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 2z63_1_A DATA FIRST_RESID 27 DATA SEQUENCE EPcVEVVPNI TYQcMELNFY KIPDNLPFST KNLDLSFNPL RHLGSYSFFS DATA SEQUENCE FPELQVLDLS RCEIQTIEDG AYQSLSHLST LILTGNPIQS LALGAFSGLS DATA SEQUENCE SLQKLVAVET NLASLENFPI GHLKTLKELN VAHNLIQSFK LPEYFSNLTN DATA SEQUENCE LEHLDLSSNK IQSIYCTDLR VLHQMPLLNL SLDLSLNPMN FIQPGAFKEI DATA SEQUENCE RLHKLTLRNN FDSLNVMKTC IQGLAGLEVH RLVLGEFRNE GNLEKFDKSA DATA SEQUENCE LEGLcNLTIE EFRLAYLDYY LDDIIDLFNc LTNVSSFSLV SVTIERVKDF DATA SEQUENCE SYNFGWQHLE LVNCKFGQFP TLKLKSLKRL TFTSNKGGNA FSEVDLPSLE DATA SEQUENCE FLDLSRNGLS FKGCCSQSDF GTTSLKYLDL SFNGVITMSS NFLGLEQLEH DATA SEQUENCE LDFQHSNLKQ MSEFSVFLSL RNLIYLDISH THTRVAFNGI FNGLSSLEVL DATA SEQUENCE KMAGNSFQEN FLPDIFTELR NLTFLDLSQC QLEQLSPTAF NSLSSLQVLN DATA SEQUENCE MASNQLKSVP DGIFDRLTSL QKIWLHTNPW DcScPRIDYL SRWLNKNSQK DATA SEQUENCE EQGSAKcSGS GKPVRSIIcP 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 27 E HA 0.000 nan 4.350 nan 0.000 0.291 27 E C 0.000 176.645 176.600 0.075 0.000 1.382 27 E CA 0.000 56.437 56.400 0.061 0.000 0.976 27 E CB 0.000 29.742 29.700 0.071 0.000 0.812 28 P HA -0.133 nan 4.420 nan 0.000 0.215 28 P C 0.172 177.517 177.300 0.075 0.000 1.163 28 P CA 0.739 63.884 63.100 0.075 0.000 0.894 28 P CB 0.089 31.869 31.700 0.134 0.000 0.791 29 c N 0.653 119.342 118.600 0.149 0.000 2.633 29 c HA 0.085 4.670 4.570 0.024 0.000 0.415 29 c C 0.862 175.055 174.090 0.172 0.000 1.393 29 c CA -0.735 55.697 56.329 0.171 0.000 1.700 29 c CB -1.014 41.627 42.510 0.218 0.000 2.541 29 c HN 0.024 nan 8.230 nan 0.000 0.603 30 V N 4.693 124.687 119.914 0.134 0.000 2.673 30 V HA 0.075 4.209 4.120 0.024 0.000 0.303 30 V C 0.475 176.667 176.094 0.164 0.000 1.046 30 V CA 0.272 62.637 62.300 0.109 0.000 1.126 30 V CB 0.392 32.247 31.823 0.053 0.000 0.934 30 V HN 0.884 nan 8.190 nan 0.000 0.487 31 E N 3.862 124.127 120.200 0.108 0.000 2.113 31 E HA 0.393 4.757 4.350 0.024 0.000 0.273 31 E C -0.222 176.321 176.600 -0.095 0.000 0.924 31 E CA -0.583 55.823 56.400 0.009 0.000 0.764 31 E CB 1.716 31.466 29.700 0.084 0.000 1.104 31 E HN 0.437 nan 8.360 nan 0.000 0.406 32 V N 3.831 123.628 119.914 -0.195 0.000 2.521 32 V HA 0.084 4.218 4.120 0.024 0.000 0.239 32 V C 0.261 176.260 176.094 -0.158 0.000 1.053 32 V CA 0.226 62.442 62.300 -0.141 0.000 1.073 32 V CB 0.769 32.519 31.823 -0.121 0.000 0.746 32 V HN 0.547 nan 8.190 nan 0.000 0.476 33 V N 1.308 121.077 119.914 -0.243 0.000 2.569 33 V HA 0.429 4.563 4.120 0.024 0.000 0.301 33 V C -2.808 173.124 176.094 -0.269 0.000 1.044 33 V CA -1.983 60.202 62.300 -0.192 0.000 0.874 33 V CB 1.450 33.190 31.823 -0.137 0.000 1.002 33 V HN 0.217 nan 8.190 nan 0.000 0.424 34 P HA 0.078 nan 4.420 nan 0.000 0.266 34 P C 0.686 177.954 177.300 -0.053 0.000 1.193 34 P CA 0.399 63.436 63.100 -0.105 0.000 0.770 34 P CB 0.199 31.881 31.700 -0.030 0.000 0.836 35 N N 0.474 119.215 118.700 0.068 0.000 2.627 35 N HA -0.236 4.518 4.740 0.024 0.000 0.248 35 N C 0.512 176.083 175.510 0.101 0.000 1.173 35 N CA 1.133 54.264 53.050 0.135 0.000 0.741 35 N CB -0.910 37.625 38.487 0.079 0.000 1.128 35 N HN 0.459 nan 8.380 nan 0.000 0.562 36 I N -1.832 118.734 120.570 -0.007 0.000 3.814 36 I HA 0.034 4.218 4.170 0.024 0.000 0.264 36 I C 0.345 176.434 176.117 -0.046 0.000 1.145 36 I CA 0.585 61.874 61.300 -0.019 0.000 1.375 36 I CB 0.608 38.575 38.000 -0.056 0.000 1.638 36 I HN -0.171 nan 8.210 nan 0.000 0.432 37 T N 0.786 115.192 114.554 -0.247 0.000 2.893 37 T HA 0.626 4.990 4.350 0.024 0.000 0.291 37 T C -1.594 172.795 174.700 -0.518 0.000 1.028 37 T CA -0.258 61.713 62.100 -0.215 0.000 0.995 37 T CB 1.835 70.602 68.868 -0.168 0.000 1.051 37 T HN -0.081 nan 8.240 nan 0.000 0.470 38 Y N 0.921 121.235 120.300 0.023 0.000 2.441 38 Y HA 0.394 4.958 4.550 0.025 0.000 0.334 38 Y C -0.016 175.904 175.900 0.033 0.000 1.061 38 Y CA -0.897 57.226 58.100 0.038 0.000 1.032 38 Y CB 2.128 40.629 38.460 0.069 0.000 1.266 38 Y HN 0.488 nan 8.280 nan 0.000 0.441 39 Q N 2.671 122.572 119.800 0.168 0.000 2.563 39 Q HA 0.330 4.684 4.340 0.024 0.000 0.232 39 Q C -0.768 175.302 176.000 0.117 0.000 1.106 39 Q CA -0.334 55.533 55.803 0.107 0.000 0.913 39 Q CB 0.246 29.016 28.738 0.053 0.000 1.175 39 Q HN 0.931 nan 8.270 nan 0.000 0.540 40 c N 4.061 122.749 118.600 0.148 0.000 2.289 40 c HA 0.197 4.781 4.570 0.024 0.000 0.391 40 c C 0.884 174.991 174.090 0.027 0.000 1.304 40 c CA -0.401 56.005 56.329 0.128 0.000 1.679 40 c CB -1.826 40.878 42.510 0.324 0.000 1.885 40 c HN 0.752 nan 8.230 nan 0.000 0.587 41 M N 1.827 121.442 119.600 0.025 0.000 2.245 41 M HA 0.053 4.547 4.480 0.024 0.000 0.344 41 M C 0.842 177.114 176.300 -0.046 0.000 1.170 41 M CA 0.741 56.058 55.300 0.029 0.000 1.135 41 M CB 0.288 32.903 32.600 0.026 0.000 1.574 41 M HN 0.392 nan 8.290 nan 0.000 0.452 42 E N 4.040 124.240 120.200 -0.000 0.000 2.012 42 E HA -0.216 4.149 4.350 0.024 0.000 0.171 42 E C -1.107 175.396 176.600 -0.161 0.000 1.512 42 E CA 0.748 57.119 56.400 -0.049 0.000 0.577 42 E CB -0.745 28.905 29.700 -0.085 0.000 1.034 42 E HN 0.746 nan 8.360 nan 0.000 0.293 43 L N 2.435 123.481 121.223 -0.296 0.000 3.229 43 L HA 0.157 4.512 4.340 0.024 0.000 0.286 43 L C 1.150 177.771 176.870 -0.415 0.000 1.239 43 L CA -0.202 54.356 54.840 -0.471 0.000 1.035 43 L CB 0.167 41.678 42.059 -0.914 0.000 1.408 43 L HN 0.357 nan 8.230 nan 0.000 0.593 44 N N 0.954 119.514 118.700 -0.234 0.000 2.693 44 N HA -0.254 4.500 4.740 0.024 0.000 0.249 44 N C -0.084 175.379 175.510 -0.078 0.000 1.119 44 N CA 0.542 53.499 53.050 -0.156 0.000 0.717 44 N CB -1.008 37.449 38.487 -0.049 0.000 1.071 44 N HN 0.289 nan 8.380 nan 0.000 0.555 45 F N 0.398 120.294 119.950 -0.091 0.000 2.546 45 F HA -0.120 4.422 4.527 0.025 0.000 0.388 45 F C 1.472 177.191 175.800 -0.135 0.000 1.051 45 F CA -0.376 57.596 58.000 -0.047 0.000 1.130 45 F CB 0.132 39.125 39.000 -0.011 0.000 1.044 45 F HN 0.097 nan 8.300 nan 0.000 0.553 46 Y N 2.379 122.805 120.300 0.210 0.000 2.523 46 Y HA 0.103 4.667 4.550 0.025 0.000 0.279 46 Y C 0.472 176.401 175.900 0.048 0.000 1.139 46 Y CA 0.483 58.645 58.100 0.103 0.000 1.296 46 Y CB 0.229 38.728 38.460 0.065 0.000 1.045 46 Y HN 0.314 nan 8.280 nan 0.000 0.538 47 K N -0.195 120.281 120.400 0.125 0.000 2.477 47 K HA 0.409 4.744 4.320 0.024 0.000 0.255 47 K C -1.262 175.251 176.600 -0.145 0.000 0.952 47 K CA -1.068 55.214 56.287 -0.008 0.000 0.826 47 K CB 2.179 34.667 32.500 -0.021 0.000 1.331 47 K HN -0.237 nan 8.250 nan 0.000 0.437 48 I N 3.558 124.025 120.570 -0.172 0.000 2.668 48 I HA 0.024 4.209 4.170 0.024 0.000 0.285 48 I C -1.842 174.107 176.117 -0.280 0.000 1.168 48 I CA -1.213 59.955 61.300 -0.220 0.000 1.424 48 I CB -0.347 37.480 38.000 -0.289 0.000 1.377 48 I HN 0.323 nan 8.210 nan 0.000 0.560 49 P HA 0.027 nan 4.420 nan 0.000 0.265 49 P C -0.371 176.821 177.300 -0.180 0.000 1.222 49 P CA -0.133 62.703 63.100 -0.439 0.000 0.767 49 P CB 0.580 31.993 31.700 -0.479 0.000 0.801 50 D N 2.133 122.410 120.400 -0.206 0.000 2.333 50 D HA -0.133 4.522 4.640 0.024 0.000 0.208 50 D C 1.096 177.271 176.300 -0.208 0.000 0.984 50 D CA 0.441 54.326 54.000 -0.193 0.000 0.873 50 D CB -0.769 39.965 40.800 -0.110 0.000 0.935 50 D HN 0.323 nan 8.370 nan 0.000 0.521 51 N N 0.416 119.003 118.700 -0.189 0.000 2.459 51 N HA -0.071 4.684 4.740 0.024 0.000 0.181 51 N C 0.382 175.729 175.510 -0.272 0.000 1.046 51 N CA 0.211 53.149 53.050 -0.187 0.000 0.904 51 N CB -0.208 38.208 38.487 -0.117 0.000 0.964 51 N HN 0.186 nan 8.380 nan 0.000 0.444 52 L N 0.741 121.781 121.223 -0.306 0.000 2.464 52 L HA 0.308 4.662 4.340 0.024 0.000 0.264 52 L C -1.510 175.030 176.870 -0.550 0.000 1.199 52 L CA -2.045 52.558 54.840 -0.394 0.000 0.818 52 L CB 0.018 41.950 42.059 -0.212 0.000 1.102 52 L HN 0.121 nan 8.230 nan 0.000 0.473 53 P HA -0.006 nan 4.420 nan 0.000 0.272 53 P C 0.027 177.013 177.300 -0.522 0.000 1.254 53 P CA 0.143 62.943 63.100 -0.501 0.000 0.795 53 P CB 0.398 32.018 31.700 -0.134 0.000 1.022 54 F N -0.952 118.928 119.950 -0.116 0.000 2.714 54 F HA -0.012 4.529 4.527 0.024 0.000 0.294 54 F C 2.384 178.190 175.800 0.011 0.000 1.120 54 F CA 0.483 58.403 58.000 -0.134 0.000 1.398 54 F CB -0.257 38.680 39.000 -0.106 0.000 1.120 54 F HN 0.213 nan 8.300 nan 0.000 0.589 55 S N -1.191 114.623 115.700 0.190 0.000 2.558 55 S HA 0.003 4.487 4.470 0.024 0.000 0.217 55 S C 0.777 175.485 174.600 0.179 0.000 0.975 55 S CA -0.140 58.159 58.200 0.165 0.000 0.912 55 S CB -1.035 62.239 63.200 0.122 0.000 0.776 55 S HN 0.055 nan 8.310 nan 0.000 0.526 56 T N 3.369 118.084 114.554 0.267 0.000 2.822 56 T HA 0.087 4.451 4.350 0.024 0.000 0.288 56 T C 0.827 175.657 174.700 0.217 0.000 0.991 56 T CA 0.364 62.657 62.100 0.323 0.000 1.176 56 T CB 0.580 69.764 68.868 0.527 0.000 0.951 56 T HN 0.435 nan 8.240 nan 0.000 0.526 57 K N 2.175 122.637 120.400 0.104 0.000 2.334 57 K HA 0.107 4.441 4.320 0.024 0.000 0.195 57 K C 0.249 176.843 176.600 -0.009 0.000 1.045 57 K CA 0.275 56.569 56.287 0.012 0.000 1.004 57 K CB 0.366 32.838 32.500 -0.046 0.000 0.837 57 K HN 0.445 nan 8.250 nan 0.000 0.510 58 N N 1.205 119.913 118.700 0.014 0.000 2.410 58 N HA 0.239 4.994 4.740 0.024 0.000 0.287 58 N C -1.768 173.749 175.510 0.013 0.000 1.044 58 N CA -0.520 52.523 53.050 -0.012 0.000 0.881 58 N CB 2.437 40.911 38.487 -0.023 0.000 1.405 58 N HN -0.089 nan 8.380 nan 0.000 0.490 59 L N 1.663 122.860 121.223 -0.044 0.000 2.404 59 L HA 0.452 4.807 4.340 0.024 0.000 0.272 59 L C -1.152 175.705 176.870 -0.021 0.000 0.980 59 L CA -0.390 54.419 54.840 -0.052 0.000 0.836 59 L CB 1.503 43.398 42.059 -0.274 0.000 1.238 59 L HN 0.362 nan 8.230 nan 0.000 0.408 60 D N 5.081 125.506 120.400 0.042 0.000 2.392 60 D HA 0.318 4.972 4.640 0.024 0.000 0.228 60 D C -0.067 176.294 176.300 0.101 0.000 1.074 60 D CA -0.079 53.957 54.000 0.060 0.000 0.838 60 D CB 1.207 42.045 40.800 0.063 0.000 1.067 60 D HN 0.649 nan 8.370 nan 0.000 0.511 61 L N 2.780 124.069 121.223 0.110 0.000 3.017 61 L HA 0.129 4.483 4.340 0.024 0.000 0.255 61 L C 0.767 177.718 176.870 0.135 0.000 1.247 61 L CA -0.346 54.588 54.840 0.156 0.000 1.038 61 L CB 0.120 42.289 42.059 0.184 0.000 1.380 61 L HN 0.255 nan 8.230 nan 0.000 0.548 62 S N -0.670 115.109 115.700 0.131 0.000 2.562 62 S HA 0.258 4.743 4.470 0.024 0.000 0.281 62 S C 0.293 175.051 174.600 0.264 0.000 1.333 62 S CA -0.352 57.926 58.200 0.131 0.000 1.052 62 S CB 0.186 63.502 63.200 0.194 0.000 0.884 62 S HN 0.298 nan 8.310 nan 0.000 0.506 63 F N -0.297 119.658 119.950 0.010 0.000 3.040 63 F HA -0.154 4.388 4.527 0.025 0.000 0.298 63 F C 0.004 175.779 175.800 -0.041 0.000 0.948 63 F CA 0.312 58.303 58.000 -0.014 0.000 1.022 63 F CB -2.059 36.927 39.000 -0.024 0.000 1.023 63 F HN 0.690 nan 8.300 nan 0.000 0.742 64 N N 0.519 119.257 118.700 0.064 0.000 2.410 64 N HA 0.307 5.062 4.740 0.024 0.000 0.287 64 N C -2.629 172.847 175.510 -0.056 0.000 1.044 64 N CA -1.732 51.319 53.050 0.001 0.000 0.881 64 N CB 2.121 40.657 38.487 0.082 0.000 1.405 64 N HN -0.298 nan 8.380 nan 0.000 0.490 65 P HA 0.067 nan 4.420 nan 0.000 0.232 65 P C 0.878 178.100 177.300 -0.130 0.000 1.606 65 P CA 0.246 63.217 63.100 -0.215 0.000 1.105 65 P CB -0.209 31.201 31.700 -0.483 0.000 1.919 66 L N -0.355 120.865 121.223 -0.004 0.000 2.156 66 L HA -0.134 4.221 4.340 0.024 0.000 0.208 66 L C 1.823 178.770 176.870 0.129 0.000 1.095 66 L CA 0.742 55.621 54.840 0.066 0.000 0.770 66 L CB -0.557 41.544 42.059 0.069 0.000 0.914 66 L HN 0.132 nan 8.230 nan 0.000 0.439 67 R N -1.737 118.848 120.500 0.141 0.000 1.247 67 R HA -0.223 4.131 4.340 0.024 0.000 0.031 67 R C 0.235 176.723 176.300 0.313 0.000 0.958 67 R CA 2.144 58.394 56.100 0.250 0.000 1.979 67 R CB -1.167 29.323 30.300 0.317 0.000 0.185 67 R HN 0.464 nan 8.270 nan 0.000 0.728 68 H N -0.934 118.157 119.070 0.035 0.000 2.589 68 H HA 0.434 5.004 4.556 0.024 0.000 0.351 68 H C -1.093 174.228 175.328 -0.011 0.000 1.074 68 H CA -1.164 54.892 56.048 0.013 0.000 1.203 68 H CB 1.634 31.404 29.762 0.013 0.000 1.558 68 H HN -0.148 nan 8.280 nan 0.000 0.522 69 L N 2.797 124.053 121.223 0.056 0.000 2.262 69 L HA 0.320 4.674 4.340 0.024 0.000 0.288 69 L C 0.812 177.652 176.870 -0.050 0.000 1.035 69 L CA 0.012 54.831 54.840 -0.035 0.000 0.820 69 L CB 1.103 43.108 42.059 -0.091 0.000 1.204 69 L HN 0.799 nan 8.230 nan 0.000 0.424 70 G N 1.529 110.309 108.800 -0.033 0.000 2.557 70 G HA2 0.305 4.280 3.960 0.024 0.000 0.292 70 G HA3 0.305 4.280 3.960 0.024 0.000 0.292 70 G C -0.329 174.561 174.900 -0.017 0.000 1.237 70 G CA -0.497 44.600 45.100 -0.005 0.000 0.978 70 G HN 0.484 nan 8.290 nan 0.000 0.498 71 S N -1.080 114.637 115.700 0.028 0.000 2.546 71 S HA 0.091 4.576 4.470 0.024 0.000 0.290 71 S C -0.120 174.606 174.600 0.210 0.000 1.290 71 S CA 0.164 58.405 58.200 0.068 0.000 1.069 71 S CB -0.503 62.792 63.200 0.159 0.000 0.846 71 S HN 0.569 nan 8.310 nan 0.000 0.495 72 Y N 1.908 122.238 120.300 0.049 0.000 3.589 72 Y HA -0.252 4.313 4.550 0.024 0.000 0.218 72 Y C 1.710 177.738 175.900 0.213 0.000 1.234 72 Y CA 0.652 58.843 58.100 0.150 0.000 1.576 72 Y CB -2.562 35.977 38.460 0.132 0.000 1.487 72 Y HN 0.634 nan 8.280 nan 0.000 0.616 73 S N -1.140 114.623 115.700 0.104 0.000 2.441 73 S HA -0.180 4.304 4.470 0.024 0.000 0.242 73 S C 0.824 175.186 174.600 -0.397 0.000 1.018 73 S CA 1.571 59.654 58.200 -0.194 0.000 0.988 73 S CB -0.272 62.620 63.200 -0.515 0.000 0.778 73 S HN 0.487 nan 8.310 nan 0.000 0.498 74 F N 0.191 120.254 119.950 0.189 0.000 2.835 74 F HA 0.307 4.848 4.527 0.024 0.000 0.342 74 F C 0.838 176.754 175.800 0.194 0.000 1.202 74 F CA -1.252 56.860 58.000 0.186 0.000 1.240 74 F CB -0.367 38.766 39.000 0.220 0.000 1.005 74 F HN 0.176 nan 8.300 nan 0.000 0.507 75 F N -0.890 119.235 119.950 0.292 0.000 2.333 75 F HA -0.083 4.459 4.527 0.025 0.000 0.300 75 F C 1.822 177.697 175.800 0.125 0.000 1.083 75 F CA 0.921 59.046 58.000 0.208 0.000 1.395 75 F CB -1.150 37.916 39.000 0.109 0.000 1.056 75 F HN 0.048 nan 8.300 nan 0.000 0.529 76 S N -1.400 114.056 115.700 -0.407 0.000 2.597 76 S HA 0.244 4.729 4.470 0.024 0.000 0.224 76 S C -0.176 174.141 174.600 -0.472 0.000 0.955 76 S CA -0.449 57.498 58.200 -0.421 0.000 0.933 76 S CB -1.060 61.712 63.200 -0.714 0.000 0.788 76 S HN 0.264 nan 8.310 nan 0.000 0.488 77 F N 1.399 121.433 119.950 0.140 0.000 2.660 77 F HA 0.439 4.980 4.527 0.024 0.000 0.352 77 F C -2.305 173.588 175.800 0.155 0.000 1.257 77 F CA -2.151 55.951 58.000 0.171 0.000 1.200 77 F CB 1.578 40.684 39.000 0.176 0.000 1.473 77 F HN -0.025 nan 8.300 nan 0.000 0.561 78 P HA -0.127 nan 4.420 nan 0.000 0.217 78 P C 1.086 178.494 177.300 0.181 0.000 1.150 78 P CA 1.390 64.600 63.100 0.183 0.000 0.832 78 P CB 0.375 32.146 31.700 0.118 0.000 0.787 79 E N -0.971 119.333 120.200 0.174 0.000 2.479 79 E HA 0.087 4.452 4.350 0.024 0.000 0.193 79 E C 0.477 177.088 176.600 0.019 0.000 1.049 79 E CA -0.215 56.237 56.400 0.087 0.000 0.870 79 E CB -0.057 29.681 29.700 0.064 0.000 0.944 79 E HN 0.308 nan 8.360 nan 0.000 0.492 80 L N 1.847 123.133 121.223 0.104 0.000 2.601 80 L HA -0.133 4.222 4.340 0.024 0.000 0.277 80 L C 1.413 178.265 176.870 -0.029 0.000 1.219 80 L CA 0.770 55.632 54.840 0.035 0.000 0.915 80 L CB 0.408 42.482 42.059 0.025 0.000 1.160 80 L HN 0.135 nan 8.230 nan 0.000 0.494 81 Q N 2.607 122.362 119.800 -0.076 0.000 2.431 81 Q HA 0.179 4.534 4.340 0.024 0.000 0.244 81 Q C -0.591 175.370 176.000 -0.065 0.000 0.880 81 Q CA 0.232 55.995 55.803 -0.067 0.000 0.954 81 Q CB 1.112 29.783 28.738 -0.112 0.000 1.105 81 Q HN 0.490 nan 8.270 nan 0.000 0.558 82 V N 1.861 121.729 119.914 -0.076 0.000 2.531 82 V HA 0.401 4.535 4.120 0.024 0.000 0.301 82 V C -1.255 174.775 176.094 -0.107 0.000 1.034 82 V CA -0.781 61.469 62.300 -0.082 0.000 0.865 82 V CB 2.039 33.827 31.823 -0.058 0.000 0.995 82 V HN 0.088 nan 8.190 nan 0.000 0.424 83 L N 3.935 125.080 121.223 -0.129 0.000 2.406 83 L HA 0.669 5.024 4.340 0.024 0.000 0.270 83 L C -0.990 175.826 176.870 -0.090 0.000 0.982 83 L CA 0.039 54.787 54.840 -0.154 0.000 0.843 83 L CB 1.619 43.509 42.059 -0.281 0.000 1.225 83 L HN 0.679 nan 8.230 nan 0.000 0.412 84 D N 4.965 125.343 120.400 -0.038 0.000 2.392 84 D HA 0.333 4.988 4.640 0.024 0.000 0.228 84 D C -0.130 176.194 176.300 0.040 0.000 1.074 84 D CA -0.036 53.965 54.000 0.001 0.000 0.838 84 D CB 1.058 41.866 40.800 0.014 0.000 1.067 84 D HN 0.609 nan 8.370 nan 0.000 0.511 85 L N 2.403 123.655 121.223 0.049 0.000 3.110 85 L HA 0.224 4.578 4.340 0.024 0.000 0.266 85 L C 0.505 177.385 176.870 0.016 0.000 1.257 85 L CA -0.383 54.505 54.840 0.081 0.000 1.038 85 L CB 0.378 42.536 42.059 0.165 0.000 1.395 85 L HN 0.152 nan 8.230 nan 0.000 0.566 86 S N 1.196 116.879 115.700 -0.028 0.000 2.596 86 S HA 0.062 4.546 4.470 0.024 0.000 0.298 86 S C 0.860 175.272 174.600 -0.312 0.000 1.255 86 S CA 0.121 58.247 58.200 -0.124 0.000 1.083 86 S CB 0.020 63.163 63.200 -0.094 0.000 0.837 86 S HN 0.470 nan 8.310 nan 0.000 0.499 87 R N 0.884 121.200 120.500 -0.306 0.000 3.423 87 R HA -0.166 4.188 4.340 0.024 0.000 0.271 87 R C -0.495 175.614 176.300 -0.318 0.000 1.093 87 R CA 0.369 56.212 56.100 -0.428 0.000 0.730 87 R CB -2.386 27.366 30.300 -0.915 0.000 1.190 87 R HN 0.681 nan 8.270 nan 0.000 0.437 88 C N 1.674 120.890 119.300 -0.140 0.000 2.336 88 C HA 0.060 4.534 4.460 0.024 0.000 0.332 88 C C 0.910 175.894 174.990 -0.009 0.000 1.375 88 C CA 0.198 59.185 59.018 -0.052 0.000 1.785 88 C CB -1.113 26.633 27.740 0.010 0.000 2.407 88 C HN 0.670 nan 8.230 nan 0.000 0.562 89 E N 0.109 120.297 120.200 -0.020 0.000 2.113 89 E HA -0.266 4.098 4.350 0.024 0.000 0.203 89 E C -0.569 176.058 176.600 0.045 0.000 1.346 89 E CA 0.475 56.885 56.400 0.016 0.000 0.708 89 E CB -1.300 28.419 29.700 0.031 0.000 1.085 89 E HN 0.754 nan 8.360 nan 0.000 0.338 90 I N 1.445 122.040 120.570 0.041 0.000 2.363 90 I HA -0.023 4.162 4.170 0.024 0.000 0.292 90 I C 1.661 177.787 176.117 0.015 0.000 1.075 90 I CA 0.145 61.473 61.300 0.047 0.000 1.333 90 I CB 0.904 38.944 38.000 0.068 0.000 1.415 90 I HN 0.318 nan 8.210 nan 0.000 0.502 91 Q N 4.051 123.832 119.800 -0.031 0.000 2.324 91 Q HA 0.028 4.383 4.340 0.024 0.000 0.207 91 Q C 0.613 176.536 176.000 -0.128 0.000 0.928 91 Q CA 0.638 56.397 55.803 -0.073 0.000 0.890 91 Q CB 0.755 29.441 28.738 -0.088 0.000 1.001 91 Q HN 0.661 nan 8.270 nan 0.000 0.517 92 T N 0.104 114.520 114.554 -0.230 0.000 2.863 92 T HA 0.603 4.967 4.350 0.024 0.000 0.285 92 T C -1.161 173.468 174.700 -0.119 0.000 1.009 92 T CA -0.690 61.292 62.100 -0.197 0.000 0.989 92 T CB 1.022 69.718 68.868 -0.287 0.000 1.004 92 T HN 0.210 nan 8.240 nan 0.000 0.455 93 I N 4.148 124.660 120.570 -0.096 0.000 2.439 93 I HA 0.343 4.527 4.170 0.024 0.000 0.283 93 I C 0.400 176.440 176.117 -0.128 0.000 1.023 93 I CA -0.727 60.507 61.300 -0.110 0.000 1.100 93 I CB 1.795 39.727 38.000 -0.113 0.000 1.238 93 I HN 0.639 nan 8.210 nan 0.000 0.445 94 E N 3.907 124.039 120.200 -0.113 0.000 2.369 94 E HA 0.151 4.516 4.350 0.024 0.000 0.255 94 E C -0.882 175.648 176.600 -0.117 0.000 1.172 94 E CA -0.703 55.642 56.400 -0.091 0.000 0.932 94 E CB 0.784 30.451 29.700 -0.055 0.000 1.040 94 E HN 0.437 nan 8.360 nan 0.000 0.454 95 D N -0.065 120.282 120.400 -0.088 0.000 2.424 95 D HA 0.246 4.901 4.640 0.024 0.000 0.244 95 D C 0.801 177.032 176.300 -0.115 0.000 1.134 95 D CA 0.891 54.839 54.000 -0.087 0.000 0.881 95 D CB 0.457 41.225 40.800 -0.053 0.000 1.191 95 D HN 0.681 nan 8.370 nan 0.000 0.445 96 G N 1.396 110.117 108.800 -0.131 0.000 2.160 96 G HA2 -0.293 3.682 3.960 0.024 0.000 0.251 96 G HA3 -0.293 3.682 3.960 0.024 0.000 0.251 96 G C 1.180 175.910 174.900 -0.284 0.000 1.008 96 G CA 0.480 45.436 45.100 -0.239 0.000 0.724 96 G HN 0.728 nan 8.290 nan 0.000 0.514 97 A N -0.895 121.790 122.820 -0.225 0.000 1.978 97 A HA 0.163 4.498 4.320 0.024 0.000 0.220 97 A C 1.566 178.993 177.584 -0.260 0.000 1.170 97 A CA 1.962 53.816 52.037 -0.303 0.000 0.636 97 A CB -0.277 18.431 19.000 -0.486 0.000 0.810 97 A HN 0.960 nan 8.150 nan 0.000 0.448 