.300 0.173 0.000 1.163 175 P CA 2.371 65.532 63.100 0.102 0.000 0.894 175 P CB 0.032 31.757 31.700 0.041 0.000 0.791 176 A N -1.236 121.786 122.820 0.335 0.000 2.234 176 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 176 A C 1.841 179.431 177.584 0.011 0.000 1.167 176 A CA 1.141 53.255 52.037 0.128 0.000 0.698 176 A CB -1.428 17.611 19.000 0.066 0.000 0.779 176 A HN 0.193 nan 8.150 nan 0.000 0.475 177 L N -0.864 120.377 121.223 0.030 0.000 2.640 177 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 177 L C -0.048 176.822 176.870 0.000 0.000 1.123 177 L CA -0.004 54.825 54.840 -0.017 0.000 0.900 177 L CB 0.228 42.273 42.059 -0.022 0.000 1.146 177 L HN 0.075 nan 8.230 nan 0.000 0.484 178 T N 3.217 117.778 114.554 0.012 0.000 2.832 178 T HA 0.270 4.620 4.350 -0.000 0.000 0.313 178 T C -2.305 172.392 174.700 -0.005 0.000 1.035 178 T CA -1.185 60.911 62.100 -0.006 0.000 0.950 178 T CB 1.010 69.866 68.868 -0.019 0.000 0.984 178 T HN -0.037 nan 8.240 nan 0.000 0.486 179 P HA 0.105 nan 4.420 nan 0.000 0.265 179 P C 0.425 177.720 177.300 -0.008 0.000 1.193 179 P CA 0.492 63.587 63.100 -0.007 0.000 0.765 179 P CB 0.847 32.541 31.700 -0.010 0.000 0.823 180 D N 1.372 121.770 120.400 -0.004 0.000 3.328 180 D HA -0.227 4.413 4.640 -0.000 0.000 0.215 180 D C 0.054 176.354 176.300 0.000 0.000 1.170 180 D CA 1.078 55.075 54.000 -0.005 0.000 2.173 180 D CB -1.634 39.160 40.800 -0.011 0.000 1.262 180 D HN 0.339 nan 8.370 nan 0.000 0.512 181 L N 1.733 122.953 121.223 -0.004 0.000 2.822 181 L HA -0.054 4.286 4.340 -0.000 0.000 0.288 181 L C 1.364 178.252 176.870 0.029 0.000 1.182 181 L CA 1.041 55.881 54.840 -0.000 0.000 0.936 181 L CB 0.349 42.398 42.059 -0.017 0.000 1.269 181 L HN 0.198 nan 8.230 nan 0.000 0.476 182 K N 2.810 123.238 120.400 0.046 0.000 2.314 182 K HA 0.107 4.427 4.320 -0.000 0.000 0.198 182 K C 0.286 176.987 176.600 0.169 0.000 1.045 182 K CA 0.208 56.550 56.287 0.092 0.000 0.988 182 K CB -0.018 32.522 32.500 0.067 0.000 0.783 182 K HN 0.621 nan 8.250 nan 0.000 0.484 183 E N 1.694 121.974 120.200 0.133 0.000 2.436 183 E HA -0.036 4.314 4.350 -0.000 0.000 0.262 183 E C 0.159 176.817 176.600 0.097 0.000 1.063 183 E CA 0.474 56.962 56.400 0.146 0.000 0.944 183 E CB 0.449 30.185 29.700 0.060 0.000 0.950 183 E HN -0.070 nan 8.360 nan 0.000 0.444 184 K N 2.247 122.694 120.400 0.078 0.000 3.022 184 K HA 0.260 4.580 4.320 -0.000 0.000 0.178 184 K C -2.396 174.202 176.600 -0.003 0.000 1.089 184 K CA -1.480 54.826 56.287 0.031 0.000 0.916 184 K CB 1.266 33.769 32.500 0.004 0.000 1.159 184 K HN 0.342 nan 8.250 nan 0.000 0.592 185 P HA -0.031 nan 4.420 nan 0.000 0.269 185 P C 0.366 177.536 177.300 -0.217 0.000 1.215 185 P CA 0.245 63.326 63.100 -0.032 0.000 0.780 185 P CB 0.764 32.346 31.700 -0.196 0.000 0.898 186 T N -1.656 112.704 114.554 -0.325 0.000 2.867 186 T HA 0.365 4.715 4.350 -0.000 0.000 0.286 186 T C 1.784 176.107 174.700 -0.627 0.000 1.022 186 T CA 0.112 61.654 62.100 -0.930 0.000 0.933 186 T CB -0.165 68.356 68.868 -0.579 0.000 1.280 186 T HN 0.393 nan 8.240 nan 0.000 0.566 187 G N 0.080 108.559 108.800 -0.536 0.000 2.446 187 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 187 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 187 G C 1.788 176.638 174.900 -0.083 0.000 1.168 187 G CA 0.914 45.940 45.100 -0.123 0.000 0.771 187 G HN 1.054 nan 8.290 nan 0.000 0.551 188 A N 0.708 123.487 122.820 -0.068 0.000 1.969 188 A HA 0.206 4.526 4.320 -0.000 0.000 0.218 188 A C 2.676 180.308 177.584 0.081 0.000 1.169 188 A CA 1.960 53.995 52.037 -0.004 0.000 0.635 188 A CB -0.912 18.078 19.000 -0.017 0.000 0.810 188 A HN 0.530 nan 8.150 nan 0.000 0.445 189 G N -0.561 108.278 108.800 0.065 0.000 2.418 189 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 189 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 189 G C 1.485 176.504 174.900 0.197 0.000 1.158 189 G CA 1.235 46.494 45.100 0.265 0.000 0.771 189 G HN 0.306 nan 8.290 nan 0.000 0.545 190 V N 1.429 121.345 119.914 0.003 0.000 2.427 190 V HA -0.063 4.057 4.120 -0.000 0.000 0.248 190 V C 3.303 179.395 176.094 -0.002 0.000 1.051 190 V CA 1.801 64.069 62.300 -0.053 0.000 1.048 190 V CB -0.668 31.090 31.823 -0.109 0.000 0.666 190 V HN 0.470 nan 8.190 nan 0.000 0.456 191 A N -0.237 122.595 122.820 0.019 0.000 1.883 191 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 191 A C 2.120 179.729 177.584 0.042 0.000 1.186 191 A CA 2.220 54.259 52.037 0.002 0.000 0.624 191 A CB -0.760 18.238 19.000 -0.005 0.000 0.822 191 A HN 0.535 nan 8.150 nan 0.000 0.444 192 F N 0.509 120.466 119.950 0.012 0.000 2.134 192 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 192 F C 1.902 177.795 175.800 0.154 0.000 1.097 192 F CA 1.733 59.782 58.000 0.082 0.000 1.264 192 F CB -0.268 38.857 39.000 0.208 0.000 1.001 192 F HN 0.141 nan 8.300 nan 0.000 0.479 193 L N -0.492 120.824 121.223 0.154 0.000 2.046 193 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 193 L C 2.400 179.226 176.870 -0.073 0.000 1.077 193 L CA 0.868 55.715 54.840 0.012 0.000 0.747 193 L CB -0.860 41.127 42.059 -0.119 0.000 0.896 193 L HN 0.276 nan 8.230 nan 0.000 0.432 194 L N -0.108 121.067 121.223 -0.080 0.000 2.017 194 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 194 L C 2.308 179.118 176.870 -0.099 0.000 1.073 194 L CA 1.625 56.412 54.840 -0.087 0.000 0.745 194 L CB -0.556 41.452 42.059 -0.084 0.000 0.894 194 L HN 0.129 nan 8.230 nan 0.000 0.432 195 L N -1.323 119.796 121.223 -0.174 0.000 2.083 195 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 195 L C 2.240 178.966 176.870 -0.241 0.000 1.083 195 L CA 1.743 56.429 54.840 -0.257 0.000 0.752 195 L CB -0.954 40.824 42.059 -0.468 0.000 0.899 195 L HN 0.574 nan 8.230 nan 0.000 0.433 196 W N 0.610 121.622 121.300 -0.480 0.000 2.355 196 W HA -0.156 4.504 4.660 -0.000 0.000 0.309 196 W C 2.394 178.818 176.519 -0.158 0.000 1.206 196 W CA 2.101 59.213 57.345 -0.388 0.000 1.284 196 W CB -0.928 28.279 29.460 -0.422 0.000 1.145 196 W HN 0.328 nan 8.180 nan 0.000 0.502 197 A N 0.567 123.451 122.820 0.106 0.000 1.908 197 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 197 A C 2.033 179.662 177.584 0.076 0.000 1.181 197 A CA 2.000 54.053 52.037 0.028 0.000 0.627 197 A CB -1.168 17.800 19.000 -0.053 0.000 0.818 197 A HN 0.334 nan 8.150 nan 0.000 0.445 198 L N -0.705 120.561 121.223 0.072 0.000 2.056 198 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 198 L C 2.280 179.245 176.870 0.157 0.000 1.078 198 L CA 2.263 57.153 54.840 0.084 0.000 0.749 198 L CB -0.905 41.189 42.059 0.059 0.000 0.901 198 L HN 0.564 nan 8.230 nan 0.000 0.433 199 H N -0.710 118.373 119.070 0.022 0.000 2.352 199 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 199 H C 1.978 177.346 175.328 0.066 0.000 1.097 199 H CA 1.310 57.372 56.048 0.024 0.000 1.311 199 H CB 0.320 30.072 29.762 -0.016 0.000 1.377 199 H HN 0.455 nan 8.280 nan 0.000 0.504 200 E N 0.937 121.290 120.200 0.256 0.000 2.058 200 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 200 E C 2.312 178.966 176.600 0.090 0.000 0.997 200 E CA 0.720 57.226 56.400 0.177 0.000 0.801 200 E CB -0.203 29.592 29.700 0.159 0.000 0.746 200 E HN 0.481 nan 8.360 nan 0.000 0.450 201 R N 0.314 120.855 120.500 0.068 0.000 2.127 201 R HA -0.054 4.286 4.340 -0.000 0.000 0.238 201 R C 2.316 178.628 176.300 0.020 0.000 1.134 201 R CA 0.796 56.916 56.100 0.033 0.000 0.975 201 R CB -0.228 30.085 30.300 0.022 0.000 0.865 201 R HN 0.174 nan 8.270 nan 0.000 0.447 202 L N -0.312 120.920 121.223 0.014 0.000 2.591 202 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 202 L C 0.910 177.767 176.870 -0.021 0.000 1.133 202 L CA 0.220 55.050 54.840 -0.017 0.000 0.880 202 L CB 0.063 42.089 42.059 -0.056 0.000 1.033 202 L HN 0.381 nan 8.230 nan 0.000 0.450 203 G N 1.161 109.965 108.800 0.006 0.000 2.246 203 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.273 203 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.273 203 G C -0.096 174.800 174.900 -0.007 0.000 1.055 203 G CA 0.060 45.166 45.100 0.010 0.000 0.851 203 G HN 0.262 nan 8.290 nan 0.000 0.500 204 L N -0.406 120.805 121.223 -0.020 0.000 2.322 204 L HA 0.604 4.944 4.340 -0.000 0.000 0.269 204 L C -1.786 175.106 176.870 0.037 0.000 1.012 204 L CA -2.655 52.146 54.840 -0.065 0.000 0.815 204 L CB 1.669 43.542 42.059 -0.310 0.000 1.295 204 L HN -0.087 nan 8.230 nan 0.000 0.438 205 P HA 0.205 nan 4.420 nan 0.000 0.272 205 P C -2.586 174.738 177.300 0.040 0.000 1.230 205 P CA -1.307 61.823 63.100 0.050 0.000 0.788 205 P CB -0.306 31.409 31.700 0.026 0.000 0.949 206 P HA 0.024 nan 4.420 nan 0.000 0.264 206 P C -1.972 175.044 177.300 -0.473 0.000 1.183 206 P CA -0.679 61.979 63.100 -0.736 0.000 0.763 206 P CB -0.770 30.407 31.700 -0.872 0.000 0.807 207 P HA 0.085 nan 4.420 nan 0.000 0.225 207 P C 0.646 178.005 177.300 0.097 0.000 1.768 207 P CA 0.133 63.109 63.100 -0.207 0.000 0.943 207 P CB -0.207 31.155 31.700 -0.563 0.000 1.936 208 L N 0.803 122.035 121.223 0.014 0.000 2.191 208 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 208 L C 2.390 179.353 176.870 0.154 0.000 1.103 208 L CA 1.561 56.466 54.840 0.108 0.000 0.769 208 L CB -0.912 41.142 42.059 -0.008 0.000 0.908 208 L HN 0.257 nan 8.230 nan 0.000 0.438 209 E N -0.468 119.800 120.200 0.112 0.000 2.401 209 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 209 E C 1.271 177.955 176.600 0.139 0.000 1.023 209 E CA 1.179 57.557 56.400 -0.037 0.000 0.859 209 E CB -0.275 29.280 29.700 -0.240 0.000 0.780 209 E HN 0.546 nan 8.360 nan 0.000 0.523 210 Y N 0.116 120.671 120.300 0.425 0.000 2.457 210 Y HA 0.375 4.925 4.550 -0.000 0.000 0.263 210 Y C 2.318 178.387 175.900 0.281 0.000 1.164 210 Y CA 0.127 58.523 58.100 0.493 0.000 1.274 210 Y CB 0.411 39.112 38.460 0.402 0.000 1.097 210 Y HN 0.164 nan 8.280 nan 0.000 0.523 211 A N 0.559 123.514 122.820 0.226 0.000 2.067 211 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 211 A C 1.816 179.319 177.584 -0.135 0.000 1.158 211 A CA 1.830 53.726 52.037 -0.236 0.000 0.661 211 A CB -0.479 18.371 19.000 -0.249 0.000 0.801 211 A HN 0.526 nan 8.150 nan 0.000 0.452 212 D N 0.630 121.042 120.400 0.020 0.000 2.097 212 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 212 D C 1.775 178.087 176.300 0.021 0.000 0.984 212 D CA 1.115 55.119 54.000 0.007 0.000 0.826 212 D CB -0.890 39.924 40.800 0.025 0.000 0.973 212 D HN 0.434 nan 8.370 nan 0.000 0.460 213 L N 0.447 121.737 121.223 0.112 0.000 2.042 213 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 213 L C 2.773 179.634 176.870 -0.015 0.000 1.076 213 L CA 1.449 56.313 54.840 0.040 0.000 0.749 213 L CB -0.578 41.487 42.059 0.011 0.000 0.893 213 L HN 0.108 nan 8.230 nan 0.000 0.432 214 A N -0.145 122.652 122.820 -0.039 0.000 1.902 214 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 214 A C 2.512 180.011 177.584 -0.143 0.000 1.181 214 A CA 1.691 53.663 52.037 -0.108 0.000 0.623 214 A CB -0.674 18.132 19.000 -0.322 0.000 0.818 214 A HN 0.410 nan 8.150 nan 0.000 0.443 215 A N -0.638 122.080 122.820 -0.169 0.000 1.930 215 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 215 A C 2.204 179.729 177.584 -0.099 0.000 1.175 215 A CA 1.645 53.591 52.037 -0.151 0.000 0.627 215 A CB -0.830 18.085 19.000 -0.142 0.000 0.815 215 A HN 0.360 nan 8.150 nan 0.000 0.443 216 V N -0.099 119.768 119.914 -0.080 0.000 2.343 216 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 216 V C 2.792 178.848 176.094 -0.064 0.000 1.051 216 V CA 1.991 64.251 62.300 -0.067 0.000 1.036 216 V CB -1.324 30.462 31.823 -0.061 0.000 0.654 216 V HN 0.610 nan 8.190 nan 0.000 0.451 217 G N -0.622 108.142 108.800 -0.061 0.000 2.408 217 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 217 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 217 G C 1.685 176.544 174.900 -0.068 0.000 1.150 217 G CA 1.450 46.517 45.100 -0.055 0.000 0.776 217 G HN 0.476 nan 8.290 nan 0.000 0.542 218 T N 1.280 115.784 114.554 -0.083 0.000 2.746 218 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 218 T C 2.380 177.025 174.700 -0.092 0.000 1.039 218 T CA 0.931 62.974 62.100 -0.095 0.000 1.142 218 T CB -0.106 68.701 68.868 -0.102 0.000 0.866 218 T HN 0.245 nan 8.240 nan 0.000 0.444 219 I N 1.316 121.834 120.570 -0.086 0.000 2.233 219 I HA -0.103 4.067 4.170 -0.000 0.000 0.243 219 I C 2.924 178.986 176.117 -0.091 0.000 1.093 219 I CA 0.946 62.195 61.300 -0.084 0.000 1.380 219 I CB -0.462 37.498 38.000 -0.068 0.000 1.067 219 I HN 0.168 nan 8.210 nan 0.000 0.413 220 A N -0.011 122.761 122.820 -0.081 0.000 1.978 220 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 220 A C 1.765 179.313 177.584 -0.059 0.000 1.170 220 A CA 2.140 54.131 52.037 -0.076 0.000 0.636 220 A CB -0.542 18.427 19.000 -0.052 0.000 0.810 220 A HN 0.341 nan 8.150 nan 0.000 0.448 221 D N -1.156 119.217 120.400 -0.046 0.000 2.328 221 D HA 0.217 4.857 4.640 -0.000 0.000 0.226 221 D C 0.556 176.830 176.300 -0.044 0.000 1.066 221 D CA 0.540 54.528 54.000 -0.020 0.000 0.861 221 D CB 0.021 40.836 40.800 0.024 0.000 0.912 221 D HN 0.096 nan 8.370 nan 0.000 0.521 222 V N -0.459 119.412 119.914 -0.072 0.000 5.325 222 V HA -0.288 3.832 4.120 -0.000 0.000 0.291 222 V C 0.773 176.806 176.094 -0.100 0.000 0.541 222 V CA 0.473 62.723 62.300 -0.083 0.000 0.687 222 V CB -2.648 29.134 31.823 -0.068 0.000 0.491 222 V HN 0.346 nan 8.190 nan 0.000 1.145 223 A N 0.408 123.158 122.820 -0.116 0.000 2.332 223 A HA 0.717 5.037 4.320 -0.000 0.000 0.258 223 A C -1.797 175.621 177.584 -0.278 0.000 1.087 223 A CA -1.404 50.535 52.037 -0.163 0.000 0.802 223 A CB 0.254 19.170 19.000 -0.140 0.000 1.042 223 A HN 0.406 nan 8.150 nan 0.000 0.489 224 P HA 0.160 nan 4.420 nan 0.000 0.267 224 P C -0.718 176.080 177.300 -0.836 0.000 1.209 224 P CA 0.276 62.831 63.100 -0.909 0.000 0.763 224 P CB 0.278 30.940 31.700 -1.730 0.000 0.816 225 L N 4.470 125.404 121.223 -0.483 0.000 2.466 225 L HA 0.297 4.637 4.340 -0.000 0.000 0.248 225 L C -0.401 176.488 176.870 0.032 0.000 1.240 225 L CA -0.321 54.399 54.840 -0.201 0.000 1.180 225 L CB -0.936 41.092 42.059 -0.053 0.000 1.413 225 L HN 0.521 nan 8.230 nan 0.000 0.406 226 W N 0.127 121.470 121.300 0.073 0.000 3.062 226 W HA 0.797 5.457 4.660 -0.000 0.000 0.336 226 W C 0.565 177.106 176.519 0.037 0.000 1.224 226 W CA -0.571 56.807 57.345 0.056 0.000 1.159 226 W CB -0.032 29.442 29.460 0.024 0.000 1.454 226 W HN 0.324 nan 8.180 nan 0.000 0.569 227 G N 1.009 110.005 108.800 0.326 0.000 2.596 227 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.295 227 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.295 227 G C 0.575 175.597 174.900 0.203 0.000 1.240 227 G CA 1.166 46.413 45.100 0.244 0.000 0.985 227 G HN 1.285 nan 8.290 nan 0.000 0.555 228 W N 1.810 123.156 121.300 0.078 0.000 2.318 228 W HA -0.143 4.518 4.660 0.000 0.000 0.313 228 W C 2.743 179.274 176.519 0.020 0.000 1.221 228 W CA 2.647 60.022 57.345 0.050 0.000 1.266 228 W CB -0.390 29.093 29.460 0.038 0.000 1.150 228 W HN 0.480 nan 8.180 nan 0.000 0.496 229 N N 0.121 118.915 118.700 0.157 0.000 2.149 229 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 229 N C 1.756 177.160 175.510 -0.177 0.000 1.019 229 N CA 1.899 54.909 53.050 -0.066 0.000 0.857 229 N CB -0.751 37.700 38.487 -0.061 0.000 0.997 229 N HN 0.281 nan 8.380 nan 0.000 0.426 230 R N 0.594 121.052 120.500 -0.071 0.000 2.075 230 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 230 R C 1.996 178.233 176.300 -0.106 0.000 1.126 230 R CA 1.371 57.451 56.100 -0.035 0.000 0.963 230 R CB -0.214 30.149 30.300 0.104 0.000 0.858 230 R HN 0.178 nan 8.270 nan 0.000 0.435 231 A N 0.817 123.541 122.820 -0.161 0.000 1.898 231 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 231 A C 2.030 179.413 177.584 -0.335 0.000 1.181 231 A CA 1.225 53.141 52.037 -0.202 0.000 0.620 231 A CB -0.618 18.270 19.000 -0.187 0.000 0.819 231 A HN 0.393 nan 8.150 nan 0.000 0.442 232 L N -0.100 120.760 121.223 -0.605 0.000 2.017 232 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 232 L C 2.344 178.979 176.870 -0.392 0.000 1.073 232 L CA 1.914 56.350 54.840 -0.672 0.000 0.745 232 L CB -0.422 40.990 42.059 -1.079 0.000 0.894 232 L HN 0.141 nan 8.230 nan 0.000 0.432 233 V N -0.408 119.329 119.914 -0.294 0.000 2.427 233 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 233 V C 2.545 178.566 176.094 -0.122 0.000 1.051 233 V CA 2.001 64.194 62.300 -0.179 0.000 1.048 233 V CB -0.619 31.125 31.823 -0.131 0.000 0.666 233 V HN 0.465 nan 8.190 nan 0.000 0.456 234 K N -0.144 120.188 120.400 -0.114 0.000 2.057 234 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 234 K C 2.182 178.739 176.600 -0.072 0.000 1.050 234 K CA 1.574 57.817 56.287 -0.073 0.000 0.935 234 K CB -0.152 32.314 32.500 -0.057 0.000 0.715 234 K HN 0.362 nan 8.250 nan 0.000 0.439 235 E N 0.456 120.592 120.200 -0.106 0.000 2.031 235 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 235 E C 2.018 178.565 176.600 -0.088 0.000 0.994 235 E CA 1.841 58.185 56.400 -0.094 0.000 0.800 235 E CB -0.589 29.040 29.700 -0.120 0.000 0.752 235 E HN 0.293 nan 8.360 nan 0.000 0.447 236 G N 0.595 109.320 108.800 -0.125 0.000 2.418 236 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 236 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 236 G C 1.633 176.510 174.900 -0.038 0.000 1.158 236 G CA 0.884 45.927 45.100 -0.096 0.000 0.771 236 G HN 0.286 nan 8.290 nan 0.000 0.545 237 L N 0.710 121.929 121.223 -0.007 0.000 2.042 237 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 237 L C 3.372 180.322 176.870 0.134 0.000 1.076 237 L CA 1.110 56.013 54.840 0.106 0.000 0.749 237 L CB -0.404 41.718 42.059 0.105 0.000 0.893 237 L HN 0.319 nan 8.230 nan 0.000 0.432 238 A N 0.050 122.898 122.820 0.045 0.000 2.015 238 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 238 A C 2.310 179.906 177.584 0.019 0.000 1.163 238 A CA 1.212 53.268 52.037 0.031 0.000 0.646 238 A CB -0.350 18.647 19.000 -0.006 0.000 0.806 238 A HN 0.379 nan 8.150 nan 0.000 0.448 239 R N -0.762 119.731 120.500 -0.011 0.000 2.246 239 R HA 0.271 4.611 4.340 -0.000 0.000 0.199 239 R C 1.615 177.874 176.300 -0.068 0.000 0.984 239 R CA 0.435 56.503 56.100 -0.053 0.000 1.015 239 R CB -0.242 30.009 30.300 -0.081 0.000 0.930 239 R HN 0.504 nan 8.270 nan 0.000 0.475 240 I N 1.621 122.166 120.570 -0.042 0.000 2.208 240 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 240 I C -0.768 175.307 176.117 -0.071 0.000 1.097 240 I CA 1.445 62.678 61.300 -0.111 0.000 1.363 240 I CB -0.989 36.820 38.000 -0.319 0.000 1.051 240 I HN 0.031 nan 8.210 nan 0.000 0.413 241 P HA -0.150 nan 4.420 nan 0.000 0.218 241 P C 0.376 177.664 177.300 -0.020 0.000 1.148 241 P CA 1.431 64.564 63.100 0.056 0.000 0.822 241 P CB 0.082 31.844 31.700 0.103 0.000 0.784 242 A N -1.434 121.350 122.820 -0.061 0.000 2.855 242 A HA 0.328 4.648 4.320 -0.000 0.000 0.301 242 A C 0.578 178.051 177.584 -0.183 0.000 1.076 242 A CA -0.188 51.787 52.037 -0.102 0.000 1.004 242 A CB -0.625 18.322 19.000 -0.089 0.000 1.152 242 A HN 0.039 nan 8.150 nan 0.000 0.531 243 S N -0.515 115.064 115.700 -0.203 0.000 2.559 243 S HA 0.064 4.534 4.470 -0.000 0.000 0.282 243 S C 1.435 175.723 174.600 -0.521 0.000 1.336 243 S CA 0.567 58.558 58.200 -0.349 0.000 1.037 243 S CB 0.559 63.610 63.200 -0.248 0.000 0.853 243 S HN 0.509 nan 8.310 nan 0.000 0.523 244 S N 2.871 117.961 115.700 -1.017 0.000 2.489 244 S HA 0.081 4.551 4.470 -0.000 0.000 0.228 244 S C -0.323 173.737 174.600 -0.900 0.000 0.995 244 S CA 0.275 57.766 58.200 -1.181 0.000 0.934 244 S CB -0.086 61.942 63.200 -1.954 0.000 0.771 244 S HN 0.754 nan 8.310 nan 0.000 0.522 245 W N 0.495 121.727 121.300 -0.114 0.000 2.282 245 W HA 0.521 5.181 4.660 0.000 0.000 0.322 245 W C 0.995 177.470 176.519 -0.073 0.000 1.011 245 W CA -0.826 56.465 57.345 -0.090 0.000 1.392 245 W CB 0.337 29.741 29.460 -0.094 0.000 1.215 245 W HN -0.266 nan 8.180 nan 0.000 0.394 246 V N 4.052 124.018 119.914 0.087 0.000 2.453 246 V HA -0.227 3.893 4.120 -0.000 0.000 0.252 246 V C 2.017 178.133 176.094 0.036 0.000 1.068 246 V CA 2.850 65.167 62.300 0.027 0.000 1.070 246 V CB -0.579 31.253 31.823 0.015 0.000 0.664 246 V HN 0.872 nan 8.190 nan 0.000 0.461 247 G N -0.443 108.396 108.800 0.065 0.000 2.418 247 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 247 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 247 G C 1.501 176.412 174.900 0.020 0.000 1.158 247 G CA 1.116 46.235 45.100 0.032 0.000 0.771 247 G HN 0.518 nan 8.290 nan 0.000 0.545 248 L N 0.718 121.975 121.223 0.056 0.000 2.056 248 L HA 0.120 4.460 4.340 -0.000 0.000 0.207 248 L C 2.723 179.573 176.870 -0.034 0.000 1.078 248 L CA 2.183 57.035 54.840 0.020 0.000 0.749 248 L CB -0.691 41.423 42.059 0.092 0.000 0.901 248 L HN 0.274 nan 8.230 nan 0.000 0.433 249 R N -0.961 119.522 120.500 -0.028 0.000 2.083 249 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 249 R C 2.191 178.475 176.300 -0.027 0.000 1.137 249 R CA 1.901 57.971 56.100 -0.050 0.000 0.951 249 R CB -0.425 29.846 30.300 -0.050 0.000 0.851 249 R HN 0.358 nan 8.270 nan 0.000 0.434 250 L N 0.793 122.009 121.223 -0.013 0.000 2.093 250 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 250 L C 2.174 179.047 176.870 0.005 0.000 1.085 250 L CA 1.209 56.049 54.840 -0.000 0.000 0.755 250 L CB -0.687 41.370 42.059 -0.004 0.000 0.904 250 L HN 0.309 nan 8.230 nan 0.000 0.435 251 L N -0.696 120.517 121.223 -0.016 0.000 2.109 251 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 251 L C 2.446 179.325 176.870 0.016 0.000 1.086 251 L CA 1.898 56.732 54.840 -0.010 0.000 0.760 251 L CB -0.960 41.075 42.059 -0.039 0.000 0.910 251 L HN 0.169 nan 8.230 nan 0.000 0.437 252 A N -0.704 122.094 122.820 -0.036 0.000 1.933 252 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 252 A C 2.166 179.801 177.584 0.085 0.000 1.175 252 A CA 1.748 53.754 52.037 -0.053 0.000 0.628 252 A CB -0.544 18.296 19.000 -0.266 0.000 0.814 252 A HN 0.604 nan 8.150 nan 0.000 0.444 253 E N -0.279 119.962 120.200 0.069 0.000 2.072 253 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 253 E C 2.263 178.919 176.600 0.093 0.000 0.982 253 E CA 0.763 57.216 56.400 0.088 0.000 0.803 253 E CB -0.282 29.453 29.700 0.058 0.000 0.755 253 E HN 0.600 nan 8.360 nan 0.000 0.453 254 A N 1.265 124.148 122.820 0.106 0.000 2.024 254 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 254 A C 2.286 179.944 177.584 0.124 0.000 1.164 254 A CA 1.586 53.714 52.037 0.151 0.000 0.643 254 A CB -0.487 18.686 19.000 0.288 0.000 0.806 254 A HN 0.247 nan 8.150 nan 0.000 0.451 255 V N -4.215 115.777 119.914 0.129 0.000 3.376 255 V HA 0.566 4.686 4.120 -0.000 0.000 0.313 255 V C 1.037 177.197 176.094 0.110 0.000 1.393 255 V CA 0.450 62.816 62.300 0.110 0.000 1.125 255 V CB -0.880 31.021 31.823 0.130 0.000 1.037 255 V HN 1.492 nan 8.190 nan 0.000 0.440 256 G N 0.318 109.183 108.800 0.108 0.000 2.246 256 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.273 256 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.273 256 G C -0.100 174.875 174.900 0.125 0.000 1.055 256 G CA 0.465 45.623 45.100 0.096 0.000 0.851 256 G HN 1.094 nan 8.290 nan 0.000 0.500 257 Y N 0.933 121.251 120.300 0.029 0.000 2.811 257 Y HA 0.271 4.821 4.550 0.000 0.000 0.334 257 Y C 1.661 177.572 175.900 0.019 0.000 1.247 257 Y CA 1.574 59.691 58.100 0.027 0.000 1.526 257 Y CB 0.835 39.308 38.460 0.022 0.000 1.284 257 Y HN 0.462 nan 8.280 nan 0.000 0.586 258 T N 1.258 115.471 114.554 -0.567 0.000 3.337 258 T HA 0.373 4.723 4.350 -0.000 0.000 0.299 258 T C 0.763 175.078 174.700 -0.641 0.000 0.998 258 T CA 0.026 61.856 62.100 -0.449 0.000 0.948 258 T CB -0.127 68.622 68.868 -0.199 0.000 1.170 258 T HN 1.370 nan 8.240 nan 0.000 0.508 259 G N 1.650 109.591 108.800 -1.432 0.000 2.141 259 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.231 259 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.231 259 G C -0.192 174.510 174.900 -0.329 0.000 0.984 259 G CA -0.400 44.223 45.100 -0.796 0.000 0.660 259 G HN 0.566 nan 8.290 nan 0.000 0.525 260 K N 0.312 120.529 120.400 -0.306 0.000 2.156 260 K HA 0.756 5.076 4.320 -0.000 0.000 0.271 260 K C 1.385 178.049 176.600 0.108 0.000 0.995 260 K CA -0.034 56.229 56.287 -0.040 0.000 0.890 260 K CB 1.385 33.878 32.500 -0.012 0.000 1.073 260 K HN 0.377 nan 8.250 nan 0.000 0.454 261 A N 2.779 125.653 122.820 0.090 0.000 1.972 261 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 261 A C 1.957 179.618 177.584 0.129 0.000 1.169 261 A CA 1.531 53.627 52.037 0.100 0.000 0.635 261 A CB -0.350 18.683 19.000 0.054 0.000 0.810 261 A HN 0.452 nan 8.150 nan 0.000 0.446 262 V N 0.195 120.210 119.914 0.168 0.000 2.490 262 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 262 V C 2.210 178.481 176.094 0.295 0.000 1.061 262 V CA 2.570 65.029 62.300 0.265 0.000 1.064 262 V CB -0.550 31.434 31.823 0.268 0.000 0.670 262 V HN 0.736 nan 8.190 nan 0.000 0.461 263 E N -0.714 119.622 120.200 0.226 0.000 2.150 263 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 263 E C 2.164 178.891 176.600 0.211 0.000 0.985 263 E CA 1.350 57.894 56.400 0.239 0.000 0.814 263 E CB -0.094 29.761 29.700 0.258 0.000 0.752 263 E HN 0.538 nan 8.360 nan 0.000 0.466 264 V N 1.320 121.340 119.914 0.177 0.000 2.323 264 V HA -0.231 3.889 4.120 -0.000 0.000 0.244 264 V C 2.326 178.417 176.094 -0.004 0.000 1.041 264 V CA 1.814 64.156 62.300 0.070 0.000 1.025 264 V CB -0.657 31.189 31.823 0.039 0.000 0.656 264 V HN 0.318 nan 8.190 nan 0.000 0.451 265 A N -0.606 122.184 122.820 -0.051 0.000 1.902 265 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 265 A C 1.913 179.222 177.584 -0.458 0.000 1.181 265 A CA 1.989 53.856 52.037 -0.284 0.000 0.623 265 A CB -0.562 18.203 19.000 -0.392 0.000 0.818 265 A HN 0.525 nan 8.150 nan 0.000 0.443 266 F N -1.675 118.298 119.950 0.037 0.000 2.731 266 F HA 0.259 4.786 4.527 -0.000 0.000 0.298 266 F C 2.383 178.204 175.800 0.034 0.000 1.106 266 F CA 0.402 58.420 58.000 0.030 0.000 1.329 266 F CB 0.293 39.308 39.000 0.025 0.000 1.100 266 F HN 0.056 nan 8.300 nan 0.000 0.592 267 R N -0.749 119.855 120.500 0.172 0.000 2.302 267 R HA 0.290 4.630 4.340 -0.000 0.000 0.187 267 R C 1.882 178.235 176.300 0.089 0.000 0.904 267 R CA 0.366 56.546 56.100 0.135 0.000 1.105 267 R CB 0.025 30.413 30.300 0.147 0.000 1.239 267 R HN 0.145 nan 8.270 nan 0.000 0.620 268 I N 1.125 121.733 120.570 0.064 0.000 2.162 268 I HA -0.118 4.052 4.170 -0.000 0.000 0.238 268 I C 2.557 178.674 176.117 0.001 0.000 1.076 268 I CA 1.322 62.636 61.300 0.023 0.000 1.353 268 I CB -0.389 37.600 38.000 -0.018 0.000 1.063 268 I HN 0.152 nan 8.210 nan 0.000 0.408 269 A N 1.264 124.072 122.820 -0.019 0.000 1.902 269 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 269 A C -0.037 177.534 177.584 -0.021 0.000 1.181 269 A CA 1.665 53.683 52.037 -0.032 0.000 0.623 269 A CB -1.869 17.095 19.000 -0.059 0.000 0.818 269 A HN 0.265 nan 8.150 nan 0.000 0.443 270 P HA -0.119 nan 4.420 nan 0.000 0.218 270 P C 1.456 178.763 177.300 0.012 0.000 1.149 270 P CA 1.151 64.251 63.100 -0.000 0.000 0.817 270 P CB -0.010 31.702 31.700 0.020 0.000 0.785 271 R N -0.689 119.827 120.500 0.025 0.000 2.096 271 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 271 R C 2.202 178.502 176.300 -0.001 0.000 1.127 271 R CA 1.223 57.341 56.100 0.029 0.000 0.968 271 R CB -1.302 29.026 30.300 0.046 0.000 0.861 271 R HN 0.203 nan 8.270 nan 0.000 0.440 272 I N 0.562 121.127 120.570 -0.008 0.000 2.315 272 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 272 I C 1.421 177.534 176.117 -0.007 0.000 1.117 272 I CA 0.984 62.275 61.300 -0.015 0.000 1.404 272 I CB -0.263 37.725 38.000 -0.019 0.000 1.071 272 I HN 0.180 nan 8.210 nan 0.000 0.419 273 N N 1.170 119.869 118.700 -0.002 0.000 2.244 273 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 273 N C 1.912 177.416 175.510 -0.010 0.000 1.016 273 N CA 1.439 54.493 53.050 0.007 0.000 0.866 273 N CB -0.287 38.204 38.487 0.007 0.000 0.980 273 N HN 0.324 nan 8.380 nan 0.000 0.430 274 A N 1.071 123.881 122.820 -0.016 0.000 1.933 274 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 274 A C 2.375 179.936 177.584 -0.038 0.000 1.175 274 A CA 1.832 53.850 52.037 -0.030 0.000 0.628 274 A CB -0.723 18.266 19.000 -0.020 0.000 0.814 274 A HN 0.307 nan 8.150 nan 0.000 0.444 275 A N -0.745 122.057 122.820 -0.030 0.000 1.883 275 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 275 A C 2.502 180.059 177.584 -0.044 0.000 1.186 275 A CA 2.299 54.315 52.037 -0.034 0.000 0.624 275 A CB -1.076 17.906 19.000 -0.030 0.000 0.822 275 A HN 0.564 nan 8.150 nan 0.000 0.444 276 S N -0.558 115.117 115.700 -0.041 0.000 2.343 276 S HA -0.202 4.268 4.470 -0.000 0.000 0.219 276 S C 2.170 176.687 174.600 -0.139 0.000 1.033 276 S CA 1.546 59.699 58.200 -0.078 0.000 1.014 276 S CB -0.358 62.832 63.200 -0.017 0.000 0.915 276 S HN 0.605 nan 8.310 nan 0.000 0.435 277 R N -0.086 120.352 120.500 -0.104 0.000 2.170 277 R HA -0.042 4.298 4.340 -0.000 0.000 0.242 277 R C 1.232 177.501 176.300 -0.053 0.000 1.145 277 R CA 1.107 57.148 56.100 -0.097 0.000 0.984 277 R CB -0.312 29.941 30.300 -0.077 0.000 0.869 277 R HN 0.315 nan 8.270 nan 0.000 0.455 278 L N -0.528 120.662 121.223 -0.055 0.000 2.685 278 L HA 0.268 4.608 4.340 -0.000 0.000 0.233 278 L C 1.085 177.956 176.870 0.002 0.000 1.173 278 L CA 0.792 55.623 54.840 -0.014 0.000 0.961 278 L CB 0.534 42.563 42.059 -0.050 0.000 1.217 278 L HN 0.418 nan 8.230 nan 0.000 0.478 279 G N -0.468 108.310 108.800 -0.037 0.000 2.179 279 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 279 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 279 G C 0.568 175.441 174.900 -0.045 0.000 0.977 279 G CA 0.196 45.267 45.100 -0.048 0.000 0.641 279 G HN 0.466 nan 8.290 nan 0.000 0.533 280 E N -0.060 120.114 120.200 -0.043 0.000 3.269 280 E HA 0.575 4.925 4.350 -0.000 0.000 0.221 280 E C 1.622 178.199 176.600 -0.040 0.000 1.113 280 E CA 0.118 56.496 56.400 -0.037 0.000 1.385 280 E CB 0.540 30.224 29.700 -0.028 0.000 1.345 280 E HN 0.470 nan 8.360 nan 0.000 0.435 281 A N 0.938 123.731 122.820 -0.045 0.000 2.070 281 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 281 A C 1.738 179.299 177.584 -0.038 0.000 1.159 281 A CA 1.177 53.195 52.037 -0.032 0.000 0.656 281 A CB -0.101 18.894 19.000 -0.008 0.000 0.800 281 A HN 0.175 nan 8.150 nan 0.000 0.453 282 E N 0.238 120.411 120.200 -0.046 0.000 2.110 282 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 282 E C 1.828 178.406 176.600 -0.036 0.000 0.988 282 E CA 1.402 57.775 56.400 -0.046 0.000 0.804 282 E CB -0.230 29.446 29.700 -0.041 0.000 0.745 282 E HN 0.454 nan 8.360 nan 0.000 0.458 283 K N 0.682 121.062 120.400 -0.034 0.000 2.026 283 K HA -0.007 4.313 4.320 -0.000 0.000 0.208 283 K C 1.981 178.559 176.600 -0.037 0.000 1.048 283 K CA 1.413 57.680 56.287 -0.033 0.000 0.929 283 K CB -0.622 31.858 32.500 -0.033 0.000 0.713 283 K HN 0.178 nan 8.250 nan 0.000 0.439 284 A N 0.389 123.187 122.820 -0.037 0.000 1.902 284 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 284 A C 2.083 179.643 177.584 -0.040 0.000 1.181 284 A CA 1.452 53.466 52.037 -0.038 0.000 0.623 284 A CB -0.670 18.312 19.000 -0.030 0.000 0.818 284 A HN 0.278 nan 8.150 nan 0.000 0.443 285 L N -0.211 120.987 121.223 -0.041 0.000 2.017 285 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 285 L C 2.390 179.233 176.870 -0.045 0.000 1.073 285 L CA 2.536 57.346 54.840 -0.049 0.000 0.745 285 L CB -0.664 41.362 42.059 -0.054 0.000 0.894 285 L HN 0.394 nan 8.230 nan 0.000 0.432 286 R N -0.432 120.047 120.500 -0.035 0.000 2.096 286 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 286 R C 2.154 178.441 176.300 -0.023 0.000 1.127 286 R CA 1.857 57.942 56.100 -0.025 0.000 0.968 286 R CB -1.071 29.217 30.300 -0.019 0.000 0.861 286 R HN 0.462 nan 8.270 nan 0.000 0.440 287 L N 0.078 121.284 121.223 -0.028 0.000 2.079 287 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 287 L C 1.671 178.533 176.870 -0.014 0.000 1.081 287 L CA 1.754 56.580 54.840 -0.024 0.000 0.752 287 L CB -0.234 41.803 42.059 -0.038 0.000 0.896 287 L HN 0.301 nan 8.230 nan 0.000 0.433 288 L N -1.525 119.679 121.223 -0.032 0.000 2.418 288 L HA -0.046 4.294 4.340 -0.000 0.000 0.218 288 L C 1.948 178.774 176.870 -0.075 0.000 1.125 288 L CA 0.359 55.169 54.840 -0.051 0.000 0.835 288 L CB -0.210 41.797 42.059 -0.088 0.000 0.953 288 L HN 0.299 nan 8.230 nan 0.000 0.454 289 L N -1.773 119.421 121.223 -0.048 0.000 2.515 289 L HA 0.115 4.455 4.340 -0.000 0.000 0.223 289 L C 1.329 178.205 176.870 0.011 0.000 1.079 289 L CA -0.003 54.812 54.840 -0.042 0.000 0.857 289 L CB 0.049 42.085 42.059 -0.037 0.000 1.050 289 L HN 0.047 nan 8.230 nan 0.000 0.476 290 T N -0.486 114.081 114.554 0.022 0.000 2.898 290 T HA 0.032 4.382 4.350 -0.000 0.000 0.301 290 T C 0.445 175.184 174.700 0.065 0.000 1.049 290 T CA -0.085 62.037 62.100 0.036 0.000 1.095 290 T CB 0.857 69.737 68.868 0.021 0.000 0.976 290 T HN 0.073 nan 8.240 nan 0.000 0.539 291 D N 1.111 121.546 120.400 0.059 0.000 2.469 291 D HA 0.132 4.772 4.640 -0.000 0.000 0.213 291 D C -0.173 176.148 176.300 0.036 0.000 1.135 291 D CA -0.116 53.922 54.000 0.064 0.000 0.834 291 D CB 0.318 41.159 40.800 0.069 0.000 1.009 291 D HN 0.525 nan 8.370 nan 0.000 0.507 292 D N 0.821 121.238 120.400 0.028 0.000 2.336 292 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 292 D C 1.141 177.448 176.300 0.013 0.000 1.213 292 D CA -0.209 53.801 54.000 0.017 0.000 0.870 292 D CB 1.534 42.343 40.800 0.014 0.000 1.076 292 D HN -0.040 nan 8.370 nan 0.000 0.483 293 A N 4.256 127.081 122.820 0.008 0.000 1.933 293 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 293 A C 2.091 179.676 177.584 0.003 0.000 1.175 293 A CA 1.779 53.819 52.037 0.004 0.000 0.628 293 A CB -0.480 18.520 19.000 0.000 0.000 0.814 293 A HN 0.649 nan 8.150 nan 0.000 0.444 294 A N -0.240 122.581 122.820 0.003 0.000 1.877 294 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 294 A C 2.064 179.648 177.584 -0.000 0.000 1.186 294 A CA 1.844 