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 1l5v_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.570 174.600 -0.050 0.000 1.055 1 S CA 0.000 58.167 58.200 -0.055 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 2 Q N 1.402 121.173 119.800 -0.048 0.000 2.320 2 Q HA 0.150 4.488 4.340 -0.003 0.000 0.311 2 Q C -2.170 173.856 176.000 0.043 0.000 1.083 2 Q CA -0.598 55.181 55.803 -0.040 0.000 1.001 2 Q CB -0.149 28.565 28.738 -0.039 0.000 1.074 2 Q HN 0.387 nan 8.270 nan 0.000 0.379 3 P HA 0.091 nan 4.420 nan 0.000 0.272 3 P C -0.868 176.728 177.300 0.493 0.000 1.223 3 P CA 0.097 63.334 63.100 0.229 0.000 0.784 3 P CB 0.568 32.369 31.700 0.167 0.000 0.923 4 I N 2.324 123.136 120.570 0.404 0.000 2.339 4 I HA 0.278 4.446 4.170 -0.003 0.000 0.290 4 I C 0.209 176.367 176.117 0.067 0.000 0.994 4 I CA -0.753 60.706 61.300 0.266 0.000 1.191 4 I CB 0.458 38.523 38.000 0.109 0.000 1.343 4 I HN 0.238 nan 8.210 nan 0.000 0.458 5 F N 7.207 126.897 119.950 -0.434 0.000 2.471 5 F HA 0.287 4.812 4.527 -0.003 0.000 0.353 5 F C 0.304 175.829 175.800 -0.457 0.000 1.113 5 F CA 0.045 57.446 58.000 -0.999 0.000 1.262 5 F CB 0.481 38.744 39.000 -1.229 0.000 1.146 5 F HN 0.480 nan 8.300 nan 0.000 0.578 6 N N 4.679 122.665 118.700 -1.190 0.000 2.461 6 N HA 0.073 4.811 4.740 -0.003 0.000 0.284 6 N C 0.036 174.989 175.510 -0.928 0.000 1.049 6 N CA -0.305 52.300 53.050 -0.742 0.000 0.889 6 N CB 1.340 39.589 38.487 -0.396 0.000 1.365 6 N HN 0.868 nan 8.380 nan 0.000 0.499 7 D N 3.231 123.306 120.400 -0.542 0.000 2.133 7 D HA -0.210 4.428 4.640 -0.003 0.000 0.195 7 D C 1.743 177.993 176.300 -0.082 0.000 0.997 7 D CA 1.627 55.498 54.000 -0.215 0.000 0.840 7 D CB 0.382 41.220 40.800 0.065 0.000 0.947 7 D HN 0.622 nan 8.370 nan 0.000 0.452 8 K N -0.139 120.199 120.400 -0.103 0.000 2.057 8 K HA -0.221 4.097 4.320 -0.003 0.000 0.207 8 K C 2.302 178.851 176.600 -0.084 0.000 1.049 8 K CA 1.230 57.484 56.287 -0.056 0.000 0.931 8 K CB -0.116 32.349 32.500 -0.058 0.000 0.714 8 K HN 0.231 nan 8.250 nan 0.000 0.440 9 Q N -0.465 119.244 119.800 -0.151 0.000 2.096 9 Q HA -0.198 4.140 4.340 -0.003 0.000 0.204 9 Q C 1.937 177.860 176.000 -0.130 0.000 0.982 9 Q CA 1.924 57.633 55.803 -0.155 0.000 0.850 9 Q CB -0.186 28.426 28.738 -0.211 0.000 0.901 9 Q HN 0.359 nan 8.270 nan 0.000 0.422 10 F N 1.235 121.009 119.950 -0.294 0.000 2.134 10 F HA -0.247 4.278 4.527 -0.003 0.000 0.299 10 F C 2.172 177.942 175.800 -0.050 0.000 1.097 10 F CA 1.409 59.309 58.000 -0.167 0.000 1.264 10 F CB -0.039 38.886 39.000 -0.125 0.000 1.001 10 F HN 0.057 nan 8.300 nan 0.000 0.479 11 Q N 0.440 120.210 119.800 -0.049 0.000 2.079 11 Q HA -0.189 4.149 4.340 -0.003 0.000 0.200 11 Q C 2.138 178.050 176.000 -0.147 0.000 0.974 11 Q CA 1.835 57.610 55.803 -0.045 0.000 0.840 11 Q CB -0.644 28.178 28.738 0.140 0.000 0.898 11 Q HN 0.594 nan 8.270 nan 0.000 0.430 12 E N 0.995 121.108 120.200 -0.145 0.000 2.051 12 E HA -0.134 4.214 4.350 -0.003 0.000 0.192 12 E C 2.009 178.442 176.600 -0.278 0.000 0.991 12 E CA 1.021 57.311 56.400 -0.183 0.000 0.799 12 E CB -0.111 29.504 29.700 -0.142 0.000 0.748 12 E HN 0.346 nan 8.360 nan 0.000 0.449 13 A N 1.147 123.792 122.820 -0.292 0.000 1.902 13 A HA -0.172 4.146 4.320 -0.003 0.000 0.217 13 A C 2.168 179.487 177.584 -0.442 0.000 1.181 13 A CA 1.046 52.887 52.037 -0.327 0.000 0.623 13 A CB -0.562 18.274 19.000 -0.272 0.000 0.818 13 A HN 0.224 nan 8.150 nan 0.000 0.443 14 L N 0.820 121.716 121.223 -0.545 0.000 2.042 14 L HA -0.164 4.174 4.340 -0.003 0.000 0.210 14 L C 2.797 179.320 176.870 -0.578 0.000 1.076 14 L CA 2.789 57.303 54.840 -0.544 0.000 0.749 14 L CB -0.635 41.068 42.059 -0.593 0.000 0.893 14 L HN 0.520 nan 8.230 nan 0.000 0.432 15 S N -0.858 114.486 115.700 -0.593 0.000 2.399 15 S HA -0.209 4.259 4.470 -0.003 0.000 0.231 15 S C 2.123 175.974 174.600 -1.248 0.000 1.022 15 S CA 0.904 58.409 58.200 -1.158 0.000 0.983 15 S CB -0.599 62.224 63.200 -0.627 0.000 0.803 15 S HN 0.539 nan 8.310 nan 0.000 0.480 16 R N 0.832 120.886 120.500 -0.742 0.000 2.105 16 R HA -0.064 4.274 4.340 -0.003 0.000 0.239 16 R C 2.708 178.614 176.300 -0.656 0.000 1.135 16 R CA 1.612 57.349 56.100 -0.606 0.000 0.967 16 R CB -0.344 29.707 30.300 -0.415 0.000 0.861 16 R HN 0.532 nan 8.270 nan 0.000 0.442 17 Q N 0.193 119.582 119.800 -0.685 0.000 1.993 17 Q HA -0.193 4.145 4.340 -0.003 0.000 0.202 17 Q C 2.114 177.523 176.000 -0.985 0.000 0.984 17 Q CA 1.717 57.063 55.803 -0.761 0.000 0.837 17 Q CB -0.718 27.660 28.738 -0.600 0.000 0.902 17 Q HN 0.654 nan 8.270 nan 0.000 0.423 18 W N 1.132 122.024 121.300 -0.679 0.000 2.465 18 W HA -0.041 4.617 4.660 -0.003 0.000 0.268 18 W C 1.362 177.658 176.519 -0.371 0.000 1.242 18 W CA 0.519 57.540 57.345 -0.541 0.000 1.248 18 W CB -0.603 28.633 29.460 -0.373 0.000 1.118 18 W HN 0.222 nan 8.180 nan 0.000 0.587 19 Q N 1.045 120.505 119.800 -0.566 0.000 2.050 19 Q HA -0.172 4.166 4.340 -0.003 0.000 0.202 19 Q C 2.474 178.312 176.000 -0.269 0.000 0.980 19 Q CA 1.832 57.408 55.803 -0.378 0.000 0.840 19 Q CB -0.438 27.959 28.738 -0.568 0.000 0.898 19 Q HN 0.218 nan 8.270 nan 0.000 0.424 20 R N -0.239 120.025 120.500 -0.393 0.000 2.159 20 R HA -0.177 4.161 4.340 -0.003 0.000 0.237 20 R C 1.315 177.543 176.300 -0.119 0.000 1.131 20 R CA 1.247 57.180 56.100 -0.279 0.000 0.982 20 R CB 0.045 30.138 30.300 -0.345 0.000 0.868 20 R HN 0.307 nan 8.270 nan 0.000 0.453 21 Y N -0.997 119.269 120.300 -0.058 0.000 2.546 21 Y HA 0.248 4.796 4.550 -0.003 0.000 0.287 21 Y C 1.516 177.412 175.900 -0.007 0.000 1.158 21 Y CA 0.380 58.461 58.100 -0.031 0.000 1.307 21 Y CB -0.087 38.357 38.460 -0.028 0.000 1.036 21 Y HN 0.274 nan 8.280 nan 0.000 0.532 22 G N 0.317 109.181 108.800 0.106 0.000 2.165 22 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.226 22 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.226 22 G C -0.320 174.647 174.900 0.113 0.000 1.035 22 G CA 0.010 45.160 45.100 0.084 0.000 0.744 22 G HN 0.265 nan 8.290 nan 0.000 0.501 23 L N -0.954 120.378 121.223 0.181 0.000 2.313 23 L HA 0.550 4.888 4.340 -0.003 0.000 0.268 23 L C 1.109 178.103 176.870 0.208 0.000 1.010 23 L CA -1.399 53.537 54.840 0.160 0.000 0.814 23 L CB 0.983 43.117 42.059 0.124 0.000 1.304 23 L HN -0.063 nan 8.230 nan 0.000 0.441 24 N N -0.129 118.598 118.700 0.046 0.000 2.424 24 N HA 0.012 4.750 4.740 -0.003 0.000 0.178 24 N C -0.079 175.285 175.510 -0.245 0.000 1.060 24 N CA 0.384 53.446 53.050 0.020 0.000 0.901 24 N CB 0.386 38.863 38.487 -0.018 0.000 0.979 24 N HN 0.703 nan 8.380 nan 0.000 0.451 25 S N -2.454 112.831 115.700 -0.692 0.000 2.611 25 S HA 0.576 5.044 4.470 -0.003 0.000 0.270 25 S C 0.467 174.161 174.600 -1.509 0.000 1.131 25 S CA -0.307 57.020 58.200 -1.456 0.000 0.826 25 S CB 0.961 63.782 63.200 -0.631 0.000 1.095 25 S HN -0.010 nan 8.310 nan 0.000 0.461 26 A N 1.263 123.003 122.820 -1.801 0.000 1.978 26 A HA 0.233 4.551 4.320 -0.003 0.000 0.220 26 A C 2.289 179.617 177.584 -0.427 0.000 1.170 26 A CA 2.209 53.553 52.037 -1.156 0.000 0.636 26 A CB -1.571 16.995 19.000 -0.723 0.000 0.810 26 A HN 1.832 nan 8.150 nan 0.000 0.448 27 A N -0.157 122.572 122.820 -0.151 0.000 2.125 27 A HA -0.148 4.170 4.320 -0.003 0.000 0.219 27 A C 1.716 179.324 177.584 0.040 0.000 1.156 27 A CA 1.463 53.559 52.037 0.098 0.000 0.671 27 A CB -0.476 18.570 19.000 0.076 0.000 0.794 27 A HN 0.688 nan 8.150 nan 0.000 0.459 28 E N -0.660 119.477 120.200 -0.106 0.000 2.482 28 E HA 0.054 4.402 4.350 -0.003 0.000 0.196 28 E C 0.257 176.840 176.600 -0.028 0.000 1.047 28 E CA -0.189 56.178 56.400 -0.054 0.000 0.869 28 E CB -0.117 29.535 29.700 -0.080 0.000 0.836 28 E HN 0.644 nan 8.360 nan 0.000 0.520 29 M N 1.628 121.171 119.600 -0.095 0.000 2.248 29 M HA 0.020 4.498 4.480 -0.003 0.000 0.337 29 M C 0.777 177.128 176.300 0.085 0.000 1.121 29 M CA 0.140 55.362 55.300 -0.130 0.000 1.155 29 M CB 0.680 32.916 32.600 -0.605 0.000 1.514 29 M HN -0.006 nan 8.290 nan 0.000 0.452 30 T N -0.206 114.388 114.554 0.067 0.000 2.816 30 T HA 0.242 4.590 4.350 -0.003 0.000 0.282 30 T C -2.124 172.738 174.700 0.269 0.000 0.993 30 T CA -1.590 60.594 62.100 0.140 0.000 0.994 30 T CB 0.500 69.407 68.868 0.065 0.000 1.025 30 T HN 0.383 nan 8.240 nan 0.000 0.529 31 P HA -0.128 nan 4.420 nan 0.000 0.216 31 P C 1.707 179.191 177.300 0.308 0.000 1.157 31 P CA 1.188 64.458 63.100 0.284 0.000 0.880 31 P CB 0.034 31.837 31.700 0.172 0.000 0.791 32 R N -0.220 120.408 120.500 0.214 0.000 2.092 32 R HA -0.132 4.206 4.340 -0.003 0.000 0.231 32 R C 2.286 178.724 176.300 0.231 0.000 1.119 32 R CA 1.433 57.673 56.100 0.235 0.000 0.970 32 R CB -0.487 29.892 30.300 0.131 0.000 0.864 32 R HN 0.195 nan 8.270 nan 0.000 0.440 33 Q N -0.875 118.975 119.800 0.083 0.000 2.124 33 Q HA -0.213 4.125 4.340 -0.003 0.000 0.202 33 Q C 1.710 177.770 176.000 0.100 0.000 0.977 33 Q CA 1.892 57.665 55.803 -0.050 0.000 0.850 33 Q CB -0.184 28.441 28.738 -0.189 0.000 0.901 33 Q HN 0.464 nan 8.270 nan 0.000 0.429 34 W N -0.474 120.910 121.300 0.139 0.000 2.338 34 W HA -0.224 4.434 4.660 -0.004 0.000 0.304 34 W C 2.033 178.633 176.519 0.134 0.000 1.212 34 W CA 0.920 58.342 57.345 0.128 0.000 1.264 34 W CB -0.364 29.166 29.460 0.117 0.000 1.142 34 W HN 0.350 nan 8.180 nan 0.000 0.512 35 W N 0.078 121.557 121.300 0.298 0.000 2.409 35 W HA -0.108 4.550 4.660 -0.003 0.000 0.299 35 W C 1.875 178.470 176.519 0.126 0.000 1.203 35 W CA 1.566 59.036 57.345 0.209 0.000 1.298 35 W CB -0.726 28.838 29.460 0.174 0.000 1.127 35 W HN -0.237 nan 8.180 nan 0.000 0.528 36 L N 0.621 121.800 121.223 -0.073 0.000 2.056 36 L HA -0.158 4.180 4.340 -0.003 0.000 0.207 36 L C 2.730 179.419 176.870 -0.301 0.000 1.078 36 L CA 1.505 56.134 54.840 -0.350 0.000 0.749 36 L CB -1.134 40.918 42.059 -0.012 0.000 0.901 36 L HN 0.122 nan 8.230 nan 0.000 0.433 37 A N -0.469 122.301 122.820 -0.083 0.000 1.873 37 A HA -0.175 4.143 4.320 -0.003 0.000 0.215 37 A C 2.336 179.786 177.584 -0.224 0.000 1.186 37 A CA 1.742 53.694 52.037 -0.142 0.000 0.616 37 A CB -0.902 18.018 19.000 -0.133 0.000 0.823 37 A HN 0.303 nan 8.150 nan 0.000 0.442 38 V N -1.164 118.683 119.914 -0.113 0.000 2.548 38 V HA -0.126 3.992 4.120 -0.003 0.000 0.249 38 V C 2.119 178.112 176.094 -0.168 0.000 1.055 38 V CA 2.832 65.116 62.300 -0.026 0.000 1.065 38 V CB -0.681 31.304 31.823 0.269 0.000 0.681 38 V HN 0.402 nan 8.190 nan 0.000 0.462 39 S N 0.116 115.540 115.700 -0.460 0.000 2.368 39 S HA -0.147 4.321 4.470 -0.003 0.000 0.225 39 S C 1.907 175.969 174.600 -0.897 0.000 1.030 39 S CA 1.782 59.529 58.200 -0.754 0.000 0.999 39 S CB -0.382 62.114 63.200 -1.173 0.000 0.844 39 S HN 0.759 nan 8.310 nan 0.000 0.459 40 E N 1.109 120.911 120.200 -0.663 0.000 2.106 40 E HA -0.072 4.276 4.350 -0.003 0.000 0.192 40 E C 2.373 178.739 176.600 -0.388 0.000 0.984 40 E CA 0.905 56.989 56.400 -0.527 0.000 0.806 40 E CB -0.223 29.253 29.700 -0.374 0.000 0.750 40 E HN 0.491 nan 8.360 nan 0.000 0.458 41 A N 1.430 124.055 122.820 -0.324 0.000 1.877 41 A HA -0.165 4.153 4.320 -0.003 0.000 0.216 41 A C 2.254 179.794 177.584 -0.074 0.000 1.186 41 A CA 1.043 52.935 52.037 -0.240 0.000 0.620 41 A CB -0.725 18.057 19.000 -0.363 0.000 0.822 41 A HN 0.131 nan 8.150 nan 0.000 0.443 42 L N -0.709 120.510 121.223 -0.006 0.000 2.042 42 L HA -0.236 4.102 4.340 -0.003 0.000 0.210 42 L C 3.112 180.021 176.870 0.066 0.000 1.076 42 L CA 1.193 56.145 54.840 0.187 0.000 0.749 42 L CB -0.595 41.648 42.059 0.307 0.000 0.893 42 L HN 0.448 nan 8.230 nan 0.000 0.432 43 A N -0.173 122.419 122.820 -0.379 0.000 1.902 43 A HA -0.228 4.090 4.320 -0.003 0.000 0.217 43 A C 2.164 179.740 177.584 -0.013 0.000 1.181 43 A CA 1.737 53.652 52.037 -0.203 0.000 0.623 43 A CB -0.452 18.273 19.000 -0.457 0.000 0.818 43 A HN 0.469 nan 8.150 nan 0.000 0.443 44 E N -0.513 119.644 120.200 -0.072 0.000 2.038 44 E HA -0.231 4.117 4.350 -0.003 0.000 0.195 44 E C 2.132 178.761 176.600 0.049 0.000 1.000 44 E CA 1.715 58.096 56.400 -0.032 0.000 0.803 44 E CB -0.347 29.301 29.700 -0.087 0.000 0.750 44 E HN 0.685 nan 8.360 nan 0.000 0.448 45 M N 0.343 120.009 119.600 0.110 0.000 2.080 45 M HA -0.197 4.281 4.480 -0.003 0.000 0.260 45 M C 2.478 178.945 176.300 0.279 0.000 1.068 45 M CA 1.099 56.528 55.300 0.214 0.000 1.109 45 M CB -0.364 32.433 32.600 0.329 0.000 1.342 45 M HN 0.122 nan 8.290 nan 0.000 0.405 46 L N 0.626 122.019 121.223 0.282 0.000 2.012 46 L HA -0.188 4.150 4.340 -0.003 0.000 0.210 46 L C 2.370 179.324 176.870 0.139 0.000 1.073 46 L CA 1.963 56.922 54.840 0.198 0.000 0.748 46 L CB -0.465 41.732 42.059 0.229 0.000 0.891 46 L HN 0.163 nan 8.230 nan 0.000 0.431 47 R N -0.827 119.745 120.500 0.121 0.000 2.236 47 R HA 0.088 4.426 4.340 -0.003 0.000 0.208 47 R C 1.914 178.254 176.300 0.067 0.000 1.036 47 R CA 0.707 56.857 56.100 0.083 0.000 1.001 47 R CB -0.332 30.003 30.300 0.059 0.000 0.896 47 R HN 0.481 nan 8.270 nan 0.000 0.464 48 A N 0.730 123.596 122.820 0.076 0.000 2.208 48 A HA 0.013 4.331 4.320 -0.003 0.000 0.209 48 A C 0.543 178.172 177.584 0.074 0.000 1.161 48 A CA 0.187 52.259 52.037 0.058 0.000 0.782 48 A CB 0.163 19.189 19.000 0.043 0.000 0.816 48 A HN 0.085 nan 8.150 nan 0.000 0.477 49 Q N 1.145 121.006 119.800 0.101 0.000 2.394 49 Q HA 0.281 4.619 4.340 -0.003 0.000 0.248 49 Q C -2.202 173.853 176.000 0.091 0.000 0.992 49 Q CA -1.477 54.387 55.803 0.103 0.000 0.888 49 Q CB -0.009 28.791 28.738 0.103 0.000 1.257 49 Q HN 0.332 nan 8.270 nan 0.000 0.462 50 P HA 0.101 nan 4.420 nan 0.000 0.274 50 P C -0.610 176.767 177.300 0.128 0.000 1.231 50 P CA -0.403 62.755 63.100 0.098 0.000 0.790 50 P CB 0.361 32.102 31.700 0.068 0.000 0.951 51 F N 1.932 121.882 119.950 -0.002 0.000 2.506 51 F HA 0.375 4.900 4.527 -0.004 0.000 0.371 51 F C 0.068 175.864 175.800 -0.007 0.000 1.078 51 F CA -0.623 57.373 58.000 -0.007 0.000 1.195 51 F CB 0.120 39.114 39.000 -0.010 0.000 1.099 51 F HN 0.403 nan 8.300 nan 0.000 0.548 52 A N 7.549 130.024 122.820 -0.576 0.000 2.289 52 A HA 0.449 4.767 4.320 -0.003 0.000 0.298 52 A C -0.456 176.519 177.584 -1.014 0.000 1.208 52 A CA -0.894 50.809 52.037 -0.557 0.000 0.845 52 A CB 0.194 19.003 19.000 -0.317 0.000 1.125 52 A HN 0.812 nan 8.150 nan 0.000 0.517 53 K N 3.285 123.292 120.400 -0.656 0.000 2.185 53 K HA 0.588 4.906 4.320 -0.003 0.000 0.271 53 K C -2.556 173.885 176.600 -0.265 0.000 1.013 53 K CA -1.335 54.643 56.287 -0.516 0.000 0.943 53 K CB 0.368 32.821 32.500 -0.078 0.000 0.998 53 K HN 0.399 nan 8.250 nan 0.000 0.468 54 P HA 0.024 nan 4.420 nan 0.000 0.275 54 P C -0.378 176.913 177.300 -0.015 0.000 1.266 54 P CA -0.710 62.359 63.100 -0.051 0.000 0.793 54 P CB 0.358 32.073 31.700 0.025 0.000 1.074 55 V N 0.070 119.982 119.914 -0.004 0.000 2.763 55 V HA 0.216 4.334 4.120 -0.003 0.000 0.306 55 V C 1.025 177.137 176.094 0.030 0.000 1.059 55 V CA 0.210 62.515 62.300 0.009 0.000 1.138 55 V CB -0.024 31.806 31.823 0.012 0.000 0.940 55 V HN 0.788 nan 8.190 nan 0.000 0.489 56 A N 3.590 126.428 122.820 0.030 0.000 2.257 56 A HA 0.471 4.789 4.320 -0.003 0.000 0.289 56 A C 0.683 178.290 177.584 0.039 0.000 1.095 56 A CA -0.225 51.837 52.037 0.042 0.000 0.836 56 A CB -0.334 18.688 19.000 0.036 0.000 1.111 56 A HN 1.096 nan 8.150 nan 0.000 0.497 57 N N -0.500 118.228 118.700 0.047 0.000 2.699 57 N HA -0.202 4.536 4.740 -0.003 0.000 0.256 57 N C -0.435 175.087 175.510 0.019 0.000 0.993 57 N CA 1.179 54.246 53.050 0.030 0.000 0.759 57 N CB -1.164 37.331 38.487 0.013 0.000 0.906 57 N HN 0.811 nan 8.380 nan 0.000 0.541 58 Q N -1.055 118.769 119.800 0.041 0.000 2.421 58 Q HA 0.466 4.804 4.340 -0.003 0.000 0.280 58 Q C -0.844 175.189 176.000 0.055 0.000 1.085 58 Q CA -1.200 54.625 55.803 0.036 0.000 0.807 58 Q CB 1.788 30.556 28.738 0.050 0.000 1.405 58 Q HN 0.103 nan 8.270 nan 0.000 0.419 59 R N 1.131 121.654 120.500 0.038 0.000 2.638 59 R HA -0.003 4.335 4.340 -0.003 0.000 0.268 59 R C -0.219 176.135 176.300 0.089 0.000 1.006 59 R CA 0.038 56.176 56.100 0.064 0.000 1.088 59 R CB -0.017 30.304 30.300 0.036 0.000 0.950 59 R HN 0.624 nan 8.270 nan 0.000 0.419 60 H N 1.380 120.464 119.070 0.023 0.000 2.722 60 H HA 0.157 4.711 4.556 -0.003 0.000 0.328 60 H C -0.663 174.610 175.328 -0.091 0.000 1.067 60 H CA -0.299 55.742 56.048 -0.012 0.000 1.447 60 H CB 0.753 30.534 29.762 0.032 0.000 1.469 60 H HN 0.188 nan 8.280 nan 0.000 0.544 61 V N 6.329 125.909 119.914 -0.557 0.000 2.406 61 V HA 0.106 4.224 4.120 -0.003 0.000 0.272 61 V C -0.014 175.831 176.094 -0.415 0.000 1.043 61 V CA -0.685 61.253 62.300 -0.603 0.000 0.915 61 V CB 0.842 32.062 31.823 -1.005 0.000 0.988 61 V HN 0.848 nan 8.190 nan 0.000 0.466 62 N N 4.243 122.867 118.700 -0.127 0.000 2.501 62 N HA 0.230 4.968 4.740 -0.003 0.000 0.245 62 N C -1.164 174.461 175.510 0.192 0.000 0.974 62 N CA -0.319 52.825 53.050 0.155 0.000 0.941 62 N CB 1.552 40.224 38.487 0.309 0.000 1.122 62 N HN 0.707 nan 8.380 nan 0.000 0.507 63 Y N 3.423 123.794 120.300 0.118 0.000 2.504 63 Y HA 0.386 4.934 4.550 -0.004 0.000 0.339 63 Y C -0.113 176.017 175.900 0.383 0.000 0.974 63 Y CA -0.642 57.572 58.100 0.190 0.000 1.232 63 Y CB 0.376 38.930 38.460 0.157 0.000 1.108 63 Y HN 0.372 nan 8.280 nan 0.000 0.509 64 I N 5.260 125.891 120.570 0.101 0.000 2.304 64 I HA 0.311 4.479 4.170 -0.003 0.000 0.291 64 I C -0.094 176.076 176.117 0.088 0.000 1.018 64 I CA -0.354 61.085 61.300 0.232 0.000 1.260 64 I CB 1.034 39.161 38.000 0.213 0.000 1.390 64 I HN 0.478 nan 8.210 nan 0.000 0.475 65 S N 6.172 121.990 115.700 0.196 0.000 2.546 65 S HA 0.427 4.895 4.470 -0.003 0.000 0.272 65 S C 0.561 175.237 174.600 0.127 0.000 1.140 65 S CA -0.738 57.459 58.200 -0.005 0.000 0.920 65 S CB 1.812 64.764 63.200 -0.413 0.000 1.083 65 S HN 0.658 nan 8.310 nan 0.000 0.476 66 M N 2.331 122.037 119.600 0.177 0.000 2.460 66 M HA 0.012 4.490 4.480 -0.003 0.000 0.263 66 M C 0.400 176.792 176.300 0.153 0.000 1.071 66 M CA 1.156 56.565 55.300 0.182 0.000 1.096 66 M CB -0.489 32.139 32.600 0.047 0.000 1.408 66 M HN 0.732 nan 8.290 nan 0.000 0.463 67 E N -0.622 119.561 120.200 -0.029 0.000 2.314 67 E HA 0.503 4.851 4.350 -0.003 0.000 0.272 67 E C -1.395 175.031 176.600 -0.290 0.000 0.884 67 E CA -0.699 55.678 56.400 -0.038 0.000 0.753 67 E CB 1.458 31.114 29.700 -0.072 0.000 1.213 67 E HN -0.022 nan 8.360 nan 0.000 0.432 68 F N 2.199 122.192 119.950 0.072 0.000 2.771 68 F HA 0.247 4.773 4.527 -0.003 0.000 0.365 68 F C -0.733 175.050 175.800 -0.028 0.000 1.169 68 F CA -0.852 57.170 58.000 0.036 0.000 1.093 68 F CB 1.608 40.628 39.000 0.033 0.000 1.363 68 F HN 0.428 nan 8.300 nan 0.000 0.496 69 L N 5.957 127.223 121.223 0.073 0.000 2.423 69 L HA 0.313 4.651 4.340 -0.003 0.000 0.249 69 L C 1.200 178.083 176.870 0.021 0.000 1.276 69 L CA 0.371 55.218 54.840 0.011 0.000 1.199 69 L CB -0.581 41.478 42.059 -0.001 0.000 1.407 69 L HN 0.652 nan 8.230 nan 0.000 0.410 70 I N -0.209 120.355 120.570 -0.010 0.000 2.500 70 I HA 0.341 4.509 4.170 -0.003 0.000 0.252 70 I C 1.253 177.319 176.117 -0.085 0.000 1.142 70 I CA 0.472 61.753 61.300 -0.032 0.000 1.451 70 I CB -0.857 37.101 38.000 -0.071 0.000 1.093 70 I HN 0.563 nan 8.210 nan 0.000 0.430 71 G N 1.570 110.302 108.800 -0.114 0.000 2.760 71 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.246 71 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.246 71 G C -0.406 174.437 174.900 -0.095 0.000 1.359 71 G CA -0.443 44.584 45.100 -0.121 0.000 0.861 71 G HN 0.533 nan 8.290 nan 0.000 0.541 72 R N -0.697 119.770 120.500 -0.054 0.000 2.623 72 R HA 0.305 4.643 4.340 -0.003 0.000 0.271 72 R C 1.005 177.335 176.300 0.051 0.000 1.043 72 R CA -0.384 55.749 56.100 0.055 0.000 1.083 72 R CB 0.236 30.577 30.300 0.069 0.000 0.974 72 R HN 0.317 nan 8.270 nan 0.000 0.436 73 L N 1.767 123.083 121.223 0.155 0.000 2.470 73 L HA 0.038 4.376 4.340 -0.003 0.000 0.219 73 L C 1.931 178.773 176.870 -0.047 0.000 1.071 73 L CA 1.394 56.201 54.840 -0.055 0.000 0.850 73 L CB -0.420 41.490 42.059 -0.247 0.000 1.040 73 L HN 0.703 nan 8.230 nan 0.000 0.475 74 T N -0.471 114.286 114.554 0.338 0.000 2.708 74 T HA -0.124 4.224 4.350 -0.003 0.000 0.266 74 T C 1.829 176.701 174.700 0.286 0.000 1.037 74 T CA 1.495 63.886 62.100 0.485 0.000 1.146 74 T CB -0.523 68.777 68.868 0.721 0.000 0.865 74 T HN 0.454 nan 8.240 nan 0.000 0.435 75 G N 1.395 110.352 108.800 0.260 0.000 2.446 75 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.217 75 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.217 75 G C 1.494 176.493 174.900 0.165 0.000 1.168 75 G CA 1.362 46.621 45.100 0.265 0.000 0.771 75 G HN 0.574 nan 8.290 nan 0.000 0.551 76 N N 0.804 119.522 118.700 0.030 0.000 2.149 76 N HA -0.128 4.610 4.740 -0.003 0.000 0.188 76 N C 2.015 177.470 175.510 -0.091 0.000 1.019 76 N CA 1.721 54.735 53.050 -0.061 0.000 0.857 76 N CB -0.209 38.198 38.487 -0.132 0.000 0.997 76 N HN 0.200 nan 8.380 nan 0.000 0.426 77 N N 0.112 118.719 118.700 -0.155 0.000 2.142 77 N HA -0.041 4.697 4.740 -0.003 0.000 0.186 77 N C 1.619 177.050 175.510 -0.131 0.000 