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 3euk_1_F DATA FIRST_RESID 33 DATA SEQUENCE IARGKFRSLT LINWNGFFAR TFDFDELVTT LSGGNGAGKS TTMAGFVTAL DATA SEQUENCE IPDLTLLNFR NTTEAGSTSS SRDKGLYGKL KAGVCYAVLE TVNSRAQRII DATA SEQUENCE TGVRLQQIAG RDKKVDIRPF SLQNVPMTDS VISLFTEQVA XXXRVLSLND DATA SEQUENCE LKEKFEETAV TFKPYHSITD YHSFMFDLGI LPKRLRSSSD RNKFYKLIEA DATA SEQUENCE SLYGGISSVI TKSLRDYLLP ENSGVRQAFQ DMEAAXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX ISAESVANIL RKTIQREQNR DATA SEQUENCE ILQLNQGLQN IAFGQVKGVR LVVNIRDTHS ILLNALSDQH XXXXXXXXXX DATA SEQUENCE XXSFSEALAM LYKRINPHIE XXXXXPQTIG EELLDYRNYL DLEVETLRGA DATA SEQUENCE YGWMRAESSA LSTGEAIGTG MSILLMVVQS WEEESRRMRA KDILPCRLLF DATA SEQUENCE LDQAARLDAM SINTLFELCE RLDMQLLIAA PENISPERGT TYKLVRKILA DATA SEQUENCE NQEYVHVVGL KG 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 33 I HA 0.000 nan 4.170 nan 0.000 0.288 33 I C 0.000 176.109 176.117 -0.014 0.000 1.063 33 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 33 I CB 0.000 37.989 38.000 -0.017 0.000 1.214 34 A N 1.396 124.204 122.820 -0.020 0.000 2.465 34 A HA 0.710 5.036 4.320 0.009 0.000 0.292 34 A C -0.750 176.819 177.584 -0.026 0.000 1.041 34 A CA -0.628 51.398 52.037 -0.018 0.000 0.718 34 A CB 1.713 20.703 19.000 -0.018 0.000 1.266 34 A HN 0.684 nan 8.150 nan 0.000 0.403 35 R N 2.568 123.057 120.500 -0.018 0.000 2.220 35 R HA 0.434 4.779 4.340 0.009 0.000 0.340 35 R C 0.753 177.037 176.300 -0.028 0.000 1.076 35 R CA 0.324 56.410 56.100 -0.022 0.000 0.920 35 R CB 0.362 30.658 30.300 -0.006 0.000 1.062 35 R HN 1.083 nan 8.270 nan 0.000 0.469 36 G N 3.806 112.571 108.800 -0.058 0.000 2.349 36 G HA2 -0.075 3.890 3.960 0.009 0.000 0.232 36 G HA3 -0.075 3.890 3.960 0.009 0.000 0.232 36 G C -0.541 174.319 174.900 -0.066 0.000 1.240 36 G CA -0.045 45.005 45.100 -0.083 0.000 0.870 36 G HN 0.522 nan 8.290 nan 0.000 0.528 37 K N 0.496 120.859 120.400 -0.062 0.000 2.480 37 K HA 0.399 4.724 4.320 0.009 0.000 0.258 37 K C -1.016 175.565 176.600 -0.031 0.000 0.990 37 K CA -0.810 55.486 56.287 0.015 0.000 0.857 37 K CB 1.778 34.326 32.500 0.080 0.000 1.384 37 K HN 0.328 nan 8.250 nan 0.000 0.446 38 F N 1.205 121.152 119.950 -0.005 0.000 2.389 38 F HA 0.306 4.840 4.527 0.011 0.000 0.337 38 F C 1.857 177.712 175.800 0.092 0.000 1.112 38 F CA -0.199 57.801 58.000 -0.000 0.000 1.192 38 F CB 0.708 39.638 39.000 -0.116 0.000 1.185 38 F HN 0.272 nan 8.300 nan 0.000 0.552 39 R N 0.384 121.071 120.500 0.312 0.000 2.167 39 R HA 0.216 4.562 4.340 0.009 0.000 0.195 39 R C -0.355 176.170 176.300 0.375 0.000 1.027 39 R CA 0.659 56.932 56.100 0.288 0.000 1.114 39 R CB 0.153 30.545 30.300 0.154 0.000 1.075 39 R HN 0.681 nan 8.270 nan 0.000 0.538 40 S N -0.249 115.673 115.700 0.371 0.000 2.543 40 S HA 0.408 4.884 4.470 0.009 0.000 0.274 40 S C -1.248 173.442 174.600 0.150 0.000 1.149 40 S CA -0.953 57.347 58.200 0.167 0.000 0.866 40 S CB 1.530 64.745 63.200 0.025 0.000 1.111 40 S HN 0.004 nan 8.310 nan 0.000 0.457 41 L N 1.757 122.938 121.223 -0.069 0.000 2.357 41 L HA 0.810 5.155 4.340 0.009 0.000 0.273 41 L C -0.372 176.412 176.870 -0.144 0.000 1.080 41 L CA 0.512 55.275 54.840 -0.128 0.000 0.803 41 L CB 1.744 43.640 42.059 -0.272 0.000 1.174 41 L HN 0.983 nan 8.230 nan 0.000 0.443 42 T N 5.173 119.645 114.554 -0.137 0.000 2.985 42 T HA 0.466 4.822 4.350 0.009 0.000 0.315 42 T C -0.493 174.110 174.700 -0.163 0.000 1.001 42 T CA -0.395 61.652 62.100 -0.087 0.000 1.016 42 T CB 0.519 69.400 68.868 0.022 0.000 0.993 42 T HN 0.356 nan 8.240 nan 0.000 0.454 43 L N 3.923 125.014 121.223 -0.219 0.000 2.334 43 L HA 0.631 4.976 4.340 0.009 0.000 0.277 43 L C -0.462 176.420 176.870 0.020 0.000 1.075 43 L CA -1.081 53.577 54.840 -0.303 0.000 0.804 43 L CB 0.968 42.722 42.059 -0.509 0.000 1.174 43 L HN 0.408 nan 8.230 nan 0.000 0.438 44 I N 3.197 123.906 120.570 0.232 0.000 2.512 44 I HA 0.219 4.395 4.170 0.009 0.000 0.287 44 I C 0.448 176.796 176.117 0.386 0.000 1.069 44 I CA -0.249 61.230 61.300 0.298 0.000 1.056 44 I CB 1.157 39.313 38.000 0.260 0.000 1.229 44 I HN 0.765 nan 8.210 nan 0.000 0.429 45 N N 4.270 123.125 118.700 0.258 0.000 2.946 45 N HA -0.268 4.477 4.740 0.009 0.000 0.228 45 N C -0.495 175.091 175.510 0.126 0.000 0.873 45 N CA 1.090 54.192 53.050 0.088 0.000 1.029 45 N CB -0.977 37.541 38.487 0.050 0.000 1.047 45 N HN 0.572 nan 8.380 nan 0.000 0.612 46 W N 2.200 123.541 121.300 0.068 0.000 2.493 46 W HA 0.034 4.700 4.660 0.009 0.000 0.337 46 W C 1.110 177.665 176.519 0.060 0.000 1.234 46 W CA 0.995 58.398 57.345 0.098 0.000 1.286 46 W CB -0.452 29.149 29.460 0.234 0.000 1.188 46 W HN 0.290 nan 8.180 nan 0.000 0.564 47 N N 2.929 121.664 118.700 0.058 0.000 1.916 47 N HA -0.052 4.694 4.740 0.009 0.000 0.307 47 N C 1.292 176.762 175.510 -0.068 0.000 1.322 47 N CA 2.003 55.035 53.050 -0.031 0.000 0.808 47 N CB 0.232 38.677 38.487 -0.069 0.000 1.056 47 N HN 0.812 nan 8.380 nan 0.000 0.499 48 G N 2.449 111.209 108.800 -0.065 0.000 2.245 48 G HA2 -0.284 3.682 3.960 0.009 0.000 0.264 48 G HA3 -0.284 3.682 3.960 0.009 0.000 0.264 48 G C 0.040 174.898 174.900 -0.070 0.000 0.985 48 G CA 0.474 45.509 45.100 -0.109 0.000 0.625 48 G HN 0.534 nan 8.290 nan 0.000 0.536 49 F N 0.750 120.830 119.950 0.217 0.000 2.389 49 F HA 0.639 5.172 4.527 0.010 0.000 0.327 49 F C 1.158 177.109 175.800 0.251 0.000 1.204 49 F CA -2.090 56.053 58.000 0.238 0.000 1.209 49 F CB -0.107 39.032 39.000 0.231 0.000 1.460 49 F HN -0.026 nan 8.300 nan 0.000 0.537 50 F N 1.652 121.797 119.950 0.324 0.000 2.176 50 F HA -0.097 4.435 4.527 0.008 0.000 0.301 50 F C 1.312 177.244 175.800 0.219 0.000 1.071 50 F CA 1.537 59.681 58.000 0.241 0.000 1.289 50 F CB 0.040 39.161 39.000 0.202 0.000 1.028 50 F HN 0.344 nan 8.300 nan 0.000 0.494 51 A N -0.576 122.476 122.820 0.387 0.000 1.985 51 A HA 0.606 4.931 4.320 0.009 0.000 0.278 51 A C -0.537 177.139 177.584 0.153 0.000 0.983 51 A CA -0.700 51.480 52.037 0.238 0.000 0.910 51 A CB 0.250 19.377 19.000 0.212 0.000 0.978 51 A HN 0.138 nan 8.150 nan 0.000 0.336 52 R N 0.262 120.801 120.500 0.065 0.000 2.707 52 R HA 0.847 5.193 4.340 0.009 0.000 0.272 52 R C -1.225 175.035 176.300 -0.068 0.000 1.011 52 R CA -0.369 55.700 56.100 -0.052 0.000 0.893 52 R CB 2.510 32.731 30.300 -0.133 0.000 1.233 52 R HN 0.675 nan 8.270 nan 0.000 0.464 53 T N 2.155 116.622 114.554 -0.145 0.000 2.921 53 T HA 0.550 4.905 4.350 0.009 0.000 0.297 53 T C -1.453 173.122 174.700 -0.209 0.000 1.013 53 T CA -0.491 61.572 62.100 -0.061 0.000 0.990 53 T CB 0.694 69.541 68.868 -0.035 0.000 1.023 53 T HN 0.186 nan 8.240 nan 0.000 0.447 54 F N 1.586 121.230 119.950 -0.509 0.000 2.444 54 F HA 0.385 4.917 4.527 0.008 0.000 0.342 54 F C 0.558 175.945 175.800 -0.688 0.000 1.121 54 F CA -1.546 55.991 58.000 -0.773 0.000 0.997 54 F CB 0.977 39.268 39.000 -1.182 0.000 1.130 54 F HN 0.380 nan 8.300 nan 0.000 0.454 55 D N 3.307 123.610 120.400 -0.162 0.000 2.325 55 D HA 0.129 4.774 4.640 0.009 0.000 0.251 55 D C -0.479 175.797 176.300 -0.040 0.000 1.196 55 D CA 0.031 54.001 54.000 -0.051 0.000 0.866 55 D CB 0.634 41.495 40.800 0.102 0.000 1.101 55 D HN 0.150 nan 8.370 nan 0.000 0.476 56 F N 2.153 122.166 119.950 0.105 0.000 2.471 56 F HA 0.017 4.548 4.527 0.008 0.000 0.365 56 F C 1.504 177.376 175.800 0.120 0.000 1.095 56 F CA -0.307 57.756 58.000 0.105 0.000 1.174 56 F CB 0.290 39.343 39.000 0.090 0.000 1.105 56 F HN 0.187 nan 8.300 nan 0.000 0.535 57 D N 2.708 123.290 120.400 0.303 0.000 2.378 57 D HA -0.065 4.580 4.640 0.009 0.000 0.238 57 D C 0.836 177.244 176.300 0.180 0.000 1.180 57 D CA 0.123 54.249 54.000 0.210 0.000 0.895 57 D CB 0.963 41.873 40.800 0.184 0.000 1.192 57 D HN 0.567 nan 8.370 nan 0.000 0.438 58 E N 1.045 121.326 120.200 0.134 0.000 2.285 58 E HA 0.002 4.358 4.350 0.009 0.000 0.194 58 E C 1.163 177.805 176.600 0.070 0.000 0.997 58 E CA 0.666 57.129 56.400 0.104 0.000 0.845 58 E CB 0.196 29.948 29.700 0.087 0.000 0.782 58 E HN 0.436 nan 8.360 nan 0.000 0.491 59 L N -1.257 120.008 121.223 0.069 0.000 2.546 59 L HA 0.250 4.595 4.340 0.009 0.000 0.185 59 L C 0.141 176.964 176.870 -0.077 0.000 1.247 59 L CA 0.043 54.897 54.840 0.023 0.000 0.848 59 L CB 0.170 42.285 42.059 0.092 0.000 1.133 59 L HN -0.202 nan 8.230 nan 0.000 0.504 60 V N 0.055 119.928 119.914 -0.068 0.000 2.569 60 V HA 0.270 4.395 4.120 0.009 0.000 0.301 60 V C -0.748 175.374 176.094 0.048 0.000 1.044 60 V CA -0.493 61.699 62.300 -0.180 0.000 0.874 60 V CB 1.723 33.096 31.823 -0.750 0.000 1.002 60 V HN 0.245 nan 8.190 nan 0.000 0.424 61 T N 3.661 118.273 114.554 0.097 0.000 2.771 61 T HA 0.491 4.847 4.350 0.009 0.000 0.291 61 T C 0.041 174.853 174.700 0.188 0.000 0.954 61 T CA -0.159 62.069 62.100 0.214 0.000 1.045 61 T CB 0.813 69.898 68.868 0.362 0.000 0.917 61 T HN 0.716 nan 8.240 nan 0.000 0.484 62 T N 4.427 119.110 114.554 0.215 0.000 2.840 62 T HA 0.440 4.796 4.350 0.009 0.000 0.287 62 T C -0.075 174.746 174.700 0.201 0.000 0.991 62 T CA -0.709 61.504 62.100 0.190 0.000 0.964 62 T CB 0.701 69.686 68.868 0.194 0.000 0.954 62 T HN 0.372 nan 8.240 nan 0.000 0.438 63 L N 2.985 124.303 121.223 0.158 0.000 2.283 63 L HA 0.428 4.774 4.340 0.009 0.000 0.287 63 L C 0.426 177.382 176.870 0.143 0.000 1.073 63 L CA -0.433 54.501 54.840 0.157 0.000 0.822 63 L CB 0.685 42.795 42.059 0.085 0.000 1.186 63 L HN 0.589 nan 8.230 nan 0.000 0.436 64 S N 1.838 117.638 115.700 0.166 0.000 2.489 64 S HA 0.890 5.366 4.470 0.009 0.000 0.291 64 S C 0.329 175.002 174.600 0.122 0.000 1.151 64 S CA -0.427 57.850 58.200 0.127 0.000 1.082 64 S CB 1.918 65.187 63.200 0.115 0.000 1.019 64 S HN 0.878 nan 8.310 nan 0.000 0.492 65 G N 0.644 109.500 108.800 0.094 0.000 2.320 65 G HA2 0.545 4.510 3.960 0.009 0.000 0.296 65 G HA3 0.545 4.510 3.960 0.009 0.000 0.296 65 G C -1.021 173.918 174.900 0.064 0.000 1.306 65 G CA -0.291 44.860 45.100 0.086 0.000 0.836 65 G HN 0.908 nan 8.290 nan 0.000 0.517 66 G N -0.913 107.921 108.800 0.058 0.000 2.448 66 G HA2 0.551 4.517 3.960 0.009 0.000 0.324 66 G HA3 0.551 4.517 3.960 0.009 0.000 0.324 66 G C -0.116 174.809 174.900 0.042 0.000 1.203 66 G CA -0.669 44.458 45.100 0.045 0.000 0.954 66 G HN 0.840 nan 8.290 nan 0.000 0.480 67 N N 0.130 118.851 118.700 0.036 0.000 1.722 67 N HA -0.040 4.705 4.740 0.009 0.000 0.342 67 N C 1.541 177.071 175.510 0.033 0.000 1.252 67 N CA 1.589 54.658 53.050 0.033 0.000 0.780 67 N CB 0.298 38.802 38.487 0.028 0.000 0.999 67 N HN 1.249 nan 8.380 nan 0.000 0.513 68 G N 1.560 110.380 108.800 0.033 0.000 2.550 68 G HA2 -0.457 3.508 3.960 0.009 0.000 0.233 68 G HA3 -0.457 3.508 3.960 0.009 0.000 0.233 68 G C 1.123 176.043 174.900 0.033 0.000 1.170 68 G CA 0.782 45.900 45.100 0.030 0.000 0.693 68 G HN 1.020 nan 8.290 nan 0.000 0.512 69 A N -0.361 122.484 122.820 0.041 0.000 1.762 69 A HA 0.156 4.482 4.320 0.009 0.000 0.285 69 A C 3.073 180.690 177.584 0.054 0.000 2.926 69 A CA 4.135 56.205 52.037 0.055 0.000 0.873 69 A CB -1.060 17.987 19.000 0.079 0.000 0.820 69 A HN 2.844 nan 8.150 nan 0.000 0.524 70 G N -3.556 105.295 108.800 0.085 0.000 2.731 70 G HA2 -0.004 3.962 3.960 0.009 0.000 0.219 70 G HA3 -0.004 3.962 3.960 0.009 0.000 0.219 70 G C 0.575 175.601 174.900 0.211 0.000 0.989 70 G CA 0.880 46.052 45.100 0.119 0.000 0.871 70 G HN 0.564 nan 8.290 nan 0.000 0.591 71 K N 0.808 121.290 120.400 0.135 0.000 1.973 71 K HA -0.028 4.297 4.320 0.009 0.000 0.212 71 K C 2.623 179.241 176.600 0.030 0.000 1.047 71 K CA 1.754 58.092 56.287 0.085 0.000 0.937 71 K CB -0.326 32.211 32.500 0.062 0.000 0.721 71 K HN 0.202 nan 8.250 nan 0.000 0.440 72 S N 0.885 116.599 115.700 0.022 0.000 2.368 72 S HA -0.215 4.260 4.470 0.009 0.000 0.226 72 S C 2.213 176.823 174.600 0.017 0.000 1.044 72 S CA 2.293 60.487 58.200 -0.010 0.000 1.062 72 S CB -0.897 62.302 63.200 -0.003 0.000 0.931 72 S HN 0.583 nan 8.310 nan 0.000 0.440 73 T N 0.394 115.006 114.554 0.097 0.000 2.721 73 T HA -0.205 4.150 4.350 0.009 0.000 0.268 73 T C 1.804 176.550 174.700 0.075 0.000 1.038 73 T CA 2.017 64.237 62.100 0.200 0.000 1.145 73 T CB -1.367 67.723 68.868 0.370 0.000 0.858 73 T HN 0.364 nan 8.240 nan 0.000 0.459 74 T N 2.169 116.696 114.554 -0.045 0.000 2.652 74 T HA -0.036 4.319 4.350 0.009 0.000 0.267 74 T C 2.053 176.586 174.700 -0.277 0.000 1.039 74 T CA 1.847 63.746 62.100 -0.335 0.000 1.153 74 T CB -0.475 68.112 68.868 -0.469 0.000 0.863 74 T HN 0.408 nan 8.240 nan 0.000 0.428 75 M N 0.783 120.265 119.600 -0.197 0.000 2.117 75 M HA -0.075 4.410 4.480 0.009 0.000 0.262 75 M C 2.843 179.031 176.300 -0.186 0.000 1.065 75 M CA 1.530 56.664 55.300 -0.277 0.000 1.114 75 M CB -0.586 31.724 32.600 -0.482 0.000 1.361 75 M HN 0.319 nan 8.290 nan 0.000 0.408 76 A N 0.958 123.754 122.820 -0.040 0.000 1.873 76 A HA -0.147 4.179 4.320 0.009 0.000 0.218 76 A C 2.381 180.061 177.584 0.159 0.000 1.193 76 A CA 2.233 54.362 52.037 0.153 0.000 0.629 76 A CB -1.758 17.190 19.000 -0.087 0.000 0.826 76 A HN 0.551 nan 8.150 nan 0.000 0.447 77 G N -1.667 107.109 108.800 -0.041 0.000 2.469 77 G HA2 -0.294 3.671 3.960 0.009 0.000 0.220 77 G HA3 -0.294 3.671 3.960 0.009 0.000 0.220 77 G C 1.559 176.485 174.900 0.042 0.000 1.136 77 G CA 1.075 46.047 45.100 -0.214 0.000 0.759 77 G HN 0.558 nan 8.290 nan 0.000 0.562 78 F N 0.582 120.447 119.950 -0.143 0.000 2.134 78 F HA -0.145 4.388 4.527 0.011 0.000 0.299 78 F C 2.707 178.559 175.800 0.086 0.000 1.097 78 F CA 0.959 58.949 58.000 -0.017 0.000 1.264 78 F CB 0.164 39.146 39.000 -0.030 0.000 1.001 78 F HN 0.040 nan 8.300 nan 0.000 0.479 79 V N -0.217 119.865 119.914 0.281 0.000 2.307 79 V HA -0.282 3.843 4.120 0.009 0.000 0.245 79 V C 2.235 178.540 176.094 0.351 0.000 1.045 79 V CA 2.276 64.712 62.300 0.226 0.000 1.024 79 V CB -1.036 30.866 31.823 0.132 0.000 0.651 79 V HN 0.379 nan 8.190 nan 0.000 0.449 80 T N 0.792 115.586 114.554 0.400 0.000 2.653 80 T HA -0.253 4.102 4.350 0.009 0.000 0.268 80 T C 1.855 176.738 174.700 0.304 0.000 1.035 80 T CA 2.018 64.345 62.100 0.379 0.000 1.154 80 T CB -0.428 68.671 68.868 0.386 0.000 0.862 80 T HN 0.575 nan 8.240 nan 0.000 0.441 81 A N -0.148 122.847 122.820 0.293 0.000 2.169 81 A HA 0.320 4.646 4.320 0.009 0.000 0.212 81 A C 2.103 179.912 177.584 0.375 0.000 1.153 81 A CA 0.468 52.654 52.037 0.250 0.000 0.756 81 A CB -0.404 18.704 19.000 0.181 0.000 0.813 81 A HN 0.508 nan 8.150 nan 0.000 0.471 82 L N -1.243 120.245 121.223 0.442 0.000 2.408 82 L HA 0.395 4.741 4.340 0.009 0.000 0.215 82 L C 0.077 177.289 176.870 0.568 0.000 1.081 82 L CA 0.681 55.834 54.840 0.523 0.000 0.840 82 L CB 0.328 42.682 42.059 0.492 0.000 1.002 82 L HN 0.288 nan 8.230 nan 0.000 0.468 83 I N 1.249 122.103 120.570 0.475 0.000 2.914 83 I HA 0.180 4.356 4.170 0.009 0.000 0.303 83 I C -2.422 173.907 176.117 0.354 0.000 1.553 83 I CA -1.170 60.438 61.300 0.512 0.000 0.799 83 I CB 1.083 39.367 38.000 0.474 0.000 2.056 83 I HN -0.060 nan 8.210 nan 0.000 0.613 84 P HA 0.128 nan 4.420 nan 0.000 0.263 84 P C -0.791 176.563 177.300 0.090 0.000 1.247 84 P CA 0.719 63.894 63.100 0.125 0.000 0.876 84 P CB 0.703 32.395 31.700 -0.014 0.000 0.928 85 D N 3.084 123.556 120.400 0.119 0.000 2.726 85 D HA 0.097 4.743 4.640 0.009 0.000 0.203 85 D C -0.166 176.171 176.300 0.061 0.000 1.297 85 D CA -0.470 53.574 54.000 0.072 0.000 0.863 85 D CB 0.876 41.717 40.800 0.068 0.000 1.669 85 D HN 0.082 nan 8.370 nan 0.000 0.561 86 L N 3.292 124.541 121.223 0.043 0.000 2.862 86 L HA 0.223 4.568 4.340 0.009 0.000 0.240 86 L C 0.803 177.672 176.870 -0.001 0.000 1.283 86 L CA 0.368 55.230 54.840 0.037 0.000 1.117 86 L CB -0.140 41.943 42.059 0.040 0.000 1.444 86 L HN 0.403 nan 8.230 nan 0.000 0.456 87 T N -1.408 