53.882 52.037 0.002 0.000 0.620 294 A CB -0.607 18.395 19.000 0.003 0.000 0.822 294 A HN 0.672 nan 8.150 nan 0.000 0.443 295 E N -0.131 120.070 120.200 0.001 0.000 2.077 295 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 295 E C 2.126 178.722 176.600 -0.007 0.000 0.989 295 E CA 1.086 57.485 56.400 -0.002 0.000 0.800 295 E CB -0.272 29.429 29.700 0.002 0.000 0.746 295 E HN 0.522 nan 8.360 nan 0.000 0.452 296 A N 1.119 123.936 122.820 -0.004 0.000 1.902 296 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 296 A C 2.174 179.745 177.584 -0.022 0.000 1.181 296 A CA 1.817 53.848 52.037 -0.011 0.000 0.623 296 A CB -0.739 18.261 19.000 0.000 0.000 0.818 296 A HN 0.457 nan 8.150 nan 0.000 0.443 297 Q N -0.512 119.280 119.800 -0.014 0.000 2.030 297 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 297 Q C 2.240 178.227 176.000 -0.022 0.000 0.986 297 Q CA 1.915 57.710 55.803 -0.013 0.000 0.843 297 Q CB -0.396 28.342 28.738 -0.000 0.000 0.904 297 Q HN 0.592 nan 8.270 nan 0.000 0.420 298 A N 0.808 123.618 122.820 -0.016 0.000 1.883 298 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 298 A C 2.087 179.650 177.584 -0.035 0.000 1.186 298 A CA 1.540 53.567 52.037 -0.017 0.000 0.624 298 A CB -0.862 18.132 19.000 -0.010 0.000 0.822 298 A HN 0.484 nan 8.150 nan 0.000 0.444 299 L N -0.668 120.530 121.223 -0.042 0.000 2.131 299 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 299 L C 2.500 179.305 176.870 -0.108 0.000 1.092 299 L CA 0.864 55.669 54.840 -0.058 0.000 0.759 299 L CB -0.456 41.575 42.059 -0.046 0.000 0.903 299 L HN 0.258 nan 8.230 nan 0.000 0.435 300 V N 0.073 119.904 119.914 -0.138 0.000 2.343 300 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 300 V C 2.631 178.483 176.094 -0.404 0.000 1.051 300 V CA 1.999 64.128 62.300 -0.284 0.000 1.036 300 V CB -1.194 30.496 31.823 -0.221 0.000 0.654 300 V HN 0.569 nan 8.190 nan 0.000 0.451 301 G N -0.522 108.175 108.800 -0.171 0.000 2.476 301 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 301 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 301 G C 1.489 176.367 174.900 -0.036 0.000 1.164 301 G CA 1.250 46.325 45.100 -0.040 0.000 0.768 301 G HN 0.535 nan 8.290 nan 0.000 0.560 302 E N 0.203 120.369 120.200 -0.056 0.000 2.058 302 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 302 E C 2.610 179.183 176.600 -0.044 0.000 0.997 302 E CA 0.798 57.176 56.400 -0.036 0.000 0.801 302 E CB -0.382 29.295 29.700 -0.038 0.000 0.746 302 E HN 0.419 nan 8.360 nan 0.000 0.450 303 L N -0.343 120.820 121.223 -0.099 0.000 2.042 303 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 303 L C 2.374 179.234 176.870 -0.016 0.000 1.076 303 L CA 1.814 56.604 54.840 -0.083 0.000 0.749 303 L CB -0.704 41.278 42.059 -0.129 0.000 0.893 303 L HN 0.391 nan 8.230 nan 0.000 0.432 304 H N -1.027 118.041 119.070 -0.004 0.000 2.387 304 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 304 H C 2.504 177.829 175.328 -0.005 0.000 1.090 304 H CA 1.090 57.137 56.048 -0.001 0.000 1.332 304 H CB 0.122 29.886 29.762 0.003 0.000 1.386 304 H HN 0.211 nan 8.280 nan 0.000 0.516 305 R N 0.949 121.516 120.500 0.112 0.000 2.073 305 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 305 R C 1.989 178.306 176.300 0.028 0.000 1.120 305 R CA 0.906 57.040 56.100 0.057 0.000 0.967 305 R CB -0.089 30.231 30.300 0.034 0.000 0.862 305 R HN 0.286 nan 8.270 nan 0.000 0.436 306 L N 0.845 122.078 121.223 0.016 0.000 2.093 306 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 306 L C 2.233 179.100 176.870 -0.005 0.000 1.085 306 L CA 1.318 56.154 54.840 -0.006 0.000 0.755 306 L CB -0.447 41.602 42.059 -0.016 0.000 0.904 306 L HN 0.281 nan 8.230 nan 0.000 0.435 307 N N 0.128 118.841 118.700 0.022 0.000 2.188 307 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 307 N C 1.821 177.338 175.510 0.012 0.000 1.018 307 N CA 1.305 54.369 53.050 0.023 0.000 0.858 307 N CB -0.003 38.522 38.487 0.064 0.000 0.989 307 N HN 0.262 nan 8.380 nan 0.000 0.426 308 A N 0.393 123.226 122.820 0.021 0.000 1.902 308 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 308 A C 2.221 179.799 177.584 -0.010 0.000 1.181 308 A CA 1.533 53.574 52.037 0.007 0.000 0.623 308 A CB -0.627 18.380 19.000 0.013 0.000 0.818 308 A HN 0.315 nan 8.150 nan 0.000 0.443 309 R N 0.016 120.506 120.500 -0.016 0.000 2.066 309 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 309 R C 2.298 178.558 176.300 -0.066 0.000 1.131 309 R CA 1.840 57.919 56.100 -0.035 0.000 0.955 309 R CB -0.624 29.655 30.300 -0.035 0.000 0.851 309 R HN 0.426 nan 8.270 nan 0.000 0.432 310 R N 0.801 121.255 120.500 -0.077 0.000 2.083 310 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 310 R C 1.994 178.250 176.300 -0.072 0.000 1.137 310 R CA 2.256 58.291 56.100 -0.108 0.000 0.951 310 R CB -0.414 29.835 30.300 -0.085 0.000 0.851 310 R HN 0.506 nan 8.270 nan 0.000 0.434 311 Q N -0.753 119.024 119.800 -0.039 0.000 2.084 311 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 311 Q C 2.044 178.029 176.000 -0.026 0.000 0.978 311 Q CA 2.369 58.157 55.803 -0.025 0.000 0.844 311 Q CB -0.056 28.676 28.738 -0.011 0.000 0.898 311 Q HN 0.404 nan 8.270 nan 0.000 0.426 312 T N 1.178 115.715 114.554 -0.027 0.000 2.708 312 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 312 T C 1.827 176.512 174.700 -0.025 0.000 1.037 312 T CA 0.964 63.051 62.100 -0.021 0.000 1.146 312 T CB -0.219 68.639 68.868 -0.018 0.000 0.865 312 T HN 0.172 nan 8.240 nan 0.000 0.435 313 L N 0.642 121.839 121.223 -0.044 0.000 2.056 313 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 313 L C 2.830 179.679 176.870 -0.036 0.000 1.078 313 L CA 1.410 56.222 54.840 -0.046 0.000 0.749 313 L CB -0.480 41.515 42.059 -0.106 0.000 0.901 313 L HN 0.354 nan 8.230 nan 0.000 0.433 314 E N 0.281 120.455 120.200 -0.044 0.000 2.077 314 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 314 E C 2.037 178.630 176.600 -0.013 0.000 0.989 314 E CA 1.377 57.761 56.400 -0.027 0.000 0.800 314 E CB 0.145 29.828 29.700 -0.027 0.000 0.746 314 E HN 0.308 nan 8.360 nan 0.000 0.452 315 E N 0.409 120.601 120.200 -0.014 0.000 2.072 315 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 315 E C 1.722 178.319 176.600 -0.004 0.000 0.985 315 E CA 1.436 57.831 56.400 -0.008 0.000 0.801 315 E CB -0.306 29.389 29.700 -0.009 0.000 0.750 315 E HN 0.357 nan 8.360 nan 0.000 0.452 316 A N 0.489 123.306 122.820 -0.004 0.000 1.877 316 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 316 A C 2.333 179.919 177.584 0.004 0.000 1.186 316 A CA 1.792 53.829 52.037 0.001 0.000 0.620 316 A CB -0.651 18.350 19.000 0.001 0.000 0.822 316 A HN 0.443 nan 8.150 nan 0.000 0.443 317 M N -0.627 118.975 119.600 0.004 0.000 2.117 317 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 317 M C 2.007 178.314 176.300 0.011 0.000 1.065 317 M CA 1.525 56.831 55.300 0.008 0.000 1.114 317 M CB -0.119 32.487 32.600 0.010 0.000 1.361 317 M HN 0.430 nan 8.290 nan 0.000 0.408 318 L N 0.269 121.497 121.223 0.009 0.000 2.056 318 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 318 L C 2.327 179.205 176.870 0.013 0.000 1.078 318 L CA 1.861 56.708 54.840 0.012 0.000 0.749 318 L CB -0.928 41.135 42.059 0.006 0.000 0.901 318 L HN 0.430 nan 8.230 nan 0.000 0.433 319 R N 0.056 120.562 120.500 0.009 0.000 2.096 319 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 319 R C 2.395 178.703 176.300 0.013 0.000 1.127 319 R CA 1.714 57.820 56.100 0.010 0.000 0.968 319 R CB -0.054 30.250 30.300 0.007 0.000 0.861 319 R HN 0.340 nan 8.270 nan 0.000 0.440 320 K N -0.186 120.222 120.400 0.013 0.000 2.116 320 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 320 K C 1.698 178.310 176.600 0.020 0.000 1.052 320 K CA 0.765 57.061 56.287 0.014 0.000 0.952 320 K CB 0.183 32.688 32.500 0.009 0.000 0.729 320 K HN 0.059 nan 8.250 nan 0.000 0.446 321 L N 0.852 122.090 121.223 0.024 0.000 2.130 321 L HA -0.037 4.303 4.340 -0.000 0.000 0.200 321 L C 2.166 179.062 176.870 0.043 0.000 1.075 321 L CA 0.889 55.751 54.840 0.036 0.000 0.768 321 L CB -0.983 41.101 42.059 0.042 0.000 0.933 321 L HN 0.147 nan 8.230 nan 0.000 0.451 322 L N 0.768 122.013 121.223 0.037 0.000 2.064 322 L HA -0.191 4.149 4.340 -0.000 0.000 0.216 322 L C -0.654 176.239 176.870 0.038 0.000 1.077 322 L CA 2.239 57.101 54.840 0.037 0.000 0.766 322 L CB -1.590 40.485 42.059 0.027 0.000 0.890 322 L HN 0.197 nan 8.230 nan 0.000 0.435 323 P HA -0.094 nan 4.420 nan 0.000 0.230 323 P C 0.111 177.434 177.300 0.038 0.000 1.158 323 P CA 0.832 63.952 63.100 0.032 0.000 0.769 323 P CB 0.030 31.746 31.700 0.027 0.000 0.807 324 Q N -0.662 119.165 119.800 0.046 0.000 2.237 324 Q HA 0.496 4.836 4.340 -0.000 0.000 0.219 324 Q C 0.593 176.633 176.000 0.067 0.000 0.999 324 Q CA -0.810 55.027 55.803 0.056 0.000 0.959 324 Q CB 0.240 29.015 28.738 0.062 0.000 1.173 324 Q HN -0.093 nan 8.270 nan 0.000 0.527 325 A N 1.536 124.401 122.820 0.075 0.000 1.817 325 A HA -0.253 4.067 4.320 -0.000 0.000 0.244 325 A C -0.110 177.522 177.584 0.080 0.000 1.188 325 A CA 1.202 53.286 52.037 0.079 0.000 0.809 325 A CB -1.124 17.937 19.000 0.102 0.000 1.067 325 A HN 0.702 nan 8.150 nan 0.000 0.331 326 D N -0.294 120.146 120.400 0.066 0.000 2.414 326 D HA 0.119 4.759 4.640 -0.000 0.000 0.237 326 D C -0.698 175.635 176.300 0.054 0.000 0.975 326 D CA 0.851 54.890 54.000 0.064 0.000 0.917 326 D CB -0.631 40.202 40.800 0.056 0.000 1.061 326 D HN 0.377 nan 8.370 nan 0.000 0.480 327 P HA -0.220 nan 4.420 nan 0.000 0.295 327 P C -0.371 176.952 177.300 0.039 0.000 1.901 327 P CA 0.915 64.038 63.100 0.038 0.000 1.713 327 P CB 0.064 31.784 31.700 0.034 0.000 0.318 328 E N -0.858 119.362 120.200 0.034 0.000 3.012 328 E HA 0.361 4.711 4.350 -0.000 0.000 0.228 328 E C 0.853 177.473 176.600 0.033 0.000 1.184 328 E CA -0.030 56.390 56.400 0.034 0.000 1.407 328 E CB 0.046 29.763 29.700 0.027 0.000 1.438 328 E HN 0.367 nan 8.360 nan 0.000 0.435 329 A N 0.962 123.806 122.820 0.040 0.000 2.119 329 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 329 A C 1.304 178.910 177.584 0.037 0.000 1.152 329 A CA 0.829 52.887 52.037 0.036 0.000 0.708 329 A CB 0.114 19.140 19.000 0.042 0.000 0.805 329 A HN 0.310 nan 8.150 nan 0.000 0.460 330 K N -4.039 116.392 120.400 0.051 0.000 3.218 330 K HA -0.151 4.169 4.320 -0.000 0.000 0.337 330 K C 0.077 176.731 176.600 0.090 0.000 0.705 330 K CA 1.484 57.807 56.287 0.060 0.000 1.482 330 K CB -1.899 30.626 32.500 0.042 0.000 1.173 330 K HN 1.409 nan 8.250 nan 0.000 0.488 331 A N 0.330 123.205 122.820 0.091 0.000 2.491 331 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 331 A C -1.059 176.614 177.584 0.147 0.000 1.047 331 A CA -0.620 51.512 52.037 0.158 0.000 0.735 331 A CB 1.059 20.112 19.000 0.089 0.000 1.281 331 A HN 0.103 nan 8.150 nan 0.000 0.398 332 I N 2.810 123.518 120.570 0.230 0.000 2.304 332 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 332 I C -0.742 175.563 176.117 0.314 0.000 1.018 332 I CA -0.696 60.729 61.300 0.209 0.000 1.260 332 I CB 1.585 39.687 38.000 0.171 0.000 1.390 332 I HN 0.333 nan 8.210 nan 0.000 0.475 333 V N 8.015 128.082 119.914 0.255 0.000 2.380 333 V HA 0.461 4.581 4.120 -0.000 0.000 0.286 333 V C -0.173 176.230 176.094 0.515 0.000 1.015 333 V CA -0.447 62.065 62.300 0.354 0.000 0.834 333 V CB 1.412 33.275 31.823 0.065 0.000 1.009 333 V HN 0.503 nan 8.190 nan 0.000 0.428 334 L N 4.899 126.440 121.223 0.530 0.000 2.341 334 L HA 0.735 5.075 4.340 -0.000 0.000 0.267 334 L C -0.931 176.003 176.870 0.107 0.000 1.009 334 L CA -0.947 54.120 54.840 0.380 0.000 0.819 334 L CB 2.330 44.507 42.059 0.196 0.000 1.323 334 L HN 0.450 nan 8.230 nan 0.000 0.425 335 L N 1.597 122.642 121.223 -0.297 0.000 2.356 335 L HA 0.563 4.903 4.340 -0.000 0.000 0.277 335 L C -1.236 175.475 176.870 -0.266 0.000 0.996 335 L CA 0.166 54.651 54.840 -0.591 0.000 0.822 335 L CB 1.580 42.857 42.059 -1.303 0.000 1.256 335 L HN 0.519 nan 8.230 nan 0.000 0.413 336 D N 5.949 126.238 120.400 -0.185 0.000 2.400 336 D HA 0.417 5.057 4.640 -0.000 0.000 0.272 336 D C -2.059 174.175 176.300 -0.110 0.000 1.220 336 D CA -1.919 52.017 54.000 -0.107 0.000 0.897 336 D CB 1.723 42.489 40.800 -0.056 0.000 1.134 336 D HN 0.259 nan 8.370 nan 0.000 0.507 337 P HA -0.177 nan 4.420 nan 0.000 0.220 337 P C 0.520 177.773 177.300 -0.078 0.000 1.155 337 P CA 1.237 64.277 63.100 -0.101 0.000 0.880 337 P CB 0.370 32.020 31.700 -0.084 0.000 0.790 338 E N -1.195 118.968 120.200 -0.062 0.000 2.499 338 E HA 0.222 4.572 4.350 -0.000 0.000 0.199 338 E C 1.011 177.587 176.600 -0.040 0.000 1.016 338 E CA -0.054 56.315 56.400 -0.052 0.000 0.933 338 E CB -0.266 29.411 29.700 -0.038 0.000 1.050 338 E HN 0.120 nan 8.360 nan 0.000 0.462 339 G N 0.226 109.002 108.800 -0.039 0.000 2.491 339 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.242 339 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.242 339 G C -0.562 174.340 174.900 0.004 0.000 1.266 339 G CA -0.188 44.907 45.100 -0.007 0.000 0.844 339 G HN 0.256 nan 8.290 nan 0.000 0.571 340 H N 2.519 121.562 119.070 -0.045 0.000 2.800 340 H HA 0.264 4.820 4.556 -0.000 0.000 0.291 340 H C -1.422 173.873 175.328 -0.055 0.000 1.076 340 H CA -1.559 54.460 56.048 -0.048 0.000 1.452 340 H CB 1.582 31.320 29.762 -0.040 0.000 1.461 340 H HN 0.177 nan 8.280 nan 0.000 0.488 341 P HA -0.059 nan 4.420 nan 0.000 0.225 341 P C 1.251 178.616 177.300 0.107 0.000 1.148 341 P CA 1.174 64.292 63.100 0.031 0.000 0.779 341 P CB 0.350 32.010 31.700 -0.066 0.000 0.780 342 G N -0.406 108.598 108.800 0.340 0.000 2.712 342 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.212 342 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.212 342 G C 1.202 176.100 174.900 -0.004 0.000 1.142 342 G CA 0.677 45.857 45.100 0.134 0.000 0.789 342 G HN 0.376 nan 8.290 nan 0.000 0.535 343 V N -1.766 118.147 119.914 -0.002 0.000 3.604 343 V HA 0.255 4.375 4.120 -0.000 0.000 0.277 343 V C 2.313 178.404 176.094 -0.005 0.000 1.399 343 V CA 0.985 63.260 62.300 -0.041 0.000 1.034 343 V CB -0.004 31.766 31.823 -0.087 0.000 0.824 343 V HN 0.352 nan 8.190 nan 0.000 0.439 344 M N 1.038 120.646 119.600 0.014 0.000 2.279 344 M HA 0.166 4.646 4.480 -0.000 0.000 0.264 344 M C 1.990 178.296 176.300 0.010 0.000 1.062 344 M CA 2.305 57.612 55.300 0.012 0.000 1.099 344 M CB -1.267 31.337 32.600 0.005 0.000 1.394 344 M HN 0.270 nan 8.290 nan 0.000 0.426 345 G N 1.638 110.442 108.800 0.006 0.000 2.421 345 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 345 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 345 G C 1.514 176.420 174.900 0.010 0.000 1.171 345 G CA 0.974 46.079 45.100 0.008 0.000 0.775 345 G HN 0.512 nan 8.290 nan 0.000 0.543 346 I N 0.356 120.931 120.570 0.008 0.000 2.315 346 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 346 I C 2.703 178.828 176.117 0.013 0.000 1.117 346 I CA 0.278 61.584 61.300 0.011 0.000 1.404 346 I CB -0.004 38.000 38.000 0.008 0.000 1.071 346 I HN 0.020 nan 8.210 nan 0.000 0.419 347 V N 0.911 120.833 119.914 0.012 0.000 2.427 347 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 347 V C 2.665 178.773 176.094 0.024 0.000 1.051 347 V CA 1.910 64.220 62.300 0.017 0.000 1.048 347 V CB -0.962 30.871 31.823 0.017 0.000 0.666 347 V HN 0.487 nan 8.190 nan 0.000 0.456 348 A N -0.520 122.315 122.820 0.025 0.000 1.930 348 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 348 A C 2.489 180.083 177.584 0.016 0.000 1.175 348 A CA 2.048 54.101 52.037 0.027 0.000 0.627 348 A CB -0.597 18.415 19.000 0.020 0.000 0.815 348 A HN 0.492 nan 8.150 nan 0.000 0.443 349 S N -0.380 115.329 115.700 0.013 0.000 2.368 349 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 349 S C 2.052 176.664 174.600 0.020 0.000 1.030 349 S CA 1.406 59.615 58.200 0.015 0.000 0.999 349 S CB -0.291 62.921 63.200 0.021 0.000 0.844 349 S HN 0.618 nan 8.310 nan 0.000 0.459 350 R N 0.413 120.926 120.500 0.021 0.000 2.148 350 R HA 0.104 4.444 4.340 -0.000 0.000 0.227 350 R C 2.043 178.355 176.300 0.019 0.000 1.103 350 R CA 0.965 57.075 56.100 0.017 0.000 0.983 350 R CB -0.333 29.974 30.300 0.012 0.000 0.874 350 R HN 0.409 nan 8.270 nan 0.000 0.451 351 I N 0.616 121.201 120.570 0.026 0.000 2.333 351 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 351 I C 2.395 178.533 176.117 0.035 0.000 1.106 351 I CA 0.729 62.050 61.300 0.035 0.000 1.411 351 I CB -0.122 37.907 38.000 0.048 0.000 1.082 351 I HN 0.168 nan 8.210 nan 0.000 0.420 352 L N 0.764 122.005 121.223 0.030 0.000 2.042 352 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 352 L C 2.425 179.311 176.870 0.027 0.000 1.076 352 L CA 1.753 56.609 54.840 0.027 0.000 0.749 352 L CB -0.145 41.922 42.059 0.013 0.000 0.893 352 L HN 0.142 nan 8.230 nan 0.000 0.432 353 E N 0.329 120.543 120.200 0.024 0.000 2.106 353 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 353 E C 1.818 178.431 176.600 0.022 0.000 0.984 353 E CA 1.252 57.666 56.400 0.022 0.000 0.806 353 E CB -0.202 29.508 29.700 0.016 0.000 0.750 353 E HN 0.575 nan 8.360 nan 0.000 0.458 354 A N -0.973 121.860 122.820 0.021 0.000 2.276 354 A HA 0.091 4.411 4.320 -0.000 0.000 0.212 354 A C 1.469 179.072 177.584 0.031 0.000 1.230 354 A CA 1.146 53.196 52.037 0.022 0.000 0.844 354 A CB -0.013 18.997 19.000 0.017 0.000 0.860 354 A HN 0.189 nan 8.150 nan 0.000 0.486 355 T N -1.729 112.846 114.554 0.035 0.000 3.123 355 T HA 0.176 4.526 4.350 -0.000 0.000 0.266 355 T C -0.165 174.561 174.700 0.044 0.000 0.873 355 T CA -0.105 62.020 62.100 0.041 0.000 0.854 355 T CB -0.010 68.886 68.868 0.047 0.000 1.254 355 T HN 0.241 nan 8.240 nan 0.000 0.570 356 L N 2.804 124.051 121.223 0.041 0.000 3.762 356 L HA -0.151 4.189 4.340 -0.000 0.000 0.460 356 L C -0.328 176.569 176.870 0.045 0.000 1.255 356 L CA 1.104 55.969 54.840 0.041 0.000 0.783 356 L CB -1.524 40.562 42.059 0.044 0.000 1.600 356 L HN 0.313 nan 8.230 nan 0.000 0.862 357 R N -0.817 119.711 120.500 0.048 0.000 2.668 357 R HA 0.644 4.984 4.340 -0.000 0.000 0.272 357 R C -2.498 173.838 176.300 0.059 0.000 1.019 357 R CA -1.953 54.185 56.100 0.062 0.000 0.894 357 R CB 1.341 31.687 30.300 0.077 0.000 1.228 357 R HN -0.216 nan 8.270 nan 0.000 0.460 358 P HA 0.175 nan 4.420 nan 0.000 0.272 358 P C -0.574 176.759 177.300 0.054 0.000 1.223 358 P CA -0.346 62.764 63.100 0.017 0.000 0.784 358 P CB 0.639 32.382 31.700 0.072 0.000 0.923 359 V N 3.123 122.980 119.914 -0.094 0.000 2.588 359 V HA 0.460 4.580 4.120 -0.000 0.000 0.304 359 V C -0.680 175.361 176.094 -0.088 0.000 1.042 359 V CA -0.287 62.036 62.300 0.038 0.000 0.877 359 V CB 1.148 32.999 31.823 0.047 0.000 0.996 359 V HN 0.326 nan 8.190 nan 0.000 0.425 360 F N 5.192 125.266 119.950 0.206 0.000 2.477 360 F HA 0.737 5.264 4.527 -0.000 0.000 0.335 360 F C -0.458 175.547 175.800 0.341 0.000 1.130 360 F CA -0.676 57.523 58.000 0.331 0.000 0.948 360 F CB 1.700 40.962 39.000 0.436 0.000 1.154 360 F HN 0.176 nan 8.300 nan 0.000 0.439 361 L N 3.529 125.002 121.223 0.416 0.000 2.354 361 L HA 0.813 5.153 4.340 -0.000 0.000 0.269 361 L C -0.778 176.188 176.870 0.160 0.000 1.005 361 L CA -1.057 53.941 54.840 0.263 0.000 0.819 361 L CB 2.294 44.431 42.059 0.129 0.000 1.311 361 L HN 0.306 nan 8.230 nan 0.000 0.423 362 V N 1.373 121.330 119.914 0.072 0.000 2.686 362 V HA 0.948 5.068 4.120 -0.000 0.000 0.306 362 V C -0.737 175.285 176.094 -0.120 0.000 1.065 362 V CA -0.672 61.587 62.300 -0.068 0.000 0.894 362 V CB 1.751 33.578 31.823 0.006 0.000 1.004 362 V HN 0.877 nan 8.190 nan 0.000 0.424 363 A N 3.154 125.891 122.820 -0.137 0.000 2.488 363 A HA 0.708 5.028 4.320 -0.000 0.000 0.295 363 A C -0.206 177.306 177.584 -0.120 0.000 1.045 363 A CA -0.425 51.543 52.037 -0.115 0.000 0.703 363 A CB 1.521 20.473 19.000 -0.080 0.000 1.271 363 A HN 0.943 nan 8.150 nan 0.000 0.400 364 Q N 0.873 120.609 119.800 -0.107 0.000 2.453 364 Q HA -0.256 4.084 4.340 -0.000 0.000 0.294 364 Q C 1.156 177.096 176.000 -0.099 0.000 1.295 364 Q CA 1.704 57.448 55.803 -0.098 0.000 0.853 364 Q CB -1.614 27.059 28.738 -0.108 0.000 1.193 364 Q HN 2.600 nan 8.270 nan 0.000 0.461 365 G N -1.106 107.633 108.800 -0.102 0.000 2.189 365 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 365 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 365 G C -0.013 174.795 174.900 -0.152 0.000 0.975 365 G CA 0.742 45.784 45.100 -0.097 0.000 0.644 365 G HN 0.163 nan 8.290 nan 0.000 0.537 366 K N 0.345 120.625 120.400 -0.200 0.000 2.156 366 K HA 0.738 5.058 4.320 -0.000 0.000 0.254 366 K C 0.378 176.683 176.600 -0.492 0.000 0.950 366 K CA 0.076 56.191 56.287 -0.287 0.000 0.849 366 K CB 1.819 34.204 32.500 -0.192 0.000 1.100 366 K HN 0.545 nan 8.250 nan 0.000 0.434 367 G N -0.320 107.951 108.800 -0.882 0.000 2.571 367 G HA2 0.510 4.470 3.960 -0.000 0.000 0.304 367 G HA3 0.510 4.470 3.960 -0.000 0.000 0.304 367 G C -1.206 173.269 174.900 -0.708 0.000 1.314 367 G CA -0.308 43.991 45.100 -1.336 0.000 0.975 367 G HN 0.361 nan 8.290 nan 0.000 0.485 368 T N -0.415 114.028 114.554 -0.186 0.000 2.900 368 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 368 T C -1.124 173.676 174.700 0.167 0.000 1.044 368 T CA -0.339 61.783 62.100 0.036 0.000 0.995 368 T CB 1.680 70.544 68.868 -0.007 0.000 1.072 368 T HN 0.558 nan 8.240 nan 0.000 0.473 369 V N 5.216 125.182 119.914 0.087 0.000 2.709 369 V HA 0.751 4.871 4.120 -0.000 0.000 0.308 369 V C -0.661 175.330 176.094 -0.171 0.000 1.062 369 V CA -1.045 61.174 62.300 -0.135 0.000 0.901 369 V CB 2.053 33.737 31.823 -0.232 0.000 1.003 369 V HN 0.741 nan 8.190 nan 0.000 0.425 370 R N 1.991 122.356 120.500 -0.225 0.000 2.532 370 R HA 0.812 5.152 4.340 -0.000 0.000 0.297 370 R C -0.629 175.565 176.300 -0.176 0.000 0.984 370 R CA -0.334 55.684 56.100 -0.136 0.000 0.884 370 R CB 1.940 32.201 30.300 -0.064 0.000 1.182 370 R HN 0.812 nan 8.270 nan 0.000 0.442 371 S N 2.390 118.018 115.700 -0.120 0.000 2.685 371 S HA 0.858 5.328 4.470 -0.000 0.000 0.282 371 S C -1.014 173.568 174.600 -0.031 0.000 1.159 371 S CA -0.689 57.456 58.200 -0.092 0.000 0.833 371 S CB 1.243 64.377 63.200 -0.111 0.000 1.151 371 S HN 0.540 nan 8.310 nan 0.000 0.485 372 L N -0.563 120.650 121.223 -0.018 0.000 2.630 372 L HA 0.903 5.243 4.340 -0.000 0.000 0.249 372 L C 0.500 177.365 176.870 -0.010 0.000 1.130 372 L CA -0.579 54.261 54.840 -0.001 0.000 0.987 372 L CB 0.447 42.513 42.059 0.011 0.000 1.575 372 L HN 1.276 nan 8.230 nan 0.000 0.386 373 A N 0.271 123.094 122.820 0.005 0.000 5.578 373 A HA -0.203 4.117 4.320 -0.000 0.000 0.312 373 A C -1.525 176.047 177.584 -0.019 0.000 1.861 373 A CA 1.284 53.325 52.037 0.006 0.000 0.719 373 A CB -3.332 15.677 19.000 0.014 0.000 1.323 373 A HN 0.945 nan 8.150 nan 0.000 0.387 374 P HA 0.294 nan 4.420 nan 0.000 0.255 374 P C 0.030 177.113 177.300 -0.363 0.000 1.248 374 P CA 0.618 63.667 63.100 -0.083 0.000 0.807 374 P CB -0.237 31.505 31.700 0.070 0.000 1.150 375 I N 0.795 121.175 120.570 -0.318 0.000 2.281 375 I HA 0.099 4.269 4.170 -0.000 0.000 0.293 375 I C 0.827 176.870 176.117 -0.125 0.000 1.085 375 I CA -0.522 60.558 61.300 -0.367 0.000 1.257 375 I CB 0.623 38.512 38.000 -0.185 0.000 1.430 375 I HN -0.101 nan 8.210 nan 0.000 0.489 376 S N 4.962 120.613 115.700 -0.081 0.000 2.488 376 S HA 0.265 4.735 4.470 -0.000 0.000 0.278 376 S C 1.335 175.954 174.600 0.033 0.000 1.259 376 S CA -0.046 58.162 58.200 0.013 0.000 1.061 376 S CB 1.055 64.289 63.200 0.056 0.000 0.910 376 S HN 0.718 nan 8.310 nan 0.000 0.491 377 A N 5.436 128.256 122.820 0.000 0.000 1.865 377 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 377 A C 2.248 179.838 177.584 0.009 0.000 1.191 377 A CA 1.913 53.928 52.037 -0.035 0.000 0.623 377 A CB -1.239 17.699 19.000 -0.104 0.000 0.826 377 A HN 1.008 nan 8.150 nan 0.000 0.444 378 V N -0.276 119.654 119.914 0.026 0.000 2.626 378 V HA -0.166 3.954 4.120 -0.000 0.000 0.252 378 V C 2.345 178.471 176.094 0.054 0.000 1.067 378 V CA 2.716 65.068 62.300 0.086 0.000 1.081 378 V CB -0.377 31.509 31.823 0.104 0.000 0.686 378 V HN 0.677 nan 8.190 nan 0.000 0.468 379 E N 0.140 120.336 120.200 -0.005 0.000 2.208 379 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 379 E C 2.101 178.387 176.600 -0.524 0.000 0.988 379 E CA 1.251 57.594 56.400 -0.094 0.000 0.828 379 E CB -0.342 29.401 29.700 0.072 0.000 0.763 379 E HN 0.668 nan 8.360 nan 0.000 0.478 380 A N 0.193 122.679 122.820 -0.557 0.000 1.898 380 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 380 A C 2.124 179.399 177.584 -0.516 0.000 1.181 380 A CA 0.955 52.462 52.037 -0.883 0.000 0.620 380 A CB -0.551 18.407 19.000 -0.070 0.000 0.819 380 A HN 0.286 nan 8.150 nan 0.000 0.442 381 L N -1.160 119.909 121.223 -0.257 0.000 2.093 381 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 381 L C 2.750 179.287 176.870 -0.555 0.000 1.085 381 L CA 1.595 56.227 54.840 -0.346 0.000 0.755 381 L CB -0.469 41.427 42.059 -0.272 0.000 0.904 381 L HN 0.449 nan 8.230 nan 0.000 0.435 382 R N 0.364 120.646 120.500 -0.364 0.000 2.120 382 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 382 R C 2.520 178.684 176.300 -0.227 0.000 1.123 382 R CA 1.534 57.500 56.100 -0.223 0.000 0.975 382 R CB -0.075 30.230 30.300 0.009 0.000 0.866 382 R HN 0.408 nan 8.270 nan 0.000 0.446 383 S N -1.144 114.372 115.700 -0.308 0.000 2.481 383 S HA 0.032 4.502 4.470 -0.000 0.000 0.231 383 S C 1.367 175.847 174.600 -0.201 0.000 0.996 383 S CA 0.672 58.742 58.200 -0.217 0.000 0.942 383 S CB 0.532 63.587 63.200 -0.242 0.000 0.768 383 S HN 0.368 nan 8.310 nan 0.000 0.520 384 A N 1.134 123.793 122.820 -0.268 0.000 2.571 384 A HA 0.350 4.670 4.320 -0.000 0.000 0.274 384 A C 1.619 179.090 177.584 -0.190 0.000 1.196 384 A CA 0.260 52.177 52.037 -0.201 0.000 0.957 384 A CB -0.174 18.693 19.000 -0.222 0.000 1.150 384 A HN 0.678 nan 8.150 nan 0.000 0.539 385 E N 1.764 121.793 120.200 -0.285 0.000 2.147 385 E HA -0.342 4.008 4.350 -0.000 0.000 0.199 385 E C 1.112 177.656 176.600 -0.093 0.000 1.005 385 E CA 1.715 57.930 56.400 -0.308 0.000 0.810 385 E CB -0.675 28.892 29.700 -0.222 0.000 0.736 385 E HN 0.662 nan 8.360 nan 0.000 0.460 386 D N 1.158 121.530 120.400 -0.047 0.000 2.182 386 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 386 D C 1.876 178.180 176.300 0.006 0.000 0.986 386 D CA 0.782 54.780 54.000 -0.003 0.000 0.847 386 D CB -0.242 40.556 40.800 -0.003 0.000 0.942 386 D HN 0.263 nan 8.370 nan 0.000 0.467 387 L N 0.160 121.381 121.223 -0.003 0.000 2.552 387 L HA 0.191 4.531 4.340 -0.000 0.000 0.227 387 L C 0.847 177.734 176.870 0.028 0.000 1.146 387 L CA 0.481 55.336 54.840 0.026 0.000 0.858 387 L CB -0.780 41.316 42.059 0.061 0.000 0.969 387 L HN 0.088 nan 8.230 nan 0.000 0.451 388 L N -1.911 119.320 121.223 0.013 0.000 2.334 388 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 388 L C 1.101 178.039 176.870 0.113 0.000 1.020 388 L CA -0.584 54.292 54.840 0.060 0.000 0.812 388 L CB 1.329 43.401 42.059 0.021 0.000 1.264 388 L HN -0.125 nan 8.230 nan 0.000 0.439 389 L N 0.556 121.858 121.223 0.132 0.000 2.202 389 L HA 0.183 4.523 4.340 -0.000 0.000 0.205 389 L C 0.482 177.440 176.870 0.147 0.000 1.083 389 L CA 0.858 55.767 54.840 0.116 0.000 0.790 389 L CB -0.051 42.060 42.059 0.086 0.000 0.942 389 L HN 0.640 nan 8.230 nan 0.000 0.452 390 R N -1.276 119.346 120.500 0.203 0.000 2.680 390 R HA 0.541 4.881 4.340 -0.000 0.000 0.269 390 R C -1.733 174.786 176.300 0.365 0.000 1.026 390 R CA -0.664 55.564 56.100 0.213 0.000 0.889 390 R CB 2.045 32.426 30.300 0.136 0.000 1.241 390 R HN -0.005 nan 8.270 nan 0.000 0.463 391 Y N -1.761 118.612 120.300 0.122 0.000 2.732 391 Y HA 0.755 5.305 4.550 -0.000 0.000 0.342 391 Y C -1.012 174.949 175.900 0.102 0.000 1.203 391 Y CA -0.617 57.572 58.100 0.149 0.000 1.092 391 Y CB 1.304 39.833 38.460 0.115 0.000 1.345 391 Y HN 0.922 nan 8.280 nan 0.000 0.458 392 G N -0.206 108.665 108.800 0.118 0.000 2.340 392 G HA2 0.672 4.631 3.960 -0.000 0.000 0.300 392 G HA3 0.672 4.631 3.960 -0.000 0.000 0.300 392 G C -0.732 174.207 174.900 0.066 0.000 1.488 392 G CA 0.040 45.115 45.100 -0.042 0.000 0.878 392 G HN 2.374 nan 8.290 nan 0.000 0.618 393 G N -0.176 108.639 108.800 0.026 0.000 2.350 393 G HA2 0.634 4.594 3.960 -0.000 0.000 0.276 393 G HA3 0.634 4.594 3.960 -0.000 0.000 0.276 393 G C -0.599 174.294 174.900 -0.011 0.000 1.313 393 G CA 0.456 45.526 45.100 -0.049 0.000 0.903 393 G HN 1.837 nan 8.290 nan 0.000 0.490 394 H N -0.832 118.259 119.070 0.035 0.000 3.379 394 H HA 0.559 5.115 4.556 -0.000 0.000 0.298 394 H C 0.816 176.157 175.328 0.023 0.000 1.672 394 H CA -0.324 55.738 56.048 0.023 0.000 1.446 394 H CB 0.749 30.512 29.762 0.002 0.000 1.710 394 H HN 0.460 nan 8.280 nan 0.000 0.791 395 K N -0.375 120.164 120.400 0.232 0.000 2.211 395 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 395 K C 1.214 177.873 176.600 0.099 0.000 1.050 395 K CA 1.350 57.710 56.287 0.123 0.000 0.945 395 K CB 0.267 32.828 32.500 0.101 0.000 0.732 395 K HN 0.470 nan 8.250 nan 0.000 0.451 396 E N -0.616 119.714 120.200 0.218 0.000 2.413 396 E HA 0.145 4.495 4.350 -0.000 0.000 0.203 396 E C 0.103 176.695 176.600 -0.014 0.000 0.957 396 E CA 0.162 56.634 56.400 0.120 0.000 0.950 396 E CB 1.065 30.875 29.700 0.183 0.000 0.957 396 E HN 0.147 nan 8.360 nan 0.000 0.497 397 A N 0.643 123.317 122.820 -0.243 0.000 2.572 397 A HA 0.804 5.124 4.320 -0.000 0.000 0.295 397 A C -1.332 175.991 177.584 -0.435 0.000 1.072 397 A CA -0.024 51.829 52.037 -0.307 0.000 0.691 397 A CB 1.953 20.838 19.000 -0.192 0.000 1.291 397 A HN 0.068 nan 8.150 nan 0.000 0.404 398 A N -0.071 122.644 122.820 -0.175 0.000 2.608 398 A HA 0.918 5.238 4.320 -0.000 0.000 0.292 398 A C -0.281 177.371 177.584 0.113 0.000 1.066 398 A CA -0.006 52.006 52.037 -0.041 0.000 0.676 398 A CB 1.131 20.149 19.000 0.030 0.000 1.277 398 A HN 2.364 nan 8.150 nan 0.000 0.413 399 G N -0.746 108.175 108.800 0.202 0.000 2.642 399 G HA2 0.969 4.929 3.960 -0.000 0.000 0.293 399 G HA3 0.969 4.929 3.960 -0.000 0.000 0.293 399 G C -0.938 174.224 174.900 0.437 0.000 1.341 399 G CA -0.183 45.065 45.100 0.247 0.000 0.916 399 G HN 1.896 nan 8.290 nan 0.000 0.474 400 F N -1.787 118.208 119.950 0.075 0.000 2.817 400 F HA 0.854 5.381 4.527 -0.000 0.000 0.317 400 F C -0.566 175.248 175.800 0.025 0.000 1.168 400 F CA -1.461 56.587 58.000 0.080 0.000 0.911 400 F CB 1.248 40.295 39.000 0.079 0.000 1.337 400 F HN 0.920 nan 8.300 nan 0.000 0.464 401 A N 2.136 125.040 122.820 0.140 0.000 2.435 401 A HA 0.919 5.239 4.320 -0.000 0.000 0.304 401 A C -1.147 176.508 177.584 0.118 0.000 1.064 401 A CA -0.676 51.364 52.037 0.004 0.000 0.727 401 A CB 2.023 21.041 19.000 0.030 0.000 1.284 401 A HN 1.265 nan 8.150 nan 0.000 0.415 402 M N 1.811 121.435 119.600 0.040 0.000 2.569 402 M HA 0.229 4.709 4.480 -0.000 0.000 0.287 402 M C -2.182 174.138 176.300 0.033 0.000 1.130 402 M CA -0.554 54.790 55.300 0.074 0.000 0.885 402 M CB 1.764 34.439 32.600 0.126 0.000 1.759 402 M HN 0.813 nan 8.290 nan 0.000 0.515 403 D N 3.061 123.487 120.400 0.043 0.000 2.417 403 D HA 0.063 4.703 4.640 -0.000 0.000 0.250 403 D C 0.430 176.763 176.300 0.056 0.000 1.166 403 D CA 0.605 54.626 54.000 0.036 0.000 0.881 403 D CB 1.031 41.854 40.800 0.039 0.000 1.164 403 D HN 0.728 nan 8.370 nan 0.000 0.467 404 E N 2.459 122.683 120.200 0.039 0.000 2.331 404 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 404 E C 1.682 178.349 176.600 0.111 0.000 1.008 404 E CA 0.736 57.174 56.400 0.063 0.000 0.843 404 E CB 0.100 29.797 29.700 -0.005 0.000 0.761 404 E HN 0.578 nan 8.360 nan 0.000 0.507 405 A N 0.838 123.707 122.820 0.082 0.000 2.019 405 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 405 A C 1.962 179.617 177.584 0.118 0.000 1.164 405 A CA 0.816 52.905 52.037 0.087 0.000 0.644 405 A CB -0.257 18.777 19.000 0.057 0.000 0.805 405 A HN 0.169 nan 8.150 nan 0.000 0.449 406 L N -1.595 119.705 121.223 0.128 0.000 2.591 406 L HA 0.088 4.428 4.340 -0.000 0.000 0.228 406 L C 1.910 178.900 176.870 0.200 0.000 1.133 406 L CA -0.171 54.748 54.840 0.132 0.000 0.880 406 L CB -0.344 41.775 42.059 0.101 0.000 1.033 406 L HN 0.453 nan 8.230 nan 0.000 0.450 407 F N 2.657 122.665 119.950 0.098 0.000 2.065 407 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 407 F C -0.487 175.413 175.800 0.166 0.000 1.112 407 F CA 1.806 59.899 58.000 0.155 0.000 1.212 407 F CB -1.299 37.769 39.000 0.113 0.000 0.975 407 F HN 0.086 nan 8.300 nan 0.000 0.476 408 P HA -0.191 nan 4.420 nan 0.000 0.216 408 P C 1.429 178.649 177.300 -0.133 0.000 1.150 408 P CA 2.468 65.516 63.100 -0.087 0.000 0.843 408 P CB -0.336 31.394 31.700 0.050 0.000 0.787 409 A N -1.670 121.121 122.820 -0.049 0.000 1.968 409 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 409 A C 2.026 179.551 177.584 -0.098 0.000 1.169 409 A CA 0.918 52.922 52.037 -0.056 0.000 0.638 409 A CB -1.662 17.337 19.000 -0.002 0.000 0.812 409 A HN 0.147 nan 8.150 nan 0.000 0.446 410 F N 0.831 120.648 119.950 -0.223 0.000 2.113 410 F HA -0.083 4.444 4.527 -0.000 0.000 0.297 410 F C 2.085 177.651 175.800 -0.391 0.000 1.103 410 F CA 2.063 59.898 58.000 -0.275 0.000 1.248 410 F CB -0.268 38.611 39.000 -0.203 0.000 0.999 410 F HN 0.188 nan 8.300 nan 0.000 0.475 411 K N 0.423 120.475 120.400 -0.580 0.000 2.001 411 K HA -0.231 4.089 4.320 -0.000 0.000 0.214 411 K C 2.295 178.596 176.600 -0.499 0.000 1.050 411 K CA 1.712 57.611 56.287 -0.648 0.000 0.934 411 K CB -0.677 31.456 32.500 -0.612 0.000 0.718 411 K HN 0.323 nan 8.250 nan 0.000 0.443 412 A N 1.154 123.770 122.820 -0.339 0.000 1.908 412 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 412 A C 2.113 179.540 177.584 -0.261 0.000 1.181 412 A CA 1.958 53.852 52.037 -0.239 0.000 0.627 412 A CB -0.654 18.250 19.000 -0.159 0.000 0.818 412 A HN 0.341 nan 8.150 nan 0.000 0.445 413 R N 0.071 120.381 120.500 -0.317 0.000 2.097 413 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 413 R C 2.212 178.305 176.300 -0.345 0.000 1.135 413 R CA 2.509 58.430 56.100 -0.299 0.000 0.934 413 R CB -1.184 28.916 30.300 -0.332 0.000 0.846 413 R HN 0.602 nan 8.270 nan 0.000 0.431 414 V N -1.208 118.324 119.914 -0.637 0.000 