1.023 77 N CA 0.751 53.649 53.050 -0.254 0.000 0.852 77 N CB -0.379 37.773 38.487 -0.558 0.000 0.998 77 N HN 0.285 nan 8.380 nan 0.000 0.424 78 L N 0.437 121.680 121.223 0.032 0.000 2.012 78 L HA -0.154 4.184 4.340 -0.003 0.000 0.210 78 L C 2.332 179.259 176.870 0.095 0.000 1.073 78 L CA 0.909 55.820 54.840 0.118 0.000 0.748 78 L CB -0.498 41.691 42.059 0.218 0.000 0.891 78 L HN 0.185 nan 8.230 nan 0.000 0.431 79 L N -0.182 121.111 121.223 0.118 0.000 2.017 79 L HA -0.232 4.106 4.340 -0.003 0.000 0.208 79 L C 2.261 179.116 176.870 -0.025 0.000 1.073 79 L CA 1.670 56.540 54.840 0.050 0.000 0.745 79 L CB -0.358 41.706 42.059 0.008 0.000 0.894 79 L HN 0.274 nan 8.230 nan 0.000 0.432 80 N N -0.128 118.536 118.700 -0.060 0.000 2.244 80 N HA -0.119 4.619 4.740 -0.003 0.000 0.183 80 N C 1.778 177.114 175.510 -0.289 0.000 1.016 80 N CA 1.392 54.375 53.050 -0.111 0.000 0.866 80 N CB -0.331 38.103 38.487 -0.089 0.000 0.980 80 N HN 0.369 nan 8.380 nan 0.000 0.430 81 L N -0.727 120.289 121.223 -0.345 0.000 2.376 81 L HA 0.093 4.431 4.340 -0.003 0.000 0.219 81 L C 1.059 177.711 176.870 -0.364 0.000 1.133 81 L CA 0.510 55.012 54.840 -0.564 0.000 0.816 81 L CB -0.434 40.912 42.059 -1.189 0.000 0.933 81 L HN 0.240 nan 8.230 nan 0.000 0.449 82 G N -1.442 107.262 108.800 -0.161 0.000 2.198 82 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.257 82 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.257 82 G C 0.010 175.062 174.900 0.253 0.000 1.042 82 G CA 0.050 45.156 45.100 0.010 0.000 0.791 82 G HN 0.367 nan 8.290 nan 0.000 0.502 83 W N -1.389 119.871 121.300 -0.068 0.000 3.008 83 W HA 0.390 5.048 4.660 -0.003 0.000 0.355 83 W C 1.602 177.974 176.519 -0.245 0.000 1.095 83 W CA -0.776 56.450 57.345 -0.198 0.000 1.738 83 W CB -0.830 28.543 29.460 -0.146 0.000 1.091 83 W HN 0.350 nan 8.180 nan 0.000 0.574 84 Y N 2.076 122.381 120.300 0.010 0.000 2.070 84 Y HA -0.359 4.189 4.550 -0.003 0.000 0.280 84 Y C 2.713 178.547 175.900 -0.110 0.000 1.148 84 Y CA 2.988 61.065 58.100 -0.038 0.000 1.125 84 Y CB -0.555 37.900 38.460 -0.007 0.000 0.975 84 Y HN 0.010 nan 8.280 nan 0.000 0.492 85 Q N 0.314 120.206 119.800 0.154 0.000 2.167 85 Q HA -0.174 4.164 4.340 -0.003 0.000 0.202 85 Q C 1.702 177.606 176.000 -0.161 0.000 0.970 85 Q CA 2.076 57.902 55.803 0.038 0.000 0.855 85 Q CB -0.309 28.462 28.738 0.054 0.000 0.911 85 Q HN 0.484 nan 8.270 nan 0.000 0.438 86 D N -0.740 119.465 120.400 -0.325 0.000 2.117 86 D HA -0.136 4.502 4.640 -0.003 0.000 0.197 86 D C 1.823 177.697 176.300 -0.709 0.000 0.987 86 D CA 1.477 55.125 54.000 -0.586 0.000 0.829 86 D CB -0.016 40.106 40.800 -1.129 0.000 0.961 86 D HN 0.194 nan 8.370 nan 0.000 0.460 87 V N 0.894 120.333 119.914 -0.791 0.000 2.427 87 V HA -0.228 3.890 4.120 -0.003 0.000 0.248 87 V C 2.610 178.482 176.094 -0.370 0.000 1.051 87 V CA 1.489 63.374 62.300 -0.691 0.000 1.048 87 V CB -0.475 30.999 31.823 -0.581 0.000 0.666 87 V HN 0.174 nan 8.190 nan 0.000 0.456 88 Q N -0.082 119.537 119.800 -0.302 0.000 2.061 88 Q HA -0.261 4.077 4.340 -0.003 0.000 0.204 88 Q C 1.951 177.898 176.000 -0.087 0.000 0.984 88 Q CA 2.226 57.930 55.803 -0.165 0.000 0.846 88 Q CB -0.117 28.554 28.738 -0.112 0.000 0.902 88 Q HN 0.628 nan 8.270 nan 0.000 0.421 89 D N -0.239 120.102 120.400 -0.099 0.000 2.092 89 D HA -0.125 4.513 4.640 -0.003 0.000 0.193 89 D C 2.055 178.361 176.300 0.010 0.000 0.994 89 D CA 1.616 55.591 54.000 -0.041 0.000 0.828 89 D CB -0.382 40.392 40.800 -0.044 0.000 0.963 89 D HN 0.175 nan 8.370 nan 0.000 0.450 90 S N 0.170 115.873 115.700 0.004 0.000 2.419 90 S HA -0.071 4.397 4.470 -0.003 0.000 0.235 90 S C 2.026 176.814 174.600 0.312 0.000 1.019 90 S CA 0.494 58.796 58.200 0.170 0.000 0.982 90 S CB -0.097 63.226 63.200 0.205 0.000 0.789 90 S HN 0.264 nan 8.310 nan 0.000 0.490 91 L N 1.488 122.842 121.223 0.218 0.000 2.509 91 L HA 0.064 4.402 4.340 -0.003 0.000 0.222 91 L C 2.411 179.402 176.870 0.202 0.000 1.123 91 L CA 0.386 55.412 54.840 0.310 0.000 0.856 91 L CB -0.287 41.853 42.059 0.134 0.000 0.985 91 L HN 0.369 nan 8.230 nan 0.000 0.456 92 K N 0.991 121.452 120.400 0.102 0.000 2.147 92 K HA -0.134 4.184 4.320 -0.003 0.000 0.205 92 K C 1.870 178.484 176.600 0.022 0.000 1.049 92 K CA 1.477 57.788 56.287 0.040 0.000 0.936 92 K CB -0.339 32.171 32.500 0.016 0.000 0.722 92 K HN 0.167 nan 8.250 nan 0.000 0.446 93 A N 0.587 123.408 122.820 0.002 0.000 2.125 93 A HA -0.085 4.233 4.320 -0.003 0.000 0.219 93 A C 0.969 178.421 177.584 -0.220 0.000 1.156 93 A CA 0.738 52.694 52.037 -0.135 0.000 0.671 93 A CB -0.572 18.287 19.000 -0.234 0.000 0.794 93 A HN 0.482 nan 8.150 nan 0.000 0.459 94 Y N -0.251 120.078 120.300 0.049 0.000 2.458 94 Y HA 0.134 4.682 4.550 -0.003 0.000 0.256 94 Y C 0.027 175.891 175.900 -0.059 0.000 1.159 94 Y CA -0.347 57.784 58.100 0.051 0.000 1.261 94 Y CB 0.300 38.849 38.460 0.148 0.000 1.119 94 Y HN 0.323 nan 8.280 nan 0.000 0.524 95 D N 0.698 121.119 120.400 0.035 0.000 2.699 95 D HA -0.177 4.461 4.640 -0.003 0.000 0.239 95 D C -0.664 175.571 176.300 -0.108 0.000 1.136 95 D CA 0.686 54.670 54.000 -0.027 0.000 0.668 95 D CB -0.985 39.803 40.800 -0.019 0.000 1.060 95 D HN 0.162 nan 8.370 nan 0.000 0.429 96 I N 0.893 121.372 120.570 -0.152 0.000 2.474 96 I HA 0.217 4.385 4.170 -0.003 0.000 0.294 96 I C 0.626 176.656 176.117 -0.146 0.000 1.005 96 I CA -0.713 60.413 61.300 -0.289 0.000 1.113 96 I CB 1.732 39.388 38.000 -0.574 0.000 1.289 96 I HN -0.096 nan 8.210 nan 0.000 0.436 97 N N 4.377 123.009 118.700 -0.113 0.000 2.426 97 N HA 0.200 4.938 4.740 -0.003 0.000 0.257 97 N C 0.863 176.354 175.510 -0.032 0.000 1.002 97 N CA -0.489 52.532 53.050 -0.047 0.000 0.942 97 N CB 1.059 39.533 38.487 -0.022 0.000 1.112 97 N HN 0.518 nan 8.380 nan 0.000 0.499 98 L N 3.576 124.781 121.223 -0.031 0.000 2.017 98 L HA -0.089 4.249 4.340 -0.003 0.000 0.208 98 L C 1.780 178.671 176.870 0.034 0.000 1.073 98 L CA 2.002 56.818 54.840 -0.040 0.000 0.745 98 L CB -1.014 40.943 42.059 -0.171 0.000 0.894 98 L HN 0.672 nan 8.230 nan 0.000 0.432 99 T N -0.224 114.378 114.554 0.080 0.000 2.684 99 T HA -0.186 4.162 4.350 -0.003 0.000 0.267 99 T C 1.478 176.237 174.700 0.099 0.000 1.036 99 T CA 1.722 63.901 62.100 0.132 0.000 1.148 99 T CB -0.382 68.566 68.868 0.134 0.000 0.863 99 T HN 0.420 nan 8.240 nan 0.000 0.436 100 D N 0.823 121.264 120.400 0.068 0.000 2.117 100 D HA -0.033 4.605 4.640 -0.003 0.000 0.197 100 D C 2.021 178.370 176.300 0.082 0.000 0.987 100 D CA 0.438 54.476 54.000 0.063 0.000 0.829 100 D CB -0.545 40.277 40.800 0.037 0.000 0.961 100 D HN 0.153 nan 8.370 nan 0.000 0.460 101 L N 0.867 122.144 121.223 0.091 0.000 2.042 101 L HA -0.130 4.208 4.340 -0.003 0.000 0.210 101 L C 2.055 179.075 176.870 0.249 0.000 1.076 101 L CA 1.405 56.344 54.840 0.166 0.000 0.749 101 L CB -0.736 41.421 42.059 0.164 0.000 0.893 101 L HN 0.040 nan 8.230 nan 0.000 0.432 102 L N -0.710 120.647 121.223 0.223 0.000 2.265 102 L HA -0.151 4.187 4.340 -0.003 0.000 0.215 102 L C 2.312 179.229 176.870 0.079 0.000 1.117 102 L CA 0.762 55.746 54.840 0.241 0.000 0.782 102 L CB -0.655 41.540 42.059 0.227 0.000 0.914 102 L HN 0.304 nan 8.230 nan 0.000 0.441 103 E N -0.040 120.195 120.200 0.057 0.000 2.418 103 E HA -0.141 4.207 4.350 -0.003 0.000 0.197 103 E C 1.807 178.372 176.600 -0.057 0.000 1.026 103 E CA 0.432 56.841 56.400 0.014 0.000 0.862 103 E CB 0.060 29.793 29.700 0.055 0.000 0.799 103 E HN 0.456 nan 8.360 nan 0.000 0.518 104 E N 0.957 121.097 120.200 -0.101 0.000 2.268 104 E HA -0.104 4.244 4.350 -0.003 0.000 0.195 104 E C 0.712 177.006 176.600 -0.510 0.000 0.995 104 E CA 0.260 56.547 56.400 -0.189 0.000 0.836 104 E CB -0.096 29.576 29.700 -0.047 0.000 0.763 104 E HN 0.380 nan 8.360 nan 0.000 0.491 105 E N 1.033 120.738 120.200 -0.825 0.000 2.366 105 E HA 0.045 4.393 4.350 -0.003 0.000 0.266 105 E C -0.374 176.034 176.600 -0.319 0.000 1.015 105 E CA -0.149 55.679 56.400 -0.952 0.000 0.906 105 E CB 0.359 29.666 29.700 -0.654 0.000 0.979 105 E HN -0.010 nan 8.360 nan 0.000 0.443 106 I N 4.521 124.988 120.570 -0.172 0.000 2.416 106 I HA 0.018 4.186 4.170 -0.003 0.000 0.288 106 I C 0.023 176.155 176.117 0.024 0.000 1.051 106 I CA -0.560 60.732 61.300 -0.013 0.000 1.375 106 I CB 0.732 38.772 38.000 0.067 0.000 1.407 106 I HN 0.515 nan 8.210 nan 0.000 0.516 107 D N 8.730 129.105 120.400 -0.042 0.000 2.533 107 D HA 0.038 4.676 4.640 -0.003 0.000 0.236 107 D C -2.281 173.861 176.300 -0.264 0.000 1.137 107 D CA -0.550 53.382 54.000 -0.112 0.000 0.867 107 D CB 0.090 40.804 40.800 -0.143 0.000 1.170 107 D HN 0.220 nan 8.370 nan 0.000 0.474 108 P HA 0.059 nan 4.420 nan 0.000 0.260 108 P C -0.835 175.788 177.300 -1.127 0.000 1.185 108 P CA 0.109 62.437 63.100 -1.288 0.000 0.763 108 P CB 0.471 31.474 31.700 -1.161 0.000 0.776 109 A N 4.715 126.640 122.820 -1.490 0.000 2.922 109 A HA 0.247 4.565 4.320 -0.003 0.000 0.298 109 A C 0.545 177.886 177.584 -0.404 0.000 1.588 109 A CA 0.047 51.699 52.037 -0.642 0.000 1.288 109 A CB -1.012 17.825 19.000 -0.272 0.000 1.130 109 A HN 0.616 nan 8.150 nan 0.000 0.557 110 L N 1.246 122.295 121.223 -0.291 0.000 3.259 110 L HA 0.385 4.723 4.340 -0.003 0.000 0.292 110 L C 0.846 177.731 176.870 0.024 0.000 1.219 110 L CA 0.124 54.951 54.840 -0.021 0.000 1.035 110 L CB 0.704 42.724 42.059 -0.065 0.000 1.424 110 L HN 0.668 nan 8.230 nan 0.000 0.603 111 G N -0.964 107.785 108.800 -0.085 0.000 2.684 111 G HA2 0.278 4.236 3.960 -0.003 0.000 0.290 111 G HA3 0.278 4.236 3.960 -0.003 0.000 0.290 111 G C -0.655 174.203 174.900 -0.070 0.000 1.425 111 G CA -0.177 44.884 45.100 -0.065 0.000 0.822 111 G HN -0.154 nan 8.290 nan 0.000 0.482 112 N N -1.174 117.532 118.700 0.009 0.000 2.804 112 N HA 0.424 5.162 4.740 -0.003 0.000 0.233 112 N C 1.169 176.723 175.510 0.073 0.000 1.020 112 N CA 1.489 54.590 53.050 0.084 0.000 1.164 112 N CB 0.517 39.183 38.487 0.299 0.000 1.571 112 N HN 0.860 nan 8.380 nan 0.000 0.551 113 G N -1.530 107.325 108.800 0.091 0.000 3.265 113 G HA2 0.356 4.314 3.960 -0.003 0.000 0.171 113 G HA3 0.356 4.314 3.960 -0.003 0.000 0.171 113 G C 0.702 175.629 174.900 0.045 0.000 1.110 113 G CA 0.152 45.300 45.100 0.080 0.000 0.855 113 G HN 0.362 nan 8.290 nan 0.000 0.658 114 G N 0.114 108.937 108.800 0.039 0.000 2.440 114 G HA2 -0.095 3.863 3.960 -0.003 0.000 0.218 114 G HA3 -0.095 3.863 3.960 -0.003 0.000 0.218 114 G C 1.813 176.693 174.900 -0.033 0.000 1.154 114 G CA 1.644 46.747 45.100 0.004 0.000 0.767 114 G HN 0.580 nan 8.290 nan 0.000 0.552 115 L N 1.528 122.723 121.223 -0.047 0.000 1.994 115 L HA 0.153 4.491 4.340 -0.003 0.000 0.208 115 L C 2.797 179.581 176.870 -0.144 0.000 1.071 115 L CA 2.595 57.340 54.840 -0.158 0.000 0.745 115 L CB -1.121 40.806 42.059 -0.220 0.000 0.892 115 L HN 0.152 nan 8.230 nan 0.000 0.431 116 G N -0.952 107.802 108.800 -0.076 0.000 2.440 116 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.218 116 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.218 116 G C 1.760 176.624 174.900 -0.060 0.000 1.154 116 G CA 0.913 45.955 45.100 -0.097 0.000 0.767 116 G HN 0.374 nan 8.290 nan 0.000 0.552 117 R N 0.179 120.668 120.500 -0.019 0.000 2.092 117 R HA 0.164 4.502 4.340 -0.003 0.000 0.231 117 R C 2.414 178.700 176.300 -0.022 0.000 1.119 117 R CA 0.692 56.812 56.100 0.032 0.000 0.970 117 R CB -0.833 29.510 30.300 0.072 0.000 0.864 117 R HN 0.360 nan 8.270 nan 0.000 0.440 118 L N -0.283 120.859 121.223 -0.135 0.000 2.046 118 L HA -0.116 4.222 4.340 -0.003 0.000 0.208 118 L C 1.938 178.545 176.870 -0.439 0.000 1.077 118 L CA 1.916 56.545 54.840 -0.350 0.000 0.747 118 L CB -0.730 41.086 42.059 -0.404 0.000 0.896 118 L HN 0.375 nan 8.230 nan 0.000 0.432 119 A N -0.306 122.378 122.820 -0.226 0.000 1.902 119 A HA -0.171 4.146 4.320 -0.003 0.000 0.217 119 A C 2.434 180.082 177.584 0.107 0.000 1.181 119 A CA 1.719 53.694 52.037 -0.103 0.000 0.623 119 A CB -0.656 18.152 19.000 -0.319 0.000 0.818 119 A HN 0.544 nan 8.150 nan 0.000 0.443 120 A N -1.064 121.843 122.820 0.145 0.000 1.873 120 A HA -0.136 4.182 4.320 -0.003 0.000 0.215 120 A C 2.322 179.985 177.584 0.133 0.000 1.186 120 A CA 1.577 53.727 52.037 0.188 0.000 0.616 120 A CB -1.285 17.803 19.000 0.146 0.000 0.823 120 A HN 0.581 nan 8.150 nan 0.000 0.442 121 C N -1.398 117.982 119.300 0.133 0.000 2.413 121 C HA -0.105 4.353 4.460 -0.003 0.000 0.276 121 C C 2.458 177.620 174.990 0.286 0.000 1.236 121 C CA 0.864 60.005 59.018 0.206 0.000 1.735 121 C CB -1.602 26.276 27.740 0.230 0.000 2.031 121 C HN 0.612 nan 8.230 nan 0.000 0.474 122 F N 1.066 121.014 119.950 -0.003 0.000 2.134 122 F HA -0.066 4.459 4.527 -0.004 0.000 0.299 122 F C 2.259 177.994 175.800 -0.108 0.000 1.097 122 F CA 0.982 58.929 58.000 -0.088 0.000 1.264 122 F CB -1.435 37.393 39.000 -0.286 0.000 1.001 122 F HN 0.206 nan 8.300 nan 0.000 0.479 123 L N -0.380 120.905 121.223 0.103 0.000 2.012 123 L HA -0.260 4.078 4.340 -0.003 0.000 0.210 123 L C 2.420 179.296 176.870 0.009 0.000 1.073 123 L CA 1.977 56.830 54.840 0.022 0.000 0.748 123 L CB -0.791 41.281 42.059 0.022 0.000 0.891 123 L HN 0.185 nan 8.230 nan 0.000 0.431 124 D N -0.215 120.208 120.400 0.037 0.000 2.104 124 D HA -0.173 4.465 4.640 -0.003 0.000 0.194 124 D C 2.082 178.396 176.300 0.023 0.000 0.994 124 D CA 1.694 55.703 54.000 0.014 0.000 0.830 124 D CB 0.323 41.138 40.800 0.025 0.000 0.959 124 D HN 0.230 nan 8.370 nan 0.000 0.452 125 S N -0.019 115.718 115.700 0.060 0.000 2.368 125 S HA -0.108 4.360 4.470 -0.003 0.000 0.225 125 S C 2.151 176.757 174.600 0.011 0.000 1.030 125 S CA 0.901 59.127 58.200 0.043 0.000 0.999 125 S CB -0.143 63.097 63.200 0.067 0.000 0.844 125 S HN 0.347 nan 8.310 nan 0.000 0.459 126 M N 0.991 120.589 119.600 -0.004 0.000 2.117 126 M HA -0.121 4.357 4.480 -0.003 0.000 0.262 126 M C 2.493 178.772 176.300 -0.034 0.000 1.065 126 M CA 1.482 56.766 55.300 -0.027 0.000 1.114 126 M CB -0.590 31.965 32.600 -0.075 0.000 1.361 126 M HN 0.402 nan 8.290 nan 0.000 0.408 127 A N -0.377 122.420 122.820 -0.038 0.000 1.902 127 A HA -0.138 4.180 4.320 -0.003 0.000 0.217 127 A C 2.186 179.749 177.584 -0.035 0.000 1.181 127 A CA 2.153 54.163 52.037 -0.046 0.000 0.623 127 A CB -1.036 17.931 19.000 -0.056 0.000 0.818 127 A HN 0.429 nan 8.150 nan 0.000 0.443 128 T N -0.540 114.006 114.554 -0.013 0.000 2.904 128 T HA -0.041 4.307 4.350 -0.003 0.000 0.267 128 T C 1.662 176.363 174.700 0.002 0.000 1.059 128 T CA 1.701 63.806 62.100 0.008 0.000 1.137 128 T CB -0.259 68.625 68.868 0.027 0.000 0.879 128 T HN 0.635 nan 8.240 nan 0.000 0.467 129 V N -1.219 118.693 119.914 -0.003 0.000 3.596 129 V HA 0.595 4.713 4.120 -0.003 0.000 0.289 129 V C 1.332 177.422 176.094 -0.007 0.000 1.336 129 V CA 0.296 62.596 62.300 -0.001 0.000 1.137 129 V CB -0.725 31.102 31.823 0.007 0.000 0.966 129 V HN 0.480 nan 8.190 nan 0.000 0.428 130 G N 0.847 109.634 108.800 -0.021 0.000 2.176 130 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.252 130 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.252 130 G C 0.076 174.967 174.900 -0.015 0.000 1.024 130 G CA 0.526 45.608 45.100 -0.030 0.000 0.755 130 G HN 0.969 nan 8.290 nan 0.000 0.507 131 Q N 1.159 120.951 119.800 -0.014 0.000 2.344 131 Q HA 0.564 4.902 4.340 -0.003 0.000 0.253 131 Q C 0.676 176.635 176.000 -0.067 0.000 1.050 131 Q CA 0.316 56.108 55.803 -0.019 0.000 0.912 131 Q CB 0.605 29.341 28.738 -0.003 0.000 1.258 131 Q HN 0.452 nan 8.270 nan 0.000 0.443 132 S N 3.111 118.790 115.700 -0.035 0.000 2.563 132 S HA 0.489 4.957 4.470 -0.003 0.000 0.294 132 S C -0.817 173.576 174.600 -0.344 0.000 1.279 132 S CA 0.502 58.694 58.200 -0.013 0.000 1.069 132 S CB -0.357 62.961 63.200 0.196 0.000 0.828 132 S HN 0.798 nan 8.310 nan 0.000 0.497 133 A N 4.137 126.715 122.820 -0.403 0.000 2.608 133 A HA 0.672 4.990 4.320 -0.003 0.000 0.292 133 A C -0.790 176.614 177.584 -0.301 0.000 1.066 133 A CA -0.814 50.840 52.037 -0.639 0.000 0.676 133 A CB 1.557 20.330 19.000 -0.379 0.000 1.277 133 A HN 0.646 nan 8.150 nan 0.000 0.413 134 T N 1.020 115.425 114.554 -0.248 0.000 2.840 134 T HA 0.616 4.964 4.350 -0.003 0.000 0.287 134 T C 0.238 174.773 174.700 -0.274 0.000 0.991 134 T CA 0.122 62.078 62.100 -0.240 0.000 0.964 134 T CB 1.575 70.269 68.868 -0.290 0.000 0.954 134 T HN 1.325 nan 8.240 nan 0.000 0.438 135 G N 1.762 110.390 108.800 -0.287 0.000 2.390 135 G HA2 0.510 4.468 3.960 -0.003 0.000 0.270 135 G HA3 0.510 4.468 3.960 -0.003 0.000 0.270 135 G C -1.352 173.363 174.900 -0.309 0.000 1.211 135 G CA -0.169 44.831 45.100 -0.166 0.000 0.842 135 G HN 0.614 nan 8.290 nan 0.000 0.519 136 Y N 1.199 121.619 120.300 0.201 0.000 2.326 136 Y HA 0.589 5.137 4.550 -0.004 0.000 0.331 136 Y C 0.779 176.930 175.900 0.418 0.000 0.962 136 Y CA -0.143 58.081 58.100 0.207 0.000 1.167 136 Y CB 2.226 40.865 38.460 0.299 0.000 1.148 136 Y HN 0.811 nan 8.280 nan 0.000 0.463 137 G N 2.340 111.401 108.800 0.435 0.000 3.166 137 G HA2 0.746 4.704 3.960 -0.003 0.000 0.267 137 G HA3 0.746 4.704 3.960 -0.003 0.000 0.267 137 G C -1.801 173.277 174.900 0.296 0.000 1.256 137 G CA -0.935 44.469 45.100 0.507 0.000 0.859 137 G HN 0.392 nan 8.290 nan 0.000 0.590 138 L N 0.348 121.632 121.223 0.103 0.000 2.386 138 L HA 0.394 4.732 4.340 -0.003 0.000 0.271 138 L C -0.760 175.901 176.870 -0.348 0.000 0.993 138 L CA -0.989 53.780 54.840 -0.119 0.000 0.819 138 L CB 2.321 44.160 42.059 -0.367 0.000 1.294 138 L HN 0.408 nan 8.230 nan 0.000 0.414 139 N N 2.134 120.760 118.700 -0.123 0.000 3.050 139 N HA 0.106 4.844 4.740 -0.003 0.000 0.289 139 N C -0.976 174.519 175.510 -0.024 0.000 1.209 139 N CA -0.198 52.847 53.050 -0.009 0.000 1.154 139 N CB -0.318 38.172 38.487 0.005 0.000 1.444 139 N HN 0.208 nan 8.380 nan 0.000 0.529 140 Y N 0.605 121.044 120.300 0.231 0.000 2.632 140 Y HA -0.050 4.498 4.550 -0.004 0.000 0.329 140 Y C 1.905 177.952 175.900 0.245 0.000 1.174 140 Y CA 0.148 58.362 58.100 0.189 0.000 1.469 140 Y CB 0.543 39.091 38.460 0.146 0.000 1.242 140 Y HN 0.437 nan 8.280 nan 0.000 0.540 141 Q N 1.962 121.836 119.800 0.124 0.000 2.084 141 Q HA -0.186 4.152 4.340 -0.003 0.000 0.202 141 Q C 0.089 175.978 176.000 -0.186 0.000 0.978 141 Q CA 1.699 57.343 55.803 -0.266 0.000 0.844 141 Q CB 0.047 28.347 28.738 -0.731 0.000 0.898 141 Q HN 0.858 nan 8.270 nan 0.000 0.426 142 Y N -1.162 119.314 120.300 0.294 0.000 2.707 142 Y HA 0.345 4.893 4.550 -0.004 0.000 0.249 142 Y C 0.826 176.850 175.900 0.206 0.000 1.166 142 Y CA 0.033 58.276 58.100 0.239 0.000 1.184 142 Y CB 0.771 39.318 38.460 0.144 0.000 1.240 142 Y HN 0.265 nan 8.280 nan 0.000 0.547 143 G N 0.873 109.863 108.800 0.317 0.000 2.574 143 G HA2 -0.384 3.574 3.960 -0.003 0.000 0.282 143 G HA3 -0.384 3.574 3.960 -0.003 0.000 0.282 143 G C 0.744 175.627 174.900 -0.027 0.000 1.257 143 G CA 0.568 45.715 45.100 0.079 0.000 0.956 143 G HN 0.324 nan 8.290 nan 0.000 0.560 144 L N -0.114 121.069 121.223 -0.067 0.000 2.013 144 L HA 0.609 4.947 4.340 -0.003 0.000 0.204 144 L C 1.009 178.014 176.870 0.226 0.000 1.081 144 L CA 2.852 57.698 54.840 0.011 0.000 0.751 144 L CB -0.228 41.789 42.059 -0.071 0.000 0.901 144 L HN 1.378 nan 8.230 nan 0.000 0.440 145 F N -2.961 116.998 119.950 0.015 0.000 2.829 145 F HA 0.356 4.881 4.527 -0.004 0.000 0.319 145 F C -0.735 175.071 175.800 0.010 0.000 1.153 145 F CA -1.524 56.487 58.000 0.020 0.000 0.912 145 F CB 0.511 39.516 39.000 0.007 0.000 1.292 145 F HN -0.114 nan 8.300 nan 0.000 0.447 146 R N 2.399 123.005 120.500 0.177 0.000 2.207 146 R HA 0.370 4.708 4.340 -0.003 0.000 0.334 146 R C -0.896 175.509 176.300 0.174 0.000 1.013 146 R CA -0.428 55.706 56.100 0.058 0.000 0.858 146 R CB 1.238 31.574 30.300 0.059 0.000 1.094 146 R HN 0.893 nan 8.270 nan 0.000 0.457 147 Q N 3.116 122.937 119.800 0.035 0.000 2.256 147 Q HA 0.266 4.604 4.340 -0.003 0.000 0.254 147 Q C -1.136 174.764 176.000 -0.167 0.000 0.916 147 Q CA -0.382 55.468 55.803 0.079 0.000 0.932 147 Q CB 1.279 30.018 28.738 0.002 0.000 1.207 147 Q HN 0.841 nan 8.270 nan 0.000 0.426 148 S N 2.352 117.934 115.700 -0.198 0.000 2.704 148 S HA 0.720 5.188 4.470 -0.003 0.000 0.296 148 S C -1.071 173.325 174.600 -0.341 0.000 1.138 148 S CA -0.768 57.243 58.200 -0.316 0.000 0.875 148 S CB 0.969 64.103 63.200 -0.110 0.000 1.151 148 S HN 0.412 nan 8.310 nan 0.000 0.500 149 F N 0.472 120.402 119.950 -0.034 0.000 2.493 149 F HA 0.646 5.171 4.527 -0.004 0.000 0.329 149 F C -0.539 175.247 175.800 -0.024 0.000 1.126 149 F CA -1.405 56.563 58.000 -0.053 0.000 0.937 149 F CB 1.924 40.872 39.000 -0.088 0.000 1.146 149 F HN 0.391 nan 8.300 nan 0.000 0.442 150 V N 3.421 123.441 119.914 0.176 0.000 2.407 150 V HA 0.309 4.427 4.120 -0.003 0.000 0.291 150 V C -0.588 175.557 176.094 0.084 0.000 1.018 150 V CA -1.074 61.283 62.300 0.095 0.000 0.842 150 V CB 1.398 33.250 31.823 0.048 0.000 0.996 150 V HN 0.792 nan 8.190 nan 0.000 0.426 151 D N 4.179 124.633 120.400 0.089 0.000 2.837 151 D HA -0.199 4.439 4.640 -0.003 0.000 0.230 151 D C 1.311 177.722 176.300 0.185 0.000 1.152 151 D CA 1.607 