98 Y N -1.693 118.661 120.300 0.090 0.000 2.681 98 Y HA 0.232 4.796 4.550 0.024 0.000 0.267 98 Y C 1.801 177.717 175.900 0.026 0.000 1.166 98 Y CA -0.122 58.050 58.100 0.120 0.000 1.209 98 Y CB 0.137 38.627 38.460 0.050 0.000 1.161 98 Y HN 0.267 nan 8.280 nan 0.000 0.534 99 Q N 1.645 121.437 119.800 -0.014 0.000 2.173 99 Q HA -0.203 4.152 4.340 0.024 0.000 0.208 99 Q C 2.068 178.098 176.000 0.051 0.000 0.989 99 Q CA 2.380 58.105 55.803 -0.130 0.000 0.872 99 Q CB -0.191 28.137 28.738 -0.684 0.000 0.909 99 Q HN 0.422 nan 8.270 nan 0.000 0.420 100 S N -1.705 114.099 115.700 0.173 0.000 2.577 100 S HA 0.171 4.656 4.470 0.024 0.000 0.219 100 S C 0.593 175.305 174.600 0.187 0.000 0.962 100 S CA -0.348 57.985 58.200 0.222 0.000 0.921 100 S CB -0.016 63.375 63.200 0.319 0.000 0.789 100 S HN 0.326 nan 8.310 nan 0.000 0.497 101 L N 2.459 123.781 121.223 0.167 0.000 2.727 101 L HA 0.312 4.666 4.340 0.024 0.000 0.237 101 L C 0.985 177.906 176.870 0.085 0.000 1.370 101 L CA -0.388 54.531 54.840 0.131 0.000 1.248 101 L CB -0.341 41.777 42.059 0.099 0.000 1.556 101 L HN 0.267 nan 8.230 nan 0.000 0.420 102 S N -1.448 114.307 115.700 0.092 0.000 2.507 102 S HA -0.158 4.327 4.470 0.024 0.000 0.235 102 S C 1.389 176.020 174.600 0.051 0.000 0.988 102 S CA 0.936 59.166 58.200 0.049 0.000 0.944 102 S CB -0.284 62.941 63.200 0.041 0.000 0.762 102 S HN 0.615 nan 8.310 nan 0.000 0.526 103 H N -0.628 118.447 119.070 0.009 0.000 2.581 103 H HA 0.420 4.991 4.556 0.024 0.000 0.275 103 H C -0.292 175.023 175.328 -0.021 0.000 1.126 103 H CA -0.539 55.508 56.048 -0.001 0.000 1.097 103 H CB 0.228 30.002 29.762 0.019 0.000 1.626 103 H HN 0.123 nan 8.280 nan 0.000 0.565 104 L N 0.552 121.834 121.223 0.098 0.000 2.331 104 L HA 0.135 4.489 4.340 0.024 0.000 0.278 104 L C 0.774 177.631 176.870 -0.021 0.000 1.106 104 L CA 0.583 55.423 54.840 0.001 0.000 0.824 104 L CB 1.492 43.504 42.059 -0.079 0.000 1.142 104 L HN 0.044 nan 8.230 nan 0.000 0.443 105 S N 0.537 116.217 115.700 -0.033 0.000 2.613 105 S HA 0.247 4.731 4.470 0.024 0.000 0.235 105 S C 0.075 174.627 174.600 -0.079 0.000 1.073 105 S CA 0.065 58.240 58.200 -0.042 0.000 0.899 105 S CB 0.565 63.762 63.200 -0.005 0.000 0.818 105 S HN 0.748 nan 8.310 nan 0.000 0.484 106 T N 2.099 116.598 114.554 -0.091 0.000 2.881 106 T HA 0.618 4.982 4.350 0.024 0.000 0.290 106 T C -1.745 172.875 174.700 -0.134 0.000 1.000 106 T CA -0.326 61.714 62.100 -0.100 0.000 0.978 106 T CB 2.023 70.848 68.868 -0.071 0.000 0.997 106 T HN 0.046 nan 8.240 nan 0.000 0.443 107 L N 4.600 125.732 121.223 -0.153 0.000 2.406 107 L HA 0.626 4.980 4.340 0.024 0.000 0.270 107 L C -1.289 175.518 176.870 -0.104 0.000 0.982 107 L CA -0.592 54.141 54.840 -0.178 0.000 0.843 107 L CB 0.828 42.710 42.059 -0.296 0.000 1.225 107 L HN 0.660 nan 8.230 nan 0.000 0.412 108 I N 6.537 127.070 120.570 -0.061 0.000 2.297 108 I HA 0.204 4.388 4.170 0.024 0.000 0.291 108 I C 0.599 176.727 176.117 0.018 0.000 1.033 108 I CA -0.135 61.155 61.300 -0.017 0.000 1.253 108 I CB 1.183 39.176 38.000 -0.012 0.000 1.396 108 I HN 0.663 nan 8.210 nan 0.000 0.476 109 L N 4.175 125.425 121.223 0.046 0.000 2.664 109 L HA 0.136 4.490 4.340 0.024 0.000 0.233 109 L C 0.781 177.683 176.870 0.053 0.000 1.113 109 L CA 0.116 55.008 54.840 0.086 0.000 0.896 109 L CB 0.180 42.337 42.059 0.164 0.000 1.163 109 L HN 0.581 nan 8.230 nan 0.000 0.497 110 T N 1.579 116.150 114.554 0.029 0.000 2.657 110 T HA 0.008 4.372 4.350 0.024 0.000 0.245 110 T C 1.183 175.872 174.700 -0.017 0.000 1.021 110 T CA 1.312 63.420 62.100 0.012 0.000 1.155 110 T CB -0.021 68.849 68.868 0.003 0.000 1.022 110 T HN 0.670 nan 8.240 nan 0.000 0.477 111 G N 3.407 112.206 108.800 -0.000 0.000 2.225 111 G HA2 -0.237 3.737 3.960 0.024 0.000 0.264 111 G HA3 -0.237 3.737 3.960 0.024 0.000 0.264 111 G C -0.070 174.810 174.900 -0.033 0.000 1.060 111 G CA -0.434 44.653 45.100 -0.021 0.000 0.833 111 G HN 0.773 nan 8.290 nan 0.000 0.498 112 N N 0.498 119.200 118.700 0.003 0.000 2.372 112 N HA 0.445 5.200 4.740 0.024 0.000 0.291 112 N C -2.632 172.895 175.510 0.027 0.000 1.024 112 N CA -1.477 51.581 53.050 0.013 0.000 0.873 112 N CB 2.495 41.007 38.487 0.042 0.000 1.206 112 N HN 0.007 nan 8.380 nan 0.000 0.486 113 P HA 0.239 nan 4.420 nan 0.000 0.225 113 P C -0.056 177.257 177.300 0.022 0.000 1.813 113 P CA -0.154 62.959 63.100 0.022 0.000 1.013 113 P CB -0.472 31.239 31.700 0.020 0.000 1.961 114 I N 1.055 121.645 120.570 0.034 0.000 2.598 114 I HA 0.027 4.211 4.170 0.024 0.000 0.284 114 I C 1.545 177.677 176.117 0.026 0.000 1.140 114 I CA 0.501 61.822 61.300 0.036 0.000 1.420 114 I CB 0.346 38.393 38.000 0.077 0.000 1.387 114 I HN 0.163 nan 8.210 nan 0.000 0.553 115 Q N 3.090 122.893 119.800 0.005 0.000 2.164 115 Q HA 0.222 4.577 4.340 0.024 0.000 0.226 115 Q C -0.206 175.793 176.000 -0.002 0.000 0.813 115 Q CA 0.011 55.816 55.803 0.003 0.000 0.978 115 Q CB 0.924 29.659 28.738 -0.006 0.000 1.149 115 Q HN 0.684 nan 8.270 nan 0.000 0.489 116 S N 0.028 115.722 115.700 -0.011 0.000 2.653 116 S HA 0.505 4.990 4.470 0.024 0.000 0.268 116 S C -2.011 172.576 174.600 -0.021 0.000 1.153 116 S CA -0.568 57.622 58.200 -0.017 0.000 1.036 116 S CB 0.340 63.515 63.200 -0.042 0.000 1.103 116 S HN 0.157 nan 8.310 nan 0.000 0.466 117 L N 4.103 125.327 121.223 0.001 0.000 2.319 117 L HA 0.779 5.133 4.340 0.024 0.000 0.281 117 L C 0.649 177.491 176.870 -0.046 0.000 1.005 117 L CA -0.285 54.538 54.840 -0.029 0.000 0.828 117 L CB 1.337 43.420 42.059 0.040 0.000 1.227 117 L HN 0.712 nan 8.230 nan 0.000 0.415 118 A N 2.851 125.618 122.820 -0.087 0.000 2.386 118 A HA 0.289 4.623 4.320 0.024 0.000 0.246 118 A C 1.404 178.941 177.584 -0.079 0.000 1.089 118 A CA -0.279 51.716 52.037 -0.071 0.000 0.790 118 A CB 0.235 19.188 19.000 -0.077 0.000 1.042 118 A HN 0.754 nan 8.150 nan 0.000 0.497 119 L N 0.933 122.120 121.223 -0.061 0.000 2.079 119 L HA -0.128 4.227 4.340 0.024 0.000 0.210 119 L C 1.932 178.742 176.870 -0.099 0.000 1.081 119 L CA 2.523 57.317 54.840 -0.077 0.000 0.752 119 L CB -1.415 40.606 42.059 -0.064 0.000 0.896 119 L HN 0.886 nan 8.230 nan 0.000 0.433 120 G N -1.956 106.803 108.800 -0.067 0.000 4.098 120 G HA2 0.365 4.340 3.960 0.024 0.000 0.300 120 G HA3 0.365 4.340 3.960 0.024 0.000 0.300 120 G C 1.247 176.120 174.900 -0.045 0.000 1.187 120 G CA 0.453 45.546 45.100 -0.012 0.000 0.964 120 G HN 0.301 nan 8.290 nan 0.000 0.559 121 A N 0.151 122.873 122.820 -0.162 0.000 2.015 121 A HA 0.210 4.544 4.320 0.024 0.000 0.219 121 A C 1.110 178.506 177.584 -0.314 0.000 1.163 121 A CA 0.713 52.552 52.037 -0.330 0.000 0.646 121 A CB -0.240 18.413 19.000 -0.578 0.000 0.806 121 A HN 0.344 nan 8.150 nan 0.000 0.448 122 F N 0.048 120.067 119.950 0.116 0.000 2.850 122 F HA 0.349 4.890 4.527 0.024 0.000 0.306 122 F C 0.932 176.732 175.800 0.000 0.000 1.162 122 F CA -0.754 57.290 58.000 0.074 0.000 1.327 122 F CB -0.133 38.836 39.000 -0.052 0.000 0.953 122 F HN -0.081 nan 8.300 nan 0.000 0.507 123 S N 0.254 116.044 115.700 0.149 0.000 2.516 123 S HA 0.417 4.901 4.470 0.024 0.000 0.282 123 S C 1.150 175.759 174.600 0.015 0.000 1.286 123 S CA 0.942 59.178 58.200 0.060 0.000 1.066 123 S CB 0.368 63.591 63.200 0.039 0.000 0.884 123 S HN 0.866 nan 8.310 nan 0.000 0.491 124 G N 3.472 112.251 108.800 -0.036 0.000 2.194 124 G HA2 -0.189 3.786 3.960 0.024 0.000 0.236 124 G HA3 -0.189 3.786 3.960 0.024 0.000 0.236 124 G C 0.248 175.134 174.900 -0.024 0.000 0.987 124 G CA -0.081 45.011 45.100 -0.015 0.000 0.635 124 G HN 0.653 nan 8.290 nan 0.000 0.520 125 L N 3.003 124.188 121.223 -0.064 0.000 2.727 125 L HA 0.275 4.630 4.340 0.024 0.000 0.237 125 L C 2.112 178.903 176.870 -0.132 0.000 1.370 125 L CA 0.437 55.222 54.840 -0.093 0.000 1.248 125 L CB 0.220 42.206 42.059 -0.122 0.000 1.556 125 L HN 0.396 nan 8.230 nan 0.000 0.420 126 S N -3.120 112.519 115.700 -0.102 0.000 2.595 126 S HA -0.058 4.426 4.470 0.024 0.000 0.235 126 S C 1.530 176.070 174.600 -0.100 0.000 0.974 126 S CA 0.684 58.819 58.200 -0.107 0.000 0.942 126 S CB 0.128 63.282 63.200 -0.078 0.000 0.766 126 S HN 0.465 nan 8.310 nan 0.000 0.536 127 S N 0.225 115.869 115.700 -0.094 0.000 2.524 127 S HA 0.356 4.841 4.470 0.024 0.000 0.222 127 S C 0.196 174.742 174.600 -0.090 0.000 1.040 127 S CA -0.578 57.571 58.200 -0.086 0.000 0.915 127 S CB -0.186 62.972 63.200 -0.070 0.000 0.831 127 S HN 0.437 nan 8.310 nan 0.000 0.492 128 L N 3.307 124.461 121.223 -0.116 0.000 2.737 128 L HA -0.076 4.278 4.340 0.024 0.000 0.279 128 L C 0.943 177.738 176.870 -0.125 0.000 1.200 128 L CA 1.154 55.910 54.840 -0.139 0.000 0.952 128 L CB 0.136 42.074 42.059 -0.203 0.000 1.240 128 L HN 0.242 nan 8.230 nan 0.000 0.486 129 Q N 3.497 123.236 119.800 -0.101 0.000 2.317 129 Q HA 0.172 4.526 4.340 0.024 0.000 0.220 129 Q C 0.060 176.012 176.000 -0.081 0.000 0.873 129 Q CA 0.149 55.902 55.803 -0.083 0.000 0.936 129 Q CB 0.889 29.591 28.738 -0.060 0.000 1.105 129 Q HN 0.528 nan 8.270 nan 0.000 0.520 130 K N 1.059 121.402 120.400 -0.095 0.000 2.535 130 K HA 0.359 4.694 4.320 0.024 0.000 0.251 130 K C -2.177 174.356 176.600 -0.111 0.000 0.942 130 K CA -0.669 55.570 56.287 -0.080 0.000 0.798 130 K CB 1.934 34.400 32.500 -0.057 0.000 1.267 130 K HN -0.033 nan 8.250 nan 0.000 0.434 131 L N 4.605 125.769 121.223 -0.099 0.000 2.406 131 L HA 0.445 4.799 4.340 0.024 0.000 0.272 131 L C -1.703 175.147 176.870 -0.034 0.000 0.980 131 L CA -0.565 54.204 54.840 -0.118 0.000 0.831 131 L CB 1.854 43.785 42.059 -0.212 0.000 1.253 131 L HN 0.310 nan 8.230 nan 0.000 0.406 132 V N 4.935 124.837 119.914 -0.020 0.000 2.357 132 V HA 0.772 4.906 4.120 0.024 0.000 0.284 132 V C 0.510 176.630 176.094 0.043 0.000 1.018 132 V CA 0.047 62.357 62.300 0.017 0.000 0.841 132 V CB 1.098 32.926 31.823 0.008 0.000 0.991 132 V HN 0.916 nan 8.190 nan 0.000 0.437 133 A N 4.814 127.671 122.820 0.061 0.000 3.129 133 A HA 0.580 4.915 4.320 0.024 0.000 0.282 133 A C -0.196 177.411 177.584 0.039 0.000 0.948 133 A CA -0.288 51.795 52.037 0.078 0.000 1.027 133 A CB 0.345 19.428 19.000 0.138 0.000 1.123 133 A HN 0.559 nan 8.150 nan 0.000 0.485 134 V N 1.301 121.241 119.914 0.044 0.000 2.655 134 V HA 0.094 4.228 4.120 0.024 0.000 0.300 134 V C 1.174 177.305 176.094 0.062 0.000 1.044 134 V CA 0.457 62.790 62.300 0.055 0.000 1.095 134 V CB 0.562 32.416 31.823 0.052 0.000 0.952 134 V HN 0.913 nan 8.190 nan 0.000 0.485 135 E N 2.787 123.038 120.200 0.085 0.000 2.240 135 E HA -0.221 4.144 4.350 0.024 0.000 0.194 135 E C 0.394 177.021 176.600 0.046 0.000 1.385 135 E CA 0.669 57.123 56.400 0.090 0.000 0.686 135 E CB -0.579 29.215 29.700 0.156 0.000 1.125 135 E HN 1.061 nan 8.360 nan 0.000 0.359 136 T N -0.919 113.649 114.554 0.023 0.000 3.355 136 T HA 0.255 4.619 4.350 0.024 0.000 0.276 136 T C 0.344 175.051 174.700 0.012 0.000 1.003 136 T CA -0.017 62.101 62.100 0.030 0.000 0.943 136 T CB 0.004 68.905 68.868 0.056 0.000 1.158 136 T HN 0.290 nan 8.240 nan 0.000 0.513 137 N N 0.581 119.280 118.700 -0.002 0.000 2.666 137 N HA -0.155 4.599 4.740 0.024 0.000 0.248 137 N C -0.292 175.205 175.510 -0.022 0.000 1.118 137 N CA 0.331 53.374 53.050 -0.012 0.000 0.722 137 N CB -1.505 36.983 38.487 0.002 0.000 1.050 137 N HN 0.594 nan 8.380 nan 0.000 0.550 138 L N -0.277 120.915 121.223 -0.051 0.000 2.477 138 L HA 0.336 4.691 4.340 0.024 0.000 0.272 138 L C 1.194 178.025 176.870 -0.066 0.000 1.157 138 L CA 0.474 55.261 54.840 -0.088 0.000 0.889 138 L CB 0.597 42.530 42.059 -0.211 0.000 1.158 138 L HN 0.227 nan 8.230 nan 0.000 0.473 139 A N 3.142 125.941 122.820 -0.035 0.000 2.169 139 A HA 0.418 4.752 4.320 0.024 0.000 0.210 139 A C 0.785 178.364 177.584 -0.008 0.000 1.168 139 A CA 0.724 52.751 52.037 -0.017 0.000 0.813 139 A CB 0.041 19.041 19.000 0.000 0.000 0.861 139 A HN 0.688 nan 8.150 nan 0.000 0.481 140 S N -2.086 113.610 115.700 -0.006 0.000 2.586 140 S HA 0.419 4.904 4.470 0.024 0.000 0.277 140 S C -0.090 174.539 174.600 0.049 0.000 1.131 140 S CA -0.600 57.610 58.200 0.017 0.000 0.848 140 S CB 0.197 63.419 63.200 0.036 0.000 1.091 140 S HN 0.164 nan 8.310 nan 0.000 0.453 141 L N 2.604 123.875 121.223 0.080 0.000 2.418 141 L HA 0.118 4.473 4.340 0.024 0.000 0.218 141 L C 2.109 179.190 176.870 0.352 0.000 1.125 141 L CA 0.415 55.394 54.840 0.232 0.000 0.835 141 L CB -0.287 41.893 42.059 0.201 0.000 0.953 141 L HN 0.667 nan 8.230 nan 0.000 0.454 142 E N 1.026 121.341 120.200 0.192 0.000 2.058 142 E HA -0.202 4.163 4.350 0.024 0.000 0.194 142 E C 1.214 177.996 176.600 0.304 0.000 0.997 142 E CA 1.422 57.934 56.400 0.186 0.000 0.801 142 E CB -0.294 29.457 29.700 0.085 0.000 0.746 142 E HN 0.556 nan 8.360 nan 0.000 0.450 143 N N -0.342 118.515 118.700 0.261 0.000 2.280 143 N HA 0.009 4.763 4.740 0.024 0.000 0.192 143 N C -0.302 175.390 175.510 0.304 0.000 1.109 143 N CA -0.137 53.050 53.050 0.229 0.000 0.855 143 N CB 0.031 38.610 38.487 0.155 0.000 0.974 143 N HN -0.037 nan 8.380 nan 0.000 0.482 144 F N 3.862 123.929 119.950 0.195 0.000 2.462 144 F HA 0.242 4.783 4.527 0.024 0.000 0.360 144 F C -1.927 173.895 175.800 0.037 0.000 1.134 144 F CA -3.308 54.792 58.000 0.166 0.000 1.148 144 F CB 0.552 39.691 39.000 0.231 0.000 1.147 144 F HN 0.018 nan 8.300 nan 0.000 0.550 145 P HA 0.082 nan 4.420 nan 0.000 0.241 145 P C 0.368 177.472 177.300 -0.326 0.000 1.760 145 P CA 0.520 63.469 63.100 -0.250 0.000 1.081 145 P CB -0.625 31.000 31.700 -0.125 0.000 1.975 146 I N -3.341 116.868 120.570 -0.601 0.000 4.338 146 I HA 0.376 4.561 4.170 0.024 0.000 0.329 146 I C 1.672 177.541 176.117 -0.414 0.000 1.378 146 I CA -0.210 60.808 61.300 -0.469 0.000 1.170 146 I CB 0.023 37.644 38.000 -0.632 0.000 1.206 146 I HN -0.053 nan 8.210 nan 0.000 0.432 147 G N 1.992 110.364 108.800 -0.713 0.000 2.501 147 G HA2 -0.254 3.720 3.960 0.024 0.000 0.220 147 G HA3 -0.254 3.720 3.960 0.024 0.000 0.220 147 G C 1.299 176.165 174.900 -0.057 0.000 1.114 147 G CA 1.406 46.249 45.100 -0.427 0.000 0.757 147 G HN 0.870 nan 8.290 nan 0.000 0.559 148 H N -1.752 117.203 119.070 -0.191 0.000 2.551 148 H HA 0.419 4.990 4.556 0.024 0.000 0.271 148 H C 0.675 175.934 175.328 -0.114 0.000 0.984 148 H CA -0.638 55.343 56.048 -0.113 0.000 1.164 148 H CB 0.038 29.749 29.762 -0.084 0.000 1.437 148 H HN 0.168 nan 8.280 nan 0.000 0.550 149 L N 2.369 123.553 121.223 -0.064 0.000 2.466 149 L HA 0.181 4.535 4.340 0.024 0.000 0.248 149 L C 1.057 177.850 176.870 -0.129 0.000 1.240 149 L CA -0.275 54.457 54.840 -0.180 0.000 1.180 149 L CB 0.487 42.405 42.059 -0.235 0.000 1.413 149 L HN 0.249 nan 8.230 nan 0.000 0.406 150 K N 0.317 120.661 120.400 -0.094 0.000 2.103 150 K HA -0.155 4.180 4.320 0.024 0.000 0.207 150 K C 1.979 178.534 176.600 -0.075 0.000 1.048 150 K CA 1.926 58.172 56.287 -0.068 0.000 0.930 150 K CB -0.033 32.439 32.500 -0.047 0.000 0.716 150 K HN 0.627 nan 8.250 nan 0.000 0.444 151 T N -0.331 114.170 114.554 -0.088 0.000 3.113 151 T HA -0.038 4.326 4.350 0.024 0.000 0.263 151 T C 0.785 175.432 174.700 -0.088 0.000 1.143 151 T CA -0.123 61.928 62.100 -0.082 0.000 1.090 151 T CB -0.207 68.609 68.868 -0.085 0.000 0.922 151 T HN -0.046 nan 8.240 nan 0.000 0.521 152 L N 1.984 123.142 121.223 -0.109 0.000 2.660 152 L HA 0.143 4.497 4.340 0.024 0.000 0.272 152 L C 1.121 177.942 176.870 -0.081 0.000 1.194 152 L CA 0.619 55.391 54.840 -0.113 0.000 0.945 152 L CB 0.220 42.190 42.059 -0.149 0.000 1.212 152 L HN 0.102 nan 8.230 nan 0.000 0.490 153 K N 2.888 123.250 120.400 -0.062 0.000 2.313 153 K HA 0.178 4.513 4.320 0.024 0.000 0.197 153 K C 0.045 176.643 176.600 -0.003 0.000 1.061 153 K CA 0.258 56.525 56.287 -0.034 0.000 0.980 153 K CB 0.529 33.009 32.500 -0.033 0.000 0.888 153 K HN 0.600 nan 8.250 nan 0.000 0.502 154 E N 1.238 121.433 120.200 -0.009 0.000 2.246 154 E HA 0.261 4.626 4.350 0.024 0.000 0.266 154 E C -1.965 174.645 176.600 0.016 0.000 0.880 154 E CA -0.621 55.801 56.400 0.038 0.000 0.762 154 E CB 1.601 31.327 29.700 0.043 0.000 1.180 154 E HN -0.128 nan 8.360 nan 0.000 0.416 155 L N 4.717 125.968 121.223 0.047 0.000 2.376 155 L HA 0.430 4.784 4.340 0.024 0.000 0.275 155 L C -1.355 175.561 176.870 0.078 0.000 0.987 155 L CA -0.297 54.572 54.840 0.048 0.000 0.828 155 L CB 1.482 43.570 42.059 0.049 0.000 1.249 155 L HN 0.517 nan 8.230 nan 0.000 0.409 156 N N 3.908 122.651 118.700 0.072 0.000 2.501 156 N HA 0.426 5.181 4.740 0.024 0.000 0.245 156 N C -0.239 175.303 175.510 0.053 0.000 0.974 156 N CA -0.406 52.688 53.050 0.072 0.000 0.941 156 N CB 1.118 39.648 38.487 0.071 0.000 1.122 156 N HN 0.555 nan 8.380 nan 0.000 0.507 157 V N 1.656 121.596 119.914 0.043 0.000 2.887 157 V HA 0.524 4.659 4.120 0.024 0.000 0.370 157 V C 0.681 176.788 176.094 0.021 0.000 1.322 157 V CA -0.728 61.574 62.300 0.004 0.000 1.267 157 V CB -0.300 31.494 31.823 -0.049 0.000 1.344 157 V HN 0.552 nan 8.190 nan 0.000 0.573 158 A N 0.129 122.980 122.820 0.051 0.000 2.483 158 A HA 0.481 4.815 4.320 0.024 0.000 0.238 158 A C 0.742 178.405 177.584 0.131 0.000 1.070 158 A CA 0.578 52.662 52.037 0.078 0.000 0.770 158 A CB -0.546 18.502 19.000 0.079 0.000 1.008 158 A HN 1.423 nan 8.150 nan 0.000 0.497 159 H N -0.060 119.008 119.070 -0.003 0.000 2.819 159 H HA -0.124 4.447 4.556 0.025 0.000 0.315 159 H C 0.109 175.431 175.328 -0.010 0.000 1.242 159 H CA 1.084 57.129 56.048 -0.005 0.000 1.157 159 H CB -1.517 28.246 29.762 0.001 0.000 1.451 159 H HN 0.783 nan 8.280 nan 0.000 0.430 160 N N -0.298 118.355 118.700 -0.079 0.000 3.061 160 N HA 0.429 5.184 4.740 0.024 0.000 0.346 160 N C 1.039 176.478 175.510 -0.119 0.000 1.392 160 N CA -0.245 52.745 53.050 -0.099 0.000 0.762 160 N CB 0.508 38.952 38.487 -0.072 0.000 1.367 160 N HN 0.223 nan 8.380 nan 0.000 0.607 161 L N 0.938 122.112 121.223 -0.082 0.000 2.818 161 L HA 0.451 4.805 4.340 0.024 0.000 0.243 161 L C 0.192 177.041 176.870 -0.036 0.000 1.185 161 L CA -0.061 54.741 54.840 -0.064 0.000 0.988 161 L CB -0.140 41.889 42.059 -0.049 0.000 1.292 161 L HN 0.241 nan 8.230 nan 0.000 0.519 162 I N 1.747 122.298 120.570 -0.033 0.000 2.662 162 I HA -0.112 4.073 4.170 0.024 0.000 0.285 162 I C 1.269 177.392 176.117 0.010 0.000 1.161 162 I CA 0.630 61.925 61.300 -0.010 0.000 1.415 162 I CB 0.734 38.730 38.000 -0.006 0.000 1.385 162 I HN 0.434 nan 8.210 nan 0.000 0.552 163 Q N 3.415 123.229 119.800 0.025 0.000 2.247 163 Q HA 0.209 4.564 4.340 0.024 0.000 0.211 163 Q C 0.427 176.475 176.000 0.080 0.000 0.861 163 Q CA -0.199 55.631 55.803 0.045 0.000 0.949 163 Q CB 0.753 29.515 28.738 0.039 0.000 1.115 163 Q HN 0.552 nan 8.270 nan 0.000 0.507 164 S N 0.042 115.790 115.700 0.080 0.000 2.454 164 S HA 0.359 4.843 4.470 0.024 0.000 0.306 164 S C -0.528 174.151 174.600 0.132 0.000 1.100 164 S CA -0.829 57.438 58.200 0.112 0.000 1.087 164 S CB 0.717 63.956 63.200 0.066 0.000 1.019 164 S HN 0.430 nan 8.310 nan 0.000 0.480 165 F N 4.032 123.985 119.950 0.006 0.000 2.789 165 F HA 0.361 4.902 4.527 0.024 0.000 0.300 165 F C 1.122 176.874 175.800 -0.081 0.000 1.132 165 F CA -0.222 57.756 58.000 -0.035 0.000 1.404 165 F CB 0.111 39.098 39.000 -0.022 0.000 1.114 165 F HN 0.515 nan 8.300 nan 0.000 0.584 166 K N 2.148 122.480 120.400 -0.113 0.000 2.472 166 K HA 0.055 4.390 4.320 0.024 0.000 0.280 166 K C -0.859 175.485 176.600 -0.428 0.000 1.028 166 K CA -0.217 55.927 56.287 -0.239 0.000 1.045 166 K CB 0.333 32.766 32.500 -0.113 0.000 0.902 166 K HN 0.116 nan 8.250 nan 0.000 0.478 167 L N 8.363 129.235 121.223 -0.585 0.000 2.281 167 L HA 0.287 4.641 4.340 0.024 0.000 0.285 167 L C -2.106 174.367 176.870 -0.662 0.000 1.074 167 L CA -1.834 52.503 54.840 -0.839 0.000 0.817 167 L CB 1.048 42.547 42.059 -0.933 0.000 1.168 167 L HN 0.640 nan 8.230 nan 0.000 0.434 168 P HA -0.012 nan 4.420 nan 0.000 0.267 168 P C 0.340 177.403 177.300 -0.395 0.000 1.200 168 P CA -0.105 62.701 63.100 -0.490 0.000 0.772 168 P CB 0.699 31.998 31.700 -0.668 0.000 0.855 169 E N 1.873 121.948 120.200 -0.209 0.000 2.265 169 E HA -0.208 4.157 4.350 0.024 0.000 0.196 169 E C 1.420 178.040 176.600 0.034 0.000 0.996 169 E CA 