113.127 114.554 -0.031 0.000 3.016 87 T HA 0.220 4.575 4.350 0.009 0.000 0.271 87 T C 1.090 175.702 174.700 -0.146 0.000 0.968 87 T CA 0.055 62.119 62.100 -0.061 0.000 0.891 87 T CB 0.638 69.484 68.868 -0.036 0.000 1.149 87 T HN 0.109 nan 8.240 nan 0.000 0.524 88 L N -0.529 120.555 121.223 -0.231 0.000 3.066 88 L HA 0.449 4.794 4.340 0.009 0.000 0.272 88 L C 0.129 176.530 176.870 -0.782 0.000 1.101 88 L CA 0.180 54.655 54.840 -0.608 0.000 1.022 88 L CB 0.133 41.758 42.059 -0.723 0.000 1.600 88 L HN 0.099 nan 8.230 nan 0.000 0.559 89 L N 2.896 123.992 121.223 -0.212 0.000 2.623 89 L HA 0.153 4.498 4.340 0.009 0.000 0.281 89 L C -0.190 176.771 176.870 0.152 0.000 1.150 89 L CA 0.268 55.195 54.840 0.145 0.000 0.965 89 L CB -0.394 41.901 42.059 0.392 0.000 1.303 89 L HN 0.277 nan 8.230 nan 0.000 0.467 90 N N 3.769 122.480 118.700 0.018 0.000 2.430 90 N HA 0.265 5.011 4.740 0.009 0.000 0.290 90 N C -1.244 174.266 175.510 0.001 0.000 1.063 90 N CA -0.466 52.641 53.050 0.094 0.000 0.883 90 N CB 1.368 39.849 38.487 -0.011 0.000 1.465 90 N HN 0.123 nan 8.380 nan 0.000 0.493 91 F N 3.183 123.240 119.950 0.179 0.000 2.434 91 F HA 0.433 4.966 4.527 0.009 0.000 0.316 91 F C 1.171 177.108 175.800 0.229 0.000 1.222 91 F CA -0.684 57.460 58.000 0.239 0.000 1.207 91 F CB 0.285 39.391 39.000 0.177 0.000 1.466 91 F HN 0.139 nan 8.300 nan 0.000 0.545 92 R N 0.269 120.951 120.500 0.303 0.000 2.811 92 R HA -0.035 4.310 4.340 0.009 0.000 0.265 92 R C 0.242 176.750 176.300 0.346 0.000 1.026 92 R CA -0.271 55.972 56.100 0.238 0.000 1.142 92 R CB 0.328 30.689 30.300 0.102 0.000 1.027 92 R HN 0.329 nan 8.270 nan 0.000 0.465 93 N N -0.056 118.781 118.700 0.227 0.000 2.508 93 N HA -0.057 4.689 4.740 0.009 0.000 0.264 93 N C 0.713 176.359 175.510 0.227 0.000 1.216 93 N CA 0.046 53.207 53.050 0.185 0.000 0.943 93 N CB 0.894 39.450 38.487 0.116 0.000 1.113 93 N HN 0.564 nan 8.380 nan 0.000 0.447 94 T N -1.153 113.487 114.554 0.144 0.000 3.309 94 T HA -0.117 4.238 4.350 0.009 0.000 0.265 94 T C 1.187 175.969 174.700 0.138 0.000 1.194 94 T CA 1.214 63.400 62.100 0.143 0.000 1.037 94 T CB -1.042 67.821 68.868 -0.008 0.000 0.917 94 T HN 0.642 nan 8.240 nan 0.000 0.558 95 T N -1.464 113.163 114.554 0.122 0.000 3.014 95 T HA 0.213 4.568 4.350 0.009 0.000 0.250 95 T C 0.745 175.494 174.700 0.082 0.000 1.060 95 T CA -0.249 61.902 62.100 0.085 0.000 1.040 95 T CB 0.029 68.936 68.868 0.065 0.000 0.971 95 T HN 0.547 nan 8.240 nan 0.000 0.497 96 E N 1.318 121.579 120.200 0.103 0.000 2.989 96 E HA 0.612 4.967 4.350 0.009 0.000 0.224 96 E C 1.173 177.797 176.600 0.041 0.000 1.175 96 E CA -0.415 56.022 56.400 0.062 0.000 1.300 96 E CB 0.741 30.472 29.700 0.051 0.000 1.422 96 E HN 0.430 nan 8.360 nan 0.000 0.439 97 A N 1.605 124.462 122.820 0.060 0.000 1.848 97 A HA -0.097 4.229 4.320 0.009 0.000 0.217 97 A C 1.487 179.005 177.584 -0.111 0.000 1.220 97 A CA 1.584 53.629 52.037 0.014 0.000 0.645 97 A CB -0.557 18.479 19.000 0.059 0.000 0.842 97 A HN 0.432 nan 8.150 nan 0.000 0.451 98 G N -0.650 108.115 108.800 -0.058 0.000 2.468 98 G HA2 0.498 4.464 3.960 0.009 0.000 0.320 98 G HA3 0.498 4.464 3.960 0.009 0.000 0.320 98 G C -0.772 174.100 174.900 -0.047 0.000 1.137 98 G CA 0.124 45.183 45.100 -0.067 0.000 0.984 98 G HN 0.329 nan 8.290 nan 0.000 0.462 99 S N 1.808 117.474 115.700 -0.057 0.000 2.746 99 S HA 0.210 4.686 4.470 0.009 0.000 0.273 99 S C 1.267 175.844 174.600 -0.037 0.000 1.172 99 S CA -0.609 57.569 58.200 -0.036 0.000 1.116 99 S CB 1.508 64.692 63.200 -0.026 0.000 1.057 99 S HN 0.546 nan 8.310 nan 0.000 0.483 100 T N 2.046 116.583 114.554 -0.028 0.000 2.792 100 T HA -0.116 4.239 4.350 0.009 0.000 0.268 100 T C 1.065 175.750 174.700 -0.024 0.000 1.059 100 T CA 1.327 63.412 62.100 -0.025 0.000 1.136 100 T CB -0.135 68.722 68.868 -0.018 0.000 0.846 100 T HN 0.592 nan 8.240 nan 0.000 0.489 101 S N 1.031 116.719 115.700 -0.020 0.000 2.563 101 S HA 0.241 4.717 4.470 0.009 0.000 0.284 101 S C 0.847 175.435 174.600 -0.020 0.000 1.331 101 S CA -0.386 57.804 58.200 -0.016 0.000 1.047 101 S CB 0.696 63.890 63.200 -0.009 0.000 0.859 101 S HN 0.314 nan 8.310 nan 0.000 0.514 102 S N 0.357 116.047 115.700 -0.017 0.000 2.967 102 S HA 0.106 4.582 4.470 0.009 0.000 0.236 102 S C 1.036 175.629 174.600 -0.012 0.000 0.804 102 S CA -0.252 57.936 58.200 -0.019 0.000 1.223 102 S CB 0.275 63.455 63.200 -0.033 0.000 1.268 102 S HN 0.617 nan 8.310 nan 0.000 0.573 103 S N 1.541 117.237 115.700 -0.008 0.000 2.441 103 S HA 0.214 4.690 4.470 0.009 0.000 0.224 103 S C 1.024 175.622 174.600 -0.003 0.000 1.043 103 S CA 0.105 58.301 58.200 -0.007 0.000 0.948 103 S CB 0.109 63.304 63.200 -0.008 0.000 0.810 103 S HN 0.488 nan 8.310 nan 0.000 0.504 104 R N 1.729 122.231 120.500 0.002 0.000 2.971 104 R HA 0.077 4.423 4.340 0.009 0.000 0.278 104 R C 0.145 176.453 176.300 0.013 0.000 1.022 104 R CA 0.313 56.418 56.100 0.007 0.000 1.187 104 R CB -0.201 30.108 30.300 0.014 0.000 1.126 104 R HN 0.388 nan 8.270 nan 0.000 0.510 105 D N 0.043 120.451 120.400 0.013 0.000 2.383 105 D HA -0.098 4.548 4.640 0.009 0.000 0.233 105 D C 0.496 176.828 176.300 0.054 0.000 1.233 105 D CA 0.401 54.412 54.000 0.018 0.000 0.881 105 D CB 0.731 41.536 40.800 0.008 0.000 1.212 105 D HN 0.218 nan 8.370 nan 0.000 0.467 106 K N 1.409 121.851 120.400 0.071 0.000 2.400 106 K HA 0.187 4.512 4.320 0.009 0.000 0.194 106 K C 0.773 177.495 176.600 0.203 0.000 1.033 106 K CA 0.690 57.055 56.287 0.130 0.000 1.021 106 K CB -0.333 32.242 32.500 0.125 0.000 0.808 106 K HN 0.678 nan 8.250 nan 0.000 0.505 107 G N 2.219 111.101 108.800 0.136 0.000 2.415 107 G HA2 -0.231 3.734 3.960 0.009 0.000 0.283 107 G HA3 -0.231 3.734 3.960 0.009 0.000 0.283 107 G C 0.140 175.068 174.900 0.048 0.000 1.014 107 G CA 0.673 45.849 45.100 0.127 0.000 1.323 107 G HN 0.421 nan 8.290 nan 0.000 0.502 108 L N -0.711 120.510 121.223 -0.004 0.000 1.589 108 L HA 0.215 4.561 4.340 0.009 0.000 0.161 108 L C 2.020 178.822 176.870 -0.113 0.000 1.300 108 L CA 0.792 55.549 54.840 -0.139 0.000 1.196 108 L CB -0.752 41.233 42.059 -0.123 0.000 2.497 108 L HN 0.390 nan 8.230 nan 0.000 0.492 109 Y N 1.759 121.971 120.300 -0.147 0.000 2.096 109 Y HA -0.293 4.263 4.550 0.010 0.000 0.276 109 Y C 1.851 177.651 175.900 -0.167 0.000 1.209 109 Y CA 2.647 60.659 58.100 -0.146 0.000 1.137 109 Y CB -0.697 37.711 38.460 -0.087 0.000 0.956 109 Y HN 0.283 nan 8.280 nan 0.000 0.506 110 G N -0.701 108.199 108.800 0.168 0.000 2.572 110 G HA2 -0.153 3.812 3.960 0.009 0.000 0.216 110 G HA3 -0.153 3.812 3.960 0.009 0.000 0.216 110 G C 1.327 176.170 174.900 -0.094 0.000 1.133 110 G CA 0.229 45.371 45.100 0.070 0.000 0.791 110 G HN 0.381 nan 8.290 nan 0.000 0.538 111 K N -0.219 120.072 120.400 -0.183 0.000 2.665 111 K HA 0.281 4.606 4.320 0.009 0.000 0.214 111 K C -0.999 175.302 176.600 -0.498 0.000 1.032 111 K CA -0.025 56.112 56.287 -0.251 0.000 1.198 111 K CB 0.053 32.415 32.500 -0.231 0.000 0.941 111 K HN 0.151 nan 8.250 nan 0.000 0.491 112 L N 0.832 121.775 121.223 -0.468 0.000 2.596 112 L HA 0.197 4.543 4.340 0.009 0.000 0.265 112 L C -0.192 176.465 176.870 -0.355 0.000 0.962 112 L CA -0.770 53.734 54.840 -0.559 0.000 0.891 112 L CB 1.403 42.997 42.059 -0.775 0.000 1.248 112 L HN -0.172 nan 8.230 nan 0.000 0.410 113 K N 1.169 121.421 120.400 -0.246 0.000 2.323 113 K HA 0.379 4.705 4.320 0.009 0.000 0.259 113 K C 0.396 176.866 176.600 -0.218 0.000 0.993 113 K CA 0.136 56.301 56.287 -0.204 0.000 0.866 113 K CB 0.469 32.843 32.500 -0.210 0.000 0.997 113 K HN 0.703 nan 8.250 nan 0.000 0.524 114 A N -0.242 122.475 122.820 -0.171 0.000 2.332 114 A HA 0.529 4.855 4.320 0.009 0.000 0.258 114 A C 0.936 178.451 177.584 -0.115 0.000 1.087 114 A CA 0.688 52.632 52.037 -0.154 0.000 0.802 114 A CB 0.268 19.207 19.000 -0.102 0.000 1.042 114 A HN 0.813 nan 8.150 nan 0.000 0.489 115 G N -0.880 107.860 108.800 -0.100 0.000 2.964 115 G HA2 0.031 3.997 3.960 0.009 0.000 0.229 115 G HA3 0.031 3.997 3.960 0.009 0.000 0.229 115 G C -0.372 174.496 174.900 -0.052 0.000 1.395 115 G CA -0.063 45.003 45.100 -0.056 0.000 1.060 115 G HN 1.714 nan 8.290 nan 0.000 0.568 116 V N 0.505 120.414 119.914 -0.010 0.000 2.588 116 V HA 0.671 4.796 4.120 0.009 0.000 0.304 116 V C 0.107 176.250 176.094 0.082 0.000 1.042 116 V CA -0.307 62.006 62.300 0.021 0.000 0.877 116 V CB 1.272 33.153 31.823 0.096 0.000 0.996 116 V HN 1.094 nan 8.190 nan 0.000 0.425 117 C N 3.363 122.686 119.300 0.040 0.000 2.889 117 C HA 0.825 5.290 4.460 0.009 0.000 0.307 117 C C -0.972 174.119 174.990 0.168 0.000 1.251 117 C CA -1.071 58.047 59.018 0.166 0.000 1.593 117 C CB 1.810 29.562 27.740 0.019 0.000 2.104 117 C HN 0.831 nan 8.230 nan 0.000 0.476 118 Y N -0.034 120.381 120.300 0.191 0.000 2.524 118 Y HA 0.637 5.193 4.550 0.010 0.000 0.347 118 Y C 0.041 176.046 175.900 0.175 0.000 1.005 118 Y CA -0.669 57.515 58.100 0.141 0.000 1.025 118 Y CB 1.800 40.217 38.460 -0.072 0.000 1.275 118 Y HN 0.805 nan 8.280 nan 0.000 0.460 119 A N 2.492 125.464 122.820 0.254 0.000 2.410 119 A HA 0.760 5.085 4.320 0.009 0.000 0.289 119 A C -1.715 175.876 177.584 0.012 0.000 1.200 119 A CA -0.531 51.570 52.037 0.106 0.000 0.751 119 A CB 0.426 19.548 19.000 0.204 0.000 1.161 119 A HN 0.443 nan 8.150 nan 0.000 0.459 120 V N 2.809 122.697 119.914 -0.044 0.000 2.815 120 V HA 0.577 4.702 4.120 0.009 0.000 0.314 120 V C -0.305 175.787 176.094 -0.003 0.000 1.064 120 V CA -0.617 61.671 62.300 -0.020 0.000 0.952 120 V CB 2.000 33.835 31.823 0.021 0.000 1.020 120 V HN 0.770 nan 8.190 nan 0.000 0.439 121 L N 2.757 124.011 121.223 0.052 0.000 2.372 121 L HA 0.499 4.844 4.340 0.009 0.000 0.273 121 L C -0.202 176.723 176.870 0.092 0.000 0.989 121 L CA -0.248 54.629 54.840 0.063 0.000 0.841 121 L CB 1.863 43.996 42.059 0.124 0.000 1.225 121 L HN 0.761 nan 8.230 nan 0.000 0.414 122 E N 3.053 123.318 120.200 0.108 0.000 2.044 122 E HA 0.310 4.665 4.350 0.009 0.000 0.282 122 E C -1.121 175.510 176.600 0.052 0.000 1.031 122 E CA -0.249 56.208 56.400 0.095 0.000 0.824 122 E CB 0.880 30.648 29.700 0.113 0.000 1.076 122 E HN 0.446 nan 8.360 nan 0.000 0.395 123 T N 2.981 117.510 114.554 -0.042 0.000 2.841 123 T HA 0.340 4.695 4.350 0.009 0.000 0.283 123 T C -0.610 174.018 174.700 -0.120 0.000 1.000 123 T CA -0.679 61.319 62.100 -0.170 0.000 0.977 123 T CB 1.617 70.256 68.868 -0.381 0.000 0.979 123 T HN 0.186 nan 8.240 nan 0.000 0.446 124 V N 3.814 123.664 119.914 -0.106 0.000 2.311 124 V HA 0.272 4.398 4.120 0.009 0.000 0.275 124 V C 0.780 176.814 176.094 -0.100 0.000 1.022 124 V CA -1.011 61.244 62.300 -0.074 0.000 0.830 124 V CB 0.491 32.298 31.823 -0.028 0.000 1.012 124 V HN 0.863 nan 8.190 nan 0.000 0.452 125 N N 2.388 121.020 118.700 -0.113 0.000 2.239 125 N HA -0.076 4.669 4.740 0.009 0.000 0.225 125 N C 1.247 176.700 175.510 -0.095 0.000 1.283 125 N CA 0.331 53.306 53.050 -0.126 0.000 0.868 125 N CB 0.395 38.806 38.487 -0.126 0.000 1.098 125 N HN 0.654 nan 8.380 nan 0.000 0.436 126 S N 0.653 116.292 115.700 -0.101 0.000 2.447 126 S HA -0.067 4.408 4.470 0.009 0.000 0.233 126 S C 1.205 175.769 174.600 -0.061 0.000 1.006 126 S CA 0.990 59.145 58.200 -0.076 0.000 0.957 126 S CB -0.013 63.138 63.200 -0.082 0.000 0.773 126 S HN 0.470 nan 8.310 nan 0.000 0.507 127 R N 0.833 121.292 120.500 -0.067 0.000 2.310 127 R HA 0.381 4.727 4.340 0.009 0.000 0.202 127 R C 1.054 177.330 176.300 -0.040 0.000 0.933 127 R CA 0.526 56.594 56.100 -0.052 0.000 1.054 127 R CB -0.079 30.186 30.300 -0.058 0.000 0.985 127 R HN 0.282 nan 8.270 nan 0.000 0.489 128 A N 0.715 123.510 122.820 -0.042 0.000 3.028 128 A HA -0.236 4.090 4.320 0.009 0.000 0.248 128 A C 0.040 177.608 177.584 -0.027 0.000 1.316 128 A CA 0.692 52.711 52.037 -0.029 0.000 1.003 128 A CB -1.727 17.263 19.000 -0.017 0.000 1.148 128 A HN 0.485 nan 8.150 nan 0.000 0.828 129 Q N -0.305 119.471 119.800 -0.041 0.000 2.296 129 Q HA 0.282 4.627 4.340 0.009 0.000 0.263 129 Q C 0.448 176.428 176.000 -0.034 0.000 1.026 129 Q CA -0.236 55.546 55.803 -0.035 0.000 0.912 129 Q CB 0.632 29.340 28.738 -0.050 0.000 1.198 129 Q HN 0.493 nan 8.270 nan 0.000 0.407 130 R N 4.158 124.653 120.500 -0.009 0.000 2.345 130 R HA 0.160 4.505 4.340 0.009 0.000 0.331 130 R C -0.854 175.453 176.300 0.012 0.000 1.067 130 R CA 0.150 56.252 56.100 0.003 0.000 0.962 130 R CB 0.035 30.347 30.300 0.020 0.000 0.987 130 R HN 0.563 nan 8.270 nan 0.000 0.451 131 I N 6.343 126.909 120.570 -0.007 0.000 2.441 131 I HA 0.307 4.483 4.170 0.009 0.000 0.295 131 I C -0.072 176.077 176.117 0.054 0.000 0.994 131 I CA -0.857 60.450 61.300 0.012 0.000 1.144 131 I CB 2.013 39.964 38.000 -0.081 0.000 1.314 131 I HN 0.520 nan 8.210 nan 0.000 0.445 132 I N 5.359 126.011 120.570 0.136 0.000 2.390 132 I HA 0.216 4.391 4.170 0.009 0.000 0.283 132 I C -0.126 176.119 176.117 0.215 0.000 1.016 132 I CA -0.413 60.994 61.300 0.179 0.000 1.151 132 I CB 1.593 39.736 38.000 0.238 0.000 1.293 132 I HN 0.549 nan 8.210 nan 0.000 0.458 133 T N 2.038 116.686 114.554 0.156 0.000 2.749 133 T HA 0.780 5.136 4.350 0.009 0.000 0.287 133 T C 0.104 174.861 174.700 0.094 0.000 0.970 133 T CA -0.668 61.542 62.100 0.184 0.000 0.980 133 T CB 1.874 70.816 68.868 0.124 0.000 0.924 133 T HN 0.682 nan 8.240 nan 0.000 0.456 134 G N 1.061 109.756 108.800 -0.175 0.000 3.022 134 G HA2 0.733 4.699 3.960 0.009 0.000 0.284 134 G HA3 0.733 4.699 3.960 0.009 0.000 0.284 134 G C -1.581 172.915 174.900 -0.673 0.000 1.375 134 G CA -1.026 43.700 45.100 -0.623 0.000 0.902 134 G HN 0.910 nan 8.290 nan 0.000 0.538 135 V N -0.262 119.398 119.914 -0.423 0.000 2.924 135 V HA 0.519 4.645 4.120 0.009 0.000 0.300 135 V C -0.592 175.611 176.094 0.181 0.000 1.227 135 V CA -0.946 61.323 62.300 -0.052 0.000 0.954 135 V CB 1.971 33.769 31.823 -0.041 0.000 1.055 135 V HN 0.847 nan 8.190 nan 0.000 0.429 136 R N 3.100 123.681 120.500 0.135 0.000 2.265 136 R HA 0.698 5.043 4.340 0.009 0.000 0.319 136 R C -1.942 174.297 176.300 -0.101 0.000 1.006 136 R CA -0.583 55.410 56.100 -0.178 0.000 0.880 136 R CB 1.147 31.253 30.300 -0.323 0.000 1.077 136 R HN 0.545 nan 8.270 nan 0.000 0.454 137 L N 3.758 124.922 121.223 -0.100 0.000 2.322 137 L HA 0.468 4.814 4.340 0.009 0.000 0.281 137 L C -0.285 176.499 176.870 -0.143 0.000 1.014 137 L CA -0.155 54.632 54.840 -0.089 0.000 0.815 137 L CB 1.631 43.653 42.059 -0.062 0.000 1.247 137 L HN 0.654 nan 8.230 nan 0.000 0.421 138 Q N 1.672 121.383 119.800 -0.148 0.000 2.377 138 Q HA 0.425 4.771 4.340 0.009 0.000 0.279 138 Q C -1.575 174.311 176.000 -0.190 0.000 1.049 138 Q CA -0.765 54.941 55.803 -0.162 0.000 0.825 138 Q CB 2.036 30.706 28.738 -0.113 0.000 1.401 138 Q HN 0.587 nan 8.270 nan 0.000 0.404 139 Q N 3.314 122.960 119.800 -0.256 0.000 2.307 139 Q HA 0.215 4.560 4.340 0.009 0.000 0.259 139 Q C 0.343 176.281 176.000 -0.105 0.000 0.998 139 Q CA -0.425 55.184 55.803 -0.324 0.000 0.923 139 Q CB 0.749 29.138 28.738 -0.582 0.000 1.196 139 Q HN 0.483 nan 8.270 nan 0.000 0.416 140 I N 1.426 122.002 120.570 0.010 0.000 3.434 140 I HA -0.112 4.064 4.170 0.009 0.000 0.212 140 I C 0.932 177.097 176.117 0.080 0.000 1.348 140 I CA 0.034 61.367 61.300 0.055 0.000 0.948 140 I CB -0.478 37.573 38.000 0.085 0.000 1.607 140 I HN 0.648 nan 8.210 nan 0.000 0.907 141 A N 2.165 125.020 122.820 0.058 0.000 3.052 141 A HA 0.241 4.566 4.320 0.009 0.000 0.285 141 A C 1.288 178.916 177.584 0.074 0.000 1.928 141 A CA 0.283 52.350 52.037 0.049 0.000 1.453 141 A CB -1.765 17.251 19.000 0.028 0.000 0.970 141 A HN 0.945 nan 8.150 nan 0.000 0.603 142 G N 1.747 110.621 108.800 0.123 0.000 2.262 142 G HA2 -0.056 3.910 3.960 0.009 0.000 0.290 142 G HA3 -0.056 3.910 3.960 0.009 