55.675 54.000 0.112 0.000 0.736 151 D CB -1.157 39.695 40.800 0.086 0.000 1.084 151 D HN 1.430 nan 8.370 nan 0.000 0.429 152 G N -0.723 108.152 108.800 0.123 0.000 2.179 152 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.260 152 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.260 152 G C 0.256 175.208 174.900 0.086 0.000 0.977 152 G CA 0.812 45.959 45.100 0.078 0.000 0.641 152 G HN 0.486 nan 8.290 nan 0.000 0.533 153 K N 0.422 120.875 120.400 0.088 0.000 2.164 153 K HA 0.462 4.780 4.320 -0.003 0.000 0.258 153 K C 0.347 177.041 176.600 0.157 0.000 0.951 153 K CA -0.705 55.593 56.287 0.019 0.000 0.844 153 K CB 1.646 34.057 32.500 -0.149 0.000 1.099 153 K HN 0.307 nan 8.250 nan 0.000 0.435 154 Q N 2.115 122.011 119.800 0.160 0.000 2.300 154 Q HA 0.089 4.427 4.340 -0.003 0.000 0.280 154 Q C -1.067 174.969 176.000 0.059 0.000 1.033 154 Q CA -0.041 55.894 55.803 0.220 0.000 0.903 154 Q CB 0.639 29.469 28.738 0.153 0.000 1.195 154 Q HN 0.294 nan 8.270 nan 0.000 0.386 155 V N 4.336 124.273 119.914 0.038 0.000 2.555 155 V HA 0.311 4.429 4.120 -0.003 0.000 0.302 155 V C -0.943 175.119 176.094 -0.054 0.000 1.038 155 V CA -0.732 61.551 62.300 -0.029 0.000 0.887 155 V CB 2.036 33.856 31.823 -0.006 0.000 0.991 155 V HN 0.854 nan 8.190 nan 0.000 0.434 156 E N 2.763 122.872 120.200 -0.152 0.000 2.151 156 E HA 0.757 5.105 4.350 -0.003 0.000 0.275 156 E C -0.390 176.189 176.600 -0.035 0.000 0.936 156 E CA -0.167 56.115 56.400 -0.198 0.000 0.777 156 E CB 1.926 31.247 29.700 -0.632 0.000 1.108 156 E HN 0.890 nan 8.360 nan 0.000 0.401 157 A N 3.772 126.647 122.820 0.091 0.000 2.423 157 A HA 0.755 5.073 4.320 -0.003 0.000 0.304 157 A C -2.616 175.018 177.584 0.084 0.000 1.104 157 A CA -2.033 50.032 52.037 0.046 0.000 0.757 157 A CB 0.931 19.950 19.000 0.032 0.000 1.313 157 A HN 0.399 nan 8.150 nan 0.000 0.423 158 P HA 0.116 nan 4.420 nan 0.000 0.265 158 P C -0.931 176.444 177.300 0.125 0.000 1.193 158 P CA 0.349 63.436 63.100 -0.022 0.000 0.765 158 P CB 0.432 31.881 31.700 -0.418 0.000 0.823 159 D N 2.280 122.819 120.400 0.231 0.000 2.563 159 D HA 0.029 4.667 4.640 -0.003 0.000 0.222 159 D C -0.526 175.982 176.300 0.346 0.000 1.145 159 D CA -0.204 53.921 54.000 0.208 0.000 1.001 159 D CB -0.659 40.216 40.800 0.125 0.000 1.049 159 D HN 0.122 nan 8.370 nan 0.000 0.515 160 D N 2.802 123.380 120.400 0.295 0.000 2.346 160 D HA -0.053 4.585 4.640 -0.003 0.000 0.260 160 D C 0.561 176.881 176.300 0.034 0.000 1.252 160 D CA -0.334 53.805 54.000 0.232 0.000 0.895 160 D CB 0.282 41.182 40.800 0.168 0.000 1.097 160 D HN 0.498 nan 8.370 nan 0.000 0.489 161 W N 4.583 125.786 121.300 -0.163 0.000 2.771 161 W HA 0.187 4.846 4.660 -0.003 0.000 0.412 161 W C -0.443 176.003 176.519 -0.122 0.000 0.965 161 W CA -0.469 56.763 57.345 -0.188 0.000 2.045 161 W CB -1.108 28.307 29.460 -0.075 0.000 1.176 161 W HN 0.421 nan 8.180 nan 0.000 0.634 162 H N 0.814 119.782 119.070 -0.170 0.000 2.826 162 H HA -0.236 4.318 4.556 -0.003 0.000 0.306 162 H C 1.863 176.934 175.328 -0.429 0.000 1.235 162 H CA 1.308 57.243 56.048 -0.189 0.000 1.150 162 H CB -1.973 27.816 29.762 0.045 0.000 1.409 162 H HN 0.408 nan 8.280 nan 0.000 0.420 163 R N 1.080 120.994 120.500 -0.977 0.000 2.133 163 R HA -0.213 4.125 4.340 -0.003 0.000 0.245 163 R C 2.094 178.102 176.300 -0.486 0.000 1.137 163 R CA 2.654 57.987 56.100 -1.278 0.000 0.947 163 R CB -0.178 29.342 30.300 -1.301 0.000 0.865 163 R HN 0.433 nan 8.270 nan 0.000 0.437 164 S N -0.401 115.047 115.700 -0.420 0.000 2.515 164 S HA 0.021 4.489 4.470 -0.003 0.000 0.231 164 S C 1.039 175.605 174.600 -0.057 0.000 0.987 164 S CA 0.689 58.677 58.200 -0.353 0.000 0.936 164 S CB 0.041 63.044 63.200 -0.329 0.000 0.766 164 S HN 0.399 nan 8.310 nan 0.000 0.528 165 N N 0.301 119.024 118.700 0.038 0.000 2.214 165 N HA 0.165 4.903 4.740 -0.003 0.000 0.214 165 N C -0.792 174.866 175.510 0.246 0.000 1.132 165 N CA -0.195 52.932 53.050 0.129 0.000 0.856 165 N CB 0.011 38.540 38.487 0.070 0.000 1.020 165 N HN 0.492 nan 8.380 nan 0.000 0.509 166 Y N 4.333 124.786 120.300 0.256 0.000 2.677 166 Y HA 0.080 4.628 4.550 -0.003 0.000 0.335 166 Y C -1.090 174.984 175.900 0.289 0.000 1.162 166 Y CA -1.455 56.861 58.100 0.361 0.000 1.483 166 Y CB 0.923 39.633 38.460 0.417 0.000 1.209 166 Y HN 0.084 nan 8.280 nan 0.000 0.528 167 P HA -0.156 nan 4.420 nan 0.000 0.226 167 P C 0.466 177.473 177.300 -0.489 0.000 1.153 167 P CA 1.422 64.238 63.100 -0.474 0.000 0.777 167 P CB -0.005 31.226 31.700 -0.781 0.000 0.794 168 W N -1.591 119.530 121.300 -0.298 0.000 3.197 168 W HA 0.211 4.869 4.660 -0.003 0.000 0.274 168 W C 0.643 177.219 176.519 0.094 0.000 1.297 168 W CA -0.694 56.605 57.345 -0.076 0.000 1.662 168 W CB -0.372 29.070 29.460 -0.031 0.000 1.106 168 W HN -0.265 nan 8.180 nan 0.000 0.663 169 F N 2.402 122.598 119.950 0.409 0.000 2.506 169 F HA 0.173 4.698 4.527 -0.004 0.000 0.351 169 F C 1.123 177.054 175.800 0.219 0.000 1.136 169 F CA -0.544 57.693 58.000 0.395 0.000 1.298 169 F CB 0.382 39.719 39.000 0.562 0.000 1.145 169 F HN -0.135 nan 8.300 nan 0.000 0.593 170 R N 2.013 122.760 120.500 0.411 0.000 2.795 170 R HA 0.605 4.943 4.340 -0.003 0.000 0.275 170 R C -2.057 174.194 176.300 -0.082 0.000 0.981 170 R CA -0.918 55.255 56.100 0.122 0.000 0.917 170 R CB 1.780 32.118 30.300 0.064 0.000 1.202 170 R HN 0.695 nan 8.270 nan 0.000 0.469 171 H N 1.528 120.336 119.070 -0.437 0.000 3.013 171 H HA 0.305 4.859 4.556 -0.003 0.000 0.326 171 H C -1.641 173.426 175.328 -0.435 0.000 0.973 171 H CA -0.774 54.825 56.048 -0.749 0.000 1.369 171 H CB 1.280 30.107 29.762 -1.559 0.000 1.598 171 H HN 0.695 nan 8.280 nan 0.000 0.518 172 N N 3.588 121.890 118.700 -0.662 0.000 2.462 172 N HA 0.035 4.773 4.740 -0.003 0.000 0.242 172 N C 0.851 175.948 175.510 -0.689 0.000 1.010 172 N CA -0.143 52.570 53.050 -0.560 0.000 0.939 172 N CB 0.721 39.040 38.487 -0.280 0.000 1.127 172 N HN 0.918 nan 8.380 nan 0.000 0.509 173 E N 2.647 122.399 120.200 -0.747 0.000 2.267 173 E HA -0.180 4.168 4.350 -0.003 0.000 0.197 173 E C 1.154 177.656 176.600 -0.164 0.000 0.998 173 E CA 1.250 57.403 56.400 -0.413 0.000 0.830 173 E CB -0.089 29.483 29.700 -0.213 0.000 0.751 173 E HN 0.506 nan 8.360 nan 0.000 0.491 174 A N 1.202 123.926 122.820 -0.159 0.000 2.172 174 A HA 0.034 4.352 4.320 -0.003 0.000 0.216 174 A C 1.968 179.534 177.584 -0.030 0.000 1.154 174 A CA 0.557 52.548 52.037 -0.078 0.000 0.701 174 A CB -0.371 18.583 19.000 -0.076 0.000 0.789 174 A HN 0.309 nan 8.150 nan 0.000 0.465 175 L N -0.168 121.042 121.223 -0.022 0.000 2.611 175 L HA 0.100 4.438 4.340 -0.003 0.000 0.229 175 L C -0.434 176.550 176.870 0.189 0.000 1.137 175 L CA -0.517 54.373 54.840 0.084 0.000 0.901 175 L CB -0.365 41.752 42.059 0.096 0.000 1.098 175 L HN 0.102 nan 8.230 nan 0.000 0.456 176 D N 1.316 121.800 120.400 0.140 0.000 2.472 176 D HA 0.109 4.747 4.640 -0.003 0.000 0.237 176 D C -0.054 176.301 176.300 0.092 0.000 1.141 176 D CA 0.523 54.629 54.000 0.176 0.000 0.875 176 D CB 1.815 42.684 40.800 0.116 0.000 1.192 176 D HN -0.145 nan 8.370 nan 0.000 0.450 177 V N 1.955 121.891 119.914 0.038 0.000 2.680 177 V HA 0.320 4.438 4.120 -0.003 0.000 0.309 177 V C -1.007 175.044 176.094 -0.071 0.000 1.052 177 V CA -0.827 61.424 62.300 -0.082 0.000 0.908 177 V CB 2.021 33.709 31.823 -0.225 0.000 1.001 177 V HN 0.302 nan 8.190 nan 0.000 0.431 178 Q N 4.068 123.826 119.800 -0.070 0.000 2.279 178 Q HA 0.516 4.854 4.340 -0.003 0.000 0.256 178 Q C -0.908 175.059 176.000 -0.055 0.000 0.937 178 Q CA -0.231 55.533 55.803 -0.065 0.000 0.933 178 Q CB 1.814 30.506 28.738 -0.078 0.000 1.189 178 Q HN 0.689 nan 8.270 nan 0.000 0.417 179 V N 1.766 121.676 119.914 -0.007 0.000 2.444 179 V HA 0.515 4.633 4.120 -0.003 0.000 0.294 179 V C 0.402 176.568 176.094 0.120 0.000 1.022 179 V CA -0.862 61.484 62.300 0.076 0.000 0.850 179 V CB 1.807 33.718 31.823 0.147 0.000 0.992 179 V HN 0.844 nan 8.190 nan 0.000 0.426 180 G N 3.850 112.722 108.800 0.120 0.000 2.448 180 G HA2 0.727 4.685 3.960 -0.003 0.000 0.285 180 G HA3 0.727 4.685 3.960 -0.003 0.000 0.285 180 G C -1.013 174.075 174.900 0.313 0.000 1.176 180 G CA -0.293 44.788 45.100 -0.031 0.000 0.852 180 G HN 0.615 nan 8.290 nan 0.000 0.530 181 I N -0.087 120.648 120.570 0.274 0.000 2.827 181 I HA 0.581 4.749 4.170 -0.003 0.000 0.298 181 I C 0.743 177.072 176.117 0.353 0.000 1.235 181 I CA 0.537 62.076 61.300 0.398 0.000 1.021 181 I CB 2.045 40.269 38.000 0.374 0.000 1.259 181 I HN 1.145 nan 8.210 nan 0.000 0.427 182 G N 3.691 112.695 108.800 0.341 0.000 2.547 182 G HA2 0.185 4.143 3.960 -0.003 0.000 0.271 182 G HA3 0.185 4.143 3.960 -0.003 0.000 0.271 182 G C 0.616 175.738 174.900 0.370 0.000 1.209 182 G CA -0.056 45.205 45.100 0.269 0.000 0.959 182 G HN 2.090 nan 8.290 nan 0.000 0.563 183 G N -0.521 108.424 108.800 0.242 0.000 2.528 183 G HA2 0.279 4.237 3.960 -0.003 0.000 0.262 183 G HA3 0.279 4.237 3.960 -0.003 0.000 0.262 183 G C 0.104 175.155 174.900 0.251 0.000 1.200 183 G CA 2.003 47.240 45.100 0.228 0.000 0.951 183 G HN 2.486 nan 8.290 nan 0.000 0.566 184 K N -2.206 118.367 120.400 0.289 0.000 2.548 184 K HA 0.701 5.019 4.320 -0.003 0.000 0.282 184 K C -1.324 175.455 176.600 0.298 0.000 1.006 184 K CA -0.973 55.453 56.287 0.232 0.000 0.892 184 K CB 1.889 34.473 32.500 0.140 0.000 1.499 184 K HN 0.889 nan 8.250 nan 0.000 0.433 185 V N 2.118 122.143 119.914 0.185 0.000 2.370 185 V HA 0.220 4.338 4.120 -0.003 0.000 0.279 185 V C 0.487 176.650 176.094 0.116 0.000 1.029 185 V CA -0.556 61.846 62.300 0.171 0.000 0.870 185 V CB 0.958 32.837 31.823 0.092 0.000 0.984 185 V HN 0.995 nan 8.190 nan 0.000 0.451 186 T N 2.465 117.086 114.554 0.113 0.000 2.663 186 T HA 0.100 4.448 4.350 -0.003 0.000 0.325 186 T C 0.843 175.580 174.700 0.062 0.000 1.059 186 T CA -0.363 61.783 62.100 0.078 0.000 1.039 186 T CB 0.495 69.403 68.868 0.067 0.000 0.996 186 T HN 0.510 nan 8.240 nan 0.000 0.539 187 K N 0.878 121.308 120.400 0.049 0.000 2.505 187 K HA 0.059 4.377 4.320 -0.003 0.000 0.192 187 K C 0.487 177.110 176.600 0.038 0.000 1.025 187 K CA 0.297 56.608 56.287 0.040 0.000 1.086 187 K CB -0.260 32.259 32.500 0.033 0.000 0.840 187 K HN 0.803 nan 8.250 nan 0.000 0.514 188 D N -1.095 119.331 120.400 0.043 0.000 2.538 188 D HA 0.173 4.811 4.640 -0.003 0.000 0.231 188 D C 0.866 177.196 176.300 0.051 0.000 1.229 188 D CA -0.153 53.872 54.000 0.042 0.000 0.828 188 D CB 0.177 40.999 40.800 0.038 0.000 1.035 188 D HN 0.089 nan 8.370 nan 0.000 0.495 189 G N 0.824 109.660 108.800 0.059 0.000 2.136 189 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.242 189 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.242 189 G C 0.122 175.079 174.900 0.094 0.000 0.989 189 G CA -0.395 44.746 45.100 0.069 0.000 0.682 189 G HN 0.418 nan 8.290 nan 0.000 0.522 190 R N -0.993 119.568 120.500 0.101 0.000 2.297 190 R HA 0.391 4.729 4.340 -0.003 0.000 0.308 190 R C -0.238 176.186 176.300 0.208 0.000 1.029 190 R CA -0.802 55.375 56.100 0.128 0.000 0.929 190 R CB 0.679 31.031 30.300 0.087 0.000 1.046 190 R HN 0.213 nan 8.270 nan 0.000 0.461 191 W N 4.282 125.597 121.300 0.025 0.000 2.358 191 W HA 0.157 4.815 4.660 -0.003 0.000 0.307 191 W C -0.813 175.729 176.519 0.038 0.000 1.203 191 W CA -0.997 56.367 57.345 0.032 0.000 1.279 191 W CB 0.605 30.085 29.460 0.034 0.000 1.264 191 W HN 0.507 nan 8.180 nan 0.000 0.474 192 E N 8.003 128.259 120.200 0.094 0.000 2.101 192 E HA 0.241 4.589 4.350 -0.003 0.000 0.260 192 E C -2.220 174.279 176.600 -0.167 0.000 0.897 192 E CA -1.836 54.501 56.400 -0.105 0.000 0.744 192 E CB 1.231 30.938 29.700 0.012 0.000 1.140 192 E HN 0.123 nan 8.360 nan 0.000 0.419 193 P HA -0.040 nan 4.420 nan 0.000 0.274 193 P C 0.317 177.599 177.300 -0.030 0.000 1.237 193 P CA -0.087 62.845 63.100 -0.281 0.000 0.793 193 P CB 0.659 32.048 31.700 -0.517 0.000 0.977 194 E N 1.011 121.274 120.200 0.105 0.000 2.447 194 E HA 0.084 4.432 4.350 -0.003 0.000 0.195 194 E C -0.381 176.369 176.600 0.250 0.000 1.028 194 E CA 0.252 56.738 56.400 0.143 0.000 0.876 194 E CB 0.066 29.853 29.700 0.144 0.000 0.885 194 E HN 0.317 nan 8.360 nan 0.000 0.500 195 F N 0.916 120.894 119.950 0.046 0.000 2.608 195 F HA 0.395 4.920 4.527 -0.004 0.000 0.309 195 F C -1.478 174.365 175.800 0.072 0.000 1.103 195 F CA -0.623 57.429 58.000 0.086 0.000 0.954 195 F CB 2.499 41.559 39.000 0.100 0.000 1.267 195 F HN -0.290 nan 8.300 nan 0.000 0.444 196 T N 6.769 121.075 114.554 -0.414 0.000 2.809 196 T HA 0.599 4.947 4.350 -0.003 0.000 0.284 196 T C -0.468 173.907 174.700 -0.541 0.000 0.992 196 T CA -0.299 61.593 62.100 -0.346 0.000 0.957 196 T CB 0.899 69.609 68.868 -0.262 0.000 0.942 196 T HN 0.369 nan 8.240 nan 0.000 0.439 197 I N 2.523 122.944 120.570 -0.249 0.000 2.385 197 I HA 0.296 4.463 4.170 -0.003 0.000 0.294 197 I C 0.581 176.655 176.117 -0.071 0.000 0.988 197 I CA -0.429 60.776 61.300 -0.158 0.000 1.265 197 I CB 1.530 39.542 38.000 0.019 0.000 1.388 197 I HN 0.459 nan 8.210 nan 0.000 0.480 198 T N 5.089 119.590 114.554 -0.088 0.000 2.738 198 T HA 0.365 4.713 4.350 -0.003 0.000 0.298 198 T C 0.369 175.177 174.700 0.179 0.000 0.962 198 T CA -0.577 61.526 62.100 0.004 0.000 0.972 198 T CB 0.686 69.514 68.868 -0.068 0.000 0.928 198 T HN 0.786 nan 8.240 nan 0.000 0.474 199 G N 3.039 112.012 108.800 0.289 0.000 2.370 199 G HA2 0.438 4.396 3.960 -0.003 0.000 0.272 199 G HA3 0.438 4.396 3.960 -0.003 0.000 0.272 199 G C -0.515 174.656 174.900 0.452 0.000 1.208 199 G CA -0.496 44.892 45.100 0.481 0.000 0.856 199 G HN 0.621 nan 8.290 nan 0.000 0.500 200 Q N 0.286 120.422 119.800 0.560 0.000 2.312 200 Q HA 0.541 4.879 4.340 -0.003 0.000 0.263 200 Q C -0.180 176.128 176.000 0.513 0.000 0.995 200 Q CA -0.718 55.374 55.803 0.482 0.000 0.853 200 Q CB 2.413 31.344 28.738 0.322 0.000 1.300 200 Q HN 0.663 nan 8.270 nan 0.000 0.448 201 A N 2.683 125.655 122.820 0.254 0.000 2.302 201 A HA 0.354 4.671 4.320 -0.003 0.000 0.295 201 A C -1.473 175.976 177.584 -0.226 0.000 1.235 201 A CA -0.278 51.606 52.037 -0.255 0.000 0.876 201 A CB 0.021 18.747 19.000 -0.457 0.000 1.133 201 A HN 0.660 nan 8.150 nan 0.000 0.533 202 W N 2.125 123.308 121.300 -0.195 0.000 2.329 202 W HA 0.425 5.083 4.660 -0.004 0.000 0.312 202 W C -0.834 175.754 176.519 0.116 0.000 1.054 202 W CA -0.219 57.043 57.345 -0.139 0.000 1.245 202 W CB 1.481 30.624 29.460 -0.529 0.000 1.255 202 W HN 0.551 nan 8.180 nan 0.000 0.436 203 D N 3.553 124.142 120.400 0.314 0.000 2.193 203 D HA 0.462 5.100 4.640 -0.003 0.000 0.244 203 D C -0.518 175.990 176.300 0.346 0.000 1.064 203 D CA -0.341 53.794 54.000 0.224 0.000 0.845 203 D CB 1.733 42.565 40.800 0.053 0.000 1.148 203 D HN 0.155 nan 8.370 nan 0.000 0.464 204 L N 3.481 124.790 121.223 0.143 0.000 2.329 204 L HA 0.414 4.752 4.340 -0.003 0.000 0.279 204 L C -2.282 174.579 176.870 -0.015 0.000 1.014 204 L CA -1.935 52.931 54.840 0.043 0.000 0.814 204 L CB 2.289 44.297 42.059 -0.085 0.000 1.257 204 L HN 0.083 nan 8.230 nan 0.000 0.424 205 P HA 0.151 nan 4.420 nan 0.000 0.279 205 P C -0.890 176.326 177.300 -0.140 0.000 1.239 205 P CA -0.310 62.758 63.100 -0.055 0.000 0.789 205 P CB 1.493 33.184 31.700 -0.014 0.000 0.933 206 V N 4.309 124.147 119.914 -0.127 0.000 2.334 206 V HA 0.151 4.269 4.120 -0.003 0.000 0.281 206 V C 0.347 176.363 176.094 -0.129 0.000 1.016 206 V CA -0.721 61.495 62.300 -0.139 0.000 0.832 206 V CB 1.591 33.344 31.823 -0.117 0.000 0.999 206 V HN 0.258 nan 8.190 nan 0.000 0.439 207 V N 4.694 124.510 119.914 -0.164 0.000 2.432 207 V HA 0.514 4.632 4.120 -0.003 0.000 0.271 207 V C 1.122 177.145 176.094 -0.119 0.000 1.046 207 V CA -0.136 62.067 62.300 -0.163 0.000 0.945 207 V CB 1.207 32.893 31.823 -0.229 0.000 0.992 207 V HN 0.904 nan 8.190 nan 0.000 0.471 208 G N 2.713 111.451 108.800 -0.103 0.000 2.572 208 G HA2 0.258 4.216 3.960 -0.003 0.000 0.261 208 G HA3 0.258 4.216 3.960 -0.003 0.000 0.261 208 G C -0.814 174.056 174.900 -0.050 0.000 1.197 208 G CA -0.329 44.735 45.100 -0.060 0.000 0.870 208 G HN 0.683 nan 8.290 nan 0.000 0.548 209 Y N 2.006 122.233 120.300 -0.122 0.000 2.531 209 Y HA 0.242 4.791 4.550 -0.003 0.000 0.347 209 Y C 1.252 177.077 175.900 -0.125 0.000 1.024 209 Y CA -0.483 57.537 58.100 -0.132 0.000 1.306 209 Y CB 0.218 38.599 38.460 -0.131 0.000 1.149 209 Y HN 0.628 nan 8.280 nan 0.000 0.527 210 R N 2.729 122.921 120.500 -0.514 0.000 3.741 210 R HA -0.270 4.068 4.340 -0.003 0.000 0.292 210 R C -0.086 176.068 176.300 -0.244 0.000 1.176 210 R CA 1.135 56.960 56.100 -0.458 0.000 0.794 210 R CB -2.551 27.325 30.300 -0.707 0.000 1.213 210 R HN 0.869 nan 8.270 nan 0.000 0.494 211 N N -1.706 116.888 118.700 -0.176 0.000 2.159 211 N HA 0.136 4.874 4.740 -0.003 0.000 0.217 211 N C 1.071 176.504 175.510 -0.129 0.000 1.223 211 N CA 0.703 53.679 53.050 -0.123 0.000 0.896 211 N CB 0.563 38.997 38.487 -0.088 0.000 1.064 211 N HN 0.306 nan 8.380 nan 0.000 0.518 212 G N -0.111 108.602 108.800 -0.145 0.000 2.184 212 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.264 212 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.264 212 G C -0.229 174.579 174.900 -0.154 0.000 0.975 212 G CA 0.469 45.487 45.100 -0.137 0.000 0.642 212 G HN 0.313 nan 8.290 nan 0.000 0.536 213 V N 0.864 120.686 119.914 -0.154 0.000 2.686 213 V HA 0.644 4.762 4.120 -0.003 0.000 0.295 213 V C 0.659 176.687 176.094 -0.109 0.000 1.055 213 V CA 0.515 62.724 62.300 -0.152 0.000 1.050 213 V CB 1.454 33.200 31.823 -0.128 0.000 0.984 213 V HN 1.491 nan 8.190 nan 0.000 0.482 214 A N 5.543 128.323 122.820 -0.066 0.000 2.442 214 A HA 0.742 5.059 4.320 -0.003 0.000 0.284 214 A C -0.734 176.857 177.584 0.013 0.000 1.058 214 A CA -0.719 51.296 52.037 -0.037 0.000 0.738 214 A CB 1.394 20.385 19.000 -0.016 0.000 1.242 214 A HN 0.836 nan 8.150 nan 0.000 0.421 215 Q N 2.203 121.993 119.800 -0.017 0.000 2.456 215 Q HA 0.752 5.090 4.340 -0.003 0.000 0.283 215 Q C -3.019 172.946 176.000 -0.058 0.000 1.084 215 Q CA -2.315 53.486 55.803 -0.004 0.000 0.801 215 Q CB 2.850 31.594 28.738 0.010 0.000 1.434 215 Q HN 0.413 nan 8.270 nan 0.000 0.419 216 P HA 0.153 nan 4.420 nan 0.000 0.284 216 P C -1.066 176.103 177.300 -0.219 0.000 1.253 216 P CA -0.561 62.462 63.100 -0.127 0.000 0.800 216 P CB 0.866 32.483 31.700 -0.138 0.000 0.961 217 L N 3.656 124.740 121.223 -0.231 0.000 2.264 217 L HA 0.426 4.764 4.340 -0.003 0.000 0.287 217 L C 0.238 176.930 176.870 -0.297 0.000 1.039 217 L CA -0.588 54.032 54.840 -0.367 0.000 0.829 217 L CB 0.100 41.913 42.059 -0.410 0.000 1.211 217 L HN 0.277 nan 8.230 nan 0.000 0.427 218 R N 5.288 125.546 120.500 -0.404 0.000 2.196 218 R HA 0.534 4.872 4.340 -0.003 0.000 0.340 218 R C -1.406 174.657 176.300 -0.395 0.000 1.043 218 R CA -0.290 55.560 56.100 -0.416 0.000 0.883 218 R CB 0.354 30.310 30.300 -0.573 0.000 1.078 218 R HN 0.764 nan 8.270 nan 0.000 0.462 219 L N 5.857 126.935 121.223 -0.241 0.000 2.294 219 L HA 0.400 4.738 4.340 -0.003 0.000 0.283 219 L C -0.714 176.130 176.870 -0.044 0.000 1.015 219 L CA -0.767 54.034 54.840 -0.064 0.000 0.831 219 L CB 1.082 43.237 42.059 0.160 0.000 1.217 219 L HN 0.586 nan 8.230 nan 0.000 0.420 220 W N 2.955 124.357 121.300 0.170 0.000 2.238 220 W HA 0.371 5.029 4.660 -0.004 0.000 0.321 220 W C 0.354 177.048 176.519 0.293 0.000 1.293 220 W CA -0.138 57.322 57.345 0.192 0.000 1.204 220 W CB 0.679 30.114 29.460 -0.042 0.000 1.167 220 W HN 0.416 nan 8.180 nan 0.000 0.553 221 Q N 2.340 122.495 119.800 0.592 0.000 2.330 221 Q HA 0.618 4.956 4.340 -0.003 0.000 0.269 221 Q C -0.707 175.520 176.000 0.378 0.000 1.022 221 Q CA -0.691 55.312 55.803 0.334 0.000 0.796 221 Q CB 1.534 30.284 28.738 0.019 0.000 1.271 221 Q HN 0.600 nan 8.270 nan 0.000 0.450 222 A N 2.793 125.654 122.820 0.069 0.000 2.328 222 A HA 0.634 4.952 4.320 -0.003 0.000 0.284 222 A C -0.117 177.436 177.584 -0.052 0.000 1.160 222 A CA 0.034 51.948 52.037 -0.205 0.000 0.818 222 A CB 0.549 19.098 19.000 -0.751 0.000 1.087 222 A HN 0.786 nan 8.150 nan 0.000 0.504 223 T N -0.530 114.028 114.554 0.008 0.000 2.838 223 T HA 0.626 4.974 4.350 -0.003 0.000 0.292 223 T C -0.771 173.946 174.700 0.028 0.000 1.113 223 T CA -0.648 61.471 62.100 0.032 0.000 1.008 223 T CB 1.503 70.398 68.868 0.044 0.000 1.259 223 T HN 0.741 nan 8.240 nan 0.000 0.520 224 H N -0.826 118.233 119.070 -0.018 0.000 2.622 224 H HA 0.661 5.215 4.556 -0.003 0.000 0.363 224 H C 0.780 176.061 175.328 -0.079 0.000 1.151 224 H CA -0.164 55.846 56.048 -0.063 0.000 1.184 224 H CB 2.261 32.013 29.762 -0.015 0.000 1.643 224 H HN 0.853 nan 8.280 nan 0.000 0.531 225 A N 3.286 125.882 122.820 -0.373 0.000 2.014 225 A HA -0.055 4.263 4.320 -0.003 0.000 0.218 225 A C 0.356 177.694 177.584 -0.410 0.000 1.163 225 A CA 0.842 52.678 52.037 -0.335 0.000 0.652 225 A CB 0.055 18.819 19.000 -0.393 0.000 0.808 225 A HN 0.654 nan 8.150 nan 0.000 0.449 226 H N -0.818 118.535 119.070 0.471 0.000 2.348 226 H HA 0.207 4.761 4.556 -0.003 0.000 0.232 226 H C -2.141 173.326 175.328 0.232 0.000 1.419 226 H CA -1.404 54.828 