1.402 57.760 56.400 -0.069 0.000 0.832 169 E CB -0.780 28.911 29.700 -0.016 0.000 0.756 169 E HN 0.569 nan 8.360 nan 0.000 0.491 170 Y N -2.134 118.256 120.300 0.149 0.000 2.421 170 Y HA -0.022 4.543 4.550 0.024 0.000 0.292 170 Y C 1.563 177.553 175.900 0.151 0.000 1.136 170 Y CA 0.364 58.539 58.100 0.126 0.000 1.255 170 Y CB -1.125 37.387 38.460 0.087 0.000 0.991 170 Y HN -0.088 nan 8.280 nan 0.000 0.552 171 F N 1.945 121.862 119.950 -0.055 0.000 2.346 171 F HA -0.238 4.303 4.527 0.024 0.000 0.301 171 F C 2.641 178.459 175.800 0.031 0.000 1.070 171 F CA 1.475 59.481 58.000 0.010 0.000 1.407 171 F CB -0.712 38.208 39.000 -0.132 0.000 1.072 171 F HN 0.345 nan 8.300 nan 0.000 0.543 172 S N -0.797 115.015 115.700 0.187 0.000 2.453 172 S HA -0.131 4.353 4.470 0.024 0.000 0.231 172 S C 1.682 176.334 174.600 0.087 0.000 1.005 172 S CA 1.044 59.311 58.200 0.112 0.000 0.949 172 S CB -0.424 62.824 63.200 0.079 0.000 0.774 172 S HN 0.361 nan 8.310 nan 0.000 0.510 173 N N 1.304 120.065 118.700 0.103 0.000 2.463 173 N HA 0.190 4.945 4.740 0.024 0.000 0.181 173 N C 0.153 175.680 175.510 0.028 0.000 1.078 173 N CA 0.341 53.431 53.050 0.066 0.000 0.902 173 N CB -0.142 38.392 38.487 0.078 0.000 0.970 173 N HN 0.457 nan 8.380 nan 0.000 0.451 174 L N 2.053 123.286 121.223 0.017 0.000 2.536 174 L HA 0.136 4.490 4.340 0.024 0.000 0.242 174 L C 1.449 178.302 176.870 -0.029 0.000 1.280 174 L CA -0.148 54.661 54.840 -0.051 0.000 1.221 174 L CB -0.225 41.727 42.059 -0.177 0.000 1.449 174 L HN 0.105 nan 8.230 nan 0.000 0.405 175 T N -3.822 110.724 114.554 -0.014 0.000 2.904 175 T HA -0.067 4.297 4.350 0.024 0.000 0.267 175 T C 1.360 176.053 174.700 -0.012 0.000 1.059 175 T CA 0.621 62.719 62.100 -0.003 0.000 1.137 175 T CB -0.004 68.863 68.868 -0.002 0.000 0.879 175 T HN 0.363 nan 8.240 nan 0.000 0.467 176 N N 1.083 119.767 118.700 -0.027 0.000 2.336 176 N HA 0.176 4.931 4.740 0.024 0.000 0.189 176 N C 0.207 175.701 175.510 -0.028 0.000 1.113 176 N CA -0.142 52.890 53.050 -0.030 0.000 0.858 176 N CB -0.035 38.429 38.487 -0.039 0.000 0.970 176 N HN 0.356 nan 8.380 nan 0.000 0.471 177 L N 1.931 123.136 121.223 -0.030 0.000 2.584 177 L HA -0.037 4.318 4.340 0.024 0.000 0.272 177 L C 0.939 177.821 176.870 0.020 0.000 1.195 177 L CA 0.856 55.684 54.840 -0.020 0.000 0.920 177 L CB 0.326 42.356 42.059 -0.049 0.000 1.173 177 L HN 0.053 nan 8.230 nan 0.000 0.489 178 E N 2.244 122.468 120.200 0.041 0.000 2.485 178 E HA 0.109 4.474 4.350 0.024 0.000 0.213 178 E C -0.682 176.015 176.600 0.162 0.000 0.923 178 E CA -0.065 56.376 56.400 0.067 0.000 1.054 178 E CB 0.553 30.265 29.700 0.021 0.000 1.077 178 E HN 0.660 nan 8.360 nan 0.000 0.509 179 H N 0.160 119.250 119.070 0.033 0.000 3.018 179 H HA 0.379 4.949 4.556 0.024 0.000 0.334 179 H C -1.897 173.474 175.328 0.071 0.000 0.983 179 H CA -0.796 55.285 56.048 0.055 0.000 1.363 179 H CB 1.063 30.848 29.762 0.038 0.000 1.668 179 H HN -0.076 nan 8.280 nan 0.000 0.513 180 L N 4.494 125.595 121.223 -0.205 0.000 2.319 180 L HA 0.370 4.724 4.340 0.024 0.000 0.281 180 L C -0.933 175.824 176.870 -0.188 0.000 1.005 180 L CA -0.437 54.356 54.840 -0.078 0.000 0.828 180 L CB 1.231 43.340 42.059 0.083 0.000 1.227 180 L HN 0.634 nan 8.230 nan 0.000 0.415 181 D N 4.888 125.243 120.400 -0.075 0.000 2.396 181 D HA 0.253 4.907 4.640 0.024 0.000 0.225 181 D C 0.258 176.577 176.300 0.031 0.000 1.121 181 D CA 0.085 54.071 54.000 -0.024 0.000 0.853 181 D CB 1.003 41.841 40.800 0.063 0.000 1.043 181 D HN 0.628 nan 8.370 nan 0.000 0.500 182 L N 2.462 123.708 121.223 0.037 0.000 2.857 182 L HA 0.095 4.449 4.340 0.024 0.000 0.249 182 L C 0.937 177.833 176.870 0.042 0.000 1.172 182 L CA -0.213 54.662 54.840 0.058 0.000 0.980 182 L CB 0.252 42.375 42.059 0.106 0.000 1.299 182 L HN 0.279 nan 8.230 nan 0.000 0.535 183 S N -1.364 114.357 115.700 0.035 0.000 2.576 183 S HA 0.061 4.546 4.470 0.024 0.000 0.272 183 S C 0.975 175.603 174.600 0.047 0.000 1.352 183 S CA -0.017 58.198 58.200 0.026 0.000 1.021 183 S CB 1.113 64.330 63.200 0.029 0.000 0.887 183 S HN 0.262 nan 8.310 nan 0.000 0.542 184 S N 1.369 117.094 115.700 0.041 0.000 3.641 184 S HA -0.142 4.343 4.470 0.024 0.000 0.346 184 S C 0.291 174.910 174.600 0.031 0.000 1.074 184 S CA 0.817 59.069 58.200 0.088 0.000 1.026 184 S CB -2.032 61.313 63.200 0.241 0.000 0.908 184 S HN 0.819 nan 8.310 nan 0.000 0.479 185 N N 0.508 119.206 118.700 -0.003 0.000 3.084 185 N HA 0.377 5.131 4.740 0.024 0.000 0.336 185 N C 0.556 176.047 175.510 -0.030 0.000 1.391 185 N CA -0.658 52.375 53.050 -0.030 0.000 0.712 185 N CB 0.421 38.904 38.487 -0.006 0.000 1.248 185 N HN 0.144 nan 8.380 nan 0.000 0.545 186 K N 0.849 121.239 120.400 -0.017 0.000 2.564 186 K HA 0.373 4.707 4.320 0.024 0.000 0.205 186 K C -0.562 176.043 176.600 0.009 0.000 1.053 186 K CA -0.171 56.110 56.287 -0.011 0.000 1.072 186 K CB 0.542 33.033 32.500 -0.014 0.000 0.822 186 K HN 0.345 nan 8.250 nan 0.000 0.497 187 I N 2.734 123.311 120.570 0.012 0.000 2.494 187 I HA -0.023 4.161 4.170 0.024 0.000 0.289 187 I C 1.007 177.124 176.117 0.000 0.000 1.106 187 I CA 0.731 62.044 61.300 0.022 0.000 1.369 187 I CB 0.460 38.476 38.000 0.028 0.000 1.410 187 I HN 0.284 nan 8.210 nan 0.000 0.523 188 Q N 3.176 122.984 119.800 0.014 0.000 2.378 188 Q HA 0.224 4.579 4.340 0.024 0.000 0.229 188 Q C 0.111 176.113 176.000 0.002 0.000 0.882 188 Q CA 0.161 55.974 55.803 0.016 0.000 0.936 188 Q CB 0.670 29.427 28.738 0.032 0.000 1.092 188 Q HN 0.599 nan 8.270 nan 0.000 0.535 189 S N 0.413 116.081 115.700 -0.053 0.000 2.548 189 S HA 0.552 5.036 4.470 0.024 0.000 0.276 189 S C -1.084 173.314 174.600 -0.336 0.000 1.129 189 S CA -0.627 57.449 58.200 -0.208 0.000 0.931 189 S CB 1.608 64.599 63.200 -0.349 0.000 1.068 189 S HN 0.132 nan 8.310 nan 0.000 0.480 190 I N 3.157 123.508 120.570 -0.365 0.000 2.389 190 I HA 0.421 4.605 4.170 0.024 0.000 0.288 190 I C -1.294 174.647 176.117 -0.294 0.000 0.999 190 I CA -0.599 60.563 61.300 -0.231 0.000 1.129 190 I CB 1.135 39.031 38.000 -0.174 0.000 1.288 190 I HN 0.602 nan 8.210 nan 0.000 0.444 191 Y N 3.747 124.124 120.300 0.130 0.000 2.419 191 Y HA 0.213 4.778 4.550 0.024 0.000 0.328 191 Y C 1.390 177.315 175.900 0.042 0.000 1.162 191 Y CA -0.642 57.515 58.100 0.096 0.000 1.174 191 Y CB 1.108 39.618 38.460 0.083 0.000 1.228 191 Y HN 0.579 nan 8.280 nan 0.000 0.473 192 C N 0.082 119.496 119.300 0.190 0.000 2.396 192 C HA -0.228 4.246 4.460 0.024 0.000 0.277 192 C C 2.440 177.447 174.990 0.028 0.000 1.231 192 C CA 2.151 61.211 59.018 0.070 0.000 1.775 192 C CB -1.404 26.373 27.740 0.063 0.000 2.036 192 C HN 1.032 nan 8.230 nan 0.000 0.484 193 T N -2.154 112.438 114.554 0.063 0.000 3.148 193 T HA -0.043 4.321 4.350 0.024 0.000 0.253 193 T C 0.987 175.675 174.700 -0.021 0.000 1.134 193 T CA 0.994 63.094 62.100 -0.000 0.000 1.051 193 T CB -0.326 68.535 68.868 -0.012 0.000 0.959 193 T HN 0.422 nan 8.240 nan 0.000 0.525 194 D N 2.169 122.586 120.400 0.028 0.000 2.144 194 D HA -0.013 4.641 4.640 0.024 0.000 0.200 194 D C 1.305 177.477 176.300 -0.214 0.000 0.978 194 D CA 0.924 54.904 54.000 -0.034 0.000 0.833 194 D CB -0.048 40.849 40.800 0.161 0.000 0.961 194 D HN 0.545 nan 8.370 nan 0.000 0.470 195 L N -0.561 120.549 121.223 -0.189 0.000 2.984 195 L HA 0.396 4.751 4.340 0.024 0.000 0.246 195 L C 1.507 178.296 176.870 -0.136 0.000 1.268 195 L CA -0.425 54.274 54.840 -0.234 0.000 1.054 195 L CB -0.302 41.608 42.059 -0.249 0.000 1.393 195 L HN -0.191 nan 8.230 nan 0.000 0.532 196 R N 0.512 120.938 120.500 -0.122 0.000 2.103 196 R HA -0.155 4.200 4.340 0.024 0.000 0.242 196 R C 1.888 178.169 176.300 -0.032 0.000 1.142 196 R CA 1.878 57.929 56.100 -0.081 0.000 0.960 196 R CB -1.459 28.786 30.300 -0.092 0.000 0.858 196 R HN 0.408 nan 8.270 nan 0.000 0.439 197 V N 0.030 119.899 119.914 -0.076 0.000 2.427 197 V HA -0.131 4.003 4.120 0.024 0.000 0.248 197 V C 2.109 178.199 176.094 -0.007 0.000 1.051 197 V CA 1.600 63.873 62.300 -0.046 0.000 1.048 197 V CB -0.553 31.218 31.823 -0.088 0.000 0.666 197 V HN 0.352 nan 8.190 nan 0.000 0.456 198 L N 0.231 121.432 121.223 -0.036 0.000 2.141 198 L HA -0.100 4.254 4.340 0.024 0.000 0.209 198 L C 2.649 179.539 176.870 0.033 0.000 1.094 198 L CA 2.418 57.256 54.840 -0.003 0.000 0.763 198 L CB -1.264 40.769 42.059 -0.044 0.000 0.908 198 L HN 0.573 nan 8.230 nan 0.000 0.437 199 H N -0.253 118.792 119.070 -0.041 0.000 2.389 199 H HA -0.103 4.468 4.556 0.024 0.000 0.299 199 H C 1.620 176.944 175.328 -0.008 0.000 1.081 199 H CA 1.776 57.811 56.048 -0.023 0.000 1.345 199 H CB 0.276 30.017 29.762 -0.035 0.000 1.393 199 H HN 0.559 nan 8.280 nan 0.000 0.520 200 Q N -0.135 119.736 119.800 0.118 0.000 2.444 200 Q HA 0.090 4.445 4.340 0.024 0.000 0.206 200 Q C 0.138 176.152 176.000 0.024 0.000 0.948 200 Q CA 0.150 55.997 55.803 0.074 0.000 0.946 200 Q CB 0.336 29.115 28.738 0.070 0.000 1.027 200 Q HN 0.390 nan 8.270 nan 0.000 0.513 201 M N 1.777 121.381 119.600 0.008 0.000 2.480 201 M HA 0.227 4.722 4.480 0.024 0.000 0.320 201 M C -2.138 174.152 176.300 -0.016 0.000 1.141 201 M CA -1.547 53.757 55.300 0.008 0.000 1.102 201 M CB 1.060 33.678 32.600 0.030 0.000 1.249 201 M HN -0.177 nan 8.290 nan 0.000 0.446 202 P HA 0.146 nan 4.420 nan 0.000 0.249 202 P C 0.260 177.551 177.300 -0.015 0.000 1.583 202 P CA 0.127 63.204 63.100 -0.038 0.000 0.988 202 P CB 0.297 31.965 31.700 -0.053 0.000 1.530 203 L N -1.439 119.781 121.223 -0.005 0.000 2.966 203 L HA 0.342 4.696 4.340 0.024 0.000 0.262 203 L C 0.216 177.088 176.870 0.003 0.000 1.165 203 L CA -0.309 54.531 54.840 -0.001 0.000 0.978 203 L CB -0.016 42.042 42.059 -0.001 0.000 1.337 203 L HN -0.064 nan 8.230 nan 0.000 0.563 204 L N 0.873 122.104 121.223 0.013 0.000 2.397 204 L HA 0.304 4.658 4.340 0.024 0.000 0.271 204 L C 0.014 176.902 176.870 0.029 0.000 1.148 204 L CA 0.360 55.215 54.840 0.024 0.000 0.825 204 L CB 0.643 42.727 42.059 0.042 0.000 1.117 204 L HN 0.180 nan 8.230 nan 0.000 0.456 205 N N 3.880 122.594 118.700 0.023 0.000 2.800 205 N HA 0.341 5.095 4.740 0.024 0.000 0.240 205 N C -1.701 173.845 175.510 0.059 0.000 1.096 205 N CA -0.395 52.670 53.050 0.024 0.000 0.877 205 N CB 0.378 38.833 38.487 -0.053 0.000 1.138 205 N HN 0.486 nan 8.380 nan 0.000 0.509 206 L N 2.105 123.396 121.223 0.113 0.000 2.305 206 L HA 0.618 4.972 4.340 0.024 0.000 0.284 206 L C -0.654 176.325 176.870 0.181 0.000 1.013 206 L CA -0.291 54.629 54.840 0.133 0.000 0.819 206 L CB 1.512 43.643 42.059 0.122 0.000 1.227 206 L HN 0.301 nan 8.230 nan 0.000 0.417 207 S N 5.929 121.753 115.700 0.207 0.000 2.452 207 S HA 0.618 5.102 4.470 0.024 0.000 0.284 207 S C -0.603 174.009 174.600 0.021 0.000 1.171 207 S CA -0.388 57.949 58.200 0.227 0.000 1.064 207 S CB 0.972 64.450 63.200 0.464 0.000 0.967 207 S HN 0.564 nan 8.310 nan 0.000 0.484 208 L N 3.339 124.587 121.223 0.041 0.000 2.346 208 L HA 0.697 5.051 4.340 0.024 0.000 0.276 208 L C -1.080 175.787 176.870 -0.006 0.000 1.006 208 L CA -0.315 54.522 54.840 -0.006 0.000 0.817 208 L CB 1.795 43.929 42.059 0.126 0.000 1.272 208 L HN 0.495 nan 8.230 nan 0.000 0.421 209 D N 3.953 124.325 120.400 -0.046 0.000 2.492 209 D HA 0.355 5.009 4.640 0.024 0.000 0.248 209 D C -0.372 175.926 176.300 -0.004 0.000 1.101 209 D CA -0.081 53.915 54.000 -0.007 0.000 0.840 209 D CB 1.332 42.146 40.800 0.023 0.000 1.209 209 D HN 0.617 nan 8.370 nan 0.000 0.524 210 L N 2.119 123.325 121.223 -0.027 0.000 3.014 210 L HA 0.252 4.607 4.340 0.024 0.000 0.263 210 L C 0.408 177.221 176.870 -0.094 0.000 1.207 210 L CA -0.298 54.513 54.840 -0.049 0.000 1.017 210 L CB 0.398 42.407 42.059 -0.084 0.000 1.360 210 L HN 0.244 nan 8.230 nan 0.000 0.560 211 S N 0.803 116.453 115.700 -0.084 0.000 2.599 211 S HA -0.008 4.476 4.470 0.024 0.000 0.303 211 S C 1.127 175.664 174.600 -0.105 0.000 1.267 211 S CA 0.207 58.338 58.200 -0.114 0.000 1.055 211 S CB 0.291 63.457 63.200 -0.056 0.000 0.790 211 S HN 0.422 nan 8.310 nan 0.000 0.500 212 L N 0.753 121.882 121.223 -0.157 0.000 4.496 212 L HA -0.232 4.123 4.340 0.024 0.000 0.419 212 L C 0.081 176.897 176.870 -0.089 0.000 1.139 212 L CA 0.129 54.902 54.840 -0.112 0.000 0.975 212 L CB -1.119 40.916 42.059 -0.041 0.000 2.099 212 L HN 0.640 nan 8.230 nan 0.000 0.818 213 N N 1.720 120.350 118.700 -0.117 0.000 2.499 213 N HA 0.257 5.012 4.740 0.024 0.000 0.281 213 N C -2.046 173.405 175.510 -0.098 0.000 1.098 213 N CA -1.131 51.868 53.050 -0.085 0.000 0.979 213 N CB 1.013 39.454 38.487 -0.077 0.000 1.121 213 N HN -0.021 nan 8.380 nan 0.000 0.466 214 P HA 0.064 nan 4.420 nan 0.000 0.244 214 P C -0.395 176.903 177.300 -0.003 0.000 1.723 214 P CA 0.279 63.359 63.100 -0.034 0.000 1.110 214 P CB -0.226 31.466 31.700 -0.014 0.000 1.972 215 M N 2.700 122.299 119.600 -0.000 0.000 2.108 215 M HA 0.169 4.663 4.480 0.024 0.000 0.354 215 M C 1.174 177.586 176.300 0.186 0.000 1.229 215 M CA 0.069 55.416 55.300 0.080 0.000 1.081 215 M CB 0.906 33.560 32.600 0.090 0.000 1.606 215 M HN 0.165 nan 8.290 nan 0.000 0.467 216 N N 1.381 120.160 118.700 0.132 0.000 2.257 216 N HA 0.158 4.913 4.740 0.024 0.000 0.200 216 N C -0.523 175.094 175.510 0.179 0.000 1.163 216 N CA -0.203 52.929 53.050 0.136 0.000 0.891 216 N CB 0.799 39.345 38.487 0.099 0.000 1.067 216 N HN 0.427 nan 8.380 nan 0.000 0.497 217 F N 0.982 120.902 119.950 -0.049 0.000 2.588 217 F HA 0.549 5.090 4.527 0.024 0.000 0.314 217 F C -1.959 173.776 175.800 -0.108 0.000 1.134 217 F CA -1.138 56.813 58.000 -0.081 0.000 0.961 217 F CB 1.572 40.526 39.000 -0.077 0.000 1.239 217 F HN -0.150 nan 8.300 nan 0.000 0.448 218 I N 5.550 125.672 120.570 -0.748 0.000 2.411 218 I HA 0.249 4.433 4.170 0.024 0.000 0.284 218 I C -0.415 175.180 176.117 -0.870 0.000 1.012 218 I CA -0.709 60.232 61.300 -0.598 0.000 1.119 218 I CB 1.746 39.575 38.000 -0.285 0.000 1.261 218 I HN 0.560 nan 8.210 nan 0.000 0.448 219 Q N 7.768 127.183 119.800 -0.641 0.000 2.247 219 Q HA 0.132 4.487 4.340 0.024 0.000 0.288 219 Q C -2.198 173.712 176.000 -0.151 0.000 1.079 219 Q CA -1.327 54.277 55.803 -0.331 0.000 0.932 219 Q CB 0.672 29.474 28.738 0.107 0.000 1.133 219 Q HN 0.266 nan 8.270 nan 0.000 0.377 220 P HA -0.052 nan 4.420 nan 0.000 0.265 220 P C 0.332 177.644 177.300 0.021 0.000 1.187 220 P CA 1.266 64.343 63.100 -0.038 0.000 0.766 220 P CB 0.542 32.236 31.700 -0.011 0.000 0.820 221 G N 2.362 111.188 108.800 0.044 0.000 2.225 221 G HA2 -0.346 3.628 3.960 0.024 0.000 0.254 221 G HA3 -0.346 3.628 3.960 0.024 0.000 0.254 221 G C 1.198 176.136 174.900 0.063 0.000 0.988 221 G CA 0.425 45.558 45.100 0.056 0.000 0.625 221 G HN 0.690 nan 8.290 nan 0.000 0.527 222 A N -0.719 122.144 122.820 0.072 0.000 2.070 222 A HA 0.428 4.762 4.320 0.024 0.000 0.220 222 A C 1.704 179.204 177.584 -0.140 0.000 1.159 222 A CA 1.962 53.990 52.037 -0.014 0.000 0.656 222 A CB -0.352 18.642 19.000 -0.009 0.000 0.800 222 A HN 0.797 nan 8.150 nan 0.000 0.453 223 F N -0.481 119.490 119.950 0.034 0.000 2.682 223 F HA 0.245 4.786 4.527 0.024 0.000 0.308 223 F C 0.647 176.486 175.800 0.064 0.000 1.093 223 F CA -0.345 57.688 58.000 0.055 0.000 1.244 223 F CB 0.413 39.428 39.000 0.025 0.000 1.052 223 F HN -0.087 nan 8.300 nan 0.000 0.573 224 K N 1.494 122.000 120.400 0.177 0.000 2.448 224 K HA -0.021 4.314 4.320 0.024 0.000 0.278 224 K C 0.650 177.350 176.600 0.166 0.000 1.009 224 K CA 0.527 56.898 56.287 0.140 0.000 0.995 224 K CB 0.127 32.685 32.500 0.097 0.000 0.917 224 K HN 0.285 nan 8.250 nan 0.000 0.481 225 E N 0.130 120.416 120.200 0.143 0.000 3.065 225 E HA -0.261 4.103 4.350 0.024 0.000 0.277 225 E C -0.275 176.370 176.600 0.074 0.000 1.008 225 E CA 0.480 56.948 56.400 0.114 0.000 0.864 225 E CB -0.726 29.088 29.700 0.189 0.000 1.439 225 E HN 0.398 nan 8.360 nan 0.000 0.445 226 I N 1.383 122.033 120.570 0.134 0.000 2.437 226 I HA 0.317 4.501 4.170 0.024 0.000 0.298 226 I C 0.723 176.924 176.117 0.140 0.000 0.984 226 I CA -0.130 61.248 61.300 0.130 0.000 1.214 226 I CB 1.278 39.380 38.000 0.170 0.000 1.365 226 I HN 0.040 nan 8.210 nan 0.000 0.469 227 R N 6.414 126.981 120.500 0.111 0.000 2.621 227 R HA 0.839 5.193 4.340 0.024 0.000 0.284 227 R C -1.858 174.522 176.300 0.134 0.000 0.998 227 R CA -0.902 55.269 56.100 0.118 0.000 0.895 227 R CB 1.896 32.246 30.300 0.084 0.000 1.195 227 R HN 0.424 nan 8.270 nan 0.000 0.450 228 L N 1.309 122.623 121.223 0.151 0.000 2.354 228 L HA 0.393 4.748 4.340 0.024 0.000 0.264 228 L C 0.885 177.861 176.870 0.178 0.000 1.008 228 L CA -1.152 53.787 54.840 0.165 0.000 0.819 228 L CB 1.873 44.036 42.059 0.174 0.000 1.339 228 L HN 0.755 nan 8.230 nan 0.000 0.420 229 H N 1.191 120.322 119.070 0.101 0.000 2.363 229 H HA 0.109 4.679 4.556 0.024 0.000 0.301 229 H C 0.120 175.537 175.328 0.148 0.000 1.074 229 H CA 1.554 57.663 56.048 0.103 0.000 1.354 229 H CB 0.480 30.269 29.762 0.046 0.000 1.397 229 H HN 0.453 nan 8.280 nan 0.000 0.516 230 K N -0.049 120.391 120.400 0.066 0.000 2.525 230 K HA 0.361 4.695 4.320 0.024 0.000 0.254 230 K C -2.178 174.458 176.600 0.061 0.000 0.934 230 K CA -1.058 55.236 56.287 0.011 0.000 0.802 230 K CB 1.575 34.100 32.500 0.042 0.000 1.295 230 K HN 0.125 nan 8.250 nan 0.000 0.433 231 L N 2.899 124.139 121.223 0.028 0.000 2.343 231 L HA 0.487 4.841 4.340 0.024 0.000 0.278 231 L C -1.319 175.553 176.870 0.004 0.000 0.996 231 L CA 0.102 54.957 54.840 0.024 0.000 0.831 231 L CB 1.873 43.935 42.059 0.005 0.000 1.232 231 L HN 0.621 nan 8.230 nan 0.000 0.413 232 T N 6.431 120.988 114.554 0.005 0.000 2.758 232 T HA 0.627 4.992 4.350 0.024 0.000 0.285 232 T C -0.300 174.371 174.700 -0.047 0.000 0.981 232 T CA -0.221 61.871 62.100 -0.013 0.000 0.965 232 T CB 0.779 69.652 68.868 0.009 0.000 0.927 232 T HN 0.428 nan 8.240 nan 0.000 0.448 233 L N 4.449 125.631 121.223 -0.068 0.000 2.442 233 L HA 0.510 4.865 4.340 0.024 0.000 0.261 233 L C -0.056 176.686 176.870 -0.213 0.000 1.000 233 L CA -0.681 54.075 54.840 -0.139 0.000 0.882 233 L CB 0.994 43.014 42.059 -0.064 0.000 1.207 233 L HN 0.409 nan 8.230 nan 0.000 0.443 234 R N 2.315 122.647 120.500 -0.281 0.000 2.534 234 R HA 0.412 4.767 4.340 0.024 0.000 0.301 234 R C -0.154 175.865 176.300 -0.469 0.000 0.961 234 R CA -0.858 54.985 56.100 -0.428 0.000 0.871 234 R CB 1.500 31.581 30.300 -0.365 0.000 1.170 234 R HN 0.535 nan 8.270 nan 0.000 0.446 235 N N 1.640 119.993 118.700 -0.579 0.000 2.740 235 N HA -0.220 4.535 4.740 0.024 0.000 0.248 235 N C -0.119 175.146 175.510 -0.409 0.000 1.062 235 N CA 0.067 52.854 53.050 -0.439 0.000 0.704 235 N CB -0.480 37.825 38.487 -0.303 0.000 0.968 235 N HN 0.679 nan 8.380 nan 0.000 0.547 236 N N -0.404 117.908 118.700 -0.647 0.000 2.414 236 N HA 0.103 4.858 4.740 0.024 0.000 0.177 236 N C -0.189 174.878 175.510 -0.738 0.000 1.062 236 N CA 0.846 53.393 53.050 -0.839 0.000 0.890 236 N CB 0.412 38.057 38.487 -1.404 0.000 1.070 236 N HN 0.186 nan 8.380 nan 0.000 0.454 237 F N 0.345 120.241 119.950 -0.090 0.000 2.532 237 F HA 0.384 4.926 4.527 0.024 0.000 0.321 237 F C 1.035 176.805 175.800 -0.049 0.000 1.089 237 F CA -1.063 56.900 58.000 -0.062 0.000 0.926 237 F CB 1.630 40.597 39.000 -0.055 0.000 1.168 237 F HN -0.288 nan 8.300 nan 0.000 0.459 238 D N 0.284 120.774 120.400 0.150 0.000 2.348 238 D HA -0.010 4.644 4.640 0.024 0.000 0.211 238 D C 0.246 176.593 176.300 0.078 0.000 0.998 238 D CA 0.848 54.895 54.000 0.077 0.000 0.873 238 D CB 0.707 41.539 40.800 0.053 0.000 0.925 238 D HN 0.338 nan 8.370 nan 0.000 0.524 239 S N -0.376 115.381 115.700 0.094 0.000 2.536 239 S HA 0.264 4.748 4.470 0.024 0.000 0.271 239 S C -0.018 174.596 174.600 0.023 0.000 1.134 239 S CA -0.621 57.610 58.200 0.051 0.000 0.897 239 S CB 1.066 64.277 63.200 0.018 0.000 1.094 239 S HN -0.136 nan 8.310 nan 0.000 0.473 240 L N 4.110 125.333 121.223 0.001 0.000 2.711 240 L HA 0.273 4.627 4.340 0.024 0.000 0.242 240 L C 1.582 178.370 176.870 -0.136 0.000 1.153 240 L CA 0.551 55.335 54.840 -0.093 0.000 0.898 240 L CB -0.531 41.452 42.059 -0.126 0.000 1.044 240 L HN 0.588 nan 8.230 nan 0.000 0.437 241 N N -2.068 116.573 118.700 -0.097 0.000 2.332 241 N HA 0.094 4.848 4.740 0.024 0.000 0.190 241 N C 1.626 177.066 175.510 -0.117 0.000 1.117 241 N CA 0.413 53.402 53.050 -0.102 0.000 0.883 241 N CB 0.735 39.184 38.487 -0.064 0.000 1.089 241 N HN 0.142 nan 8.380 nan 0.000 0.480 242 V N 1.792 121.638 119.914 -0.113 0.000 2.788 242 V HA 0.021 4.155 4.120 0.024 0.000 0.251 242 V C 2.396 178.260 176.094 -0.383 0.000 1.068 242 V CA 0.762 62.977 62.300 -0.141 0.000 1.090 242 V CB -0.225 31.582 31.823 -0.027 0.000 0.710 242 V HN 0.248 nan 8.190 nan 0.000 0.467 243 M N 0.127 119.437 119.600 -0.482 0.000 2.086 243 M HA -0.230 4.265 4.480 0.024 0.000 0.261 243 M C 2.296 178.216 176.300 -0.633 0.000 1.067 243 M CA 2.048 56.789 55.300 -0.931 0.000 1.116 243 M CB -0.250 32.092 32.600 -0.430 0.000 1.348 243 M HN 0.213 nan 8.290 nan 0.000 0.407 244 K N -0.688 119.490 120.400 -0.370 0.000 2.032 244 K HA -0.161 4.173 4.320 0.024 0.000 0.209 244 K C 1.659 178.112 176.600 -0.245 0.000 1.048 244 K CA 2.144 58.274 56.287 -0.262 0.000 0.927 244 K CB -0.177 32.208 32.500 -0.193 0.000 0.712 244 K HN 0.368 nan 8.250 nan 0.000 0.441 245 T N 0.251 114.665 114.554 -0.233 0.000 2.788 245 T HA -0.157 4.207 4.350 0.024 0.000 0.268 245 T C 1.936 176.474 174.700 -0.270 0.000 1.044 245 T CA 1.380 63.369 62.100 -0.184 0.000 1.139 245 T CB -0.278 68.534 68.868 -0.093 0.000 0.867 245 T HN 0.372 nan 8.240 nan 0.000 0.454 246 C N 0.580 119.654 119.300 -0.376 0.000 2.457 246 C HA 0.166 4.640 4.460 0.024 0.000 0.278 246 C C 2.607 177.393 174.990 -0.340 0.000 1.309 246 C CA -0.144 58.640 59.018 -0.391 0.000 1.735 246 C CB -1.139 26.298 27.740 -0.504 0.000 1.992 246 C HN 0.552 nan 8.230 nan 0.000 0.493 247 I N 0.910 121.278 120.570 -0.337 0.000 2.226 247 I HA -0.287 3.898 4.170 0.024 0.000 0.245 247 I C 2.564 178.559 176.117 -0.204 0.000 1.100 247 I CA 1.591 62.744 61.300 -0.246 0.000 1.374 247 I CB -0.555 37.321 38.000 -0.205 0.000 1.057 247 I HN 0.445 nan 8.210 nan 0.000 0.413 248 Q N 0.372 120.058 119.800 -0.190 0.000 2.226 248 Q HA -0.131 4.224 4.340 0.024 0.000 0.204 248 Q C 2.200 178.114 176.000 -0.143 0.000 0.975 248 Q CA 1.389 57.106 55.803 -0.144 0.000 0.866 248 Q CB -0.324 28.342 28.738 -0.120 0.000 0.915 248 Q HN 0.641 nan 8.270 nan 0.000 0.440 249 G N -0.349 108.330 108.800 -0.201 0.000 2.712 249 G HA2 -0.076 3.898 3.960 0.024 0.000 0.212 249 G HA3 -0.076 3.898 3.960 0.024 0.000 0.212 249 G C 1.043 175.890 174.900 -0.088 0.000 1.142 249 G CA -0.026 44.974 45.100 -0.167 0.000 0.789 249 G HN 0.141 nan 8.290 nan 0.000 0.535 250 L N 1.200 122.288 121.223 -0.226 0.000 2.552 250 L HA 0.392 4.746 4.340 0.024 0.000 0.227 250 L C 1.982 178.769 176.870 -0.138 0.000 1.146 250 L CA -0.526 54.086 54.840 -0.380 0.000 0.858 250 L CB -0.667 41.135 42.059 -0.428 0.000 0.969 250 L HN 0.176 nan 8.230 nan 0.000 0.451 251 A N -0.415 122.373 122.820 -0.054 0.000 2.580 251 A HA 0.346 4.680 4.320 0.024 0.000 0.244 251 A C 1.587 179.212 177.584 0.067 0.000 1.045 251 A CA 0.942 52.978 52.037 -0.002 0.000 0.761 251 A CB -0.663 18.334 19.000 -0.005 0.000 0.962 251 A HN 0.754 nan 8.150 nan 0.000 0.512 252 G N 0.963 109.798 108.800 0.058 0.000 2.232 252 G HA2 -0.120 3.855 3.960 0.024 0.000 0.226 252 G HA3 -0.120 3.855 3.960 0.024 0.000 0.226 252 G C 0.198 175.164 174.900 0.109 0.000 0.996 252 G CA 0.174 45.326 45.100 0.087 0.000 0.626 252 G HN 1.709 nan 8.290 nan 0.000 0.509 253 L N 2.029 123.322 121.223 0.117 0.000 2.455 253 L HA 0.606 4.961 4.340 0.024 0.000 0.272 253 L C 0.456 177.371 176.870 0.075 0.000 1.174 253 L CA 0.066 54.985 54.840 0.131 0.000 0.869 253 L CB 0.904 43.002 42.059 0.065 0.000 1.130 253 L HN 0.306 nan 8.230 nan 0.000 0.474 254 E N 5.095 125.350 120.200 0.090 0.000 2.113 254 E HA 0.552 4.916 4.350 0.024 0.000 0.273 254 E C -1.643 175.006 176.600 0.082 0.000 0.924 254 E CA -0.744 55.699 56.400 0.073 0.000 0.764 254 E CB 1.110 30.854 29.700 0.073 0.000 1.104 254 E HN 0.542 nan 8.360 nan 0.000 0.406 255 V N 2.147 122.097 119.914 0.061 0.000 2.709 255 V HA 0.247 4.381 4.120 0.024 0.000 0.308 255 V C 0.660 176.782 176.094 0.046 0.000 1.062 255 V CA -0.828 61.509 62.300 0.061 0.000 0.901 255 V CB 1.403 33.244 31.823 0.030 0.000 1.003 255 V HN 0.845 nan 8.190 nan 0.000 0.425 256 H N 3.430 122.468 119.070 -0.054 0.000 2.326 256 H HA 0.156 4.726 4.556 0.024 0.000 0.301 256 H C 1.223 176.465 175.328 -0.143 0.000 1.081 256 H CA 2.154 58.135 56.048 -0.111 0.000 1.334 256 H CB 0.378 30.001 29.762 -0.232 0.000 1.385 256 H HN 0.708 nan 8.280 nan 0.000 0.504 257 R N 0.556 120.960 120.500 -0.159 0.000 2.468 257 R HA 0.295 4.650 4.340 0.024 0.000 0.302 257 R C -1.875 174.378 176.300 -0.077 0.000 1.041 257 R CA -0.813 55.187 56.100 -0.167 0.000 0.899 257 R CB 0.509 30.718 30.300 -0.152 0.000 1.167 257 R HN 0.220 nan 8.270 nan 0.000 0.483 258 L N 5.230 126.436 121.223 -0.029 0.000 2.276 258 L HA 0.475 4.830 4.340 0.024 0.000 0.286 258 L C -1.250 175.590 176.870 -0.050 0.000 1.061 258 L CA -0.273 54.583 54.840 0.026 0.000 0.807 258 L CB 1.764 43.904 42.059 0.135 0.000 1.177 258 L HN 0.372 nan 8.230 nan 0.000 0.429 259 V N 6.725 126.599 119.914 -0.067 0.000 2.444 259 V HA 0.436 4.570 4.120 0.024 0.000 0.294 259 V C -0.263 175.792 176.094 -0.064 0.000 1.022 259 V CA -0.575 61.640 62.300 -0.142 0.000 0.850 259 V CB 1.549 33.307 31.823 -0.108 0.000 0.992 259 V HN 0.562 nan 8.190 nan 0.000 0.426 260 L N 4.831 126.012 121.223 -0.070 0.000 2.316 260 L HA 0.815 5.169 4.340 0.024 0.000 0.280 260 L C 0.508 177.467 176.870 0.148 0.000 1.006 260 L CA -0.231 54.669 54.840 0.100 0.000 0.836 260 L CB 1.699 43.907 42.059 0.247 0.000 1.221 260 L HN 0.772 nan 8.230 nan 0.000 0.418 261 G N 1.647 110.423 108.800 -0.039 0.000 2.482 261 G HA2 0.634 4.609 3.960 0.024 0.000 0.317 261 G HA3 0.634 4.609 3.960 0.024 0.000 0.317 261 G C -1.475 172.890 174.900 -0.892 0.000 1.241 261 G CA -0.146 44.745 45.100 -0.349 0.000 0.967 261 G HN 0.426 nan 8.290 nan 0.000 0.482 262 E N 1.155 120.610 120.200 -1.241 0.000 2.334 262 E HA 0.382 4.747 4.350 0.024 0.000 0.280 262 E C -1.013 175.219 176.600 -0.613 0.000 0.899 262 E CA -0.786 54.923 56.400 -1.152 0.000 0.813 262 E CB 0.627 29.396 29.700 -1.551 0.000 1.318 262 E HN 0.361 nan 8.360 nan 0.000 0.399 263 F N 2.727 122.567 119.950 -0.184 0.000 2.661 263 F HA 0.350 4.893 4.527 0.027 0.000 0.306 263 F C 1.516 177.297 175.800 -0.030 0.000 1.094 263 F CA -0.424 57.529 58.000 -0.079 0.000 1.254 263 F CB 0.709 39.665 39.000 -0.073 0.000 1.040 263 F HN 0.132 nan 8.300 nan 0.000 0.562 264 R N 0.287 120.830 120.500 0.071 0.000 2.359 264 R HA 0.061 4.416 4.340 0.024 0.000 0.231 264 R C 0.200 176.541 176.300 0.070 0.000 0.913 264 R CA -0.318 55.817 56.100 0.059 0.000 1.075 264 R CB -0.220 30.083 30.300 0.006 0.000 1.087 264 R HN 0.061 nan 8.270 nan 0.000 0.515 265 N N 1.490 120.255 118.700 0.108 0.000 2.492 265 N HA -0.070 4.685 4.740 0.024 0.000 0.262 265 N C 0.243 175.774 175.510 0.035 0.000 1.202 265 N CA 0.316 53.401 53.050 0.057 0.000 0.926 265 N CB 0.922 39.423 38.487 0.024 0.000 1.078 265 N HN 0.045 nan 8.380 nan 0.000 0.454 266 E N 1.981 122.188 120.200 0.011 0.000 2.175 266 E HA 0.257 4.621 4.350 0.024 0.000 0.193 266 E C 1.393 177.995 176.600 0.004 0.000 0.962 266 E CA 0.167 56.574 56.400 0.012 0.000 0.981 266 E CB -0.928 28.779 29.700 0.011 0.000 1.093 266 E HN 0.521 nan 8.360 nan 0.000 0.483 267 G N 1.013 109.810 108.800 -0.004 0.000 2.751 267 G HA2 -0.055 3.920 3.960 0.024 0.000 0.142 267 G HA3 -0.055 3.920 3.960 0.024 0.000 0.142 267 G C 0.246 175.142 174.900 -0.007 0.000 1.783 267 G CA -0.227 44.870 45.100 -0.004 0.000 1.018 267 G HN 0.161 nan 8.290 nan 0.000 0.474 268 N N -0.683 118.013 118.700 -0.007 0.000 2.237 268 N HA 0.092 4.846 4.740 0.024 0.000 0.222 268 N C -0.294 175.215 175.510 -0.002 0.000 1.311 268 N CA -0.547 52.501 53.050 -0.004 0.000 0.880 268 N CB 0.186 38.675 38.487 0.003 0.000 1.106 268 N HN 0.091 nan 8.380 nan 0.000 0.435 269 L N 1.081 122.318 121.223 0.022 0.000 2.490 269 L HA 0.108 4.463 4.340 0.024 0.000 0.274 269 L C 0.445 177.405 176.870 0.150 0.000 1.201 269 L CA 0.555 55.448 54.840 0.089 0.000 0.869 269 L CB -0.018 42.116 42.059 0.125 0.000 1.123 269 L HN 0.526 nan 8.230 nan 0.000 0.484 270 E N 2.921 123.093 120.200 -0.047 0.000 2.191 270 E HA 0.324 4.688 4.350 0.024 0.000 0.274 270 E C -0.704 175.732 176.600 -0.274 0.000 0.948 270 E CA -0.857 55.395 56.400 -0.247 0.000 0.802 270 E CB 1.029 30.294 29.700 -0.726 0.000 1.137 270 E HN 0.478 nan 8.360 nan 0.000 0.397 271 K N 4.202 124.411 120.400 -0.317 0.000 2.322 271 K HA 0.112 4.447 4.320 0.024 0.000 0.283 271 K C -0.969 175.588 176.600 -0.073 0.000 1.042 271 K CA -0.373 55.591 56.287 -0.539 0.000 0.958 271 K CB 0.431 32.702 32.500 -0.382 0.000 0.984 271 K HN 0.458 nan 8.250 nan 0.000 0.473 272 F N 3.732 123.600 119.950 -0.138 0.000 2.335 272 F HA 0.125 4.667 4.527 0.024 0.000 0.365 272 F C -0.141 175.584 175.800 -0.125 0.000 1.122 272 F CA -0.889 57.106 58.000 -0.008 0.000 1.151 272 F CB 0.389 39.378 39.000 -0.018 0.000 1.282 272 F HN 0.776 nan 8.300 nan 0.000 0.513 273 D N 4.752 125.073 120.400 -0.131 0.000 2.586 273 D HA -0.110 4.545 4.640 0.024 0.000 0.234 273 D C 1.433 177.725 176.300 -0.014 0.000 1.132 273 D CA 0.616 54.557 54.000 -0.098 0.000 0.860 273 D CB 0.888 41.593 40.800 -0.159 0.000 1.159 273 D HN 0.710 nan 8.370 nan 0.000 0.490 274 K N 1.194 121.580 120.400 -0.023 0.000 2.281 274 K HA -0.150 4.184 4.320 0.024 0.000 0.203 274 K C 0.985 177.547 176.600 -0.064 0.000 1.046 274 K CA 1.330 57.587 56.287 -0.050 0.000 0.938 274 K CB 0.061 32.519 32.500 -0.071 0.000 0.737 274 K HN 0.207 nan 8.250 nan 0.000 0.458 275 S N 0.322 115.982 115.700 -0.066 0.000 2.511 275 S HA 0.232 4.717 4.470 0.024 0.000 0.214 275 S C 1.752 176.299 174.600 -0.088 0.000 0.997 275 S CA 0.161 58.316 58.200 -0.074 0.000 0.908 275 S CB 0.565 63.723 63.200 -0.070 0.000 0.803 275 S HN 0.483 nan 8.310 nan 0.000 0.504 276 A N 0.865 123.611 122.820 -0.123 0.000 2.214 276 A HA -0.097 4.237 4.320 0.024 0.000 0.221 276 A C 1.560 179.083 177.584 -0.103 0.000 1.167 276 A CA 1.337 53.259 52.037 -0.191 0.000 0.670 276 A CB -0.293 18.423 19.000 -0.474 0.000 0.797 276 A HN 0.404 nan 8.150 nan 0.000 0.477 277 L N -2.104 119.101 121.223 -0.031 0.000 2.858 277 L HA 0.285 4.640 4.340 0.024 0.000 0.251 277 L C 1.359 178.192 176.870 -0.062 0.000 1.149 277 L CA 0.530 55.355 54.840 -0.025 0.000 0.955 277 L CB 0.180 42.248 42.059 0.015 0.000 1.289 277 L HN 0.167 nan 8.230 nan 0.000 0.542 278 E N -0.330 119.831 120.200 -0.065 0.000 2.333 278 E HA -0.071 4.293 4.350 0.024 0.000 0.198 278 E C 2.130 178.693 176.600 -0.062 0.000 1.007 278 E CA 0.942 57.307 56.400 -0.058 0.000 0.845 278 E CB -0.275 29.392 29.700 -0.055 0.000 0.766 278 E HN 0.395 nan 8.360 nan 0.000 0.507 279 G N -0.016 108.738 108.800 -0.077 0.000 2.534 279 G HA2 -0.159 3.815 3.960 0.024 0.000 0.217 279 G HA3 -0.159 3.815 3.960 0.024 0.000 0.217 279 G C 1.119 175.971 174.900 -0.081 0.000 1.128 279 G CA 0.066 45.116 45.100 -0.082 0.000 0.784 279 G HN 0.175 nan 8.290 nan 0.000 0.542 280 L N 0.428 121.599 121.223 -0.087 0.000 2.551 280 L HA 0.092 4.446 4.340 0.024 0.000 0.228 280 L C 2.415 179.245 176.870 -0.068 0.000 1.153 280 L CA 0.388 55.169 54.840 -0.098 0.000 0.851 280 L CB -1.027 40.936 42.059 -0.159 0.000 0.959 280 L HN 0.242 nan 8.230 nan 0.000 0.451 281 c N 0.329 118.901 118.600 -0.046 0.000 2.456 281 c HA -0.066 4.518 4.570 0.024 0.000 0.279 281 c C 1.699 175.780 174.090 -0.016 0.000 1.427 281 c CA 0.371 56.687 56.329 -0.021 0.000 1.778 281 c CB -1.011 41.490 42.510 -0.014 0.000 1.842 281 c HN 0.598 nan 8.230 nan 0.000 0.531 282 N N 0.102 118.787 118.700 -0.026 0.000 2.279 282 N HA 0.243 4.997 4.740 0.024 0.000 0.226 282 N C -0.522 174.979 175.510 -0.015 0.000 1.126 282 N CA 0.245 53.285 53.050 -0.016 0.000 0.846 282 N CB 0.219 38.694 38.487 -0.020 0.000 1.050 282 N HN 0.246 nan 8.380 nan 0.000 0.502 283 L N -0.150 121.061 121.223 -0.020 0.000 2.301 283 L HA 0.542 4.896 4.340 0.024 0.000 0.264 283 L C -0.096 176.774 176.870 0.001 0.000 1.016 283 L CA -0.434 54.397 54.840 -0.016 0.000 0.821 283 L CB 1.853 43.886 42.059 -0.043 0.000 1.346 283 L HN -0.084 nan 8.230 nan 0.000 0.429 284 T N 2.772 117.335 114.554 0.015 0.000 2.874 284 T HA 0.620 4.984 4.350 0.024 0.000 0.321 284 T C 0.005 174.717 174.700 0.020 0.000 1.075 284 T CA -0.124 61.991 62.100 0.025 0.000 0.966 284 T CB 0.365 69.257 68.868 0.040 0.000 1.001 284 T HN 0.229 nan 8.240 nan 0.000 0.476 285 I N 2.477 123.053 120.570 0.010 0.000 2.433 285 I HA 0.379 4.564 4.170 0.024 0.000 0.292 285 I C 1.189 177.298 176.117 -0.014 0.000 1.001 285 I CA -0.697 60.600 61.300 -0.004 0.000 1.119 285 I CB 2.277 40.275 38.000 -0.003 0.000 1.289 285 I HN 0.399 nan 8.210 nan 0.000 0.438 286 E N 3.819 123.970 120.200 -0.081 0.000 2.166 286 E HA 0.117 4.482 4.350 0.024 0.000 0.192 286 E C -0.274 176.220 176.600 -0.177 0.000 0.967 286 E CA 1.176 57.496 56.400 -0.134 0.000 0.840 286 E CB 0.498 30.059 29.700 -0.231 0.000 0.795 286 E HN 0.585 nan 8.360 nan 0.000 0.470 287 E N -0.651 119.401 120.200 -0.247 0.000 2.256 287 E HA 0.333 4.698 4.350 0.024 0.000 0.268 287 E C -1.526 175.018 176.600 -0.094 0.000 0.877 287 E CA -0.765 55.510 56.400 -0.208 0.000 0.757 287 E CB 1.993 31.488 29.700 -0.341 0.000 1.183 287 E HN 0.027 nan 8.360 nan 0.000 0.418 288 F N 2.686 122.465 119.950 -0.285 0.000 2.529 288 F HA 0.496 5.038 4.527 0.025 0.000 0.320 288 F C -1.028 174.491 175.800 -0.469 0.000 1.118 288 F CA -0.734 57.073 58.000 -0.322 0.000 0.915 288 F CB 1.339 40.172 39.000 -0.278 0.000 1.161 288 F HN 0.304 nan 8.300 nan 0.000 0.445 289 R N 6.309 126.078 120.500 -1.218 0.000 2.534 289 R HA 0.715 5.070 4.340 0.024 0.000 0.301 289 R C -2.293 173.195 176.300 -1.353 0.000 0.961 289 R CA -0.944 54.453 56.100 -1.172 0.000 0.871 289 R CB 1.728 31.682 30.300 -0.577 0.000 1.170 289 R HN 0.816 nan 8.270 nan 0.000 0.446 290 L N 3.760 124.347 121.223 -1.060 0.000 2.343 290 L HA 0.607 4.962 4.340 0.024 0.000 0.278 290 L C -1.186 175.575 176.870 -0.182 0.000 0.996 290 L CA -0.015 54.512 54.840 -0.521 0.000 0.831 290 L CB 1.834 43.678 42.059 -0.358 0.000 1.232 290 L HN 0.809 nan 8.230 nan 0.000 0.413 291 A N 4.777 127.637 122.820 0.066 0.000 2.802 291 A HA 0.483 4.817 4.320 0.024 0.000 0.344 291 A C -1.531 176.253 177.584 0.333 0.000 1.215 291 A CA -0.211 51.933 52.037 0.179 0.000 0.821 291 A CB -0.223 18.908 19.000 0.218 0.000 1.099 291 A HN 0.551 nan 8.150 nan 0.000 0.479 292 Y N 1.689 122.014 120.300 0.042 0.000 2.721 292 Y HA 0.310 4.874 4.550 0.024 0.000 0.328 292 Y C 0.313 176.360 175.900 0.246 0.000 1.003 292 Y CA -1.045 57.075 58.100 0.034 0.000 1.275 292 Y CB 1.127 39.499 38.460 -0.147 0.000 1.097 292 Y HN 0.598 nan 8.280 nan 0.000 0.514 293 L N 4.395 125.819 121.223 0.335 0.000 2.628 293 L HA -0.079 4.275 4.340 0.024 0.000 0.274 293 L C 0.173 177.259 176.870 0.360 0.000 1.209 293 L CA 0.650 55.675 54.840 0.308 0.000 0.930 293 L CB 0.268 42.491 42.059 0.274 0.000 1.183 293 L HN 0.708 nan 8.230 nan 0.000 0.492 294 D N 2.322 122.876 120.400 0.256 0.000 2.792 294 D HA -0.272 4.383 4.640 0.024 0.000 0.231 294 D C -0.875 175.569 176.300 0.240 0.000 1.160 294 D CA 1.013 55.134 54.000 0.202 0.000 0.697 294 D CB -1.164 39.704 40.800 0.113 0.000 1.070 294 D HN 0.298 nan 8.370 nan 0.000 0.426 295 Y N -0.245 120.191 120.300 0.226 0.000 2.354 295 Y HA 0.426 4.990 4.550 0.023 0.000 0.322 295 Y C 0.694 176.751 175.900 0.261 0.000 1.253 295 Y CA -0.826 57.432 58.100 0.264 0.000 1.272 295 Y CB 0.835 39.527 38.460 0.387 0.000 1.255 295 Y HN 0.066 nan 8.280 nan 0.000 0.500 296 Y N 0.346 120.795 120.300 0.249 0.000 2.446 296 Y HA 0.774 5.338 4.550 0.024 0.000 0.345 296 Y C -1.787 174.213 175.900 0.166 0.000 0.984 296 Y CA -1.667 56.524 58.100 0.151 0.000 1.058 296 Y CB 0.822 39.327 38.460 0.075 0.000 1.220 296 Y HN 0.351 nan 8.280 nan 0.000 0.455 297 L N 3.436 124.769 121.223 0.183 0.000 2.309 297 L HA 0.381 4.735 4.340 0.024 0.000 0.282 297 L C -0.482 176.465 176.870 0.128 0.000 1.036 297 L CA -0.539 54.343 54.840 0.069 0.000 0.806 297 L CB 1.692 43.770 42.059 0.033 0.000 1.220 297 L HN 0.813 nan 8.230 nan 0.000 0.429 298 D N -0.015 120.421 120.400 0.059 0.000 2.469 298 D HA 0.109 4.764 4.640 0.024 0.000 0.215 298 D C -0.428 175.885 176.300 0.023 0.000 1.154 298 D CA 0.216 54.273 54.000 0.094 0.000 0.832 298 D CB 0.746 41.614 40.800 0.113 0.000 1.008 298 D HN 0.512 nan 8.370 nan 0.000 0.506 299 D N -0.351 120.032 120.400 -0.028 0.000 2.602 299 D HA 0.161 4.816 4.640 0.024 0.000 0.236 299 D C 0.116 176.341 176.300 -0.124 0.000 1.209 299 D CA -0.473 53.483 54.000 -0.074 0.000 0.831 299 D CB 1.636 42.378 40.800 -0.096 0.000 1.478 299 D HN -0.195 nan 8.370 nan 0.000 0.438 300 I N 1.643 122.146 120.570 -0.110 0.000 3.990 300 I HA -0.007 4.178 4.170 0.024 0.000 0.275 300 I C 2.092 178.217 176.117 0.012 0.000 1.157 300 I CA 0.017 61.289 61.300 -0.047 0.000 1.338 300 I CB -0.984 36.970 38.000 -0.077 0.000 1.588 300 I HN 0.421 nan 8.210 nan 0.000 0.441 301 I N 2.390 122.930 120.570 -0.050 0.000 2.163 301 I HA -0.258 3.926 4.170 0.024 0.000 0.243 301 I C 1.774 177.824 176.117 -0.112 0.000 1.085 301 I CA 2.244 63.459 61.300 -0.141 0.000 1.347 301 I CB -0.388 37.413 38.000 -0.333 0.000 1.044 301 I HN 0.132 nan 8.210 nan 0.000 0.408 302 D N 0.019 120.347 120.400 -0.120 0.000 2.240 302 D HA -0.028 4.626 4.640 0.024 0.000 0.206 302 D C 2.259 178.485 176.300 -0.123 0.000 0.963 302 D CA 0.775 54.714 54.000 -0.102 0.000 0.863 302 D CB -0.354 40.389 40.800 -0.094 0.000 0.973 302 D HN 0.389 nan 8.370 nan 0.000 0.501 303 L N -0.353 120.734 121.223 -0.226 0.000 2.013 303 L HA -0.156 4.198 4.340 0.024 0.000 0.212 303 L C 1.223 177.828 176.870 -0.442 0.000 1.073 303 L CA 1.466 56.045 54.840 -0.434 0.000 0.753 303 L CB -0.098 41.502 42.059 -0.764 0.000 0.890 303 L HN -0.019 nan 8.230 nan 0.000 0.432 304 F N -1.298 118.665 119.950 0.021 0.000 2.639 304 F HA 0.078 4.620 4.527 0.024 0.000 0.300 304 F C 1.729 177.584 175.800 0.091 0.000 1.109 304 F CA -0.300 57.722 58.000 0.038 0.000 1.335 304 F CB -0.242 38.734 39.000 -0.041 0.000 1.014 304 F HN 0.163 nan 8.300 nan 0.000 0.537 305 N N 0.902 119.706 118.700 0.173 0.000 2.061 305 N HA -0.214 4.541 4.740 0.024 0.000 0.193 305 N C 1.467 177.061 175.510 0.140 0.000 1.030 305 N CA 1.906 55.039 53.050 0.140 0.000 0.856 305 N CB -0.474 38.032 38.487 0.031 0.000 1.023 305 N HN 0.229 nan 8.380 nan 0.000 0.424 306 c N -0.116 118.535 118.600 0.085 0.000 2.511 306 c HA 0.153 4.738 4.570 0.024 0.000 0.277 306 c C 1.319 175.449 174.090 0.067 0.000 1.451 306 c CA -0.106 56.252 56.329 0.048 0.000 1.735 306 c CB -1.484 41.016 42.510 -0.016 0.000 1.704 306 c HN 0.444 nan 8.230 nan 0.000 0.571 307 L N -0.845 120.477 121.223 0.164 0.000 2.858 307 L HA 0.105 4.459 4.340 0.024 0.000 0.251 307 L C 2.225 179.373 176.870 0.463 0.000 1.149 307 L CA 0.738 55.719 54.840 0.236 0.000 0.955 307 L CB -1.754 40.457 42.059 0.254 0.000 1.289 307 L HN 0.176 nan 8.230 nan 0.000 0.542 308 T N 1.047 115.837 114.554 0.393 0.000 2.721 308 T HA -0.162 4.203 4.350 0.024 0.000 0.268 308 T C 1.479 176.378 174.700 0.332 0.000 1.038 308 T CA 1.688 64.034 62.100 0.411 0.000 1.145 308 T CB 0.058 69.104 68.868 0.297 0.000 0.858 308 T HN 0.314 nan 8.240 nan 0.000 0.459 309 N N 0.660 119.527 118.700 0.278 0.000 2.280 309 N HA 0.122 4.877 4.740 0.024 0.000 0.192 309 N C 0.172 175.836 175.510 0.257 0.000 1.109 309 N CA -0.021 53.163 53.050 0.223 0.000 0.855 309 N CB 0.210 38.781 38.487 0.140 0.000 0.974 309 N HN 0.240 nan 8.380 nan 0.000 0.482 310 V N 1.933 122.051 119.914 0.340 0.000 2.740 310 V HA -0.052 4.083 4.120 0.024 0.000 0.303 310 V C 1.605 177.870 176.094 0.285 0.000 1.054 310 V CA 0.409 62.854 62.300 0.241 0.000 1.106 310 V CB 1.106 33.041 31.823 0.187 0.000 0.957 310 V HN 0.364 nan 8.190 nan 0.000 0.486 311 S N 3.566 119.356 115.700 0.150 0.000 2.414 311 S HA 0.034 4.518 4.470 0.024 0.000 0.227 311 S C 0.921 175.599 174.600 0.130 0.000 1.022 311 S