2.358 414 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 414 V C 1.712 177.607 176.094 -0.332 0.000 1.047 414 V CA 2.026 63.953 62.300 -0.621 0.000 1.035 414 V CB -0.697 30.318 31.823 -1.347 0.000 0.658 414 V HN 0.370 nan 8.190 nan 0.000 0.452 415 E N 1.407 121.404 120.200 -0.338 0.000 2.118 415 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 415 E C 2.319 178.868 176.600 -0.084 0.000 0.992 415 E CA 1.566 57.864 56.400 -0.171 0.000 0.804 415 E CB -0.356 29.248 29.700 -0.159 0.000 0.741 415 E HN 0.763 nan 8.360 nan 0.000 0.458 416 A N 0.505 123.272 122.820 -0.090 0.000 1.975 416 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 416 A C 1.936 179.525 177.584 0.007 0.000 1.170 416 A CA 0.650 52.660 52.037 -0.045 0.000 0.656 416 A CB -0.494 18.472 19.000 -0.056 0.000 0.821 416 A HN 0.348 nan 8.150 nan 0.000 0.449 417 Y N 0.884 121.139 120.300 -0.074 0.000 2.145 417 Y HA -0.106 4.444 4.550 -0.000 0.000 0.286 417 Y C 2.535 178.537 175.900 0.170 0.000 1.145 417 Y CA 1.360 59.474 58.100 0.024 0.000 1.148 417 Y CB -0.472 37.970 38.460 -0.031 0.000 0.981 417 Y HN 0.283 nan 8.280 nan 0.000 0.507 418 A N 0.381 123.264 122.820 0.105 0.000 2.015 418 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 418 A C 2.285 179.935 177.584 0.110 0.000 1.163 418 A CA 1.429 53.531 52.037 0.109 0.000 0.646 418 A CB -1.336 17.739 19.000 0.125 0.000 0.806 418 A HN 0.594 nan 8.150 nan 0.000 0.448 419 A N -0.511 122.328 122.820 0.033 0.000 2.168 419 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 419 A C 2.050 179.605 177.584 -0.048 0.000 1.152 419 A CA 1.002 53.040 52.037 0.002 0.000 0.716 419 A CB -0.382 18.605 19.000 -0.022 0.000 0.794 419 A HN 0.538 nan 8.150 nan 0.000 0.465 420 R N -1.628 118.806 120.500 -0.111 0.000 2.189 420 R HA 0.084 4.424 4.340 -0.000 0.000 0.218 420 R C -0.511 175.493 176.300 -0.493 0.000 1.074 420 R CA 0.426 56.316 56.100 -0.349 0.000 0.991 420 R CB -0.050 29.906 30.300 -0.573 0.000 0.883 420 R HN 0.501 nan 8.270 nan 0.000 0.457 421 F N 0.860 120.717 119.950 -0.155 0.000 2.440 421 F HA 0.369 4.896 4.527 -0.000 0.000 0.328 421 F C -1.646 174.120 175.800 -0.057 0.000 1.070 421 F CA -3.172 54.766 58.000 -0.103 0.000 1.011 421 F CB 0.283 39.219 39.000 -0.107 0.000 1.226 421 F HN -0.171 nan 8.300 nan 0.000 0.491 422 P HA 0.090 nan 4.420 nan 0.000 0.274 422 P C -0.949 176.411 177.300 0.099 0.000 1.237 422 P CA -0.397 62.755 63.100 0.088 0.000 0.793 422 P CB 0.694 32.436 31.700 0.071 0.000 0.977 423 D N 2.029 122.469 120.400 0.067 0.000 2.472 423 D HA 0.102 4.742 4.640 -0.000 0.000 0.237 423 D C -1.943 174.393 176.300 0.059 0.000 1.141 423 D CA -0.381 53.656 54.000 0.061 0.000 0.875 423 D CB -0.809 40.019 40.800 0.047 0.000 1.192 423 D HN 0.234 nan 8.370 nan 0.000 0.450 424 P HA 0.133 nan 4.420 nan 0.000 0.271 424 P C -0.741 176.588 177.300 0.048 0.000 1.216 424 P CA -0.322 62.806 63.100 0.045 0.000 0.776 424 P CB 0.830 32.553 31.700 0.037 0.000 0.881 425 V N 3.762 123.706 119.914 0.050 0.000 2.638 425 V HA 0.471 4.591 4.120 -0.000 0.000 0.306 425 V C -0.475 175.653 176.094 0.057 0.000 1.052 425 V CA -0.963 61.370 62.300 0.056 0.000 0.885 425 V CB 1.756 33.614 31.823 0.058 0.000 0.999 425 V HN 0.420 nan 8.190 nan 0.000 0.424 426 R N 4.514 125.053 120.500 0.066 0.000 2.312 426 R HA 0.511 4.851 4.340 -0.000 0.000 0.311 426 R C -0.327 176.023 176.300 0.082 0.000 1.004 426 R CA -0.390 55.748 56.100 0.064 0.000 0.902 426 R CB 1.254 31.591 30.300 0.063 0.000 1.073 426 R HN 0.867 nan 8.270 nan 0.000 0.457 427 E N 3.052 123.289 120.200 0.062 0.000 2.214 427 E HA 0.308 4.658 4.350 -0.000 0.000 0.274 427 E C -1.336 175.278 176.600 0.022 0.000 0.977 427 E CA -0.869 55.571 56.400 0.067 0.000 0.827 427 E CB 1.734 31.461 29.700 0.046 0.000 1.130 427 E HN 0.334 nan 8.360 nan 0.000 0.394 428 V N 2.867 122.782 119.914 0.002 0.000 2.378 428 V HA 0.466 4.586 4.120 -0.000 0.000 0.288 428 V C -0.313 175.687 176.094 -0.156 0.000 1.016 428 V CA -0.716 61.486 62.300 -0.163 0.000 0.840 428 V CB 1.163 32.704 31.823 -0.470 0.000 0.994 428 V HN 0.758 nan 8.190 nan 0.000 0.431 429 A N 6.824 129.550 122.820 -0.158 0.000 2.276 429 A HA 0.758 5.078 4.320 -0.000 0.000 0.300 429 A C -0.677 176.787 177.584 -0.199 0.000 1.235 429 A CA -0.382 51.567 52.037 -0.147 0.000 0.867 429 A CB 0.191 19.109 19.000 -0.137 0.000 1.137 429 A HN 0.609 nan 8.150 nan 0.000 0.527 430 L N 3.907 125.030 121.223 -0.168 0.000 2.282 430 L HA 0.257 4.597 4.340 -0.000 0.000 0.288 430 L C 1.414 178.178 176.870 -0.176 0.000 1.033 430 L CA -0.093 54.633 54.840 -0.189 0.000 0.807 430 L CB 0.983 42.970 42.059 -0.121 0.000 1.209 430 L HN 0.848 nan 8.230 nan 0.000 0.423 431 L N 1.396 122.458 121.223 -0.268 0.000 2.027 431 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 431 L C 0.378 177.185 176.870 -0.106 0.000 1.074 431 L CA 1.701 56.404 54.840 -0.230 0.000 0.745 431 L CB 0.388 42.163 42.059 -0.474 0.000 0.898 431 L HN 0.815 nan 8.230 nan 0.000 0.433 432 D N -3.202 117.141 120.400 -0.095 0.000 2.804 432 D HA 0.176 4.816 4.640 -0.000 0.000 0.309 432 D C -1.314 175.067 176.300 0.136 0.000 1.311 432 D CA -0.692 53.344 54.000 0.060 0.000 0.765 432 D CB 0.510 41.414 40.800 0.173 0.000 1.293 432 D HN -0.192 nan 8.370 nan 0.000 0.434 433 L N 1.115 122.379 121.223 0.068 0.000 2.456 433 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 433 L C 0.104 177.064 176.870 0.150 0.000 1.189 433 L CA -0.091 54.750 54.840 0.002 0.000 0.846 433 L CB 0.333 42.316 42.059 -0.127 0.000 1.111 433 L HN 0.489 nan 8.230 nan 0.000 0.475 434 L N 6.660 127.937 121.223 0.090 0.000 2.453 434 L HA 0.309 4.649 4.340 -0.000 0.000 0.272 434 L C -2.043 174.759 176.870 -0.113 0.000 1.182 434 L CA -0.702 54.074 54.840 -0.105 0.000 0.858 434 L CB 0.151 42.146 42.059 -0.107 0.000 1.120 434 L HN 0.513 nan 8.230 nan 0.000 0.474 435 P HA 0.068 nan 4.420 nan 0.000 0.272 435 P C -0.932 176.321 177.300 -0.079 0.000 1.254 435 P CA -0.377 62.660 63.100 -0.105 0.000 0.795 435 P CB 0.345 31.962 31.700 -0.138 0.000 1.022 436 E N 1.321 121.499 120.200 -0.037 0.000 2.404 436 E HA 0.004 4.354 4.350 -0.000 0.000 0.261 436 E C -1.550 175.018 176.600 -0.054 0.000 1.074 436 E CA -1.215 55.173 56.400 -0.020 0.000 0.917 436 E CB -0.542 29.166 29.700 0.013 0.000 0.965 436 E HN 0.288 nan 8.360 nan 0.000 0.433 437 P HA -0.178 nan 4.420 nan 0.000 0.217 437 P C 1.211 178.463 177.300 -0.079 0.000 1.148 437 P CA 1.673 64.744 63.100 -0.049 0.000 0.834 437 P CB 0.149 31.836 31.700 -0.022 0.000 0.783 438 G N -0.964 107.786 108.800 -0.083 0.000 2.471 438 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 438 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 438 G C 1.105 175.891 174.900 -0.190 0.000 1.125 438 G CA 0.324 45.348 45.100 -0.126 0.000 0.775 438 G HN 0.196 nan 8.290 nan 0.000 0.548 439 L N 0.492 121.606 121.223 -0.181 0.000 2.640 439 L HA 0.348 4.688 4.340 -0.000 0.000 0.230 439 L C 2.363 179.120 176.870 -0.188 0.000 1.123 439 L CA 0.212 54.937 54.840 -0.191 0.000 0.900 439 L CB -0.461 41.510 42.059 -0.147 0.000 1.146 439 L HN 0.239 nan 8.230 nan 0.000 0.484 440 L N 0.575 121.671 121.223 -0.212 0.000 2.046 440 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 440 L C -0.083 176.572 176.870 -0.359 0.000 1.077 440 L CA 1.442 56.146 54.840 -0.226 0.000 0.747 440 L CB -1.661 40.306 42.059 -0.155 0.000 0.896 440 L HN 0.223 nan 8.230 nan 0.000 0.432 441 P HA -0.206 nan 4.420 nan 0.000 0.215 441 P C 1.508 178.671 177.300 -0.227 0.000 1.157 441 P CA 1.147 63.748 63.100 -0.831 0.000 0.868 441 P CB 0.072 31.335 31.700 -0.729 0.000 0.788 442 Q N -0.175 119.527 119.800 -0.162 0.000 2.119 442 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 442 Q C 1.889 177.888 176.000 -0.001 0.000 0.972 442 Q CA 1.589 57.359 55.803 -0.055 0.000 0.847 442 Q CB -1.286 27.413 28.738 -0.065 0.000 0.903 442 Q HN -0.022 nan 8.270 nan 0.000 0.433 443 V N 0.422 120.325 119.914 -0.019 0.000 2.295 443 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 443 V C 2.003 178.148 176.094 0.085 0.000 1.049 443 V CA 1.911 64.227 62.300 0.027 0.000 1.024 443 V CB -0.783 31.022 31.823 -0.029 0.000 0.648 443 V HN 0.464 nan 8.190 nan 0.000 0.447 444 F N 1.313 121.261 119.950 -0.004 0.000 2.126 444 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 444 F C 2.587 178.446 175.800 0.098 0.000 1.096 444 F CA 1.778 59.834 58.000 0.092 0.000 1.255 444 F CB -0.227 38.886 39.000 0.189 0.000 0.997 444 F HN -0.027 nan 8.300 nan 0.000 0.479 445 R N 0.200 120.802 120.500 0.169 0.000 2.148 445 R HA -0.125 4.215 4.340 -0.000 0.000 0.227 445 R C 1.985 178.282 176.300 -0.005 0.000 1.103 445 R CA 1.648 57.798 56.100 0.082 0.000 0.983 445 R CB -0.431 29.947 30.300 0.131 0.000 0.874 445 R HN 0.474 nan 8.270 nan 0.000 0.451 446 E N 0.563 120.774 120.200 0.018 0.000 2.158 446 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 446 E C 1.892 178.516 176.600 0.041 0.000 0.982 446 E CA 0.573 57.011 56.400 0.063 0.000 0.823 446 E CB 0.076 29.839 29.700 0.105 0.000 0.766 446 E HN 0.279 nan 8.360 nan 0.000 0.468 447 L N 0.802 121.989 121.223 -0.061 0.000 2.291 447 L HA -0.068 4.272 4.340 -0.000 0.000 0.214 447 L C 2.551 179.335 176.870 -0.143 0.000 1.120 447 L CA 0.425 55.200 54.840 -0.108 0.000 0.799 447 L CB -0.446 41.571 42.059 -0.070 0.000 0.925 447 L HN 0.134 nan 8.230 nan 0.000 0.446 448 A N 0.486 123.165 122.820 -0.234 0.000 1.903 448 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 448 A C 2.098 179.583 177.584 -0.164 0.000 1.191 448 A CA 1.502 53.391 52.037 -0.246 0.000 0.638 448 A CB -0.646 18.235 19.000 -0.199 0.000 0.823 448 A HN 0.293 nan 8.150 nan 0.000 0.451 449 L N -0.656 120.531 121.223 -0.061 0.000 2.349 449 L HA -0.111 4.229 4.340 -0.000 0.000 0.220 449 L C 2.286 179.115 176.870 -0.067 0.000 1.130 449 L CA 1.201 56.027 54.840 -0.023 0.000 0.791 449 L CB -1.319 40.779 42.059 0.065 0.000 0.918 449 L HN 0.430 nan 8.230 nan 0.000 0.444 450 L N -0.538 120.600 121.223 -0.141 0.000 2.291 450 L HA -0.099 4.240 4.340 -0.000 0.000 0.214 450 L C 1.073 177.658 176.870 -0.475 0.000 1.120 450 L CA 0.179 54.850 54.840 -0.282 0.000 0.799 450 L CB 0.011 41.944 42.059 -0.211 0.000 0.925 450 L HN 0.232 nan 8.230 nan 0.000 0.446 451 E N 0.972 120.806 120.200 -0.610 0.000 2.415 451 E HA 0.009 4.359 4.350 -0.000 0.000 0.262 451 E C -2.097 174.336 176.600 -0.278 0.000 1.038 451 E CA -1.450 54.577 56.400 -0.622 0.000 0.921 451 E CB 0.286 29.708 29.700 -0.464 0.000 0.950 451 E HN 0.011 nan 8.360 nan 0.000 0.438 452 P HA 0.014 nan 4.420 nan 0.000 0.281 452 P C -1.246 175.955 177.300 -0.166 0.000 1.252 452 P CA 0.028 63.015 63.100 -0.188 0.000 0.778 452 P CB 0.400 32.057 31.700 -0.071 0.000 0.895 453 Y N 1.869 122.179 120.300 0.016 0.000 2.304 453 Y HA 0.565 5.115 4.550 -0.000 0.000 0.327 453 Y C 1.629 177.547 175.900 0.029 0.000 1.209 453 Y CA 0.975 59.088 58.100 0.021 0.000 1.299 453 Y CB 0.855 39.325 38.460 0.017 0.000 1.249 453 Y HN 0.751 nan 8.280 nan 0.000 0.519 454 G N 1.163 110.094 108.800 0.219 0.000 2.356 454 G HA2 0.098 4.058 3.960 -0.000 0.000 0.281 454 G HA3 0.098 4.058 3.960 -0.000 0.000 0.281 454 G C 0.066 175.012 174.900 0.076 0.000 1.246 454 G CA -0.378 44.788 45.100 0.109 0.000 0.889 454 G HN 0.353 nan 8.290 nan 0.000 0.486 455 E N 0.035 120.238 120.200 0.005 0.000 2.097 455 E HA -0.032 4.318 4.350 -0.000 0.000 0.196 455 E C 2.362 178.973 176.600 0.018 0.000 1.000 455 E CA 2.953 59.343 56.400 -0.018 0.000 0.804 455 E CB -0.889 28.748 29.700 -0.104 0.000 0.740 455 E HN 0.666 nan 8.360 nan 0.000 0.454 456 G N 0.394 109.173 108.800 -0.035 0.000 2.552 456 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 456 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 456 G C 0.329 175.470 174.900 0.401 0.000 1.240 456 G CA 0.977 46.182 45.100 0.174 0.000 0.796 456 G HN 0.553 nan 8.290 nan 0.000 0.568 457 N N 0.469 119.354 118.700 0.307 0.000 2.442 457 N HA 0.517 5.257 4.740 -0.000 0.000 0.274 457 N C -3.393 172.264 175.510 0.245 0.000 1.002 457 N CA -1.677 51.547 53.050 0.290 0.000 0.910 457 N CB 3.090 41.767 38.487 0.316 0.000 1.244 457 N HN 0.028 nan 8.380 nan 0.000 0.492 458 P HA 0.057 nan 4.420 nan 0.000 0.276 458 P C -0.556 176.577 177.300 -0.279 0.000 1.244 458 P CA -0.290 62.790 63.100 -0.034 0.000 0.801 458 P CB 0.734 32.401 31.700 -0.054 0.000 1.006 459 E N 3.065 122.907 120.200 -0.595 0.000 2.376 459 E HA 0.087 4.437 4.350 -0.000 0.000 0.266 459 E C -1.774 174.510 176.600 -0.526 0.000 1.009 459 E CA -1.736 54.003 56.400 -1.102 0.000 0.902 459 E CB -0.023 29.134 29.700 -0.906 0.000 0.972 459 E HN 0.304 nan 8.360 nan 0.000 0.439 460 P HA 0.038 nan 4.420 nan 0.000 0.271 460 P C -0.905 176.163 177.300 -0.386 0.000 1.218 460 P CA 0.202 63.074 63.100 -0.381 0.000 0.780 460 P CB 0.689 32.147 31.700 -0.403 0.000 0.901 461 L N 2.332 123.309 121.223 -0.410 0.000 2.334 461 L HA 0.498 4.838 4.340 -0.000 0.000 0.276 461 L C 0.124 176.723 176.870 -0.451 0.000 1.014 461 L CA -0.839 53.805 54.840 -0.326 0.000 0.815 461 L CB 1.009 42.907 42.059 -0.267 0.000 1.268 461 L HN 0.271 nan 8.230 nan 0.000 0.428 462 F N 2.062 121.955 119.950 -0.094 0.000 2.470 462 F HA 0.493 5.020 4.527 0.000 0.000 0.329 462 F C -0.104 175.650 175.800 -0.076 0.000 1.072 462 F CA -0.727 57.232 58.000 -0.069 0.000 0.989 462 F CB 1.850 40.831 39.000 -0.032 0.000 1.193 462 F HN 0.192 nan 8.300 nan 0.000 0.481 463 L N 3.581 124.883 121.223 0.133 0.000 2.275 463 L HA 0.591 4.931 4.340 -0.000 0.000 0.288 463 L C -1.313 175.635 176.870 0.130 0.000 1.046 463 L CA -0.221 54.677 54.840 0.097 0.000 0.805 463 L CB 0.504 42.589 42.059 0.043 0.000 1.193 463 L HN 0.417 nan 8.230 nan 0.000 0.426 464 L N 5.543 126.881 121.223 0.191 0.000 2.322 464 L HA 0.679 5.019 4.340 -0.000 0.000 0.269 464 L C -0.906 176.169 176.870 0.343 0.000 1.012 464 L CA -0.221 54.743 54.840 0.207 0.000 0.815 464 L CB 1.697 43.857 42.059 0.169 0.000 1.295 464 L HN 0.587 nan 8.230 nan 0.000 0.438 465 F N 0.017 120.075 119.950 0.179 0.000 2.650 465 F HA 0.745 5.272 4.527 -0.000 0.000 0.310 465 F C -0.103 175.816 175.800 0.199 0.000 1.112 465 F CA 0.188 58.328 58.000 0.234 0.000 0.986 465 F CB 1.812 41.030 39.000 0.364 0.000 1.285 465 F HN 0.632 nan 8.300 nan 0.000 0.440 466 G N 1.942 110.793 108.800 0.086 0.000 2.350 466 G HA2 0.563 4.523 3.960 -0.000 0.000 0.282 466 G HA3 0.563 4.523 3.960 -0.000 0.000 0.282 466 G C -2.094 172.802 174.900 -0.007 0.000 1.314 466 G CA -0.252 44.967 45.100 0.198 0.000 0.915 466 G HN 1.310 nan 8.290 nan 0.000 0.499 467 A N 1.462 124.314 122.820 0.053 0.000 2.260 467 A HA 0.816 5.136 4.320 -0.000 0.000 0.308 467 A C -1.995 175.601 177.584 0.019 0.000 1.254 467 A CA -1.282 50.754 52.037 -0.002 0.000 0.874 467 A CB 0.568 19.579 19.000 0.018 0.000 1.153 467 A HN 0.581 nan 8.150 nan 0.000 0.527 468 P HA 0.186 nan 4.420 nan 0.000 0.271 468 P C -0.742 176.572 177.300 0.024 0.000 1.220 468 P CA 0.256 63.346 63.100 -0.017 0.000 0.768 468 P CB 0.777 32.224 31.700 -0.421 0.000 0.848 469 E N 1.100 121.369 120.200 0.115 0.000 2.343 469 E HA 0.313 4.663 4.350 -0.000 0.000 0.270 469 E C -0.575 176.080 176.600 0.091 0.000 0.895 469 E CA -0.968 55.477 56.400 0.074 0.000 0.767 469 E CB 1.317 31.055 29.700 0.063 0.000 1.248 469 E HN 0.367 nan 8.360 nan 0.000 0.440 470 E N -0.781 119.450 120.200 0.052 0.000 2.971 470 E HA -0.257 4.093 4.350 -0.000 0.000 0.278 470 E C -0.340 176.296 176.600 0.060 0.000 1.009 470 E CA 0.495 56.920 56.400 0.041 0.000 0.862 470 E CB -1.742 27.978 29.700 0.033 0.000 1.436 470 E HN 0.681 nan 8.360 nan 0.000 0.434 471 A N 1.637 124.502 122.820 0.075 0.000 2.546 471 A HA 0.253 4.573 4.320 -0.000 0.000 0.243 471 A C 0.630 178.237 177.584 0.037 0.000 1.063 471 A CA 0.846 52.938 52.037 0.092 0.000 0.757 471 A CB 0.072 19.082 19.000 0.016 0.000 0.991 471 A HN 0.354 nan 8.150 nan 0.000 0.503 472 R N 2.352 122.874 120.500 0.037 0.000 2.522 472 R HA 0.533 4.873 4.340 -0.000 0.000 0.283 472 R C -0.464 175.820 176.300 -0.026 0.000 1.074 472 R CA -0.852 55.243 56.100 -0.008 0.000 0.925 472 R CB 1.342 31.625 30.300 -0.027 0.000 1.205 472 R HN 0.756 nan 8.270 nan 0.000 0.436 473 R N 2.468 122.946 120.500 -0.037 0.000 2.774 473 R HA 0.247 4.587 4.340 -0.000 0.000 0.269 473 R C -0.747 175.493 176.300 -0.100 0.000 1.068 473 R CA -0.220 55.846 56.100 -0.056 0.000 1.180 473 R CB 0.607 30.882 30.300 -0.043 0.000 1.077 473 R HN 0.721 nan 8.270 nan 0.000 0.513 474 L N 3.928 125.069 121.223 -0.136 0.000 2.433 474 L HA 0.371 4.711 4.340 -0.000 0.000 0.256 474 L C 0.358 177.140 176.870 -0.145 0.000 1.063 474 L CA -0.059 54.656 54.840 -0.207 0.000 0.922 474 L CB 1.275 43.076 42.059 -0.429 0.000 1.238 474 L HN 1.125 nan 8.230 nan 0.000 0.466 475 G N 1.410 110.156 108.800 -0.090 0.000 2.512 475 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.210 475 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.210 475 G C 0.179 175.065 174.900 -0.023 0.000 1.295 475 G CA -0.436 44.638 45.100 -0.044 0.000 0.934 475 G HN 0.427 nan 8.290 nan 0.000 0.554 476 E N 0.677 120.879 120.200 0.003 0.000 2.498 