56.048 0.305 0.000 1.416 226 H CB 0.798 30.691 29.762 0.218 0.000 1.510 226 H HN 0.358 nan 8.280 nan 0.000 0.507 227 P HA -0.066 nan 4.420 nan 0.000 0.231 227 P C 0.198 177.632 177.300 0.224 0.000 1.168 227 P CA 0.509 63.723 63.100 0.191 0.000 0.779 227 P CB 0.522 32.333 31.700 0.185 0.000 0.844 228 F N 1.035 121.035 119.950 0.084 0.000 2.520 228 F HA 0.506 5.031 4.527 -0.003 0.000 0.322 228 F C -0.876 174.970 175.800 0.078 0.000 1.103 228 F CA -1.210 56.833 58.000 0.072 0.000 0.926 228 F CB 1.630 40.653 39.000 0.038 0.000 1.154 228 F HN -0.362 nan 8.300 nan 0.000 0.453 229 D N 6.393 126.455 120.400 -0.563 0.000 2.441 229 D HA 0.112 4.750 4.640 -0.003 0.000 0.231 229 D C 0.585 176.512 176.300 -0.621 0.000 1.073 229 D CA -0.280 53.489 54.000 -0.386 0.000 0.850 229 D CB 1.598 42.273 40.800 -0.208 0.000 1.062 229 D HN 0.725 nan 8.370 nan 0.000 0.524 230 L N 4.028 125.066 121.223 -0.310 0.000 2.083 230 L HA -0.096 4.242 4.340 -0.003 0.000 0.209 230 L C 1.919 178.788 176.870 -0.000 0.000 1.083 230 L CA 1.882 56.670 54.840 -0.086 0.000 0.752 230 L CB -0.551 41.601 42.059 0.154 0.000 0.899 230 L HN 0.391 nan 8.230 nan 0.000 0.433 231 T N -0.513 114.023 114.554 -0.030 0.000 2.746 231 T HA -0.195 4.153 4.350 -0.003 0.000 0.267 231 T C 1.888 176.568 174.700 -0.033 0.000 1.039 231 T CA 1.750 63.844 62.100 -0.011 0.000 1.142 231 T CB -0.147 68.708 68.868 -0.022 0.000 0.866 231 T HN 0.348 nan 8.240 nan 0.000 0.444 232 K N 0.089 120.440 120.400 -0.081 0.000 2.097 232 K HA -0.001 4.317 4.320 -0.003 0.000 0.205 232 K C 1.977 178.526 176.600 -0.085 0.000 1.050 232 K CA 1.037 57.265 56.287 -0.098 0.000 0.938 232 K CB -0.298 32.132 32.500 -0.118 0.000 0.718 232 K HN 0.260 nan 8.250 nan 0.000 0.442 233 F N 2.452 122.287 119.950 -0.191 0.000 2.102 233 F HA -0.175 4.350 4.527 -0.003 0.000 0.298 233 F C 1.814 177.641 175.800 0.045 0.000 1.105 233 F CA 1.401 59.388 58.000 -0.022 0.000 1.239 233 F CB -0.106 38.950 39.000 0.092 0.000 0.991 233 F HN 0.010 nan 8.300 nan 0.000 0.474 234 N N 0.394 119.259 118.700 0.276 0.000 2.453 234 N HA -0.125 4.613 4.740 -0.003 0.000 0.183 234 N C 0.791 176.316 175.510 0.025 0.000 1.041 234 N CA 1.081 54.248 53.050 0.195 0.000 0.900 234 N CB -0.416 38.181 38.487 0.184 0.000 0.961 234 N HN 0.362 nan 8.380 nan 0.000 0.443 235 D N -1.114 119.249 120.400 -0.063 0.000 2.339 235 D HA 0.178 4.816 4.640 -0.003 0.000 0.217 235 D C 1.241 177.390 176.300 -0.252 0.000 1.050 235 D CA 0.396 54.323 54.000 -0.120 0.000 0.856 235 D CB 0.193 40.927 40.800 -0.110 0.000 0.922 235 D HN 0.284 nan 8.370 nan 0.000 0.518 236 G N 0.955 109.482 108.800 -0.456 0.000 2.176 236 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.232 236 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.232 236 G C -0.067 174.138 174.900 -1.159 0.000 0.986 236 G CA -0.335 44.227 45.100 -0.898 0.000 0.643 236 G HN 0.184 nan 8.290 nan 0.000 0.522 237 D N 0.675 120.648 120.400 -0.712 0.000 2.563 237 D HA 0.503 5.140 4.640 -0.003 0.000 0.222 237 D C 1.360 177.427 176.300 -0.387 0.000 1.145 237 D CA -0.612 53.096 54.000 -0.488 0.000 1.001 237 D CB -0.306 40.344 40.800 -0.250 0.000 1.049 237 D HN 0.127 nan 8.370 nan 0.000 0.515 238 F N 0.504 120.369 119.950 -0.142 0.000 2.134 238 F HA -0.107 4.418 4.527 -0.003 0.000 0.299 238 F C 2.061 177.912 175.800 0.085 0.000 1.097 238 F CA 0.295 58.259 58.000 -0.060 0.000 1.264 238 F CB -0.594 38.339 39.000 -0.111 0.000 1.001 238 F HN 0.274 nan 8.300 nan 0.000 0.479 239 L N 0.270 121.604 121.223 0.185 0.000 2.044 239 L HA -0.051 4.287 4.340 -0.003 0.000 0.205 239 L C 2.435 179.361 176.870 0.093 0.000 1.075 239 L CA 1.644 56.569 54.840 0.142 0.000 0.747 239 L CB -0.522 41.592 42.059 0.092 0.000 0.903 239 L HN -0.054 nan 8.230 nan 0.000 0.435 240 R N -0.538 119.980 120.500 0.031 0.000 2.148 240 R HA -0.023 4.315 4.340 -0.003 0.000 0.227 240 R C 2.139 178.434 176.300 -0.009 0.000 1.103 240 R CA 0.948 57.048 56.100 -0.001 0.000 0.983 240 R CB -0.546 29.730 30.300 -0.039 0.000 0.874 240 R HN 0.495 nan 8.270 nan 0.000 0.451 241 A N 1.417 124.236 122.820 -0.001 0.000 2.024 241 A HA -0.153 4.165 4.320 -0.003 0.000 0.220 241 A C 1.549 179.106 177.584 -0.044 0.000 1.164 241 A CA 1.292 53.271 52.037 -0.097 0.000 0.643 241 A CB -0.074 18.875 19.000 -0.085 0.000 0.806 241 A HN 0.163 nan 8.150 nan 0.000 0.451 242 E N -0.737 119.530 120.200 0.111 0.000 2.479 242 E HA -0.045 4.303 4.350 -0.003 0.000 0.193 242 E C 1.714 178.377 176.600 0.105 0.000 1.049 242 E CA 0.481 56.983 56.400 0.170 0.000 0.870 242 E CB 0.030 29.860 29.700 0.215 0.000 0.944 242 E HN 0.800 nan 8.360 nan 0.000 0.492 243 Q N 1.559 121.391 119.800 0.054 0.000 2.061 243 Q HA -0.238 4.100 4.340 -0.003 0.000 0.204 243 Q C 2.146 178.166 176.000 0.034 0.000 0.984 243 Q CA 1.982 57.804 55.803 0.032 0.000 0.846 243 Q CB -0.050 28.688 28.738 0.001 0.000 0.902 243 Q HN 0.276 nan 8.270 nan 0.000 0.421 244 Q N -1.199 118.616 119.800 0.025 0.000 2.084 244 Q HA -0.125 4.213 4.340 -0.003 0.000 0.202 244 Q C 1.908 177.965 176.000 0.095 0.000 0.978 244 Q CA 1.680 57.497 55.803 0.024 0.000 0.844 244 Q CB -0.580 28.079 28.738 -0.131 0.000 0.898 244 Q HN 0.555 nan 8.270 nan 0.000 0.426 245 G N 0.659 109.520 108.800 0.102 0.000 2.421 245 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.216 245 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.216 245 G C 1.362 176.352 174.900 0.149 0.000 1.171 245 G CA 0.880 46.074 45.100 0.158 0.000 0.775 245 G HN 0.372 nan 8.290 nan 0.000 0.543 246 I N 0.890 121.529 120.570 0.116 0.000 2.286 246 I HA -0.156 4.012 4.170 -0.003 0.000 0.248 246 I C 2.468 178.635 176.117 0.083 0.000 1.115 246 I CA 0.647 62.003 61.300 0.094 0.000 1.392 246 I CB -0.121 37.927 38.000 0.080 0.000 1.065 246 I HN 0.052 nan 8.210 nan 0.000 0.418 247 N N 0.820 119.566 118.700 0.075 0.000 2.166 247 N HA -0.143 4.595 4.740 -0.003 0.000 0.186 247 N C 1.798 177.396 175.510 0.146 0.000 1.019 247 N CA 1.589 54.644 53.050 0.008 0.000 0.856 247 N CB -0.256 38.109 38.487 -0.205 0.000 0.993 247 N HN 0.395 nan 8.380 nan 0.000 0.426 248 A N 1.094 124.114 122.820 0.333 0.000 1.855 248 A HA -0.041 4.277 4.320 -0.003 0.000 0.213 248 A C 1.986 179.606 177.584 0.060 0.000 1.195 248 A CA 1.066 53.268 52.037 0.276 0.000 0.610 248 A CB -0.526 18.633 19.000 0.264 0.000 0.837 248 A HN 0.282 nan 8.150 nan 0.000 0.444 249 E N 0.370 120.608 120.200 0.064 0.000 2.267 249 E HA -0.220 4.128 4.350 -0.003 0.000 0.197 249 E C 1.878 178.489 176.600 0.019 0.000 0.998 249 E CA 1.305 57.714 56.400 0.014 0.000 0.830 249 E CB -0.191 29.529 29.700 0.033 0.000 0.751 249 E HN 0.817 nan 8.360 nan 0.000 0.491 250 K N 1.136 121.560 120.400 0.040 0.000 2.280 250 K HA -0.130 4.188 4.320 -0.003 0.000 0.202 250 K C 1.871 178.502 176.600 0.052 0.000 1.047 250 K CA 0.977 57.299 56.287 0.058 0.000 0.942 250 K CB -0.211 32.322 32.500 0.054 0.000 0.739 250 K HN 0.159 nan 8.250 nan 0.000 0.457 251 L N 1.862 123.080 121.223 -0.010 0.000 2.187 251 L HA -0.089 4.249 4.340 -0.003 0.000 0.213 251 L C 1.348 178.253 176.870 0.059 0.000 1.100 251 L CA 1.642 56.472 54.840 -0.017 0.000 0.765 251 L CB -0.708 41.219 42.059 -0.221 0.000 0.904 251 L HN 0.466 nan 8.230 nan 0.000 0.437 252 T N -5.090 109.484 114.554 0.033 0.000 3.308 252 T HA 0.216 4.564 4.350 -0.003 0.000 0.270 252 T C 1.112 175.909 174.700 0.162 0.000 0.992 252 T CA -0.593 61.565 62.100 0.096 0.000 0.931 252 T CB 0.505 69.378 68.868 0.009 0.000 1.142 252 T HN 0.015 nan 8.240 nan 0.000 0.525 253 K N 0.785 121.314 120.400 0.216 0.000 2.121 253 K HA 0.304 4.622 4.320 -0.003 0.000 0.203 253 K C 0.489 177.292 176.600 0.338 0.000 1.041 253 K CA 0.561 56.997 56.287 0.247 0.000 0.969 253 K CB 0.383 33.036 32.500 0.256 0.000 0.799 253 K HN 0.295 nan 8.250 nan 0.000 0.456 254 V N 2.124 122.210 119.914 0.286 0.000 2.789 254 V HA 0.228 4.346 4.120 -0.003 0.000 0.311 254 V C -0.840 175.179 176.094 -0.125 0.000 1.073 254 V CA -1.175 61.206 62.300 0.137 0.000 0.921 254 V CB 2.139 34.042 31.823 0.134 0.000 1.009 254 V HN 0.093 nan 8.190 nan 0.000 0.426 255 L N 5.450 126.328 121.223 -0.575 0.000 2.349 255 L HA 0.524 4.862 4.340 -0.003 0.000 0.275 255 L C -0.412 176.243 176.870 -0.359 0.000 1.115 255 L CA 0.263 54.498 54.840 -1.008 0.000 0.820 255 L CB -0.233 41.071 42.059 -1.257 0.000 1.135 255 L HN 0.693 nan 8.230 nan 0.000 0.445 256 Y N 3.635 123.848 120.300 -0.144 0.000 2.981 256 Y HA -0.187 4.362 4.550 -0.003 0.000 0.204 256 Y C -1.929 173.976 175.900 0.009 0.000 1.265 256 Y CA -0.071 58.006 58.100 -0.038 0.000 0.941 256 Y CB -2.492 35.954 38.460 -0.023 0.000 1.254 256 Y HN 0.534 nan 8.280 nan 0.000 0.469 257 P HA -0.014 nan 4.420 nan 0.000 0.269 257 P C 0.544 177.908 177.300 0.106 0.000 1.215 257 P CA -0.208 62.959 63.100 0.112 0.000 0.780 257 P CB 0.770 32.531 31.700 0.101 0.000 0.898 258 N N 2.496 121.240 118.700 0.074 0.000 2.315 258 N HA -0.123 4.615 4.740 -0.003 0.000 0.270 258 N C 0.309 175.856 175.510 0.061 0.000 1.329 258 N CA 0.496 53.577 53.050 0.051 0.000 0.860 258 N CB -0.100 38.406 38.487 0.033 0.000 1.095 258 N HN 0.373 nan 8.380 nan 0.000 0.487 259 D N 1.722 122.155 120.400 0.054 0.000 2.463 259 D HA 0.036 4.674 4.640 -0.003 0.000 0.224 259 D C 0.462 176.792 176.300 0.051 0.000 1.174 259 D CA -0.124 53.911 54.000 0.060 0.000 0.829 259 D CB -0.932 39.910 40.800 0.070 0.000 0.993 259 D HN 0.504 nan 8.370 nan 0.000 0.497 260 N N 0.032 118.762 118.700 0.050 0.000 2.364 260 N HA -0.041 4.697 4.740 -0.003 0.000 0.183 260 N C 0.642 176.206 175.510 0.089 0.000 1.022 260 N CA 0.700 53.790 53.050 0.066 0.000 0.883 260 N CB 0.203 38.742 38.487 0.088 0.000 0.965 260 N HN 0.256 nan 8.380 nan 0.000 0.438 261 A N -0.179 122.699 122.820 0.096 0.000 2.322 261 A HA 0.334 4.652 4.320 -0.003 0.000 0.327 261 A C 0.437 178.119 177.584 0.163 0.000 1.134 261 A CA -0.649 51.467 52.037 0.132 0.000 0.831 261 A CB 0.582 19.654 19.000 0.120 0.000 1.288 261 A HN 0.153 nan 8.150 nan 0.000 0.472 262 F N 0.351 120.339 119.950 0.064 0.000 2.126 262 F HA -0.142 4.383 4.527 -0.004 0.000 0.299 262 F C 1.908 177.759 175.800 0.085 0.000 1.096 262 F CA 2.587 60.633 58.000 0.076 0.000 1.255 262 F CB 0.077 39.114 39.000 0.061 0.000 0.997 262 F HN 0.732 nan 8.300 nan 0.000 0.479 263 E N 0.161 120.407 120.200 0.077 0.000 2.150 263 E HA -0.044 4.304 4.350 -0.003 0.000 0.193 263 E C 2.425 178.991 176.600 -0.058 0.000 0.985 263 E CA 1.246 57.635 56.400 -0.019 0.000 0.814 263 E CB -0.952 28.799 29.700 0.085 0.000 0.752 263 E HN 0.449 nan 8.360 nan 0.000 0.466 264 G N 0.555 109.356 108.800 0.001 0.000 2.402 264 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.216 264 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.216 264 G C 1.461 176.381 174.900 0.035 0.000 1.162 264 G CA 0.728 45.847 45.100 0.031 0.000 0.777 264 G HN 0.204 nan 8.290 nan 0.000 0.539 265 K N 0.325 120.728 120.400 0.005 0.000 2.057 265 K HA -0.071 4.247 4.320 -0.003 0.000 0.207 265 K C 2.421 179.064 176.600 0.072 0.000 1.049 265 K CA 1.315 57.670 56.287 0.114 0.000 0.931 265 K CB -0.132 32.419 32.500 0.086 0.000 0.714 265 K HN 0.320 nan 8.250 nan 0.000 0.440 266 K N 1.216 121.480 120.400 -0.227 0.000 2.155 266 K HA -0.128 4.190 4.320 -0.003 0.000 0.203 266 K C 2.166 178.687 176.600 -0.132 0.000 1.052 266 K CA 0.617 56.742 56.287 -0.269 0.000 0.948 266 K CB -0.035 32.173 32.500 -0.487 0.000 0.728 266 K HN -0.028 nan 8.250 nan 0.000 0.448 267 L N 1.724 122.911 121.223 -0.061 0.000 2.017 267 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 267 L C 2.386 179.287 176.870 0.051 0.000 1.073 267 L CA 1.760 56.603 54.840 0.005 0.000 0.745 267 L CB -0.741 41.338 42.059 0.033 0.000 0.894 267 L HN 0.136 nan 8.230 nan 0.000 0.432 268 R N -0.677 119.883 120.500 0.100 0.000 2.096 268 R HA -0.213 4.125 4.340 -0.003 0.000 0.240 268 R C 2.212 178.565 176.300 0.089 0.000 1.139 268 R CA 2.172 58.380 56.100 0.179 0.000 0.952 268 R CB -0.929 29.567 30.300 0.326 0.000 0.854 268 R HN 0.444 nan 8.270 nan 0.000 0.436 269 L N 0.089 121.212 121.223 -0.167 0.000 2.046 269 L HA -0.062 4.276 4.340 -0.003 0.000 0.208 269 L C 2.033 178.804 176.870 -0.165 0.000 1.077 269 L CA 1.841 56.393 54.840 -0.480 0.000 0.747 269 L CB -0.385 41.010 42.059 -1.107 0.000 0.896 269 L HN 0.336 nan 8.230 nan 0.000 0.432 270 M N -1.383 118.172 119.600 -0.076 0.000 2.159 270 M HA -0.260 4.218 4.480 -0.003 0.000 0.263 270 M C 2.248 178.648 176.300 0.166 0.000 1.063 270 M CA 1.753 57.094 55.300 0.068 0.000 1.110 270 M CB -0.435 32.197 32.600 0.053 0.000 1.374 270 M HN 0.377 nan 8.290 nan 0.000 0.411 271 Q N 0.073 119.962 119.800 0.148 0.000 2.084 271 Q HA -0.226 4.112 4.340 -0.003 0.000 0.202 271 Q C 2.033 178.182 176.000 0.248 0.000 0.978 271 Q CA 1.506 57.447 55.803 0.231 0.000 0.844 271 Q CB -0.199 28.679 28.738 0.233 0.000 0.898 271 Q HN 0.613 nan 8.270 nan 0.000 0.426 272 Q N -0.632 119.276 119.800 0.178 0.000 2.119 272 Q HA -0.197 4.141 4.340 -0.003 0.000 0.201 272 Q C 1.779 177.843 176.000 0.106 0.000 0.972 272 Q CA 1.388 57.286 55.803 0.159 0.000 0.847 272 Q CB -0.179 28.657 28.738 0.163 0.000 0.903 272 Q HN 0.406 nan 8.270 nan 0.000 0.433 273 Y N 0.320 120.624 120.300 0.007 0.000 2.220 273 Y HA -0.223 4.325 4.550 -0.004 0.000 0.291 273 Y C 1.872 177.783 175.900 0.019 0.000 1.129 273 Y CA 1.062 59.135 58.100 -0.044 0.000 1.161 273 Y CB -0.339 38.057 38.460 -0.107 0.000 0.997 273 Y HN 0.120 nan 8.280 nan 0.000 0.522 274 F N 1.319 121.155 119.950 -0.190 0.000 2.075 274 F HA -0.218 4.307 4.527 -0.004 0.000 0.297 274 F C 2.582 178.197 175.800 -0.307 0.000 1.113 274 F CA 2.412 60.265 58.000 -0.244 0.000 1.218 274 F CB -1.037 37.941 39.000 -0.035 0.000 0.984 274 F HN 0.206 nan 8.300 nan 0.000 0.472 275 Q N -0.210 119.405 119.800 -0.308 0.000 2.045 275 Q HA -0.269 4.069 4.340 -0.003 0.000 0.206 275 Q C 2.377 178.137 176.000 -0.400 0.000 0.991 275 Q CA 2.798 58.422 55.803 -0.299 0.000 0.851 275 Q CB -0.646 28.136 28.738 0.073 0.000 0.911 275 Q HN 0.588 nan 8.270 nan 0.000 0.418 276 C N -0.158 118.967 119.300 -0.291 0.000 2.446 276 C HA -0.011 4.447 4.460 -0.003 0.000 0.277 276 C C 2.844 177.593 174.990 -0.402 0.000 1.275 276 C CA 0.600 59.465 59.018 -0.255 0.000 1.727 276 C CB -1.309 26.367 27.740 -0.108 0.000 2.010 276 C HN 0.707 nan 8.230 nan 0.000 0.486 277 A N -0.654 121.788 122.820 -0.629 0.000 1.902 277 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 277 A C 2.125 179.344 177.584 -0.609 0.000 1.181 277 A CA 2.259 53.937 52.037 -0.598 0.000 0.623 277 A CB -1.073 17.436 19.000 -0.819 0.000 0.818 277 A HN 0.668 nan 8.150 nan 0.000 0.443 278 C N -0.819 117.905 119.300 -0.960 0.000 2.440 278 C HA -0.007 4.451 4.460 -0.003 0.000 0.278 278 C C 3.260 177.631 174.990 -1.033 0.000 1.295 278 C CA 1.130 59.338 59.018 -1.350 0.000 1.738 278 C CB -1.161 24.978 27.740 -2.668 0.000 1.987 278 C HN 0.613 nan 8.230 nan 0.000 0.492 279 S N 0.883 116.116 115.700 -0.778 0.000 2.355 279 S HA -0.123 4.345 4.470 -0.003 0.000 0.222 279 S C 1.955 176.283 174.600 -0.453 0.000 1.031 279 S CA 1.387 59.225 58.200 -0.603 0.000 0.993 279 S CB -0.371 62.466 63.200 -0.604 0.000 0.859 279 S HN 0.474 nan 8.310 nan 0.000 0.453 280 V N 2.220 121.954 119.914 -0.300 0.000 2.287 280 V HA -0.227 3.891 4.120 -0.003 0.000 0.248 280 V C 2.675 178.693 176.094 -0.126 0.000 1.053 280 V CA 1.792 64.000 62.300 -0.154 0.000 1.027 280 V CB -1.231 30.559 31.823 -0.054 0.000 0.646 280 V HN 0.546 nan 8.190 nan 0.000 0.447 281 A N -0.141 122.584 122.820 -0.159 0.000 1.933 281 A HA -0.302 4.016 4.320 -0.003 0.000 0.218 281 A C 2.033 179.598 177.584 -0.031 0.000 1.175 281 A CA 2.250 54.230 52.037 -0.096 0.000 0.628 281 A CB -0.649 18.263 19.000 -0.146 0.000 0.814 281 A HN 0.626 nan 8.150 nan 0.000 0.444 282 D N -0.428 119.968 120.400 -0.008 0.000 2.123 282 D HA -0.067 4.571 4.640 -0.003 0.000 0.200 282 D C 1.729 178.111 176.300 0.138 0.000 0.976 282 D CA 1.144 55.239 54.000 0.158 0.000 0.831 282 D CB -0.176 40.890 40.800 0.443 0.000 0.974 282 D HN 0.467 nan 8.370 nan 0.000 0.469 283 I N 0.141 120.758 120.570 0.079 0.000 2.179 283 I HA -0.236 3.932 4.170 -0.003 0.000 0.242 283 I C 2.288 178.432 176.117 0.044 0.000 1.088 283 I CA 0.763 62.107 61.300 0.073 0.000 1.357 283 I CB -0.204 37.802 38.000 0.010 0.000 1.051 283 I HN 0.126 nan 8.210 nan 0.000 0.409 284 L N 0.133 121.365 121.223 0.016 0.000 2.093 284 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 284 L C 2.757 179.687 176.870 0.100 0.000 1.085 284 L CA 1.157 56.021 54.840 0.040 0.000 0.755 284 L CB -0.617 41.449 42.059 0.011 0.000 0.904 284 L HN 0.245 nan 8.230 nan 0.000 0.435 285 R N 0.616 121.161 120.500 0.074 0.000 2.083 285 R HA -0.223 4.115 4.340 -0.003 0.000 0.237 285 R C 2.494 178.850 176.300 0.093 0.000 1.137 285 R CA 1.741 57.892 56.100 0.084 0.000 0.951 285 R CB -0.183 30.153 30.300 0.060 0.000 0.851 285 R HN 0.197 nan 8.270 nan 0.000 0.434 286 R N -0.896 119.645 120.500 0.069 0.000 2.073 286 R HA -0.206 4.132 4.340 -0.003 0.000 0.234 286 R C 2.291 178.590 176.300 -0.001 0.000 1.134 286 R CA 2.065 58.174 56.100 0.015 0.000 0.952 286 R CB -0.417 29.875 30.300 -0.013 0.000 0.850 286 R HN 0.383 nan 8.270 nan 0.000 0.433 287 H N -0.333 118.696 119.070 -0.069 0.000 2.319 287 H HA -0.190 4.364 4.556 -0.003 0.000 0.299 287 H C 2.118 177.385 175.328 -0.100 0.000 1.092 287 H CA 2.345 58.325 56.048 -0.114 0.000 1.302 287 H CB -0.328 29.378 29.762 -0.094 0.000 1.373 287 H HN 0.317 nan 8.280 nan 0.000 0.497 288 H N -0.042 118.990 119.070 -0.063 0.000 2.319 288 H HA -0.121 4.433 4.556 -0.003 0.000 0.299 288 H C 2.098 177.345 175.328 -0.135 0.000 1.092 288 H CA 1.523 57.509 56.048 -0.104 0.000 1.302 288 H CB -0.112 29.634 29.762 -0.026 0.000 1.373 288 H HN 0.310 nan 8.280 nan 0.000 0.497 289 L N 0.866 122.035 121.223 -0.090 0.000 2.191 289 L HA -0.084 4.254 4.340 -0.003 0.000 0.212 289 L C 2.622 179.359 176.870 -0.220 0.000 1.103 289 L CA 1.341 56.098 54.840 -0.138 0.000 0.769 289 L CB -1.339 40.692 42.059 -0.048 0.000 0.908 289 L HN 0.310 nan 8.230 nan 0.000 0.438 290 A N -1.031 121.635 122.820 -0.256 0.000 2.235 290 A HA 0.244 4.562 4.320 -0.003 0.000 0.208 290 A C 1.685 179.068 177.584 -0.336 0.000 1.172 290 A CA 0.861 52.727 52.037 -0.285 0.000 0.786 290 A CB -0.425 18.382 19.000 -0.322 0.000 0.804 290 A HN 0.542 nan 8.150 nan 0.000 0.479 291 G N -0.899 107.668 108.800 -0.388 0.000 2.137 291 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.237 291 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.237 291 G C 0.197 174.855 174.900 -0.403 0.000 1.002 291 G CA 0.310 45.191 45.100 -0.366 0.000 0.702 291 G HN 0.651 nan 8.290 nan 0.000 0.515 292 R N -0.211 119.940 120.500 -0.582 0.000 2.536 292 R HA 0.578 4.916 4.340 -0.003 0.000 0.279 292 R C 0.017 176.008 176.300 -0.514 0.000 1.001 292 R CA -0.835 54.840 56.100 -0.709 0.000 1.027 292 R CB 0.713 30.229 30.300 -1.307 0.000 1.096 292 R HN -0.052 nan 8.270 nan 0.000 0.502 293 K N 2.101 122.313 120.400 -0.314 0.000 2.174 293 K HA 0.064 4.382 4.320 -0.003 0.000 0.275 293 K C 0.946 177.530 176.600 -0.028 0.000 1.015 293 K CA -0.467 55.715 56.287 -0.174 0.000 0.933 293 K CB 0.927 33.267 32.500 -0.267 0.000 1.025 293 K HN 0.333 nan 8.250 nan 0.000 0.463 294 L N 3.519 124.756 121.223 0.022 0.000 2.013 294 L HA -0.237 4.101 4.340 -0.003 0.000 0.212 294 L C 2.399 179.253 176.870 -0.027 0.000 1.073 294 L CA 1.979 56.823 54.840 0.008 0.000 0.753 294 L CB -0.849 41.156 42.059 -0.091 0.000 0.890 294 L HN 0.844 nan 8.230 nan 0.000 0.432 295 H N -1.215 117.869 119.070 0.024 0.000 2.518 295 H HA -0.088 4.466 4.556 -0.004 0.000 0.289 295 H C 0.903 176.250 175.328 0.032 0.000 1.051 295 H CA 1.369 57.425 56.048 0.013 0.000 1.280 295 H CB -0.140 29.634 29.762 0.020 0.000 1.380 295 H HN 0.552 nan 8.280 nan 0.000 0.566 296 E N 0.844 120.900 120.200 -0.241 0.000 2.465 296 E HA 0.129 4.477 4.350 -0.003 0.000 0.195 296 E C 1.924 178.572 176.600 0.080 0.000 1.028 296 E CA -0.392 55.981 56.400 -0.045 0.000 0.899 296 E CB 0.506 30.189 29.700 -0.029 0.000 1.032 296 E HN 0.351 nan 8.360 nan 0.000 0.468 297 L N 1.046 122.201 121.223 -0.113 0.000 1.997 297 L HA -0.289 4.049 4.340 -0.003 0.000 0.216 297 L C 2.304 179.076 176.870 -0.163 0.000 1.074 297 L CA 1.854 56.464 54.840 -0.384 0.000 0.763 297 L CB -0.317 41.495 42.059 -0.413 0.000 0.890 297 L HN 0.234 nan 8.230 nan 0.000 0.434 298 A N -0.996 121.737 122.820 -0.145 0.000 2.125 298 A HA -0.203 4.115 4.320 -0.003 0.000 0.219 298 A C 1.657 179.158 177.584 -0.138 0.000 1.156 298 A CA 1.630 53.574 52.037 -0.155 0.000 0.671 298 A CB -0.433 18.455 19.000 -0.187 0.000 0.794 298 A HN 0.552 nan 8.150 nan 0.000 0.459 299 D N -2.137 118.199 120.400 -0.107 0.000 2.347 299 D HA -0.004 4.634 4.640 -0.003 0.000 0.213 299 D C 0.628 176.683 176.300 -0.409 0.000 0.985 299 D CA 0.966 54.808 54.000 -0.263 0.000 0.879 299 D CB 0.021 40.617 40.800 -0.339 0.000 0.919 299 D HN 0.673 nan 8.370 nan 0.000 0.526 300 Y N 0.128 120.419 120.300 -0.014 0.000 2.467 300 Y HA 0.198 4.746 4.550 -0.003 0.000 