CA 0.695 58.985 58.200 0.150 0.000 0.958 311 S CB 0.059 63.306 63.200 0.078 0.000 0.797 311 S HN 0.858 nan 8.310 nan 0.000 0.493 312 S N 0.224 115.938 115.700 0.024 0.000 2.659 312 S HA 0.635 5.120 4.470 0.024 0.000 0.312 312 S C -1.396 173.127 174.600 -0.128 0.000 1.114 312 S CA -0.820 57.366 58.200 -0.023 0.000 1.063 312 S CB 0.463 63.567 63.200 -0.161 0.000 0.996 312 S HN 0.361 nan 8.310 nan 0.000 0.478 313 F N 4.051 123.746 119.950 -0.426 0.000 2.443 313 F HA 0.724 5.266 4.527 0.024 0.000 0.335 313 F C 0.006 175.524 175.800 -0.470 0.000 1.104 313 F CA -0.197 57.376 58.000 -0.711 0.000 1.013 313 F CB 1.905 39.844 39.000 -1.768 0.000 1.136 313 F HN 0.508 nan 8.300 nan 0.000 0.470 314 S N 6.825 121.910 115.700 -1.025 0.000 2.677 314 S HA 0.648 5.132 4.470 0.024 0.000 0.283 314 S C -1.624 172.529 174.600 -0.745 0.000 1.159 314 S CA -0.642 57.164 58.200 -0.656 0.000 1.001 314 S CB 0.562 63.488 63.200 -0.457 0.000 1.032 314 S HN 0.651 nan 8.310 nan 0.000 0.487 315 L N 4.997 125.983 121.223 -0.395 0.000 2.349 315 L HA 0.702 5.056 4.340 0.024 0.000 0.278 315 L C -1.129 175.673 176.870 -0.113 0.000 0.996 315 L CA -0.841 53.857 54.840 -0.236 0.000 0.825 315 L CB 1.936 43.980 42.059 -0.024 0.000 1.243 315 L HN 0.410 nan 8.230 nan 0.000 0.412 316 V N 2.127 121.982 119.914 -0.097 0.000 2.483 316 V HA 0.312 4.446 4.120 0.024 0.000 0.297 316 V C 0.413 176.513 176.094 0.011 0.000 1.027 316 V CA 0.106 62.376 62.300 -0.050 0.000 0.855 316 V CB 1.633 33.413 31.823 -0.072 0.000 0.995 316 V HN 0.992 nan 8.190 nan 0.000 0.424 317 S N 1.964 117.670 115.700 0.009 0.000 3.018 317 S HA -0.167 4.318 4.470 0.024 0.000 0.274 317 S C 0.018 174.667 174.600 0.083 0.000 1.300 317 S CA 0.765 58.988 58.200 0.039 0.000 1.179 317 S CB -2.600 60.629 63.200 0.047 0.000 1.427 317 S HN 1.936 nan 8.310 nan 0.000 0.668 318 V N -1.272 118.680 119.914 0.064 0.000 3.036 318 V HA 0.876 5.011 4.120 0.024 0.000 0.308 318 V C 0.465 176.564 176.094 0.008 0.000 1.070 318 V CA -0.035 62.322 62.300 0.096 0.000 1.056 318 V CB 1.493 33.370 31.823 0.090 0.000 1.084 318 V HN 0.467 nan 8.190 nan 0.000 0.471 319 T N 4.264 118.861 114.554 0.072 0.000 2.758 319 T HA 0.686 5.050 4.350 0.024 0.000 0.285 319 T C -0.300 174.405 174.700 0.009 0.000 0.981 319 T CA 0.118 62.224 62.100 0.011 0.000 0.965 319 T CB 0.532 69.454 68.868 0.091 0.000 0.927 319 T HN 0.608 nan 8.240 nan 0.000 0.448 320 I N 3.974 124.449 120.570 -0.157 0.000 2.537 320 I HA 0.256 4.441 4.170 0.024 0.000 0.276 320 I C 1.193 177.340 176.117 0.050 0.000 1.063 320 I CA -0.371 60.896 61.300 -0.054 0.000 1.144 320 I CB 0.813 38.747 38.000 -0.111 0.000 1.252 320 I HN 0.728 nan 8.210 nan 0.000 0.480 321 E N 4.724 124.979 120.200 0.091 0.000 2.176 321 E HA 0.017 4.382 4.350 0.024 0.000 0.194 321 E C 1.844 178.509 176.600 0.109 0.000 0.947 321 E CA -0.212 56.248 56.400 0.101 0.000 0.960 321 E CB -0.093 29.634 29.700 0.046 0.000 1.002 321 E HN 0.309 nan 8.360 nan 0.000 0.479 322 R N 2.576 123.133 120.500 0.094 0.000 2.133 322 R HA -0.130 4.224 4.340 0.024 0.000 0.245 322 R C 1.110 177.460 176.300 0.084 0.000 1.137 322 R CA 1.932 58.082 56.100 0.084 0.000 0.947 322 R CB -1.276 29.081 30.300 0.096 0.000 0.865 322 R HN 0.246 nan 8.270 nan 0.000 0.437 323 V N -0.421 119.546 119.914 0.089 0.000 2.743 323 V HA 0.433 4.568 4.120 0.024 0.000 0.301 323 V C 0.374 176.550 176.094 0.136 0.000 1.057 323 V CA -0.267 62.076 62.300 0.071 0.000 1.006 323 V CB 1.759 33.589 31.823 0.012 0.000 1.024 323 V HN 0.486 nan 8.190 nan 0.000 0.473 324 K N 1.047 121.529 120.400 0.138 0.000 2.637 324 K HA 0.191 4.526 4.320 0.024 0.000 0.184 324 K C -0.779 175.956 176.600 0.224 0.000 1.200 324 K CA 0.012 56.441 56.287 0.237 0.000 1.122 324 K CB 0.250 32.869 32.500 0.198 0.000 0.926 324 K HN 0.904 nan 8.250 nan 0.000 0.535 325 D N 0.315 120.802 120.400 0.146 0.000 2.402 325 D HA 0.205 4.860 4.640 0.024 0.000 0.252 325 D C -0.326 176.071 176.300 0.160 0.000 1.294 325 D CA -0.532 53.575 54.000 0.179 0.000 0.948 325 D CB 0.181 41.048 40.800 0.113 0.000 1.202 325 D HN -0.156 nan 8.370 nan 0.000 0.561 326 F N 1.067 121.143 119.950 0.210 0.000 2.797 326 F HA 0.013 4.555 4.527 0.025 0.000 0.302 326 F C 1.728 177.695 175.800 0.277 0.000 1.130 326 F CA -0.309 57.888 58.000 0.327 0.000 1.387 326 F CB -0.025 39.151 39.000 0.294 0.000 1.107 326 F HN 0.234 nan 8.300 nan 0.000 0.577 327 S N 0.233 116.119 115.700 0.310 0.000 3.716 327 S HA 0.032 4.517 4.470 0.024 0.000 0.254 327 S C -0.276 174.373 174.600 0.080 0.000 1.209 327 S CA -0.244 58.048 58.200 0.154 0.000 1.026 327 S CB -1.005 62.257 63.200 0.104 0.000 1.625 327 S HN 0.378 nan 8.310 nan 0.000 0.500 328 Y N 2.325 122.491 120.300 -0.224 0.000 3.310 328 Y HA 0.456 5.020 4.550 0.024 0.000 0.309 328 Y C 0.925 176.567 175.900 -0.430 0.000 1.629 328 Y CA -1.295 56.520 58.100 -0.475 0.000 0.862 328 Y CB 0.642 38.479 38.460 -1.039 0.000 1.296 328 Y HN 0.452 nan 8.280 nan 0.000 0.737 329 N N -0.483 117.746 118.700 -0.785 0.000 2.238 329 N HA 0.182 4.936 4.740 0.024 0.000 0.235 329 N C -1.274 174.037 175.510 -0.331 0.000 1.209 329 N CA -0.234 52.509 53.050 -0.511 0.000 0.879 329 N CB 0.025 38.166 38.487 -0.576 0.000 1.136 329 N HN 0.126 nan 8.380 nan 0.000 0.517 330 F N 0.512 120.301 119.950 -0.268 0.000 2.594 330 F HA -0.014 4.528 4.527 0.024 0.000 0.384 330 F C 1.881 177.395 175.800 -0.476 0.000 1.060 330 F CA 0.401 58.027 58.000 -0.622 0.000 1.278 330 F CB 0.320 38.339 39.000 -1.636 0.000 0.977 330 F HN 0.031 nan 8.300 nan 0.000 0.576 331 G N 3.707 112.447 108.800 -0.099 0.000 3.383 331 G HA2 -0.017 3.958 3.960 0.024 0.000 0.251 331 G HA3 -0.017 3.958 3.960 0.024 0.000 0.251 331 G C -0.212 174.803 174.900 0.191 0.000 1.203 331 G CA -0.485 44.639 45.100 0.041 0.000 0.852 331 G HN 0.461 nan 8.290 nan 0.000 0.531 332 W N 0.298 121.684 121.300 0.144 0.000 2.193 332 W HA 0.253 4.927 4.660 0.024 0.000 0.338 332 W C 0.969 177.549 176.519 0.102 0.000 1.310 332 W CA -0.611 56.802 57.345 0.114 0.000 1.243 332 W CB 0.279 29.794 29.460 0.092 0.000 1.165 332 W HN 0.281 nan 8.180 nan 0.000 0.566 333 Q N 0.061 120.055 119.800 0.324 0.000 2.402 333 Q HA -0.022 4.332 4.340 0.024 0.000 0.231 333 Q C 0.351 176.476 176.000 0.208 0.000 0.888 333 Q CA 0.659 56.591 55.803 0.214 0.000 0.938 333 Q CB 0.635 29.469 28.738 0.160 0.000 1.086 333 Q HN 0.313 nan 8.270 nan 0.000 0.543 334 H N 0.292 119.431 119.070 0.115 0.000 2.658 334 H HA 0.414 4.984 4.556 0.024 0.000 0.337 334 H C -1.884 173.477 175.328 0.054 0.000 1.009 334 H CA -0.807 55.267 56.048 0.044 0.000 1.231 334 H CB 1.426 31.166 29.762 -0.037 0.000 1.508 334 H HN 0.011 nan 8.280 nan 0.000 0.517 335 L N 5.082 126.201 121.223 -0.173 0.000 2.349 335 L HA 0.388 4.743 4.340 0.024 0.000 0.278 335 L C -0.705 176.064 176.870 -0.168 0.000 0.996 335 L CA -0.336 54.481 54.840 -0.039 0.000 0.825 335 L CB 1.584 43.703 42.059 0.100 0.000 1.243 335 L HN 0.766 nan 8.230 nan 0.000 0.412 336 E N 5.727 125.893 120.200 -0.056 0.000 2.185 336 E HA 0.516 4.881 4.350 0.024 0.000 0.261 336 E C -1.874 174.699 176.600 -0.045 0.000 0.879 336 E CA -0.558 55.822 56.400 -0.033 0.000 0.756 336 E CB 1.117 30.866 29.700 0.081 0.000 1.152 336 E HN 0.720 nan 8.360 nan 0.000 0.416 337 L N 5.617 126.830 121.223 -0.017 0.000 2.388 337 L HA 0.469 4.823 4.340 0.024 0.000 0.267 337 L C -0.781 176.049 176.870 -0.067 0.000 0.995 337 L CA -1.014 53.833 54.840 0.012 0.000 0.864 337 L CB 1.463 43.588 42.059 0.110 0.000 1.216 337 L HN 0.367 nan 8.230 nan 0.000 0.430 338 V N 0.145 120.027 119.914 -0.054 0.000 2.709 338 V HA 0.515 4.649 4.120 0.024 0.000 0.308 338 V C 0.280 176.338 176.094 -0.061 0.000 1.062 338 V CA -0.580 61.669 62.300 -0.085 0.000 0.901 338 V CB 1.699 33.478 31.823 -0.074 0.000 1.003 338 V HN 0.925 nan 8.190 nan 0.000 0.425 339 N N 1.690 120.349 118.700 -0.068 0.000 2.740 339 N HA -0.161 4.594 4.740 0.024 0.000 0.248 339 N C -0.271 175.227 175.510 -0.020 0.000 1.062 339 N CA 0.899 53.923 53.050 -0.043 0.000 0.704 339 N CB -0.909 37.546 38.487 -0.054 0.000 0.968 339 N HN 0.915 nan 8.380 nan 0.000 0.547 340 C N 0.620 119.918 119.300 -0.003 0.000 2.486 340 C HA 0.579 5.053 4.460 0.024 0.000 0.348 340 C C -0.015 174.956 174.990 -0.031 0.000 1.203 340 C CA -0.924 58.062 59.018 -0.054 0.000 1.911 340 C CB 1.881 29.519 27.740 -0.171 0.000 2.340 340 C HN 0.203 nan 8.230 nan 0.000 0.511 341 K N 1.103 121.430 120.400 -0.122 0.000 2.265 341 K HA 0.408 4.743 4.320 0.024 0.000 0.267 341 K C -0.737 175.789 176.600 -0.124 0.000 0.994 341 K CA -0.097 56.174 56.287 -0.026 0.000 0.860 341 K CB 1.159 33.663 32.500 0.008 0.000 1.099 341 K HN 0.668 nan 8.250 nan 0.000 0.448 342 F N 0.080 120.113 119.950 0.139 0.000 2.712 342 F HA 0.108 4.648 4.527 0.022 0.000 0.297 342 F C 1.708 177.600 175.800 0.153 0.000 1.114 342 F CA 0.633 58.739 58.000 0.177 0.000 1.305 342 F CB 0.584 39.725 39.000 0.235 0.000 1.086 342 F HN 0.873 nan 8.300 nan 0.000 0.599 343 G N 0.192 109.160 108.800 0.281 0.000 2.412 343 G HA2 -0.334 3.640 3.960 0.024 0.000 0.252 343 G HA3 -0.334 3.640 3.960 0.024 0.000 0.252 343 G C 0.387 175.413 174.900 0.211 0.000 1.038 343 G CA 0.739 45.958 45.100 0.198 0.000 0.628 343 G HN 0.415 nan 8.290 nan 0.000 0.531 344 Q N -1.604 118.365 119.800 0.282 0.000 2.503 344 Q HA 0.408 4.762 4.340 0.024 0.000 0.268 344 Q C -1.441 174.708 176.000 0.250 0.000 0.982 344 Q CA -0.918 55.026 55.803 0.235 0.000 0.907 344 Q CB 0.988 29.830 28.738 0.174 0.000 1.467 344 Q HN 0.404 nan 8.270 nan 0.000 0.394 345 F N 6.231 126.206 119.950 0.041 0.000 2.538 345 F HA 0.187 4.727 4.527 0.022 0.000 0.382 345 F C -1.802 173.902 175.800 -0.161 0.000 1.069 345 F CA -0.766 57.162 58.000 -0.120 0.000 1.138 345 F CB 0.684 39.564 39.000 -0.201 0.000 1.068 345 F HN 0.241 nan 8.300 nan 0.000 0.556 346 P HA 0.062 nan 4.420 nan 0.000 0.271 346 P C -0.749 176.471 177.300 -0.133 0.000 1.216 346 P CA -0.333 62.676 63.100 -0.152 0.000 0.776 346 P CB 0.700 32.394 31.700 -0.009 0.000 0.881 347 T N 1.705 116.287 114.554 0.048 0.000 2.834 347 T HA 0.448 4.812 4.350 0.024 0.000 0.298 347 T C 0.217 174.972 174.700 0.091 0.000 0.966 347 T CA -0.523 61.613 62.100 0.060 0.000 1.141 347 T CB -0.151 68.750 68.868 0.054 0.000 0.905 347 T HN 0.228 nan 8.240 nan 0.000 0.535 348 L N 2.751 124.017 121.223 0.072 0.000 2.381 348 L HA 0.589 4.944 4.340 0.024 0.000 0.274 348 L C 0.044 176.967 176.870 0.088 0.000 0.988 348 L CA -0.927 53.972 54.840 0.098 0.000 0.824 348 L CB 1.967 44.058 42.059 0.053 0.000 1.263 348 L HN 0.617 nan 8.230 nan 0.000 0.410 349 K N 5.606 126.055 120.400 0.081 0.000 2.675 349 K HA 0.616 4.951 4.320 0.024 0.000 0.224 349 K C -1.569 175.045 176.600 0.024 0.000 1.003 349 K CA -0.310 56.003 56.287 0.044 0.000 1.034 349 K CB 1.601 34.108 32.500 0.012 0.000 1.218 349 K HN 0.480 nan 8.250 nan 0.000 0.507 350 L N 3.368 124.616 121.223 0.042 0.000 2.406 350 L HA 0.357 4.712 4.340 0.024 0.000 0.272 350 L C 1.098 177.987 176.870 0.032 0.000 0.980 350 L CA -0.785 54.070 54.840 0.026 0.000 0.831 350 L CB 1.872 43.973 42.059 0.069 0.000 1.253 350 L HN 0.527 nan 8.230 nan 0.000 0.406 351 K N -0.419 119.983 120.400 0.003 0.000 2.288 351 K HA 0.033 4.367 4.320 0.024 0.000 0.201 351 K C 0.854 177.475 176.600 0.036 0.000 1.048 351 K CA 1.191 57.486 56.287 0.013 0.000 0.956 351 K CB 0.168 32.660 32.500 -0.014 0.000 0.746 351 K HN 0.452 nan 8.250 nan 0.000 0.461 352 S N 0.341 116.070 115.700 0.049 0.000 2.540 352 S HA 0.153 4.637 4.470 0.024 0.000 0.222 352 S C -0.117 174.544 174.600 0.102 0.000 1.008 352 S CA -0.657 57.586 58.200 0.071 0.000 0.939 352 S CB 0.183 63.426 63.200 0.071 0.000 0.865 352 S HN 0.185 nan 8.310 nan 0.000 0.499 353 L N 3.150 124.441 121.223 0.113 0.000 2.500 353 L HA 0.173 4.528 4.340 0.024 0.000 0.272 353 L C 0.763 177.696 176.870 0.104 0.000 1.149 353 L CA 0.782 55.700 54.840 0.130 0.000 0.897 353 L CB 0.371 42.514 42.059 0.140 0.000 1.178 353 L HN -0.031 nan 8.230 nan 0.000 0.473 354 K N 4.303 124.762 120.400 0.099 0.000 2.313 354 K HA 0.257 4.591 4.320 0.024 0.000 0.197 354 K C -0.169 176.483 176.600 0.086 0.000 1.061 354 K CA 0.318 56.657 56.287 0.087 0.000 0.980 354 K CB 0.425 32.971 32.500 0.077 0.000 0.888 354 K HN 0.449 nan 8.250 nan 0.000 0.502 355 R N 1.407 121.934 120.500 0.045 0.000 2.451 355 R HA 0.312 4.667 4.340 0.024 0.000 0.307 355 R C -1.500 174.735 176.300 -0.109 0.000 0.965 355 R CA -0.770 55.327 56.100 -0.004 0.000 0.865 355 R CB 1.664 31.881 30.300 -0.139 0.000 1.174 355 R HN -0.059 nan 8.270 nan 0.000 0.455 356 L N 1.858 123.101 121.223 0.034 0.000 2.305 356 L HA 0.454 4.809 4.340 0.024 0.000 0.284 356 L C -0.735 176.171 176.870 0.061 0.000 1.013 356 L CA 0.106 54.941 54.840 -0.008 0.000 0.819 356 L CB 2.149 44.242 42.059 0.057 0.000 1.227 356 L HN 0.490 nan 8.230 nan 0.000 0.417 357 T N 6.164 120.704 114.554 -0.022 0.000 2.874 357 T HA 0.363 4.727 4.350 0.024 0.000 0.321 357 T C -0.968 173.805 174.700 0.120 0.000 1.075 357 T CA 0.138 62.282 62.100 0.073 0.000 0.966 357 T CB -0.138 68.750 68.868 0.034 0.000 1.001 357 T HN 0.376 nan 8.240 nan 0.000 0.476 358 F N 3.711 123.672 119.950 0.019 0.000 2.366 358 F HA 0.546 5.088 4.527 0.025 0.000 0.366 358 F C -0.258 175.586 175.800 0.073 0.000 1.096 358 F CA -0.202 57.802 58.000 0.006 0.000 1.060 358 F CB 0.783 39.775 39.000 -0.014 0.000 1.282 358 F HN 0.370 nan 8.300 nan 0.000 0.450 359 T N 2.497 116.920 114.554 -0.218 0.000 2.916 359 T HA 0.302 4.667 4.350 0.024 0.000 0.305 359 T C 0.027 174.633 174.700 -0.156 0.000 1.119 359 T CA -0.831 61.207 62.100 -0.103 0.000 1.008 359 T CB 1.706 70.567 68.868 -0.012 0.000 1.129 359 T HN 0.398 nan 8.240 nan 0.000 0.480 360 S N 1.870 117.521 115.700 -0.080 0.000 3.533 360 S HA -0.152 4.332 4.470 0.024 0.000 0.347 360 S C 0.367 174.926 174.600 -0.068 0.000 1.101 360 S CA 0.526 58.688 58.200 -0.064 0.000 1.009 360 S CB -1.305 61.852 63.200 -0.072 0.000 0.916 360 S HN 0.705 nan 8.310 nan 0.000 0.496 361 N N 1.159 119.795 118.700 -0.108 0.000 2.482 361 N HA 0.455 5.209 4.740 0.024 0.000 0.279 361 N C -0.058 175.494 175.510 0.070 0.000 1.182 361 N CA -0.363 52.661 53.050 -0.044 0.000 0.969 361 N CB 0.773 39.157 38.487 -0.171 0.000 1.201 361 N HN 0.259 nan 8.380 nan 0.000 0.523 362 K N -0.256 120.223 120.400 0.131 0.000 2.385 362 K HA 0.581 4.915 4.320 0.024 0.000 0.248 362 K C -0.762 175.968 176.600 0.216 0.000 0.955 362 K CA -0.548 55.831 56.287 0.152 0.000 0.816 362 K CB 1.817 34.378 32.500 0.102 0.000 1.250 362 K HN 0.753 nan 8.250 nan 0.000 0.434 363 G N 0.368 109.293 108.800 0.209 0.000 3.069 363 G HA2 0.236 4.210 3.960 0.024 0.000 0.686 363 G HA3 0.236 4.210 3.960 0.024 0.000 0.686 363 G C 0.084 175.142 174.900 0.262 0.000 1.161 363 G CA -0.226 45.008 45.100 0.223 0.000 0.804 363 G HN 1.014 nan 8.290 nan 0.000 0.608 364 G N 0.831 109.752 108.800 0.203 0.000 2.392 364 G HA2 0.038 4.012 3.960 0.024 0.000 0.256 364 G HA3 0.038 4.012 3.960 0.024 0.000 0.256 364 G C 0.478 175.501 174.900 0.204 0.000 0.920 364 G CA 0.634 45.848 45.100 0.190 0.000 1.316 364 G HN 2.355 nan 8.290 nan 0.000 0.416 365 N N -0.233 118.560 118.700 0.155 0.000 2.683 365 N HA 0.468 5.222 4.740 0.024 0.000 0.256 365 N C 0.387 175.952 175.510 0.092 0.000 1.270 365 N CA 0.445 53.585 53.050 0.151 0.000 0.954 365 N CB 0.746 39.310 38.487 0.128 0.000 1.289 365 N HN 1.254 nan 8.380 nan 0.000 0.508 366 A N 0.269 123.123 122.820 0.056 0.000 2.414 366 A HA 0.451 4.785 4.320 0.024 0.000 0.286 366 A C -1.009 176.410 177.584 -0.276 0.000 1.073 366 A CA -0.930 51.056 52.037 -0.084 0.000 0.727 366 A CB 0.452 19.414 19.000 -0.064 0.000 1.215 366 A HN 0.329 nan 8.150 nan 0.000 0.430 367 F N 3.627 123.131 119.950 -0.743 0.000 2.553 367 F HA 0.475 5.016 4.527 0.024 0.000 0.356 367 F C 0.672 175.956 175.800 -0.859 0.000 1.142 367 F CA 1.030 58.278 58.000 -1.254 0.000 1.322 367 F CB 0.878 38.829 39.000 -1.748 0.000 1.126 367 F HN 0.658 nan 8.300 nan 0.000 0.599 368 S N 4.138 118.612 115.700 -2.043 0.000 2.547 368 S HA 0.395 4.879 4.470 0.024 0.000 0.281 368 S C -1.179 172.606 174.600 -1.358 0.000 1.118 368 S CA -1.093 56.389 58.200 -1.197 0.000 0.947 368 S CB 1.160 64.071 63.200 -0.481 0.000 1.053 368 S HN 0.735 nan 8.310 nan 0.000 0.482 369 E N 1.417 121.126 120.200 -0.817 0.000 2.568 369 E HA 0.226 4.590 4.350 0.024 0.000 0.262 369 E C 0.331 176.797 176.600 -0.223 0.000 0.961 369 E CA 0.149 56.285 56.400 -0.440 0.000 0.945 369 E CB 0.361 29.935 29.700 -0.211 0.000 0.924 369 E HN 0.681 nan 8.360 nan 0.000 0.467 370 V N -0.392 119.522 119.914 0.000 0.000 2.960 370 V HA 0.478 4.613 4.120 0.024 0.000 0.315 370 V C -0.690 175.480 176.094 0.126 0.000 1.087 370 V CA -1.059 61.304 62.300 0.106 0.000 0.982 370 V CB 2.229 34.186 31.823 0.224 0.000 1.039 370 V HN 0.544 nan 8.190 nan 0.000 0.437 371 D N 2.184 122.643 120.400 0.099 0.000 2.462 371 D HA 0.556 5.211 4.640 0.024 0.000 0.249 371 D C -0.755 175.602 176.300 0.096 0.000 1.117 371 D CA -0.048 54.004 54.000 0.086 0.000 0.900 371 D CB 0.641 41.467 40.800 0.043 0.000 1.039 371 D HN 0.672 nan 8.370 nan 0.000 0.516 372 L N 5.453 126.754 121.223 0.129 0.000 2.488 372 L HA 0.396 4.750 4.340 0.024 0.000 0.250 372 L C -2.247 174.691 176.870 0.113 0.000 1.280 372 L CA -1.694 53.219 54.840 0.120 0.000 0.929 372 L CB 1.338 43.484 42.059 0.145 0.000 1.200 372 L HN 0.198 nan 8.230 nan 0.000 0.495 373 P HA 0.031 nan 4.420 nan 0.000 0.271 373 P C 0.691 178.037 177.300 0.078 0.000 1.218 373 P CA 0.464 63.612 63.100 0.080 0.000 0.780 373 P CB 1.572 33.307 31.700 0.057 0.000 0.901 374 S N -0.116 115.631 115.700 0.079 0.000 3.018 374 S HA -0.212 4.273 4.470 0.024 0.000 0.274 374 S C -0.101 174.550 174.600 0.085 0.000 1.300 374 S CA 0.486 58.731 58.200 0.076 0.000 1.179 374 S CB -2.438 60.803 63.200 0.067 0.000 1.427 374 S HN 0.418 nan 8.310 nan 0.000 0.668 375 L N 1.957 123.236 121.223 0.094 0.000 2.410 375 L HA 0.520 4.875 4.340 0.024 0.000 0.273 375 L C 1.171 178.098 176.870 0.094 0.000 1.144 375 L CA 0.878 55.775 54.840 0.095 0.000 0.863 375 L CB 0.576 42.691 42.059 0.092 0.000 1.140 375 L HN 0.383 nan 8.230 nan 0.000 0.463 376 E N 3.738 124.006 120.200 0.113 0.000 2.434 376 E HA 0.114 4.478 4.350 0.024 0.000 0.207 376 E C -0.791 175.915 176.600 0.178 0.000 0.929 376 E CA 0.079 56.556 56.400 0.127 0.000 1.001 376 E CB 0.742 30.515 29.700 0.122 0.000 1.016 376 E HN 0.448 nan 8.360 nan 0.000 0.502 377 F N 1.649 121.591 119.950 -0.013 0.000 2.539 377 F HA 0.466 5.007 4.527 0.024 0.000 0.318 377 F C -1.584 174.193 175.800 -0.040 0.000 1.135 377 F CA -0.979 56.997 58.000 -0.040 0.000 0.915 377 F CB 1.445 40.354 39.000 -0.152 0.000 1.176 377 F HN -0.207 nan 8.300 nan 0.000 0.440 378 L N 6.771 127.841 121.223 -0.254 0.000 2.446 378 L HA 0.451 4.805 4.340 0.024 0.000 0.268 378 L C -1.908 174.845 176.870 -0.196 0.000 0.975 378 L CA -0.402 54.337 54.840 -0.169 0.000 0.848 378 L CB 1.105 42.999 42.059 -0.276 0.000 1.225 378 L HN 0.562 nan 8.230 nan 0.000 0.410 379 D N 5.379 125.755 120.400 -0.040 0.000 2.441 379 D HA 0.296 4.950 4.640 0.024 0.000 0.231 379 D C -0.505 175.889 176.300 0.156 0.000 1.073 379 D CA -0.204 53.827 54.000 0.051 0.000 0.850 379 D CB 1.710 42.600 40.800 0.151 0.000 1.062 379 D HN 0.453 nan 8.370 nan 0.000 0.524 380 L N 3.109 124.429 121.223 0.162 0.000 3.218 380 L HA 0.213 4.567 4.340 0.024 0.000 0.279 380 L C 0.298 177.349 176.870 0.302 0.000 1.287 380 L CA -0.214 54.823 54.840 0.329 0.000 1.024 380 L CB 0.022 42.305 42.059 0.374 0.000 1.409 380 L HN 0.288 nan 8.230 nan 0.000 0.580 381 S N -0.953 114.878 115.700 0.219 0.000 2.632 381 S HA 0.589 5.074 4.470 0.024 0.000 0.271 381 S C 0.717 175.449 174.600 0.221 0.000 1.260 381 S CA -0.637 57.702 58.200 0.232 0.000 1.010 381 S CB 1.036 64.374 63.200 0.231 0.000 0.965 381 S HN 0.364 nan 8.310 nan 0.000 0.534 382 R N 0.458 121.127 120.500 0.281 0.000 3.656 382 R HA -0.120 4.235 4.340 0.024 0.000 0.297 382 R C -0.377 176.020 176.300 0.163 0.000 1.166 382 R CA 0.761 56.975 56.100 0.190 0.000 0.799 382 R CB -2.396 27.908 30.300 0.008 0.000 1.285 382 R HN 0.730 