476 E HA 0.271 4.621 4.350 -0.000 0.000 0.203 476 E C 1.442 178.060 176.600 0.030 0.000 1.013 476 E CA 0.749 57.156 56.400 0.011 0.000 0.927 476 E CB 0.629 30.338 29.700 0.016 0.000 1.012 476 E HN 0.818 nan 8.360 nan 0.000 0.482 477 G N 0.363 109.191 108.800 0.047 0.000 2.543 477 G HA2 0.139 4.099 3.960 -0.000 0.000 0.290 477 G HA3 0.139 4.099 3.960 -0.000 0.000 0.290 477 G C 0.683 175.618 174.900 0.059 0.000 1.310 477 G CA -0.438 44.715 45.100 0.089 0.000 1.025 477 G HN -0.029 nan 8.290 nan 0.000 0.502 478 R N -0.977 119.592 120.500 0.115 0.000 2.193 478 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 478 R C 1.001 177.231 176.300 -0.118 0.000 1.110 478 R CA 0.191 56.335 56.100 0.074 0.000 0.988 478 R CB -0.513 29.920 30.300 0.222 0.000 0.871 478 R HN 0.502 nan 8.270 nan 0.000 0.458 479 H N 0.999 119.773 119.070 -0.492 0.000 3.094 479 H HA 0.114 4.670 4.556 -0.000 0.000 0.320 479 H C -0.162 174.908 175.328 -0.430 0.000 1.000 479 H CA 0.438 55.948 56.048 -0.896 0.000 1.413 479 H CB -0.023 29.177 29.762 -0.937 0.000 1.405 479 H HN 0.008 nan 8.280 nan 0.000 0.586 480 L N 1.910 123.093 121.223 -0.067 0.000 2.838 480 L HA 0.832 5.172 4.340 -0.000 0.000 0.266 480 L C -1.654 175.230 176.870 0.024 0.000 1.040 480 L CA -0.975 53.853 54.840 -0.021 0.000 0.906 480 L CB 1.299 43.370 42.059 0.021 0.000 1.501 480 L HN 0.574 nan 8.230 nan 0.000 0.407 481 A N 0.394 123.244 122.820 0.050 0.000 2.539 481 A HA 0.998 5.318 4.320 -0.000 0.000 0.296 481 A C -1.179 176.503 177.584 0.162 0.000 1.073 481 A CA -0.193 51.848 52.037 0.007 0.000 0.700 481 A CB 1.385 20.326 19.000 -0.099 0.000 1.296 481 A HN 1.681 nan 8.150 nan 0.000 0.405 482 F N -0.979 118.945 119.950 -0.043 0.000 3.169 482 F HA 0.856 5.383 4.527 -0.000 0.000 0.325 482 F C -0.785 175.002 175.800 -0.020 0.000 1.175 482 F CA -1.223 56.758 58.000 -0.032 0.000 0.887 482 F CB 1.003 39.987 39.000 -0.025 0.000 1.457 482 F HN 0.582 nan 8.300 nan 0.000 0.496 483 R N 0.761 121.390 120.500 0.215 0.000 2.744 483 R HA 0.778 5.118 4.340 -0.000 0.000 0.279 483 R C -1.927 174.493 176.300 0.199 0.000 0.977 483 R CA -1.006 55.139 56.100 0.075 0.000 0.906 483 R CB 2.707 33.034 30.300 0.045 0.000 1.197 483 R HN 0.660 nan 8.270 nan 0.000 0.463 484 L N 3.317 124.611 121.223 0.118 0.000 2.415 484 L HA 0.341 4.681 4.340 -0.000 0.000 0.268 484 L C -0.405 176.528 176.870 0.106 0.000 0.984 484 L CA -0.949 53.985 54.840 0.158 0.000 0.853 484 L CB 1.590 43.767 42.059 0.197 0.000 1.215 484 L HN 0.572 nan 8.230 nan 0.000 0.419 485 K N 2.620 123.083 120.400 0.105 0.000 3.148 485 K HA -0.239 4.081 4.320 -0.000 0.000 0.267 485 K C 0.889 177.522 176.600 0.055 0.000 0.996 485 K CA 0.887 57.225 56.287 0.086 0.000 0.737 485 K CB -1.721 30.841 32.500 0.103 0.000 1.308 485 K HN 1.178 nan 8.250 nan 0.000 0.470 486 G N -1.847 106.979 108.800 0.044 0.000 2.241 486 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.244 486 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.244 486 G C 0.083 174.984 174.900 0.003 0.000 0.998 486 G CA 0.314 45.427 45.100 0.022 0.000 0.621 486 G HN 0.977 nan 8.290 nan 0.000 0.519 487 V N 0.633 120.546 119.914 -0.003 0.000 2.427 487 V HA 0.810 4.930 4.120 -0.000 0.000 0.286 487 V C 0.580 176.629 176.094 -0.075 0.000 1.034 487 V CA -0.599 61.682 62.300 -0.031 0.000 0.893 487 V CB 1.456 33.260 31.823 -0.032 0.000 0.982 487 V HN 0.531 nan 8.190 nan 0.000 0.452 488 R N 4.166 124.609 120.500 -0.095 0.000 2.389 488 R HA 0.596 4.936 4.340 -0.000 0.000 0.295 488 R C -0.803 175.360 176.300 -0.228 0.000 1.075 488 R CA 0.013 56.017 56.100 -0.161 0.000 1.005 488 R CB 1.373 31.594 30.300 -0.131 0.000 0.987 488 R HN 0.870 nan 8.270 nan 0.000 0.452 489 V N 6.245 125.907 119.914 -0.419 0.000 2.555 489 V HA 0.519 4.639 4.120 -0.000 0.000 0.302 489 V C -1.142 174.673 176.094 -0.465 0.000 1.038 489 V CA -0.835 61.187 62.300 -0.464 0.000 0.887 489 V CB 1.736 33.179 31.823 -0.634 0.000 0.991 489 V HN 0.740 nan 8.190 nan 0.000 0.434 490 L N 6.345 127.426 121.223 -0.238 0.000 2.329 490 L HA 0.986 5.326 4.340 -0.000 0.000 0.279 490 L C 0.097 176.922 176.870 -0.074 0.000 1.014 490 L CA -0.014 54.747 54.840 -0.132 0.000 0.814 490 L CB 1.747 43.780 42.059 -0.043 0.000 1.257 490 L HN 1.006 nan 8.230 nan 0.000 0.424 491 A N 2.045 124.816 122.820 -0.081 0.000 2.610 491 A HA 0.669 4.989 4.320 -0.000 0.000 0.291 491 A C -2.365 175.064 177.584 -0.258 0.000 1.086 491 A CA -0.560 51.462 52.037 -0.025 0.000 0.677 491 A CB 0.902 19.998 19.000 0.160 0.000 1.278 491 A HN 0.629 nan 8.150 nan 0.000 0.414 492 W N 1.662 122.941 121.300 -0.035 0.000 2.347 492 W HA 0.544 5.205 4.660 0.000 0.000 0.321 492 W C 0.323 176.850 176.519 0.013 0.000 0.971 492 W CA -0.530 56.781 57.345 -0.057 0.000 1.508 492 W CB 1.287 30.681 29.460 -0.109 0.000 1.299 492 W HN 0.648 nan 8.180 nan 0.000 0.399 493 K N 2.954 123.432 120.400 0.130 0.000 2.437 493 K HA -0.057 4.263 4.320 -0.000 0.000 0.277 493 K C 0.527 177.201 176.600 0.123 0.000 1.073 493 K CA 0.467 56.820 56.287 0.110 0.000 1.105 493 K CB 0.507 33.039 32.500 0.053 0.000 0.881 493 K HN 0.266 nan 8.250 nan 0.000 0.475 494 Q N 3.524 123.392 119.800 0.113 0.000 2.257 494 Q HA 0.090 4.430 4.340 -0.000 0.000 0.273 494 Q C 0.400 176.441 176.000 0.068 0.000 1.153 494 Q CA 0.694 56.554 55.803 0.096 0.000 0.922 494 Q CB -0.097 28.692 28.738 0.084 0.000 1.242 494 Q HN 0.869 nan 8.270 nan 0.000 0.409 495 G N 3.825 112.667 108.800 0.070 0.000 2.557 495 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.299 495 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.299 495 G C 0.202 175.122 174.900 0.034 0.000 0.146 495 G CA 0.737 45.868 45.100 0.051 0.000 1.150 495 G HN 0.831 nan 8.290 nan 0.000 0.532 496 D N 0.234 120.650 120.400 0.027 0.000 1.441 496 D HA -0.121 4.519 4.640 -0.000 0.000 0.840 496 D C 0.964 177.264 176.300 0.001 0.000 0.439 496 D CA 0.563 54.569 54.000 0.009 0.000 1.025 496 D CB -0.745 40.056 40.800 0.002 0.000 2.466 496 D HN 0.936 nan 8.370 nan 0.000 0.299 497 L N 0.387 121.611 121.223 0.001 0.000 0.585 497 L HA -0.041 4.299 4.340 -0.000 0.000 0.356 497 L C -0.141 176.708 176.870 -0.035 0.000 0.973 497 L CA 0.794 55.627 54.840 -0.013 0.000 1.223 497 L CB -0.594 41.461 42.059 -0.006 0.000 0.012 497 L HN 0.780 nan 8.230 nan 0.000 0.091 498 A N 0.764 123.551 122.820 -0.055 0.000 2.302 498 A HA 0.044 4.364 4.320 -0.000 0.000 0.634 498 A C -0.628 176.893 177.584 -0.105 0.000 0.278 498 A CA 0.128 52.121 52.037 -0.074 0.000 0.218 498 A CB -0.879 18.090 19.000 -0.053 0.000 3.675 498 A HN 0.871 nan 8.150 nan 0.000 0.507 499 L N 4.451 125.576 121.223 -0.164 0.000 2.375 499 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 499 L C -0.867 175.904 176.870 -0.166 0.000 1.107 499 L CA -1.424 53.289 54.840 -0.213 0.000 0.806 499 L CB -0.281 41.540 42.059 -0.397 0.000 1.146 499 L HN 0.737 nan 8.230 nan 0.000 0.447 500 P HA 0.155 nan 4.420 nan 0.000 0.272 500 P C -2.019 175.205 177.300 -0.127 0.000 1.254 500 P CA -0.970 62.059 63.100 -0.119 0.000 0.795 500 P CB -0.172 31.460 31.700 -0.113 0.000 1.022 501 P HA -0.127 nan 4.420 nan 0.000 0.216 501 P C 0.240 177.481 177.300 -0.098 0.000 1.153 501 P CA 1.679 64.731 63.100 -0.080 0.000 0.858 501 P CB 0.342 32.011 31.700 -0.052 0.000 0.789 502 E N -0.605 119.517 120.200 -0.130 0.000 2.288 502 E HA 0.460 4.809 4.350 -0.000 0.000 0.268 502 E C -0.848 175.573 176.600 -0.299 0.000 0.885 502 E CA -1.019 55.260 56.400 -0.202 0.000 0.767 502 E CB 3.065 32.661 29.700 -0.174 0.000 1.220 502 E HN -0.154 nan 8.360 nan 0.000 0.427 503 V N -1.137 118.543 119.914 -0.389 0.000 3.007 503 V HA 0.586 4.706 4.120 -0.000 0.000 0.311 503 V C -0.710 175.164 176.094 -0.368 0.000 1.120 503 V CA -0.945 61.164 62.300 -0.317 0.000 0.980 503 V CB 2.092 33.803 31.823 -0.188 0.000 1.033 503 V HN 0.643 nan 8.190 nan 0.000 0.429 504 E N 1.075 121.178 120.200 -0.162 0.000 2.187 504 E HA 0.759 5.109 4.350 -0.000 0.000 0.268 504 E C -1.560 175.296 176.600 0.426 0.000 0.896 504 E CA -0.663 55.801 56.400 0.107 0.000 0.766 504 E CB 2.372 32.115 29.700 0.072 0.000 1.142 504 E HN 0.677 nan 8.360 nan 0.000 0.408 505 V N 1.910 122.115 119.914 0.486 0.000 2.656 505 V HA 0.626 4.746 4.120 -0.000 0.000 0.307 505 V C -0.675 175.509 176.094 0.150 0.000 1.051 505 V CA -0.803 61.735 62.300 0.396 0.000 0.893 505 V CB 1.828 33.813 31.823 0.270 0.000 0.999 505 V HN 0.760 nan 8.190 nan 0.000 0.426 506 A N 3.155 125.884 122.820 -0.151 0.000 2.267 506 A HA 0.905 5.225 4.320 -0.000 0.000 0.315 506 A C 0.185 177.678 177.584 -0.152 0.000 1.297 506 A CA 0.101 51.907 52.037 -0.384 0.000 0.865 506 A CB 0.762 19.236 19.000 -0.878 0.000 1.165 506 A HN 1.181 nan 8.150 nan 0.000 0.513 507 G N 0.898 109.670 108.800 -0.046 0.000 2.694 507 G HA2 0.587 4.547 3.960 -0.000 0.000 0.290 507 G HA3 0.587 4.547 3.960 -0.000 0.000 0.290 507 G C -1.141 173.798 174.900 0.064 0.000 1.386 507 G CA -0.783 44.321 45.100 0.008 0.000 0.872 507 G HN 0.645 nan 8.290 nan 0.000 0.475 508 L N 0.744 122.003 121.223 0.060 0.000 2.289 508 L HA 0.425 4.765 4.340 -0.000 0.000 0.285 508 L C 0.316 177.285 176.870 0.166 0.000 1.049 508 L CA -0.702 54.197 54.840 0.099 0.000 0.804 508 L CB 1.781 43.862 42.059 0.036 0.000 1.195 508 L HN 0.268 nan 8.230 nan 0.000 0.428 509 L N 3.091 124.479 121.223 0.276 0.000 2.433 509 L HA 0.183 4.523 4.340 -0.000 0.000 0.275 509 L C -0.173 176.886 176.870 0.315 0.000 1.128 509 L CA 0.309 55.307 54.840 0.264 0.000 0.875 509 L CB 0.647 42.898 42.059 0.320 0.000 1.171 509 L HN 0.728 nan 8.230 nan 0.000 0.463 510 S N 3.931 119.719 115.700 0.145 0.000 2.537 510 S HA 0.336 4.806 4.470 -0.000 0.000 0.301 510 S C -0.544 173.878 174.600 -0.296 0.000 1.092 510 S CA -0.676 57.537 58.200 0.022 0.000 1.048 510 S CB 1.967 65.160 63.200 -0.011 0.000 1.053 510 S HN 0.598 nan 8.310 nan 0.000 0.501 511 E N 2.255 122.099 120.200 -0.593 0.000 2.183 511 E HA 0.200 4.550 4.350 -0.000 0.000 0.250 511 E C -1.177 175.120 176.600 -0.506 0.000 0.901 511 E CA -0.621 55.203 56.400 -0.959 0.000 0.741 511 E CB 0.178 29.034 29.700 -1.407 0.000 1.182 511 E HN 0.412 nan 8.360 nan 0.000 0.425 512 N N 2.661 121.121 118.700 -0.401 0.000 2.414 512 N HA 0.252 4.992 4.740 -0.000 0.000 0.256 512 N C -0.859 174.571 175.510 -0.133 0.000 1.029 512 N CA -0.153 52.781 53.050 -0.193 0.000 0.948 512 N CB 1.703 40.112 38.487 -0.130 0.000 1.102 512 N HN 0.431 nan 8.380 nan 0.000 0.496 513 A N 2.925 125.712 122.820 -0.055 0.000 2.301 513 A HA 0.546 4.866 4.320 -0.000 0.000 0.298 513 A C -0.878 176.798 177.584 0.152 0.000 1.185 513 A CA -0.636 51.398 52.037 -0.004 0.000 0.830 513 A CB 0.855 19.826 19.000 -0.048 0.000 1.112 513 A HN 0.724 nan 8.150 nan 0.000 0.508 514 W N 3.241 124.503 121.300 -0.062 0.000 3.425 514 W HA 0.298 4.958 4.660 -0.000 0.000 0.318 514 W C -0.173 176.345 176.519 -0.001 0.000 1.201 514 W CA -0.462 56.864 57.345 -0.033 0.000 1.212 514 W CB 1.063 30.507 29.460 -0.028 0.000 1.355 514 W HN 1.040 nan 8.180 nan 0.000 0.515 515 N N 3.227 121.521 118.700 -0.677 0.000 2.716 515 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 515 N C 0.735 176.110 175.510 -0.225 0.000 1.033 515 N CA 2.999 55.814 53.050 -0.392 0.000 0.727 515 N CB -1.097 37.298 38.487 -0.153 0.000 0.950 515 N HN 1.295 nan 8.380 nan 0.000 0.541 516 G N -2.104 106.516 108.800 -0.301 0.000 2.184 516 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 516 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 516 G C -0.017 174.512 174.900 -0.618 0.000 0.975 516 G CA 0.789 45.629 45.100 -0.433 0.000 0.642 516 G HN 0.861 nan 8.290 nan 0.000 0.536 517 H N -1.080 117.977 119.070 -0.022 0.000 2.771 517 H HA 0.782 5.338 4.556 0.000 0.000 0.367 517 H C 0.258 175.573 175.328 -0.022 0.000 1.172 517 H CA -0.914 55.132 56.048 -0.004 0.000 1.186 517 H CB 1.483 31.258 29.762 0.022 0.000 1.790 517 H HN 0.203 nan 8.280 nan 0.000 0.556 518 L N 0.865 122.128 121.223 0.067 0.000 2.334 518 L HA 0.822 5.162 4.340 -0.000 0.000 0.273 518 L C -0.419 176.365 176.870 -0.144 0.000 1.013 518 L CA -1.110 53.661 54.840 -0.114 0.000 0.816 518 L CB 1.724 43.658 42.059 -0.208 0.000 1.278 518 L HN 0.660 nan 8.230 nan 0.000 0.431 519 A N 1.651 124.285 122.820 -0.311 0.000 2.381 519 A HA 0.662 4.982 4.320 -0.000 0.000 0.299 519 A C -1.681 175.636 177.584 -0.446 0.000 1.049 519 A CA -0.368 51.530 52.037 -0.232 0.000 0.715 519 A CB 0.743 19.670 19.000 -0.122 0.000 1.222 519 A HN 0.548 nan 8.150 nan 0.000 0.428 520 Y N 1.855 122.086 120.300 -0.114 0.000 2.454 520 Y HA 0.465 5.015 4.550 -0.000 0.000 0.345 520 Y C 0.702 176.536 175.900 -0.109 0.000 0.970 520 Y CA 0.392 58.408 58.100 -0.141 0.000 1.204 520 Y CB 0.839 39.224 38.460 -0.125 0.000 1.122 520 Y HN 0.748 nan 8.280 nan 0.000 0.514 521 E N 1.005 121.179 120.200 -0.044 0.000 2.431 521 E HA 0.719 5.069 4.350 -0.000 0.000 0.268 521 E C -1.435 175.147 176.600 -0.030 0.000 0.953 521 E CA -1.254 55.116 56.400 -0.051 0.000 0.810 521 E CB 2.356 32.000 29.700 -0.094 0.000 1.369 521 E HN 0.139 nan 8.360 nan 0.000 0.440 522 V N 1.338 121.221 119.914 -0.051 0.000 2.495 522 V HA 0.252 4.372 4.120 -0.000 0.000 0.298 522 V C -0.835 175.237 176.094 -0.037 0.000 1.031 522 V CA -0.698 61.588 62.300 -0.022 0.000 0.871 522 V CB 1.579 33.388 31.823 -0.024 0.000 0.988 522 V HN 0.521 nan 8.190 nan 0.000 0.432 523 Q N 3.483 123.286 119.800 0.004 0.000 2.368 523 Q HA 0.649 4.989 4.340 -0.000 0.000 0.256 523 Q C -0.095 175.919 176.000 0.023 0.000 0.980 523 Q CA -0.174 55.638 55.803 0.014 0.000 0.887 523 Q CB 1.354 30.113 28.738 0.035 0.000 1.221 523 Q HN 0.960 nan 8.270 nan 0.000 0.458 524 A N 3.452 126.289 122.820 0.028 0.000 2.488 524 A HA 0.299 4.619 4.320 -0.000 0.000 0.249 524 A C 0.881 178.502 177.584 0.061 0.000 1.083 524 A CA 0.244 52.314 52.037 0.055 0.000 0.768 524 A CB 0.166 19.229 19.000 0.105 0.000 1.017 524 A HN 0.991 nan 8.150 nan 0.000 0.496 525 V N -0.640 119.282 119.914 0.013 0.000 3.125 525 V HA 0.277 4.397 4.120 -0.000 0.000 0.249 525 V C 0.331 176.440 176.094 0.025 0.000 1.113 525 V CA 1.236 63.534 62.300 -0.003 0.000 1.106 525 V CB -0.131 31.653 31.823 -0.066 0.000 0.768 525 V HN 0.738 nan 8.190 nan 0.000 0.468 526 D N -0.690 119.728 120.400 0.030 0.000 2.753 526 D HA 0.616 5.256 4.640 -0.000 0.000 0.224 526 D C -1.564 174.917 176.300 0.302 0.000 1.213 526 D CA -0.306 53.790 54.000 0.159 0.000 0.833 526 D CB 2.489 43.393 40.800 0.172 0.000 1.607 526 D HN 0.343 nan 8.370 nan 0.000 0.463 527 L N 2.955 124.397 121.223 0.366 0.000 2.445 527 L HA 0.789 5.128 4.340 -0.000 0.000 0.262 527 L C -1.372 175.642 176.870 0.241 0.000 0.974 527 L CA -0.498 54.548 54.840 0.344 0.000 0.822 527 L CB 1.498 43.706 42.059 0.248 0.000 1.339 527 L HN 0.744 nan 8.230 nan 0.000 0.409 528 R N 2.571 123.143 120.500 0.121 0.000 2.765 528 R HA 0.314 4.654 4.340 -0.000 0.000 0.277 528 R C -1.879 174.332 176.300 -0.149 0.000 1.028 528 R CA -1.123 54.944 56.100 -0.055 0.000 0.860 528 R CB 1.189 31.382 30.300 -0.179 0.000 1.270 528 R HN 0.499 nan 8.270 nan 0.000 0.484 529 K N 1.788 122.098 120.400 -0.150 0.000 2.451 529 K HA 0.174 4.494 4.320 -0.000 0.000 0.280 529 K C -2.050 174.436 176.600 -0.190 0.000 1.020 529 K CA -1.205 54.989 56.287 -0.155 0.000 1.008 529 K CB 0.452 32.884 32.500 -0.113 0.000 0.917 529 K HN 0.324 nan 8.250 nan 0.000 0.478 530 P HA -0.083 nan 4.420 nan 0.000 0.260 530 P C -1.114 176.146 177.300 -0.067 0.000 1.172 530 P CA 0.737 63.786 63.100 -0.084 0.000 0.760 530 P CB 0.520 32.237 31.700 0.028 0.000 0.773 531 E N 1.081 121.226 120.200 -0.091 0.000 2.445 531 E HA 0.619 4.969 4.350 -0.000 0.000 0.273 531 E C -0.652 175.939 176.600 -0.016 0.000 0.961 531 E CA -1.374 54.976 56.400 -0.084 0.000 0.807 531 E CB 1.502 31.101 29.700 -0.169 0.000 1.362 531 E HN 0.327 nan 8.360 nan 0.000 0.453 532 A N 1.212 124.031 122.820 -0.002 0.000 2.540 532 A HA 0.223 4.543 4.320 -0.000 0.000 0.239 532 A C -0.478 177.167 177.584 0.102 0.000 1.061 532 A CA 0.454 52.524 52.037 0.056 0.000 0.758 532 A CB -0.200 18.817 19.000 0.028 0.000 0.991 532 A HN 0.405 nan 8.150 nan 0.000 0.502 533 L N 2.196 123.549 121.223 0.217 0.000 2.334 533 L HA 0.378 4.718 4.340 -0.000 0.000 0.276 533 L C 0.356 177.397 176.870 0.286 0.000 1.014 533 L CA -0.359 54.630 54.840 0.248 0.000 0.815 533 L CB 1.736 43.945 42.059 0.250 0.000 1.268 533 L HN 0.784 nan 8.230 nan 0.000 0.428 534 E N 1.265 121.595 120.200 0.217 0.000 2.313 534 E HA 0.661 5.011 4.350 -0.000 0.000 0.272 534 E C -0.036 176.656 176.600 0.154 0.000 1.038 534 E CA -0.196 56.315 56.400 0.186 0.000 0.863 534 E CB 1.704 31.488 29.700 0.140 0.000 1.060 534 E HN 0.779 nan 8.360 nan 0.000 0.402 535 G N 0.486 109.379 108.800 0.156 0.000 2.339 535 G HA2 0.391 4.351 3.960 -0.000 0.000 0.381 535 G HA3 0.391 4.351 3.960 -0.000 0.000 0.381 535 G C -0.203 174.783 174.900 0.144 0.000 1.400 535 G CA -0.239 44.924 45.100 0.105 0.000 1.002 535 G HN 0.942 nan 8.290 nan 0.000 0.633 536 G N -1.386 107.474 108.800 0.100 0.000 2.685 536 G HA2 0.426 4.386 3.960 -0.000 0.000 0.387 536 G HA3 0.426 4.386 3.960 -0.000 0.000 0.387 536 G C 0.137 175.105 