0.000 0.290 142 G C 0.968 175.895 174.900 0.045 0.000 0.553 142 G CA 0.799 45.998 45.100 0.165 0.000 2.010 142 G HN 1.049 nan 8.290 nan 0.000 0.519 143 R N -0.622 119.876 120.500 -0.003 0.000 2.428 143 R HA 0.285 4.631 4.340 0.009 0.000 0.193 143 R C 1.012 177.259 176.300 -0.090 0.000 0.852 143 R CA 0.327 56.404 56.100 -0.038 0.000 1.055 143 R CB 0.223 30.513 30.300 -0.017 0.000 1.343 143 R HN 0.308 nan 8.270 nan 0.000 0.655 144 D N 0.326 120.669 120.400 -0.094 0.000 2.359 144 D HA 0.236 4.881 4.640 0.009 0.000 0.284 144 D C 0.264 176.387 176.300 -0.295 0.000 1.176 144 D CA 0.162 54.085 54.000 -0.128 0.000 1.011 144 D CB 0.675 41.437 40.800 -0.064 0.000 1.010 144 D HN 0.065 nan 8.370 nan 0.000 0.333 145 K N -0.926 119.303 120.400 -0.285 0.000 2.659 145 K HA 0.096 4.421 4.320 0.009 0.000 0.161 145 K C -0.614 175.970 176.600 -0.025 0.000 1.250 145 K CA -0.140 55.809 56.287 -0.562 0.000 1.148 145 K CB 0.819 33.064 32.500 -0.425 0.000 1.018 145 K HN 0.097 nan 8.250 nan 0.000 0.487 146 K N 1.129 121.582 120.400 0.089 0.000 2.120 146 K HA 0.445 4.771 4.320 0.009 0.000 0.245 146 K C -0.473 176.262 176.600 0.224 0.000 1.024 146 K CA -0.287 56.081 56.287 0.135 0.000 0.906 146 K CB 1.042 33.581 32.500 0.066 0.000 1.051 146 K HN -0.190 nan 8.250 nan 0.000 0.491 147 V N 1.295 121.271 119.914 0.103 0.000 2.971 147 V HA 0.130 4.256 4.120 0.009 0.000 0.309 147 V C -1.284 174.809 176.094 -0.002 0.000 1.130 147 V CA -1.013 61.300 62.300 0.021 0.000 0.964 147 V CB 1.948 33.745 31.823 -0.042 0.000 1.029 147 V HN 0.857 nan 8.190 nan 0.000 0.427 148 D N 2.513 122.895 120.400 -0.030 0.000 2.225 148 D HA 0.626 5.271 4.640 0.009 0.000 0.248 148 D C -0.821 175.461 176.300 -0.031 0.000 1.096 148 D CA 0.131 54.116 54.000 -0.024 0.000 0.863 148 D CB 0.964 41.748 40.800 -0.027 0.000 1.156 148 D HN 0.450 nan 8.370 nan 0.000 0.450 149 I N 3.442 124.003 120.570 -0.014 0.000 2.647 149 I HA 0.458 4.633 4.170 0.009 0.000 0.295 149 I C -0.379 175.732 176.117 -0.009 0.000 1.078 149 I CA -0.883 60.410 61.300 -0.012 0.000 1.048 149 I CB 2.003 40.004 38.000 0.001 0.000 1.239 149 I HN 0.241 nan 8.210 nan 0.000 0.421 150 R N 5.431 125.931 120.500 0.000 0.000 2.695 150 R HA 0.323 4.669 4.340 0.009 0.000 0.288 150 R C -2.771 173.561 176.300 0.052 0.000 1.344 150 R CA -1.529 54.585 56.100 0.023 0.000 1.005 150 R CB 2.125 32.451 30.300 0.044 0.000 1.233 150 R HN 0.205 nan 8.270 nan 0.000 0.442 151 P HA -0.005 nan 4.420 nan 0.000 0.265 151 P C -1.121 176.283 177.300 0.173 0.000 1.193 151 P CA 0.248 63.190 63.100 -0.264 0.000 0.765 151 P CB 0.329 31.487 31.700 -0.903 0.000 0.823 152 F N -0.132 119.929 119.950 0.185 0.000 2.626 152 F HA 0.807 5.338 4.527 0.007 0.000 0.311 152 F C -1.079 174.937 175.800 0.361 0.000 1.088 152 F CA -1.181 56.923 58.000 0.173 0.000 0.949 152 F CB 1.357 40.448 39.000 0.151 0.000 1.322 152 F HN 0.300 nan 8.300 nan 0.000 0.461 153 S N 2.166 118.098 115.700 0.387 0.000 2.540 153 S HA 0.802 5.277 4.470 0.009 0.000 0.275 153 S C -1.745 173.062 174.600 0.345 0.000 1.123 153 S CA -0.854 57.553 58.200 0.344 0.000 0.907 153 S CB 1.700 65.088 63.200 0.313 0.000 1.081 153 S HN 0.907 nan 8.310 nan 0.000 0.476 154 L N 2.424 123.868 121.223 0.368 0.000 2.342 154 L HA 0.547 4.892 4.340 0.009 0.000 0.276 154 L C -0.095 176.884 176.870 0.182 0.000 0.997 154 L CA -0.382 54.594 54.840 0.226 0.000 0.838 154 L CB 1.693 43.832 42.059 0.135 0.000 1.224 154 L HN 0.783 nan 8.230 nan 0.000 0.416 155 Q N 2.733 122.634 119.800 0.168 0.000 2.241 155 Q HA 0.342 4.687 4.340 0.009 0.000 0.262 155 Q C 0.223 176.288 176.000 0.108 0.000 1.014 155 Q CA -0.457 55.452 55.803 0.176 0.000 0.885 155 Q CB 1.336 30.237 28.738 0.271 0.000 1.311 155 Q HN 0.620 nan 8.270 nan 0.000 0.461 156 N N -0.646 118.108 118.700 0.089 0.000 2.900 156 N HA -0.180 4.566 4.740 0.009 0.000 0.240 156 N C -0.580 174.965 175.510 0.059 0.000 0.953 156 N CA 0.831 53.920 53.050 0.066 0.000 0.950 156 N CB -1.655 36.874 38.487 0.071 0.000 1.102 156 N HN 0.334 nan 8.380 nan 0.000 0.593 157 V N 2.300 122.246 119.914 0.054 0.000 2.752 157 V HA -0.017 4.108 4.120 0.009 0.000 0.306 157 V C -1.348 174.772 176.094 0.043 0.000 1.099 157 V CA -0.223 62.102 62.300 0.042 0.000 1.240 157 V CB -0.135 31.695 31.823 0.013 0.000 0.887 157 V HN 0.055 nan 8.190 nan 0.000 0.499 158 P HA 0.014 nan 4.420 nan 0.000 0.267 158 P C 0.648 177.967 177.300 0.030 0.000 1.195 158 P CA 0.058 63.181 63.100 0.038 0.000 0.773 158 P CB 0.282 32.006 31.700 0.040 0.000 0.837 159 M N 0.942 120.558 119.600 0.026 0.000 2.628 159 M HA 0.006 4.491 4.480 0.009 0.000 0.232 159 M C 0.032 176.345 176.300 0.022 0.000 1.128 159 M CA 1.184 56.499 55.300 0.024 0.000 1.040 159 M CB -0.696 31.917 32.600 0.020 0.000 1.608 159 M HN 0.268 nan 8.290 nan 0.000 0.507 160 T N -0.949 113.617 114.554 0.021 0.000 3.672 160 T HA 0.188 4.543 4.350 0.009 0.000 0.296 160 T C -1.040 173.669 174.700 0.016 0.000 0.979 160 T CA -0.411 61.699 62.100 0.018 0.000 1.013 160 T CB 0.349 69.226 68.868 0.014 0.000 1.184 160 T HN 0.085 nan 8.240 nan 0.000 0.477 161 D N 1.517 121.928 120.400 0.018 0.000 2.408 161 D HA 0.348 4.993 4.640 0.009 0.000 0.243 161 D C -0.082 176.224 176.300 0.010 0.000 1.075 161 D CA -0.241 53.767 54.000 0.014 0.000 0.832 161 D CB 1.535 42.347 40.800 0.019 0.000 1.162 161 D HN 0.024 nan 8.370 nan 0.000 0.515 162 S N 1.779 117.485 115.700 0.010 0.000 3.106 162 S HA -0.073 4.402 4.470 0.009 0.000 0.363 162 S C 1.579 176.189 174.600 0.017 0.000 1.191 162 S CA -0.455 57.755 58.200 0.017 0.000 1.191 162 S CB -0.089 63.121 63.200 0.017 0.000 0.884 162 S HN 0.336 nan 8.310 nan 0.000 0.526 163 V N 7.414 127.354 119.914 0.044 0.000 2.527 163 V HA -0.250 3.875 4.120 0.009 0.000 0.255 163 V C 2.027 178.217 176.094 0.160 0.000 1.081 163 V CA 2.210 64.562 62.300 0.086 0.000 1.092 163 V CB -0.875 31.034 31.823 0.144 0.000 0.673 163 V HN 0.897 nan 8.190 nan 0.000 0.470 164 I N -0.536 120.117 120.570 0.138 0.000 2.277 164 I HA -0.154 4.021 4.170 0.009 0.000 0.243 164 I C 2.643 178.831 176.117 0.119 0.000 1.094 164 I CA 1.463 62.871 61.300 0.180 0.000 1.393 164 I CB -0.498 37.564 38.000 0.104 0.000 1.078 164 I HN 0.227 nan 8.210 nan 0.000 0.417 165 S N 0.990 116.713 115.700 0.038 0.000 2.400 165 S HA -0.079 4.397 4.470 0.009 0.000 0.232 165 S C 1.942 176.504 174.600 -0.063 0.000 1.025 165 S CA 1.040 59.242 58.200 0.003 0.000 0.993 165 S CB -0.340 62.860 63.200 0.000 0.000 0.808 165 S HN 0.306 nan 8.310 nan 0.000 0.478 166 L N -0.287 120.821 121.223 -0.192 0.000 2.551 166 L HA -0.072 4.273 4.340 0.009 0.000 0.230 166 L C 0.536 176.934 176.870 -0.786 0.000 1.163 166 L CA 0.924 55.484 54.840 -0.466 0.000 0.826 166 L CB -0.379 41.236 42.059 -0.740 0.000 0.943 166 L HN 0.367 nan 8.230 nan 0.000 0.452 167 F N -1.907 117.996 119.950 -0.078 0.000 2.880 167 F HA 0.155 4.691 4.527 0.015 0.000 0.328 167 F C 0.826 176.503 175.800 -0.205 0.000 1.146 167 F CA -0.578 57.268 58.000 -0.257 0.000 1.135 167 F CB 0.276 38.941 39.000 -0.558 0.000 1.151 167 F HN -0.138 nan 8.300 nan 0.000 0.523 168 T N -2.516 112.054 114.554 0.027 0.000 2.906 168 T HA 0.691 5.046 4.350 0.009 0.000 0.295 168 T C -0.784 173.925 174.700 0.016 0.000 1.075 168 T CA -0.650 61.468 62.100 0.031 0.000 1.005 168 T CB 2.803 71.704 68.868 0.055 0.000 1.136 168 T HN 0.084 nan 8.240 nan 0.000 0.498 169 E N 1.378 121.590 120.200 0.019 0.000 2.244 169 E HA 0.270 4.626 4.350 0.009 0.000 0.260 169 E C -0.561 176.049 176.600 0.016 0.000 0.884 169 E CA -0.665 55.739 56.400 0.006 0.000 0.777 169 E CB 2.157 31.856 29.700 -0.001 0.000 1.197 169 E HN 0.578 nan 8.360 nan 0.000 0.416 170 Q N 1.020 120.826 119.800 0.010 0.000 2.317 170 Q HA 0.313 4.658 4.340 0.009 0.000 0.229 170 Q C 0.330 176.334 176.000 0.007 0.000 0.984 170 Q CA -0.293 55.518 55.803 0.013 0.000 0.911 170 Q CB 1.861 30.604 28.738 0.008 0.000 1.217 170 Q HN 0.338 nan 8.270 nan 0.000 0.501 171 V N -1.168 118.751 119.914 0.008 0.000 3.165 171 V HA 0.425 4.550 4.120 0.009 0.000 0.231 171 V C -0.269 175.824 176.094 -0.002 0.000 1.365 171 V CA 0.809 63.111 62.300 0.004 0.000 1.286 171 V CB 1.125 32.953 31.823 0.009 0.000 1.081 171 V HN 0.846 nan 8.190 nan 0.000 0.477 177 V N 4.368 124.341 119.914 0.098 0.000 2.953 177 V HA 0.456 4.582 4.120 0.009 0.000 0.304 177 V C 0.222 176.370 176.094 0.091 0.000 1.073 177 V CA -0.542 61.812 62.300 0.090 0.000 1.064 177 V CB 1.179 33.086 31.823 0.139 0.000 1.047 177 V HN 0.595 nan 8.190 nan 0.000 0.478 178 L N 0.450 121.726 121.223 0.088 0.000 2.362 178 L HA 0.752 5.098 4.340 0.009 0.000 0.271 178 L C 0.080 177.032 176.870 0.137 0.000 1.002 178 L CA -0.430 54.459 54.840 0.082 0.000 0.818 178 L CB 1.835 43.915 42.059 0.034 0.000 1.298 178 L HN 0.457 nan 8.230 nan 0.000 0.420 179 S N 1.482 117.233 115.700 0.086 0.000 2.580 179 S HA 0.194 4.669 4.470 0.009 0.000 0.261 179 S C 1.406 176.021 174.600 0.024 0.000 1.366 179 S CA -0.439 57.801 58.200 0.067 0.000 0.996 179 S CB 0.605 63.824 63.200 0.031 0.000 0.902 179 S HN 0.666 nan 8.310 nan 0.000 0.566 180 L N 1.629 122.852 121.223 -0.001 0.000 2.012 180 L HA -0.182 4.163 4.340 0.009 0.000 0.210 180 L C 2.665 179.477 176.870 -0.097 0.000 1.073 180 L CA 1.319 56.126 54.840 -0.055 0.000 0.748 180 L CB -0.799 41.347 42.059 0.145 0.000 0.891 180 L HN 0.698 nan 8.230 nan 0.000 0.431 181 N N 0.563 119.276 118.700 0.023 0.000 2.060 181 N HA -0.266 4.480 4.740 0.009 0.000 0.195 181 N C 1.412 176.907 175.510 -0.025 0.000 1.028 181 N CA 2.253 55.325 53.050 0.038 0.000 0.861 181 N CB -0.204 38.305 38.487 0.037 0.000 1.029 181 N HN 0.357 nan 8.380 nan 0.000 0.428 182 D N 0.926 121.298 120.400 -0.046 0.000 2.104 182 D HA -0.150 4.496 4.640 0.009 0.000 0.194 182 D C 2.236 178.479 176.300 -0.095 0.000 0.994 182 D CA 0.776 54.746 54.000 -0.051 0.000 0.830 182 D CB -0.369 40.416 40.800 -0.026 0.000 0.959 182 D HN 0.357 nan 8.370 nan 0.000 0.452 183 L N 0.828 121.911 121.223 -0.235 0.000 2.042 183 L HA -0.210 4.135 4.340 0.009 0.000 0.210 183 L C 2.608 179.320 176.870 -0.263 0.000 1.076 183 L CA 1.252 55.884 54.840 -0.347 0.000 0.749 183 L CB -0.428 41.028 42.059 -1.005 0.000 0.893 183 L HN 0.030 nan 8.230 nan 0.000 0.432 184 K N 0.675 120.870 120.400 -0.342 0.000 2.009 184 K HA -0.243 4.083 4.320 0.009 0.000 0.210 184 K C 1.893 178.567 176.600 0.123 0.000 1.049 184 K CA 2.001 58.373 56.287 0.142 0.000 0.929 184 K CB -0.086 32.582 32.500 0.281 0.000 0.714 184 K HN 0.329 nan 8.250 nan 0.000 0.440 185 E N 0.112 120.339 120.200 0.046 0.000 2.208 185 E HA -0.149 4.206 4.350 0.009 0.000 0.193 185 E C 1.859 178.439 176.600 -0.033 0.000 0.988 185 E CA 0.737 57.147 56.400 0.018 0.000 0.828 185 E CB 0.113 29.812 29.700 -0.002 0.000 0.763 185 E HN 0.285 nan 8.360 nan 0.000 0.478 186 K N -0.029 120.334 120.400 -0.062 0.000 2.366 186 K HA -0.047 4.279 4.320 0.009 0.000 0.198 186 K C 0.398 176.664 176.600 -0.557 0.000 1.044 186 K CA 0.760 56.870 56.287 -0.295 0.000 0.973 186 K CB 0.275 32.561 32.500 -0.358 0.000 0.767 186 K HN 0.054 nan 8.250 nan 0.000 0.475 187 F N -0.158 119.763 119.950 -0.049 0.000 2.781 187 F HA 0.184 4.712 4.527 0.002 0.000 0.322 187 F C 1.399 177.214 175.800 0.025 0.000 1.108 187 F CA -0.546 57.448 58.000 -0.010 0.000 1.179 187 F CB 0.404 39.405 39.000 0.002 0.000 1.072 187 F HN -0.018 nan 8.300 nan 0.000 0.545 188 E N 2.106 122.394 120.200 0.148 0.000 2.019 188 E HA -0.249 4.106 4.350 0.009 0.000 0.208 188 E C 0.549 177.199 176.600 0.083 0.000 1.030 188 E CA 1.724 58.191 56.400 0.112 0.000 0.856 188 E CB -0.204 29.535 29.700 0.066 0.000 0.781 188 E HN 0.371 nan 8.360 nan 0.000 0.471 189 E N 0.406 120.630 120.200 0.041 0.000 1.932 189 E HA 0.215 4.570 4.350 0.009 0.000 0.259 189 E C -1.130 175.484 176.600 0.023 0.000 1.099 189 E CA -0.092 56.326 56.400 0.029 0.000 0.970 189 E CB 0.231 29.936 29.700 0.008 0.000 1.143 189 E HN 0.209 nan 8.360 nan 0.000 0.441 190 T N -0.335 114.254 114.554 0.059 0.000 2.665 190 T HA 0.292 4.647 4.350 0.009 0.000 0.303 190 T C 0.206 174.962 174.700 0.093 0.000 1.334 190 T CA -0.458 61.683 62.100 0.068 0.000 1.011 190 T CB 1.086 70.011 68.868 0.094 0.000 1.573 190 T HN 0.172 nan 8.240 nan 0.000 0.492 191 A N 0.296 123.175 122.820 0.097 0.000 2.278 191 A HA 0.569 4.894 4.320 0.009 0.000 0.212 191 A C 0.409 178.059 177.584 0.110 0.000 1.213 191 A CA 0.250 52.340 52.037 0.088 0.000 0.840 191 A CB -0.360 18.680 19.000 0.068 0.000 0.866 191 A HN 0.475 nan 8.150 nan 0.000 0.489 192 V N -1.071 118.938 119.914 0.159 0.000 3.046 192 V HA 0.555 4.681 4.120 0.009 0.000 0.316 192 V C -0.282 175.894 176.094 0.137 0.000 1.104 192 V CA -0.521 61.862 62.300 0.138 0.000 1.006 192 V CB 2.123 34.026 31.823 0.134 0.000 1.058 192 V HN 0.164 nan 8.190 nan 0.000 0.440 193 T N 2.606 117.218 114.554 0.097 0.000 2.906 193 T HA 0.372 4.727 4.350 0.009 0.000 0.302 193 T C -0.869 173.883 174.700 0.088 0.000 1.002 193 T CA -0.059 62.097 62.100 0.093 0.000 0.988 193 T CB 0.631 69.532 68.868 0.055 0.000 0.972 193 T HN 0.472 nan 8.240 nan 0.000 0.447 194 F N 4.393 124.319 119.950 -0.041 0.000 2.423 194 F HA 0.484 5.014 4.527 0.006 0.000 0.356 194 F C 0.319 176.068 175.800 -0.085 0.000 1.170 194 F CA -0.937 57.031 58.000 -0.053 0.000 1.163 194 F CB 0.172 39.139 39.000 -0.055 0.000 1.318 194 F HN 0.323 nan 8.300 nan 0.000 0.569 195 K N 9.154 129.212 120.400 -0.571 0.000 2.367 195 K HA 0.455 4.780 4.320 0.009 0.000 0.263 195 K C -2.768 173.165 176.600 -1.112 0.000 1.000 195 K CA -2.241 53.592 56.287 -0.757 0.000 0.891 195 K CB 1.218 33.364 32.500 -0.590 0.000 1.117 195 K HN 0.305 nan 8.250 nan 0.000 0.443 196 P HA 0.122 nan 4.420 nan 0.000 0.276 196 P C -1.263 175.535 177.300 -0.836 0.000 1.261 196 P CA -0.261 62.387 63.100 -0.753 0.000 0.800 196 P CB 0.607 32.049 31.700 -0.431 0.000 1.066 197 Y N -1.567 118.709 120.300 -0.039 0.000 2.406 197 Y HA 0.283 4.838 4.550 0.008 0.000 0.340 197 Y C 1.851 177.811 175.900 0.101 0.000 0.975 197 Y CA -0.317 57.776 58.100 -0.011 0.000 1.056 197 Y CB 1.290 39.767 38.460 0.028 0.000 1.210 197 Y HN 0.453 nan 8.280 nan 0.000 0.448 198 H N 0.374 119.523 119.070 0.132 0.000 2.423 198 H HA -0.013 4.549 4.556 0.010 0.000 0.297 198 H C 0.482 175.850 175.328 0.066 0.000 1.075 198 H CA 1.057 57.146 56.048 0.069 0.000 1.342 198 H CB 0.651 30.443 29.762 0.049 0.000 1.395 198 H HN 0.387 nan 8.280 nan 0.000 0.530 199 S N -0.954 114.871 115.700 0.210 0.000 2.569 199 S HA 0.167 4.642 4.470 0.009 0.000 0.280 199 S C 0.644 175.281 174.600 0.061 0.000 1.111 199 S CA -0.749 57.515 58.200 0.107 0.000 0.887 199 S CB 1.704 64.952 63.200 0.079 0.000 1.095 199 S HN 0.130 nan 8.310 nan 0.000 0.476 200 I N 3.569 124.141 120.570 0.004 0.000 2.286 200 I HA -0.080 4.096 4.170 0.009 0.000 0.248 200 I C 2.116 178.164 176.117 -0.114 0.000 1.115 200 I CA 2.201 63.457 61.300 -0.072 0.000 1.392 200 I CB -0.603 37.340 38.000 -0.094 0.000 1.065 200 I HN 0.847 nan 8.210 nan 0.000 0.418 201 T N 0.361 114.881 114.554 -0.056 0.000 2.778 201 T HA -0.179 4.177 4.350 0.009 0.000 0.269 201 T C 1.543 176.214 174.700 -0.048 0.000 1.050 201 T CA 1.713 63.788 62.100 -0.041 0.000 1.137 201 T CB -0.382 68.482 68.868 -0.007 0.000 0.860 201 T HN 0.437 nan 8.240 nan 0.000 0.468 202 D N -0.376 119.990 120.400 -0.056 0.000 2.213 202 D HA -0.004 4.642 4.640 0.009 0.000 0.205 202 D C 1.698 177.791 176.300 -0.346 0.000 0.961 202 D CA 0.522 54.448 54.000 -0.124 0.000 0.853 202 D CB -0.210 40.567 40.800 -0.038 0.000 0.967 202 D HN 0.357 nan 8.370 nan 0.000 0.496 203 Y N 2.061 122.062 120.300 -0.498 0.000 2.036 203 Y HA -0.277 4.278 4.550 0.009 0.000 0.273 203 Y C 2.359 178.159 175.900 -0.168 0.000 1.135 203 Y CA 1.890 59.669 58.100 -0.535 0.000 1.106 203 