nan 8.270 nan 0.000 0.477 383 N N -0.339 118.506 118.700 0.243 0.000 2.184 383 N HA 0.084 4.838 4.740 0.024 0.000 0.206 383 N C 1.168 176.837 175.510 0.265 0.000 1.151 383 N CA 0.916 54.116 53.050 0.250 0.000 0.878 383 N CB 1.280 39.994 38.487 0.379 0.000 1.014 383 N HN 0.487 nan 8.380 nan 0.000 0.512 384 G N 1.757 110.715 108.800 0.263 0.000 2.187 384 G HA2 -0.290 3.685 3.960 0.024 0.000 0.261 384 G HA3 -0.290 3.685 3.960 0.024 0.000 0.261 384 G C 0.106 175.160 174.900 0.256 0.000 1.000 384 G CA 0.275 45.518 45.100 0.238 0.000 0.718 384 G HN 0.267 nan 8.290 nan 0.000 0.519 385 L N 0.600 122.024 121.223 0.334 0.000 2.467 385 L HA 0.417 4.772 4.340 0.024 0.000 0.270 385 L C 0.855 177.907 176.870 0.303 0.000 1.205 385 L CA -0.177 54.839 54.840 0.294 0.000 0.828 385 L CB 0.901 43.147 42.059 0.312 0.000 1.101 385 L HN 0.155 nan 8.230 nan 0.000 0.479 386 S N 1.368 117.153 115.700 0.142 0.000 2.541 386 S HA 0.597 5.082 4.470 0.024 0.000 0.283 386 S C -0.684 173.953 174.600 0.061 0.000 1.196 386 S CA -0.393 57.905 58.200 0.163 0.000 1.062 386 S CB 0.867 64.113 63.200 0.076 0.000 1.009 386 S HN 0.281 nan 8.310 nan 0.000 0.502 387 F N 1.846 121.820 119.950 0.040 0.000 2.513 387 F HA 0.348 4.888 4.527 0.023 0.000 0.358 387 F C 0.785 176.578 175.800 -0.012 0.000 1.118 387 F CA -0.811 57.203 58.000 0.023 0.000 1.037 387 F CB 1.347 40.337 39.000 -0.016 0.000 1.276 387 F HN 0.427 nan 8.300 nan 0.000 0.446 388 K N 1.406 121.859 120.400 0.088 0.000 2.167 388 K HA 0.173 4.508 4.320 0.024 0.000 0.203 388 K C 0.958 177.558 176.600 -0.001 0.000 1.052 388 K CA 0.462 56.763 56.287 0.024 0.000 0.956 388 K CB 0.224 32.716 32.500 -0.013 0.000 0.735 388 K HN 0.581 nan 8.250 nan 0.000 0.451 389 G N -0.596 108.210 108.800 0.011 0.000 2.707 389 G HA2 0.533 4.507 3.960 0.024 0.000 0.299 389 G HA3 0.533 4.507 3.960 0.024 0.000 0.299 389 G C -1.539 173.338 174.900 -0.038 0.000 1.442 389 G CA -0.458 44.616 45.100 -0.044 0.000 1.009 389 G HN 0.138 nan 8.290 nan 0.000 0.515 390 C N 1.187 120.417 119.300 -0.116 0.000 3.082 390 C HA 0.758 5.232 4.460 0.024 0.000 0.324 390 C C -0.764 174.008 174.990 -0.364 0.000 1.210 390 C CA -0.463 58.449 59.018 -0.176 0.000 1.366 390 C CB 0.309 28.002 27.740 -0.078 0.000 1.756 390 C HN 0.976 nan 8.230 nan 0.000 0.485 391 C N 3.262 122.219 119.300 -0.572 0.000 2.535 391 C HA 0.951 5.425 4.460 0.024 0.000 0.319 391 C C -0.061 174.728 174.990 -0.334 0.000 1.171 391 C CA -0.386 58.384 59.018 -0.414 0.000 1.394 391 C CB 0.637 28.173 27.740 -0.340 0.000 1.990 391 C HN 1.114 nan 8.230 nan 0.000 0.466 392 S N 1.717 117.289 115.700 -0.212 0.000 2.688 392 S HA 0.474 4.958 4.470 0.024 0.000 0.275 392 S C 0.317 174.878 174.600 -0.064 0.000 1.175 392 S CA -0.480 57.664 58.200 -0.093 0.000 0.818 392 S CB 1.032 64.168 63.200 -0.106 0.000 1.157 392 S HN 0.662 nan 8.310 nan 0.000 0.482 393 Q N 1.552 121.366 119.800 0.024 0.000 2.135 393 Q HA -0.052 4.302 4.340 0.024 0.000 0.204 393 Q C 1.891 177.887 176.000 -0.006 0.000 0.981 393 Q CA 2.322 58.164 55.803 0.065 0.000 0.856 393 Q CB -1.348 27.435 28.738 0.075 0.000 0.902 393 Q HN 0.911 nan 8.270 nan 0.000 0.425 394 S N -0.074 115.590 115.700 -0.060 0.000 2.507 394 S HA -0.131 4.354 4.470 0.024 0.000 0.235 394 S C 1.141 175.671 174.600 -0.117 0.000 0.988 394 S CA 0.893 59.053 58.200 -0.067 0.000 0.944 394 S CB -0.207 62.953 63.200 -0.066 0.000 0.762 394 S HN 0.341 nan 8.310 nan 0.000 0.526 395 D N 0.771 121.014 120.400 -0.260 0.000 2.162 395 D HA 0.096 4.750 4.640 0.024 0.000 0.205 395 D C 1.073 177.222 176.300 -0.252 0.000 0.964 395 D CA 1.033 54.795 54.000 -0.397 0.000 0.847 395 D CB -0.161 40.047 40.800 -0.986 0.000 0.988 395 D HN 0.616 nan 8.370 nan 0.000 0.480 396 F N -0.524 119.528 119.950 0.170 0.000 2.724 396 F HA 0.272 4.813 4.527 0.023 0.000 0.306 396 F C 1.648 177.517 175.800 0.116 0.000 1.100 396 F CA -0.028 58.074 58.000 0.170 0.000 1.255 396 F CB 0.795 39.879 39.000 0.139 0.000 1.072 396 F HN -0.061 nan 8.300 nan 0.000 0.589 397 G N 1.717 110.642 108.800 0.209 0.000 2.160 397 G HA2 -0.245 3.729 3.960 0.024 0.000 0.251 397 G HA3 -0.245 3.729 3.960 0.024 0.000 0.251 397 G C 0.094 175.080 174.900 0.144 0.000 1.008 397 G CA 0.674 45.859 45.100 0.141 0.000 0.724 397 G HN 0.452 nan 8.290 nan 0.000 0.514 398 T N -1.973 112.690 114.554 0.181 0.000 2.900 398 T HA 0.667 5.031 4.350 0.024 0.000 0.303 398 T C 1.111 175.899 174.700 0.148 0.000 1.142 398 T CA 1.036 63.226 62.100 0.151 0.000 1.007 398 T CB 1.570 70.530 68.868 0.154 0.000 1.156 398 T HN 0.946 nan 8.240 nan 0.000 0.490 399 T N -0.481 114.142 114.554 0.115 0.000 3.010 399 T HA 0.228 4.593 4.350 0.024 0.000 0.257 399 T C 1.338 176.100 174.700 0.103 0.000 1.020 399 T CA 0.276 62.442 62.100 0.109 0.000 0.938 399 T CB 0.039 68.959 68.868 0.087 0.000 1.049 399 T HN 0.358 nan 8.240 nan 0.000 0.522 400 S N 1.072 116.831 115.700 0.098 0.000 2.593 400 S HA 0.372 4.857 4.470 0.024 0.000 0.217 400 S C 0.652 175.307 174.600 0.092 0.000 0.966 400 S CA -0.408 57.845 58.200 0.089 0.000 0.914 400 S CB -0.403 62.846 63.200 0.081 0.000 0.776 400 S HN 0.506 nan 8.310 nan 0.000 0.523 401 L N 2.094 123.375 121.223 0.096 0.000 2.628 401 L HA -0.017 4.337 4.340 0.024 0.000 0.274 401 L C 1.106 178.024 176.870 0.081 0.000 1.209 401 L CA 0.191 55.076 54.840 0.076 0.000 0.930 401 L CB 0.512 42.606 42.059 0.057 0.000 1.183 401 L HN 0.031 nan 8.230 nan 0.000 0.492 402 K N 3.037 123.491 120.400 0.090 0.000 2.399 402 K HA 0.141 4.476 4.320 0.024 0.000 0.196 402 K C -0.860 175.808 176.600 0.113 0.000 1.117 402 K CA 0.369 56.720 56.287 0.106 0.000 0.965 402 K CB 0.387 32.966 32.500 0.133 0.000 0.983 402 K HN 0.454 nan 8.250 nan 0.000 0.531 403 Y N 0.199 120.433 120.300 -0.110 0.000 2.386 403 Y HA 0.545 5.109 4.550 0.023 0.000 0.334 403 Y C -1.839 173.834 175.900 -0.378 0.000 1.002 403 Y CA -1.603 56.331 58.100 -0.277 0.000 1.068 403 Y CB 1.390 39.539 38.460 -0.518 0.000 1.203 403 Y HN -0.160 nan 8.280 nan 0.000 0.443 404 L N 6.796 127.780 121.223 -0.398 0.000 2.476 404 L HA 0.500 4.854 4.340 0.024 0.000 0.269 404 L C -2.055 174.548 176.870 -0.445 0.000 0.965 404 L CA -0.307 54.316 54.840 -0.363 0.000 0.845 404 L CB 1.765 43.658 42.059 -0.276 0.000 1.259 404 L HN 0.702 nan 8.230 nan 0.000 0.403 405 D N 5.103 125.294 120.400 -0.347 0.000 2.471 405 D HA 0.374 5.029 4.640 0.024 0.000 0.245 405 D C -0.380 175.815 176.300 -0.175 0.000 1.116 405 D CA -0.087 53.764 54.000 -0.248 0.000 0.853 405 D CB 1.160 41.900 40.800 -0.100 0.000 1.123 405 D HN 0.672 nan 8.370 nan 0.000 0.540 406 L N 2.672 123.735 121.223 -0.267 0.000 3.110 406 L HA 0.170 4.524 4.340 0.024 0.000 0.266 406 L C 0.828 177.685 176.870 -0.023 0.000 1.257 406 L CA -0.399 54.319 54.840 -0.203 0.000 1.038 406 L CB 0.212 42.011 42.059 -0.434 0.000 1.395 406 L HN 0.255 nan 8.230 nan 0.000 0.566 407 S N -1.036 114.696 115.700 0.053 0.000 2.589 407 S HA 0.279 4.763 4.470 0.024 0.000 0.265 407 S C 0.452 175.212 174.600 0.267 0.000 1.342 407 S CA -0.408 57.858 58.200 0.111 0.000 1.005 407 S CB 0.179 63.470 63.200 0.152 0.000 0.909 407 S HN 0.279 nan 8.310 nan 0.000 0.555 408 F N -0.461 119.598 119.950 0.181 0.000 3.067 408 F HA -0.196 4.330 4.527 -0.001 0.000 0.279 408 F C 0.447 176.346 175.800 0.165 0.000 0.945 408 F CA 0.515 58.608 58.000 0.156 0.000 0.948 408 F CB -2.158 36.892 39.000 0.084 0.000 0.898 408 F HN 0.600 nan 8.300 nan 0.000 0.746 409 N N -0.346 118.521 118.700 0.280 0.000 3.100 409 N HA 0.716 5.470 4.740 0.024 0.000 0.344 409 N C 0.925 176.577 175.510 0.237 0.000 1.413 409 N CA 0.013 53.235 53.050 0.286 0.000 0.752 409 N CB 0.586 39.275 38.487 0.337 0.000 1.519 409 N HN 0.154 nan 8.380 nan 0.000 0.620 410 G N -0.262 108.685 108.800 0.245 0.000 2.829 410 G HA2 0.297 4.272 3.960 0.024 0.000 0.173 410 G HA3 0.297 4.272 3.960 0.024 0.000 0.173 410 G C -0.561 174.423 174.900 0.140 0.000 1.476 410 G CA -0.202 45.002 45.100 0.174 0.000 1.072 410 G HN 0.255 nan 8.290 nan 0.000 0.577 411 V N 1.114 121.088 119.914 0.100 0.000 2.415 411 V HA 0.200 4.334 4.120 0.024 0.000 0.267 411 V C -0.070 176.087 176.094 0.105 0.000 1.042 411 V CA 0.334 62.663 62.300 0.049 0.000 1.000 411 V CB 0.268 32.095 31.823 0.006 0.000 1.015 411 V HN 0.295 nan 8.190 nan 0.000 0.478 412 I N 4.853 125.456 120.570 0.055 0.000 2.312 412 I HA 0.286 4.470 4.170 0.024 0.000 0.290 412 I C 0.372 176.466 176.117 -0.038 0.000 1.008 412 I CA 0.009 61.338 61.300 0.048 0.000 1.226 412 I CB 1.356 39.332 38.000 -0.040 0.000 1.371 412 I HN 0.485 nan 8.210 nan 0.000 0.468 413 T N 7.035 121.580 114.554 -0.015 0.000 2.743 413 T HA 0.412 4.777 4.350 0.024 0.000 0.292 413 T C 0.231 174.858 174.700 -0.122 0.000 0.972 413 T CA -0.655 61.401 62.100 -0.073 0.000 0.967 413 T CB 0.678 69.515 68.868 -0.052 0.000 0.926 413 T HN 0.277 nan 8.240 nan 0.000 0.459 414 M N 3.073 122.559 119.600 -0.189 0.000 2.233 414 M HA 0.279 4.774 4.480 0.024 0.000 0.350 414 M C 1.167 177.302 176.300 -0.275 0.000 1.176 414 M CA -0.091 55.054 55.300 -0.259 0.000 1.150 414 M CB 0.865 33.283 32.600 -0.302 0.000 1.530 414 M HN 0.841 nan 8.290 nan 0.000 0.459 415 S N -0.236 115.296 115.700 -0.280 0.000 2.761 415 S HA 0.125 4.610 4.470 0.024 0.000 0.273 415 S C 0.464 174.908 174.600 -0.260 0.000 1.073 415 S CA -0.278 57.763 58.200 -0.264 0.000 1.048 415 S CB 0.438 63.524 63.200 -0.189 0.000 0.955 415 S HN 0.619 nan 8.310 nan 0.000 0.500 416 S N 2.082 117.622 115.700 -0.267 0.000 2.478 416 S HA 0.508 4.993 4.470 0.024 0.000 0.312 416 S C -1.014 173.411 174.600 -0.292 0.000 1.094 416 S CA -0.697 57.363 58.200 -0.234 0.000 1.081 416 S CB 0.570 63.652 63.200 -0.197 0.000 1.007 416 S HN 0.330 nan 8.310 nan 0.000 0.475 417 N N 4.226 122.839 118.700 -0.145 0.000 3.254 417 N HA 0.145 4.899 4.740 0.024 0.000 0.308 417 N C -0.697 174.950 175.510 0.229 0.000 1.281 417 N CA -0.032 53.037 53.050 0.032 0.000 1.212 417 N CB -1.011 37.511 38.487 0.059 0.000 1.478 417 N HN 0.712 nan 8.380 nan 0.000 0.548 418 F N -1.631 118.316 119.950 -0.006 0.000 3.039 418 F HA -0.249 4.292 4.527 0.022 0.000 0.287 418 F C 0.306 176.139 175.800 0.054 0.000 0.956 418 F CA -0.227 57.806 58.000 0.055 0.000 0.971 418 F CB -1.817 37.240 39.000 0.095 0.000 0.943 418 F HN 0.232 nan 8.300 nan 0.000 0.766 419 L N 1.163 122.446 121.223 0.100 0.000 2.360 419 L HA 0.594 4.949 4.340 0.024 0.000 0.276 419 L C 1.238 178.159 176.870 0.086 0.000 1.121 419 L CA 1.177 56.064 54.840 0.078 0.000 0.845 419 L CB 1.050 43.123 42.059 0.023 0.000 1.143 419 L HN 0.579 nan 8.230 nan 0.000 0.452 420 G N 4.055 112.913 108.800 0.097 0.000 2.162 420 G HA2 -0.265 3.709 3.960 0.024 0.000 0.260 420 G HA3 -0.265 3.709 3.960 0.024 0.000 0.260 420 G C 0.302 175.286 174.900 0.139 0.000 0.976 420 G CA 0.481 45.642 45.100 0.101 0.000 0.655 420 G HN 0.611 nan 8.290 nan 0.000 0.533 421 L N -0.669 120.659 121.223 0.175 0.000 3.347 421 L HA 0.417 4.772 4.340 0.024 0.000 0.306 421 L C 1.173 178.153 176.870 0.183 0.000 1.301 421 L CA -0.395 54.568 54.840 0.205 0.000 0.985 421 L CB 0.823 43.056 42.059 0.291 0.000 1.400 421 L HN -0.029 nan 8.230 nan 0.000 0.601 422 E N 0.272 120.558 120.200 0.143 0.000 2.472 422 E HA -0.125 4.239 4.350 0.024 0.000 0.200 422 E C 1.483 178.137 176.600 0.089 0.000 1.046 422 E CA 0.725 57.194 56.400 0.114 0.000 0.871 422 E CB -0.052 29.707 29.700 0.098 0.000 0.806 422 E HN 0.526 nan 8.360 nan 0.000 0.533 423 Q N -0.074 119.781 119.800 0.091 0.000 2.360 423 Q HA 0.141 4.495 4.340 0.024 0.000 0.202 423 Q C 0.125 176.167 176.000 0.070 0.000 0.915 423 Q CA -0.145 55.704 55.803 0.076 0.000 0.943 423 Q CB 0.277 29.062 28.738 0.078 0.000 1.064 423 Q HN 0.299 nan 8.270 nan 0.000 0.511 424 L N 1.749 123.015 121.223 0.071 0.000 2.615 424 L HA -0.136 4.218 4.340 0.024 0.000 0.284 424 L C 1.120 178.008 176.870 0.030 0.000 1.237 424 L CA 0.898 55.766 54.840 0.047 0.000 0.905 424 L CB 0.287 42.364 42.059 0.029 0.000 1.149 424 L HN 0.270 nan 8.230 nan 0.000 0.499 425 E N 0.747 120.972 120.200 0.043 0.000 2.474 425 E HA 0.075 4.440 4.350 0.024 0.000 0.215 425 E C -0.132 176.502 176.600 0.055 0.000 0.867 425 E CA -0.029 56.401 56.400 0.050 0.000 1.135 425 E CB 0.793 30.542 29.700 0.082 0.000 1.147 425 E HN 0.454 nan 8.360 nan 0.000 0.534 426 H N 0.450 119.456 119.070 -0.108 0.000 2.667 426 H HA 0.486 5.055 4.556 0.023 0.000 0.353 426 H C -1.860 173.264 175.328 -0.340 0.000 1.072 426 H CA -0.737 55.169 56.048 -0.236 0.000 1.214 426 H CB 1.578 31.080 29.762 -0.433 0.000 1.600 426 H HN -0.015 nan 8.280 nan 0.000 0.527 427 L N 5.294 126.278 121.223 -0.398 0.000 2.470 427 L HA 0.375 4.730 4.340 0.024 0.000 0.268 427 L C -1.627 175.027 176.870 -0.361 0.000 0.964 427 L CA -0.319 54.320 54.840 -0.334 0.000 0.839 427 L CB 1.860 43.789 42.059 -0.218 0.000 1.276 427 L HN 0.659 nan 8.230 nan 0.000 0.403 428 D N 3.657 123.815 120.400 -0.402 0.000 2.788 428 D HA 0.350 5.005 4.640 0.024 0.000 0.247 428 D C -0.570 175.542 176.300 -0.314 0.000 1.236 428 D CA -0.018 53.854 54.000 -0.213 0.000 0.898 428 D CB 1.114 41.892 40.800 -0.036 0.000 1.401 428 D HN 0.457 nan 8.370 nan 0.000 0.549 429 F N 1.120 121.066 119.950 -0.006 0.000 2.706 429 F HA 0.093 4.632 4.527 0.020 0.000 0.313 429 F C 1.129 176.900 175.800 -0.048 0.000 1.096 429 F CA -0.571 57.418 58.000 -0.017 0.000 1.219 429 F CB 0.582 39.594 39.000 0.021 0.000 1.051 429 F HN 0.309 nan 8.300 nan 0.000 0.568 430 Q N 0.740 120.586 119.800 0.076 0.000 2.283 430 Q HA -0.107 4.247 4.340 0.024 0.000 0.301 430 Q C 0.180 176.070 176.000 -0.184 0.000 1.063 430 Q CA 0.722 56.505 55.803 -0.033 0.000 0.952 430 Q CB 0.035 28.778 28.738 0.007 0.000 1.166 430 Q HN 0.454 nan 8.270 nan 0.000 0.381 431 H N -0.307 118.651 119.070 -0.186 0.000 3.641 431 H HA -0.128 4.433 4.556 0.009 0.000 0.193 431 H C -0.787 174.521 175.328 -0.033 0.000 1.013 431 H CA 1.005 56.935 56.048 -0.196 0.000 1.212 431 H CB -1.353 28.043 29.762 -0.609 0.000 1.089 431 H HN 0.722 nan 8.280 nan 0.000 0.339 432 S N 1.162 116.921 115.700 0.098 0.000 2.554 432 S HA 0.190 4.674 4.470 0.024 0.000 0.278 432 S C 0.623 175.296 174.600 0.121 0.000 1.242 432 S CA -0.741 57.539 58.200 0.133 0.000 1.051 432 S CB 1.880 65.168 63.200 0.148 0.000 0.986 432 S HN 0.298 nan 8.310 nan 0.000 0.502 433 N N 2.725 121.457 118.700 0.053 0.000 2.399 433 N HA 0.152 4.906 4.740 0.024 0.000 0.259 433 N C -1.099 174.367 175.510 -0.074 0.000 1.160 433 N CA 0.075 53.072 53.050 -0.090 0.000 0.946 433 N CB -0.339 37.927 38.487 -0.368 0.000 1.156 433 N HN 0.512 nan 8.380 nan 0.000 0.489 434 L N 3.478 124.662 121.223 -0.064 0.000 2.292 434 L HA 0.385 4.739 4.340 0.024 0.000 0.284 434 L C 0.538 177.344 176.870 -0.106 0.000 1.065 434 L CA -0.552 54.206 54.840 -0.137 0.000 0.806 434 L CB 0.918 42.842 42.059 -0.225 0.000 1.175 434 L HN 0.265 nan 8.230 nan 0.000 0.431 435 K N 2.927 123.258 120.400 -0.115 0.000 2.267 435 K HA 0.318 4.653 4.320 0.024 0.000 0.246 435 K C -0.512 176.033 176.600 -0.092 0.000 0.954 435 K CA -0.794 55.443 56.287 -0.082 0.000 0.824 435 K CB 1.850 34.308 32.500 -0.071 0.000 1.167 435 K HN 0.405 nan 8.250 nan 0.000 0.431 436 Q N 0.901 120.680 119.800 -0.035 0.000 2.451 436 Q HA -0.240 4.115 4.340 0.024 0.000 0.305 436 Q C 0.301 176.291 176.000 -0.016 0.000 1.345 436 Q CA 0.800 56.605 55.803 0.003 0.000 0.854 436 Q CB -1.142 27.510 28.738 -0.144 0.000 1.162 436 Q HN 0.716 nan 8.270 nan 0.000 0.440 437 M N -1.534 118.084 119.600 0.031 0.000 2.971 437 M HA -0.035 4.459 4.480 0.024 0.000 0.238 437 M C 1.748 178.097 176.300 0.083 0.000 1.582 437 M CA 1.654 56.957 55.300 0.005 0.000 1.223 437 M CB 0.092 32.645 32.600 -0.079 0.000 1.238 437 M HN 0.229 nan 8.290 nan 0.000 0.568 438 S N 0.604 116.323 115.700 0.031 0.000 2.383 438 S HA -0.133 4.351 4.470 0.024 0.000 0.229 438 S C 1.156 175.746 174.600 -0.017 0.000 1.030 438 S CA 1.446 59.636 58.200 -0.017 0.000 1.002 438 S CB -0.778 62.387 63.200 -0.058 0.000 0.829 438 S HN 0.608 nan 8.310 nan 0.000 0.467 439 E N 0.264 120.400 120.200 -0.108 0.000 2.403 439 E HA 0.356 4.721 4.350 0.024 0.000 0.187 439 E C -0.800 175.191 176.600 -1.015 0.000 1.073 439 E CA -0.145 55.958 56.400 -0.495 0.000 0.888 439 E CB 0.017 29.362 29.700 -0.592 0.000 1.035 439 E HN 0.530 nan 8.360 nan 0.000 0.471 440 F N -1.148 118.673 119.950 -0.215 0.000 2.650 440 F HA 0.343 4.883 4.527 0.023 0.000 0.320 440 F C 0.235 176.072 175.800 0.062 0.000 1.091 440 F CA -1.182 56.708 58.000 -0.184 0.000 0.962 440 F CB 1.889 40.791 39.000 -0.164 0.000 1.363 440 F HN -0.405 nan 8.300 nan 0.000 0.482 441 S N 0.966 116.849 115.700 0.305 0.000 2.468 441 S HA 0.245 4.730 4.470 0.024 0.000 0.190 441 S C 0.670 175.347 174.600 0.129 0.000 1.445 441 S CA -0.479 57.876 58.200 0.258 0.000 1.084 441 S CB 0.472 63.841 63.200 0.281 0.000 1.175 441 S HN 0.522 nan 8.310 nan 0.000 0.484 442 V N -0.677 119.205 119.914 -0.053 0.000 3.406 442 V HA 0.253 4.387 4.120 0.024 0.000 0.263 442 V C 0.645 176.610 176.094 -0.216 0.000 1.172 442 V CA 0.892 63.070 62.300 -0.204 0.000 1.140 442 V CB -0.834 30.782 31.823 -0.346 0.000 0.784 442 V HN 0.638 nan 8.190 nan 0.000 0.467 443 F N -0.451 119.591 119.950 0.152 0.000 2.641 443 F HA 0.452 4.993 4.527 0.023 0.000 0.302 443 F C 1.583 177.420 175.800 0.062 0.000 1.098 443 F CA -0.262 57.755 58.000 0.028 0.000 1.318 443 F CB -0.007 38.998 39.000 0.008 0.000 1.035 443 F HN 0.100 nan 8.300 nan 0.000 0.551 444 L N -0.135 121.214 121.223 0.210 0.000 2.081 444 L HA -0.221 4.133 4.340 0.024 0.000 0.212 444 L C 2.179 179.131 176.870 0.137 0.000 1.080 444 L CA 1.801 56.742 54.840 0.168 0.000 0.754 444 L CB -0.620 41.522 42.059 0.138 0.000 0.893 444 L HN 0.038 nan 8.230 nan 0.000 0.433 445 S N -0.860 114.922 115.700 0.135 0.000 2.562 445 S HA 0.153 4.637 4.470 0.024 0.000 0.221 445 S C 0.644 175.305 174.600 0.102 0.000 0.975 445 S CA -0.123 58.146 58.200 0.116 0.000 0.918 445 S CB -0.101 63.173 63.200 0.125 0.000 0.772 445 S HN 0.085 nan 8.310 nan 0.000 0.531 446 L N 3.227 124.510 121.223 0.100 0.000 2.480 446 L HA 0.234 4.588 4.340 0.024 0.000 0.243 446 L C 1.502 178.401 176.870 0.049 0.000 1.315 446 L CA 0.307 55.182 54.840 0.058 0.000 1.231 446 L CB -0.745 41.320 42.059 0.009 0.000 1.444 446 L HN 0.353 nan 8.230 nan 0.000 0.409 447 R N -1.392 119.141 120.500 0.054 0.000 2.307 447 R HA 0.024 4.378 4.340 0.024 0.000 0.199 447 R C 0.494 176.814 176.300 0.034 0.000 1.000 447 R CA 0.628 56.756 56.100 0.046 0.000 1.023 447 R CB 0.006 30.336 30.300 0.051 0.000 0.908 447 R HN 0.225 nan 8.270 nan 0.000 0.473 448 N N 0.190 118.909 118.700 0.032 0.000 2.205 448 N HA 0.090 4.845 4.740 0.024 0.000 0.201 448 N C -0.648 174.872 175.510 0.016 0.000 1.128 448 N CA -0.280 52.787 53.050 0.029 0.000 0.867 448 N CB 0.446 38.957 38.487 0.040 0.000 0.996 448 N HN 0.043 nan 8.380 nan 0.000 0.503 449 L N 1.133 122.354 121.223 -0.004 0.000 2.513 449 L HA 0.105 4.459 4.340 0.024 0.000 0.272 449 L C 0.745 177.591 176.870 -0.039 0.000 1.187 449 L CA 0.782 55.600 54.840 -0.036 0.000 0.895 449 L CB 0.290 42.297 42.059 -0.087 0.000 1.147 449 L HN 0.183 nan 8.230 nan 0.000 0.483 450 I N 4.380 124.938 120.570 -0.019 0.000 4.032 450 I HA 0.087 4.272 4.170 0.024 0.000 0.313 450 I C -0.737 175.373 176.117 -0.011 0.000 1.272 450 I CA -0.159 61.139 61.300 -0.004 0.000 1.307 450 I CB 0.377 38.400 38.000 0.039 0.000 1.155 450 I HN 0.500 nan 8.210 nan 0.000 0.431 451 Y N 1.928 122.107 120.300 -0.201 0.000 2.346 451 Y HA 0.648 5.211 4.550 0.021 0.000 0.332 451 Y C -1.425 174.220 175.900 -0.425 0.000 0.985 451 Y CA -1.353 56.558 58.100 -0.315 0.000 1.112 451 Y CB 1.589 39.829 38.460 -0.365 0.000 1.170 451 Y HN -0.115 nan 8.280 nan 0.000 0.447 452 L N 6.717 127.647 121.223 -0.488 0.000 2.409 452 L HA 0.555 4.909 4.340 0.024 0.000 0.272 452 L C -1.856 174.737 176.870 -0.461 0.000 0.980 452 L CA -0.309 54.290 54.840 -0.403 0.000 0.826 452 L CB 1.745 43.542 42.059 -0.436 0.000 1.268 452 L HN 0.689 nan 8.230 nan 0.000 0.407 453 D N 5.034 125.283 120.400 -0.252 0.000 2.481 453 D HA 0.371 5.025 4.640 0.024 0.000 0.246 453 D C 0.000 176.315 176.300 0.024 0.000 