174.900 0.113 0.000 1.324 536 G CA 0.154 45.322 45.100 0.114 0.000 0.878 536 G HN 2.275 nan 8.290 nan 0.000 0.527 537 I N -1.951 118.685 120.570 0.109 0.000 3.205 537 I HA 0.856 5.026 4.170 -0.000 0.000 0.310 537 I C 0.968 177.150 176.117 0.109 0.000 1.089 537 I CA -0.886 60.483 61.300 0.115 0.000 1.023 537 I CB 1.574 39.658 38.000 0.140 0.000 1.269 537 I HN 1.720 nan 8.210 nan 0.000 0.512 538 A N 3.219 126.112 122.820 0.122 0.000 2.526 538 A HA 0.288 4.608 4.320 -0.000 0.000 0.267 538 A C -2.069 175.600 177.584 0.143 0.000 1.095 538 A CA -0.867 51.242 52.037 0.119 0.000 0.775 538 A CB -1.269 17.808 19.000 0.127 0.000 1.036 538 A HN 0.594 nan 8.150 nan 0.000 0.510 539 P HA 0.106 nan 4.420 nan 0.000 0.265 539 P C -0.163 177.209 177.300 0.120 0.000 1.193 539 P CA 0.325 63.379 63.100 -0.077 0.000 0.765 539 P CB 0.372 31.853 31.700 -0.365 0.000 0.823 540 F N 0.487 120.453 119.950 0.026 0.000 2.912 540 F HA 0.613 5.140 4.527 -0.000 0.000 0.357 540 F C -0.064 175.850 175.800 0.190 0.000 1.003 540 F CA -0.522 57.584 58.000 0.176 0.000 1.132 540 F CB -0.075 39.008 39.000 0.137 0.000 1.055 540 F HN 0.310 nan 8.300 nan 0.000 0.572 541 A N 0.865 123.307 122.820 -0.630 0.000 2.304 541 A HA 0.680 5.000 4.320 -0.000 0.000 0.314 541 A C -2.071 175.377 177.584 -0.227 0.000 1.187 541 A CA -0.337 51.498 52.037 -0.335 0.000 0.810 541 A CB 0.043 18.779 19.000 -0.441 0.000 1.183 541 A HN 0.290 nan 8.150 nan 0.000 0.487 542 Y N 2.745 122.924 120.300 -0.202 0.000 2.402 542 Y HA 0.392 4.942 4.550 -0.000 0.000 0.332 542 Y C -2.386 173.329 175.900 -0.309 0.000 0.960 542 Y CA -2.718 55.250 58.100 -0.220 0.000 1.228 542 Y CB 1.109 39.464 38.460 -0.175 0.000 1.120 542 Y HN 0.492 nan 8.280 nan 0.000 0.491 543 P HA -0.015 nan 4.420 nan 0.000 0.262 543 P C -0.886 176.216 177.300 -0.331 0.000 1.182 543 P CA 0.333 63.125 63.100 -0.513 0.000 0.761 543 P CB 0.560 31.822 31.700 -0.730 0.000 0.795 544 L N 6.799 127.882 121.223 -0.232 0.000 2.436 544 L HA 0.612 4.952 4.340 -0.000 0.000 0.268 544 L C -2.716 174.090 176.870 -0.106 0.000 0.974 544 L CA -2.636 52.113 54.840 -0.152 0.000 0.826 544 L CB 2.114 44.133 42.059 -0.066 0.000 1.291 544 L HN 0.181 nan 8.230 nan 0.000 0.406 545 P HA 0.063 nan 4.420 nan 0.000 0.266 545 P C 0.518 177.845 177.300 0.045 0.000 1.195 545 P CA -0.187 62.882 63.100 -0.051 0.000 0.768 545 P CB 0.628 32.280 31.700 -0.080 0.000 0.838 546 L N 4.144 125.430 121.223 0.105 0.000 2.042 546 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 546 L C 1.880 178.775 176.870 0.042 0.000 1.076 546 L CA 1.845 56.731 54.840 0.077 0.000 0.749 546 L CB -1.063 41.033 42.059 0.062 0.000 0.893 546 L HN 0.360 nan 8.230 nan 0.000 0.432 547 L N -0.853 120.386 121.223 0.027 0.000 1.989 547 L HA -0.269 4.071 4.340 -0.000 0.000 0.211 547 L C 2.552 179.430 176.870 0.012 0.000 1.071 547 L CA 1.886 56.738 54.840 0.020 0.000 0.749 547 L CB -0.782 41.283 42.059 0.009 0.000 0.890 547 L HN 0.334 nan 8.230 nan 0.000 0.431 548 E N -0.052 120.146 120.200 -0.003 0.000 2.085 548 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 548 E C 2.257 178.848 176.600 -0.016 0.000 0.994 548 E CA 1.248 57.639 56.400 -0.016 0.000 0.801 548 E CB -0.146 29.534 29.700 -0.033 0.000 0.743 548 E HN 0.514 nan 8.360 nan 0.000 0.453 549 A N 0.890 123.708 122.820 -0.004 0.000 1.898 549 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 549 A C 2.167 179.731 177.584 -0.033 0.000 1.181 549 A CA 1.023 53.055 52.037 -0.009 0.000 0.620 549 A CB -0.606 18.411 19.000 0.028 0.000 0.819 549 A HN 0.138 nan 8.150 nan 0.000 0.442 550 L N -0.685 120.543 121.223 0.009 0.000 2.046 550 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 550 L C 3.111 179.973 176.870 -0.013 0.000 1.077 550 L CA 1.014 55.875 54.840 0.036 0.000 0.747 550 L CB -0.642 41.504 42.059 0.145 0.000 0.896 550 L HN 0.444 nan 8.230 nan 0.000 0.432 551 A N 0.460 123.280 122.820 0.001 0.000 1.859 551 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 551 A C 2.377 179.928 177.584 -0.055 0.000 1.198 551 A CA 1.993 54.027 52.037 -0.006 0.000 0.629 551 A CB -0.630 18.368 19.000 -0.003 0.000 0.830 551 A HN 0.319 nan 8.150 nan 0.000 0.446 552 R N -0.628 119.828 120.500 -0.072 0.000 2.127 552 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 552 R C 2.403 178.604 176.300 -0.165 0.000 1.134 552 R CA 1.218 57.263 56.100 -0.092 0.000 0.975 552 R CB -0.469 29.786 30.300 -0.075 0.000 0.865 552 R HN 0.559 nan 8.270 nan 0.000 0.447 553 A N 1.046 123.691 122.820 -0.292 0.000 1.898 553 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 553 A C 2.018 179.239 177.584 -0.606 0.000 1.181 553 A CA 1.110 52.761 52.037 -0.644 0.000 0.620 553 A CB -0.308 17.989 19.000 -1.171 0.000 0.819 553 A HN 0.203 nan 8.150 nan 0.000 0.442 554 R N -1.137 119.176 120.500 -0.312 0.000 2.120 554 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 554 R C 1.396 177.694 176.300 -0.004 0.000 1.123 554 R CA 0.953 57.050 56.100 -0.005 0.000 0.975 554 R CB -0.340 30.017 30.300 0.094 0.000 0.866 554 R HN 0.351 nan 8.270 nan 0.000 0.446 555 L N -0.692 120.502 121.223 -0.049 0.000 2.552 555 L HA 0.097 4.437 4.340 -0.000 0.000 0.227 555 L C 1.314 178.171 176.870 -0.022 0.000 1.146 555 L CA 1.496 56.322 54.840 -0.024 0.000 0.858 555 L CB -0.136 41.906 42.059 -0.030 0.000 0.969 555 L HN 0.498 nan 8.230 nan 0.000 0.451 556 G N -0.842 107.930 108.800 -0.046 0.000 2.168 556 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.197 556 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.197 556 G C 0.364 175.247 174.900 -0.029 0.000 0.997 556 G CA 0.065 45.155 45.100 -0.018 0.000 0.658 556 G HN 0.341 nan 8.290 nan 0.000 0.513 557 E N 0.734 120.894 120.200 -0.066 0.000 2.414 557 E HA 0.450 4.800 4.350 -0.000 0.000 0.263 557 E C 1.240 177.828 176.600 -0.021 0.000 1.000 557 E CA 0.212 56.585 56.400 -0.044 0.000 0.914 557 E CB 0.284 29.947 29.700 -0.061 0.000 0.948 557 E HN 0.505 nan 8.360 nan 0.000 0.444 558 G N 3.119 111.932 108.800 0.021 0.000 2.298 558 G HA2 0.322 4.282 3.960 -0.000 0.000 0.263 558 G HA3 0.322 4.282 3.960 -0.000 0.000 0.263 558 G C -0.351 174.603 174.900 0.090 0.000 1.229 558 G CA -0.046 45.091 45.100 0.062 0.000 0.976 558 G HN 0.409 nan 8.290 nan 0.000 0.459 559 V N 1.328 121.303 119.914 0.103 0.000 2.914 559 V HA 0.778 4.898 4.120 -0.000 0.000 0.314 559 V C -0.942 175.289 176.094 0.228 0.000 1.084 559 V CA -1.731 60.663 62.300 0.156 0.000 0.963 559 V CB 1.689 33.537 31.823 0.041 0.000 1.025 559 V HN 0.648 nan 8.190 nan 0.000 0.432 560 Y N 2.401 122.795 120.300 0.156 0.000 2.377 560 Y HA 0.827 5.377 4.550 0.000 0.000 0.339 560 Y C -1.009 174.904 175.900 0.022 0.000 1.011 560 Y CA -0.855 57.273 58.100 0.046 0.000 1.093 560 Y CB 2.075 40.495 38.460 -0.066 0.000 1.201 560 Y HN 0.632 nan 8.280 nan 0.000 0.455 561 V N 8.499 127.947 119.914 -0.777 0.000 2.525 561 V HA 0.417 4.537 4.120 -0.000 0.000 0.299 561 V C -2.285 173.212 176.094 -0.996 0.000 1.034 561 V CA -1.808 60.084 62.300 -0.681 0.000 0.863 561 V CB 1.762 33.374 31.823 -0.353 0.000 0.999 561 V HN 0.745 nan 8.190 nan 0.000 0.423 562 P HA 0.229 nan 4.420 nan 0.000 0.274 562 P C 0.469 177.612 177.300 -0.260 0.000 1.231 562 P CA -0.173 62.635 63.100 -0.486 0.000 0.790 562 P CB 1.218 32.823 31.700 -0.160 0.000 0.951 563 E N 0.788 120.901 120.200 -0.146 0.000 2.086 563 E HA -0.169 4.181 4.350 -0.000 0.000 0.200 563 E C 0.317 176.883 176.600 -0.056 0.000 1.012 563 E CA 1.350 57.702 56.400 -0.080 0.000 0.812 563 E CB -1.056 28.636 29.700 -0.012 0.000 0.743 563 E HN 0.582 nan 8.360 nan 0.000 0.453 564 D N 1.388 121.767 120.400 -0.034 0.000 2.406 564 D HA -0.120 4.520 4.640 -0.000 0.000 0.234 564 D C 0.622 176.900 176.300 -0.037 0.000 1.196 564 D CA 0.259 54.249 54.000 -0.017 0.000 0.881 564 D CB 0.024 40.827 40.800 0.006 0.000 1.205 564 D HN 0.218 nan 8.370 nan 0.000 0.453 565 N N 0.479 119.166 118.700 -0.021 0.000 2.696 565 N HA -0.149 4.591 4.740 -0.000 0.000 0.256 565 N C -1.822 173.670 175.510 -0.030 0.000 1.031 565 N CA -0.582 52.453 53.050 -0.025 0.000 0.730 565 N CB -0.132 38.333 38.487 -0.037 0.000 0.894 565 N HN 0.183 nan 8.380 nan 0.000 0.544 566 P HA -0.154 nan 4.420 nan 0.000 0.224 566 P C 0.969 178.282 177.300 0.022 0.000 1.142 566 P CA 1.018 64.122 63.100 0.007 0.000 0.778 566 P CB 0.145 31.875 31.700 0.050 0.000 0.764 567 E N -0.399 119.809 120.200 0.014 0.000 2.153 567 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 567 E C 2.080 178.696 176.600 0.026 0.000 0.988 567 E CA 1.400 57.813 56.400 0.023 0.000 0.811 567 E CB -0.726 28.977 29.700 0.005 0.000 0.746 567 E HN 0.197 nan 8.360 nan 0.000 0.466 568 G N 0.540 109.337 108.800 -0.005 0.000 2.411 568 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.213 568 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.213 568 G C 1.399 176.292 174.900 -0.011 0.000 1.166 568 G CA 0.286 45.389 45.100 0.003 0.000 0.802 568 G HN 0.272 nan 8.290 nan 0.000 0.533 569 L N 0.843 122.007 121.223 -0.097 0.000 2.275 569 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 569 L C 1.977 178.770 176.870 -0.128 0.000 1.119 569 L CA 1.770 56.457 54.840 -0.254 0.000 0.790 569 L CB -0.197 41.653 42.059 -0.349 0.000 0.919 569 L HN 0.267 nan 8.230 nan 0.000 0.443 570 D N -1.760 118.668 120.400 0.046 0.000 2.144 570 D HA -0.258 4.382 4.640 -0.000 0.000 0.207 570 D C 2.037 178.377 176.300 0.066 0.000 0.970 570 D CA 0.884 54.973 54.000 0.148 0.000 0.853 570 D CB -0.167 40.709 40.800 0.127 0.000 1.007 570 D HN 0.423 nan 8.370 nan 0.000 0.469 571 Y N 1.649 121.898 120.300 -0.084 0.000 2.241 571 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 571 Y C 2.038 177.722 175.900 -0.360 0.000 1.166 571 Y CA 2.078 60.087 58.100 -0.152 0.000 1.203 571 Y CB -0.396 37.998 38.460 -0.111 0.000 0.977 571 Y HN 0.063 nan 8.280 nan 0.000 0.529 572 A N 0.031 122.619 122.820 -0.388 0.000 1.826 572 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 572 A C 2.083 179.334 177.584 -0.555 0.000 1.212 572 A CA 1.353 52.873 52.037 -0.861 0.000 0.605 572 A CB -1.562 17.215 19.000 -0.372 0.000 0.861 572 A HN 0.655 nan 8.150 nan 0.000 0.447 573 W N 0.183 121.312 121.300 -0.285 0.000 2.315 573 W HA -0.124 4.536 4.660 -0.000 0.000 0.323 573 W C 1.563 177.948 176.519 -0.222 0.000 1.233 573 W CA 1.921 59.156 57.345 -0.183 0.000 1.267 573 W CB -0.857 28.541 29.460 -0.104 0.000 1.160 573 W HN 0.250 nan 8.180 nan 0.000 0.474 574 K N 0.496 120.911 120.400 0.025 0.000 3.120 574 K HA 0.175 4.495 4.320 -0.000 0.000 0.275 574 K C 0.444 176.907 176.600 -0.229 0.000 0.914 574 K CA 0.808 57.048 56.287 -0.078 0.000 1.125 574 K CB -0.636 31.837 32.500 -0.046 0.000 1.053 574 K HN 0.033 nan 8.250 nan 0.000 0.450 575 A N -1.171 121.474 122.820 -0.291 0.000 2.654 575 A HA 0.347 4.667 4.320 -0.000 0.000 0.203 575 A C 0.880 178.353 177.584 -0.185 0.000 1.306 575 A CA -0.046 51.773 52.037 -0.362 0.000 1.041 575 A CB -0.274 18.258 19.000 -0.781 0.000 1.217 575 A HN 0.371 nan 8.150 nan 0.000 0.510 576 G N 0.047 108.792 108.800 -0.092 0.000 2.246 576 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.273 576 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.273 576 G C 0.045 175.080 174.900 0.225 0.000 1.055 576 G CA 0.334 45.474 45.100 0.067 0.000 0.851 576 G HN 0.585 nan 8.290 nan 0.000 0.500 577 F N -0.759 119.200 119.950 0.014 0.000 2.450 577 F HA 0.245 4.772 4.527 0.000 0.000 0.339 577 F C 1.630 177.451 175.800 0.036 0.000 1.146 577 F CA -0.788 57.217 58.000 0.009 0.000 1.267 577 F CB 0.631 39.620 39.000 -0.018 0.000 1.178 577 F HN 0.039 nan 8.300 nan 0.000 0.585 578 R N 3.600 124.230 120.500 0.217 0.000 4.164 578 R HA 0.111 4.451 4.340 -0.000 0.000 0.195 578 R C -0.662 175.722 176.300 0.139 0.000 1.712 578 R CA -0.642 55.545 56.100 0.146 0.000 1.457 578 R CB -0.561 29.794 30.300 0.093 0.000 1.387 578 R HN 0.407 nan 8.270 nan 0.000 0.785 579 L N 3.393 124.705 121.223 0.149 0.000 2.559 579 L HA 0.022 4.362 4.340 -0.000 0.000 0.282 579 L C 0.272 177.207 176.870 0.108 0.000 1.232 579 L CA 1.105 55.998 54.840 0.087 0.000 0.885 579 L CB 0.090 42.130 42.059 -0.032 0.000 1.131 579 L HN 0.528 nan 8.230 nan 0.000 0.498 580 L N 4.768 126.067 121.223 0.127 0.000 2.403 580 L HA 0.571 4.911 4.340 -0.000 0.000 0.253 580 L C -2.375 174.617 176.870 0.202 0.000 1.045 580 L CA -1.676 53.254 54.840 0.149 0.000 0.845 580 L CB 3.010 45.160 42.059 0.151 0.000 1.447 580 L HN 0.441 nan 8.230 nan 0.000 0.411 581 P HA 0.198 nan 4.420 nan 0.000 0.282 581 P C -2.388 174.916 177.300 0.006 0.000 1.249 581 P CA -1.628 61.545 63.100 0.122 0.000 0.806 581 P CB 0.963 32.698 31.700 0.059 0.000 0.984 582 P HA -0.230 nan 4.420 nan 0.000 0.217 582 P C 1.189 178.498 177.300 0.015 0.000 1.151 582 P CA 1.841 64.518 63.100 -0.705 0.000 0.849 582 P CB -0.095 30.641 31.700 -1.607 0.000 0.787 583 E N 1.063 121.250 120.200 -0.021 0.000 2.418 583 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 583 E C 1.437 178.108 176.600 0.117 0.000 1.026 583 E CA 1.033 57.482 56.400 0.081 0.000 0.862 583 E CB -0.598 29.109 29.700 0.013 0.000 0.799 583 E HN 0.587 nan 8.360 nan 0.000 0.518 584 E N 0.165 120.441 120.200 0.125 0.000 2.541 584 E HA 0.348 4.698 4.350 -0.000 0.000 0.219 584 E C 0.201 176.894 176.600 0.155 0.000 0.922 584 E CA -0.027 56.445 56.400 0.120 0.000 1.095 584 E CB 0.436 30.187 29.700 0.085 0.000 1.112 584 E HN 0.137 nan 8.360 nan 0.000 0.516 585 A N 1.190 124.152 122.820 0.238 0.000 2.289 585 A HA 0.558 4.878 4.320 -0.000 0.000 0.298 585 A C 1.012 178.754 177.584 0.265 0.000 1.208 585 A CA 0.018 52.215 52.037 0.268 0.000 0.845 585 A CB 0.921 20.140 19.000 0.365 0.000 1.125 585 A HN 0.292 nan 8.150 nan 0.000 0.517 586 G N 1.043 109.917 108.800 0.124 0.000 2.920 586 G HA2 0.343 4.303 3.960 -0.000 0.000 0.208 586 G HA3 0.343 4.303 3.960 -0.000 0.000 0.208 586 G C 0.060 174.935 174.900 -0.043 0.000 1.159 586 G CA 0.462 45.569 45.100 0.011 0.000 0.784 586 G HN 0.636 nan 8.290 nan 0.000 0.535 587 L N 0.036 121.310 121.223 0.086 0.000 2.409 587 L HA 0.767 5.107 4.340 -0.000 0.000 0.272 587 L C -1.975 175.130 176.870 0.391 0.000 0.980 587 L CA -1.610 53.291 54.840 0.102 0.000 0.826 587 L CB 1.408 43.507 42.059 0.067 0.000 1.268 587 L HN -0.038 nan 8.230 nan 0.000 0.407 588 W N 5.731 127.122 121.300 0.153 0.000 2.666 588 W HA 0.544 5.205 4.660 0.000 0.000 0.334 588 W C 0.134 176.752 176.519 0.165 0.000 1.051 588 W CA -0.903 56.593 57.345 0.251 0.000 1.224 588 W CB 1.614 31.260 29.460 0.310 0.000 1.405 588 W HN 0.402 nan 8.180 nan 0.000 0.513 589 L N 2.107 123.549 121.223 0.365 0.000 2.766 589 L HA 0.451 4.791 4.340 -0.000 0.000 0.242 589 L C 0.902 177.845 176.870 0.123 0.000 1.136 589 L CA 0.225 55.175 54.840 0.183 0.000 0.933 589 L CB 0.159 42.291 42.059 0.122 0.000 1.241 589 L HN 0.498 nan 8.230 nan 0.000 0.522 590 G N -0.278 108.640 108.800 0.196 0.000 2.606 590 G HA2 0.534 4.493 3.960 -0.000 0.000 0.300 590 G HA3 0.534 4.493 3.960 -0.000 0.000 0.300 590 G C -1.614 173.454 174.900 0.280 0.000 1.360 590 G CA -0.671 44.505 45.100 0.127 0.000 0.783 590 G HN -0.128 nan 8.290 nan 0.000 0.484 591 L N 2.070 123.410 121.223 0.195 0.000 2.275 591 L HA 0.419 4.759 4.340 -0.000 0.000 0.288 591 L C -1.873 175.208 176.870 0.351 0.000 1.046 591 L CA -1.748 53.243 54.840 0.251 0.000 0.805 591 L CB 1.713 43.761 42.059 -0.017 0.000 1.193 591 L HN 0.303 nan 8.230 nan 0.000 0.426 592 P HA 0.128 nan 4.420 nan 0.000 0.272 592 P C -2.186 175.357 177.300 0.404 0.000 1.230 592 P CA -1.326 61.892 63.100 0.198 0.000 0.788 592 P CB 0.392 31.866 31.700 -0.376 0.000 0.949 593 P HA -0.040 nan 4.420 nan 0.000 0.217 593 P C 0.324 177.708 177.300 0.140 0.000 1.151 593 P CA 1.408 64.634 63.100 0.209 0.000 0.828 593 P CB 0.524 32.282 31.700 0.097 0.000 0.788 594 R N -0.295 120.124 120.500 -0.136 0.000 2.832 594 R HA 0.489 4.829 4.340 -0.000 0.000 0.271 594 R C -2.361 173.295 176.300 -1.074 0.000 0.996 594 R CA -2.657 53.213 56.100 -0.383 0.000 0.977 594 R CB 0.926 31.074 30.300 -0.254 0.000 1.168 594 R HN -0.002 nan 8.270 nan 0.000 0.482 595 P HA -0.042 nan 4.420 nan 0.000 0.267 595 P C -0.746 176.054 177.300 -0.832 0.000 1.201 595 P CA 0.165 62.222 63.100 -1.738 0.000 0.775 595 P CB 0.537 31.645 31.700 -0.986 0.000 0.854 596 V N 3.387 123.009 119.914 -0.487 0.000 2.722 596 V HA 0.211 4.331 4.120 -0.000 0.000 0.260 596 V C 0.279 176.372 176.094 -0.002 0.000 0.941 596 V CA -0.268 61.950 62.300 -0.137 0.000 0.888 596 V CB 0.748 32.557 31.823 -0.024 0.000 1.059 596 V HN 0.375 nan 8.190 nan 0.000 0.486 597 L N 1.902 123.035 121.223 -0.150 0.000 2.376 597 L HA 0.853 5.193 4.340 -0.000 0.000 0.267 597 L C 1.305 178.107 176.870 -0.113 0.000 1.035 597 L CA -0.449 54.235 54.840 -0.261 0.000 0.800 597 L CB 1.155 43.037 42.059 -0.296 0.000 1.290 597 L HN 0.729 nan 8.230 nan 0.000 0.462 598 G N 0.585 109.325 108.800 -0.101 0.000 2.298 598 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 598 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 598 G C 0.645 175.562 174.900 0.028 0.000 1.075 598 G CA 0.075 45.165 45.100 -0.017 0.000 0.960 