Y CB -0.860 37.423 38.460 -0.294 0.000 0.976 203 Y HN 0.122 nan 8.280 nan 0.000 0.483 204 H N -1.644 117.358 119.070 -0.113 0.000 2.353 204 H HA -0.218 4.343 4.556 0.008 0.000 0.298 204 H C 2.611 177.858 175.328 -0.135 0.000 1.103 204 H CA 1.130 57.082 56.048 -0.160 0.000 1.293 204 H CB -0.340 29.374 29.762 -0.081 0.000 1.372 204 H HN 0.361 nan 8.280 nan 0.000 0.501 205 S N 0.345 116.065 115.700 0.033 0.000 2.372 205 S HA -0.263 4.213 4.470 0.009 0.000 0.227 205 S C 1.921 176.544 174.600 0.038 0.000 1.044 205 S CA 1.593 59.817 58.200 0.040 0.000 1.050 205 S CB -0.516 62.693 63.200 0.016 0.000 0.901 205 S HN 0.430 nan 8.310 nan 0.000 0.447 206 F N 1.231 121.067 119.950 -0.189 0.000 2.333 206 F HA 0.030 4.560 4.527 0.006 0.000 0.300 206 F C 1.910 177.606 175.800 -0.173 0.000 1.083 206 F CA 1.396 59.287 58.000 -0.181 0.000 1.395 206 F CB -0.267 38.572 39.000 -0.269 0.000 1.056 206 F HN 0.274 nan 8.300 nan 0.000 0.529 207 M N -1.811 117.630 119.600 -0.265 0.000 2.257 207 M HA -0.039 4.446 4.480 0.009 0.000 0.260 207 M C 2.128 178.290 176.300 -0.231 0.000 1.102 207 M CA 1.145 56.254 55.300 -0.319 0.000 1.169 207 M CB -0.872 31.581 32.600 -0.244 0.000 1.323 207 M HN 0.159 nan 8.290 nan 0.000 0.447 208 F N 2.309 122.102 119.950 -0.262 0.000 2.063 208 F HA -0.309 4.224 4.527 0.010 0.000 0.298 208 F C 1.685 177.356 175.800 -0.214 0.000 1.109 208 F CA 2.105 59.963 58.000 -0.236 0.000 1.212 208 F CB -0.515 38.359 39.000 -0.209 0.000 0.973 208 F HN 0.159 nan 8.300 nan 0.000 0.480 209 D N 0.738 121.007 120.400 -0.219 0.000 2.120 209 D HA -0.246 4.400 4.640 0.009 0.000 0.191 209 D C 2.475 178.551 176.300 -0.374 0.000 0.994 209 D CA 2.153 55.977 54.000 -0.294 0.000 0.838 209 D CB -0.962 39.750 40.800 -0.147 0.000 0.976 209 D HN 0.333 nan 8.370 nan 0.000 0.447 210 L N -0.745 120.237 121.223 -0.401 0.000 2.129 210 L HA -0.088 4.257 4.340 0.009 0.000 0.212 210 L C 1.310 177.974 176.870 -0.344 0.000 1.087 210 L CA 1.365 55.969 54.840 -0.392 0.000 0.757 210 L CB -0.388 41.350 42.059 -0.533 0.000 0.896 210 L HN 0.354 nan 8.230 nan 0.000 0.434 211 G N -1.469 107.107 108.800 -0.374 0.000 2.462 211 G HA2 -0.123 3.843 3.960 0.009 0.000 0.124 211 G HA3 -0.123 3.843 3.960 0.009 0.000 0.124 211 G C -0.046 174.681 174.900 -0.290 0.000 1.062 211 G CA -0.265 44.635 45.100 -0.334 0.000 0.764 211 G HN 0.115 nan 8.290 nan 0.000 0.485 212 I N -0.317 120.087 120.570 -0.277 0.000 3.393 212 I HA 0.364 4.540 4.170 0.009 0.000 0.250 212 I C 1.239 177.280 176.117 -0.127 0.000 1.122 212 I CA -0.034 61.117 61.300 -0.248 0.000 1.484 212 I CB -0.302 37.543 38.000 -0.258 0.000 1.468 212 I HN 0.148 nan 8.210 nan 0.000 0.461 213 L N 4.207 125.363 121.223 -0.112 0.000 2.455 213 L HA 0.115 4.460 4.340 0.009 0.000 0.272 213 L C -1.259 175.590 176.870 -0.035 0.000 1.174 213 L CA -0.565 54.195 54.840 -0.133 0.000 0.869 213 L CB -0.056 41.849 42.059 -0.256 0.000 1.130 213 L HN 0.129 nan 8.230 nan 0.000 0.474 214 P HA -0.034 nan 4.420 nan 0.000 0.236 214 P C 0.176 177.423 177.300 -0.088 0.000 1.177 214 P CA 0.692 63.785 63.100 -0.013 0.000 0.773 214 P CB 0.746 32.489 31.700 0.072 0.000 0.878 215 K N -0.204 119.947 120.400 -0.415 0.000 2.435 215 K HA 0.316 4.641 4.320 0.009 0.000 0.251 215 K C -0.307 175.792 176.600 -0.835 0.000 0.954 215 K CA -0.938 54.953 56.287 -0.660 0.000 0.820 215 K CB 1.761 33.481 32.500 -1.301 0.000 1.292 215 K HN -0.411 nan 8.250 nan 0.000 0.436 216 R N 3.390 123.333 120.500 -0.928 0.000 2.605 216 R HA 0.129 4.474 4.340 0.009 0.000 0.271 216 R C -0.698 175.226 176.300 -0.626 0.000 1.418 216 R CA -0.213 55.236 56.100 -1.084 0.000 1.102 216 R CB -1.225 28.599 30.300 -0.793 0.000 1.131 216 R HN 0.374 nan 8.270 nan 0.000 0.554 217 L N 4.584 125.475 121.223 -0.554 0.000 2.407 217 L HA 0.160 4.505 4.340 0.009 0.000 0.282 217 L C 1.556 178.335 176.870 -0.153 0.000 1.110 217 L CA 0.614 55.275 54.840 -0.298 0.000 0.863 217 L CB 0.505 42.432 42.059 -0.219 0.000 1.207 217 L HN 0.343 nan 8.230 nan 0.000 0.454 218 R N 0.346 120.771 120.500 -0.125 0.000 2.428 218 R HA 0.234 4.579 4.340 0.009 0.000 0.193 218 R C 0.585 176.865 176.300 -0.033 0.000 0.852 218 R CA -0.021 56.032 56.100 -0.078 0.000 1.055 218 R CB 0.559 30.799 30.300 -0.100 0.000 1.343 218 R HN 0.562 nan 8.270 nan 0.000 0.655 219 S N -0.797 114.886 115.700 -0.029 0.000 2.739 219 S HA 0.289 4.764 4.470 0.009 0.000 0.306 219 S C 0.906 175.516 174.600 0.018 0.000 1.115 219 S CA -0.653 57.544 58.200 -0.005 0.000 0.985 219 S CB 1.743 64.937 63.200 -0.010 0.000 1.133 219 S HN 0.107 nan 8.310 nan 0.000 0.541 220 S N 1.411 117.124 115.700 0.022 0.000 2.348 220 S HA -0.098 4.378 4.470 0.009 0.000 0.221 220 S C 2.112 176.740 174.600 0.047 0.000 1.033 220 S CA 1.588 59.810 58.200 0.036 0.000 1.010 220 S CB -0.886 62.328 63.200 0.024 0.000 0.891 220 S HN 0.728 nan 8.310 nan 0.000 0.442 221 S N 1.571 117.291 115.700 0.032 0.000 2.381 221 S HA -0.254 4.222 4.470 0.009 0.000 0.230 221 S C 1.411 176.047 174.600 0.059 0.000 1.052 221 S CA 2.035 60.257 58.200 0.037 0.000 1.068 221 S CB -0.795 62.413 63.200 0.015 0.000 0.918 221 S HN 0.489 nan 8.310 nan 0.000 0.448 222 D N 0.347 120.769 120.400 0.037 0.000 2.117 222 D HA -0.052 4.594 4.640 0.009 0.000 0.197 222 D C 2.346 178.695 176.300 0.080 0.000 0.987 222 D CA 1.065 55.078 54.000 0.022 0.000 0.829 222 D CB -0.192 40.571 40.800 -0.062 0.000 0.961 222 D HN 0.418 nan 8.370 nan 0.000 0.460 223 R N 0.139 120.710 120.500 0.118 0.000 2.075 223 R HA -0.073 4.273 4.340 0.009 0.000 0.232 223 R C 2.043 178.502 176.300 0.265 0.000 1.126 223 R CA 1.068 57.302 56.100 0.223 0.000 0.963 223 R CB -0.473 29.961 30.300 0.224 0.000 0.858 223 R HN 0.173 nan 8.270 nan 0.000 0.435 224 N N 1.276 120.087 118.700 0.185 0.000 2.021 224 N HA -0.224 4.521 4.740 0.009 0.000 0.198 224 N C 1.450 177.127 175.510 0.279 0.000 1.041 224 N CA 1.992 55.146 53.050 0.173 0.000 0.862 224 N CB 0.033 38.587 38.487 0.113 0.000 1.048 224 N HN 0.095 nan 8.380 nan 0.000 0.427 225 K N -0.834 119.760 120.400 0.323 0.000 2.020 225 K HA -0.204 4.122 4.320 0.009 0.000 0.212 225 K C 2.004 178.933 176.600 0.548 0.000 1.050 225 K CA 1.613 58.207 56.287 0.512 0.000 0.929 225 K CB -0.543 32.316 32.500 0.598 0.000 0.714 225 K HN 0.205 nan 8.250 nan 0.000 0.443 226 F N 1.080 121.193 119.950 0.271 0.000 2.091 226 F HA -0.296 4.236 4.527 0.009 0.000 0.299 226 F C 2.326 178.231 175.800 0.176 0.000 1.103 226 F CA 1.473 59.554 58.000 0.135 0.000 1.228 226 F CB -0.749 38.191 39.000 -0.101 0.000 0.984 226 F HN 0.088 nan 8.300 nan 0.000 0.477 227 Y N 0.956 121.261 120.300 0.008 0.000 2.145 227 Y HA -0.207 4.349 4.550 0.009 0.000 0.286 227 Y C 2.474 178.325 175.900 -0.081 0.000 1.145 227 Y CA 2.279 60.315 58.100 -0.107 0.000 1.148 227 Y CB -0.799 37.661 38.460 0.001 0.000 0.981 227 Y HN -0.028 nan 8.280 nan 0.000 0.507 228 K N 0.515 121.114 120.400 0.331 0.000 2.173 228 K HA -0.211 4.115 4.320 0.009 0.000 0.207 228 K C 2.177 178.784 176.600 0.012 0.000 1.046 228 K CA 1.684 58.093 56.287 0.203 0.000 0.929 228 K CB -0.634 31.993 32.500 0.211 0.000 0.720 228 K HN 0.566 nan 8.250 nan 0.000 0.453 229 L N -0.326 120.900 121.223 0.005 0.000 2.162 229 L HA 0.053 4.398 4.340 0.009 0.000 0.205 229 L C 1.754 178.536 176.870 -0.147 0.000 1.086 229 L CA 0.830 55.640 54.840 -0.050 0.000 0.778 229 L CB -0.011 42.111 42.059 0.105 0.000 0.928 229 L HN 0.138 nan 8.230 nan 0.000 0.446 230 I N -0.065 120.329 120.570 -0.293 0.000 2.493 230 I HA -0.245 3.931 4.170 0.009 0.000 0.254 230 I C 2.375 178.328 176.117 -0.274 0.000 1.160 230 I CA 1.205 62.299 61.300 -0.342 0.000 1.445 230 I CB -0.251 37.418 38.000 -0.552 0.000 1.086 230 I HN 0.455 nan 8.210 nan 0.000 0.433 231 E N 1.475 121.465 120.200 -0.349 0.000 2.122 231 E HA -0.140 4.215 4.350 0.009 0.000 0.190 231 E C 2.315 178.907 176.600 -0.012 0.000 0.977 231 E CA 0.935 57.203 56.400 -0.220 0.000 0.820 231 E CB 0.098 29.655 29.700 -0.238 0.000 0.770 231 E HN 0.414 nan 8.360 nan 0.000 0.462 232 A N 1.037 123.822 122.820 -0.058 0.000 2.019 232 A HA -0.185 4.141 4.320 0.009 0.000 0.219 232 A C 2.293 179.878 177.584 0.001 0.000 1.164 232 A CA 2.032 54.050 52.037 -0.031 0.000 0.644 232 A CB -0.525 18.427 19.000 -0.080 0.000 0.805 232 A HN 0.436 nan 8.150 nan 0.000 0.449 233 S N -0.674 115.020 115.700 -0.009 0.000 2.406 233 S HA 0.050 4.525 4.470 0.009 0.000 0.224 233 S C 1.941 176.579 174.600 0.063 0.000 1.030 233 S CA 0.842 59.046 58.200 0.006 0.000 0.958 233 S CB -0.592 62.579 63.200 -0.049 0.000 0.811 233 S HN 0.460 nan 8.310 nan 0.000 0.489 234 L N -0.275 120.997 121.223 0.082 0.000 1.994 234 L HA -0.039 4.306 4.340 0.009 0.000 0.208 234 L C 2.110 178.919 176.870 -0.102 0.000 1.071 234 L CA 1.684 56.508 54.840 -0.027 0.000 0.745 234 L CB -0.328 41.627 42.059 -0.172 0.000 0.892 234 L HN 0.295 nan 8.230 nan 0.000 0.431 235 Y N 0.374 120.647 120.300 -0.046 0.000 2.544 235 Y HA 0.252 4.807 4.550 0.009 0.000 0.286 235 Y C 1.339 177.234 175.900 -0.009 0.000 1.141 235 Y CA 0.401 58.486 58.100 -0.025 0.000 1.299 235 Y CB -0.635 37.806 38.460 -0.032 0.000 1.030 235 Y HN 0.307 nan 8.280 nan 0.000 0.543 236 G N -0.002 108.868 108.800 0.118 0.000 2.892 236 G HA2 0.301 4.267 3.960 0.009 0.000 0.686 236 G HA3 0.301 4.267 3.960 0.009 0.000 0.686 236 G C 0.026 174.967 174.900 0.068 0.000 1.244 236 G CA -0.087 45.058 45.100 0.075 0.000 0.947 236 G HN 1.081 nan 8.290 nan 0.000 0.584 237 G N 0.190 109.015 108.800 0.041 0.000 2.428 237 G HA2 0.380 4.345 3.960 0.009 0.000 0.681 237 G HA3 0.380 4.345 3.960 0.009 0.000 0.681 237 G C -0.239 174.657 174.900 -0.006 0.000 1.340 237 G CA -0.352 44.763 45.100 0.025 0.000 0.915 237 G HN 1.679 nan 8.290 nan 0.000 0.645 238 I N 1.520 122.082 120.570 -0.014 0.000 2.576 238 I HA 0.216 4.391 4.170 0.009 0.000 0.288 238 I C 1.375 177.466 176.117 -0.043 0.000 1.126 238 I CA 0.166 61.444 61.300 -0.036 0.000 1.362 238 I CB 0.968 38.951 38.000 -0.029 0.000 1.419 238 I HN 0.499 nan 8.210 nan 0.000 0.533 239 S N 4.481 120.141 115.700 -0.066 0.000 2.506 239 S HA -0.043 4.433 4.470 0.009 0.000 0.291 239 S C 1.404 175.965 174.600 -0.066 0.000 1.230 239 S CA -0.184 57.972 58.200 -0.073 0.000 1.107 239 S CB 0.511 63.643 63.200 -0.112 0.000 0.942 239 S HN 0.724 nan 8.310 nan 0.000 0.502 240 S N 3.781 119.454 115.700 -0.044 0.000 2.500 240 S HA -0.062 4.413 4.470 0.009 0.000 0.239 240 S C 1.432 176.018 174.600 -0.024 0.000 0.989 240 S CA 1.146 59.328 58.200 -0.031 0.000 0.951 240 S CB -0.184 63.002 63.200 -0.022 0.000 0.759 240 S HN 0.668 nan 8.310 nan 0.000 0.523 241 V N 1.347 121.243 119.914 -0.030 0.000 2.500 241 V HA 0.049 4.175 4.120 0.009 0.000 0.243 241 V C 2.057 178.154 176.094 0.005 0.000 1.039 241 V CA 0.802 63.104 62.300 0.003 0.000 1.053 241 V CB -0.355 31.478 31.823 0.017 0.000 0.695 241 V HN 0.480 nan 8.190 nan 0.000 0.463 242 I N 0.445 120.945 120.570 -0.116 0.000 3.251 242 I HA -0.064 4.112 4.170 0.009 0.000 0.277 242 I C 2.167 178.228 176.117 -0.092 0.000 1.268 242 I CA 1.079 62.240 61.300 -0.231 0.000 1.449 242 I CB -1.502 36.212 38.000 -0.478 0.000 1.083 242 I HN 0.305 nan 8.210 nan 0.000 0.464 243 T N 0.569 115.087 114.554 -0.060 0.000 3.043 243 T HA -0.004 4.351 4.350 0.009 0.000 0.263 243 T C 1.946 176.640 174.700 -0.011 0.000 1.094 243 T CA 0.725 62.801 62.100 -0.039 0.000 1.127 243 T CB 0.339 69.185 68.868 -0.037 0.000 0.905 243 T HN 0.192 nan 8.240 nan 0.000 0.490 244 K N 1.513 121.919 120.400 0.010 0.000 2.017 244 K HA 0.205 4.531 4.320 0.009 0.000 0.207 244 K C 1.496 178.118 176.600 0.036 0.000 1.035 244 K CA 0.673 56.972 56.287 0.020 0.000 0.947 244 K CB -0.414 32.101 32.500 0.025 0.000 0.749 244 K HN 0.049 nan 8.250 nan 0.000 0.443 245 S N 2.507 118.257 115.700 0.084 0.000 2.849 245 S HA 0.137 4.612 4.470 0.009 0.000 0.244 245 S C 1.211 175.906 174.600 0.159 0.000 1.297 245 S CA -0.179 58.072 58.200 0.085 0.000 1.241 245 S CB -0.413 62.831 63.200 0.074 0.000 0.958 245 S HN 0.229 nan 8.310 nan 0.000 0.489 246 L N 1.997 123.280 121.223 0.099 0.000 2.043 246 L HA -0.213 4.132 4.340 0.009 0.000 0.212 246 L C 2.064 178.979 176.870 0.075 0.000 1.075 246 L CA 1.610 56.503 54.840 0.087 0.000 0.752 246 L CB -0.040 42.019 42.059 -0.000 0.000 0.891 246 L HN 0.392 nan 8.230 nan 0.000 0.432 247 R N -1.165 119.338 120.500 0.005 0.000 2.346 247 R HA -0.009 4.337 4.340 0.009 0.000 0.199 247 R C 0.653 176.907 176.300 -0.075 0.000 1.015 247 R CA 1.030 57.100 56.100 -0.050 0.000 1.058 247 R CB -0.636 29.613 30.300 -0.085 0.000 0.921 247 R HN 0.359 nan 8.270 nan 0.000 0.475 248 D N -1.022 119.335 120.400 -0.072 0.000 2.392 248 D HA 0.030 4.675 4.640 0.009 0.000 0.206 248 D C 0.363 176.439 176.300 -0.375 0.000 1.046 248 D CA 0.621 54.478 54.000 -0.238 0.000 0.865 248 D CB 0.144 40.731 40.800 -0.356 0.000 0.969 248 D HN 0.314 nan 8.370 nan 0.000 0.509 249 Y N -0.445 119.768 120.300 -0.145 0.000 2.462 249 Y HA 0.340 4.895 4.550 0.009 0.000 0.253 249 Y C 1.657 177.319 175.900 -0.397 0.000 1.095 249 Y CA 0.097 58.010 58.100 -0.312 0.000 1.283 249 Y CB 0.373 38.591 38.460 -0.404 0.000 1.138 249 Y HN -0.107 nan 8.280 nan 0.000 0.522 250 L N -0.964 120.202 121.223 -0.096 0.000 2.362 250 L HA 0.152 4.498 4.340 0.009 0.000 0.204 250 L C -0.281 176.557 176.870 -0.054 0.000 1.060 250 L CA 0.100 54.874 54.840 -0.109 0.000 0.827 250 L CB -0.087 41.922 42.059 -0.083 0.000 1.027 250 L HN -0.047 nan 8.230 nan 0.000 0.474 251 L N 1.873 123.071 121.223 -0.041 0.000 2.295 251 L HA 0.296 4.641 4.340 0.009 0.000 0.288 251 L C -2.202 174.717 176.870 0.081 0.000 1.079 251 L CA -1.353 53.495 54.840 0.012 0.000 0.830 251 L CB -0.646 41.341 42.059 -0.120 0.000 1.200 251 L HN -0.228 nan 8.230 nan 0.000 0.438 252 P HA -0.057 nan 4.420 nan 0.000 0.265 252 P C -0.283 177.142 177.300 0.208 0.000 1.187 252 P CA -0.107 63.085 63.100 0.154 0.000 0.766 252 P CB 0.456 32.228 31.700 0.121 0.000 0.820 253 E N 3.181 123.460 120.200 0.132 0.000 1.924 253 E HA 0.039 4.394 4.350 0.009 0.000 0.261 253 E C -0.477 176.178 176.600 0.091 0.000 1.088 253 E CA -0.423 56.051 56.400 0.124 0.000 0.909 253 E CB -0.521 29.219 29.700 0.066 0.000 1.112 253 E HN 0.284 nan 8.360 nan 0.000 0.425 254 N N 2.812 121.566 118.700 0.090 0.000 2.400 254 N HA -0.025 4.720 4.740 0.009 0.000 0.278 254 N C 0.192 175.715 175.510 0.021 0.000 1.247 254 N CA 0.133 53.184 53.050 0.003 0.000 0.970 254 N CB 1.249 39.665 38.487 -0.118 0.000 1.312 254 N HN 0.352 nan 8.380 nan 0.000 0.488 255 S N 1.166 116.878 115.700 0.019 0.000 2.453 255 S HA -0.045 4.430 4.470 0.009 0.000 0.231 255 S C 1.976 176.587 174.600 0.018 0.000 1.005 255 S CA 0.613 58.827 58.200 0.023 0.000 0.949 255 S CB 0.097 63.306 63.200 0.016 0.000 0.774 255 S HN 0.733 nan 8.310 nan 0.000 0.510 256 G N 2.364 111.165 108.800 0.001 0.000 2.639 256 G HA2 -0.226 3.739 3.960 0.009 0.000 0.216 256 G HA3 -0.226 3.739 3.960 0.009 0.000 0.216 256 G C 1.437 176.344 174.900 0.011 0.000 1.267 256 G CA 1.336 46.433 45.100 -0.004 0.000 0.801 256 G HN 0.372 nan 8.290 nan 0.000 0.592 257 V N 2.671 122.581 119.914 -0.006 0.000 2.217 257 V HA -0.321 3.805 4.120 0.009 0.000 0.248 257 V C 3.032 179.183 176.094 0.095 0.000 1.050 257 V CA 2.973 65.285 62.300 0.019 0.000 1.007 257 V CB -0.925 30.874 31.823 -0.040 0.000 0.639 257 V HN 0.670 nan 8.190 nan 0.000 0.452 258 R N 0.676 121.232 120.500 0.092 0.000 2.132 258 R HA -0.321 4.024 4.340 0.009 0.000 0.233 258 R C 2.339 178.710 176.300 0.118 0.000 1.125 258 R CA 2.382 58.561 56.100 0.132 0.000 0.914 258 R CB -1.179 29.185 30.300 0.107 0.000 0.845 258 R HN 0.624 nan 8.270 nan 0.000 0.431 259 Q N 1.156 120.999 119.800 0.072 0.000 2.062 259 Q HA -0.250 4.096 4.340 0.009 0.000 0.209 259 Q C 2.163 