0.259 300 Y C 0.593 176.509 175.900 0.028 0.000 1.084 300 Y CA -0.054 58.065 58.100 0.031 0.000 1.275 300 Y CB 1.115 39.642 38.460 0.113 0.000 1.208 300 Y HN -0.287 nan 8.280 nan 0.000 0.511 301 E N 0.554 120.815 120.200 0.102 0.000 2.272 301 E HA 0.481 4.829 4.350 -0.003 0.000 0.269 301 E C -1.419 175.165 176.600 -0.027 0.000 0.877 301 E CA -0.625 55.806 56.400 0.051 0.000 0.755 301 E CB 3.216 32.904 29.700 -0.019 0.000 1.192 301 E HN -0.142 nan 8.360 nan 0.000 0.422 302 V N 3.652 123.558 119.914 -0.013 0.000 2.735 302 V HA 0.556 4.674 4.120 -0.003 0.000 0.310 302 V C -1.055 175.022 176.094 -0.029 0.000 1.061 302 V CA -0.684 61.621 62.300 0.007 0.000 0.913 302 V CB 1.566 33.468 31.823 0.130 0.000 1.005 302 V HN 0.594 nan 8.190 nan 0.000 0.428 303 I N 5.302 125.866 120.570 -0.009 0.000 2.382 303 I HA 0.410 4.578 4.170 -0.003 0.000 0.285 303 I C -0.555 175.669 176.117 0.179 0.000 1.007 303 I CA -0.558 60.761 61.300 0.032 0.000 1.142 303 I CB 1.752 39.693 38.000 -0.099 0.000 1.289 303 I HN 0.588 nan 8.210 nan 0.000 0.453 304 Q N 6.685 126.576 119.800 0.151 0.000 2.314 304 Q HA 0.426 4.764 4.340 -0.003 0.000 0.257 304 Q C -1.161 174.898 176.000 0.099 0.000 0.975 304 Q CA -0.005 55.912 55.803 0.191 0.000 0.933 304 Q CB 0.915 29.802 28.738 0.247 0.000 1.195 304 Q HN 0.562 nan 8.270 nan 0.000 0.426 305 L N 4.400 125.731 121.223 0.180 0.000 2.260 305 L HA 0.419 4.756 4.340 -0.003 0.000 0.289 305 L C -0.155 176.833 176.870 0.196 0.000 1.057 305 L CA -0.513 54.437 54.840 0.183 0.000 0.811 305 L CB 0.728 42.915 42.059 0.213 0.000 1.184 305 L HN 0.540 nan 8.230 nan 0.000 0.429 306 N N 4.501 123.270 118.700 0.115 0.000 2.462 306 N HA 0.183 4.921 4.740 -0.003 0.000 0.242 306 N C -0.486 175.124 175.510 0.167 0.000 1.010 306 N CA -0.227 52.924 53.050 0.169 0.000 0.939 306 N CB 1.170 39.650 38.487 -0.012 0.000 1.127 306 N HN 0.607 nan 8.380 nan 0.000 0.509 307 D N -0.376 120.199 120.400 0.293 0.000 4.136 307 D HA -0.191 4.447 4.640 -0.003 0.000 0.291 307 D C 1.048 177.495 176.300 0.244 0.000 2.238 307 D CA 1.459 55.582 54.000 0.206 0.000 1.141 307 D CB -0.264 40.423 40.800 -0.189 0.000 1.027 307 D HN 0.553 nan 8.370 nan 0.000 1.223 308 T N -3.559 111.042 114.554 0.078 0.000 3.100 308 T HA 0.055 4.403 4.350 -0.003 0.000 0.253 308 T C 1.494 176.301 174.700 0.178 0.000 1.118 308 T CA 1.496 63.658 62.100 0.103 0.000 1.058 308 T CB -0.401 68.530 68.868 0.105 0.000 0.953 308 T HN 0.501 nan 8.240 nan 0.000 0.515 309 H N 2.855 122.065 119.070 0.233 0.000 2.321 309 H HA -0.043 4.512 4.556 -0.003 0.000 0.295 309 H C -0.717 174.725 175.328 0.189 0.000 1.102 309 H CA 1.496 57.691 56.048 0.244 0.000 1.266 309 H CB -1.028 28.886 29.762 0.253 0.000 1.363 309 H HN 0.438 nan 8.280 nan 0.000 0.492 310 P HA 0.104 nan 4.420 nan 0.000 0.258 310 P C 0.498 177.829 177.300 0.053 0.000 1.416 310 P CA 0.409 63.603 63.100 0.156 0.000 0.927 310 P CB 0.407 32.201 31.700 0.156 0.000 1.444 311 T N 0.835 115.417 114.554 0.045 0.000 2.653 311 T HA -0.208 4.140 4.350 -0.003 0.000 0.268 311 T C 1.609 176.255 174.700 -0.090 0.000 1.035 311 T CA 1.363 63.425 62.100 -0.064 0.000 1.154 311 T CB -0.797 68.068 68.868 -0.005 0.000 0.862 311 T HN 0.080 nan 8.240 nan 0.000 0.441 312 I N 1.381 121.949 120.570 -0.003 0.000 2.657 312 I HA -0.137 4.031 4.170 -0.003 0.000 0.261 312 I C 2.353 178.482 176.117 0.020 0.000 1.212 312 I CA 0.559 61.866 61.300 0.011 0.000 1.453 312 I CB -0.474 37.537 38.000 0.018 0.000 1.092 312 I HN 0.214 nan 8.210 nan 0.000 0.452 313 A N 0.160 122.955 122.820 -0.041 0.000 2.024 313 A HA -0.195 4.123 4.320 -0.003 0.000 0.220 313 A C 2.271 179.765 177.584 -0.149 0.000 1.164 313 A CA 1.831 53.854 52.037 -0.023 0.000 0.643 313 A CB -0.829 18.203 19.000 0.053 0.000 0.806 313 A HN 0.509 nan 8.150 nan 0.000 0.451 314 I N 0.240 120.522 120.570 -0.481 0.000 2.133 314 I HA -0.137 4.031 4.170 -0.003 0.000 0.238 314 I C -0.391 175.681 176.117 -0.075 0.000 1.074 314 I CA 1.437 62.402 61.300 -0.558 0.000 1.342 314 I CB -0.946 36.702 38.000 -0.588 0.000 1.053 314 I HN 0.232 nan 8.210 nan 0.000 0.404 315 P HA -0.169 nan 4.420 nan 0.000 0.221 315 P C 1.278 178.684 177.300 0.177 0.000 1.150 315 P CA 1.438 64.622 63.100 0.139 0.000 0.800 315 P CB 0.024 31.845 31.700 0.201 0.000 0.787 316 E N 0.341 120.713 120.200 0.288 0.000 2.051 316 E HA -0.169 4.179 4.350 -0.003 0.000 0.192 316 E C 1.914 178.627 176.600 0.188 0.000 0.991 316 E CA 0.826 57.435 56.400 0.348 0.000 0.799 316 E CB -1.266 28.644 29.700 0.350 0.000 0.748 316 E HN -0.006 nan 8.360 nan 0.000 0.449 317 L N 0.322 121.652 121.223 0.178 0.000 2.017 317 L HA -0.080 4.258 4.340 -0.003 0.000 0.208 317 L C 2.216 179.136 176.870 0.084 0.000 1.073 317 L CA 1.663 56.590 54.840 0.146 0.000 0.745 317 L CB -0.726 41.474 42.059 0.235 0.000 0.894 317 L HN 0.307 nan 8.230 nan 0.000 0.432 318 L N -0.791 120.467 121.223 0.058 0.000 2.012 318 L HA -0.263 4.075 4.340 -0.003 0.000 0.210 318 L C 2.800 179.683 176.870 0.023 0.000 1.073 318 L CA 1.691 56.524 54.840 -0.011 0.000 0.748 318 L CB -0.596 41.431 42.059 -0.053 0.000 0.891 318 L HN 0.321 nan 8.230 nan 0.000 0.431 319 R N -0.007 120.507 120.500 0.022 0.000 2.094 319 R HA -0.184 4.154 4.340 -0.003 0.000 0.239 319 R C 2.216 178.563 176.300 0.078 0.000 1.137 319 R CA 2.078 58.182 56.100 0.007 0.000 0.943 319 R CB -0.306 29.930 30.300 -0.107 0.000 0.850 319 R HN 0.164 nan 8.270 nan 0.000 0.433 320 V N 1.203 121.182 119.914 0.110 0.000 2.287 320 V HA -0.263 3.855 4.120 -0.003 0.000 0.248 320 V C 2.377 178.602 176.094 0.219 0.000 1.053 320 V CA 1.432 63.825 62.300 0.155 0.000 1.027 320 V CB -0.533 31.382 31.823 0.154 0.000 0.646 320 V HN 0.272 nan 8.190 nan 0.000 0.447 321 L N -0.719 120.597 121.223 0.154 0.000 2.012 321 L HA -0.143 4.195 4.340 -0.003 0.000 0.210 321 L C 2.164 179.125 176.870 0.152 0.000 1.073 321 L CA 1.909 56.833 54.840 0.140 0.000 0.748 321 L CB -0.848 41.232 42.059 0.034 0.000 0.891 321 L HN 0.246 nan 8.230 nan 0.000 0.431 322 I N -0.968 119.668 120.570 0.110 0.000 2.235 322 I HA -0.212 3.956 4.170 -0.003 0.000 0.241 322 I C 1.889 178.073 176.117 0.111 0.000 1.085 322 I CA 1.044 62.413 61.300 0.116 0.000 1.378 322 I CB -0.193 37.886 38.000 0.132 0.000 1.076 322 I HN 0.190 nan 8.210 nan 0.000 0.415 323 D N 0.287 120.746 120.400 0.099 0.000 2.183 323 D HA -0.087 4.551 4.640 -0.003 0.000 0.205 323 D C 1.944 178.267 176.300 0.038 0.000 0.962 323 D CA 1.035 55.083 54.000 0.079 0.000 0.849 323 D CB -0.011 40.845 40.800 0.093 0.000 0.978 323 D HN 0.365 nan 8.370 nan 0.000 0.488 324 E N -0.736 119.472 120.200 0.014 0.000 2.364 324 E HA 0.045 4.393 4.350 -0.003 0.000 0.196 324 E C 0.884 177.283 176.600 -0.335 0.000 0.990 324 E CA 0.339 56.649 56.400 -0.149 0.000 0.886 324 E CB 0.403 29.994 29.700 -0.182 0.000 0.866 324 E HN 0.360 nan 8.360 nan 0.000 0.493 325 H N 0.067 119.161 119.070 0.039 0.000 2.674 325 H HA 0.163 4.717 4.556 -0.003 0.000 0.274 325 H C -0.111 175.245 175.328 0.047 0.000 1.121 325 H CA 0.105 56.177 56.048 0.039 0.000 1.132 325 H CB 0.836 30.622 29.762 0.040 0.000 1.606 325 H HN 0.020 nan 8.280 nan 0.000 0.558 326 Q N -0.000 119.870 119.800 0.118 0.000 2.461 326 Q HA -0.195 4.143 4.340 -0.003 0.000 0.273 326 Q C -0.138 175.929 176.000 0.111 0.000 1.163 326 Q CA 0.645 56.507 55.803 0.099 0.000 0.929 326 Q CB -1.812 26.970 28.738 0.073 0.000 1.334 326 Q HN 0.514 nan 8.270 nan 0.000 0.499 327 M N 0.083 119.759 119.600 0.127 0.000 2.247 327 M HA 0.263 4.741 4.480 -0.003 0.000 0.326 327 M C 0.855 177.224 176.300 0.115 0.000 1.134 327 M CA -0.018 55.346 55.300 0.108 0.000 1.136 327 M CB 0.952 33.607 32.600 0.092 0.000 1.454 327 M HN 0.293 nan 8.290 nan 0.000 0.467 328 S N 1.143 116.912 115.700 0.115 0.000 2.593 328 S HA 0.030 4.498 4.470 -0.003 0.000 0.269 328 S C 0.827 175.545 174.600 0.197 0.000 1.334 328 S CA -0.803 57.490 58.200 0.155 0.000 1.015 328 S CB 0.653 63.935 63.200 0.138 0.000 0.912 328 S HN 0.957 nan 8.310 nan 0.000 0.541 329 W N 1.719 123.070 121.300 0.085 0.000 2.318 329 W HA -0.200 4.457 4.660 -0.004 0.000 0.313 329 W C 0.795 177.402 176.519 0.147 0.000 1.221 329 W CA 2.240 59.649 57.345 0.105 0.000 1.266 329 W CB -0.686 28.810 29.460 0.060 0.000 1.150 329 W HN 0.754 nan 8.180 nan 0.000 0.496 330 D N 0.293 120.871 120.400 0.297 0.000 2.144 330 D HA -0.167 4.471 4.640 -0.003 0.000 0.200 330 D C 1.571 177.956 176.300 0.142 0.000 0.978 330 D CA 1.651 55.788 54.000 0.229 0.000 0.833 330 D CB -0.632 40.295 40.800 0.212 0.000 0.961 330 D HN 0.144 nan 8.370 nan 0.000 0.470 331 D N 0.276 120.737 120.400 0.102 0.000 2.149 331 D HA -0.023 4.615 4.640 -0.003 0.000 0.201 331 D C 2.010 178.328 176.300 0.030 0.000 0.972 331 D CA 1.022 55.063 54.000 0.067 0.000 0.835 331 D CB -0.227 40.611 40.800 0.063 0.000 0.966 331 D HN 0.111 nan 8.370 nan 0.000 0.476 332 A N 0.718 123.532 122.820 -0.009 0.000 1.873 332 A HA -0.163 4.155 4.320 -0.003 0.000 0.215 332 A C 2.146 179.667 177.584 -0.104 0.000 1.186 332 A CA 0.992 52.985 52.037 -0.073 0.000 0.616 332 A CB -1.168 17.761 19.000 -0.120 0.000 0.823 332 A HN 0.417 nan 8.150 nan 0.000 0.442 333 W N 0.820 121.897 121.300 -0.371 0.000 2.363 333 W HA -0.168 4.489 4.660 -0.005 0.000 0.296 333 W C 2.271 178.722 176.519 -0.115 0.000 1.212 333 W CA 1.848 59.011 57.345 -0.303 0.000 1.260 333 W CB -0.228 29.017 29.460 -0.358 0.000 1.131 333 W HN 0.435 nan 8.180 nan 0.000 0.530 334 A N 0.538 123.406 122.820 0.080 0.000 1.978 334 A HA -0.185 4.133 4.320 -0.003 0.000 0.220 334 A C 1.979 179.513 177.584 -0.083 0.000 1.170 334 A CA 1.837 53.887 52.037 0.022 0.000 0.636 334 A CB -0.817 18.223 19.000 0.067 0.000 0.810 334 A HN 0.349 nan 8.150 nan 0.000 0.448 335 I N -0.357 120.154 120.570 -0.099 0.000 2.206 335 I HA -0.172 3.996 4.170 -0.003 0.000 0.239 335 I C 2.918 178.914 176.117 -0.202 0.000 1.078 335 I CA 1.685 62.907 61.300 -0.130 0.000 1.367 335 I CB -0.592 37.344 38.000 -0.106 0.000 1.078 335 I HN 0.491 nan 8.210 nan 0.000 0.413 336 T N -1.287 113.128 114.554 -0.232 0.000 2.746 336 T HA -0.183 4.165 4.350 -0.003 0.000 0.267 336 T C 1.960 176.513 174.700 -0.246 0.000 1.039 336 T CA 1.480 63.466 62.100 -0.190 0.000 1.142 336 T CB -0.881 67.922 68.868 -0.109 0.000 0.866 336 T HN 0.418 nan 8.240 nan 0.000 0.444 337 S N 1.080 116.441 115.700 -0.564 0.000 2.500 337 S HA 0.033 4.501 4.470 -0.003 0.000 0.239 337 S C 1.643 176.149 174.600 -0.157 0.000 0.989 337 S CA 0.293 58.167 58.200 -0.544 0.000 0.951 337 S CB -0.297 62.392 63.200 -0.852 0.000 0.759 337 S HN 0.360 nan 8.310 nan 0.000 0.523 338 K N 0.341 120.655 120.400 -0.144 0.000 2.387 338 K HA 0.304 4.622 4.320 -0.003 0.000 0.203 338 K C 0.785 177.287 176.600 -0.163 0.000 1.030 338 K CA 0.305 56.495 56.287 -0.162 0.000 1.099 338 K CB 0.440 32.807 32.500 -0.222 0.000 0.863 338 K HN 0.390 nan 8.250 nan 0.000 0.529 339 T N -0.239 114.276 114.554 -0.065 0.000 2.999 339 T HA 0.251 4.599 4.350 -0.003 0.000 0.247 339 T C 0.043 174.725 174.700 -0.031 0.000 1.012 339 T CA 0.108 62.104 62.100 -0.172 0.000 1.048 339 T CB 0.154 68.745 68.868 -0.462 0.000 1.020 339 T HN -0.092 nan 8.240 nan 0.000 0.478 340 F N 2.019 122.068 119.950 0.164 0.000 2.408 340 F HA 0.702 5.227 4.527 -0.003 0.000 0.344 340 F C 0.457 176.187 175.800 -0.116 0.000 1.112 340 F CA -1.303 56.735 58.000 0.062 0.000 1.096 340 F CB 0.799 39.762 39.000 -0.061 0.000 1.129 340 F HN 0.004 nan 8.300 nan 0.000 0.486 341 A N 3.227 126.051 122.820 0.006 0.000 2.356 341 A HA 0.712 5.030 4.320 -0.003 0.000 0.323 341 A C -2.120 175.497 177.584 0.054 0.000 1.119 341 A CA -0.630 51.235 52.037 -0.286 0.000 0.790 341 A CB 1.112 19.858 19.000 -0.423 0.000 1.273 341 A HN 0.666 nan 8.150 nan 0.000 0.452 342 Y N 0.697 120.917 120.300 -0.133 0.000 2.376 342 Y HA 0.622 5.169 4.550 -0.005 0.000 0.340 342 Y C -0.479 175.432 175.900 0.019 0.000 0.965 342 Y CA -0.506 57.568 58.100 -0.043 0.000 1.078 342 Y CB 1.973 40.370 38.460 -0.105 0.000 1.193 342 Y HN 0.546 nan 8.280 nan 0.000 0.452 343 T N 7.021 121.374 114.554 -0.334 0.000 2.770 343 T HA 0.220 4.568 4.350 -0.003 0.000 0.283 343 T C -0.639 173.640 174.700 -0.702 0.000 0.988 343 T CA -0.799 61.044 62.100 -0.428 0.000 0.957 343 T CB 0.207 68.998 68.868 -0.128 0.000 0.930 343 T HN 0.694 nan 8.240 nan 0.000 0.443 344 N N 2.418 120.734 118.700 -0.640 0.000 2.422 344 N HA 0.085 4.823 4.740 -0.003 0.000 0.264 344 N C 0.335 175.805 175.510 -0.068 0.000 1.063 344 N CA -0.341 52.563 53.050 -0.242 0.000 0.959 344 N CB 0.571 39.071 38.487 0.021 0.000 1.087 344 N HN 0.671 nan 8.380 nan 0.000 0.483 345 H N 1.689 120.772 119.070 0.020 0.000 2.622 345 H HA 0.100 4.654 4.556 -0.003 0.000 0.269 345 H C -0.047 175.192 175.328 -0.149 0.000 0.977 345 H CA 0.336 56.368 56.048 -0.026 0.000 1.179 345 H CB 1.060 30.815 29.762 -0.011 0.000 1.458 345 H HN 0.519 nan 8.280 nan 0.000 0.531 346 T N -0.137 114.424 114.554 0.011 0.000 2.977 346 T HA 0.193 4.541 4.350 -0.003 0.000 0.345 346 T C 0.290 174.990 174.700 -0.000 0.000 1.562 346 T CA -0.622 61.420 62.100 -0.096 0.000 1.090 346 T CB 0.789 69.608 68.868 -0.081 0.000 1.383 346 T HN 0.053 nan 8.240 nan 0.000 0.484 347 L N 2.846 124.044 121.223 -0.042 0.000 2.554 347 L HA 0.262 4.600 4.340 -0.003 0.000 0.226 347 L C 1.391 178.218 176.870 -0.073 0.000 1.137 347 L CA 0.042 54.863 54.840 -0.031 0.000 0.863 347 L CB -0.210 41.826 42.059 -0.038 0.000 0.985 347 L HN 0.494 nan 8.230 nan 0.000 0.451 348 M N 0.964 120.493 119.600 -0.118 0.000 2.246 348 M HA 0.007 4.485 4.480 -0.003 0.000 0.327 348 M C -1.131 175.154 176.300 -0.024 0.000 1.090 348 M CA -1.125 54.125 55.300 -0.083 0.000 1.087 348 M CB -0.022 32.517 32.600 -0.101 0.000 1.587 348 M HN -0.208 nan 8.290 nan 0.000 0.444 349 P HA -0.127 nan 4.420 nan 0.000 0.221 349 P C 0.948 178.238 177.300 -0.018 0.000 1.150 349 P CA 1.100 64.195 63.100 -0.009 0.000 0.800 349 P CB -0.177 31.518 31.700 -0.009 0.000 0.787 350 E N 0.384 120.576 120.200 -0.013 0.000 2.333 350 E HA -0.102 4.245 4.350 -0.003 0.000 0.198 350 E C 1.493 178.093 176.600 -0.001 0.000 1.007 350 E CA 1.289 57.672 56.400 -0.028 0.000 0.845 350 E CB -0.938 28.743 29.700 -0.032 0.000 0.766 350 E HN 0.199 nan 8.360 nan 0.000 0.507 351 A N 0.973 123.800 122.820 0.012 0.000 2.238 351 A HA 0.247 4.565 4.320 -0.003 0.000 0.210 351 A C 1.256 178.873 177.584 0.057 0.000 1.179 351 A CA -0.177 51.874 52.037 0.023 0.000 0.827 351 A CB 0.013 19.033 19.000 0.033 0.000 0.856 351 A HN 0.155 nan 8.150 nan 0.000 0.488 352 L N 1.662 122.912 121.223 0.046 0.000 2.504 352 L HA 0.271 4.609 4.340 -0.003 0.000 0.249 352 L C -0.554 176.310 176.870 -0.009 0.000 1.120 352 L CA -0.354 54.530 54.840 0.073 0.000 0.997 352 L CB 0.642 42.752 42.059 0.085 0.000 1.349 352 L HN 0.258 nan 8.230 nan 0.000 0.439 353 E N 2.063 122.241 120.200 -0.037 0.000 2.398 353 E HA 0.323 4.671 4.350 -0.003 0.000 0.263 353 E C -0.313 176.105 176.600 -0.303 0.000 1.046 353 E CA -0.027 56.241 56.400 -0.219 0.000 0.908 353 E CB 0.967 30.563 29.700 -0.172 0.000 0.963 353 E HN 0.373 nan 8.360 nan 0.000 0.431 354 R N 1.874 122.051 120.500 -0.537 0.000 2.686 354 R HA 0.417 4.755 4.340 -0.003 0.000 0.283 354 R C -1.388 174.512 176.300 -0.667 0.000 0.978 354 R CA -0.704 55.104 56.100 -0.488 0.000 0.897 354 R CB 1.354 31.389 30.300 -0.442 0.000 1.192 354 R HN 0.465 nan 8.270 nan 0.000 0.457 355 W N 1.187 122.448 121.300 -0.066 0.000 2.819 355 W HA 0.291 4.950 4.660 -0.002 0.000 0.337 355 W C -0.552 175.962 176.519 -0.008 0.000 1.077 355 W CA -0.717 56.617 57.345 -0.018 0.000 1.226 355 W CB 1.347 30.808 29.460 0.000 0.000 1.419 355 W HN 0.303 nan 8.180 nan 0.000 0.502 356 D N 1.693 122.246 120.400 0.255 0.000 2.450 356 D HA -0.024 4.614 4.640 -0.003 0.000 0.247 356 D C 1.269 177.676 176.300 0.178 0.000 1.162 356 D CA 0.315 54.423 54.000 0.180 0.000 0.879 356 D CB 1.630 42.540 40.800 0.184 0.000 1.163 356 D HN 0.144 nan 8.370 nan 0.000 0.472 357 V N 3.947 123.942 119.914 0.134 0.000 2.317 357 V HA -0.303 3.815 4.120 -0.003 0.000 0.251 357 V C 2.473 178.626 176.094 0.098 0.000 1.065 357 V CA 2.022 64.389 62.300 0.113 0.000 1.049 357 V CB -0.413 31.467 31.823 0.095 0.000 0.651 357 V HN 0.672 nan 8.190 nan 0.000 0.450 358 K N -0.126 120.336 120.400 0.102 0.000 2.147 358 K HA -0.190 4.128 4.320 -0.003 0.000 0.205 358 K C 2.191 178.859 176.600 0.114 0.000 1.049 358 K CA 1.817 58.161 56.287 0.094 0.000 0.936 358 K CB -0.164 32.389 32.500 0.087 0.000 0.722 358 K HN 0.512 nan 8.250 nan 0.000 0.446 359 L N 0.991 122.307 121.223 0.154 0.000 2.023 359 L HA -0.139 4.199 4.340 -0.003 0.000 0.205 359 L C 2.229 179.125 176.870 0.043 0.000 1.073 359 L CA 0.879 55.809 54.840 0.150 0.000 0.745 359 L CB -0.165 42.022 42.059 0.213 0.000 0.900 359 L HN -0.047 nan 8.230 nan 0.000 0.435 360 V N 0.224 120.157 119.914 0.032 0.000 2.332 360 V HA -0.357 3.761 4.120 -0.003 0.000 0.248 360 V C 2.554 178.617 176.094 -0.053 0.000 1.055 360 V CA 2.283 64.550 62.300 -0.055 0.000 1.038 360 V CB -0.729 31.085 31.823 -0.015 0.000 0.651 360 V HN 0.457 nan 8.190 nan 0.000 0.450 361 K N 0.137 120.537 120.400 -0.001 0.000 2.097 361 K HA -0.139 4.179 4.320 -0.003 0.000 0.206 361 K C 2.141 178.740 176.600 -0.002 0.000 1.049 361 K CA 1.495 57.779 56.287 -0.005 0.000 0.933 361 K CB -0.519 31.994 32.500 0.023 0.000 0.717 361 K HN 0.538 nan 8.250 nan 0.000 0.442 362 G N 0.352 109.166 108.800 0.023 0.000 2.421 362 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.217 362 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.217 362 G C 1.243 176.162 174.900 0.032 0.000 1.143 362 G CA 0.207 45.333 45.100 0.042 0.000 0.784 362 G HN 0.118 nan 8.290 nan 0.000 0.541 363 L N -0.473 120.740 121.223 -0.018 0.000 2.202 363 L HA 0.456 4.794 4.340 -0.003 0.000 0.205 363 L C 1.051 177.864 176.870 -0.094 0.000 1.083 363 L CA 0.961 55.776 54.840 -0.042 0.000 0.790 363 L CB -0.189 41.802 42.059 -0.113 0.000 0.942 363 L HN 0.086 nan 8.230 nan 0.000 0.452 364 L N 0.829 121.933 121.223 -0.199 0.000 2.551 364 L HA 0.243 4.581 4.340 -0.003 0.000 0.248 364 L C -1.645 175.039 176.870 -0.310 0.000 1.509 364 L CA -0.774 53.844 54.840 -0.371 0.000 0.842 364 L CB 1.256 42.965 42.059 -0.583 0.000 1.087 364 L HN -0.079 nan 8.230 nan 0.000 0.512 365 P HA -0.153 nan 4.420 nan 0.000 0.217 365 P C 1.482 178.623 177.300 -0.265 0.000 1.151 365 P CA 0.969 63.951 63.100 -0.197 0.000 0.828 365 P CB 0.410 32.055 31.700 -0.093 0.000 0.788 366 R N 0.125 120.303 120.500 -0.537 0.000 2.081 366 R HA -0.157 4.181 4.340 -0.003 0.000 0.235 366 R C 2.298 178.381 176.300 -0.362 0.000 1.131 366 R CA 1.783 57.612 56.100 -0.451 0.000 0.960 366 R CB -1.724 28.211 30.300 -0.608 0.000 0.856 366 R HN 0.238 nan 8.270 nan 0.000 0.436 367 H N -1.021 117.809 119.070 -0.400 0.000 2.387 367 H HA -0.074 4.480 4.556 -0.004 0.000 0.299 367 H C 1.689 176.955 175.328 -0.103 0.000 1.090 367 H CA 1.854 57.775 56.048 -0.212 0.000 1.332 367 H CB -0.215 29.390 29.762 -0.260 0.000 1.386 367 H HN 0.144 nan 8.280 nan 0.000 0.516 368 M N 0.709 120.302 119.600 -0.012 0.000 2.117 368 M HA -0.184 4.294 4.480 -0.003 0.000 0.262 368 M C 1.838 178.154 176.300 0.026 0.000 1.065 368 M CA 1.620 56.928 55.300 0.014 0.000 1.114 368 M CB -0.123 32.475 32.600 -0.003 0.000 1.361 368 M HN 0.240 nan 8.290 nan 0.000 0.408 369 Q N -0.470 119.327 119.800 -0.006 0.000 2.084 369 Q HA -0.159 4.179 4.340 -0.003 0.000 0.202 369 Q C 2.124 178.153 176.000 0.048 0.000 0.978 369 Q CA 1.916 57.725 55.803 0.009 0.000 0.844 369 Q CB -0.316 28.416 28.738 -0.010 0.000 0.898 369 Q HN 0.558 nan 8.270 nan 0.000 0.426 370 I N 0.412 121.027 120.570 0.076 0.000 2.226 370 I HA -0.290 3.878 4.170 -0.003 0.000 0.245 370 I C 2.204 178.468 176.117 0.245 0.000 1.100 370 I CA 1.139 62.563 61.300 0.207 0.000 1.374 370 I CB -0.297 37.812 38.000 0.182 0.000 1.057 370 I HN 0.211 nan 8.210 nan 0.000 0.413 371 I N 0.802 121.479 120.570 0.179 0.000 2.179 371 I HA -0.304 3.864 4.170 -0.003 0.000 0.242 371 I C 2.277 178.494 176.117 0.168 0.000 1.088 371 I CA 1.272 62.685 61.300 0.189 0.000 1.357 371 I CB -0.555 37.536 38.000 0.152 0.000 1.051 371 I HN 0.291 nan 8.210 nan 0.000 0.409 372 N N 0.629 119.400 118.700 0.120 0.000 2.149 372 N HA -0.252 4.486 4.740 -0.003 0.000 0.188 372 N C 1.798 177.337 175.510 0.049 0.000 1.019 372 N CA 1.487 54.595 53.050 0.097 0.000 0.857 372 N CB -0.290 38.234 38.487 0.062 0.000 0.997 372 N HN 0.407 nan 8.380 nan 0.000 0.426 373 E N 1.012 121.200 120.200 -0.020 0.000 2.051 373 E HA -0.037 4.311 4.350 -0.003 0.000 0.192 373 E C 2.025 178.512 176.600 -0.189 0.000 0.991 373 E CA 0.829 57.093 56.400 -0.226 0.000 0.799 373 E CB -0.249 29.155 29.700 -0.493 0.000 0.748 373 E HN 0.323 nan 8.360 nan 0.000 0.449 374 I N 0.764 121.377 120.570 0.072 0.000 2.163 374 I HA -0.313 3.855 4.170 -0.003 0.000 0.243 374 I C 2.373 178.611 176.117 0.201 0.000 1.085 374 I CA 1.550 62.961 61.300 0.185 0.000 1.347 374 I CB -0.520 37.685 38.000 0.343 0.000 1.044 374 I HN 0.248 nan 8.210 nan 0.000 0.408 375 N N 0.485 119.333 118.700 0.246 0.000 2.084 375 N HA -0.171 