598 G HN 0.596 nan 8.290 nan 0.000 0.502 599 R N -0.625 119.912 120.500 0.062 0.000 2.006 599 R HA 0.359 4.699 4.340 -0.000 0.000 0.181 599 R C 1.295 177.657 176.300 0.103 0.000 1.617 599 R CA 0.426 56.595 56.100 0.115 0.000 1.276 599 R CB -0.200 30.218 30.300 0.197 0.000 1.107 599 R HN 0.536 nan 8.270 nan 0.000 0.474 600 R N 1.276 121.883 120.500 0.177 0.000 2.598 600 R HA -0.089 4.251 4.340 -0.000 0.000 0.323 600 R C -1.057 175.230 176.300 -0.022 0.000 0.993 600 R CA 0.547 56.730 56.100 0.137 0.000 0.724 600 R CB -1.901 28.436 30.300 0.061 0.000 2.060 600 R HN 0.228 nan 8.270 nan 0.000 0.470 601 V N -0.391 119.478 119.914 -0.075 0.000 3.126 601 V HA 0.777 4.897 4.120 -0.000 0.000 0.314 601 V C 0.132 176.090 176.094 -0.227 0.000 1.138 601 V CA -0.936 61.181 62.300 -0.306 0.000 1.034 601 V CB 2.521 33.836 31.823 -0.846 0.000 1.075 601 V HN 0.400 nan 8.190 nan 0.000 0.442 602 E N 0.842 120.894 120.200 -0.246 0.000 2.151 602 E HA 0.663 5.013 4.350 -0.000 0.000 0.275 602 E C -1.448 175.085 176.600 -0.112 0.000 0.936 602 E CA -0.638 55.686 56.400 -0.127 0.000 0.777 602 E CB 2.237 31.877 29.700 -0.100 0.000 1.108 602 E HN 0.624 nan 8.360 nan 0.000 0.401 603 V N 2.120 121.997 119.914 -0.061 0.000 2.495 603 V HA 0.683 4.803 4.120 -0.000 0.000 0.298 603 V C -0.261 175.892 176.094 0.098 0.000 1.031 603 V CA -0.663 61.671 62.300 0.058 0.000 0.871 603 V CB 1.507 33.409 31.823 0.132 0.000 0.988 603 V HN 0.765 nan 8.190 nan 0.000 0.432 604 A N 3.964 126.877 122.820 0.155 0.000 2.380 604 A HA 0.904 5.224 4.320 -0.000 0.000 0.315 604 A C -0.047 177.527 177.584 -0.016 0.000 1.101 604 A CA -0.486 51.657 52.037 0.177 0.000 0.771 604 A CB 1.662 20.743 19.000 0.134 0.000 1.287 604 A HN 0.757 nan 8.150 nan 0.000 0.436 605 L N 0.846 121.905 121.223 -0.273 0.000 2.590 605 L HA 0.570 4.910 4.340 -0.000 0.000 0.181 605 L C 1.302 178.075 176.870 -0.163 0.000 1.134 605 L CA 0.701 55.342 54.840 -0.333 0.000 0.850 605 L CB 0.085 41.733 42.059 -0.684 0.000 1.172 605 L HN 1.053 nan 8.230 nan 0.000 0.498 606 G N -0.639 108.079 108.800 -0.136 0.000 2.347 606 G HA2 0.083 4.043 3.960 -0.000 0.000 0.224 606 G HA3 0.083 4.043 3.960 -0.000 0.000 0.224 606 G C -0.373 174.525 174.900 -0.003 0.000 1.318 606 G CA 0.155 45.233 45.100 -0.037 0.000 1.016 606 G HN 0.050 nan 8.290 nan 0.000 0.469 607 R N -1.680 118.811 120.500 -0.015 0.000 3.359 607 R HA 0.292 4.632 4.340 -0.000 0.000 0.098 607 R C 1.196 177.484 176.300 -0.020 0.000 0.779 607 R CA 1.383 57.482 56.100 -0.001 0.000 1.967 607 R CB -0.334 29.973 30.300 0.011 0.000 1.617 607 R HN 0.376 nan 8.270 nan 0.000 0.469 608 E N 0.645 120.824 120.200 -0.035 0.000 2.498 608 E HA 0.475 4.825 4.350 -0.000 0.000 0.203 608 E C -0.338 176.227 176.600 -0.058 0.000 1.013 608 E CA 0.390 56.764 56.400 -0.045 0.000 0.927 608 E CB 1.285 30.952 29.700 -0.055 0.000 1.012 608 E HN 0.404 nan 8.360 nan 0.000 0.482 609 A N 0.777 123.560 122.820 -0.061 0.000 2.406 609 A HA 0.170 4.490 4.320 -0.000 0.000 0.243 609 A C 1.057 178.604 177.584 -0.061 0.000 1.082 609 A CA -0.101 51.896 52.037 -0.068 0.000 0.786 609 A CB 0.517 19.475 19.000 -0.070 0.000 1.029 609 A HN 0.132 nan 8.150 nan 0.000 0.495 610 R N 1.131 121.597 120.500 -0.056 0.000 2.161 610 R HA -0.021 4.319 4.340 -0.000 0.000 0.213 610 R C 2.193 178.459 176.300 -0.055 0.000 1.055 610 R CA 1.080 57.152 56.100 -0.047 0.000 0.996 610 R CB -0.193 30.086 30.300 -0.036 0.000 0.901 610 R HN 0.829 nan 8.270 nan 0.000 0.456 611 A N 1.162 123.942 122.820 -0.067 0.000 1.972 611 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 611 A C 1.931 179.443 177.584 -0.121 0.000 1.169 611 A CA 0.875 52.863 52.037 -0.081 0.000 0.635 611 A CB -0.434 18.519 19.000 -0.079 0.000 0.810 611 A HN 0.162 nan 8.150 nan 0.000 0.446 612 R N -0.068 120.358 120.500 -0.123 0.000 2.387 612 R HA -0.006 4.334 4.340 -0.000 0.000 0.203 612 R C -0.314 175.927 176.300 -0.098 0.000 1.121 612 R CA 0.125 56.144 56.100 -0.134 0.000 1.129 612 R CB -0.312 29.924 30.300 -0.107 0.000 0.905 612 R HN 0.257 nan 8.270 nan 0.000 0.477 613 L N 1.205 122.370 121.223 -0.097 0.000 2.865 613 L HA 0.155 4.495 4.340 -0.000 0.000 0.233 613 L C 0.164 176.954 176.870 -0.134 0.000 1.320 613 L CA 0.598 55.391 54.840 -0.077 0.000 1.225 613 L CB 0.718 42.749 42.059 -0.045 0.000 1.542 613 L HN 0.097 nan 8.230 nan 0.000 0.432 614 S N -0.653 114.939 115.700 -0.180 0.000 2.559 614 S HA 0.166 4.636 4.470 -0.000 0.000 0.226 614 S C 1.719 176.305 174.600 -0.023 0.000 1.000 614 S CA 0.296 58.289 58.200 -0.346 0.000 0.948 614 S CB 1.054 64.049 63.200 -0.343 0.000 0.870 614 S HN 0.508 nan 8.310 nan 0.000 0.497 615 A N 2.361 125.175 122.820 -0.010 0.000 2.218 615 A HA 0.243 4.563 4.320 -0.000 0.000 0.209 615 A C -1.530 176.084 177.584 0.049 0.000 1.168 615 A CA -0.041 52.017 52.037 0.034 0.000 0.804 615 A CB -0.711 18.299 19.000 0.016 0.000 0.834 615 A HN 0.398 nan 8.150 nan 0.000 0.482 616 P HA 0.389 nan 4.420 nan 0.000 0.292 616 P C -2.944 174.387 177.300 0.053 0.000 1.283 616 P CA -1.311 61.816 63.100 0.044 0.000 0.835 616 P CB 1.150 32.867 31.700 0.029 0.000 1.017 617 P HA 0.045 nan 4.420 nan 0.000 0.269 617 P C 0.330 177.596 177.300 -0.056 0.000 1.209 617 P CA -0.126 62.980 63.100 0.010 0.000 0.776 617 P CB 0.791 32.510 31.700 0.032 0.000 0.876 618 V N 2.211 122.028 119.914 -0.161 0.000 5.806 618 V HA 0.309 4.429 4.120 -0.000 0.000 0.274 618 V C 0.894 176.787 176.094 -0.335 0.000 1.486 618 V CA -0.434 61.726 62.300 -0.233 0.000 0.635 618 V CB -0.642 31.024 31.823 -0.261 0.000 1.369 618 V HN 0.374 nan 8.190 nan 0.000 0.377 619 L N 0.359 121.359 121.223 -0.373 0.000 2.448 619 L HA 0.426 4.766 4.340 -0.000 0.000 0.257 619 L C 0.226 176.950 176.870 -0.243 0.000 1.504 619 L CA -0.650 54.027 54.840 -0.272 0.000 0.852 619 L CB 0.103 42.089 42.059 -0.121 0.000 1.051 619 L HN 0.605 nan 8.230 nan 0.000 0.518 620 H N 0.600 119.654 119.070 -0.027 0.000 1.917 620 H HA -0.293 4.263 4.556 -0.000 0.000 0.393 620 H C 1.651 176.959 175.328 -0.034 0.000 2.675 620 H CA 1.686 57.715 56.048 -0.033 0.000 1.231 620 H CB -0.085 29.660 29.762 -0.028 0.000 1.454 620 H HN 0.653 nan 8.280 nan 0.000 0.356 621 T N -0.999 113.644 114.554 0.147 0.000 12.792 621 T HA -0.240 4.110 4.350 -0.000 0.000 0.419 621 T C -1.426 173.285 174.700 0.018 0.000 1.441 621 T CA 2.111 64.246 62.100 0.059 0.000 2.374 621 T CB -2.118 66.776 68.868 0.045 0.000 2.832 621 T HN 0.520 nan 8.240 nan 0.000 0.733 622 P HA 0.122 nan 4.420 nan 0.000 0.296 622 P C 0.720 177.993 177.300 -0.046 0.000 1.407 622 P CA 1.149 64.234 63.100 -0.024 0.000 0.793 622 P CB -0.110 31.570 31.700 -0.034 0.000 1.675 623 E N -0.997 119.159 120.200 -0.073 0.000 2.394 623 E HA 0.284 4.634 4.350 -0.000 0.000 0.191 623 E C 1.099 177.615 176.600 -0.141 0.000 1.044 623 E CA 0.021 56.350 56.400 -0.118 0.000 0.939 623 E CB -0.624 29.001 29.700 -0.126 0.000 1.089 623 E HN 0.211 nan 8.360 nan 0.000 0.456 624 A N 1.325 124.079 122.820 -0.109 0.000 2.016 624 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 624 A C 2.129 179.630 177.584 -0.139 0.000 1.162 624 A CA 0.570 52.529 52.037 -0.129 0.000 0.662 624 A CB -0.182 18.751 19.000 -0.112 0.000 0.812 624 A HN 0.203 nan 8.150 nan 0.000 0.450 625 R N -0.802 119.641 120.500 -0.096 0.000 2.148 625 R HA 0.096 4.436 4.340 -0.000 0.000 0.223 625 R C 1.971 178.179 176.300 -0.153 0.000 1.088 625 R CA 0.739 56.796 56.100 -0.072 0.000 0.985 625 R CB -0.377 29.916 30.300 -0.011 0.000 0.880 625 R HN 0.525 nan 8.270 nan 0.000 0.451 626 L N 1.287 122.369 121.223 -0.235 0.000 2.046 626 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 626 L C 2.620 179.269 176.870 -0.369 0.000 1.077 626 L CA 1.509 56.109 54.840 -0.400 0.000 0.747 626 L CB -0.239 41.528 42.059 -0.487 0.000 0.896 626 L HN 0.129 nan 8.230 nan 0.000 0.432 627 K N -0.109 120.093 120.400 -0.330 0.000 2.026 627 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 627 K C 1.955 178.241 176.600 -0.524 0.000 1.048 627 K CA 1.408 57.442 56.287 -0.422 0.000 0.929 627 K CB -0.114 32.138 32.500 -0.413 0.000 0.713 627 K HN 0.364 nan 8.250 nan 0.000 0.439 628 A N 1.717 124.326 122.820 -0.351 0.000 1.972 628 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 628 A C 2.117 179.651 177.584 -0.083 0.000 1.169 628 A CA 1.302 53.216 52.037 -0.206 0.000 0.635 628 A CB -0.534 18.416 19.000 -0.083 0.000 0.810 628 A HN 0.480 nan 8.150 nan 0.000 0.446 629 L N -0.398 120.768 121.223 -0.095 0.000 2.072 629 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 629 L C 2.328 179.208 176.870 0.017 0.000 1.079 629 L CA 1.323 56.156 54.840 -0.012 0.000 0.752 629 L CB -0.205 41.850 42.059 -0.008 0.000 0.906 629 L HN 0.200 nan 8.230 nan 0.000 0.436 630 V N -0.045 119.836 119.914 -0.055 0.000 2.295 630 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 630 V C 2.294 178.485 176.094 0.161 0.000 1.049 630 V CA 2.257 64.575 62.300 0.030 0.000 1.024 630 V CB -1.012 30.796 31.823 -0.025 0.000 0.648 630 V HN 0.571 nan 8.190 nan 0.000 0.447 631 H N -0.265 118.838 119.070 0.055 0.000 2.267 631 H HA -0.211 4.345 4.556 -0.000 0.000 0.297 631 H C 2.636 178.004 175.328 0.067 0.000 1.080 631 H CA 1.725 57.813 56.048 0.067 0.000 1.278 631 H CB -0.066 29.733 29.762 0.062 0.000 1.365 631 H HN 0.207 nan 8.280 nan 0.000 0.489 632 R N 1.075 121.701 120.500 0.210 0.000 2.127 632 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 632 R C 2.202 178.611 176.300 0.182 0.000 1.134 632 R CA 0.991 57.190 56.100 0.164 0.000 0.975 632 R CB 0.007 30.378 30.300 0.118 0.000 0.865 632 R HN 0.188 nan 8.270 nan 0.000 0.447 633 R N 0.728 121.326 120.500 0.163 0.000 2.066 633 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 633 R C 2.380 178.805 176.300 0.208 0.000 1.131 633 R CA 1.088 57.295 56.100 0.179 0.000 0.955 633 R CB -0.849 29.531 30.300 0.133 0.000 0.851 633 R HN 0.310 nan 8.270 nan 0.000 0.432 634 L N 0.523 121.826 121.223 0.133 0.000 2.012 634 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 634 L C 2.399 179.426 176.870 0.262 0.000 1.073 634 L CA 1.006 55.911 54.840 0.108 0.000 0.748 634 L CB -0.478 41.547 42.059 -0.057 0.000 0.891 634 L HN 0.157 nan 8.230 nan 0.000 0.431 635 L N -1.037 120.304 121.223 0.197 0.000 2.042 635 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 635 L C 2.525 179.521 176.870 0.210 0.000 1.076 635 L CA 1.993 56.949 54.840 0.194 0.000 0.749 635 L CB -1.247 40.898 42.059 0.143 0.000 0.893 635 L HN 0.249 nan 8.230 nan 0.000 0.432 636 F N 0.797 120.791 119.950 0.073 0.000 2.134 636 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 636 F C 2.402 178.200 175.800 -0.003 0.000 1.097 636 F CA 1.462 59.456 58.000 -0.009 0.000 1.264 636 F CB -0.159 38.830 39.000 -0.018 0.000 1.001 636 F HN 0.025 nan 8.300 nan 0.000 0.479 637 A N -0.716 122.159 122.820 0.091 0.000 1.930 637 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 637 A C 2.121 179.703 177.584 -0.003 0.000 1.175 637 A CA 1.427 53.489 52.037 0.042 0.000 0.627 637 A CB -1.622 17.547 19.000 0.281 0.000 0.815 637 A HN 0.649 nan 8.150 nan 0.000 0.443 638 Y N 0.893 121.197 120.300 0.007 0.000 2.070 638 Y HA -0.256 4.294 4.550 0.000 0.000 0.280 638 Y C 2.356 178.097 175.900 -0.265 0.000 1.148 638 Y CA 2.394 60.351 58.100 -0.239 0.000 1.125 638 Y CB -0.257 38.125 38.460 -0.129 0.000 0.975 638 Y HN 0.445 nan 8.280 nan 0.000 0.492 639 E N -0.293 119.765 120.200 -0.237 0.000 2.085 639 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 639 E C 2.089 178.417 176.600 -0.453 0.000 0.994 639 E CA 1.251 57.444 56.400 -0.345 0.000 0.801 639 E CB -0.185 29.390 29.700 -0.208 0.000 0.743 639 E HN 0.251 nan 8.360 nan 0.000 0.453 640 R N 0.399 120.560 120.500 -0.565 0.000 2.323 640 R HA 0.081 4.421 4.340 -0.000 0.000 0.198 640 R C -0.053 176.052 176.300 -0.325 0.000 0.988 640 R CA 0.134 55.929 56.100 -0.507 0.000 1.041 640 R CB -0.078 29.790 30.300 -0.720 0.000 0.926 640 R HN -0.024 nan 8.270 nan 0.000 0.476 641 R N 0.040 120.316 120.500 -0.373 0.000 3.336 641 R HA -0.209 4.131 4.340 -0.000 0.000 0.260 641 R C -0.999 175.169 176.300 -0.220 0.000 1.032 641 R CA 0.662 56.561 56.100 -0.335 0.000 0.693 641 R CB -2.091 28.037 30.300 -0.286 0.000 1.134 641 R HN 0.320 nan 8.270 nan 0.000 0.433 642 H N -0.223 118.702 119.070 -0.242 0.000 2.700 642 H HA 0.223 4.779 4.556 -0.000 0.000 0.269 642 H C -1.798 173.451 175.328 -0.132 0.000 1.222 642 H CA -2.528 53.430 56.048 -0.151 0.000 1.254 642 H CB 1.207 30.909 29.762 -0.100 0.000 1.413 642 H HN -0.018 nan 8.280 nan 0.000 0.507 643 P HA -0.144 nan 4.420 nan 0.000 0.217 643 P C 1.513 178.696 177.300 -0.194 0.000 1.151 643 P CA 1.704 64.568 63.100 -0.393 0.000 0.849 643 P CB 0.203 31.440 31.700 -0.771 0.000 0.787 644 G N -0.686 108.106 108.800 -0.014 0.000 2.394 644 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.214 644 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.214 644 G C 1.428 176.446 174.900 0.197 0.000 1.176 644 G CA 0.412 45.595 45.100 0.139 0.000 0.786 644 G HN 0.224 nan 8.290 nan 0.000 0.533 645 L N -0.873 120.544 121.223 0.323 0.000 2.179 645 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 645 L C 2.465 179.384 176.870 0.083 0.000 1.096 645 L CA 0.308 55.199 54.840 0.085 0.000 0.779 645 L CB -0.291 41.709 42.059 -0.100 0.000 0.922 645 L HN 0.188 nan 8.230 nan 0.000 0.443 646 F N 0.604 120.543 119.950 -0.018 0.000 2.075 646 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 646 F C 2.630 178.320 175.800 -0.183 0.000 1.113 646 F CA 1.754 59.697 58.000 -0.095 0.000 1.218 646 F CB -0.259 38.662 39.000 -0.133 0.000 0.984 646 F HN -0.064 nan 8.300 nan 0.000 0.472 647 S N -0.220 115.333 115.700 -0.245 0.000 2.370 647 S HA -0.263 4.207 4.470 -0.000 0.000 0.226 647 S C 1.992 176.502 174.600 -0.149 0.000 1.033 647 S CA 1.492 59.428 58.200 -0.440 0.000 1.011 647 S CB -0.558 62.402 63.200 -0.401 0.000 0.852 647 S HN 0.581 nan 8.310 nan 0.000 0.457 648 E N 1.261 121.433 120.200 -0.047 0.000 2.072 648 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 648 E C 2.143 178.727 176.600 -0.027 0.000 0.985 648 E CA 0.968 57.386 56.400 0.029 0.000 0.801 648 E CB -0.247 29.486 29.700 0.056 0.000 0.750 648 E HN 0.476 nan 8.360 nan 0.000 0.452 649 A N 1.071 123.823 122.820 -0.113 0.000 1.930 649 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 649 A C 2.109 179.538 177.584 -0.258 0.000 1.175 649 A CA 1.072 53.031 52.037 -0.131 0.000 0.627 649 A CB -0.564 18.352 19.000 -0.140 0.000 0.815 649 A HN 0.380 nan 8.150 nan 0.000 0.443 650 L N -0.019 120.901 121.223 -0.505 0.000 2.046 650 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 650 L C 2.260 178.736 176.870 -0.657 0.000 1.077 650 L CA 1.586 55.996 54.840 -0.716 0.000 0.747 650 L CB -0.574 40.991 42.059 -0.824 0.000 0.896 650 L HN 0.419 nan 8.230 nan 0.000 0.432 651 L N -0.826 120.279 121.223 -0.196 0.000 2.046 651 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 651 L C 2.644 179.575 176.870 0.101 0.000 1.077 651 L CA 1.264 56.163 54.840 0.099 0.000 0.747 651 L CB -1.047 41.171 42.059 0.264 0.000 0.896 651 L HN 0.366 nan 8.230 nan 0.000 0.432 652 A N -0.711 122.140 122.820 0.051 0.000 1.930 652 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 652 A C 2.198 179.813 177.584 0.052 0.000 1.175 652 A CA 1.387 53.469 52.037 0.075 0.000 0.627 652 A CB -0.861 18.194 19.000 0.091 0.000 0.815 652 A HN 0.480 nan 8.150 nan 0.000 0.443 653 Y N -0.629 119.589 120.300 -0.136 0.000 2.128 653 Y HA -0.301 4.249 4.550 -0.000 0.000 0.284 653 Y C 2.142 178.055 175.900 0.022 0.000 1.154 653 Y CA 2.026 60.055 58.100 -0.118 0.000 1.149 653 Y CB -0.494 37.806 38.460 -0.267 0.000 0.976 653 Y HN 0.492 nan 8.280 nan 0.000 0.505 654 W N 0.311 121.715 121.300 0.172 0.000 2.333 654 W HA -0.201 4.459 4.660 -0.000 0.000 0.316 654 W C 2.452 178.944 176.519 -0.044 0.000 1.215 654 W CA 0.937 58.320 57.345 0.063 0.000 1.278 654 W CB -0.584 28.943 29.460 0.112 0.000 1.154 654 W HN 0.053 nan 8.180 nan 0.000 0.486 655 E N 0.818 121.163 120.200 0.240 0.000 2.077 655 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 655 E C 1.966 178.567 176.600 0.000 0.000 0.989 655 E CA 1.833 58.295 56.400 0.104 0.000 0.800 655 E CB -0.453 29.309 29.700 0.103 0.000 0.746 655 E HN 0.133 nan 8.360 nan 0.000 0.452 656 V N -0.590 119.287 119.914 -0.062 0.000 3.593 656 V HA 0.093 4.213 4.120 -0.000 0.000 0.275 656 V C 0.408 176.415 176.094 -0.145 0.000 1.237 656 V CA 0.990 63.212 62.300 -0.129 0.000 1.194 656 V CB -0.600 31.108 31.823 -0.192 0.000 0.949 656 V HN 0.121 nan 8.190 nan 0.000 0.467 657 N N 0.033 118.664 118.700 -0.115 0.000 2.113 657 N HA 0.180 4.920 4.740 -0.000 0.000 0.223 657 N C 0.913 176.393 175.510 -0.049 0.000 1.310 657 N CA -0.170 52.812 53.050 -0.113 0.000 0.896 657 N CB 0.420 38.794 38.487 -0.189 0.000 1.097 657 N HN 0.533 nan 8.380 nan 0.000 0.507 658 R N 0.000 120.486 120.500 -0.023 0.000 2.786 658 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 658 R CA 0.000 56.094 56.100 -0.009 0.000 0.921 658 R CB 0.000 30.302 30.300 0.003 0.000 0.687 658 R HN 0.000 nan 8.270 nan 0.000 0.535