178.189 176.000 0.044 0.000 0.996 259 Q CA 2.180 58.012 55.803 0.048 0.000 0.859 259 Q CB -0.209 28.547 28.738 0.029 0.000 0.920 259 Q HN 0.517 nan 8.270 nan 0.000 0.415 260 A N 0.803 123.656 122.820 0.054 0.000 1.827 260 A HA -0.235 4.091 4.320 0.009 0.000 0.215 260 A C 1.841 179.460 177.584 0.058 0.000 1.212 260 A CA 1.528 53.594 52.037 0.048 0.000 0.624 260 A CB -1.520 17.513 19.000 0.056 0.000 0.853 260 A HN 0.622 nan 8.150 nan 0.000 0.450 261 F N 0.808 120.744 119.950 -0.023 0.000 2.257 261 F HA -0.278 4.254 4.527 0.009 0.000 0.302 261 F C 2.403 178.190 175.800 -0.022 0.000 1.056 261 F CA 2.226 60.206 58.000 -0.034 0.000 1.353 261 F CB -0.344 38.639 39.000 -0.028 0.000 1.064 261 F HN 0.453 nan 8.300 nan 0.000 0.520 262 Q N -0.102 119.696 119.800 -0.004 0.000 2.170 262 Q HA -0.219 4.126 4.340 0.009 0.000 0.203 262 Q C 1.816 177.729 176.000 -0.144 0.000 0.976 262 Q CA 1.736 57.510 55.803 -0.049 0.000 0.858 262 Q CB -0.192 28.564 28.738 0.029 0.000 0.907 262 Q HN 0.452 nan 8.270 nan 0.000 0.433 263 D N -0.323 119.995 120.400 -0.137 0.000 2.264 263 D HA -0.127 4.519 4.640 0.009 0.000 0.208 263 D C 1.571 177.749 176.300 -0.204 0.000 0.966 263 D CA 0.734 54.656 54.000 -0.131 0.000 0.864 263 D CB 0.112 40.860 40.800 -0.086 0.000 0.933 263 D HN 0.334 nan 8.370 nan 0.000 0.499 264 M N 0.556 119.938 119.600 -0.363 0.000 2.460 264 M HA -0.074 4.411 4.480 0.009 0.000 0.263 264 M C 1.600 177.673 176.300 -0.378 0.000 1.071 264 M CA 0.920 55.954 55.300 -0.443 0.000 1.096 264 M CB -0.634 31.486 32.600 -0.799 0.000 1.408 264 M HN 0.063 nan 8.290 nan 0.000 0.463 265 E N 0.076 120.082 120.200 -0.323 0.000 2.358 265 E HA -0.010 4.345 4.350 0.009 0.000 0.195 265 E C 1.983 178.522 176.600 -0.101 0.000 1.010 265 E CA 0.752 57.051 56.400 -0.168 0.000 0.856 265 E CB 0.089 29.740 29.700 -0.081 0.000 0.795 265 E HN 0.484 nan 8.360 nan 0.000 0.504 266 A N 1.614 124.367 122.820 -0.111 0.000 1.844 266 A HA 0.312 4.637 4.320 0.009 0.000 0.212 266 A C 1.450 178.991 177.584 -0.070 0.000 1.221 266 A CA 0.865 52.858 52.037 -0.072 0.000 0.607 266 A CB -0.210 18.750 19.000 -0.066 0.000 0.878 266 A HN 0.238 nan 8.150 nan 0.000 0.451 1264 S N 2.128 117.833 115.700 0.009 0.000 2.681 1264 S HA 0.981 5.457 4.470 0.009 0.000 0.299 1264 S C -0.719 173.864 174.600 -0.027 0.000 1.113 1264 S CA -0.439 57.776 58.200 0.025 0.000 1.013 1264 S CB 2.004 65.237 63.200 0.055 0.000 1.076 1264 S HN 0.951 nan 8.310 nan 0.000 0.534 1265 A N 1.447 124.246 122.820 -0.036 0.000 2.497 1265 A HA 0.492 4.817 4.320 0.009 0.000 0.280 1265 A C -0.423 177.166 177.584 0.009 0.000 1.065 1265 A CA -0.604 51.412 52.037 -0.035 0.000 0.781 1265 A CB 0.654 19.621 19.000 -0.055 0.000 1.289 1265 A HN 0.786 nan 8.150 nan 0.000 0.415 1266 E N 1.537 121.749 120.200 0.020 0.000 2.394 1266 E HA 0.082 4.438 4.350 0.009 0.000 0.191 1266 E C 0.727 177.323 176.600 -0.007 0.000 1.044 1266 E CA 0.325 56.741 56.400 0.027 0.000 0.939 1266 E CB 0.380 30.093 29.700 0.022 0.000 1.089 1266 E HN 0.595 nan 8.360 nan 0.000 0.456 1267 S N 0.075 115.760 115.700 -0.024 0.000 2.421 1267 S HA -0.090 4.385 4.470 0.009 0.000 0.224 1267 S C 2.266 176.763 174.600 -0.171 0.000 1.035 1267 S CA 0.479 58.644 58.200 -0.059 0.000 0.953 1267 S CB -0.032 63.167 63.200 -0.002 0.000 0.810 1267 S HN 0.155 nan 8.310 nan 0.000 0.497 1268 V N 2.823 122.548 119.914 -0.315 0.000 2.250 1268 V HA -0.300 3.825 4.120 0.009 0.000 0.253 1268 V C 2.686 178.632 176.094 -0.248 0.000 1.065 1268 V CA 1.965 63.957 62.300 -0.513 0.000 1.039 1268 V CB -1.744 29.814 31.823 -0.442 0.000 0.647 1268 V HN 0.533 nan 8.190 nan 0.000 0.446 1269 A N 0.533 123.285 122.820 -0.114 0.000 1.855 1269 A HA -0.233 4.092 4.320 0.009 0.000 0.215 1269 A C 2.284 179.811 177.584 -0.095 0.000 1.191 1269 A CA 1.841 53.831 52.037 -0.078 0.000 0.613 1269 A CB -0.902 18.094 19.000 -0.005 0.000 0.829 1269 A HN 0.580 nan 8.150 nan 0.000 0.442 1270 N N 0.517 119.172 118.700 -0.075 0.000 2.037 1270 N HA -0.190 4.555 4.740 0.009 0.000 0.196 1270 N C 1.735 177.189 175.510 -0.093 0.000 1.034 1270 N CA 2.171 55.181 53.050 -0.066 0.000 0.861 1270 N CB -0.347 38.110 38.487 -0.050 0.000 1.039 1270 N HN 0.551 nan 8.380 nan 0.000 0.427 1271 I N 1.128 121.623 120.570 -0.124 0.000 2.072 1271 I HA -0.311 3.864 4.170 0.009 0.000 0.235 1271 I C 2.481 178.499 176.117 -0.164 0.000 1.058 1271 I CA 0.818 62.032 61.300 -0.142 0.000 1.320 1271 I CB -0.571 37.324 38.000 -0.176 0.000 1.047 1271 I HN 0.138 nan 8.210 nan 0.000 0.397 1272 L N 0.362 121.461 121.223 -0.206 0.000 1.980 1272 L HA -0.342 4.004 4.340 0.009 0.000 0.232 1272 L C 2.804 179.561 176.870 -0.189 0.000 1.092 1272 L CA 1.814 56.507 54.840 -0.245 0.000 0.808 1272 L CB -0.870 40.959 42.059 -0.383 0.000 0.908 1272 L HN 0.242 nan 8.230 nan 0.000 0.442 1273 R N -0.100 120.300 120.500 -0.166 0.000 2.174 1273 R HA -0.234 4.111 4.340 0.009 0.000 0.253 1273 R C 2.109 178.364 176.300 -0.076 0.000 1.165 1273 R CA 1.661 57.699 56.100 -0.104 0.000 0.984 1273 R CB -0.346 29.911 30.300 -0.072 0.000 0.873 1273 R HN 0.490 nan 8.270 nan 0.000 0.456 1274 K N -1.052 119.296 120.400 -0.086 0.000 2.356 1274 K HA 0.065 4.390 4.320 0.009 0.000 0.195 1274 K C 1.730 178.280 176.600 -0.084 0.000 1.037 1274 K CA 0.681 56.925 56.287 -0.072 0.000 1.014 1274 K CB 0.468 32.927 32.500 -0.068 0.000 0.815 1274 K HN 0.060 nan 8.250 nan 0.000 0.507 1275 T N 1.755 116.238 114.554 -0.119 0.000 2.896 1275 T HA -0.002 4.353 4.350 0.009 0.000 0.263 1275 T C 1.788 176.460 174.700 -0.047 0.000 1.050 1275 T CA 0.560 62.554 62.100 -0.178 0.000 1.140 1275 T CB 0.081 68.732 68.868 -0.362 0.000 0.877 1275 T HN -0.009 nan 8.240 nan 0.000 0.457 1276 I N 1.616 122.208 120.570 0.038 0.000 2.058 1276 I HA -0.164 4.011 4.170 0.009 0.000 0.235 1276 I C 2.658 178.804 176.117 0.049 0.000 1.053 1276 I CA 1.600 62.966 61.300 0.110 0.000 1.313 1276 I CB -1.477 36.538 38.000 0.026 0.000 1.039 1276 I HN 0.219 nan 8.210 nan 0.000 0.396 1277 Q N 1.001 120.804 119.800 0.005 0.000 2.112 1277 Q HA -0.240 4.105 4.340 0.009 0.000 0.206 1277 Q C 2.366 178.364 176.000 -0.004 0.000 0.987 1277 Q CA 1.917 57.718 55.803 -0.003 0.000 0.858 1277 Q CB -0.370 28.359 28.738 -0.015 0.000 0.905 1277 Q HN 0.325 nan 8.270 nan 0.000 0.420 1278 R N -0.190 120.302 120.500 -0.014 0.000 2.096 1278 R HA -0.203 4.143 4.340 0.009 0.000 0.229 1278 R C 1.973 178.273 176.300 -0.000 0.000 1.134 1278 R CA 1.905 57.993 56.100 -0.020 0.000 0.917 1278 R CB -0.484 29.788 30.300 -0.047 0.000 0.832 1278 R HN 0.215 nan 8.270 nan 0.000 0.430 1279 E N 0.575 120.789 120.200 0.023 0.000 2.267 1279 E HA -0.233 4.122 4.350 0.009 0.000 0.197 1279 E C 1.874 178.500 176.600 0.044 0.000 0.998 1279 E CA 1.393 57.828 56.400 0.059 0.000 0.830 1279 E CB -0.052 29.752 29.700 0.173 0.000 0.751 1279 E HN 0.446 nan 8.360 nan 0.000 0.491 1280 Q N -0.453 119.367 119.800 0.033 0.000 2.224 1280 Q HA -0.108 4.238 4.340 0.009 0.000 0.203 1280 Q C 1.477 177.474 176.000 -0.005 0.000 0.970 1280 Q CA 1.215 57.023 55.803 0.009 0.000 0.865 1280 Q CB 0.111 28.852 28.738 0.006 0.000 0.922 1280 Q HN 0.257 nan 8.270 nan 0.000 0.445 1281 N N 0.121 118.819 118.700 -0.003 0.000 2.220 1281 N HA -0.107 4.638 4.740 0.009 0.000 0.182 1281 N C 1.670 177.175 175.510 -0.008 0.000 1.023 1281 N CA 0.781 53.826 53.050 -0.008 0.000 0.856 1281 N CB -0.236 38.246 38.487 -0.008 0.000 0.997 1281 N HN 0.080 nan 8.380 nan 0.000 0.429 1282 R N 1.431 121.929 120.500 -0.003 0.000 2.153 1282 R HA -0.090 4.256 4.340 0.009 0.000 0.252 1282 R C 1.966 178.261 176.300 -0.009 0.000 1.158 1282 R CA 1.042 57.140 56.100 -0.003 0.000 0.975 1282 R CB -0.495 29.808 30.300 0.004 0.000 0.871 1282 R HN 0.183 nan 8.270 nan 0.000 0.450 1283 I N -0.057 120.505 120.570 -0.013 0.000 2.133 1283 I HA -0.215 3.960 4.170 0.009 0.000 0.238 1283 I C 2.123 178.221 176.117 -0.032 0.000 1.074 1283 I CA 0.931 62.214 61.300 -0.027 0.000 1.342 1283 I CB -1.250 36.730 38.000 -0.033 0.000 1.053 1283 I HN 0.240 nan 8.210 nan 0.000 0.404 1284 L N 0.793 121.997 121.223 -0.031 0.000 2.263 1284 L HA -0.226 4.119 4.340 0.009 0.000 0.216 1284 L C 2.427 179.285 176.870 -0.020 0.000 1.111 1284 L CA 1.787 56.608 54.840 -0.032 0.000 0.773 1284 L CB -0.648 41.395 42.059 -0.027 0.000 0.906 1284 L HN 0.281 nan 8.230 nan 0.000 0.439 1285 Q N -0.831 118.961 119.800 -0.014 0.000 2.008 1285 Q HA -0.078 4.268 4.340 0.009 0.000 0.196 1285 Q C 2.327 178.322 176.000 -0.008 0.000 0.973 1285 Q CA 1.596 57.395 55.803 -0.007 0.000 0.826 1285 Q CB -0.325 28.410 28.738 -0.004 0.000 0.894 1285 Q HN 0.533 nan 8.270 nan 0.000 0.439 1286 L N 1.301 122.516 121.223 -0.013 0.000 2.051 1286 L HA -0.288 4.057 4.340 0.009 0.000 0.214 1286 L C 1.988 178.848 176.870 -0.017 0.000 1.076 1286 L CA 1.335 56.165 54.840 -0.016 0.000 0.758 1286 L CB -0.589 41.454 42.059 -0.026 0.000 0.890 1286 L HN 0.267 nan 8.230 nan 0.000 0.433 1287 N N -0.114 118.572 118.700 -0.023 0.000 2.069 1287 N HA -0.228 4.518 4.740 0.009 0.000 0.191 1287 N C 1.771 177.286 175.510 0.009 0.000 1.031 1287 N CA 1.219 54.258 53.050 -0.019 0.000 0.852 1287 N CB -0.231 38.231 38.487 -0.042 0.000 1.018 1287 N HN 0.372 nan 8.380 nan 0.000 0.423 1288 Q N -0.677 119.130 119.800 0.011 0.000 2.308 1288 Q HA -0.048 4.298 4.340 0.009 0.000 0.209 1288 Q C 1.181 177.197 176.000 0.027 0.000 0.985 1288 Q CA 1.128 56.946 55.803 0.025 0.000 0.881 1288 Q CB -0.249 28.501 28.738 0.019 0.000 0.917 1288 Q HN 0.392 nan 8.270 nan 0.000 0.443 1289 G N 0.349 109.158 108.800 0.016 0.000 3.374 1289 G HA2 0.285 4.250 3.960 0.009 0.000 0.252 1289 G HA3 0.285 4.250 3.960 0.009 0.000 0.252 1289 G C 0.048 174.958 174.900 0.016 0.000 1.326 1289 G CA -0.071 45.038 45.100 0.015 0.000 1.133 1289 G HN 0.127 nan 8.290 nan 0.000 0.528 1290 L N -0.331 120.910 121.223 0.029 0.000 2.367 1290 L HA 0.246 4.591 4.340 0.009 0.000 0.263 1290 L C 0.351 177.261 176.870 0.066 0.000 1.473 1290 L CA -0.098 54.761 54.840 0.032 0.000 0.807 1290 L CB 0.768 42.832 42.059 0.010 0.000 0.968 1290 L HN 0.156 nan 8.230 nan 0.000 0.520 1291 Q N -0.761 119.078 119.800 0.066 0.000 2.471 1291 Q HA 0.217 4.563 4.340 0.009 0.000 0.259 1291 Q C 0.921 176.956 176.000 0.059 0.000 0.850 1291 Q CA 0.106 55.954 55.803 0.075 0.000 0.981 1291 Q CB 0.915 29.696 28.738 0.072 0.000 1.180 1291 Q HN 0.544 nan 8.270 nan 0.000 0.571 1292 N N 1.044 119.780 118.700 0.060 0.000 2.313 1292 N HA 0.189 4.934 4.740 0.009 0.000 0.207 1292 N C -0.266 175.298 175.510 0.090 0.000 1.141 1292 N CA -0.127 52.959 53.050 0.061 0.000 0.830 1292 N CB 0.488 39.009 38.487 0.056 0.000 1.008 1292 N HN 0.159 nan 8.380 nan 0.000 0.481 1293 I N 1.500 122.130 120.570 0.101 0.000 2.815 1293 I HA -0.049 4.126 4.170 0.009 0.000 0.291 1293 I C 0.504 176.756 176.117 0.225 0.000 1.209 1293 I CA 0.213 61.616 61.300 0.171 0.000 1.431 1293 I CB 0.529 38.573 38.000 0.074 0.000 1.351 1293 I HN 0.064 nan 8.210 nan 0.000 0.585 1294 A N 7.658 130.698 122.820 0.367 0.000 2.763 1294 A HA 0.617 4.943 4.320 0.009 0.000 0.325 1294 A C -0.985 176.735 177.584 0.227 0.000 1.209 1294 A CA -0.277 51.895 52.037 0.224 0.000 0.764 1294 A CB -0.121 18.924 19.000 0.076 0.000 1.120 1294 A HN 0.476 nan 8.150 nan 0.000 0.463 1295 F N 1.545 121.503 119.950 0.013 0.000 2.513 1295 F HA 0.548 5.080 4.527 0.009 0.000 0.358 1295 F C 1.201 177.006 175.800 0.009 0.000 1.118 1295 F CA 0.132 58.141 58.000 0.016 0.000 1.037 1295 F CB 1.487 40.499 39.000 0.020 0.000 1.276 1295 F HN 0.895 nan 8.300 nan 0.000 0.446 1296 G N 2.676 111.524 108.800 0.080 0.000 2.815 1296 G HA2 -0.319 3.647 3.960 0.009 0.000 0.326 1296 G HA3 -0.319 3.647 3.960 0.009 0.000 0.326 1296 G C 0.847 175.778 174.900 0.051 0.000 1.191 1296 G CA 0.514 45.648 45.100 0.056 0.000 0.965 1296 G HN 0.435 nan 8.290 nan 0.000 0.564 1297 Q N 0.264 120.098 119.800 0.058 0.000 2.155 1297 Q HA 0.422 4.767 4.340 0.009 0.000 0.220 1297 Q C 0.214 176.231 176.000 0.029 0.000 0.819 1297 Q CA 0.235 56.058 55.803 0.033 0.000 1.032 1297 Q CB 1.483 30.234 28.738 0.022 0.000 1.151 1297 Q HN 0.493 nan 8.270 nan 0.000 0.487 1298 V N 1.456 121.411 119.914 0.070 0.000 2.383 1298 V HA 0.282 4.407 4.120 0.009 0.000 0.275 1298 V C 0.571 176.698 176.094 0.056 0.000 1.036 1298 V CA -0.341 61.991 62.300 0.054 0.000 0.889 1298 V CB 1.568 33.440 31.823 0.082 0.000 0.985 1298 V HN -0.047 nan 8.190 nan 0.000 0.459 1299 K N 2.900 123.289 120.400 -0.018 0.000 2.514 1299 K HA 0.572 4.897 4.320 0.009 0.000 0.207 1299 K C 0.322 176.919 176.600 -0.004 0.000 1.035 1299 K CA 0.302 56.581 56.287 -0.013 0.000 1.113 1299 K CB 0.886 33.345 32.500 -0.068 0.000 0.846 1299 K HN 1.028 nan 8.250 nan 0.000 0.491 1300 G N -1.054 107.762 108.800 0.027 0.000 2.352 1300 G HA2 0.220 4.185 3.960 0.009 0.000 0.305 1300 G HA3 0.220 4.185 3.960 0.009 0.000 0.305 1300 G C -1.881 173.141 174.900 0.203 0.000 1.537 1300 G CA -0.929 44.237 45.100 0.110 0.000 0.959 1300 G HN -0.132 nan 8.290 nan 0.000 0.668 1301 V N 1.870 121.888 119.914 0.175 0.000 2.462 1301 V HA 0.500 4.625 4.120 0.009 0.000 0.288 1301 V C 0.673 176.804 176.094 0.062 0.000 1.020 1301 V CA -0.766 61.617 62.300 0.139 0.000 0.857 1301 V CB 1.194 33.019 31.823 0.003 0.000 1.013 1301 V HN 0.882 nan 8.190 nan 0.000 0.431 1302 R N 3.179 123.667 120.500 -0.021 0.000 2.562 1302 R HA 0.721 5.066 4.340 0.009 0.000 0.217 1302 R C -0.679 175.527 176.300 -0.156 0.000 1.234 1302 R CA -0.708 55.277 56.100 -0.192 0.000 1.027 1302 R CB 0.600 30.573 30.300 -0.544 0.000 1.525 1302 R HN 0.482 nan 8.270 nan 0.000 0.527 1303 L N 0.921 122.030 121.223 -0.188 0.000 2.635 1303 L HA 0.166 4.511 4.340 0.009 0.000 0.251 1303 L C -1.490 175.293 176.870 -0.145 0.000 1.056 1303 L CA -0.518 54.239 54.840 -0.139 0.000 0.936 1303 L CB 1.597 43.594 42.059 -0.103 0.000 1.162 1303 L HN 0.252 nan 8.230 nan 0.000 0.481 1304 V N 3.824 123.642 119.914 -0.159 0.000 2.425 1304 V HA -0.006 4.119 4.120 0.009 0.000 0.276 1304 V C 0.841 176.878 176.094 -0.096 0.000 1.017 1304 V CA 0.039 62.254 62.300 -0.141 0.000 1.062 1304 V CB 1.094 32.832 31.823 -0.142 0.000 0.997 1304 V HN 0.413 nan 8.190 nan 0.000 0.476 1305 V N 6.986 126.850 119.914 -0.082 0.000 1.973 1305 V HA 0.060 4.185 4.120 0.009 0.000 0.255 1305 V C 1.097 177.162 176.094 -0.048 0.000 1.605 1305 V CA -0.215 62.048 62.300 -0.061 0.000 1.542 1305 V CB -1.569 30.224 31.823 -0.050 0.000 1.504 1305 V HN 0.871 nan 8.190 nan 0.000 0.505 1306 N N 2.775 121.447 118.700 -0.047 0.000 2.307 1306 N HA 0.250 4.996 4.740 0.009 0.000 0.230 1306 N C -0.461 175.039 175.510 -0.015 0.000 1.297 1306 N CA 0.098 53.130 53.050 -0.030 0.000 0.884 1306 N CB 0.992 39.462 38.487 -0.028 0.000 1.115 1306 N HN 0.391 nan 8.380 nan 0.000 0.436 1307 I N 1.162 121.735 120.570 0.006 0.000 2.465 1307 I HA 0.270 4.445 4.170 0.009 0.000 0.291 1307 I C 0.213 176.359 176.117 0.049 0.000 1.014 1307 I CA -0.723 60.597 61.300 0.033 0.000 1.093 1307 I CB 1.817 39.848 38.000 0.052 0.000 1.267 1307 I HN 0.266 nan 8.210 nan 0.000 0.431 1308 R N 4.624 125.165 120.500 0.069 0.000 2.458 1308 R HA -0.008 4.337 4.340 0.009 0.000 0.303 1308 R C 0.627 176.998 176.300 0.118 0.000 1.013 1308 R CA -0.164 55.998 56.100 0.104 0.000 1.026 1308 R CB 0.424 30.832 30.300 0.180 0.000 0.948 1308 R HN 0.592 nan 8.270 nan 0.000 0.417 1309 D N 2.145 122.591 120.400 0.076 0.000 2.191 1309 D HA -0.218 4.428 4.640 0.009 0.000 0.195 1309 D C 1.063 177.394 176.300 0.053 0.000 1.003 1309 D CA 1.951 55.982 54.000 0.052 0.000 0.867 1309 D CB 0.040 40.857 40.800 0.028 0.000 0.926 1309 D HN 0.561 nan 8.370 nan 0.000 0.450 1310 T N 0.472 115.064 114.554 0.065 0.000 2.623 1310 T HA -0.103 4.253 4.350 0.009 0.000 0.254 1310 T C 1.736 176.471 174.700 0.060 0.000 1.075 