4.566 4.740 -0.003 0.000 0.190 375 N C 1.752 177.475 175.510 0.355 0.000 1.030 375 N CA 2.138 55.421 53.050 0.388 0.000 0.849 375 N CB -0.165 38.537 38.487 0.358 0.000 1.012 375 N HN 0.175 nan 8.380 nan 0.000 0.423 376 T N 0.164 114.809 114.554 0.151 0.000 2.684 376 T HA -0.084 4.264 4.350 -0.003 0.000 0.267 376 T C 1.892 176.581 174.700 -0.019 0.000 1.036 376 T CA 1.194 63.310 62.100 0.026 0.000 1.148 376 T CB -0.175 68.665 68.868 -0.048 0.000 0.863 376 T HN 0.280 nan 8.240 nan 0.000 0.436 377 R N -0.168 120.311 120.500 -0.034 0.000 2.092 377 R HA 0.016 4.354 4.340 -0.003 0.000 0.231 377 R C 2.167 178.534 176.300 0.111 0.000 1.119 377 R CA 1.157 57.230 56.100 -0.046 0.000 0.970 377 R CB -0.426 29.775 30.300 -0.165 0.000 0.864 377 R HN 0.320 nan 8.270 nan 0.000 0.440 378 F N 2.124 122.131 119.950 0.095 0.000 2.234 378 F HA -0.089 4.435 4.527 -0.005 0.000 0.299 378 F C 2.066 178.012 175.800 0.242 0.000 1.087 378 F CA 1.256 59.405 58.000 0.248 0.000 1.340 378 F CB -0.115 39.123 39.000 0.397 0.000 1.031 378 F HN -0.207 nan 8.300 nan 0.000 0.500 379 K N -0.387 119.987 120.400 -0.043 0.000 2.160 379 K HA -0.184 4.134 4.320 -0.003 0.000 0.206 379 K C 1.883 178.235 176.600 -0.414 0.000 1.047 379 K CA 1.827 57.718 56.287 -0.660 0.000 0.930 379 K CB -0.281 31.670 32.500 -0.915 0.000 0.720 379 K HN 0.279 nan 8.250 nan 0.000 0.450 380 T N 1.593 116.019 114.554 -0.212 0.000 2.746 380 T HA -0.167 4.181 4.350 -0.003 0.000 0.267 380 T C 1.618 176.246 174.700 -0.120 0.000 1.039 380 T CA 1.272 63.284 62.100 -0.147 0.000 1.142 380 T CB -0.141 68.680 68.868 -0.079 0.000 0.866 380 T HN 0.174 nan 8.240 nan 0.000 0.444 381 L N 1.171 122.342 121.223 -0.087 0.000 2.109 381 L HA 0.079 4.417 4.340 -0.003 0.000 0.207 381 L C 2.378 179.173 176.870 -0.124 0.000 1.086 381 L CA 1.331 56.142 54.840 -0.048 0.000 0.760 381 L CB -0.686 41.453 42.059 0.134 0.000 0.910 381 L HN 0.048 nan 8.230 nan 0.000 0.437 382 V N 0.091 119.862 119.914 -0.238 0.000 2.407 382 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 382 V C 2.663 178.788 176.094 0.051 0.000 1.055 382 V CA 1.772 64.065 62.300 -0.011 0.000 1.049 382 V CB -0.592 31.261 31.823 0.050 0.000 0.662 382 V HN 0.608 nan 8.190 nan 0.000 0.455 383 E N 0.643 120.783 120.200 -0.101 0.000 2.077 383 E HA -0.217 4.131 4.350 -0.003 0.000 0.193 383 E C 2.234 178.797 176.600 -0.062 0.000 0.989 383 E CA 1.546 57.894 56.400 -0.087 0.000 0.800 383 E CB -0.305 29.299 29.700 -0.161 0.000 0.746 383 E HN 0.368 nan 8.360 nan 0.000 0.452 384 K N -0.490 119.856 120.400 -0.090 0.000 2.063 384 K HA -0.099 4.219 4.320 -0.003 0.000 0.208 384 K C 2.145 178.648 176.600 -0.162 0.000 1.048 384 K CA 1.809 58.035 56.287 -0.103 0.000 0.928 384 K CB -0.324 32.120 32.500 -0.094 0.000 0.713 384 K HN 0.251 nan 8.250 nan 0.000 0.442 385 T N -0.703 113.706 114.554 -0.241 0.000 2.851 385 T HA -0.078 4.270 4.350 -0.003 0.000 0.262 385 T C 0.543 174.879 174.700 -0.607 0.000 1.043 385 T CA 0.784 62.542 62.100 -0.570 0.000 1.140 385 T CB 0.068 68.350 68.868 -0.976 0.000 0.872 385 T HN 0.269 nan 8.240 nan 0.000 0.446 386 W N 2.230 123.490 121.300 -0.068 0.000 2.148 386 W HA 0.341 4.994 4.660 -0.011 0.000 0.288 386 W C -3.145 173.343 176.519 -0.051 0.000 0.920 386 W CA -2.946 54.368 57.345 -0.053 0.000 1.904 386 W CB -0.213 29.219 29.460 -0.046 0.000 2.083 386 W HN 0.057 nan 8.180 nan 0.000 0.398 387 P HA -0.045 nan 4.420 nan 0.000 0.259 387 P C 1.131 178.460 177.300 0.049 0.000 1.163 387 P CA 2.046 65.167 63.100 0.035 0.000 0.760 387 P CB 0.409 32.108 31.700 -0.001 0.000 0.762 388 G N 2.595 111.408 108.800 0.022 0.000 2.205 388 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.269 388 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.269 388 G C 0.285 175.209 174.900 0.040 0.000 0.977 388 G CA 0.264 45.375 45.100 0.017 0.000 0.652 388 G HN 0.647 nan 8.290 nan 0.000 0.539 389 D N 0.629 121.073 120.400 0.073 0.000 2.374 389 D HA 0.349 4.987 4.640 -0.003 0.000 0.240 389 D C 1.395 177.735 176.300 0.066 0.000 1.229 389 D CA -0.394 53.643 54.000 0.060 0.000 0.895 389 D CB 0.465 41.305 40.800 0.066 0.000 1.046 389 D HN 0.207 nan 8.370 nan 0.000 0.498 390 E N 2.843 123.082 120.200 0.065 0.000 2.358 390 E HA -0.065 4.283 4.350 -0.003 0.000 0.195 390 E C 1.363 178.001 176.600 0.063 0.000 1.010 390 E CA 0.427 56.898 56.400 0.119 0.000 0.856 390 E CB 0.279 30.053 29.700 0.122 0.000 0.795 390 E HN 0.384 nan 8.360 nan 0.000 0.504 391 K N 0.124 120.518 120.400 -0.011 0.000 2.025 391 K HA -0.042 4.276 4.320 -0.003 0.000 0.207 391 K C 2.063 178.560 176.600 -0.172 0.000 1.049 391 K CA 0.597 56.835 56.287 -0.082 0.000 0.933 391 K CB -0.341 32.108 32.500 -0.085 0.000 0.714 391 K HN -0.085 nan 8.250 nan 0.000 0.438 392 V N 0.427 120.221 119.914 -0.200 0.000 2.295 392 V HA -0.257 3.861 4.120 -0.003 0.000 0.246 392 V C 1.910 177.842 176.094 -0.271 0.000 1.049 392 V CA 1.753 63.836 62.300 -0.361 0.000 1.024 392 V CB -0.523 30.932 31.823 -0.614 0.000 0.648 392 V HN 0.558 nan 8.190 nan 0.000 0.447 393 W N 1.053 122.200 121.300 -0.254 0.000 2.321 393 W HA -0.285 4.372 4.660 -0.005 0.000 0.306 393 W C 2.333 178.675 176.519 -0.295 0.000 1.217 393 W CA 1.976 59.201 57.345 -0.200 0.000 1.257 393 W CB -0.200 29.198 29.460 -0.103 0.000 1.145 393 W HN 0.311 nan 8.180 nan 0.000 0.509 394 A N 0.597 123.086 122.820 -0.552 0.000 1.972 394 A HA -0.240 4.078 4.320 -0.003 0.000 0.219 394 A C 2.003 179.085 177.584 -0.837 0.000 1.169 394 A CA 1.962 53.363 52.037 -1.061 0.000 0.635 394 A CB -0.816 17.781 19.000 -0.672 0.000 0.810 394 A HN 0.401 nan 8.150 nan 0.000 0.446 395 K N -0.577 119.491 120.400 -0.554 0.000 2.103 395 K HA 0.101 4.419 4.320 -0.003 0.000 0.204 395 K C 1.405 177.736 176.600 -0.449 0.000 1.052 395 K CA 0.993 57.016 56.287 -0.441 0.000 0.945 395 K CB -0.129 32.149 32.500 -0.371 0.000 0.722 395 K HN 0.489 nan 8.250 nan 0.000 0.443 396 L N 0.390 121.317 121.223 -0.494 0.000 2.590 396 L HA 0.273 4.611 4.340 -0.003 0.000 0.227 396 L C 0.691 177.452 176.870 -0.180 0.000 1.099 396 L CA -0.478 54.197 54.840 -0.275 0.000 0.872 396 L CB 0.201 42.177 42.059 -0.139 0.000 1.088 396 L HN 0.059 nan 8.230 nan 0.000 0.479 397 A N 0.292 122.617 122.820 -0.824 0.000 2.483 397 A HA 0.199 4.517 4.320 -0.003 0.000 0.238 397 A C 1.267 178.707 177.584 -0.240 0.000 1.070 397 A CA -0.062 51.384 52.037 -0.985 0.000 0.770 397 A CB 0.684 18.805 19.000 -1.466 0.000 1.008 397 A HN -0.022 nan 8.150 nan 0.000 0.497 398 V N 1.773 121.717 119.914 0.051 0.000 2.446 398 V HA -0.038 4.080 4.120 -0.003 0.000 0.244 398 V C 0.572 176.802 176.094 0.226 0.000 1.039 398 V CA 1.319 63.719 62.300 0.168 0.000 1.045 398 V CB -0.070 31.883 31.823 0.216 0.000 0.681 398 V HN 0.567 nan 8.190 nan 0.000 0.459 399 V N 1.235 121.290 119.914 0.235 0.000 2.448 399 V HA 0.562 4.680 4.120 -0.003 0.000 0.295 399 V C -0.601 175.664 176.094 0.286 0.000 1.025 399 V CA -0.548 61.914 62.300 0.271 0.000 0.859 399 V CB 1.415 33.379 31.823 0.234 0.000 0.988 399 V HN 0.470 nan 8.190 nan 0.000 0.431 400 H N 3.302 122.472 119.070 0.167 0.000 3.112 400 H HA 0.198 4.753 4.556 -0.002 0.000 0.347 400 H C -0.675 174.747 175.328 0.155 0.000 1.188 400 H CA -0.392 55.711 56.048 0.093 0.000 1.240 400 H CB 2.069 31.759 29.762 -0.120 0.000 1.920 400 H HN 0.719 nan 8.280 nan 0.000 0.535 401 D N 3.851 124.037 120.400 -0.356 0.000 2.686 401 D HA -0.189 4.449 4.640 -0.003 0.000 0.235 401 D C 0.185 176.493 176.300 0.013 0.000 1.160 401 D CA 1.587 55.504 54.000 -0.139 0.000 0.645 401 D CB -0.499 40.288 40.800 -0.021 0.000 1.039 401 D HN 0.697 nan 8.370 nan 0.000 0.423 402 K N -1.943 118.472 120.400 0.025 0.000 3.274 402 K HA -0.255 4.063 4.320 -0.003 0.000 0.300 402 K C 0.076 176.727 176.600 0.084 0.000 1.230 402 K CA 1.162 57.483 56.287 0.057 0.000 0.884 402 K CB -1.547 30.976 32.500 0.040 0.000 1.242 402 K HN 0.615 nan 8.250 nan 0.000 0.467 403 Q N 0.085 119.950 119.800 0.108 0.000 2.394 403 Q HA 0.521 4.859 4.340 -0.003 0.000 0.273 403 Q C -0.409 175.661 176.000 0.117 0.000 1.089 403 Q CA -0.912 54.929 55.803 0.064 0.000 0.812 403 Q CB 2.746 31.437 28.738 -0.078 0.000 1.353 403 Q HN -0.052 nan 8.270 nan 0.000 0.438 404 V N 1.902 121.881 119.914 0.109 0.000 2.439 404 V HA 0.191 4.309 4.120 -0.003 0.000 0.282 404 V C -0.251 175.884 176.094 0.067 0.000 1.039 404 V CA -0.505 61.900 62.300 0.176 0.000 0.913 404 V CB 0.998 32.948 31.823 0.211 0.000 0.983 404 V HN 0.654 nan 8.190 nan 0.000 0.460 405 H N 6.181 125.319 119.070 0.114 0.000 2.724 405 H HA 0.239 4.794 4.556 -0.002 0.000 0.278 405 H C 0.441 175.819 175.328 0.084 0.000 1.159 405 H CA -0.727 55.372 56.048 0.085 0.000 1.254 405 H CB 1.457 31.265 29.762 0.076 0.000 1.412 405 H HN 0.545 nan 8.280 nan 0.000 0.488 406 M N 1.400 121.081 119.600 0.136 0.000 2.213 406 M HA -0.094 4.384 4.480 -0.003 0.000 0.263 406 M C 2.314 178.612 176.300 -0.004 0.000 1.062 406 M CA 0.818 56.179 55.300 0.102 0.000 1.105 406 M CB -0.943 31.752 32.600 0.158 0.000 1.385 406 M HN 0.608 nan 8.290 nan 0.000 0.417 407 A N 0.690 123.541 122.820 0.052 0.000 1.898 407 A HA -0.147 4.171 4.320 -0.003 0.000 0.216 407 A C 2.043 179.576 177.584 -0.085 0.000 1.181 407 A CA 1.630 53.663 52.037 -0.007 0.000 0.620 407 A CB -0.660 18.528 19.000 0.313 0.000 0.819 407 A HN 0.431 nan 8.150 nan 0.000 0.442 408 N N -0.088 118.667 118.700 0.091 0.000 2.120 408 N HA -0.132 4.606 4.740 -0.003 0.000 0.188 408 N C 1.534 176.960 175.510 -0.140 0.000 1.024 408 N CA 1.373 54.455 53.050 0.053 0.000 0.852 408 N CB -0.572 38.051 38.487 0.227 0.000 1.003 408 N HN 0.415 nan 8.380 nan 0.000 0.424 409 L N 0.705 121.886 121.223 -0.070 0.000 2.079 409 L HA -0.114 4.224 4.340 -0.003 0.000 0.210 409 L C 1.950 178.679 176.870 -0.234 0.000 1.081 409 L CA 1.526 56.312 54.840 -0.090 0.000 0.752 409 L CB -0.872 41.187 42.059 0.001 0.000 0.896 409 L HN 0.156 nan 8.230 nan 0.000 0.433 410 C N -1.746 117.326 119.300 -0.381 0.000 2.429 410 C HA -0.123 4.335 4.460 -0.003 0.000 0.277 410 C C 2.941 177.626 174.990 -0.510 0.000 1.262 410 C CA 1.030 59.724 59.018 -0.539 0.000 1.733 410 C CB -1.022 26.073 27.740 -1.075 0.000 2.010 410 C HN 0.610 nan 8.230 nan 0.000 0.483 411 V N 0.285 119.839 119.914 -0.600 0.000 2.453 411 V HA -0.066 4.052 4.120 -0.003 0.000 0.247 411 V C 2.167 177.915 176.094 -0.578 0.000 1.048 411 V CA 2.154 64.075 62.300 -0.632 0.000 1.049 411 V CB -0.428 30.861 31.823 -0.889 0.000 0.672 411 V HN 0.382 nan 8.190 nan 0.000 0.457 412 V N 1.352 120.951 119.914 -0.526 0.000 2.515 412 V HA 0.004 4.121 4.120 -0.003 0.000 0.250 412 V C 2.522 178.507 176.094 -0.181 0.000 1.058 412 V CA 1.991 64.056 62.300 -0.393 0.000 1.064 412 V CB -0.913 30.679 31.823 -0.385 0.000 0.675 412 V HN 0.677 nan 8.190 nan 0.000 0.461 413 G N -1.010 107.680 108.800 -0.183 0.000 3.088 413 G HA2 0.445 4.403 3.960 -0.003 0.000 0.217 413 G HA3 0.445 4.403 3.960 -0.003 0.000 0.217 413 G C 0.470 175.158 174.900 -0.352 0.000 1.159 413 G CA 0.625 45.578 45.100 -0.244 0.000 0.760 413 G HN 0.618 nan 8.290 nan 0.000 0.550 414 G N -0.521 108.107 108.800 -0.287 0.000 3.013 414 G HA2 0.483 4.441 3.960 -0.003 0.000 0.278 414 G HA3 0.483 4.441 3.960 -0.003 0.000 0.278 414 G C 0.153 174.943 174.900 -0.184 0.000 1.353 414 G CA -0.721 44.273 45.100 -0.176 0.000 1.043 414 G HN 0.259 nan 8.290 nan 0.000 0.523 415 F N -1.722 118.144 119.950 -0.140 0.000 2.704 415 F HA 0.755 5.280 4.527 -0.003 0.000 0.304 415 F C 0.433 176.181 175.800 -0.086 0.000 1.094 415 F CA -0.391 57.525 58.000 -0.140 0.000 1.275 415 F CB 0.397 39.345 39.000 -0.086 0.000 1.073 415 F HN 0.558 nan 8.300 nan 0.000 0.586 416 A N 0.636 123.070 122.820 -0.643 0.000 2.547 416 A HA 0.732 5.050 4.320 -0.003 0.000 0.297 416 A C -1.622 175.763 177.584 -0.332 0.000 1.056 416 A CA -0.662 51.136 52.037 -0.399 0.000 0.688 416 A CB 1.473 20.177 19.000 -0.493 0.000 1.282 416 A HN 0.050 nan 8.150 nan 0.000 0.400 417 V N 3.592 123.326 119.914 -0.301 0.000 2.656 417 V HA 0.621 4.739 4.120 -0.003 0.000 0.307 417 V C -0.665 175.376 176.094 -0.087 0.000 1.051 417 V CA -0.780 61.366 62.300 -0.257 0.000 0.893 417 V CB 1.885 33.406 31.823 -0.503 0.000 0.999 417 V HN 1.029 nan 8.190 nan 0.000 0.426 418 N N 2.656 121.308 118.700 -0.081 0.000 2.242 418 N HA 0.625 5.363 4.740 -0.003 0.000 0.292 418 N C -0.341 175.133 175.510 -0.060 0.000 1.125 418 N CA -0.336 52.697 53.050 -0.028 0.000 0.783 418 N CB 2.833 41.269 38.487 -0.086 0.000 1.558 418 N HN 0.680 nan 8.380 nan 0.000 0.472 419 G N -0.852 107.933 108.800 -0.025 0.000 2.642 419 G HA2 0.469 4.427 3.960 -0.003 0.000 0.291 419 G HA3 0.469 4.427 3.960 -0.003 0.000 0.291 419 G C 0.580 175.557 174.900 0.129 0.000 1.345 419 G CA -0.329 44.786 45.100 0.025 0.000 1.043 419 G HN 0.736 nan 8.290 nan 0.000 0.528 420 V N -4.292 115.830 119.914 0.348 0.000 3.346 420 V HA 0.719 4.837 4.120 -0.003 0.000 0.309 420 V C 0.427 176.605 176.094 0.139 0.000 1.457 420 V CA 0.465 62.857 62.300 0.153 0.000 1.069 420 V CB -0.447 31.410 31.823 0.057 0.000 0.944 420 V HN 1.389 nan 8.190 nan 0.000 0.449 421 A N -0.566 122.351 122.820 0.163 0.000 2.604 421 A HA 0.887 5.205 4.320 -0.003 0.000 0.295 421 A C 0.872 178.515 177.584 0.099 0.000 1.067 421 A CA 0.042 52.152 52.037 0.121 0.000 0.683 421 A CB 1.039 20.100 19.000 0.101 0.000 1.281 421 A HN 0.956 nan 8.150 nan 0.000 0.407 422 A N 0.507 123.367 122.820 0.067 0.000 1.884 422 A HA -0.119 4.199 4.320 -0.003 0.000 0.219 422 A C 1.968 179.566 177.584 0.024 0.000 1.197 422 A CA 2.019 54.076 52.037 0.035 0.000 0.637 422 A CB -0.941 18.075 19.000 0.026 0.000 0.827 422 A HN 1.420 nan 8.150 nan 0.000 0.450 423 L N -1.185 120.059 121.223 0.035 0.000 2.042 423 L HA -0.251 4.087 4.340 -0.003 0.000 0.210 423 L C 2.708 179.596 176.870 0.029 0.000 1.076 423 L CA 2.433 57.285 54.840 0.020 0.000 0.749 423 L CB -0.551 41.520 42.059 0.020 0.000 0.893 423 L HN 0.759 nan 8.230 nan 0.000 0.432 424 H N -1.158 117.893 119.070 -0.031 0.000 2.357 424 H HA -0.137 4.418 4.556 -0.002 0.000 0.301 424 H C 2.155 177.462 175.328 -0.035 0.000 1.082 424 H CA 1.568 57.591 56.048 -0.042 0.000 1.342 424 H CB 0.344 30.084 29.762 -0.037 0.000 1.389 424 H HN 0.345 nan 8.280 nan 0.000 0.511 425 S N 0.062 115.662 115.700 -0.166 0.000 2.402 425 S HA -0.135 4.333 4.470 -0.003 0.000 0.229 425 S C 1.690 176.194 174.600 -0.159 0.000 1.021 425 S CA 1.350 59.433 58.200 -0.195 0.000 0.974 425 S CB -0.225 62.941 63.200 -0.057 0.000 0.800 425 S HN 0.552 nan 8.310 nan 0.000 0.484 426 D N 1.236 121.563 120.400 -0.121 0.000 2.144 426 D HA -0.026 4.612 4.640 -0.003 0.000 0.200 426 D C 1.778 177.987 176.300 -0.152 0.000 0.978 426 D CA 0.832 54.758 54.000 -0.124 0.000 0.833 426 D CB -0.104 40.648 40.800 -0.081 0.000 0.961 426 D HN 0.292 nan 8.370 nan 0.000 0.470 427 L N -0.363 120.770 121.223 -0.151 0.000 2.141 427 L HA -0.093 4.245 4.340 -0.003 0.000 0.209 427 L C 2.465 179.211 176.870 -0.207 0.000 1.094 427 L CA 0.326 55.074 54.840 -0.154 0.000 0.763 427 L CB -0.323 41.672 42.059 -0.107 0.000 0.908 427 L HN 0.040 nan 8.230 nan 0.000 0.437 428 V N -0.633 119.115 119.914 -0.275 0.000 2.392 428 V HA -0.255 3.863 4.120 -0.003 0.000 0.249 428 V C 2.357 178.374 176.094 -0.128 0.000 1.059 428 V CA 1.525 63.694 62.300 -0.218 0.000 1.051 428 V CB -0.140 31.593 31.823 -0.151 0.000 0.658 428 V HN 0.204 nan 8.190 nan 0.000 0.455 429 V N -0.858 118.934 119.914 -0.203 0.000 2.407 429 V HA -0.155 3.963 4.120 -0.003 0.000 0.245 429 V C 2.345 178.269 176.094 -0.284 0.000 1.041 429 V CA 1.831 63.903 62.300 -0.379 0.000 1.040 429 V CB -0.339 31.120 31.823 -0.607 0.000 0.671 429 V HN 0.490 nan 8.190 nan 0.000 0.455 430 K N -0.576 119.693 120.400 -0.217 0.000 2.116 430 K HA -0.078 4.240 4.320 -0.003 0.000 0.203 430 K C 1.517 178.039 176.600 -0.129 0.000 1.052 430 K CA 1.493 57.688 56.287 -0.154 0.000 0.952 430 K CB 0.014 32.439 32.500 -0.126 0.000 0.729 430 K HN 0.411 nan 8.250 nan 0.000 0.446 431 D N -0.632 119.680 120.400 -0.147 0.000 2.514 431 D HA -0.017 4.621 4.640 -0.003 0.000 0.249 431 D C 1.462 177.654 176.300 -0.181 0.000 1.036 431 D CA 0.245 54.159 54.000 -0.143 0.000 0.911 431 D CB 0.149 40.868 40.800 -0.134 0.000 1.145 431 D HN -0.045 nan 8.370 nan 0.000 0.495 432 L N -0.715 120.349 121.223 -0.264 0.000 2.145 432 L HA 0.210 4.548 4.340 -0.003 0.000 0.201 432 L C 0.067 176.665 176.870 -0.453 0.000 1.075 432 L CA 1.469 56.020 54.840 -0.483 0.000 0.773 432 L CB 0.011 41.613 42.059 -0.763 0.000 0.936 432 L HN -0.175 nan 8.230 nan 0.000 0.451 433 F N 0.354 120.336 119.950 0.053 0.000 2.688 433 F HA 0.420 4.945 4.527 -0.004 0.000 0.376 433 F C -1.718 174.068 175.800 -0.024 0.000 1.428 433 F CA -2.268 55.812 58.000 0.133 0.000 1.156 433 F CB -0.300 38.974 39.000 0.457 0.000 1.141 433 F HN 0.013 nan 8.300 nan 0.000 0.521 434 P HA -0.144 nan 4.420 nan 0.000 0.216 434 P C 1.019 178.342 177.300 0.039 0.000 1.153 434 P CA 1.596 64.692 63.100 -0.006 0.000 0.848 434 P CB 0.511 32.180 31.700 -0.051 0.000 0.787 435 E N -0.650 119.518 120.200 -0.053 0.000 2.047 435 E HA -0.169 4.179 4.350 -0.003 0.000 0.191 435 E C 2.151 178.809 176.600 0.097 0.000 0.987 435 E CA 1.191 57.550 56.400 -0.068 0.000 0.799 435 E CB -1.269 28.167 29.700 -0.440 0.000 0.752 435 E HN 0.287 nan 8.360 nan 0.000 0.449 436 Y N 0.281 120.692 120.300 0.185 0.000 2.256 436 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 436 Y C 2.423 178.483 175.900 0.266 0.000 1.155 436 Y CA 1.444 59.695 58.100 0.251 0.000 1.203 436 Y CB -0.631 38.125 38.460 0.494 0.000 0.980 436 Y HN 0.339 nan 8.280 nan 0.000 0.530 437 H N 0.375 119.507 119.070 0.104 0.000 2.423 437 H HA -0.126 4.426 4.556 -0.007 0.000 0.297 437 H C 1.503 176.862 175.328 0.052 0.000 1.075 437 H CA 1.573 57.536 56.048 -0.141 0.000 1.342 437 H CB 0.285 29.725 29.762 -0.536 0.000 1.395 437 H HN 0.468 nan 8.280 nan 0.000 0.530 438 Q N 0.241 120.041 119.800 0.001 0.000 2.119 438 Q HA -0.090 4.248 4.340 -0.003 0.000 0.201 438 Q C 2.698 178.650 176.000 -0.080 0.000 0.972 438 Q CA 1.031 56.815 55.803 -0.032 0.000 0.847 438 Q CB 0.214 29.030 28.738 0.129 0.000 0.903 438 Q HN 0.442 nan 8.270 nan 0.000 0.433 439 L N -0.890 120.281 121.223 -0.086 0.000 2.027 439 L HA -0.091 4.247 4.340 -0.003 0.000 0.206 439 L C 0.629 177.346 176.870 -0.256 0.000 1.074 439 L CA 0.713 55.333 54.840 -0.366 0.000 0.745 439 L CB 0.129 41.673 42.059 -0.859 0.000 0.898 439 L HN 0.369 nan 8.230 nan 0.000 0.433 440 W N -0.371 121.063 121.300 0.223 0.000 2.104 440 W HA 0.294 4.955 4.660 0.001 0.000 0.291 440 W C -1.913 174.737 176.519 0.218 0.000 0.936 440 W CA -1.839 55.632 57.345 0.210 0.000 1.856 440 W CB -0.435 29.181 29.460 0.261 0.000 2.036 440 W HN -0.003 nan 8.180 nan 0.000 0.393 441 P HA -0.185 nan 4.420 nan 0.000 0.218 441 P C 1.000 178.435 177.300 0.224 0.000 1.149 441 P CA 1.565 64.622 63.100 -0.071 0.000 0.817 441 P CB 0.420 31.969 31.700 -0.251 0.000 0.785 442 N N 0.408 119.222 118.700 0.189 0.000 2.521 442 N HA -0.073 4.665 4.740 -0.003 0.000 0.188 442 N C 1.589 177.140 175.510 0.067 0.000 1.146 442 N CA 0.640 53.765 53.050 0.125 0.000 0.893 442 N CB -0.447 38.114 38.487 0.124 0.000 0.975 442 N HN 0.479 nan 8.380 nan 0.000 0.451 443 K N -0.407 120.081 120.400 0.147 0.000 2.393 443 K HA 0.068 4.386 4.320 -0.003 0.000 0.193 443 K C -0.396 175.978 176.600 -0.377 0.000 1.026 443 K CA 0.009 56.264 56.287 -0.054 0.000 1.064 443 K CB 0.073 32.523 32.500 -0.084 0.000 0.833 443 K HN -0.160 nan 8.250 nan 0.000 0.521 444 F N 2.359 122.197 119.950 -0.187 0.000 2.408 444 F HA 0.368 4.897 4.527 0.004 0.000 0.344 444 F C 0.634 176.140 175.800 -0.491 0.000 1.112 444 F CA -0.444 57.453 58.000 -0.173 0.000 1.096 444 F CB 0.878 39.935 39.000 0.095 0.000 1.129 444 F HN 0.022 nan 8.300 nan 0.000 0.486 445 H N 0.928 120.064 119.070 0.111 0.000 2.960 445 H HA 0.291 4.846 4.556 -0.002 0.000 0.338 445 H C -1.206 174.103 175.328 -0.032 0.000 1.261 445 H CA -1.073 54.983 56.048 0.014 0.000 1.136 445 H CB 2.287 31.997 29.762 -0.086 0.000 1.875 445 H HN 0.500 nan 8.280 nan 0.000 0.550 446 N N 0.682 119.425 118.700 0.072 0.000 2.314 446 N HA 0.366 5.104 4.740 -0.003 0.000 0.304 446 N C -1.599 173.837 175.510 -0.123 0.000 1.073 446 N CA -0.397 52.644 53.050 -0.016 0.000 0.822 446 N CB 2.038 40.519 38.487 -0.010 0.000 1.280 446 N HN 0.189 nan 8.380 nan 0.000 0.489 447 V N 2.435 122.239 119.914 -0.183 0.000 2.462 447 V HA 0.180 4.298 4.120 -0.003 0.000 0.288 447 V C -0.032 176.021 176.094 -0.068 0.000 1.020 447 V CA -0.725 61.407 62.300 -0.279 0.000 0.857 447 V CB 1.247 32.588 31.823 -0.803 0.000 1.013 447 V HN 0.683 nan 8.190 nan 0.000 0.431 448 T N 4.564 119.117 114.554 -0.002 0.000 2.934 448 T HA 0.081 4.429 4.350 -0.003 0.000 0.306 448 T C 0.608 175.428 174.700 0.201 0.000 1.042 448 T CA 0.189 62.352 62.100 0.104 0.000 1.145 448 T CB 0.075 69.009 68.868 0.110 0.000 0.982 448 T HN 0.612 nan 8.240 nan 0.000 0.544 449 N N 1.014 119.864 118.700 0.250 0.000 2.297 449 N HA 0.479 5.217 4.740 -0.003 0.000 0.232 449 N C 0.506 176.223 175.510 0.345 0.000 1.311 449 N CA 0.213 53.459 