1.109 453 D CA -0.228 53.683 54.000 -0.148 0.000 0.845 453 D CB 1.246 42.014 40.800 -0.055 0.000 1.160 453 D HN 0.621 nan 8.370 nan 0.000 0.534 454 I N 0.408 120.991 120.570 0.023 0.000 3.569 454 I HA 0.357 4.541 4.170 0.024 0.000 0.334 454 I C -0.238 175.870 176.117 -0.014 0.000 1.570 454 I CA -0.624 60.729 61.300 0.088 0.000 1.082 454 I CB 0.536 38.624 38.000 0.148 0.000 1.323 454 I HN -0.062 nan 8.210 nan 0.000 0.489 455 S N 1.829 117.486 115.700 -0.072 0.000 2.562 455 S HA 0.114 4.599 4.470 0.024 0.000 0.281 455 S C 0.481 174.905 174.600 -0.293 0.000 1.333 455 S CA 0.133 58.192 58.200 -0.235 0.000 1.052 455 S CB -0.182 62.910 63.200 -0.180 0.000 0.884 455 S HN 0.591 nan 8.310 nan 0.000 0.506 456 H N 0.159 119.066 119.070 -0.272 0.000 2.604 456 H HA -0.129 4.463 4.556 0.061 0.000 0.321 456 H C 0.791 175.962 175.328 -0.262 0.000 1.132 456 H CA 1.023 56.835 56.048 -0.393 0.000 1.129 456 H CB -2.451 26.807 29.762 -0.839 0.000 1.526 456 H HN 0.785 nan 8.280 nan 0.000 0.415 457 T N -3.811 110.708 114.554 -0.058 0.000 3.215 457 T HA 0.229 4.594 4.350 0.024 0.000 0.271 457 T C 0.332 175.150 174.700 0.196 0.000 1.012 457 T CA -0.132 62.016 62.100 0.080 0.000 0.899 457 T CB 0.043 68.927 68.868 0.028 0.000 1.089 457 T HN 0.603 nan 8.240 nan 0.000 0.552 458 H N 0.139 119.179 119.070 -0.050 0.000 2.791 458 H HA -0.125 4.447 4.556 0.027 0.000 0.302 458 H C -0.182 175.105 175.328 -0.069 0.000 1.198 458 H CA 0.928 56.949 56.048 -0.044 0.000 1.145 458 H CB -2.660 27.088 29.762 -0.024 0.000 1.385 458 H HN 0.392 nan 8.280 nan 0.000 0.409 459 T N 0.636 115.177 114.554 -0.022 0.000 2.806 459 T HA 0.441 4.805 4.350 0.024 0.000 0.290 459 T C 0.631 175.243 174.700 -0.146 0.000 0.966 459 T CA -0.679 61.375 62.100 -0.076 0.000 1.060 459 T CB 1.089 69.905 68.868 -0.087 0.000 0.927 459 T HN 0.312 nan 8.240 nan 0.000 0.485 460 R N 3.506 123.924 120.500 -0.137 0.000 2.358 460 R HA 0.489 4.844 4.340 0.024 0.000 0.309 460 R C -1.230 174.958 176.300 -0.187 0.000 1.026 460 R CA -0.441 55.560 56.100 -0.165 0.000 0.909 460 R CB 0.313 30.565 30.300 -0.080 0.000 1.153 460 R HN 0.439 nan 8.270 nan 0.000 0.515 461 V N 4.472 124.187 119.914 -0.330 0.000 2.614 461 V HA 0.516 4.650 4.120 0.024 0.000 0.291 461 V C 0.643 176.698 176.094 -0.065 0.000 1.049 461 V CA 0.893 63.039 62.300 -0.257 0.000 1.038 461 V CB 0.967 32.522 31.823 -0.448 0.000 0.980 461 V HN 1.025 nan 8.190 nan 0.000 0.481 462 A N 4.404 127.215 122.820 -0.016 0.000 1.749 462 A HA 0.352 4.686 4.320 0.024 0.000 0.187 462 A C 0.394 178.011 177.584 0.056 0.000 1.742 462 A CA -0.125 51.937 52.037 0.041 0.000 1.133 462 A CB -0.251 18.766 19.000 0.028 0.000 0.996 462 A HN 0.591 nan 8.150 nan 0.000 0.585 463 F N 3.144 123.028 119.950 -0.110 0.000 2.571 463 F HA 0.137 4.677 4.527 0.023 0.000 0.390 463 F C 0.700 176.427 175.800 -0.122 0.000 1.043 463 F CA -0.317 57.609 58.000 -0.122 0.000 1.164 463 F CB 0.216 39.117 39.000 -0.166 0.000 1.049 463 F HN 0.254 nan 8.300 nan 0.000 0.552 464 N N 3.678 122.049 118.700 -0.548 0.000 2.585 464 N HA -0.054 4.700 4.740 0.024 0.000 0.188 464 N C 1.874 177.017 175.510 -0.612 0.000 1.102 464 N CA 1.024 53.786 53.050 -0.480 0.000 0.920 464 N CB -0.121 38.170 38.487 -0.325 0.000 0.963 464 N HN 0.759 nan 8.380 nan 0.000 0.447 465 G N -0.175 107.926 108.800 -1.164 0.000 3.042 465 G HA2 0.004 3.978 3.960 0.024 0.000 0.212 465 G HA3 0.004 3.978 3.960 0.024 0.000 0.212 465 G C 1.348 176.126 174.900 -0.204 0.000 1.166 465 G CA -0.370 44.294 45.100 -0.728 0.000 0.767 465 G HN 0.303 nan 8.290 nan 0.000 0.546 466 I N -0.367 120.073 120.570 -0.217 0.000 2.147 466 I HA -0.257 3.928 4.170 0.024 0.000 0.245 466 I C 1.478 177.501 176.117 -0.156 0.000 1.059 466 I CA 1.560 62.738 61.300 -0.204 0.000 1.320 466 I CB 0.037 37.710 38.000 -0.544 0.000 1.021 466 I HN 0.254 nan 8.210 nan 0.000 0.415 467 F N 0.559 120.580 119.950 0.119 0.000 2.639 467 F HA 0.232 4.772 4.527 0.022 0.000 0.300 467 F C 0.644 176.504 175.800 0.100 0.000 1.109 467 F CA -0.755 57.312 58.000 0.111 0.000 1.335 467 F CB -0.457 38.558 39.000 0.024 0.000 1.014 467 F HN 0.008 nan 8.300 nan 0.000 0.537 468 N N 0.727 119.564 118.700 0.229 0.000 2.454 468 N HA 0.285 5.040 4.740 0.024 0.000 0.260 468 N C 1.066 176.690 175.510 0.190 0.000 1.218 468 N CA 0.896 54.045 53.050 0.164 0.000 0.904 468 N CB 0.582 39.137 38.487 0.113 0.000 1.065 468 N HN 0.421 nan 8.380 nan 0.000 0.462 469 G N 1.527 110.412 108.800 0.141 0.000 2.201 469 G HA2 -0.232 3.742 3.960 0.024 0.000 0.212 469 G HA3 -0.232 3.742 3.960 0.024 0.000 0.212 469 G C 0.264 175.224 174.900 0.100 0.000 0.994 469 G CA -0.532 44.642 45.100 0.123 0.000 0.644 469 G HN 0.467 nan 8.290 nan 0.000 0.508 470 L N 3.035 124.315 121.223 0.095 0.000 2.934 470 L HA 0.277 4.632 4.340 0.024 0.000 0.233 470 L C 2.136 179.018 176.870 0.020 0.000 1.358 470 L CA 0.407 55.268 54.840 0.034 0.000 1.233 470 L CB 0.269 42.317 42.059 -0.018 0.000 1.594 470 L HN 0.358 nan 8.230 nan 0.000 0.439 471 S N -1.976 113.745 115.700 0.034 0.000 2.453 471 S HA -0.126 4.359 4.470 0.024 0.000 0.231 471 S C 1.726 176.337 174.600 0.017 0.000 1.005 471 S CA 0.796 59.014 58.200 0.031 0.000 0.949 471 S CB -0.101 63.121 63.200 0.038 0.000 0.774 471 S HN 0.586 nan 8.310 nan 0.000 0.510 472 S N 0.192 115.898 115.700 0.010 0.000 2.572 472 S HA 0.370 4.854 4.470 0.024 0.000 0.228 472 S C 0.109 174.700 174.600 -0.015 0.000 0.963 472 S CA -0.736 57.466 58.200 0.004 0.000 0.939 472 S CB -0.539 62.669 63.200 0.014 0.000 0.804 472 S HN 0.379 nan 8.310 nan 0.000 0.480 473 L N 2.009 123.209 121.223 -0.038 0.000 2.416 473 L HA 0.348 4.703 4.340 0.024 0.000 0.272 473 L C 0.867 177.696 176.870 -0.068 0.000 1.161 473 L CA 0.714 55.507 54.840 -0.080 0.000 0.845 473 L CB 0.731 42.705 42.059 -0.142 0.000 1.119 473 L HN 0.227 nan 8.230 nan 0.000 0.464 474 E N 2.545 122.704 120.200 -0.069 0.000 2.367 474 E HA 0.155 4.519 4.350 0.024 0.000 0.204 474 E C -0.633 175.923 176.600 -0.072 0.000 0.840 474 E CA 0.048 56.421 56.400 -0.046 0.000 1.051 474 E CB 0.705 30.402 29.700 -0.005 0.000 1.051 474 E HN 0.403 nan 8.360 nan 0.000 0.509 475 V N 2.841 122.664 119.914 -0.151 0.000 2.347 475 V HA 0.312 4.446 4.120 0.024 0.000 0.280 475 V C -0.921 174.922 176.094 -0.419 0.000 1.021 475 V CA -0.709 61.421 62.300 -0.283 0.000 0.847 475 V CB 1.456 32.994 31.823 -0.476 0.000 0.990 475 V HN 0.088 nan 8.190 nan 0.000 0.444 476 L N 6.033 127.086 121.223 -0.282 0.000 2.372 476 L HA 0.601 4.955 4.340 0.024 0.000 0.273 476 L C -0.471 176.274 176.870 -0.209 0.000 0.989 476 L CA -0.368 54.271 54.840 -0.335 0.000 0.841 476 L CB 1.373 43.215 42.059 -0.362 0.000 1.225 476 L HN 0.543 nan 8.230 nan 0.000 0.414 477 K N 6.553 126.802 120.400 -0.252 0.000 2.265 477 K HA 0.565 4.900 4.320 0.024 0.000 0.267 477 K C 0.025 176.565 176.600 -0.099 0.000 0.994 477 K CA -0.231 55.978 56.287 -0.129 0.000 0.860 477 K CB 1.410 33.819 32.500 -0.152 0.000 1.099 477 K HN 0.796 nan 8.250 nan 0.000 0.448 478 M N 0.378 119.949 119.600 -0.049 0.000 3.262 478 M HA 0.383 4.877 4.480 0.024 0.000 0.450 478 M C -0.262 175.994 176.300 -0.074 0.000 1.524 478 M CA -0.640 54.648 55.300 -0.020 0.000 0.770 478 M CB 1.065 33.733 32.600 0.113 0.000 1.459 478 M HN 0.362 nan 8.290 nan 0.000 0.517 479 A N 0.965 123.696 122.820 -0.150 0.000 2.507 479 A HA 0.518 4.852 4.320 0.024 0.000 0.235 479 A C 1.547 178.822 177.584 -0.514 0.000 1.070 479 A CA 1.041 52.935 52.037 -0.237 0.000 0.768 479 A CB -0.556 18.322 19.000 -0.202 0.000 1.011 479 A HN 1.550 nan 8.150 nan 0.000 0.502 480 G N 0.881 109.445 108.800 -0.393 0.000 2.168 480 G HA2 -0.254 3.720 3.960 0.024 0.000 0.263 480 G HA3 -0.254 3.720 3.960 0.024 0.000 0.263 480 G C 0.324 175.076 174.900 -0.248 0.000 0.977 480 G CA 0.526 45.384 45.100 -0.403 0.000 0.659 480 G HN 0.835 nan 8.290 nan 0.000 0.533 481 N N 0.081 118.659 118.700 -0.203 0.000 2.547 481 N HA 0.724 5.478 4.740 0.024 0.000 0.301 481 N C 0.571 176.011 175.510 -0.117 0.000 1.328 481 N CA 0.549 53.495 53.050 -0.173 0.000 0.932 481 N CB 1.031 39.392 38.487 -0.212 0.000 1.104 481 N HN 0.868 nan 8.380 nan 0.000 0.548 482 S N -1.130 114.444 115.700 -0.209 0.000 2.625 482 S HA 0.723 5.207 4.470 0.024 0.000 0.271 482 S C -1.650 172.744 174.600 -0.343 0.000 1.161 482 S CA -0.815 57.325 58.200 -0.100 0.000 0.820 482 S CB 1.012 64.201 63.200 -0.017 0.000 1.137 482 S HN 0.289 nan 8.310 nan 0.000 0.470 483 F N 0.931 120.881 119.950 0.001 0.000 2.563 483 F HA 0.535 5.075 4.527 0.022 0.000 0.316 483 F C 0.290 176.106 175.800 0.025 0.000 1.076 483 F CA -0.697 57.308 58.000 0.008 0.000 0.921 483 F CB 2.060 41.062 39.000 0.003 0.000 1.209 483 F HN 0.814 nan 8.300 nan 0.000 0.462 484 Q N 1.915 121.823 119.800 0.181 0.000 2.247 484 Q HA 0.043 4.398 4.340 0.024 0.000 0.288 484 Q C 0.073 176.169 176.000 0.160 0.000 1.079 484 Q CA 0.644 56.521 55.803 0.123 0.000 0.932 484 Q CB 0.251 29.041 28.738 0.087 0.000 1.133 484 Q HN 0.713 nan 8.270 nan 0.000 0.377 485 E N 3.202 123.467 120.200 0.108 0.000 3.286 485 E HA -0.329 4.035 4.350 0.024 0.000 0.292 485 E C -0.747 175.935 176.600 0.137 0.000 0.928 485 E CA 1.269 57.725 56.400 0.093 0.000 0.982 485 E CB -1.685 28.045 29.700 0.050 0.000 1.500 485 E HN 1.087 nan 8.360 nan 0.000 0.441 486 N N -1.679 117.123 118.700 0.169 0.000 2.725 486 N HA -0.270 4.485 4.740 0.024 0.000 0.249 486 N C -0.559 175.029 175.510 0.131 0.000 1.103 486 N CA 0.832 53.976 53.050 0.156 0.000 0.707 486 N CB -1.028 37.512 38.487 0.089 0.000 1.043 486 N HN 0.360 nan 8.380 nan 0.000 0.553 487 F N 0.962 120.905 119.950 -0.010 0.000 2.482 487 F HA 0.559 5.100 4.527 0.024 0.000 0.331 487 F C -0.374 175.302 175.800 -0.208 0.000 1.115 487 F CA -1.289 56.650 58.000 -0.102 0.000 0.955 487 F CB 0.953 39.917 39.000 -0.060 0.000 1.136 487 F HN -0.022 nan 8.300 nan 0.000 0.452 488 L N 9.387 129.959 121.223 -1.086 0.000 2.259 488 L HA 0.603 4.958 4.340 0.024 0.000 0.288 488 L C -2.632 173.616 176.870 -1.037 0.000 1.051 488 L CA -1.691 52.535 54.840 -1.023 0.000 0.824 488 L CB 0.306 41.838 42.059 -0.879 0.000 1.206 488 L HN 0.392 nan 8.230 nan 0.000 0.429 489 P HA 0.247 nan 4.420 nan 0.000 0.293 489 P C -1.230 175.879 177.300 -0.317 0.000 1.304 489 P CA -0.435 62.490 63.100 -0.292 0.000 0.767 489 P CB 0.549 32.246 31.700 -0.004 0.000 1.247 490 D N 0.450 120.725 120.400 -0.209 0.000 2.551 490 D HA 0.102 4.757 4.640 0.024 0.000 0.223 490 D C 0.873 177.026 176.300 -0.244 0.000 1.144 490 D CA 0.210 54.086 54.000 -0.206 0.000 1.025 490 D CB -0.803 39.926 40.800 -0.119 0.000 1.085 490 D HN 0.353 nan 8.370 nan 0.000 0.506 491 I N -3.097 117.202 120.570 -0.450 0.000 3.956 491 I HA 0.198 4.383 4.170 0.024 0.000 0.333 491 I C 0.034 175.920 176.117 -0.385 0.000 1.302 491 I CA -0.101 60.934 61.300 -0.443 0.000 1.122 491 I CB -0.009 37.727 38.000 -0.438 0.000 1.013 491 I HN -0.171 nan 8.210 nan 0.000 0.405 492 F N 0.491 120.494 119.950 0.089 0.000 2.668 492 F HA 0.303 4.844 4.527 0.022 0.000 0.301 492 F C 2.171 178.000 175.800 0.048 0.000 1.106 492 F CA -0.233 57.817 58.000 0.082 0.000 1.289 492 F CB -0.501 38.556 39.000 0.094 0.000 1.006 492 F HN -0.007 nan 8.300 nan 0.000 0.535 493 T N 0.995 115.622 114.554 0.122 0.000 2.652 493 T HA -0.239 4.125 4.350 0.024 0.000 0.267 493 T C 1.709 176.459 174.700 0.083 0.000 1.039 493 T CA 2.300 64.447 62.100 0.079 0.000 1.153 493 T CB -0.138 68.742 68.868 0.019 0.000 0.863 493 T HN 0.571 nan 8.240 nan 0.000 0.428 494 E N 0.623 120.871 120.200 0.080 0.000 2.445 494 E HA 0.131 4.496 4.350 0.024 0.000 0.189 494 E C 0.592 177.237 176.600 0.074 0.000 1.069 494 E CA -0.063 56.379 56.400 0.070 0.000 0.871 494 E CB -0.310 29.426 29.700 0.060 0.000 0.991 494 E HN 0.508 nan 8.360 nan 0.000 0.481 495 L N 1.607 122.887 121.223 0.096 0.000 2.990 495 L HA 0.350 4.704 4.340 0.024 0.000 0.231 495 L C 0.948 177.845 176.870 0.046 0.000 1.341 495 L CA -0.498 54.382 54.840 0.066 0.000 1.208 495 L CB -0.064 42.045 42.059 0.083 0.000 1.571 495 L HN -0.021 nan 8.230 nan 0.000 0.453 496 R N 0.012 120.537 120.500 0.042 0.000 2.152 496 R HA -0.097 4.257 4.340 0.024 0.000 0.232 496 R C 1.537 177.849 176.300 0.020 0.000 1.117 496 R CA 0.939 57.060 56.100 0.034 0.000 0.981 496 R CB -0.226 30.095 30.300 0.035 0.000 0.870 496 R HN 0.384 nan 8.270 nan 0.000 0.451 497 N N 0.028 118.735 118.700 0.011 0.000 2.467 497 N HA 0.020 4.774 4.740 0.024 0.000 0.184 497 N C -0.203 175.301 175.510 -0.009 0.000 1.106 497 N CA 0.189 53.242 53.050 0.004 0.000 0.892 497 N CB 0.085 38.575 38.487 0.004 0.000 0.969 497 N HN 0.157 nan 8.380 nan 0.000 0.454 498 L N 1.102 122.311 121.223 -0.024 0.000 2.640 498 L HA -0.103 4.251 4.340 0.024 0.000 0.280 498 L C 1.551 178.400 176.870 -0.035 0.000 1.229 498 L CA 0.525 55.334 54.840 -0.051 0.000 0.919 498 L CB 0.517 42.520 42.059 -0.094 0.000 1.168 498 L HN 0.286 nan 8.230 nan 0.000 0.496 499 T N 0.534 115.082 114.554 -0.010 0.000 2.964 499 T HA 0.152 4.517 4.350 0.024 0.000 0.249 499 T C -0.005 174.732 174.700 0.061 0.000 1.000 499 T CA -0.175 61.941 62.100 0.026 0.000 0.992 499 T CB 0.235 69.140 68.868 0.061 0.000 1.087 499 T HN 0.255 nan 8.240 nan 0.000 0.489 500 F N 1.264 121.137 119.950 -0.128 0.000 2.557 500 F HA 0.705 5.244 4.527 0.020 0.000 0.316 500 F C -2.024 173.646 175.800 -0.217 0.000 1.141 500 F CA -1.552 56.363 58.000 -0.141 0.000 0.922 500 F CB 2.119 41.048 39.000 -0.118 0.000 1.194 500 F HN 0.093 nan 8.300 nan 0.000 0.443 501 L N 6.149 127.156 121.223 -0.361 0.000 2.476 501 L HA 0.463 4.817 4.340 0.024 0.000 0.269 501 L C -1.984 174.666 176.870 -0.367 0.000 0.965 501 L CA -0.253 54.402 54.840 -0.310 0.000 0.845 501 L CB 1.665 43.469 42.059 -0.425 0.000 1.259 501 L HN 0.601 nan 8.230 nan 0.000 0.403 502 D N 4.787 125.073 120.400 -0.189 0.000 2.453 502 D HA 0.387 5.041 4.640 0.024 0.000 0.238 502 D C -0.319 175.938 176.300 -0.072 0.000 1.088 502 D CA -0.057 53.846 54.000 -0.162 0.000 0.854 502 D CB 0.961 41.721 40.800 -0.066 0.000 1.076 502 D HN 0.628 nan 8.370 nan 0.000 0.533 503 L N 2.619 123.808 121.223 -0.055 0.000 2.965 503 L HA 0.204 4.558 4.340 0.024 0.000 0.254 503 L C 0.739 177.617 176.870 0.014 0.000 1.220 503 L CA -0.414 54.453 54.840 0.046 0.000 1.023 503 L CB 0.080 42.198 42.059 0.098 0.000 1.355 503 L HN 0.313 nan 8.230 nan 0.000 0.545 504 S N -0.492 115.178 115.700 -0.051 0.000 2.579 504 S HA 0.104 4.589 4.470 0.024 0.000 0.275 504 S C 0.614 175.197 174.600 -0.029 0.000 1.345 504 S CA -0.387 57.780 58.200 -0.055 0.000 1.031 504 S CB 0.748 63.888 63.200 -0.102 0.000 0.892 504 S HN 0.484 nan 8.310 nan 0.000 0.529 505 Q N -0.924 118.871 119.800 -0.009 0.000 2.457 505 Q HA -0.195 4.160 4.340 0.024 0.000 0.283 505 Q C 0.013 176.022 176.000 0.015 0.000 1.234 505 Q CA 0.719 56.528 55.803 0.010 0.000 0.877 505 Q CB -2.744 26.018 28.738 0.039 0.000 1.250 505 Q HN 0.772 nan 8.270 nan 0.000 0.481 506 C N -0.089 119.244 119.300 0.054 0.000 2.780 506 C HA 0.089 4.564 4.460 0.024 0.000 0.287 506 C C 1.033 176.114 174.990 0.151 0.000 1.288 506 C CA 0.247 59.345 59.018 0.135 0.000 1.713 506 C CB -0.462 27.471 27.740 0.322 0.000 1.955 506 C HN 0.660 nan 8.230 nan 0.000 0.613 507 Q N -0.217 119.625 119.800 0.071 0.000 2.457 507 Q HA -0.208 4.147 4.340 0.024 0.000 0.283 507 Q C -0.303 175.729 176.000 0.053 0.000 1.234 507 Q CA 0.443 56.276 55.803 0.051 0.000 0.877 507 Q CB -1.400 27.371 28.738 0.056 0.000 1.250 507 Q HN 0.691 nan 8.270 nan 0.000 0.481 508 L N 0.240 121.476 121.223 0.021 0.000 2.380 508 L HA 0.041 4.395 4.340 0.024 0.000 0.273 508 L C 1.383 178.220 176.870 -0.056 0.000 1.138 508 L CA 0.588 55.404 54.840 -0.040 0.000 0.832 508 L CB 0.679 42.660 42.059 -0.129 0.000 1.124 508 L HN 0.230 nan 8.230 nan 0.000 0.454 509 E N 0.762 120.942 120.200 -0.035 0.000 2.421 509 E HA 0.125 4.489 4.350 0.024 0.000 0.209 509 E C -0.306 176.290 176.600 -0.007 0.000 0.871 509 E CA 0.045 56.431 56.400 -0.025 0.000 1.064 509 E CB 0.873 30.577 29.700 0.007 0.000 1.075 509 E HN 0.420 nan 8.360 nan 0.000 0.513 510 Q N 0.497 120.303 119.800 0.010 0.000 2.309 510 Q HA 0.425 4.780 4.340 0.024 0.000 0.273 510 Q C -1.299 174.616 176.000 -0.141 0.000 1.040 510 Q CA -0.337 55.495 55.803 0.048 0.000 0.834 510 Q CB 2.382 31.270 28.738 0.250 0.000 1.345 510 Q HN 0.088 nan 8.270 nan 0.000 0.414 511 L N 0.571 121.679 121.223 -0.191 0.000 2.331 511 L HA 0.556 4.911 4.340 0.024 0.000 0.275 511 L C 0.641 177.246 176.870 -0.441 0.000 1.022 511 L CA -0.869 53.714 54.840 -0.428 0.000 0.812 511 L CB 1.773 43.647 42.059 -0.308 0.000 1.257 511 L HN 0.520 nan 8.230 nan 0.000 0.435 512 S N 1.821 117.109 115.700 -0.687 0.000 2.549 512 S HA 0.207 4.692 4.470 0.024 0.000 0.279 512 S C -1.669 172.745 174.600 -0.311 0.000 1.321 512 S CA -1.005 56.995 58.200 -0.333 0.000 1.054 512 S CB 1.022 64.038 63.200 -0.306 0.000 0.899 512 S HN 0.399 nan 8.310 nan 0.000 0.497 513 P HA -0.012 nan 4.420 nan 0.000 0.220 513 P C 0.937 178.097 177.300 -0.233 0.000 1.148 513 P CA 1.037 64.008 63.100 -0.215 0.000 0.803 513 P CB -0.103 31.512 31.700 -0.142 0.000 0.782 514 T N -4.628 109.808 114.554 -0.196 0.000 3.186 514 T HA 0.469 4.834 4.350 0.024 0.000 0.257 514 T C 1.564 176.149 174.700 -0.192 0.000 1.029 514 T CA 0.213 62.220 62.100 -0.156 0.000 0.916 514 T CB -0.462 68.351 68.868 -0.092 0.000 1.041 514 T HN -0.060 nan 8.240 nan 0.000 0.562 515 A N 1.456 124.053 122.820 -0.372 0.000 1.933 515 A HA 0.168 4.502 4.320 0.024 0.000 0.218 515 A C 1.409 178.864 177.584 -0.216 0.000 1.175 515 A CA 0.841 52.617 52.037 -0.434 0.000 0.628 515 A CB -0.823 17.696 19.000 -0.803 0.000 0.814 515 A HN 0.675 nan 8.150 nan 0.000 0.444 516 F N -1.141 118.822 119.950 0.021 0.000 2.639 516 F HA 0.180 4.721 4.527 0.023 0.000 0.302 516 F C 1.641 177.447 175.800 0.011 0.000 1.097 516 F CA -0.581 57.428 58.000 0.015 0.000 1.294 516 F CB 0.048 39.032 39.000 -0.027 0.000 1.027 516 F HN 0.052 nan 8.300 nan 0.000 0.550 517 N N 0.854 119.622 118.700 0.114 0.000 2.149 517 N HA -0.181 4.574 4.740 0.024 0.000 0.188 517 N C 2.107 177.665 175.510 0.081 0.000 1.019 517 N CA 1.881 54.974 53.050 0.071 0.000 0.857 517 N CB -0.222 38.276 38.487 0.019 0.000 0.997 517 N HN 0.280 nan 8.380 nan 0.000 0.426 518 S N -0.470 115.287 115.700 0.094 0.000 2.528 518 S HA 0.105 4.589 4.470 0.024 0.000 0.219 518 S C 1.071 175.717 174.600 0.077 0.000 0.985 518 S CA -0.094 58.154 58.200 0.080 0.000 0.914 518 S CB -0.251 62.997 63.200 0.080 0.000 0.776 518 S HN 0.199 nan 8.310 nan 0.000 0.526 519 L N 2.997 124.277 121.223 0.094 0.000 2.803 519 L HA 0.242 4.597 4.340 0.024 0.000 0.241 519 L C 1.879 178.769 176.870 0.035 0.000 1.404 519 L CA -0.092 54.777 54.840 0.050 0.000 1.211 519 L CB -0.640 41.432 42.059 0.022 0.000 1.585 519 L HN 0.375 nan 8.230 nan 0.000 0.430 520 S N -0.426 115.298 115.700 0.041 0.000 2.507 520 S HA -0.090 4.395 4.470 0.024 0.000 0.235 520 S C 1.574 176.190 174.600 0.027 0.000 0.988 520 S CA 1.210 59.434 58.200 0.039 0.000 0.944 520 S CB 0.149 63.372 63.200 0.038 0.000 0.762 520 S HN 0.573 nan 8.310 nan 0.000 0.526 521 S N 0.556 116.265 115.700 0.015 0.000 2.578 521 S HA 0.369 4.853 4.470 0.024 0.000 0.231 521 S C -0.269 174.328 174.600 -0.004 0.000 0.994 521 S CA -0.533 57.673 58.200 0.010 0.000 0.956 521 S CB 0.231 63.439 63.200 0.012 0.000 0.870 521 S HN 0.411 nan 8.310 nan 0.000 0.494 522 L N 2.643 123.852 121.223 -0.022 0.000 2.418 522 L HA 0.230 4.584 4.340 0.024 0.000 0.274 522 L C 0.899 177.740 176.870 -0.048 0.000 1.135 522 L CA 0.796 55.600 54.840 -0.060 0.000 0.870 522 L CB 0.656 42.643 42.059 -0.121 0.000 1.154 522 L HN 0.119 nan 8.230 nan 0.000 0.462 523 Q N 2.853 122.630 119.800 -0.038 0.000 2.423 523 Q HA 0.261 4.616 4.340 0.024 0.000 0.231 523 Q C -0.640 175.332 176.000 -0.047 0.000 0.894 523 Q CA 0.172 55.963 55.803 -0.019 0.000 0.938 523 Q CB 0.940 29.692 28.738 0.025 0.000 1.079 523 Q HN 0.481 nan 8.270 nan 0.000 0.552 524 V N 1.786 121.635 119.914 -0.108 0.000 2.483 524 V HA 0.379 4.513 4.120 0.024 0.000 0.297 524 V C -1.366 174.532 176.094 -0.327 0.000 1.027 524 V CA -0.756 61.430 62.300 -0.191 0.000 0.855 524 V CB 1.941 33.551 31.823 -0.354 0.000 0.995 524 V HN 0.082 nan 8.190 nan 0.000 0.424 525 L N 5.048 126.142 121.223 -0.215 0.000 2.406 525 L HA 0.647 5.001 4.340 0.024 0.000 0.270 525 L C -0.677 176.136 176.870 -0.095 0.000 0.982 525 L CA -0.094 54.581 54.840 -0.275 0.000 0.843 525 L CB 1.666 43.512 42.059 -0.355 0.000 1.225 525 L HN 0.638 nan 8.230 nan 0.000 0.412 526 N N 5.726 124.315 118.700 -0.184 0.000 2.469 526 N HA 0.418 5.172 4.740 0.024 0.000 0.253 526 N C -0.440 175.024 175.510 -0.077 0.000 0.970 526 N CA -0.204 52.785 53.050 -0.100 0.000 0.940 526 N CB 1.029 39.259 38.487 -0.428 0.000 1.128 526 N HN 0.740 nan 8.380 nan 0.000 0.503 527 M N 1.744 121.358 119.600 0.023 0.000 2.502 527 M HA 0.314 4.809 4.480 0.024 0.000 0.351 527 M C 0.362 176.674 176.300 0.021 0.000 1.118 527 M CA -0.514 54.810 55.300 0.040 0.000 0.952 527 M CB 0.664 33.338 32.600 0.123 0.000 1.424 527 M HN 0.462 nan 8.290 nan 0.000 0.529 528 A N 0.503 123.293 122.820 -0.050 0.000 2.406 528 A HA 0.349 4.683 4.320 0.024 0.000 0.243 528 A C 1.025 178.548 177.584 -0.102 0.000 1.082 528 A CA 0.282 52.215 52.037 -0.173 0.000 0.786 528 A CB 0.122 18.835 19.000 -0.478 0.000 1.029 528 A HN 0.551 nan 8.150 nan 0.000 0.495 529 S N 0.661 116.317 115.700 -0.074 0.000 3.706 529 S HA -0.127 4.357 4.470 0.024 0.000 0.363 529 S C 0.252 174.834 174.600 -0.030 0.000 0.999 529 S CA 0.962 59.151 58.200 -0.018 0.000 1.143 529 S CB -1.721 61.491 63.200 0.021 0.000 0.902 529 S HN 0.822 nan 8.310 nan 0.000 0.476 530 N N 0.412 119.071 118.700 -0.068 0.000 2.938 530 N HA 0.391 5.145 4.740 0.024 0.000 0.335 530 N C 0.306 175.743 175.510 -0.123 0.000 1.358 530 N CA -0.619 52.385 53.050 -0.076 0.000 0.812 530 N CB 0.360 38.800 38.487 -0.078 0.000 1.233 530 N HN 0.116 nan 8.380 nan 0.000 0.593 531 Q N 0.999 120.719 119.800 -0.134 0.000 2.155 531 Q HA 0.374 4.728 4.340 0.024 0.000 0.273 531 Q C -0.680 175.186 176.000 -0.222 0.000 0.857 531 Q CA -0.201 55.510 55.803 -0.153 0.000 1.116 531 Q CB 0.109 28.799 28.738 -0.080 0.000 1.209 531 Q HN 0.401 nan 8.270 nan 0.000 0.460 532 L N 0.939 121.944 121.223 -0.364 0.000 2.433 532 L HA 0.106 4.460 4.340 0.024 0.000 0.275 532 L C 1.433 177.909 176.870 -0.656 0.000 1.128 532 L CA 0.248 54.801 54.840 -0.479 0.000 0.875 532 L CB 0.510 42.202 42.059 -0.612 0.000 1.171 532 L HN -0.018 nan 8.230 nan 0.000 0.463 533 K N 1.010 121.255 120.400 -0.259 0.000 2.202 533 K HA 0.106 4.440 4.320 0.024 0.000 0.201 533 K C 0.667 177.398 176.600 0.218 0.000 1.051 533 K CA 0.341 56.588 56.287 -0.066 0.000 0.977 533 K CB 0.510 33.009 32.500 -0.002 0.000 0.792 533 K HN 0.570 nan 8.250 nan 0.000 0.469 534 S N -0.434 115.410 115.700 0.240 0.000 2.656 534 S HA 0.523 5.008 4.470 0.024 0.000 0.273 534 S C -1.787 173.027 174.600 0.356 0.000 1.168 534 S CA -0.834 57.602 58.200 0.394 0.000 0.817 534 S CB 1.628 64.959 63.200 0.217 0.000 1.146 534 S HN 0.001 nan 8.310 nan 0.000 0.475 535 V N -0.014 120.069 119.914 0.281 0.000 3.040 535 V HA 0.814 4.948 4.120 0.024 0.000 0.312 535 V C -3.013 173.095 176.094 0.023 0.000 1.115 535 V CA -2.505 59.876 62.300 0.136 0.000 0.998 535 V CB 0.785 32.684 31.823 0.127 0.000 1.042 535 V HN 0.706 nan 8.190 nan 0.000 0.433 536 P HA 0.245 nan 4.420 nan 0.000 0.267 536 P C -0.761 176.362 177.300 -0.295 0.000 1.205 536 P CA 0.204 63.210 63.100 -0.157 0.000 0.765 536 P CB 0.124 31.708 31.700 -0.193 0.000 0.828 537 D N 2.008 122.212 120.400 -0.327 0.000 2.525 537 D HA 0.219 4.874 4.640 0.024 0.000 0.235 537 D C 1.603 177.359 176.300 -0.905 0.000 1.137 537 D CA 1.722 55.318 54.000 -0.673 0.000 0.868 537 D CB -0.076 40.504 40.800 -0.367 0.000 1.180 537 D HN 0.650 nan 8.370 nan 0.000 0.465 538 G N 2.213 109.950 108.800 -1.772 0.000 2.168 538 G HA2 -0.351 3.624 3.960 0.024 0.000 0.257 538 G HA3 -0.351 3.624 3.960 0.024 0.000 0.257 538 G C 1.046 175.680 174.900 -0.444 0.000 0.997 538 G CA 0.456 45.041 45.100 -0.859 0.000 0.708 538 G HN 0.624 nan 8.290 nan 0.000 0.520 539 I N -1.143 119.098 120.570 -0.548 0.000 2.756 539 I HA 0.080 4.265 4.170 0.024 0.000 0.262 539 I C 1.861 177.727 176.117 -0.417 0.000 1.225 539 I CA 1.262 62.267 61.300 -0.492 0.000 1.472 539 I CB -0.047 37.572 38.000 -0.634 0.000 1.094 539 I HN 0.301 nan 8.210 nan 0.000 0.454 540 F N -0.611 119.342 119.950 0.005 0.000 2.704 540 F HA 0.097 4.638 4.527 0.023 0.000 0.304 540 F C 1.780 177.630 175.800 0.082 0.000 1.094 540 F CA -0.436 57.512 58.000 -0.087 0.000 1.275 540 F CB -0.242 38.369 39.000 -0.648 0.000 1.073 540 F HN -0.041 nan 8.300 nan 0.000 0.586 541 D N 1.209 121.750 120.400 0.235 0.000 2.218 541 D HA -0.215 4.439 4.640 0.024 0.000 0.194 541 D C 1.917 178.325 176.300 0.180 0.000 1.007 541 D CA 1.502 55.633 54.000 0.218 0.000 0.879 541 D CB -0.183 40.683 40.800 0.109 0.000 0.918 541 D HN 0.298 nan 8.370 nan 0.000 0.449 542 R N -0.454 120.134 120.500 0.147 0.000 2.334 542 R HA 0.218 4.572 4.340 0.024 0.000 0.216 542 R C 0.599 176.975 176.300 0.125 0.000 0.905 542 R CA -0.145 56.026 56.100 0.119 0.000 1.064 542 R CB 0.315 30.668 30.300 0.089 0.000 1.046 542 R HN 0.123 nan 8.270 nan 0.000 0.508 543 L N 2.009 123.330 121.223 0.163 0.000 2.533 543 L HA 0.074 4.429 4.340 0.024 0.000 0.239 543 L C 1.272 178.216 176.870 0.123 0.000 1.376 543 L CA -0.091 54.825 54.840 0.126 0.000 1.240 543 L CB -0.257 41.871 42.059 0.114 0.000 1.487 543 L HN 0.209 nan 8.230 nan 0.000 0.419 544 T N -5.001 109.612 114.554 0.098 0.000 2.929 544 T HA -0.139 4.226 4.350 0.024 0.000 0.271 544 T C 1.659 176.388 174.700 0.049 0.000 1.085 544 T CA 1.194 63.340 62.100 0.077 0.000 1.125 544 T CB 0.007 68.912 68.868 0.061 0.000 0.874 544 T HN 0.365 nan 8.240 nan 0.000 0.494 545 S N 0.524 116.248 115.700 0.039 0.000 2.556 545 S HA 0.347 4.832 4.470 0.024 0.000 0.216 545 S C 0.389 174.995 174.600 0.010 0.000 0.970 545 S CA -0.609 57.603 58.200 0.020 0.000 0.912 545 S CB -0.314 62.895 63.200 0.015 0.000 0.790 545 S HN 0.425 nan 8.310 nan 0.000 0.504 546 L N 2.593 123.828 121.223 0.020 0.000 2.513 546 L HA 0.074 4.428 4.340 0.024 0.000 0.272 546 L C 0.794 177.653 176.870 -0.017 0.000 1.187 546 L CA 1.040 55.882 54.840 0.003 0.000 0.895 546 L CB 0.418 42.502 42.059 0.042 0.000 1.147 546 L HN 0.127 nan 8.230 nan 0.000 0.483 547 Q N 3.040 122.819 119.800 -0.036 0.000 2.431 547 Q HA 0.265 4.619 4.340 0.024 0.000 0.244 547 Q C -0.319 175.622 176.000 -0.098 0.000 0.880 547 Q CA 0.388 56.158 55.803 -0.055 0.000 0.954 547 Q CB 0.723 29.444 28.738 -0.028 0.000 1.105 547 Q HN 0.564 nan 8.270 nan 0.000 0.558 548 K N 0.647 120.984 120.400 -0.104 0.000 2.513 548 K HA 0.561 4.895 4.320 0.024 0.000 0.251 548 K C -1.684 174.800 176.600 -0.193 0.000 0.939 548 K CA -0.319 55.838 56.287 -0.217 0.000 0.793 548 K CB 2.826 35.201 32.500 -0.209 0.000 1.241 548 K HN -0.056 nan 8.250 nan 0.000 0.431 549 I N 2.401 122.785 120.570 -0.310 0.000 2.534 549 I HA 0.413 4.598 4.170 0.024 0.000 0.288 549 I C -1.343 174.659 176.117 -0.192 0.000 1.077 549 I CA -0.588 60.621 61.300 -0.150 0.000 1.051 549 I CB 1.164 39.078 38.000 -0.144 0.000 1.234 549 I HN 0.635 nan 8.210 nan 0.000 0.425 550 W N 8.219 129.461 121.300 -0.096 0.000 2.391 550 W HA 0.416 5.094 4.660 0.030 0.000 0.311 550 W C -0.199 176.283 176.519 -0.061 0.000 1.087 550 W CA -0.508 56.800 57.345 -0.061 0.000 1.209 550 W CB 1.771 31.166 29.460 -0.107 0.000 1.273 550 W HN 0.464 nan 8.180 nan 0.000 0.482 551 L N 2.624 123.960 121.223 0.188 0.000 3.360 551 L HA 0.008 4.362 4.340 0.024 0.000 0.303 551 L C 0.701 177.804 176.870 0.388 0.000 1.218 551 L CA -0.335 54.679 54.840 0.291 0.000 1.059 551 L CB -0.058 42.164 42.059 0.271 0.000 1.468 551 L HN 0.445 nan 8.230 nan 0.000 0.614 552 H N -1.971 117.290 119.070 0.318 0.000 2.703 552 H HA 0.189 4.757 4.556 0.020 0.000 0.377 552 H C 0.539 175.992 175.328 0.210 0.000 1.392 552 H CA 0.245 56.457 56.048 0.274 0.000 1.458 552 H CB -0.021 29.858 29.762 0.196 0.000 1.529 552 H HN 0.047 nan 8.280 nan 0.000 0.619 553 T N 0.339 115.108 114.554 0.359 0.000 4.039 553 T HA -0.217 4.147 4.350 0.024 0.000 0.352 553 T C -0.551 174.156 174.700 0.012 0.000 0.756 553 T CA 0.926 63.139 62.100 0.189 0.000 1.923 553 T CB -2.129 66.876 68.868 0.228 0.000 1.848 553 T HN 0.856 nan 8.240 nan 0.000 0.835 554 N N 1.328 119.978 118.700 -0.084 0.000 2.258 554 N HA 0.339 5.093 4.740 0.024 0.000 0.299 554 N C -2.703 172.501 175.510 -0.510 0.000 1.047 554 N CA -1.742 51.033 53.050 -0.458 0.000 0.814 554 N CB 2.491 40.385 38.487 -0.989 0.000 1.413 554 N HN -0.022 nan 8.380 nan 0.000 0.478 555 P HA 0.078 nan 4.420 nan 0.000 0.232 555 P C -0.444 176.775 177.300 -0.135 0.000 1.738 555 P CA -0.231 62.758 63.100 -0.184 0.000 0.948 555 P CB -0.794 30.833 31.700 -0.122 0.000 1.943 556 W N 0.941 122.272 121.300 0.050 0.000 2.274 556 W HA 0.028 4.703 4.660 0.026 0.000 0.345 556 W C 0.927 177.472 176.519 0.044 0.000 1.265 556 W CA -0.088 57.287 57.345 0.051 0.000 1.293 556 W CB 0.152 29.647 29.460 0.058 0.000 1.175 556 W HN 0.190 nan 8.180 nan 0.000 0.577 557 D N 2.531 123.127 120.400 0.326 0.000 2.427 557 D HA 0.211 4.866 4.640 0.024 0.000 0.226 557 D C -0.840 175.559 176.300 0.165 0.000 1.076 557 D CA -0.548 53.566 54.000 0.189 0.000 0.849 557 D CB 0.507 41.389 40.800 0.137 0.000 1.052 557 D HN 0.335 nan 8.370 nan 0.000 0.515 558 c N 3.608 122.285 118.600 0.128 0.000 2.285 558 c HA 0.285 4.870 4.570 0.024 0.000 0.361 558 c C 0.622 174.753 174.090 0.068 0.000 1.361 558 c CA -0.377 56.007 56.329 0.091 0.000 1.775 558 c CB -2.105 40.452 42.510 0.078 0.000 2.409 558 c HN 0.606 nan 8.230 nan 0.000 0.572 559 S N -0.231 115.511 115.700 0.069 0.000 2.567 559 S HA 0.323 4.808 4.470 0.024 0.000 0.262 559 S C 0.018 174.648 174.600 0.050 0.000 1.237 559 S CA -0.483 57.749 58.200 0.053 0.000 1.093 559 S CB -0.591 62.639 63.200 0.051 0.000 1.095 559 S HN 0.534 nan 8.310 nan 0.000 0.489 560 c N 4.967 123.594 118.600 0.044 0.000 2.608 560 c HA 0.137 4.722 4.570 0.024 0.000 0.407 560 c C 0.263 174.375 174.090 0.038 0.000 1.322 560 c CA -0.708 55.646 56.329 0.042 0.000 1.778 560 c CB -0.492 42.039 42.510 0.035 0.000 2.654 560 c HN 0.723 nan 8.230 nan 0.000 0.622 561 P HA -0.029 nan 4.420 nan 0.000 0.245 561 P C 1.460 178.796 177.300 0.060 0.000 1.212 561 P CA 0.539 63.666 63.100 0.046 0.000 0.774 561 P CB -0.041 31.683 31.700 0.039 0.000 0.999 562 R N 0.344 120.881 120.500 0.062 0.000 2.094 562 R HA -0.158 4.196 4.340 0.024 0.000 0.239 562 R C 1.984 178.342 176.300 0.096 0.000 1.137 562 R CA 1.466 57.612 56.100 0.077 0.000 0.943 562 R CB -0.708 29.640 30.300 0.080 0.000 0.850 562 R HN 0.089 nan 8.270 nan 0.000 0.433 563 I N 1.290 121.912 120.570 0.086 0.000 3.111 563 I HA -0.131 4.053 4.170 0.024 0.000 0.272 563 I C 1.341 177.497 176.117 0.064 0.000 1.268 563 I CA 1.028 62.371 61.300 0.073 0.000 1.467 563 I CB -0.244 37.788 38.000 0.055 0.000 1.087 563 I HN 0.225 nan 8.210 nan 0.000 0.467 564 D N -0.175 120.272 120.400 0.079 0.000 2.126 564 D HA -0.370 4.285 4.640 0.024 0.000 0.190 564 D C 2.188 178.555 176.300 0.111 0.000 1.001 564 D CA 1.929 55.977 54.000 0.079 0.000 0.841 564 D CB -0.358 40.491 40.800 0.081 0.000 0.949 564 D HN 0.462 nan 8.370 nan 0.000 0.446 565 Y N 0.065 120.390 120.300 0.041 0.000 2.151 565 Y HA -0.171 4.393 4.550 0.024 0.000 0.284 565 Y C 1.983 177.948 175.900 0.108 0.000 1.166 565 Y CA 1.533 59.673 58.100 0.067 0.000 1.163 565 Y CB -0.606 37.876 38.460 0.036 0.000 0.974 565 Y HN 0.166 nan 8.280 nan 0.000 0.511 566 L N -0.006 121.168 121.223 -0.081 0.000 2.068 566 L HA -0.101 4.253 4.340 0.024 0.000 0.204 566 L C 2.710 179.501 176.870 -0.132 0.000 1.076 566 L CA 2.102 56.834 54.840 -0.181 0.000 0.753 566 L CB -1.214 40.729 42.059 -0.193 0.000 0.910 566 L HN 0.405 nan 8.230 nan 0.000 0.439 567 S N -0.725 114.919 115.700 -0.094 0.000 2.370 567 S HA -0.291 4.193 4.470 0.024 0.000 0.226 567 S C 2.208 176.766 174.600 -0.069 0.000 1.033 567 S CA 1.321 59.475 58.200 -0.076 0.000 1.011 567 S CB -0.672 62.502 63.200 -0.043 0.000 0.852 567 S HN 0.408 nan 8.310 nan 0.000 0.457 568 R N 0.265 120.733 120.500 -0.054 0.000 2.081 568 R HA -0.021 4.334 4.340 0.024 0.000 0.235 568 R C 1.976 178.226 176.300 -0.084 0.000 1.131 568 R CA 1.656 57.725 56.100 -0.051 0.000 0.960 568 R CB -0.759 29.540 30.300 -0.001 0.000 0.856 568 R HN 0.674 nan 8.270 nan 0.000 0.436 569 W N -0.049 121.063 121.300 -0.315 0.000 2.407 569 W HA -0.046 4.628 4.660 0.023 0.000 0.305 569 W C 1.397 177.756 176.519 -0.267 0.000 1.196 569 W CA 1.143 58.290 57.345 -0.331 0.000 1.311 569 W CB -0.115 29.026 29.460 -0.532 0.000 1.135 569 W HN 0.048 nan 8.180 nan 0.000 0.514 570 L N 0.861 122.081 121.223 -0.004 0.000 2.141 570 L HA -0.231 4.124 4.340 0.024 0.000 0.209 570 L C 2.596 179.314 176.870 -0.253 0.000 1.094 570 L CA 1.274 56.033 54.840 -0.135 0.000 0.763 570 L CB -0.976 41.043 42.059 -0.067 0.000 0.908 570 L HN 0.174 nan 8.230 nan 0.000 0.437 571 N N 1.635 120.214 118.700 -0.203 0.000 2.039 571 N HA -0.230 4.525 4.740 0.024 0.000 0.193 571 N C 1.709 177.077 175.510 -0.236 0.000 1.044 571 N CA 1.915 54.855 53.050 -0.183 0.000 0.847 571 N CB 0.027 38.436 38.487 -0.130 0.000 1.030 571 N HN 0.439 nan 8.380 nan 0.000 0.422 572 K N -0.862 119.364 120.400 -0.289 0.000 2.486 572 K HA 0.080 4.414 4.320 0.024 0.000 0.194 572 K C 0.231 176.592 176.600 -0.399 0.000 1.033 572 K CA 0.743 56.854 56.287 -0.294 0.000 1.004 572 K CB 0.121 32.467 32.500 -0.257 0.000 0.798 572 K HN 0.075 nan 8.250 nan 0.000 0.495 573 N N 1.516 119.873 118.700 -0.571 0.000 2.416 573 N HA 0.010 4.765 4.740 0.024 0.000 0.267 573 N C 0.487 175.692 175.510 -0.508 0.000 1.294 573 N CA 0.231 52.867 53.050 -0.689 0.000 0.891 573 N CB 1.359 39.015 38.487 -1.386 0.000 1.238 573 N HN 0.310 nan 8.380 nan 0.000 0.508 574 S N 0.125 115.617 115.700 -0.347 0.000 2.399 574 S HA -0.195 4.289 4.470 0.024 0.000 0.231 574 S C 1.740 176.206 174.600 -0.223 0.000 1.022 574 S CA 0.798 58.846 58.200 -0.253 0.000 0.983 574 S CB -0.039 63.047 63.200 -0.190 0.000 0.803 574 S HN 0.262 nan 8.310 nan 0.000 0.480 575 Q N 1.698 121.367 119.800 -0.217 0.000 2.226 575 Q HA -0.118 4.236 4.340 0.024 0.000 0.204 575 Q C 1.677 177.555 176.000 -0.204 0.000 0.975 575 Q CA 1.406 57.099 55.803 -0.183 0.000 0.866 575 Q CB -0.181 28.462 28.738 -0.159 0.000 0.915 575 Q HN 0.702 nan 8.270 nan 0.000 0.440 576 K N 0.578 120.832 120.400 -0.244 0.000 2.167 576 K HA -0.019 4.315 4.320 0.024 0.000 0.203 576 K C 0.787 177.217 176.600 -0.283 0.000 1.052 576 K CA 0.156 56.296 56.287 -0.246 0.000 0.956 576 K CB 0.078 32.430 32.500 -0.247 0.000 0.735 576 K HN 0.226 nan 8.250 nan 0.000 0.451 577 E N 2.309 122.352 120.200 -0.262 0.000 2.324 577 E HA -0.047 4.318 4.350 0.024 0.000 0.271 577 E C -0.650 175.757 176.600 -0.321 0.000 1.028 577 E CA -0.137 56.109 56.400 -0.256 0.000 0.890 577 E CB 0.547 30.146 29.700 -0.168 0.000 1.004 577 E HN 0.012 nan 8.360 nan 0.000 0.431 578 Q N 2.869 122.370 119.800 -0.499 0.000 2.293 578 Q HA 0.414 4.768 4.340 0.024 0.000 0.261 578 Q C 0.485 176.344 176.000 -0.234 0.000 0.960 578 Q CA -0.006 55.446 55.803 -0.584 0.000 0.882 578 Q CB 1.749 29.613 28.738 -1.456 0.000 1.275 578 Q HN 0.887 nan 8.270 nan 0.000 0.445 579 G N 2.165 110.904 108.800 -0.101 0.000 2.601 579 G HA2 -0.246 3.728 3.960 0.024 0.000 0.252 579 G HA3 -0.246 3.728 3.960 0.024 0.000 0.252 579 G C -0.612 174.284 174.900 -0.007 0.000 1.294 579 G CA -0.030 45.040 45.100 -0.049 0.000 0.912 579 G HN 0.734 nan 8.290 nan 0.000 0.574 580 S N -0.600 115.119 115.700 0.031 0.000 2.779 580 S HA 0.729 5.214 4.470 0.024 0.000 0.293 580 S C 0.230 174.933 174.600 0.171 0.000 1.150 580 S CA 0.827 59.067 58.200 0.066 0.000 1.057 580 S CB 0.643 63.853 63.200 0.017 0.000 1.021 580 S HN 2.203 nan 8.310 nan 0.000 0.485 581 A N 4.950 127.870 122.820 0.167 0.000 2.440 581 A HA 0.624 4.958 4.320 0.024 0.000 0.251 581 A C 0.090 177.781 177.584 0.178 0.000 1.089 581 A CA 0.056 52.235 52.037 0.237 0.000 0.779 581 A CB 0.253 19.290 19.000 0.063 0.000 1.022 581 A HN 0.828 nan 8.150 nan 0.000 0.492 582 K N 0.768 121.353 120.400 0.309 0.000 2.480 582 K HA 0.503 4.837 4.320 0.024 0.000 0.258 582 K C -1.402 175.374 176.600 0.293 0.000 0.990 582 K CA -0.654 55.762 56.287 0.216 0.000 0.857 582 K CB 2.127 34.722 32.500 0.158 0.000 1.384 582 K HN 0.666 nan 8.250 nan 0.000 0.446 583 c N 1.925 120.641 118.600 0.193 0.000 2.401 583 c HA 0.295 4.879 4.570 0.024 0.000 0.365 583 c C 0.468 174.641 174.090 0.139 0.000 1.250 583 c CA -0.583 55.865 56.329 0.198 0.000 2.131 583 c CB 0.480 43.079 42.510 0.149 0.000 2.445 583 c HN 0.871 nan 8.230 nan 0.000 0.550 584 S N 2.585 118.361 115.700 0.126 0.000 2.558 584 S HA 0.425 4.909 4.470 0.024 0.000 0.293 584 S C 1.029 175.668 174.600 0.065 0.000 1.292 584 S CA 0.322 58.568 58.200 0.077 0.000 1.063 584 S CB 0.215 63.448 63.200 0.056 0.000 0.831 584 S HN 1.927 nan 8.310 nan 0.000 0.499 585 G N 2.921 111.752 108.800 0.051 0.000 5.219 585 G HA2 -0.399 3.575 3.960 0.024 0.000 0.267 585 G HA3 -0.399 3.575 3.960 0.024 0.000 0.267 585 G C 1.331 176.256 174.900 0.042 0.000 1.495 585 G CA 0.957 46.082 45.100 0.042 0.000 0.988 585 G HN 1.843 nan 8.290 nan 0.000 0.707 586 S N 1.067 116.795 115.700 0.046 0.000 2.414 586 S HA 0.338 4.822 4.470 0.024 0.000 0.227 586 S C 2.687 177.313 174.600 0.044 0.000 1.022 586 S CA 1.882 60.106 58.200 0.041 0.000 0.958 586 S CB -0.261 62.962 63.200 0.039 0.000 0.797 586 S HN 2.725 nan 8.310 nan 0.000 0.493 587 G N 1.439 110.274 108.800 0.058 0.000 2.168 587 G HA2 -0.305 3.670 3.960 0.024 0.000 0.263 587 G HA3 -0.305 3.670 3.960 0.024 0.000 0.263 587 G C 0.033 174.966 174.900 0.055 0.000 0.977 587 G CA 0.473 45.610 45.100 0.061 0.000 0.659 587 G HN 0.611 nan 8.290 nan 0.000 0.533 588 K N 1.062 121.490 120.400 0.048 0.000 2.448 588 K HA 0.254 4.589 4.320 0.024 0.000 0.278 588 K C -2.199 174.424 176.600 0.040 0.000 1.009 588 K CA -1.211 55.097 56.287 0.035 0.000 0.995 588 K CB 0.420 32.936 32.500 0.028 0.000 0.917 588 K HN 0.065 nan 8.250 nan 0.000 0.481 589 P HA -0.093 nan 4.420 nan 0.000 0.262 589 P C 0.651 177.948 177.300 -0.005 0.000 1.182 589 P CA 0.055 63.162 63.100 0.012 0.000 0.761 589 P CB 0.548 32.243 31.700 -0.008 0.000 0.795 590 V N 4.891 124.792 119.914 -0.021 0.000 2.594 590 V HA -0.251 3.884 4.120 0.024 0.000 0.253 590 V C 2.307 178.353 176.094 -0.080 0.000 1.069 590 V CA 1.971 64.230 62.300 -0.068 0.000 1.082 590 V CB -1.166 30.546 31.823 -0.187 0.000 0.680 590 V HN 0.650 nan 8.190 nan 0.000 0.469 591 R N 1.481 121.934 120.500 -0.079 0.000 2.237 591 R HA -0.099 4.255 4.340 0.024 0.000 0.219 591 R C 2.008 178.268 176.300 -0.066 0.000 1.080 591 R CA 1.577 57.626 56.100 -0.085 0.000 0.995 591 R CB -0.626 29.618 30.300 -0.093 0.000 0.875 591 R HN 0.616 nan 8.270 nan 0.000 0.462 592 S N 0.160 115.833 115.700 -0.046 0.000 2.535 592 S HA 0.200 4.685 4.470 0.024 0.000 0.214 592 S C 0.846 175.431 174.600 -0.024 0.000 0.980 592 S CA -0.589 57.591 58.200 -0.034 0.000 0.907 592 S CB 0.138 63.325 63.200 -0.022 0.000 0.790 592 S HN 0.112 nan 8.310 nan 0.000 0.510 593 I N 2.700 123.256 120.570 -0.024 0.000 2.474 593 I HA 0.393 4.577 4.170 0.024 0.000 0.287 593 I C -0.141 175.968 176.117 -0.014 0.000 1.048 593 I CA -0.805 60.488 61.300 -0.011 0.000 1.383 593 I CB 0.768 38.766 38.000 -0.004 0.000 1.412 593 I HN 0.252 nan 8.210 nan 0.000 0.531 594 I N 5.434 126.000 120.570 -0.005 0.000 2.411 594 I HA 0.271 4.456 4.170 0.024 0.000 0.284 594 I C -0.291 175.830 176.117 0.006 0.000 1.012 594 I CA -0.327 60.971 61.300 -0.003 0.000 1.119 594 I CB 1.599 39.596 38.000 -0.006 0.000 1.261 594 I HN 0.475 nan 8.210 nan 0.000 0.448 595 c N 7.020 125.627 118.600 0.012 0.000 2.463 595 c HA 0.424 5.009 4.570 0.024 0.000 0.380 595 c C -1.019 173.081 174.090 0.018 0.000 1.264 595 c CA -0.738 55.602 56.329 0.020 0.000 2.161 595 c CB -0.047 42.480 42.510 0.030 0.000 2.515 595 c HN 0.581 nan 8.230 nan 0.000 0.565 596 P HA 0.000 nan 4.420 nan 0.000 0.216 596 P CA 0.000 63.109 63.100 0.015 0.000 0.800 596 P CB 0.000 31.709 31.700 0.014 0.000 0.726