1310 T CA 1.085 63.189 62.100 0.006 0.000 1.177 1310 T CB -0.763 68.069 68.868 -0.061 0.000 0.869 1310 T HN 0.236 nan 8.240 nan 0.000 0.403 1311 H N 1.734 120.873 119.070 0.115 0.000 2.492 1311 H HA -0.043 4.519 4.556 0.009 0.000 0.296 1311 H C 2.547 177.946 175.328 0.118 0.000 1.095 1311 H CA 1.457 57.527 56.048 0.037 0.000 1.281 1311 H CB -0.433 29.207 29.762 -0.203 0.000 1.374 1311 H HN 0.419 nan 8.280 nan 0.000 0.545 1312 S N 0.014 115.841 115.700 0.212 0.000 2.423 1312 S HA -0.110 4.366 4.470 0.009 0.000 0.231 1312 S C 2.022 176.700 174.600 0.129 0.000 1.014 1312 S CA 1.048 59.346 58.200 0.164 0.000 0.965 1312 S CB -0.361 62.904 63.200 0.108 0.000 0.785 1312 S HN 0.415 nan 8.310 nan 0.000 0.495 1313 I N 1.220 121.854 120.570 0.107 0.000 2.193 1313 I HA -0.055 4.120 4.170 0.009 0.000 0.240 1313 I C 2.556 178.734 176.117 0.101 0.000 1.084 1313 I CA 1.035 62.380 61.300 0.076 0.000 1.365 1313 I CB -0.450 37.571 38.000 0.034 0.000 1.064 1313 I HN 0.266 nan 8.210 nan 0.000 0.410 1314 L N 0.789 122.095 121.223 0.139 0.000 2.081 1314 L HA -0.231 4.115 4.340 0.009 0.000 0.212 1314 L C 2.438 179.415 176.870 0.179 0.000 1.080 1314 L CA 1.558 56.495 54.840 0.162 0.000 0.754 1314 L CB -0.107 42.057 42.059 0.174 0.000 0.893 1314 L HN 0.248 nan 8.230 nan 0.000 0.433 1315 L N -0.174 121.180 121.223 0.218 0.000 2.291 1315 L HA -0.176 4.170 4.340 0.009 0.000 0.214 1315 L C 2.241 179.171 176.870 0.101 0.000 1.120 1315 L CA 0.956 55.900 54.840 0.173 0.000 0.799 1315 L CB -0.570 41.588 42.059 0.165 0.000 0.925 1315 L HN 0.475 nan 8.230 nan 0.000 0.446 1316 N N 0.377 119.132 118.700 0.092 0.000 2.415 1316 N HA -0.053 4.692 4.740 0.009 0.000 0.176 1316 N C 1.649 177.196 175.510 0.062 0.000 1.042 1316 N CA 0.973 54.062 53.050 0.065 0.000 0.902 1316 N CB 0.453 38.973 38.487 0.054 0.000 0.986 1316 N HN 0.244 nan 8.380 nan 0.000 0.447 1317 A N 0.924 123.787 122.820 0.072 0.000 1.970 1317 A HA 0.124 4.449 4.320 0.009 0.000 0.216 1317 A C 2.271 179.898 177.584 0.072 0.000 1.170 1317 A CA 0.348 52.424 52.037 0.066 0.000 0.645 1317 A CB -0.251 18.788 19.000 0.065 0.000 0.816 1317 A HN 0.277 nan 8.150 nan 0.000 0.447 1318 L N -0.816 120.456 121.223 0.083 0.000 2.209 1318 L HA -0.057 4.288 4.340 0.009 0.000 0.207 1318 L C 2.696 179.607 176.870 0.068 0.000 1.094 1318 L CA 0.971 55.862 54.840 0.085 0.000 0.790 1318 L CB -0.604 41.515 42.059 0.101 0.000 0.932 1318 L HN 0.269 nan 8.230 nan 0.000 0.447 1319 S N -0.454 115.281 115.700 0.057 0.000 2.359 1319 S HA -0.148 4.327 4.470 0.009 0.000 0.222 1319 S C 0.563 175.193 174.600 0.050 0.000 1.038 1319 S CA 1.166 59.392 58.200 0.044 0.000 1.051 1319 S CB -0.312 62.911 63.200 0.038 0.000 0.944 1319 S HN 0.354 nan 8.310 nan 0.000 0.433 1320 D N 2.099 122.534 120.400 0.058 0.000 2.344 1320 D HA 0.235 4.880 4.640 0.009 0.000 0.253 1320 D C -0.166 176.185 176.300 0.086 0.000 1.255 1320 D CA 0.263 54.307 54.000 0.074 0.000 0.894 1320 D CB 0.443 41.284 40.800 0.069 0.000 1.067 1320 D HN 0.293 nan 8.370 nan 0.000 0.492 1321 Q N 2.872 122.722 119.800 0.084 0.000 2.325 1321 Q HA 0.474 4.819 4.340 0.009 0.000 0.262 1321 Q C -1.099 174.941 176.000 0.067 0.000 0.968 1321 Q CA -0.417 55.421 55.803 0.058 0.000 0.877 1321 Q CB 0.848 29.594 28.738 0.014 0.000 1.253 1321 Q HN 0.624 nan 8.270 nan 0.000 0.448 1336 F N 1.897 121.865 119.950 0.031 0.000 2.664 1336 F HA 0.142 4.674 4.527 0.009 0.000 0.296 1336 F C 2.085 177.937 175.800 0.085 0.000 1.125 1336 F CA 0.653 58.700 58.000 0.078 0.000 1.444 1336 F CB 0.232 39.313 39.000 0.136 0.000 1.114 1336 F HN 0.458 nan 8.300 nan 0.000 0.576 1337 S N -0.492 115.294 115.700 0.144 0.000 2.402 1337 S HA -0.192 4.283 4.470 0.009 0.000 0.229 1337 S C 1.941 176.539 174.600 -0.004 0.000 1.021 1337 S CA 1.262 59.502 58.200 0.068 0.000 0.974 1337 S CB -0.244 62.998 63.200 0.072 0.000 0.800 1337 S HN 0.513 nan 8.310 nan 0.000 0.484 1338 E N 1.088 121.288 120.200 -0.001 0.000 2.122 1338 E HA 0.054 4.410 4.350 0.009 0.000 0.190 1338 E C 1.989 178.545 176.600 -0.073 0.000 0.977 1338 E CA 0.562 56.951 56.400 -0.018 0.000 0.820 1338 E CB -0.154 29.552 29.700 0.009 0.000 0.770 1338 E HN 0.431 nan 8.360 nan 0.000 0.462 1339 A N 1.670 124.403 122.820 -0.145 0.000 2.021 1339 A HA -0.242 4.084 4.320 0.009 0.000 0.206 1339 A C 2.071 179.486 177.584 -0.282 0.000 1.210 1339 A CA 1.618 53.489 52.037 -0.276 0.000 0.733 1339 A CB -1.261 17.347 19.000 -0.653 0.000 0.839 1339 A HN 0.320 nan 8.150 nan 0.000 0.495 1340 L N -0.802 120.148 121.223 -0.455 0.000 2.103 1340 L HA -0.343 4.003 4.340 0.009 0.000 0.215 1340 L C 3.039 179.838 176.870 -0.118 0.000 1.080 1340 L CA 1.339 56.024 54.840 -0.258 0.000 0.764 1340 L CB -0.872 41.032 42.059 -0.258 0.000 0.890 1340 L HN 0.609 nan 8.230 nan 0.000 0.435 1341 A N -0.331 122.420 122.820 -0.114 0.000 1.971 1341 A HA -0.282 4.044 4.320 0.009 0.000 0.222 1341 A C 2.248 179.840 177.584 0.013 0.000 1.182 1341 A CA 2.354 54.368 52.037 -0.038 0.000 0.649 1341 A CB -0.351 18.629 19.000 -0.033 0.000 0.818 1341 A HN 0.401 nan 8.150 nan 0.000 0.458 1342 M N -1.641 117.951 119.600 -0.014 0.000 2.486 1342 M HA 0.223 4.708 4.480 0.009 0.000 0.264 1342 M C 2.111 178.417 176.300 0.011 0.000 1.125 1342 M CA 0.548 55.849 55.300 0.002 0.000 1.144 1342 M CB -1.051 31.542 32.600 -0.012 0.000 1.353 1342 M HN 0.433 nan 8.290 nan 0.000 0.466 1343 L N -0.683 120.541 121.223 0.001 0.000 2.079 1343 L HA -0.262 4.083 4.340 0.009 0.000 0.210 1343 L C 2.575 179.488 176.870 0.071 0.000 1.081 1343 L CA 1.484 56.335 54.840 0.018 0.000 0.752 1343 L CB -0.387 41.669 42.059 -0.006 0.000 0.896 1343 L HN 0.171 nan 8.230 nan 0.000 0.433 1344 Y N 0.730 120.984 120.300 -0.078 0.000 2.153 1344 Y HA -0.216 4.339 4.550 0.009 0.000 0.289 1344 Y C 2.501 178.355 175.900 -0.077 0.000 1.127 1344 Y CA 1.451 59.495 58.100 -0.093 0.000 1.131 1344 Y CB -0.168 38.221 38.460 -0.118 0.000 0.995 1344 Y HN -0.023 nan 8.280 nan 0.000 0.505 1345 K N -0.051 120.364 120.400 0.025 0.000 2.293 1345 K HA -0.229 4.097 4.320 0.009 0.000 0.204 1345 K C 1.940 178.486 176.600 -0.090 0.000 1.045 1345 K CA 1.556 57.811 56.287 -0.054 0.000 0.933 1345 K CB -0.174 32.324 32.500 -0.002 0.000 0.736 1345 K HN 0.364 nan 8.250 nan 0.000 0.463 1346 R N -0.091 120.369 120.500 -0.067 0.000 2.275 1346 R HA -0.000 4.345 4.340 0.009 0.000 0.199 1346 R C 1.507 177.752 176.300 -0.091 0.000 0.989 1346 R CA 0.346 56.406 56.100 -0.067 0.000 1.016 1346 R CB -0.014 30.266 30.300 -0.035 0.000 0.918 1346 R HN 0.070 nan 8.270 nan 0.000 0.473 1347 I N 0.570 121.058 120.570 -0.137 0.000 2.803 1347 I HA -0.141 4.034 4.170 0.009 0.000 0.227 1347 I C 1.478 177.494 176.117 -0.169 0.000 1.053 1347 I CA 1.374 62.584 61.300 -0.151 0.000 1.413 1347 I CB -0.212 37.681 38.000 -0.179 0.000 1.247 1347 I HN 0.050 nan 8.210 nan 0.000 0.423 1348 N N -0.523 118.034 118.700 -0.238 0.000 3.153 1348 N HA 0.215 4.960 4.740 0.009 0.000 0.177 1348 N C -2.084 173.333 175.510 -0.154 0.000 1.389 1348 N CA -0.050 52.893 53.050 -0.178 0.000 1.117 1348 N CB -1.756 36.641 38.487 -0.148 0.000 1.201 1348 N HN 0.117 nan 8.380 nan 0.000 0.503 1349 P HA -0.104 nan 4.420 nan 0.000 0.259 1349 P C -0.595 176.691 177.300 -0.022 0.000 1.163 1349 P CA 0.688 63.736 63.100 -0.086 0.000 0.760 1349 P CB 0.113 31.751 31.700 -0.105 0.000 0.762 1350 H N 3.509 122.526 119.070 -0.088 0.000 2.767 1350 H HA 0.399 4.960 4.556 0.009 0.000 0.316 1350 H C -0.054 175.242 175.328 -0.054 0.000 1.059 1350 H CA -0.605 55.402 56.048 -0.069 0.000 1.461 1350 H CB 0.290 30.022 29.762 -0.050 0.000 1.475 1350 H HN 0.319 nan 8.280 nan 0.000 0.531 1351 I N 3.240 123.860 120.570 0.082 0.000 2.865 1351 I HA 0.217 4.392 4.170 0.009 0.000 0.302 1351 I C -0.135 175.949 176.117 -0.055 0.000 1.140 1351 I CA -1.089 60.188 61.300 -0.038 0.000 1.021 1351 I CB 2.517 40.523 38.000 0.010 0.000 1.233 1351 I HN 0.596 nan 8.210 nan 0.000 0.427 1359 Q N 0.960 120.767 119.800 0.012 0.000 2.364 1359 Q HA 0.001 4.346 4.340 0.009 0.000 0.207 1359 Q C 1.498 177.507 176.000 0.015 0.000 0.970 1359 Q CA 1.892 57.704 55.803 0.016 0.000 0.888 1359 Q CB -0.388 28.362 28.738 0.020 0.000 0.951 1359 Q HN 0.557 nan 8.270 nan 0.000 0.469 1360 T N 0.351 114.912 114.554 0.011 0.000 2.978 1360 T HA 0.053 4.408 4.350 0.009 0.000 0.262 1360 T C 1.860 176.560 174.700 0.001 0.000 1.063 1360 T CA 0.504 62.610 62.100 0.009 0.000 1.140 1360 T CB 0.015 68.888 68.868 0.008 0.000 0.886 1360 T HN 0.190 nan 8.240 nan 0.000 0.470 1361 I N 1.465 122.034 120.570 -0.002 0.000 2.617 1361 I HA 0.075 4.250 4.170 0.009 0.000 0.256 1361 I C 2.810 178.893 176.117 -0.057 0.000 1.167 1361 I CA 0.769 62.057 61.300 -0.021 0.000 1.469 1361 I CB -0.477 37.527 38.000 0.007 0.000 1.098 1361 I HN 0.323 nan 8.210 nan 0.000 0.436 1362 G N 0.537 109.316 108.800 -0.035 0.000 2.394 1362 G HA2 -0.245 3.720 3.960 0.009 0.000 0.214 1362 G HA3 -0.245 3.720 3.960 0.009 0.000 0.214 1362 G C 1.480 176.381 174.900 0.002 0.000 1.176 1362 G CA 0.601 45.677 45.100 -0.041 0.000 0.786 1362 G HN 0.416 nan 8.290 nan 0.000 0.533 1363 E N 0.757 120.974 120.200 0.028 0.000 2.033 1363 E HA -0.220 4.136 4.350 0.009 0.000 0.199 1363 E C 2.242 178.867 176.600 0.041 0.000 1.011 1363 E CA 1.537 57.971 56.400 0.057 0.000 0.815 1363 E CB -0.262 29.466 29.700 0.046 0.000 0.755 1363 E HN 0.575 nan 8.360 nan 0.000 0.451 1364 E N 0.125 120.325 120.200 -0.000 0.000 2.273 1364 E HA -0.191 4.165 4.350 0.009 0.000 0.198 1364 E C 2.038 178.601 176.600 -0.062 0.000 1.002 1364 E CA 0.828 57.210 56.400 -0.029 0.000 0.828 1364 E CB -0.126 29.544 29.700 -0.049 0.000 0.747 1364 E HN 0.410 nan 8.360 nan 0.000 0.491 1365 L N 0.186 121.366 121.223 -0.073 0.000 2.599 1365 L HA -0.059 4.287 4.340 0.009 0.000 0.230 1365 L C 1.472 178.429 176.870 0.146 0.000 1.141 1365 L CA -0.004 54.766 54.840 -0.116 0.000 0.877 1365 L CB 0.131 42.075 42.059 -0.192 0.000 1.009 1365 L HN 0.131 nan 8.230 nan 0.000 0.447 1366 L N -1.329 119.998 121.223 0.174 0.000 2.425 1366 L HA 0.094 4.440 4.340 0.009 0.000 0.215 1366 L C 0.744 177.756 176.870 0.237 0.000 1.065 1366 L CA 0.639 55.614 54.840 0.225 0.000 0.842 1366 L CB -0.181 42.002 42.059 0.206 0.000 1.033 1366 L HN -0.022 nan 8.230 nan 0.000 0.474 1367 D N -0.502 120.016 120.400 0.197 0.000 2.356 1367 D HA -0.101 4.544 4.640 0.009 0.000 0.272 1367 D C 1.343 177.809 176.300 0.276 0.000 1.337 1367 D CA 0.120 54.237 54.000 0.195 0.000 0.970 1367 D CB 0.331 41.188 40.800 0.095 0.000 1.092 1367 D HN 0.243 nan 8.370 nan 0.000 0.516 1368 Y N 5.300 125.646 120.300 0.078 0.000 2.096 1368 Y HA -0.362 4.194 4.550 0.009 0.000 0.278 1368 Y C 1.961 177.923 175.900 0.103 0.000 1.192 1368 Y CA 2.168 60.281 58.100 0.021 0.000 1.143 1368 Y CB -0.821 37.573 38.460 -0.110 0.000 0.963 1368 Y HN 0.458 nan 8.280 nan 0.000 0.505 1369 R N 0.321 120.252 120.500 -0.949 0.000 2.170 1369 R HA -0.191 4.154 4.340 0.009 0.000 0.242 1369 R C 1.643 177.736 176.300 -0.345 0.000 1.145 1369 R CA 1.691 57.282 56.100 -0.849 0.000 0.984 1369 R CB -0.935 28.976 30.300 -0.648 0.000 0.869 1369 R HN 0.388 nan 8.270 nan 0.000 0.455 1370 N N 0.048 118.629 118.700 -0.198 0.000 2.512 1370 N HA -0.096 4.649 4.740 0.009 0.000 0.183 1370 N C 0.493 175.728 175.510 -0.459 0.000 1.073 1370 N CA 0.818 53.703 53.050 -0.274 0.000 0.911 1370 N CB -0.001 38.339 38.487 -0.246 0.000 0.964 1370 N HN 0.359 nan 8.380 nan 0.000 0.447 1371 Y N -0.028 120.048 120.300 -0.374 0.000 2.544 1371 Y HA 0.137 4.693 4.550 0.009 0.000 0.286 1371 Y C 0.525 176.294 175.900 -0.218 0.000 1.141 1371 Y CA 0.160 58.082 58.100 -0.297 0.000 1.299 1371 Y CB 0.371 38.762 38.460 -0.114 0.000 1.030 1371 Y HN -0.080 nan 8.280 nan 0.000 0.543 1372 L N -0.850 120.310 121.223 -0.105 0.000 2.298 1372 L HA 0.417 4.763 4.340 0.009 0.000 0.268 1372 L C -0.913 175.893 176.870 -0.107 0.000 1.010 1372 L CA -0.858 53.927 54.840 -0.092 0.000 0.812 1372 L CB 1.364 43.355 42.059 -0.112 0.000 1.331 1372 L HN -0.215 nan 8.230 nan 0.000 0.450 1373 D N 0.062 120.419 120.400 -0.073 0.000 2.478 1373 D HA 0.439 5.085 4.640 0.009 0.000 0.240 1373 D C -1.385 174.881 176.300 -0.056 0.000 1.364 1373 D CA -0.238 53.725 54.000 -0.061 0.000 0.987 1373 D CB 0.701 41.480 40.800 -0.036 0.000 1.328 1373 D HN 0.294 nan 8.370 nan 0.000 0.584 1374 L N 2.091 123.277 121.223 -0.062 0.000 2.399 1374 L HA 0.647 4.992 4.340 0.009 0.000 0.265 1374 L C 0.511 177.349 176.870 -0.053 0.000 1.089 1374 L CA -0.646 54.158 54.840 -0.061 0.000 0.802 1374 L CB 1.484 43.504 42.059 -0.065 0.000 1.180 1374 L HN 0.442 nan 8.230 nan 0.000 0.454 1375 E N -0.055 120.108 120.200 -0.062 0.000 2.449 1375 E HA 0.600 4.956 4.350 0.009 0.000 0.278 1375 E C -1.916 174.642 176.600 -0.071 0.000 0.992 1375 E CA -0.658 55.707 56.400 -0.058 0.000 0.807 1375 E CB 3.017 32.684 29.700 -0.056 0.000 1.350 1375 E HN 0.222 nan 8.360 nan 0.000 0.462 1376 V N 2.339 122.217 119.914 -0.060 0.000 2.488 1376 V HA 0.300 4.425 4.120 0.009 0.000 0.293 1376 V C -1.161 174.914 176.094 -0.032 0.000 1.027 1376 V CA -0.638 61.625 62.300 -0.061 0.000 0.862 1376 V CB 1.592 33.381 31.823 -0.056 0.000 1.008 1376 V HN 0.572 nan 8.190 nan 0.000 0.428 1377 E N 2.501 122.678 120.200 -0.038 0.000 2.183 1377 E HA 0.609 4.965 4.350 0.009 0.000 0.271 1377 E C -0.218 176.510 176.600 0.213 0.000 0.919 1377 E CA -0.647 55.790 56.400 0.062 0.000 0.781 1377 E CB 2.371 32.096 29.700 0.042 0.000 1.140 1377 E HN 0.743 nan 8.360 nan 0.000 0.402 1378 T N -0.144 114.567 114.554 0.261 0.000 2.881 1378 T HA 0.542 4.897 4.350 0.009 0.000 0.278 1378 T C -0.355 174.559 174.700 0.357 0.000 0.982 1378 T CA -0.893 61.378 62.100 0.285 0.000 0.989 1378 T CB 0.924 69.866 68.868 0.124 0.000 1.058 1378 T HN 0.218 nan 8.240 nan 0.000 0.529 1379 L N 0.783 122.049 121.223 0.072 0.000 2.362 1379 L HA 0.710 5.055 4.340 0.009 0.000 0.275 1379 L C -0.380 176.359 176.870 -0.219 0.000 0.998 1379 L CA -0.549 54.061 54.840 -0.383 0.000 0.820 1379 L CB 1.491 42.966 42.059 -0.974 0.000 1.270 1379 L HN 0.864 nan 8.230 nan 0.000 0.415 1380 R N 2.332 122.704 120.500 -0.213 0.000 3.121 1380 R HA 0.675 5.021 4.340 0.009 0.000 0.242 1380 R C 0.422 176.641 176.300 -0.135 0.000 1.402 1380 R CA -0.536 55.497 56.100 -0.111 0.000 1.042 1380 R CB 0.479 30.763 30.300 -0.027 0.000 1.410 1380 R HN 0.638 nan 8.270 nan 0.000 0.494 1381 G N -0.400 108.356 108.800 -0.074 0.000 2.921 1381 G HA2 0.170 4.136 3.960 0.009 0.000 0.213 1381 G HA3 0.170 4.136 3.960 0.009 0.000 0.213 1381 G C 0.804 175.674 174.900 -0.051 0.000 1.143 1381 G CA 0.559 45.614 45.100 -0.075 0.000 0.764 1381 G HN 0.551 nan 8.290 nan 0.000 0.542 1382 A N 0.862 123.680 122.820 -0.003 0.000 2.582 1382 A HA 0.177 4.502 4.320 0.009 0.000 0.183 1382 A C 1.359 178.974 177.584 0.052 0.000 1.414 1382 A CA 0.742 52.819 52.037 0.066 0.000 0.708 1382 A CB -0.703 18.392 19.000 0.158 0.000 1.020 1382 A HN 0.226 nan 8.150 nan 0.000 0.517 1383 Y N 0.812 121.096 120.300 -0.027 0.000 2.506 1383 Y HA 0.319 4.874 4.550 0.009 0.000 0.333 1383 Y C 1.891 177.774 175.900 -0.028 0.000 1.177 1383 Y CA 0.272 58.365 58.100 -0.012 0.000 1.292 1383 Y CB -0.641 37.828 38.460 0.015 0.000 1.124 1383 Y HN 0.798 nan 8.280 nan 0.000 0.507 1384 G N 0.047 108.839 108.800 -0.014 0.000 3.581 1384 G HA2 -0.368 3.598 3.960 0.009 0.000 0.336 1384 G HA3 -0.368 3.598 3.960 0.009 0.000 0.336 1384 G C 0.148 174.902 174.900 -0.243 0.000 1.259 1384 G CA 0.506 45.492 45.100 -0.189 0.000 1.001 1384 G HN 0.444 nan 8.290 nan 0.000 0.662 1385 W N 0.008 121.347 121.300 0.066 0.000 2.496 1385 W HA 0.799 5.464 4.660 0.009 0.000 0.327 1385 W C 0.322 176.878 176.519 0.061 0.000 1.086 1385 W CA -0.873 56.502 57.345 0.049 0.000 1.222 1385 W CB 1.622 31.102 29.460 