53.050 0.326 0.000 0.897 449 N CB 0.473 39.078 38.487 0.197 0.000 1.137 449 N HN 0.877 nan 8.380 nan 0.000 0.449 450 G N -1.285 107.743 108.800 0.381 0.000 2.649 450 G HA2 0.617 4.575 3.960 -0.003 0.000 0.290 450 G HA3 0.617 4.575 3.960 -0.003 0.000 0.290 450 G C -1.392 173.670 174.900 0.270 0.000 1.426 450 G CA -0.636 44.668 45.100 0.340 0.000 0.794 450 G HN 0.554 nan 8.290 nan 0.000 0.483 451 I N -2.414 118.296 120.570 0.233 0.000 2.828 451 I HA 0.774 4.942 4.170 -0.003 0.000 0.302 451 I C -0.012 176.284 176.117 0.298 0.000 1.101 451 I CA -1.010 60.419 61.300 0.214 0.000 1.031 451 I CB 2.246 40.263 38.000 0.028 0.000 1.231 451 I HN 0.468 nan 8.210 nan 0.000 0.427 452 T N 4.197 118.988 114.554 0.395 0.000 2.794 452 T HA 0.430 4.778 4.350 -0.003 0.000 0.296 452 T C -1.732 173.130 174.700 0.270 0.000 0.949 452 T CA -1.422 60.845 62.100 0.280 0.000 1.101 452 T CB 0.702 69.679 68.868 0.181 0.000 0.905 452 T HN 0.613 nan 8.240 nan 0.000 0.516 453 P HA 0.061 nan 4.420 nan 0.000 0.230 453 P C 1.111 178.453 177.300 0.070 0.000 1.158 453 P CA 0.379 63.589 63.100 0.184 0.000 0.769 453 P CB 0.284 32.088 31.700 0.174 0.000 0.807 454 R N -0.163 120.303 120.500 -0.056 0.000 2.054 454 R HA 0.056 4.394 4.340 -0.003 0.000 0.223 454 R C 2.501 178.733 176.300 -0.113 0.000 1.176 454 R CA 1.346 57.364 56.100 -0.138 0.000 0.934 454 R CB -1.317 28.895 30.300 -0.147 0.000 0.828 454 R HN 0.007 nan 8.270 nan 0.000 0.441 455 R N -0.601 119.776 120.500 -0.206 0.000 2.091 455 R HA -0.154 4.184 4.340 -0.003 0.000 0.238 455 R C 1.355 177.423 176.300 -0.388 0.000 1.136 455 R CA 1.909 57.750 56.100 -0.432 0.000 0.959 455 R CB -0.259 29.564 30.300 -0.794 0.000 0.856 455 R HN 0.324 nan 8.270 nan 0.000 0.437 456 W N -0.780 120.536 121.300 0.027 0.000 3.256 456 W HA 0.250 4.909 4.660 -0.002 0.000 0.269 456 W C 1.148 177.698 176.519 0.051 0.000 1.310 456 W CA -0.432 56.934 57.345 0.036 0.000 1.673 456 W CB 0.413 29.898 29.460 0.042 0.000 1.115 456 W HN 0.134 nan 8.180 nan 0.000 0.686 457 I N -1.975 118.738 120.570 0.239 0.000 3.680 457 I HA -0.045 4.123 4.170 -0.003 0.000 0.261 457 I C 2.156 178.387 176.117 0.190 0.000 1.121 457 I CA -0.123 61.305 61.300 0.212 0.000 1.429 457 I CB -0.207 37.959 38.000 0.277 0.000 1.719 457 I HN -0.414 nan 8.210 nan 0.000 0.413 458 K N 1.153 121.691 120.400 0.230 0.000 2.032 458 K HA -0.270 4.048 4.320 -0.003 0.000 0.209 458 K C 2.093 178.704 176.600 0.019 0.000 1.048 458 K CA 2.171 58.551 56.287 0.155 0.000 0.927 458 K CB 0.031 32.538 32.500 0.011 0.000 0.712 458 K HN 0.249 nan 8.250 nan 0.000 0.441 459 Q N -0.097 119.677 119.800 -0.043 0.000 2.061 459 Q HA -0.133 4.205 4.340 -0.003 0.000 0.195 459 Q C 2.381 178.326 176.000 -0.091 0.000 0.967 459 Q CA 1.695 57.434 55.803 -0.106 0.000 0.829 459 Q CB 0.067 28.712 28.738 -0.155 0.000 0.900 459 Q HN 0.624 nan 8.270 nan 0.000 0.450 460 C N -0.412 118.849 119.300 -0.065 0.000 2.512 460 C HA 0.274 4.732 4.460 -0.003 0.000 0.276 460 C C 1.123 176.108 174.990 -0.009 0.000 1.368 460 C CA -0.315 58.680 59.018 -0.039 0.000 1.755 460 C CB -0.578 27.157 27.740 -0.008 0.000 2.008 460 C HN 0.320 nan 8.230 nan 0.000 0.511 461 N N 1.656 120.361 118.700 0.009 0.000 2.886 461 N HA 0.332 5.070 4.740 -0.003 0.000 0.285 461 N C -1.892 173.609 175.510 -0.015 0.000 1.706 461 N CA -1.825 51.219 53.050 -0.010 0.000 0.904 461 N CB 0.771 39.253 38.487 -0.009 0.000 1.224 461 N HN 0.281 nan 8.380 nan 0.000 0.488 462 P HA -0.032 nan 4.420 nan 0.000 0.219 462 P C 1.017 178.304 177.300 -0.022 0.000 1.150 462 P CA 0.745 63.832 63.100 -0.022 0.000 0.814 462 P CB 0.386 32.049 31.700 -0.062 0.000 0.787 463 A N -0.044 122.746 122.820 -0.050 0.000 1.898 463 A HA -0.138 4.180 4.320 -0.003 0.000 0.216 463 A C 2.150 179.673 177.584 -0.101 0.000 1.181 463 A CA 1.386 53.381 52.037 -0.070 0.000 0.620 463 A CB -1.624 17.326 19.000 -0.083 0.000 0.819 463 A HN 0.178 nan 8.150 nan 0.000 0.442 464 L N -0.204 120.942 121.223 -0.129 0.000 2.093 464 L HA -0.007 4.331 4.340 -0.003 0.000 0.208 464 L C 2.570 179.348 176.870 -0.154 0.000 1.085 464 L CA 2.031 56.761 54.840 -0.183 0.000 0.755 464 L CB -0.755 41.174 42.059 -0.217 0.000 0.904 464 L HN 0.328 nan 8.230 nan 0.000 0.435 465 A N -0.359 122.431 122.820 -0.051 0.000 1.902 465 A HA -0.104 4.214 4.320 -0.003 0.000 0.217 465 A C 2.463 180.134 177.584 0.145 0.000 1.181 465 A CA 1.809 53.908 52.037 0.103 0.000 0.623 465 A CB -1.133 18.066 19.000 0.332 0.000 0.818 465 A HN 0.574 nan 8.150 nan 0.000 0.443 466 A N -0.576 122.285 122.820 0.068 0.000 1.898 466 A HA -0.015 4.303 4.320 -0.003 0.000 0.216 466 A C 2.122 179.711 177.584 0.009 0.000 1.181 466 A CA 1.668 53.739 52.037 0.058 0.000 0.620 466 A CB -0.632 18.379 19.000 0.018 0.000 0.819 466 A HN 0.675 nan 8.150 nan 0.000 0.442 467 L N -0.030 121.154 121.223 -0.064 0.000 2.079 467 L HA -0.134 4.204 4.340 -0.003 0.000 0.210 467 L C 2.271 179.076 176.870 -0.108 0.000 1.081 467 L CA 1.627 56.406 54.840 -0.102 0.000 0.752 467 L CB -0.449 41.501 42.059 -0.181 0.000 0.896 467 L HN 0.426 nan 8.230 nan 0.000 0.433 468 L N -0.939 120.163 121.223 -0.203 0.000 2.017 468 L HA -0.219 4.119 4.340 -0.003 0.000 0.208 468 L C 2.295 179.115 176.870 -0.083 0.000 1.073 468 L CA 1.388 56.001 54.840 -0.378 0.000 0.745 468 L CB -1.057 40.300 42.059 -1.170 0.000 0.894 468 L HN 0.254 nan 8.230 nan 0.000 0.432 469 D N 0.315 120.843 120.400 0.213 0.000 2.133 469 D HA -0.242 4.396 4.640 -0.003 0.000 0.195 469 D C 2.108 178.496 176.300 0.146 0.000 0.997 469 D CA 1.471 55.658 54.000 0.311 0.000 0.840 469 D CB -0.084 40.878 40.800 0.269 0.000 0.947 469 D HN 0.292 nan 8.370 nan 0.000 0.452 470 K N 0.313 120.755 120.400 0.070 0.000 2.103 470 K HA -0.009 4.309 4.320 -0.003 0.000 0.204 470 K C 1.953 178.564 176.600 0.018 0.000 1.052 470 K CA 0.977 57.290 56.287 0.043 0.000 0.945 470 K CB 0.203 32.715 32.500 0.020 0.000 0.722 470 K HN -0.093 nan 8.250 nan 0.000 0.443 471 S N 0.406 116.068 115.700 -0.062 0.000 2.470 471 S HA 0.132 4.600 4.470 -0.003 0.000 0.225 471 S C 0.460 175.037 174.600 -0.040 0.000 1.006 471 S CA 0.216 58.291 58.200 -0.207 0.000 0.934 471 S CB 0.110 62.951 63.200 -0.600 0.000 0.778 471 S HN 0.153 nan 8.310 nan 0.000 0.517 472 L N 1.457 122.699 121.223 0.032 0.000 2.334 472 L HA 0.370 4.708 4.340 -0.003 0.000 0.276 472 L C 1.390 178.341 176.870 0.134 0.000 1.014 472 L CA -0.470 54.433 54.840 0.105 0.000 0.815 472 L CB 1.426 43.559 42.059 0.123 0.000 1.268 472 L HN 0.027 nan 8.230 nan 0.000 0.428 473 Q N 2.039 121.914 119.800 0.125 0.000 2.084 473 Q HA -0.072 4.266 4.340 -0.003 0.000 0.202 473 Q C 0.065 176.131 176.000 0.110 0.000 0.978 473 Q CA 1.461 57.328 55.803 0.106 0.000 0.844 473 Q CB 0.398 29.187 28.738 0.085 0.000 0.898 473 Q HN 0.532 nan 8.270 nan 0.000 0.426 474 K N 0.665 121.140 120.400 0.125 0.000 2.185 474 K HA 0.166 4.484 4.320 -0.003 0.000 0.240 474 K C -0.811 175.877 176.600 0.146 0.000 0.983 474 K CA -0.681 55.673 56.287 0.112 0.000 0.873 474 K CB 1.421 33.975 32.500 0.090 0.000 1.118 474 K HN -0.064 nan 8.250 nan 0.000 0.441 475 E N 1.811 122.056 120.200 0.075 0.000 2.415 475 E HA -0.103 4.245 4.350 -0.003 0.000 0.263 475 E C -0.028 176.575 176.600 0.005 0.000 0.995 475 E CA 0.315 56.703 56.400 -0.019 0.000 0.915 475 E CB 0.316 29.989 29.700 -0.045 0.000 0.951 475 E HN 0.627 nan 8.360 nan 0.000 0.449 476 W N 3.616 124.923 121.300 0.012 0.000 2.993 476 W HA 0.372 5.030 4.660 -0.004 0.000 0.290 476 W C 0.913 177.396 176.519 -0.060 0.000 1.203 476 W CA 0.321 57.660 57.345 -0.009 0.000 1.582 476 W CB -0.604 28.857 29.460 0.001 0.000 1.033 476 W HN 0.582 nan 8.180 nan 0.000 0.594 477 A N 2.893 125.072 122.820 -1.068 0.000 2.015 477 A HA -0.226 4.092 4.320 -0.003 0.000 0.219 477 A C 1.463 178.661 177.584 -0.644 0.000 1.163 477 A CA 1.834 53.190 52.037 -1.135 0.000 0.646 477 A CB -0.984 17.052 19.000 -1.606 0.000 0.806 477 A HN 0.388 nan 8.150 nan 0.000 0.448 478 N N -1.393 117.054 118.700 -0.422 0.000 2.401 478 N HA 0.191 4.929 4.740 -0.003 0.000 0.264 478 N C -0.904 174.566 175.510 -0.066 0.000 1.238 478 N CA 0.140 53.072 53.050 -0.196 0.000 0.889 478 N CB 0.454 38.896 38.487 -0.074 0.000 1.196 478 N HN 0.120 nan 8.380 nan 0.000 0.511 479 D N 0.154 120.536 120.400 -0.031 0.000 3.449 479 D HA 0.075 4.713 4.640 -0.003 0.000 0.262 479 D C 0.351 176.709 176.300 0.098 0.000 1.343 479 D CA -0.382 53.637 54.000 0.033 0.000 0.787 479 D CB 0.005 40.826 40.800 0.035 0.000 1.412 479 D HN -0.022 nan 8.370 nan 0.000 0.652 480 L N 0.849 122.136 121.223 0.106 0.000 2.187 480 L HA -0.043 4.295 4.340 -0.003 0.000 0.213 480 L C 1.448 178.385 176.870 0.113 0.000 1.100 480 L CA 1.665 56.601 54.840 0.160 0.000 0.765 480 L CB -0.095 42.052 42.059 0.148 0.000 0.904 480 L HN 0.216 nan 8.230 nan 0.000 0.437 481 D N -0.856 119.584 120.400 0.066 0.000 2.265 481 D HA -0.199 4.439 4.640 -0.003 0.000 0.208 481 D C 1.971 178.306 176.300 0.057 0.000 0.977 481 D CA 0.655 54.679 54.000 0.040 0.000 0.871 481 D CB 0.024 40.833 40.800 0.015 0.000 0.925 481 D HN 0.444 nan 8.370 nan 0.000 0.485 482 Q N 0.049 119.906 119.800 0.095 0.000 2.234 482 Q HA -0.119 4.219 4.340 -0.003 0.000 0.206 482 Q C 2.183 178.235 176.000 0.087 0.000 0.980 482 Q CA 0.328 56.195 55.803 0.107 0.000 0.869 482 Q CB -0.304 28.536 28.738 0.171 0.000 0.912 482 Q HN 0.305 nan 8.270 nan 0.000 0.436 483 L N 0.341 121.611 121.223 0.079 0.000 2.261 483 L HA -0.172 4.166 4.340 -0.003 0.000 0.216 483 L C 2.091 178.973 176.870 0.019 0.000 1.114 483 L CA 0.897 55.753 54.840 0.027 0.000 0.777 483 L CB -0.733 41.340 42.059 0.023 0.000 0.910 483 L HN 0.183 nan 8.230 nan 0.000 0.440 484 I N -0.241 120.343 120.570 0.024 0.000 2.567 484 I HA -0.259 3.909 4.170 -0.003 0.000 0.257 484 I C 2.011 178.136 176.117 0.012 0.000 1.184 484 I CA 1.187 62.493 61.300 0.010 0.000 1.451 484 I CB -0.474 37.528 38.000 0.003 0.000 1.089 484 I HN 0.364 nan 8.210 nan 0.000 0.441 485 N N 0.109 118.830 118.700 0.035 0.000 2.520 485 N HA -0.070 4.668 4.740 -0.003 0.000 0.185 485 N C 1.728 177.305 175.510 0.112 0.000 1.068 485 N CA 0.769 53.853 53.050 0.057 0.000 0.911 485 N CB -0.068 38.469 38.487 0.084 0.000 0.961 485 N HN 0.423 nan 8.380 nan 0.000 0.446 486 L N 0.968 122.238 121.223 0.079 0.000 2.478 486 L HA -0.021 4.317 4.340 -0.003 0.000 0.223 486 L C 2.014 178.910 176.870 0.043 0.000 1.140 486 L CA 0.449 55.347 54.840 0.097 0.000 0.842 486 L CB -0.123 41.918 42.059 -0.030 0.000 0.953 486 L HN 0.107 nan 8.230 nan 0.000 0.452 487 E N 0.886 121.075 120.200 -0.017 0.000 2.070 487 E HA -0.295 4.053 4.350 -0.003 0.000 0.197 487 E C 1.956 178.484 176.600 -0.120 0.000 1.004 487 E CA 1.914 58.272 56.400 -0.070 0.000 0.805 487 E CB -0.015 29.646 29.700 -0.066 0.000 0.744 487 E HN 0.551 nan 8.360 nan 0.000 0.451 488 K N 0.150 120.443 120.400 -0.179 0.000 2.209 488 K HA -0.113 4.205 4.320 -0.003 0.000 0.204 488 K C 1.563 177.941 176.600 -0.371 0.000 1.048 488 K CA 1.260 57.371 56.287 -0.294 0.000 0.940 488 K CB -0.391 31.872 32.500 -0.395 0.000 0.729 488 K HN 0.060 nan 8.250 nan 0.000 0.451 489 F N 1.285 120.999 119.950 -0.394 0.000 2.661 489 F HA 0.149 4.674 4.527 -0.004 0.000 0.298 489 F C 2.319 177.851 175.800 -0.447 0.000 1.137 489 F CA 0.475 58.110 58.000 -0.608 0.000 1.454 489 F CB -0.236 37.903 39.000 -1.435 0.000 1.103 489 F HN 0.094 nan 8.300 nan 0.000 0.577 490 A N -0.326 122.405 122.820 -0.147 0.000 2.067 490 A HA -0.148 4.170 4.320 -0.003 0.000 0.219 490 A C 1.774 179.338 177.584 -0.033 0.000 1.158 490 A CA 1.654 53.652 52.037 -0.065 0.000 0.661 490 A CB -0.480 18.463 19.000 -0.094 0.000 0.801 490 A HN 0.208 nan 8.150 nan 0.000 0.452 491 D N -0.020 120.340 120.400 -0.067 0.000 2.355 491 D HA -0.008 4.630 4.640 -0.003 0.000 0.218 491 D C -0.133 176.158 176.300 -0.015 0.000 1.004 491 D CA 0.390 54.361 54.000 -0.049 0.000 0.880 491 D CB -0.002 40.749 40.800 -0.081 0.000 0.911 491 D HN 0.381 nan 8.370 nan 0.000 0.528 492 D N 0.160 120.572 120.400 0.020 0.000 2.313 492 D HA 0.272 4.910 4.640 -0.003 0.000 0.239 492 D C 1.014 177.403 176.300 0.149 0.000 1.142 492 D CA -0.397 53.656 54.000 0.087 0.000 0.847 492 D CB 1.466 42.350 40.800 0.142 0.000 1.082 492 D HN -0.095 nan 8.370 nan 0.000 0.480 493 A N 5.307 128.186 122.820 0.097 0.000 1.933 493 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 493 A C 2.014 179.661 177.584 0.105 0.000 1.175 493 A CA 1.223 53.312 52.037 0.087 0.000 0.628 493 A CB -0.351 18.679 19.000 0.051 0.000 0.814 493 A HN 0.644 nan 8.150 nan 0.000 0.444 494 K N -1.367 119.104 120.400 0.119 0.000 2.002 494 K HA -0.166 4.151 4.320 -0.003 0.000 0.209 494 K C 1.864 178.547 176.600 0.138 0.000 1.048 494 K CA 1.718 58.071 56.287 0.111 0.000 0.930 494 K CB -0.372 32.194 32.500 0.111 0.000 0.714 494 K HN 0.421 nan 8.250 nan 0.000 0.438 495 F N 2.049 122.047 119.950 0.080 0.000 2.126 495 F HA -0.199 4.326 4.527 -0.004 0.000 0.299 495 F C 2.283 178.127 175.800 0.073 0.000 1.096 495 F CA 1.522 59.570 58.000 0.080 0.000 1.255 495 F CB -0.041 39.047 39.000 0.146 0.000 0.997 495 F HN -0.003 nan 8.300 nan 0.000 0.479 496 R N -0.093 120.562 120.500 0.257 0.000 2.083 496 R HA -0.251 4.087 4.340 -0.003 0.000 0.237 496 R C 2.377 178.709 176.300 0.054 0.000 1.137 496 R CA 1.919 58.105 56.100 0.144 0.000 0.951 496 R CB -0.791 29.584 30.300 0.125 0.000 0.851 496 R HN 0.491 nan 8.270 nan 0.000 0.434 497 Q N 0.911 120.731 119.800 0.033 0.000 2.084 497 Q HA -0.222 4.116 4.340 -0.003 0.000 0.202 497 Q C 1.994 177.969 176.000 -0.040 0.000 0.978 497 Q CA 1.534 57.339 55.803 0.004 0.000 0.844 497 Q CB 0.090 28.831 28.738 0.005 0.000 0.898 497 Q HN 0.436 nan 8.270 nan 0.000 0.426 498 Q N -0.780 118.962 119.800 -0.096 0.000 2.050 498 Q HA -0.213 4.125 4.340 -0.003 0.000 0.202 498 Q C 1.884 177.771 176.000 -0.188 0.000 0.980 498 Q CA 1.705 57.410 55.803 -0.163 0.000 0.840 498 Q CB -0.238 28.353 28.738 -0.246 0.000 0.898 498 Q HN 0.480 nan 8.270 nan 0.000 0.424 499 Y N 1.231 121.285 120.300 -0.410 0.000 2.181 499 Y HA -0.246 4.302 4.550 -0.004 0.000 0.288 499 Y C 2.430 178.241 175.900 -0.150 0.000 1.146 499 Y CA 1.796 59.696 58.100 -0.334 0.000 1.164 499 Y CB -0.036 38.204 38.460 -0.367 0.000 0.982 499 Y HN -0.065 nan 8.280 nan 0.000 0.515 500 R N 0.394 120.961 120.500 0.111 0.000 2.075 500 R HA -0.171 4.167 4.340 -0.003 0.000 0.232 500 R C 2.087 178.364 176.300 -0.039 0.000 1.126 500 R CA 1.916 58.059 56.100 0.072 0.000 0.963 500 R CB -0.302 30.037 30.300 0.066 0.000 0.858 500 R HN 0.448 nan 8.270 nan 0.000 0.435 501 E N 0.310 120.472 120.200 -0.063 0.000 2.118 501 E HA -0.194 4.154 4.350 -0.003 0.000 0.195 501 E C 2.011 178.547 176.600 -0.108 0.000 0.992 501 E CA 1.546 57.898 56.400 -0.080 0.000 0.804 501 E CB -0.083 29.574 29.700 -0.072 0.000 0.741 501 E HN 0.417 nan 8.360 nan 0.000 0.458 502 I N 0.900 121.377 120.570 -0.154 0.000 2.179 502 I HA -0.287 3.881 4.170 -0.003 0.000 0.242 502 I C 2.448 178.461 176.117 -0.174 0.000 1.088 502 I CA 0.997 62.189 61.300 -0.180 0.000 1.357 502 I CB -0.188 37.658 38.000 -0.257 0.000 1.051 502 I HN 0.000 nan 8.210 nan 0.000 0.409 503 K N 0.838 121.118 120.400 -0.200 0.000 2.044 503 K HA -0.233 4.085 4.320 -0.003 0.000 0.210 503 K C 2.158 178.683 176.600 -0.126 0.000 1.049 503 K CA 1.691 57.890 56.287 -0.146 0.000 0.927 503 K CB -0.266 32.184 32.500 -0.084 0.000 0.713 503 K HN 0.184 nan 8.250 nan 0.000 0.443 504 Q N -0.256 119.473 119.800 -0.119 0.000 2.124 504 Q HA -0.038 4.300 4.340 -0.003 0.000 0.202 504 Q C 2.145 178.079 176.000 -0.109 0.000 0.977 504 Q CA 1.648 57.372 55.803 -0.132 0.000 0.850 504 Q CB -0.490 28.185 28.738 -0.106 0.000 0.901 504 Q HN 0.450 nan 8.270 nan 0.000 0.429 505 A N 1.692 124.461 122.820 -0.085 0.000 1.902 505 A HA -0.201 4.117 4.320 -0.003 0.000 0.217 505 A C 1.849 179.406 177.584 -0.045 0.000 1.181 505 A CA 1.517 53.519 52.037 -0.057 0.000 0.623 505 A CB -0.504 18.462 19.000 -0.056 0.000 0.818 505 A HN 0.329 nan 8.150 nan 0.000 0.443 506 N N 0.284 118.949 118.700 -0.060 0.000 2.149 506 N HA -0.165 4.573 4.740 -0.003 0.000 0.188 506 N C 1.565 177.078 175.510 0.004 0.000 1.019 506 N CA 1.692 54.724 53.050 -0.030 0.000 0.857 506 N CB -0.362 38.101 38.487 -0.040 0.000 0.997 506 N HN 0.600 nan 8.380 nan 0.000 0.426 507 K N 0.369 120.731 120.400 -0.063 0.000 2.097 507 K HA 0.005 4.323 4.320 -0.003 0.000 0.205 507 K C 2.030 178.678 176.600 0.079 0.000 1.050 507 K CA 0.626 56.866 56.287 -0.079 0.000 0.938 507 K CB -0.080 32.059 32.500 -0.601 0.000 0.718 507 K HN -0.049 nan 8.250 nan 0.000 0.442 508 V N 1.602 121.525 119.914 0.016 0.000 2.343 508 V HA -0.245 3.873 4.120 -0.003 0.000 0.247 508 V C 2.214 178.364 176.094 0.094 0.000 1.051 508 V CA 1.667 64.002 62.300 0.058 0.000 1.036 508 V CB -0.462 31.372 31.823 0.018 0.000 0.654 508 V HN 0.283 nan 8.190 nan 0.000 0.451 509 R N -0.539 120.006 120.500 0.075 0.000 2.096 509 R HA -0.139 4.199 4.340 -0.003 0.000 0.235 509 R C 2.254 178.640 176.300 0.143 0.000 1.127 509 R CA 1.491 57.644 56.100 0.088 0.000 0.968 509 R CB -0.556 29.774 30.300 0.050 0.000 0.861 509 R HN 0.409 nan 8.270 nan 0.000 0.440 510 L N 0.920 122.248 121.223 0.175 0.000 2.046 510 L HA -0.070 4.268 4.340 -0.003 0.000 0.208 510 L C 2.306 179.334 176.870 0.263 0.000 1.077 510 L CA 1.837 56.822 54.840 0.240 0.000 0.747 510 L CB -0.559 41.667 42.059 0.277 0.000 0.896 510 L HN 0.102 nan 8.230 nan 0.000 0.432 511 A N -0.620 122.354 122.820 0.258 0.000 1.948 511 A HA -0.275 4.043 4.320 -0.003 0.000 0.220 511 A C 2.150 179.822 177.584 0.148 0.000 1.177 511 A CA 2.107 54.259 52.037 0.192 0.000 0.636 511 A CB -0.662 18.457 19.000 0.199 0.000 0.815 511 A HN 0.657 nan 8.150 nan 0.000 0.449 512 E N -1.566 118.728 120.200 0.157 0.000 2.047 512 E HA -0.137 4.211 4.350 -0.003 0.000 0.191 512 E C 1.776 178.479 176.600 0.171 0.000 0.987 512 E CA 1.181 57.663 56.400 0.136 0.000 0.799 512 E CB -0.298 29.479 29.700 0.129 0.000 0.752 512 E HN 0.660 nan 8.360 nan 0.000 0.449 513 F N 1.419 121.404 119.950 0.059 0.000 2.091 513 F HA -0.262 4.263 4.527 -0.004 0.000 0.299 513 F C 2.122 177.955 175.800 0.055 0.000 1.103 513 F CA 1.178 59.213 58.000 0.057 0.000 1.228 513 F CB -0.338 38.701 39.000 0.066 0.000 0.984 513 F HN -0.188 nan 8.300 nan 0.000 0.477 514 V N 0.477 120.464 119.914 0.121 0.000 2.332 514 V HA -0.345 3.773 4.120 -0.003 0.000 0.248 514 V C 2.421 178.485 176.094 -0.050 0.000 1.055 514 V CA 2.343 64.640 62.300 -0.004 0.000 1.038 514 V CB -0.779 31.067 31.823 0.038 0.000 0.651 514 V HN 0.326 nan 8.190 nan 0.000 0.450 515 K N 0.702 121.100 120.400 -0.003 0.000 2.026 515 K HA -0.176 4.142 4.320 -0.003 0.000 0.208 515 K C 2.052 178.630 176.600 -0.037 0.000 1.048 515 K CA 2.137 58.421 56.287 -0.005 0.000 0.929 515 K CB -0.533 31.982 32.500 0.024 0.000 0.713 515 K HN 0.417 nan 8.250 nan 0.000 0.439 516 V N -0.596 119.283 119.914 -0.058 0.000 2.453 516 V HA -0.062 4.056 4.120 -0.003 0.000 0.247 516 V C 1.884 177.893 176.094 -0.142 0.000 1.048 516 V CA 1.286 63.540 62.300 -0.078 0.000 1.049 516 V CB -0.459 31.336 31.823 -0.046 0.000 0.672 516 V HN 0.244 nan 8.190 nan 0.000 0.457 517 R N 1.123 121.462 120.500 -0.269 0.000 2.240 517 R HA 0.073 4.411 4.340 -0.003 0.000 0.203 517 R C 2.065 178.292 176.300 -0.121 0.000 1.011 517 R CA 1.489 57.431 56.100 -0.264 0.000 1.007 517 R CB -0.349 29.665 30.300 -0.476 0.000 0.911 517 R HN 0.828 nan 8.270 nan 0.000 0.468 518 T N -5.734 108.775 114.554 -0.075 0.000 3.009 518 T HA 0.217 4.565 4.350 -0.003 0.000 0.267 518 T C 1.289 175.990 174.700 0.002 0.000 0.942 518 T CA 0.646 62.741 62.100 -0.008 0.000 0.883 518 T CB 0.950 69.834 68.868 0.026 0.000 1.192 518 T HN 0.255 nan 8.240 nan 0.000 0.524 519 G N 1.778 110.572 108.800 -0.010 0.000 2.205 519 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.261 519 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.261 519 G C -0.001 174.903 174.900 0.006 0.000 0.980 519 G CA 0.259 45.360 45.100 0.001 0.000 0.632 519 G HN 0.691 nan 8.290 nan 0.000 0.533 520 I N 1.014 121.588 120.570 0.006 0.000 2.519 520 I HA 0.414 4.582 4.170 -0.003 0.000 0.287 520 I C 0.582 176.703 176.117 0.007 0.000 1.047 520 I CA -0.268 61.035 61.300 0.006 0.000 1.381 520 I CB 1.304 39.307 38.000 0.005 0.000 1.417 520 I HN 0.129 nan 8.210 nan 0.000 0.540 521 E N 6.361 126.566 120.200 0.010 0.000 2.109 521 E HA 0.462 4.810 4.350 -0.003 0.000 0.278 521 E C -0.944 175.666 176.600 0.016 0.000 0.954 521 E CA -0.507 55.905 56.400 0.019 0.000 0.779 521 E CB 0.913 30.625 29.700 0.021 0.000 1.093 521 E HN 0.445 nan 8.360 nan 0.000 0.401 522 I N 1.027 121.612 120.570 0.026 0.000 2.474 522 I HA 0.538 4.706 4.170 -0.003 0.000 0.294 522 I C -0.450 175.732 176.117 0.109 0.000 1.005 522 I CA -1.215 60.097 61.300 0.021 0.000 1.113 522 I CB 1.754 39.694 38.000 -0.100 0.000 1.289 522 I HN 0.237 nan 8.210 nan 0.000 0.436 523 N N 7.541 126.313 118.700 0.121 0.000 2.408 523 N HA 0.342 5.080 4.740 -0.003 0.000 0.257 523 N C -1.690 173.962 175.510 0.237 0.000 1.064 523 N CA -2.477 50.656 53.050 0.138 0.000 0.952 523 N CB 1.026 39.559 