0.033 0.000 1.304 1385 W HN 0.542 nan 8.180 nan 0.000 0.547 1386 M N 2.391 122.203 119.600 0.354 0.000 2.490 1386 M HA 0.229 4.714 4.480 0.009 0.000 0.286 1386 M C -0.629 175.754 176.300 0.139 0.000 1.185 1386 M CA -0.881 54.530 55.300 0.186 0.000 0.912 1386 M CB 1.858 34.527 32.600 0.115 0.000 1.744 1386 M HN 0.423 nan 8.290 nan 0.000 0.494 1387 R N 2.142 122.686 120.500 0.073 0.000 2.570 1387 R HA 0.592 4.938 4.340 0.009 0.000 0.277 1387 R C -0.600 175.720 176.300 0.035 0.000 1.039 1387 R CA 0.426 56.550 56.100 0.040 0.000 1.065 1387 R CB 0.490 30.797 30.300 0.013 0.000 0.964 1387 R HN 0.824 nan 8.270 nan 0.000 0.428 1388 A N 4.034 126.870 122.820 0.027 0.000 2.492 1388 A HA 0.082 4.408 4.320 0.009 0.000 0.254 1388 A C -0.362 177.225 177.584 0.005 0.000 1.091 1388 A CA 0.036 52.084 52.037 0.018 0.000 0.768 1388 A CB 0.379 19.382 19.000 0.005 0.000 1.028 1388 A HN 0.768 nan 8.150 nan 0.000 0.498 1389 E N 1.779 121.983 120.200 0.005 0.000 2.265 1389 E HA 0.408 4.763 4.350 0.009 0.000 0.262 1389 E C 0.159 176.760 176.600 0.001 0.000 0.889 1389 E CA -0.331 56.069 56.400 -0.001 0.000 0.789 1389 E CB 1.316 31.012 29.700 -0.006 0.000 1.221 1389 E HN 0.393 nan 8.360 nan 0.000 0.414 1390 S N 1.808 117.507 115.700 -0.001 0.000 2.641 1390 S HA -0.040 4.435 4.470 0.009 0.000 0.239 1390 S C 0.835 175.437 174.600 0.004 0.000 0.972 1390 S CA 0.913 59.115 58.200 0.003 0.000 0.954 1390 S CB -0.012 63.188 63.200 -0.000 0.000 0.767 1390 S HN 0.441 nan 8.310 nan 0.000 0.539 1391 S N 0.377 116.077 115.700 0.000 0.000 2.613 1391 S HA 0.321 4.796 4.470 0.009 0.000 0.235 1391 S C 1.717 176.315 174.600 -0.002 0.000 1.073 1391 S CA 0.201 58.400 58.200 -0.001 0.000 0.899 1391 S CB 0.278 63.474 63.200 -0.006 0.000 0.818 1391 S HN 0.518 nan 8.310 nan 0.000 0.484 1392 A N 0.828 123.646 122.820 -0.004 0.000 2.308 1392 A HA 0.535 4.861 4.320 0.009 0.000 0.217 1392 A C 0.338 177.925 177.584 0.005 0.000 1.216 1392 A CA 0.070 52.103 52.037 -0.006 0.000 0.864 1392 A CB -0.012 18.978 19.000 -0.018 0.000 0.902 1392 A HN 0.365 nan 8.150 nan 0.000 0.499 1393 L N 0.499 121.730 121.223 0.013 0.000 2.365 1393 L HA 0.401 4.747 4.340 0.009 0.000 0.273 1393 L C 0.713 177.599 176.870 0.028 0.000 1.000 1393 L CA -0.770 54.084 54.840 0.024 0.000 0.819 1393 L CB 2.056 44.133 42.059 0.030 0.000 1.284 1393 L HN 0.271 nan 8.230 nan 0.000 0.418 1394 S N 1.058 116.778 115.700 0.034 0.000 2.598 1394 S HA 0.088 4.563 4.470 0.009 0.000 0.256 1394 S C 1.087 175.712 174.600 0.043 0.000 1.350 1394 S CA 0.227 58.447 58.200 0.034 0.000 0.984 1394 S CB 0.849 64.070 63.200 0.035 0.000 0.930 1394 S HN 0.676 nan 8.310 nan 0.000 0.577 1395 T N 1.957 116.535 114.554 0.040 0.000 2.452 1395 T HA -0.061 4.295 4.350 0.009 0.000 0.251 1395 T C 2.048 176.788 174.700 0.066 0.000 1.232 1395 T CA 1.844 63.972 62.100 0.046 0.000 1.226 1395 T CB -1.592 67.300 68.868 0.040 0.000 0.864 1395 T HN 0.931 nan 8.240 nan 0.000 0.399 1396 G N 1.252 110.095 108.800 0.072 0.000 2.556 1396 G HA2 -0.324 3.641 3.960 0.009 0.000 0.220 1396 G HA3 -0.324 3.641 3.960 0.009 0.000 0.220 1396 G C 1.421 176.428 174.900 0.178 0.000 1.156 1396 G CA 1.432 46.598 45.100 0.110 0.000 0.766 1396 G HN 0.671 nan 8.290 nan 0.000 0.583 1397 E N 0.477 120.763 120.200 0.144 0.000 2.114 1397 E HA -0.209 4.147 4.350 0.009 0.000 0.199 1397 E C 2.839 179.506 176.600 0.112 0.000 1.008 1397 E CA 1.129 57.622 56.400 0.156 0.000 0.810 1397 E CB -0.244 29.514 29.700 0.097 0.000 0.739 1397 E HN 0.499 nan 8.360 nan 0.000 0.456 1398 A N 0.676 123.543 122.820 0.079 0.000 2.021 1398 A HA -0.019 4.306 4.320 0.009 0.000 0.216 1398 A C 2.097 179.708 177.584 0.046 0.000 1.163 1398 A CA 0.336 52.399 52.037 0.044 0.000 0.676 1398 A CB -0.265 18.754 19.000 0.032 0.000 0.818 1398 A HN 0.101 nan 8.150 nan 0.000 0.453 1399 I N -0.193 120.431 120.570 0.089 0.000 2.179 1399 I HA -0.218 3.958 4.170 0.009 0.000 0.242 1399 I C 2.650 178.830 176.117 0.105 0.000 1.088 1399 I CA 1.422 62.782 61.300 0.101 0.000 1.357 1399 I CB -0.539 37.539 38.000 0.132 0.000 1.051 1399 I HN 0.396 nan 8.210 nan 0.000 0.409 1400 G N -0.340 108.571 108.800 0.185 0.000 2.421 1400 G HA2 -0.156 3.809 3.960 0.009 0.000 0.217 1400 G HA3 -0.156 3.809 3.960 0.009 0.000 0.217 1400 G C 1.633 176.352 174.900 -0.302 0.000 1.143 1400 G CA 0.961 46.012 45.100 -0.082 0.000 0.784 1400 G HN 0.250 nan 8.290 nan 0.000 0.541 1401 T N 0.982 115.446 114.554 -0.150 0.000 2.684 1401 T HA -0.070 4.285 4.350 0.009 0.000 0.267 1401 T C 2.503 177.135 174.700 -0.114 0.000 1.036 1401 T CA 1.589 63.611 62.100 -0.131 0.000 1.148 1401 T CB -0.521 68.316 68.868 -0.052 0.000 0.863 1401 T HN 0.338 nan 8.240 nan 0.000 0.436 1402 G N 0.922 109.675 108.800 -0.078 0.000 2.408 1402 G HA2 -0.195 3.770 3.960 0.009 0.000 0.217 1402 G HA3 -0.195 3.770 3.960 0.009 0.000 0.217 1402 G C 1.543 176.386 174.900 -0.096 0.000 1.150 1402 G CA 1.016 46.068 45.100 -0.079 0.000 0.776 1402 G HN 0.325 nan 8.290 nan 0.000 0.542 1403 M N 1.620 121.166 119.600 -0.090 0.000 2.106 1403 M HA -0.063 4.422 4.480 0.009 0.000 0.259 1403 M C 2.620 178.847 176.300 -0.121 0.000 1.068 1403 M CA 1.557 56.802 55.300 -0.091 0.000 1.100 1403 M CB -0.512 32.052 32.600 -0.060 0.000 1.351 1403 M HN 0.183 nan 8.290 nan 0.000 0.404 1404 S N 0.430 116.033 115.700 -0.161 0.000 2.349 1404 S HA -0.112 4.364 4.470 0.009 0.000 0.216 1404 S C 1.909 176.437 174.600 -0.120 0.000 1.033 1404 S CA 1.762 59.874 58.200 -0.147 0.000 1.021 1404 S CB -0.680 62.421 63.200 -0.164 0.000 0.968 1404 S HN 0.589 nan 8.310 nan 0.000 0.426 1405 I N 1.299 121.796 120.570 -0.122 0.000 2.182 1405 I HA -0.280 3.895 4.170 0.009 0.000 0.248 1405 I C 2.218 178.246 176.117 -0.149 0.000 1.073 1405 I CA 1.165 62.387 61.300 -0.130 0.000 1.335 1405 I CB -0.588 37.333 38.000 -0.132 0.000 1.031 1405 I HN 0.188 nan 8.210 nan 0.000 0.420 1406 L N 0.157 121.297 121.223 -0.139 0.000 2.012 1406 L HA -0.218 4.128 4.340 0.009 0.000 0.210 1406 L C 2.452 179.260 176.870 -0.103 0.000 1.073 1406 L CA 1.788 56.548 54.840 -0.134 0.000 0.748 1406 L CB -0.649 41.344 42.059 -0.109 0.000 0.891 1406 L HN 0.184 nan 8.230 nan 0.000 0.431 1407 L N -1.729 119.441 121.223 -0.088 0.000 1.990 1407 L HA -0.327 4.018 4.340 0.009 0.000 0.213 1407 L C 2.607 179.441 176.870 -0.061 0.000 1.072 1407 L CA 1.759 56.562 54.840 -0.061 0.000 0.755 1407 L CB -0.620 41.402 42.059 -0.061 0.000 0.889 1407 L HN 0.319 nan 8.230 nan 0.000 0.432 1408 M N -0.673 118.876 119.600 -0.084 0.000 2.089 1408 M HA -0.243 4.243 4.480 0.009 0.000 0.257 1408 M C 2.242 178.469 176.300 -0.121 0.000 1.071 1408 M CA 1.752 56.998 55.300 -0.088 0.000 1.096 1408 M CB -0.451 32.090 32.600 -0.099 0.000 1.330 1408 M HN 0.104 nan 8.290 nan 0.000 0.403 1409 V N -0.761 119.039 119.914 -0.189 0.000 2.295 1409 V HA -0.212 3.913 4.120 0.009 0.000 0.246 1409 V C 2.273 178.229 176.094 -0.230 0.000 1.049 1409 V CA 1.669 63.755 62.300 -0.358 0.000 1.024 1409 V CB -0.808 30.713 31.823 -0.504 0.000 0.648 1409 V HN 0.311 nan 8.190 nan 0.000 0.447 1410 V N -0.238 119.675 119.914 -0.002 0.000 2.392 1410 V HA -0.324 3.801 4.120 0.009 0.000 0.249 1410 V C 2.465 178.674 176.094 0.192 0.000 1.059 1410 V CA 2.075 64.516 62.300 0.234 0.000 1.051 1410 V CB -0.816 31.098 31.823 0.151 0.000 0.658 1410 V HN 0.588 nan 8.190 nan 0.000 0.455 1411 Q N -0.519 119.326 119.800 0.076 0.000 2.020 1411 Q HA -0.150 4.196 4.340 0.009 0.000 0.198 1411 Q C 2.599 178.646 176.000 0.078 0.000 0.974 1411 Q CA 1.649 57.492 55.803 0.066 0.000 0.829 1411 Q CB -0.390 28.361 28.738 0.021 0.000 0.894 1411 Q HN 0.574 nan 8.270 nan 0.000 0.433 1412 S N -0.024 115.687 115.700 0.018 0.000 2.380 1412 S HA -0.185 4.290 4.470 0.009 0.000 0.229 1412 S C 1.458 176.121 174.600 0.106 0.000 1.043 1412 S CA 1.097 59.300 58.200 0.005 0.000 1.038 1412 S CB -0.188 62.953 63.200 -0.099 0.000 0.872 1412 S HN 0.435 nan 8.310 nan 0.000 0.456 1413 W N 1.638 122.965 121.300 0.045 0.000 2.353 1413 W HA -0.024 4.642 4.660 0.010 0.000 0.319 1413 W C 2.471 179.013 176.519 0.038 0.000 1.207 1413 W CA 1.059 58.428 57.345 0.041 0.000 1.291 1413 W CB -1.464 28.024 29.460 0.048 0.000 1.159 1413 W HN 0.507 nan 8.180 nan 0.000 0.478 1414 E N 0.099 120.479 120.200 0.299 0.000 2.169 1414 E HA -0.279 4.076 4.350 0.009 0.000 0.202 1414 E C 1.970 178.649 176.600 0.133 0.000 1.016 1414 E CA 1.884 58.388 56.400 0.173 0.000 0.817 1414 E CB -0.083 29.690 29.700 0.122 0.000 0.736 1414 E HN 0.066 nan 8.360 nan 0.000 0.462 1415 E N 0.335 120.608 120.200 0.123 0.000 2.047 1415 E HA -0.181 4.175 4.350 0.009 0.000 0.191 1415 E C 1.789 178.444 176.600 0.092 0.000 0.987 1415 E CA 0.845 57.296 56.400 0.085 0.000 0.799 1415 E CB -0.144 29.593 29.700 0.063 0.000 0.752 1415 E HN 0.404 nan 8.360 nan 0.000 0.449 1416 E N 0.212 120.488 120.200 0.127 0.000 2.515 1416 E HA -0.068 4.288 4.350 0.009 0.000 0.201 1416 E C 1.185 177.851 176.600 0.110 0.000 1.071 1416 E CA 0.256 56.725 56.400 0.114 0.000 0.880 1416 E CB 0.309 30.102 29.700 0.154 0.000 0.828 1416 E HN 0.016 nan 8.360 nan 0.000 0.540 1417 S N -0.161 115.621 115.700 0.138 0.000 2.339 1417 S HA 0.072 4.547 4.470 0.009 0.000 0.189 1417 S C 1.353 176.046 174.600 0.154 0.000 0.966 1417 S CA -0.163 58.155 58.200 0.196 0.000 0.925 1417 S CB -0.181 63.187 63.200 0.280 0.000 0.890 1417 S HN 0.208 nan 8.310 nan 0.000 0.539 1418 R N 0.962 121.517 120.500 0.091 0.000 2.362 1418 R HA -0.303 4.042 4.340 0.009 0.000 0.211 1418 R C 2.186 178.498 176.300 0.021 0.000 1.022 1418 R CA 2.228 58.342 56.100 0.024 0.000 0.630 1418 R CB -0.874 29.435 30.300 0.015 0.000 0.874 1418 R HN 0.308 nan 8.270 nan 0.000 0.324 1419 R N -0.403 120.116 120.500 0.032 0.000 2.140 1419 R HA -0.147 4.198 4.340 0.009 0.000 0.250 1419 R C 1.925 178.245 176.300 0.033 0.000 1.150 1419 R CA 1.543 57.657 56.100 0.023 0.000 0.966 1419 R CB -0.390 29.923 30.300 0.021 0.000 0.869 1419 R HN 0.401 nan 8.270 nan 0.000 0.445 1420 M N 0.071 119.717 119.600 0.077 0.000 2.505 1420 M HA 0.124 4.609 4.480 0.009 0.000 0.230 1420 M C 0.873 177.240 176.300 0.111 0.000 1.153 1420 M CA 0.187 55.553 55.300 0.110 0.000 0.997 1420 M CB -0.288 32.404 32.600 0.154 0.000 1.606 1420 M HN 0.032 nan 8.290 nan 0.000 0.481 1421 R N -0.250 120.249 120.500 -0.001 0.000 3.055 1421 R HA 0.772 5.117 4.340 0.009 0.000 0.231 1421 R C -0.890 175.332 176.300 -0.129 0.000 1.443 1421 R CA -0.480 55.517 56.100 -0.172 0.000 1.063 1421 R CB 1.415 31.543 30.300 -0.286 0.000 1.514 1421 R HN 0.111 nan 8.270 nan 0.000 0.510 1422 A N 1.479 124.197 122.820 -0.171 0.000 2.301 1422 A HA 0.236 4.562 4.320 0.009 0.000 0.298 1422 A C 0.390 177.916 177.584 -0.096 0.000 1.185 1422 A CA -0.524 51.441 52.037 -0.119 0.000 0.830 1422 A CB 0.814 19.735 19.000 -0.131 0.000 1.112 1422 A HN 0.706 nan 8.150 nan 0.000 0.508 1423 K N 1.651 122.011 120.400 -0.067 0.000 2.293 1423 K HA -0.157 4.169 4.320 0.009 0.000 0.204 1423 K C 0.435 177.002 176.600 -0.055 0.000 1.045 1423 K CA 1.682 57.937 56.287 -0.052 0.000 0.933 1423 K CB -0.037 32.440 32.500 -0.038 0.000 0.736 1423 K HN 0.902 nan 8.250 nan 0.000 0.463 1424 D N 0.031 120.392 120.400 -0.065 0.000 2.643 1424 D HA 0.049 4.695 4.640 0.009 0.000 0.244 1424 D C -0.278 175.973 176.300 -0.081 0.000 1.257 1424 D CA -0.259 53.704 54.000 -0.062 0.000 0.831 1424 D CB 0.150 40.918 40.800 -0.054 0.000 1.043 1424 D HN -0.115 nan 8.370 nan 0.000 0.488 1425 I N 1.283 121.793 120.570 -0.100 0.000 2.466 1425 I HA 0.343 4.518 4.170 0.009 0.000 0.289 1425 I C -0.405 175.641 176.117 -0.119 0.000 1.026 1425 I CA -0.891 60.332 61.300 -0.128 0.000 1.078 1425 I CB 2.060 39.949 38.000 -0.186 0.000 1.249 1425 I HN 0.048 nan 8.210 nan 0.000 0.429 1426 L N 7.787 128.947 121.223 -0.105 0.000 2.366 1426 L HA 0.367 4.713 4.340 0.009 0.000 0.266 1426 L C -2.257 174.559 176.870 -0.090 0.000 1.010 1426 L CA -1.658 53.134 54.840 -0.080 0.000 0.879 1426 L CB 1.714 43.743 42.059 -0.050 0.000 1.228 1426 L HN 0.270 nan 8.230 nan 0.000 0.439 1427 P HA -0.021 nan 4.420 nan 0.000 0.263 1427 P C -0.057 177.222 177.300 -0.035 0.000 1.195 1427 P CA -0.335 62.706 63.100 -0.099 0.000 0.762 1427 P CB 0.486 32.134 31.700 -0.088 0.000 0.799 1428 C N 4.090 123.359 119.300 -0.052 0.000 2.634 1428 C HA 0.324 4.789 4.460 0.009 0.000 0.418 1428 C C 0.726 175.852 174.990 0.226 0.000 1.373 1428 C CA -0.798 58.257 59.018 0.061 0.000 1.756 1428 C CB -0.867 26.825 27.740 -0.081 0.000 2.589 1428 C HN 0.495 nan 8.230 nan 0.000 0.602 1429 R N 2.371 122.978 120.500 0.178 0.000 2.445 1429 R HA 0.837 5.182 4.340 0.009 0.000 0.308 1429 R C -0.854 175.435 176.300 -0.019 0.000 0.961 1429 R CA -0.518 55.642 56.100 0.100 0.000 0.862 1429 R CB 1.500 31.826 30.300 0.045 0.000 1.144 1429 R HN 0.891 nan 8.270 nan 0.000 0.447 1430 L N 3.537 124.645 121.223 -0.192 0.000 2.505 1430 L HA 0.538 4.883 4.340 0.009 0.000 0.259 1430 L C -1.938 174.531 176.870 -0.669 0.000 0.952 1430 L CA -0.896 53.650 54.840 -0.491 0.000 0.840 1430 L CB 1.837 43.384 42.059 -0.853 0.000 1.358 1430 L HN 0.461 nan 8.230 nan 0.000 0.409 1431 L N 2.537 123.331 121.223 -0.714 0.000 2.277 1431 L HA 0.694 5.040 4.340 0.009 0.000 0.254 1431 L C -0.966 175.364 176.870 -0.900 0.000 1.044 1431 L CA -0.145 54.238 54.840 -0.761 0.000 0.842 1431 L CB 2.069 43.913 42.059 -0.357 0.000 1.422 1431 L HN 0.406 nan 8.230 nan 0.000 0.422 1432 F N 0.232 120.040 119.950 -0.238 0.000 2.712 1432 F HA 0.841 5.373 4.527 0.008 0.000 0.367 1432 F C -0.707 175.017 175.800 -0.127 0.000 1.132 1432 F CA -0.943 56.936 58.000 -0.202 0.000 1.066 1432 F CB 1.226 40.081 39.000 -0.241 0.000 1.416 1432 F HN 0.113 nan 8.300 nan 0.000 0.515 1433 L N 1.774 123.080 121.223 0.138 0.000 3.535 1433 L HA 0.237 4.582 4.340 0.009 0.000 0.231 1433 L C -1.540 175.344 176.870 0.023 0.000 0.986 1433 L CA -0.182 54.692 54.840 0.057 0.000 1.318 1433 L CB 0.242 42.333 42.059 0.054 0.000 1.793 1433 L HN 0.501 nan 8.230 nan 0.000 0.685 1434 D N 4.032 124.410 120.400 -0.036 0.000 2.350 1434 D HA 0.384 5.030 4.640 0.009 0.000 0.249 1434 D C -0.160 176.122 176.300 -0.030 0.000 1.119 1434 D CA 0.908 54.867 54.000 -0.068 0.000 0.886 1434 D CB 0.898 41.590 40.800 -0.179 0.000 1.195 1434 D HN 0.467 nan 8.370 nan 0.000 0.437 1435 Q N 1.585 121.380 119.800 -0.008 0.000 2.459 1435 Q HA -0.180 4.166 4.340 0.009 0.000 0.314 1435 Q C 0.366 176.380 176.000 0.024 0.000 1.432 1435 Q CA 0.805 56.614 55.803 0.010 0.000 0.823 1435 Q CB -2.325 26.416 28.738 0.004 0.000 1.124 1435 Q HN 0.572 nan 8.270 nan 0.000 0.392 1436 A N -0.280 122.561 122.820 0.035 0.000 2.248 1436 A HA 0.238 4.564 4.320 0.009 0.000 0.210 1436 A C 2.038 179.643 177.584 0.036 0.000 1.174 1436 A CA 1.251 53.315 52.037 0.044 0.000 0.750 1436 A CB -0.052 18.985 19.000 0.062 0.000 0.780 1436 A HN 0.729 nan 8.150 nan 0.000 0.478 1437 A N 0.140 122.978 122.820 0.031 0.000 2.178 1437 A HA -0.119 4.206 4.320 0.009 0.000 0.218 1437 A C 2.146 179.740 177.584 0.018 0.000 1.157 1437 A CA 1.146 53.197 52.037 0.024 0.000 0.689 1437 A CB -0.385 18.629 19.000 0.024 0.000 0.787 1437 A HN 0.610 nan 8.150 nan 0.000 0.465 1438 R N -0.946 119.567 120.500 0.022 0.000 2.073 1438 R HA 0.013 4.358 4.340 0.009 0.000 0.229 1438 R C -0.379 175.928 176.300 0.013 0.000 1.120 1438 R CA 0.503 56.616 56.100 0.022 0.000 0.967 1438 R CB -0.459 29.861 30.300 0.033 0.000 0.862 1438 R HN 0.392 nan 8.270 nan 0.000 0.436 1439 L N 2.262 123.490 121.223 0.009 0.000 2.290 1439 L HA 0.137 4.482 4.340 0.009 0.000 0.284 1439 L C 0.010 176.851 176.870 -0.048 0.000 1.078 1439 L CA -0.557 54.264 54.840 -0.031 0.000 0.815 1439 L CB 0.691 42.726 42.059 -0.039 0.000 1.162 1439 L HN 0.128 nan 8.230 nan 0.000 0.435 1440 D N 2.071 122.426 120.400 -0.075 0.000 2.398 1440 D HA 0.398 5.044 4.640 0.009 0.000 0.247 1440 D C 1.240 177.489 176.300 -0.084 0.000 1.227 1440 D CA 0.041 54.002 54.000 -0.065 0.000 0.980 1440 D CB 0.778 41.542 40.800 -0.061 0.000 1.106 1440 D HN 0.537 nan 8.370 nan 0.000 0.493 1441 A N 0.593 123.373 122.820 -0.067 0.000 1.881 1441 A HA -0.324 4.002 4.320 0.009 0.000 0.219 1441 A C 2.124 179.646 177.584 -0.103 0.000 1.215 1441 A CA 3.031 55.022 52.037 -0.076 0.000 0.648 1441 A CB -1.158 17.802 19.000 -0.067 0.000 0.832 1441 A HN 0.752 nan 8.150 nan 0.000 0.455 1442 M N 0.367 119.904 119.600 -0.106 0.000 2.088 1442 M HA -0.186 4.299 4.480 0.009 0.000 0.256 1442 M C 2.228 178.405 176.300 -0.205 0.000 1.071 1442 M CA 2.560 57.787 55.300 -0.121 0.000 1.097 1442 M CB -0.713 31.828 32.600 -0.099 0.000 1.315 1442 M HN 0.413 nan 8.290 nan 0.000 0.406 1443 S N 0.573 116.085 115.700 -0.312 0.000 2.365 1443 S HA -0.193 4.283 4.470 0.009 0.000 0.221 1443 S C 1.880 176.206 174.600 -0.457 0.000 1.037 1443 S CA 2.013 59.811 58.200 -0.669 0.000 1.060 1443 S CB -0.891 61.957 63.200 -0.585 0.000 0.974 1443 S HN 0.634 nan 8.310 nan 0.000 0.427 1444 I N 2.023 122.483 120.570 -0.183 0.000 2.143 1444 I HA -0.324 3.851 4.170 0.009 0.000 0.245 1444 I C 2.406 178.600 176.117 0.129 0.000 1.068 1444 I CA 1.525 62.851 61.300 0.043 0.000 1.326 1444 I CB -0.770 37.264 38.000 0.057 0.000 1.028 1444 I HN 0.292 nan 8.210 nan 0.000 0.412 1445 N N 0.734 119.420 118.700 -0.023 0.000 2.002 1445 N HA -0.208 4.538 4.740 0.009 0.000 0.199 1445 N C 1.757 177.333 175.510 0.109 0.000 1.060 1445 N CA 2.636 55.680 53.050 -0.010 0.000 0.867 1445 N CB -0.354 38.100 38.487 -0.056 0.000 1.069 1445 N HN 0.185 nan 8.380 nan 0.000 0.430 1446 T N 0.752 115.349 114.554 0.071 0.000 2.897 1446 T HA -0.087 4.268 4.350 0.009 0.000 0.271 1446 T C 1.788 176.674 174.700 0.310 0.000 1.084 1446 T CA 0.540 62.758 62.100 0.197 0.000 1.123 1446 T CB -0.247 68.791 68.868 0.284 0.000 0.865 1446 T HN 0.214 nan 8.240 nan 0.000 0.496 1447 L N -0.658 120.733 121.223 0.279 0.000 2.093 1447 L HA -0.011 4.334 4.340 0.009 0.000 0.208 1447 L C 2.018 179.028 176.870 0.232 0.000 1.085 1447 L CA 1.257 56.299 54.840 0.335 0.000 0.755 1447 L CB -0.223 41.995 42.059 0.264 0.000 0.904 1447 L HN 0.216 nan 8.230 nan 0.000 0.435 1448 F N 0.608 120.599 119.950 0.069 0.000 2.022 1448 F HA -0.242 4.290 4.527 0.009 0.000 0.293 1448 F C 2.631 178.463 175.800 0.053 0.000 1.142 1448 F CA 1.962 59.993 58.000 0.051 0.000 1.177 1448 F CB -0.590 38.431 39.000 0.035 0.000 0.982 1448 F HN 0.093 nan 8.300 nan 0.000 0.473 1449 E N 0.482 120.847 120.200 0.275 0.000 2.114 1449 E HA -0.283 4.072 4.350 0.009 0.000 0.199 1449 E C 2.282 178.950 176.600 0.114 0.000 1.008 1449 E CA 1.402 57.900 56.400 0.164 0.000 0.810 1449 E CB -0.493 29.286 29.700 0.131 0.000 0.739 1449 E HN 0.417 nan 8.360 nan 0.000 0.456 1450 L N -0.032 121.263 121.223 0.121 0.000 2.450 1450 L HA -0.192 4.154 4.340 0.009 0.000 0.225 1450 L C 1.785 178.679 176.870 0.041 0.000 1.145 1450 L CA 0.638 55.526 54.840 0.080 0.000 0.801 1450 L CB -0.051 42.064 42.059 0.094 0.000 0.924 1450 L HN 0.417 nan 8.230 nan 0.000 0.447 1451 C N -1.319 118.001 119.300 0.033 0.000 3.183 1451 C HA 0.111 4.576 4.460 0.009 0.000 0.285 1451 C C 2.074 177.065 174.990 0.002 0.000 1.313 1451 C CA -0.254 58.757 59.018 -0.012 0.000 1.711 1451 C CB -0.229 27.461 27.740 -0.083 0.000 2.135 1451 C HN 0.489 nan 8.230 nan 0.000 0.651 1452 E N -0.403 119.819 120.200 0.036 0.000 2.364 1452 E HA 0.080 4.435 4.350 0.009 0.000 0.203 1452 E C 2.305 178.928 176.600 0.038 0.000 0.888 1452 E CA -0.106 56.320 56.400 0.042 0.000 0.989 1452 E CB 0.121 29.863 29.700 0.070 0.000 0.985 1452 E HN 0.358 nan 8.360 nan 0.000 0.499 1453 R N 0.200 120.724 120.500 0.040 0.000 2.090 1453 R HA 0.009 4.354 4.340 0.009 0.000 0.228 1453 R C -0.133 176.181 176.300 0.024 0.000 1.110 1453 R CA 0.713 56.833 56.100 0.033 0.000 0.973 1453 R CB 0.214 30.537 30.300 0.037 0.000 0.869 1453 R HN -0.016 nan 8.270 nan 0.000 0.440 1454 L N 2.216 123.452 121.223 0.021 0.000 2.301 1454 L HA 0.177 4.523 4.340 0.009 0.000 0.278 1454 L C -0.854 176.019 176.870 0.006 0.000 1.022 1454 L CA -0.304 54.543 54.840 0.012 0.000 0.854 1454 L CB 1.438 43.502 42.059 0.007 0.000 1.226 1454 L HN -0.075 nan 8.230 nan 0.000 0.429 1455 D N 4.802 125.208 120.400 0.009 0.000 2.554 1455 D HA 0.086 4.731 4.640 0.009 0.000 0.251 1455 D C -0.310 175.990 176.300 -0.000 0.000 1.213 1455 D CA 1.120 55.125 54.000 0.009 0.000 0.900 1455 D CB 0.233 41.041 40.800 0.014 0.000 1.135 1455 D HN 0.397 nan 8.370 nan 0.000 0.522 1456 M N 2.061 121.651 119.600 -0.017 0.000 2.389 1456 M HA 0.086 4.572 4.480 0.009 0.000 0.291 1456 M C -1.487 174.766 176.300 -0.078 0.000 1.128 1456 M CA -0.543 54.730 55.300 -0.045 0.000 0.942 1456 M CB 1.991 34.553 32.600 -0.064 0.000 1.783 1456 M HN 0.093 nan 8.290 nan 0.000 0.501 1457 Q N 3.700 123.439 119.800 -0.103 0.000 2.271 1457 Q HA 0.713 5.058 4.340 0.009 0.000 0.258 1457 Q C -1.442 174.418 176.000 -0.233 0.000 0.936 1457 Q CA -0.522 55.202 55.803 -0.131 0.000 0.909 1457 Q CB 2.229 30.916 28.738 -0.085 0.000 1.253 1457 Q HN 0.567 nan 8.270 nan 0.000 0.440 1458 L N 3.219 124.317 121.223 -0.210 0.000 2.333 1458 L HA 0.454 4.800 4.340 0.009 0.000 0.280 1458 L C -1.036 175.766 176.870 -0.113 0.000 1.004 1458 L CA -1.012 53.693 54.840 -0.225 0.000 0.820 1458 L CB 1.319 43.251 42.059 -0.213 0.000 1.247 1458 L HN 0.389 nan 8.230 nan 0.000 0.416 1459 L N 6.454 127.633 121.223 -0.074 0.000 2.277 1459 L HA 0.598 4.944 4.340 0.009 0.000 0.284 1459 L C -0.404 176.572 176.870 0.177 0.000 1.028 1459 L CA -0.178 54.752 54.840 0.150 0.000 0.835 1459 L CB 0.887 43.154 42.059 0.347 0.000 1.215 1459 L HN 0.487 nan 8.230 nan 0.000 0.425 1460 I N 2.199 122.841 120.570 0.120 0.000 2.646 1460 I HA 0.951 5.127 4.170 0.009 0.000 0.299 1460 I C -0.600 175.570 176.117 0.089 0.000 1.036 1460 I CA -0.912 60.445 61.300 0.096 0.000 1.074 1460 I CB 2.172 40.217 38.000 0.075 0.000 1.258 1460 I HN 0.652 nan 8.210 nan 0.000 0.430 1461 A N 4.575 127.430 122.820 0.058 0.000 2.288 1461 A HA 0.882 5.208 4.320 0.009 0.000 0.320 1461 A C -0.303 177.313 177.584 0.053 0.000 1.217 1461 A CA -0.496 51.572 52.037 0.051 0.000 0.840 1461 A CB 1.032 20.042 19.000 0.017 0.000 1.179 1461 A HN 1.155 nan 8.150 nan 0.000 0.504 1462 A N 4.659 127.520 122.820 0.068 0.000 2.340 1462 A HA 0.729 5.055 4.320 0.009 0.000 0.297 1462 A C -1.869 175.750 177.584 0.058 0.000 1.195 1462 A CA -1.488 50.586 52.037 0.061 0.000 0.769 1462 A CB 1.011 20.054 19.000 0.071 0.000 1.163 1462 A HN 0.534 nan 8.150 nan 0.000 0.472 1463 P HA -0.153 nan 4.420 nan 0.000 0.220 1463 P C 0.527 177.853 177.300 0.043 0.000 1.148 1463 P CA 0.642 63.769 63.100 0.045 0.000 0.803 1463 P CB 0.184 31.906 31.700 0.036 0.000 0.782 1464 E N 0.211 120.435 120.200 0.040 0.000 2.438 1464 E HA -0.058 4.298 4.350 0.009 0.000 0.261 1464 E C 0.705 177.330 176.600 0.041 0.000 1.103 1464 E CA -0.078 56.343 56.400 0.035 0.000 0.959 1464 E CB 0.483 30.202 29.700 0.032 0.000 0.958 1464 E HN 0.039 nan 8.360 nan 0.000 0.447 1465 N N 3.119 121.839 118.700 0.033 0.000 2.358 1465 N HA 0.012 4.758 4.740 0.009 0.000 0.209 1465 N C 0.347 175.876 175.510 0.031 0.000 1.033 1465 N CA 0.081 53.151 53.050 0.034 0.000 1.021 1465 N CB -0.325 38.178 38.487 0.026 0.000 1.244 1465 N HN 0.436 nan 8.380 nan 0.000 0.523 1466 I N 3.308 123.889 120.570 0.020 0.000 3.085 1466 I HA -0.111 4.064 4.170 0.009 0.000 0.302 1466 I C 0.774 176.900 176.117 0.015 0.000 1.234 1466 I CA 0.670 61.977 61.300 0.011 0.000 1.396 1466 I CB -1.507 36.493 38.000 0.000 0.000 1.385 1466 I HN 0.199 nan 8.210 nan 0.000 0.533 1467 S N 7.753 123.465 115.700 0.020 0.000 2.621 1467 S HA 0.706 5.182 4.470 0.009 0.000 0.302 1467 S C -2.539 172.054 174.600 -0.011 0.000 1.093 1467 S CA -1.654 56.564 58.200 0.030 0.000 1.017 1467 S CB 1.631 64.873 63.200 0.071 0.000 1.077 1467 S HN 0.346 nan 8.310 nan 0.000 0.517 1468 P HA 0.151 nan 4.420 nan 0.000 0.260 1468 P C 0.534 177.773 177.300 -0.102 0.000 1.185 1468 P CA 0.084 63.084 63.100 -0.166 0.000 0.763 1468 P CB 0.228 31.664 31.700 -0.440 0.000 0.776 1469 E N 2.353 122.504 120.200 -0.082 0.000 2.352 1469 E HA -0.249 4.106 4.350 0.009 0.000 0.203 1469 E C 0.330 176.916 176.600 -0.024 0.000 1.024 1469 E CA 0.975 57.350 56.400 -0.041 0.000 0.842 1469 E CB 0.157 29.832 29.700 -0.042 0.000 0.753 1469 E HN 0.426 nan 8.360 nan 0.000 0.508 1470 R N -0.831 119.633 120.500 -0.059 0.000 2.583 1470 R HA 0.385 4.730 4.340 0.009 0.000 0.268 1470 R C 0.536 176.925 176.300 0.150 0.000 1.101 1470 R CA 0.134 56.240 56.100 0.011 0.000 1.180 1470 R CB 0.688 30.946 30.300 -0.070 0.000 1.128 1470 R HN 0.175 nan 8.270 nan 0.000 0.568 1471 G N 0.474 109.413 108.800 0.231 0.000 2.916 1471 G HA2 -0.260 3.706 3.960 0.009 0.000 0.533 1471 G HA3 -0.260 3.706 3.960 0.009 0.000 0.533 1471 G C -0.593 174.417 174.900 0.182 0.000 1.516 1471 G CA -0.573 44.685 45.100 0.264 0.000 0.944 1471 G HN 0.517 nan 8.290 nan 0.000 0.555 1472 T N 1.506 116.166 114.554 0.176 0.000 2.897 1472 T HA 0.634 4.989 4.350 0.009 0.000 0.294 1472 T C 0.508 175.319 174.700 0.185 0.000 1.004 1472 T CA 0.718 62.908 62.100 0.151 0.000 1.106 1472 T CB 1.094 70.073 68.868 0.185 0.000 0.949 1472 T HN 0.975 nan 8.240 nan 0.000 0.520 1473 T N 2.218 116.843 114.554 0.119 0.000 2.916 1473 T HA 0.499 4.854 4.350 0.009 0.000 0.298 1473 T C -1.336 173.415 174.700 0.086 0.000 1.031 1473 T CA -0.608 61.583 62.100 0.152 0.000 0.993 1473 T CB 0.863 69.794 68.868 0.105 0.000 1.045 1473 T HN 0.462 nan 8.240 nan 0.000 0.454 1474 Y N 1.419 121.775 120.300 0.093 0.000 2.364 1474 Y HA 0.551 5.106 4.550 0.008 0.000 0.340 1474 Y C 0.346 176.305 175.900 0.099 0.000 0.975 1474 Y CA -0.834 57.321 58.100 0.092 0.000 1.089 1474 Y CB 1.843 40.402 38.460 0.165 0.000 1.192 1474 Y HN 0.436 nan 8.280 nan 0.000 0.454 1475 K N 4.293 124.808 120.400 0.192 0.000 2.244 1475 K HA 0.640 4.966 4.320 0.009 0.000 0.260 1475 K C -2.084 174.620 176.600 0.174 0.000 0.951 1475 K CA -0.684 55.694 56.287 0.152 0.000 0.826 1475 K CB 0.878 33.428 32.500 0.084 0.000 1.108 1475 K HN 0.601 nan 8.250 nan 0.000 0.433 1476 L N 3.845 125.175 121.223 0.178 0.000 2.381 1476 L HA 0.471 4.816 4.340 0.009 0.000 0.274 1476 L C -0.686 176.264 176.870 0.133 0.000 0.988 1476 L CA -0.796 54.157 54.840 0.189 0.000 0.824 1476 L CB 1.790 44.014 42.059 0.275 0.000 1.263 1476 L HN 0.295 nan 8.230 nan 0.000 0.410 1477 V N 2.204 122.185 119.914 0.112 0.000 2.919 1477 V HA 0.658 4.784 4.120 0.009 0.000 0.316 1477 V C -0.365 175.761 176.094 0.054 0.000 1.077 1477 V CA -0.882 61.463 62.300 0.076 0.000 0.977 1477 V CB 2.457 34.317 31.823 0.062 0.000 1.039 1477 V HN 0.756 nan 8.190 nan 0.000 0.441 1478 R N 1.957 122.478 120.500 0.034 0.000 2.599 1478 R HA 0.635 4.981 4.340 0.009 0.000 0.295 1478 R C -0.984 175.341 176.300 0.042 0.000 0.963 1478 R CA -0.634 55.476 56.100 0.016 0.000 0.883 1478 R CB 1.647 31.950 30.300 0.004 0.000 1.171 1478 R HN 0.770 nan 8.270 nan 0.000 0.450 1479 K N 3.320 123.769 120.400 0.083 0.000 2.306 1479 K HA 0.491 4.816 4.320 0.009 0.000 0.236 1479 K C -0.590 176.103 176.600 0.156 0.000 1.013 1479 K CA -1.050 55.317 56.287 0.133 0.000 0.857 1479 K CB 1.561 34.193 32.500 0.220 0.000 1.214 1479 K HN 0.370 nan 8.250 nan 0.000 0.449 1480 I N 3.195 123.836 120.570 0.118 0.000 2.620 1480 I HA 0.187 4.362 4.170 0.009 0.000 0.280 1480 I C -0.894 175.265 176.117 0.070 0.000 1.143 1480 I CA -0.547 60.807 61.300 0.090 0.000 1.163 1480 I CB 0.017 38.050 38.000 0.056 0.000 1.461 1480 I HN 0.376 nan 8.210 nan 0.000 0.530 1481 L N 4.497 125.764 121.223 0.073 0.000 2.289 1481 L HA 0.742 5.087 4.340 0.009 0.000 0.285 1481 L C 0.965 177.839 176.870 0.008 0.000 1.049 1481 L CA 0.084 54.927 54.840 0.006 0.000 0.804 1481 L CB 1.332 43.334 42.059 -0.095 0.000 1.195 1481 L HN 0.683 nan 8.230 nan 0.000 0.428 1482 A N 4.502 127.322 122.820 0.000 0.000 2.091 1482 A HA -0.252 4.074 4.320 0.009 0.000 0.270 1482 A C 0.808 178.407 177.584 0.025 0.000 1.368 1482 A CA 0.918 52.960 52.037 0.008 0.000 0.745 1482 A CB -2.004 16.997 19.000 0.001 0.000 1.173 1482 A HN 0.968 nan 8.150 nan 0.000 0.322 1483 N N -0.175 118.540 118.700 0.025 0.000 2.704 1483 N HA -0.210 4.536 4.740 0.009 0.000 0.259 1483 N C -0.017 175.515 175.510 0.036 0.000 0.957 1483 N CA 2.008 55.075 53.050 0.028 0.000 0.804 1483 N CB -0.580 37.920 38.487 0.021 0.000 0.917 1483 N HN 0.969 nan 8.380 nan 0.000 0.545 1484 Q N -0.646 119.185 119.800 0.051 0.000 2.352 1484 Q HA 0.147 4.493 4.340 0.009 0.000 0.270 1484 Q C -0.484 175.577 176.000 0.101 0.000 1.006 1484 Q CA -0.759 55.084 55.803 0.066 0.000 0.880 1484 Q CB 2.083 30.868 28.738 0.077 0.000 1.392 1484 Q HN 0.100 nan 8.270 nan 0.000 0.401 1485 E N 0.839 121.094 120.200 0.091 0.000 2.504 1485 E HA -0.040 4.315 4.350 0.009 0.000 0.266 1485 E C -0.699 176.054 176.600 0.255 0.000 1.239 1485 E CA 0.852 57.320 56.400 0.114 0.000 1.064 1485 E CB 0.345 30.066 29.700 0.035 0.000 0.996 1485 E HN 0.522 nan 8.360 nan 0.000 0.479 1486 Y N -1.377 118.955 120.300 0.054 0.000 2.146 1486 Y HA 0.124 4.679 4.550 0.009 0.000 0.312 1486 Y C -1.803 174.148 175.900 0.085 0.000 1.256 1486 Y CA -0.412 57.758 58.100 0.116 0.000 1.468 1486 Y CB 0.093 38.636 38.460 0.139 0.000 1.309 1486 Y HN 0.147 nan 8.280 nan 0.000 0.377 1487 V N 6.755 126.566 119.914 -0.173 0.000 2.334 1487 V HA 0.232 4.357 4.120 0.009 0.000 0.267 1487 V C 0.048 176.018 176.094 -0.206 0.000 1.040 1487 V CA -0.422 61.774 62.300 -0.172 0.000 0.866 1487 V CB 0.475 32.165 31.823 -0.222 0.000 1.019 1487 V HN 0.765 nan 8.190 nan 0.000 0.468 1488 H N 3.358 122.231 119.070 -0.329 0.000 2.722 1488 H HA 0.456 5.018 4.556 0.010 0.000 0.328 1488 H C -0.376 174.906 175.328 -0.077 0.000 1.067 1488 H CA 0.250 56.130 56.048 -0.281 0.000 1.447 1488 H CB 1.235 30.871 29.762 -0.210 0.000 1.469 1488 H HN 0.442 nan 8.280 nan 0.000 0.544 1489 V N 6.344 126.141 119.914 -0.195 0.000 2.398 1489 V HA 0.421 4.547 4.120 0.009 0.000 0.286 1489 V C -0.542 175.507 176.094 -0.076 0.000 1.026 1489 V CA -0.540 61.710 62.300 -0.084 0.000 0.868 1489 V CB 1.432 33.147 31.823 -0.179 0.000 0.982 1489 V HN 0.538 nan 8.190 nan 0.000 0.443 1490 V N 2.937 122.852 119.914 0.002 0.000 3.012 1490 V HA 0.807 4.932 4.120 0.009 0.000 0.307 1490 V C 0.384 176.444 176.094 -0.057 0.000 1.166 1490 V CA -0.464 61.827 62.300 -0.016 0.000 0.974 1490 V CB 2.200 34.048 31.823 0.043 0.000 1.040 1490 V HN 0.933 nan 8.190 nan 0.000 0.428 1491 G N 1.223 109.946 108.800 -0.130 0.000 2.461 1491 G HA2 0.760 4.725 3.960 0.009 0.000 0.329 1491 G HA3 0.760 4.725 3.960 0.009 0.000 0.329 1491 G C -1.561 173.272 174.900 -0.112 0.000 1.170 1491 G CA -0.604 44.369 45.100 -0.210 0.000 0.935 1491 G HN 0.731 nan 8.290 nan 0.000 0.492 1492 L N 0.157 121.320 121.223 -0.100 0.000 2.516 1492 L HA 0.682 5.027 4.340 0.009 0.000 0.267 1492 L C -0.468 176.379 176.870 -0.038 0.000 0.957 1492 L CA -0.538 54.273 54.840 -0.047 0.000 0.860 1492 L CB 1.645 43.697 42.059 -0.013 0.000 1.265 1492 L HN 0.704 nan 8.230 nan 0.000 0.403 1493 K N 2.608 122.989 120.400 -0.031 0.000 2.308 1493 K HA 0.957 5.282 4.320 0.009 0.000 0.268 1493 K C -1.073 175.518 176.600 -0.015 0.000 0.992 1493 K CA -0.781 55.494 56.287 -0.021 0.000 0.836 1493 K CB 2.100 34.583 32.500 -0.027 0.000 1.507 1493 K HN 0.715 nan 8.250 nan 0.000 0.394 1494 G N 0.000 108.793 108.800 -0.012 0.000 5.446 1494 G HA2 0.000 3.965 3.960 0.009 0.000 0.244 1494 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 1494 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 1494 G HN 0.000 nan 8.290 nan 0.000 0.925