38.487 0.075 0.000 1.093 523 N HN 0.466 nan 8.380 nan 0.000 0.490 524 P HA -0.073 nan 4.420 nan 0.000 0.239 524 P C 0.036 177.253 177.300 -0.138 0.000 1.184 524 P CA 0.841 63.923 63.100 -0.030 0.000 0.760 524 P CB 0.426 32.104 31.700 -0.037 0.000 0.884 525 Q N -0.758 119.023 119.800 -0.032 0.000 2.408 525 Q HA 0.195 4.533 4.340 -0.003 0.000 0.205 525 Q C 1.123 177.101 176.000 -0.036 0.000 0.919 525 Q CA 0.110 55.890 55.803 -0.039 0.000 0.932 525 Q CB 0.182 28.914 28.738 -0.010 0.000 1.058 525 Q HN 0.202 nan 8.270 nan 0.000 0.517 526 A N 1.269 124.085 122.820 -0.007 0.000 2.304 526 A HA 0.403 4.721 4.320 -0.003 0.000 0.271 526 A C 0.134 177.630 177.584 -0.147 0.000 1.091 526 A CA -0.550 51.463 52.037 -0.040 0.000 0.812 526 A CB 0.248 19.278 19.000 0.050 0.000 1.056 526 A HN 0.231 nan 8.150 nan 0.000 0.489 527 I N 1.536 121.878 120.570 -0.380 0.000 2.587 527 I HA -0.000 4.168 4.170 -0.003 0.000 0.284 527 I C -0.696 175.361 176.117 -0.100 0.000 1.134 527 I CA 0.264 61.241 61.300 -0.539 0.000 1.410 527 I CB -0.046 37.479 38.000 -0.793 0.000 1.392 527 I HN 0.344 nan 8.210 nan 0.000 0.545 528 F N 5.118 124.881 119.950 -0.311 0.000 2.404 528 F HA 0.173 4.698 4.527 -0.004 0.000 0.359 528 F C 0.667 176.297 175.800 -0.284 0.000 1.134 528 F CA -0.880 56.970 58.000 -0.251 0.000 1.160 528 F CB 0.011 38.933 39.000 -0.131 0.000 1.186 528 F HN 0.391 nan 8.300 nan 0.000 0.526 529 D N 5.630 125.845 120.400 -0.308 0.000 2.373 529 D HA 0.334 4.972 4.640 -0.003 0.000 0.227 529 D C -0.513 175.603 176.300 -0.306 0.000 1.091 529 D CA -0.075 53.685 54.000 -0.400 0.000 0.840 529 D CB 0.626 40.873 40.800 -0.922 0.000 1.060 529 D HN 0.344 nan 8.370 nan 0.000 0.502 530 I N 3.041 123.497 120.570 -0.190 0.000 2.436 530 I HA 0.235 4.403 4.170 -0.003 0.000 0.289 530 I C -0.098 175.880 176.117 -0.232 0.000 1.010 530 I CA -0.729 60.442 61.300 -0.215 0.000 1.098 530 I CB 2.164 40.096 38.000 -0.112 0.000 1.266 530 I HN 0.189 nan 8.210 nan 0.000 0.434 531 Q N 8.096 127.669 119.800 -0.379 0.000 2.401 531 Q HA 0.588 4.926 4.340 -0.003 0.000 0.260 531 Q C -1.410 174.393 176.000 -0.328 0.000 1.034 531 Q CA -0.543 55.068 55.803 -0.320 0.000 0.737 531 Q CB 1.478 30.012 28.738 -0.341 0.000 1.227 531 Q HN 0.724 nan 8.270 nan 0.000 0.488 532 I N 1.785 122.176 120.570 -0.299 0.000 2.466 532 I HA 0.725 4.893 4.170 -0.003 0.000 0.289 532 I C -1.085 174.823 176.117 -0.348 0.000 1.026 532 I CA -0.706 60.291 61.300 -0.506 0.000 1.078 532 I CB 1.549 39.197 38.000 -0.587 0.000 1.249 532 I HN 0.582 nan 8.210 nan 0.000 0.429 533 K N 3.510 123.708 120.400 -0.337 0.000 3.533 533 K HA 0.353 4.670 4.320 -0.003 0.000 0.377 533 K C -1.400 175.206 176.600 0.009 0.000 1.081 533 K CA -1.218 55.035 56.287 -0.057 0.000 0.823 533 K CB 0.658 33.117 32.500 -0.068 0.000 1.496 533 K HN 0.601 nan 8.250 nan 0.000 0.480 534 R N 0.339 120.880 120.500 0.069 0.000 2.734 534 R HA 0.135 4.473 4.340 -0.003 0.000 0.266 534 R C -0.051 176.270 176.300 0.036 0.000 1.044 534 R CA -0.745 55.409 56.100 0.091 0.000 1.128 534 R CB 0.145 30.508 30.300 0.105 0.000 1.010 534 R HN 0.339 nan 8.270 nan 0.000 0.461 535 L N 4.280 125.540 121.223 0.061 0.000 2.385 535 L HA 0.127 4.465 4.340 -0.003 0.000 0.281 535 L C -0.425 176.403 176.870 -0.071 0.000 1.106 535 L CA 0.761 55.588 54.840 -0.022 0.000 0.856 535 L CB -0.276 41.764 42.059 -0.032 0.000 1.186 535 L HN 0.601 nan 8.230 nan 0.000 0.453 536 H N 3.282 122.216 119.070 -0.228 0.000 2.974 536 H HA 0.179 4.733 4.556 -0.003 0.000 0.366 536 H C 0.398 175.541 175.328 -0.309 0.000 1.155 536 H CA -0.364 55.559 56.048 -0.208 0.000 1.186 536 H CB 1.595 31.210 29.762 -0.246 0.000 1.799 536 H HN 0.648 nan 8.280 nan 0.000 0.541 537 E N 2.109 122.258 120.200 -0.084 0.000 2.130 537 E HA -0.257 4.091 4.350 -0.003 0.000 0.196 537 E C 1.316 177.778 176.600 -0.230 0.000 0.998 537 E CA 1.959 58.275 56.400 -0.140 0.000 0.806 537 E CB -0.090 29.542 29.700 -0.115 0.000 0.738 537 E HN 0.594 nan 8.360 nan 0.000 0.459 538 Y N 0.584 120.671 120.300 -0.355 0.000 2.403 538 Y HA -0.067 4.482 4.550 -0.001 0.000 0.291 538 Y C 1.446 177.251 175.900 -0.160 0.000 1.143 538 Y CA 0.888 58.653 58.100 -0.558 0.000 1.257 538 Y CB -0.180 38.004 38.460 -0.461 0.000 0.984 538 Y HN -0.177 nan 8.280 nan 0.000 0.550 539 K N 0.555 120.688 120.400 -0.444 0.000 2.365 539 K HA 0.106 4.424 4.320 -0.003 0.000 0.197 539 K C 0.206 176.764 176.600 -0.071 0.000 1.042 539 K CA 0.500 56.610 56.287 -0.295 0.000 0.987 539 K CB 0.038 32.301 32.500 -0.396 0.000 0.779 539 K HN 0.220 nan 8.250 nan 0.000 0.484 540 R N 0.433 120.948 120.500 0.026 0.000 3.423 540 R HA -0.215 4.123 4.340 -0.003 0.000 0.271 540 R C 0.319 176.717 176.300 0.163 0.000 1.093 540 R CA 0.212 56.405 56.100 0.155 0.000 0.730 540 R CB -2.025 28.276 30.300 0.001 0.000 1.190 540 R HN 0.276 nan 8.270 nan 0.000 0.437 541 Q N 0.061 119.960 119.800 0.166 0.000 2.234 541 Q HA -0.178 4.160 4.340 -0.003 0.000 0.206 541 Q C 2.105 178.221 176.000 0.193 0.000 0.980 541 Q CA 2.009 57.921 55.803 0.182 0.000 0.869 541 Q CB -0.196 28.586 28.738 0.073 0.000 0.912 541 Q HN 0.701 nan 8.270 nan 0.000 0.436 542 H N -0.934 118.118 119.070 -0.029 0.000 2.462 542 H HA -0.052 4.502 4.556 -0.004 0.000 0.292 542 H C 1.846 177.193 175.328 0.031 0.000 1.049 542 H CA 0.942 56.969 56.048 -0.034 0.000 1.334 542 H CB -0.693 29.042 29.762 -0.044 0.000 1.404 542 H HN 0.254 nan 8.280 nan 0.000 0.544 543 L N 1.570 122.749 121.223 -0.073 0.000 2.046 543 L HA -0.107 4.231 4.340 -0.003 0.000 0.208 543 L C 2.176 179.150 176.870 0.173 0.000 1.077 543 L CA 2.026 56.855 54.840 -0.019 0.000 0.747 543 L CB -1.225 40.737 42.059 -0.162 0.000 0.896 543 L HN 0.399 nan 8.230 nan 0.000 0.432 544 N N -1.092 117.708 118.700 0.166 0.000 2.069 544 N HA -0.252 4.486 4.740 -0.003 0.000 0.191 544 N C 1.960 177.589 175.510 0.199 0.000 1.031 544 N CA 1.349 54.584 53.050 0.308 0.000 0.852 544 N CB -0.189 38.485 38.487 0.311 0.000 1.018 544 N HN 0.350 nan 8.380 nan 0.000 0.423 545 L N 1.199 122.489 121.223 0.112 0.000 2.079 545 L HA -0.084 4.254 4.340 -0.003 0.000 0.210 545 L C 1.853 178.702 176.870 -0.035 0.000 1.081 545 L CA 1.383 56.195 54.840 -0.047 0.000 0.752 545 L CB -0.452 41.520 42.059 -0.146 0.000 0.896 545 L HN 0.304 nan 8.230 nan 0.000 0.433 546 L N -1.276 120.002 121.223 0.091 0.000 2.093 546 L HA -0.228 4.110 4.340 -0.003 0.000 0.208 546 L C 2.659 179.716 176.870 0.311 0.000 1.085 546 L CA 1.566 56.505 54.840 0.165 0.000 0.755 546 L CB -0.973 41.204 42.059 0.198 0.000 0.904 546 L HN 0.519 nan 8.230 nan 0.000 0.435 547 H N 0.627 119.830 119.070 0.223 0.000 2.389 547 H HA -0.116 4.439 4.556 -0.003 0.000 0.299 547 H C 2.330 177.581 175.328 -0.128 0.000 1.081 547 H CA 1.410 57.473 56.048 0.025 0.000 1.345 547 H CB 0.261 29.924 29.762 -0.165 0.000 1.393 547 H HN 0.273 nan 8.280 nan 0.000 0.520 548 I N 0.863 121.202 120.570 -0.385 0.000 2.163 548 I HA -0.318 3.849 4.170 -0.003 0.000 0.243 548 I C 2.611 178.553 176.117 -0.291 0.000 1.085 548 I CA 0.907 61.843 61.300 -0.605 0.000 1.347 548 I CB -0.231 37.369 38.000 -0.666 0.000 1.044 548 I HN 0.235 nan 8.210 nan 0.000 0.408 549 L N 0.442 121.578 121.223 -0.146 0.000 2.042 549 L HA -0.250 4.088 4.340 -0.003 0.000 0.210 549 L C 2.871 179.757 176.870 0.027 0.000 1.076 549 L CA 1.452 56.287 54.840 -0.008 0.000 0.749 549 L CB -0.816 41.231 42.059 -0.020 0.000 0.893 549 L HN 0.267 nan 8.230 nan 0.000 0.432 550 A N 0.058 122.890 122.820 0.021 0.000 1.883 550 A HA -0.223 4.095 4.320 -0.003 0.000 0.217 550 A C 2.295 179.857 177.584 -0.036 0.000 1.186 550 A CA 1.704 53.769 52.037 0.047 0.000 0.624 550 A CB -0.823 18.269 19.000 0.153 0.000 0.822 550 A HN 0.360 nan 8.150 nan 0.000 0.444 551 L N -1.945 119.179 121.223 -0.165 0.000 2.012 551 L HA -0.212 4.126 4.340 -0.003 0.000 0.210 551 L C 2.647 179.531 176.870 0.024 0.000 1.073 551 L CA 1.888 56.655 54.840 -0.122 0.000 0.748 551 L CB -0.555 41.361 42.059 -0.237 0.000 0.891 551 L HN 0.625 nan 8.230 nan 0.000 0.431 552 Y N 1.158 121.391 120.300 -0.111 0.000 2.128 552 Y HA -0.319 4.229 4.550 -0.004 0.000 0.284 552 Y C 2.623 178.509 175.900 -0.023 0.000 1.154 552 Y CA 1.816 59.883 58.100 -0.055 0.000 1.149 552 Y CB -0.456 37.972 38.460 -0.052 0.000 0.976 552 Y HN 0.084 nan 8.280 nan 0.000 0.505 553 K N 0.381 120.740 120.400 -0.070 0.000 2.057 553 K HA -0.261 4.057 4.320 -0.003 0.000 0.207 553 K C 2.241 178.791 176.600 -0.083 0.000 1.049 553 K CA 1.859 58.052 56.287 -0.157 0.000 0.931 553 K CB -0.336 32.119 32.500 -0.075 0.000 0.714 553 K HN 0.534 nan 8.250 nan 0.000 0.440 554 E N 1.061 121.243 120.200 -0.029 0.000 2.077 554 E HA -0.183 4.165 4.350 -0.003 0.000 0.193 554 E C 2.076 178.672 176.600 -0.008 0.000 0.989 554 E CA 1.516 57.908 56.400 -0.013 0.000 0.800 554 E CB -0.222 29.476 29.700 -0.003 0.000 0.746 554 E HN 0.580 nan 8.360 nan 0.000 0.452 555 I N -2.007 118.572 120.570 0.015 0.000 2.546 555 I HA -0.114 4.054 4.170 -0.003 0.000 0.255 555 I C 2.302 178.429 176.117 0.016 0.000 1.163 555 I CA 0.767 62.087 61.300 0.033 0.000 1.457 555 I CB -0.378 37.662 38.000 0.067 0.000 1.092 555 I HN -0.004 nan 8.210 nan 0.000 0.434 556 R N 1.429 121.908 120.500 -0.035 0.000 2.066 556 R HA -0.064 4.274 4.340 -0.003 0.000 0.232 556 R C 1.759 178.024 176.300 -0.059 0.000 1.131 556 R CA 1.679 57.731 56.100 -0.080 0.000 0.955 556 R CB -0.141 30.019 30.300 -0.233 0.000 0.851 556 R HN 0.522 nan 8.270 nan 0.000 0.432 557 E N -0.104 120.059 120.200 -0.060 0.000 2.489 557 E HA -0.018 4.330 4.350 -0.003 0.000 0.193 557 E C -0.320 176.266 176.600 -0.023 0.000 1.057 557 E CA -0.027 56.347 56.400 -0.043 0.000 0.866 557 E CB 0.244 29.917 29.700 -0.045 0.000 0.916 557 E HN 0.072 nan 8.360 nan 0.000 0.500 558 N N 0.050 118.741 118.700 -0.015 0.000 2.969 558 N HA 0.053 4.791 4.740 -0.003 0.000 0.230 558 N C -2.353 173.157 175.510 0.000 0.000 1.397 558 N CA -1.480 51.567 53.050 -0.006 0.000 0.762 558 N CB 0.996 39.480 38.487 -0.004 0.000 1.495 558 N HN -0.237 nan 8.380 nan 0.000 0.583 559 P HA -0.149 nan 4.420 nan 0.000 0.220 559 P C 0.471 177.775 177.300 0.006 0.000 1.144 559 P CA 1.204 64.307 63.100 0.006 0.000 0.800 559 P CB 0.568 32.270 31.700 0.004 0.000 0.772 560 Q N -0.674 119.128 119.800 0.004 0.000 2.320 560 Q HA 0.299 4.637 4.340 -0.003 0.000 0.201 560 Q C 0.680 176.684 176.000 0.005 0.000 0.910 560 Q CA -0.214 55.592 55.803 0.005 0.000 0.946 560 Q CB -0.588 28.152 28.738 0.004 0.000 1.062 560 Q HN 0.176 nan 8.270 nan 0.000 0.503 561 A N 0.770 123.593 122.820 0.006 0.000 2.546 561 A HA 0.004 4.322 4.320 -0.003 0.000 0.243 561 A C -0.385 177.202 177.584 0.006 0.000 1.063 561 A CA 0.130 52.171 52.037 0.006 0.000 0.757 561 A CB 0.022 19.026 19.000 0.006 0.000 0.991 561 A HN 0.160 nan 8.150 nan 0.000 0.503 562 D N 1.541 121.945 120.400 0.006 0.000 2.518 562 D HA 0.332 4.969 4.640 -0.003 0.000 0.230 562 D C -0.181 176.122 176.300 0.004 0.000 1.138 562 D CA -0.095 53.909 54.000 0.006 0.000 0.964 562 D CB 0.175 40.980 40.800 0.008 0.000 1.011 562 D HN 0.333 nan 8.370 nan 0.000 0.517 563 R N 1.023 121.523 120.500 0.000 0.000 2.637 563 R HA 0.427 4.765 4.340 -0.003 0.000 0.291 563 R C -0.646 175.644 176.300 -0.018 0.000 0.963 563 R CA -1.048 55.047 56.100 -0.008 0.000 0.901 563 R CB 1.546 31.842 30.300 -0.006 0.000 1.160 563 R HN 0.212 nan 8.270 nan 0.000 0.457 564 V N 2.696 122.587 119.914 -0.038 0.000 2.686 564 V HA 0.323 4.441 4.120 -0.003 0.000 0.295 564 V C -2.066 173.975 176.094 -0.089 0.000 1.055 564 V CA -1.696 60.568 62.300 -0.059 0.000 1.050 564 V CB 0.819 32.606 31.823 -0.060 0.000 0.984 564 V HN 0.548 nan 8.190 nan 0.000 0.482 565 P HA 0.225 nan 4.420 nan 0.000 0.265 565 P C -0.868 176.355 177.300 -0.130 0.000 1.187 565 P CA 0.369 63.430 63.100 -0.065 0.000 0.766 565 P CB 0.249 31.927 31.700 -0.038 0.000 0.820 566 R N 1.334 121.766 120.500 -0.113 0.000 2.725 566 R HA 0.585 4.923 4.340 -0.003 0.000 0.277 566 R C -1.414 174.780 176.300 -0.175 0.000 0.987 566 R CA -1.053 54.909 56.100 -0.230 0.000 0.901 566 R CB 2.115 32.213 30.300 -0.337 0.000 1.207 566 R HN 0.176 nan 8.270 nan 0.000 0.463 567 V N 3.526 123.288 119.914 -0.253 0.000 2.384 567 V HA 0.409 4.527 4.120 -0.003 0.000 0.287 567 V C -0.776 175.070 176.094 -0.413 0.000 1.020 567 V CA -0.573 61.567 62.300 -0.267 0.000 0.850 567 V CB 1.165 32.731 31.823 -0.428 0.000 0.987 567 V HN 0.512 nan 8.190 nan 0.000 0.436 568 F N 5.651 125.486 119.950 -0.191 0.000 2.405 568 F HA 0.612 5.137 4.527 -0.004 0.000 0.355 568 F C -0.026 175.618 175.800 -0.259 0.000 1.121 568 F CA -0.354 57.507 58.000 -0.231 0.000 1.112 568 F CB 1.284 40.193 39.000 -0.152 0.000 1.126 568 F HN 0.235 nan 8.300 nan 0.000 0.481 569 L N 4.566 125.638 121.223 -0.253 0.000 2.322 569 L HA 0.544 4.882 4.340 -0.003 0.000 0.281 569 L C -0.947 175.658 176.870 -0.441 0.000 1.014 569 L CA -0.405 54.300 54.840 -0.225 0.000 0.815 569 L CB 1.269 43.200 42.059 -0.214 0.000 1.247 569 L HN 0.396 nan 8.230 nan 0.000 0.421 570 F N 0.570 120.362 119.950 -0.263 0.000 2.508 570 F HA 0.793 5.317 4.527 -0.004 0.000 0.325 570 F C 0.623 176.158 175.800 -0.442 0.000 1.090 570 F CA -0.705 56.989 58.000 -0.510 0.000 0.945 570 F CB 2.368 40.721 39.000 -1.078 0.000 1.156 570 F HN 0.387 nan 8.300 nan 0.000 0.463 571 G N 1.160 109.787 108.800 -0.288 0.000 2.707 571 G HA2 0.762 4.720 3.960 -0.003 0.000 0.299 571 G HA3 0.762 4.720 3.960 -0.003 0.000 0.299 571 G C -1.882 172.864 174.900 -0.256 0.000 1.442 571 G CA -0.794 44.170 45.100 -0.227 0.000 1.009 571 G HN 0.989 nan 8.290 nan 0.000 0.515 572 A N 2.250 125.233 122.820 0.271 0.000 2.585 572 A HA 0.709 5.027 4.320 -0.003 0.000 0.299 572 A C -1.041 176.788 177.584 0.408 0.000 1.047 572 A CA -0.842 51.372 52.037 0.295 0.000 0.723 572 A CB 1.209 20.334 19.000 0.208 0.000 1.275 572 A HN 0.617 nan 8.150 nan 0.000 0.408 573 K N 0.741 121.308 120.400 0.278 0.000 2.259 573 K HA 0.775 5.093 4.320 -0.003 0.000 0.252 573 K C -0.225 176.539 176.600 0.272 0.000 0.936 573 K CA -0.452 55.992 56.287 0.262 0.000 0.810 573 K CB 2.511 35.029 32.500 0.030 0.000 1.143 573 K HN 1.033 nan 8.250 nan 0.000 0.427 574 A N 1.484 124.499 122.820 0.326 0.000 2.305 574 A HA 0.658 4.976 4.320 -0.003 0.000 0.322 574 A C -0.307 177.432 177.584 0.259 0.000 1.187 574 A CA -0.665 51.475 52.037 0.173 0.000 0.825 574 A CB 0.931 19.933 19.000 0.003 0.000 1.164 574 A HN 0.797 nan 8.150 nan 0.000 0.498 575 A N 3.635 126.595 122.820 0.232 0.000 2.540 575 A HA 0.441 4.759 4.320 -0.003 0.000 0.239 575 A C -1.388 176.204 177.584 0.014 0.000 1.061 575 A CA -0.650 51.508 52.037 0.202 0.000 0.758 575 A CB -0.355 18.751 19.000 0.178 0.000 0.991 575 A HN 0.602 nan 8.150 nan 0.000 0.502 576 P HA -0.107 nan 4.420 nan 0.000 0.218 576 P C 1.236 178.343 177.300 -0.321 0.000 1.148 576 P CA 1.878 64.821 63.100 -0.262 0.000 0.822 576 P CB 0.180 31.725 31.700 -0.258 0.000 0.784 577 G N -2.650 105.980 108.800 -0.283 0.000 3.314 577 G HA2 -0.089 3.869 3.960 -0.003 0.000 0.238 577 G HA3 -0.089 3.869 3.960 -0.003 0.000 0.238 577 G C -0.286 174.221 174.900 -0.656 0.000 1.184 577 G CA 0.027 44.810 45.100 -0.529 0.000 0.806 577 G HN 0.163 nan 8.290 nan 0.000 0.536 578 Y N 1.966 121.926 120.300 -0.567 0.000 2.907 578 Y HA 0.402 4.950 4.550 -0.003 0.000 0.332 578 Y C 0.542 176.228 175.900 -0.356 0.000 1.211 578 Y CA -2.658 55.223 58.100 -0.364 0.000 1.387 578 Y CB -0.450 37.880 38.460 -0.216 0.000 1.396 578 Y HN 0.243 nan 8.280 nan 0.000 0.519 579 Y N 1.823 122.232 120.300 0.180 0.000 2.207 579 Y HA -0.271 4.277 4.550 -0.004 0.000 0.287 579 Y C 2.163 178.069 175.900 0.010 0.000 1.156 579 Y CA 1.432 59.566 58.100 0.056 0.000 1.182 579 Y CB -0.640 37.847 38.460 0.045 0.000 0.979 579 Y HN 0.475 nan 8.280 nan 0.000 0.521 580 L N 0.560 121.897 121.223 0.190 0.000 2.012 580 L HA -0.150 4.188 4.340 -0.003 0.000 0.210 580 L C 2.327 179.052 176.870 -0.241 0.000 1.073 580 L CA 2.033 56.898 54.840 0.042 0.000 0.748 580 L CB -1.376 40.774 42.059 0.152 0.000 0.891 580 L HN 0.146 nan 8.230 nan 0.000 0.431 581 A N -0.624 121.776 122.820 -0.699 0.000 1.933 581 A HA -0.242 4.076 4.320 -0.003 0.000 0.218 581 A C 2.330 179.708 177.584 -0.343 0.000 1.175 581 A CA 1.997 53.568 52.037 -0.776 0.000 0.628 581 A CB -0.512 17.684 19.000 -1.340 0.000 0.814 581 A HN 0.548 nan 8.150 nan 0.000 0.444 582 K N -0.359 119.910 120.400 -0.218 0.000 2.057 582 K HA -0.131 4.187 4.320 -0.003 0.000 0.206 582 K C 2.060 178.662 176.600 0.004 0.000 1.050 582 K CA 1.235 57.479 56.287 -0.072 0.000 0.935 582 K CB -0.274 32.206 32.500 -0.034 0.000 0.715 582 K HN 0.613 nan 8.250 nan 0.000 0.439 583 N N 1.122 119.841 118.700 0.032 0.000 2.149 583 N HA -0.177 4.560 4.740 -0.003 0.000 0.188 583 N C 1.802 177.386 175.510 0.124 0.000 1.019 583 N CA 1.061 54.202 53.050 0.150 0.000 0.857 583 N CB 0.013 38.591 38.487 0.151 0.000 0.997 583 N HN 0.125 nan 8.380 nan 0.000 0.426 584 I N 1.026 121.569 120.570 -0.045 0.000 2.179 584 I HA -0.260 3.908 4.170 -0.003 0.000 0.242 584 I C 2.218 178.272 176.117 -0.106 0.000 1.088 584 I CA 0.859 62.083 61.300 -0.127 0.000 1.357 584 I CB -0.181 37.669 38.000 -0.250 0.000 1.051 584 I HN 0.155 nan 8.210 nan 0.000 0.409 585 I N 0.008 120.548 120.570 -0.050 0.000 2.208 585 I HA -0.348 3.820 4.170 -0.003 0.000 0.245 585 I C 2.504 178.556 176.117 -0.108 0.000 1.097 585 I CA 1.470 62.745 61.300 -0.041 0.000 1.363 585 I CB -0.386 37.565 38.000 -0.081 0.000 1.051 585 I HN 0.183 nan 8.210 nan 0.000 0.413 586 F N 1.876 121.727 119.950 -0.166 0.000 2.069 586 F HA -0.280 4.244 4.527 -0.004 0.000 0.298 586 F C 2.485 178.237 175.800 -0.081 0.000 1.113 586 F CA 1.438 59.388 58.000 -0.085 0.000 1.214 586 F CB -0.790 38.251 39.000 0.069 0.000 0.978 586 F HN 0.034 nan 8.300 nan 0.000 0.474 587 A N 0.826 123.477 122.820 -0.283 0.000 1.883 587 A HA -0.196 4.122 4.320 -0.003 0.000 0.217 587 A C 2.395 179.590 177.584 -0.648 0.000 1.186 587 A CA 2.167 53.657 52.037 -0.912 0.000 0.624 587 A CB -1.336 17.066 19.000 -0.996 0.000 0.822 587 A HN 0.495 nan 8.150 nan 0.000 0.444 588 I N -0.026 120.272 120.570 -0.453 0.000 2.118 588 I HA -0.332 3.836 4.170 -0.003 0.000 0.241 588 I C 2.286 178.204 176.117 -0.333 0.000 1.070 588 I CA 1.596 62.640 61.300 -0.427 0.000 1.327 588 I CB -0.591 37.123 38.000 -0.477 0.000 1.034 588 I HN 0.329 nan 8.210 nan 0.000 0.405 589 N N 0.813 119.339 118.700 -0.290 0.000 2.120 589 N HA -0.151 4.587 4.740 -0.003 0.000 0.188 589 N C 1.797 177.176 175.510 -0.219 0.000 1.024 589 N CA 1.157 54.052 53.050 -0.259 0.000 0.852 589 N CB -0.218 38.049 38.487 -0.366 0.000 1.003 589 N HN 0.249 nan 8.380 nan 0.000 0.424 590 K N 0.714 120.945 120.400 -0.281 0.000 2.097 590 K HA 0.021 4.339 4.320 -0.003 0.000 0.206 590 K C 2.090 178.595 176.600 -0.158 0.000 1.049 590 K CA 0.382 56.552 56.287 -0.196 0.000 0.933 590 K CB -0.785 31.591 32.500 -0.205 0.000 0.717 590 K HN 0.045 nan 8.250 nan 0.000 0.442 591 V N 1.544 121.236 119.914 -0.371 0.000 2.427 591 V HA -0.197 3.921 4.120 -0.003 0.000 0.248 591 V C 2.419 178.343 176.094 -0.285 0.000 1.051 591 V CA 1.725 63.712 62.300 -0.521 0.000 1.048 591 V CB -0.693 30.673 31.823 -0.761 0.000 0.666 591 V HN 0.265 nan 8.190 nan 0.000 0.456 592 A N -0.024 122.657 122.820 -0.233 0.000 1.883 592 A HA -0.294 4.024 4.320 -0.003 0.000 0.217 592 A C 2.007 179.528 177.584 -0.104 0.000 1.186 592 A CA 2.196 54.142 52.037 -0.152 0.000 0.624 592 A CB -0.755 18.188 19.000 -0.094 0.000 0.822 592 A HN 0.520 nan 8.150 nan 0.000 0.444 593 D N -0.486 119.871 120.400 -0.070 0.000 2.158 593 D HA -0.116 4.522 4.640 -0.003 0.000 0.197 593 D C 2.035 178.330 176.300 -0.008 0.000 0.995 593 D CA 1.468 55.452 54.000 -0.026 0.000 0.846 593 D CB -0.326 40.471 40.800 -0.004 0.000 0.941 593 D HN 0.235 nan 8.370 nan 0.000 0.456 594 V N 0.799 120.728 119.914 0.025 0.000 2.283 594 V HA -0.156 3.962 4.120 -0.003 0.000 0.243 594 V C 2.544 178.604 176.094 -0.056 0.000 1.039 594 V CA 0.871 63.211 62.300 0.068 0.000 1.016 594 V CB -0.264 31.725 31.823 0.277 0.000 0.650 594 V HN 0.165 nan 8.190 nan 0.000 0.449 595 I N 0.871 121.302 120.570 -0.231 0.000 2.194 595 I HA -0.273 3.895 4.170 -0.003 0.000 0.246 595 I C 2.214 178.201 176.117 -0.217 0.000 1.093 595 I CA 1.597 62.622 61.300 -0.458 0.000 1.355 595 I CB -0.507 37.163 38.000 -0.550 0.000 1.046 595 I HN 0.376 nan 8.210 nan 0.000 0.413 596 N N 0.849 119.472 118.700 -0.128 0.000 2.453 596 N HA -0.108 4.630 4.740 -0.003 0.000 0.183 596 N C 0.963 176.450 175.510 -0.038 0.000 1.041 596 N CA 0.920 53.929 53.050 -0.068 0.000 0.900 596 N CB -0.290 38.172 38.487 -0.042 0.000 0.961 596 N HN 0.442 nan 8.380 nan 0.000 0.443 597 N N 0.192 118.875 118.700 -0.030 0.000 2.177 597 N HA -0.022 4.716 4.740 -0.003 0.000 0.218 597 N C -0.702 174.814 175.510 0.012 0.000 1.182 597 N CA -0.082 52.966 53.050 -0.004 0.000 0.882 597 N CB 0.809 39.300 38.487 0.005 0.000 1.052 597 N HN 0.086 nan 8.380 nan 0.000 0.519 598 D N 2.396 122.803 120.400 0.012 0.000 2.339 598 D HA 0.127 4.765 4.640 -0.003 0.000 0.241 598 D C -1.350 174.979 176.300 0.048 0.000 1.183 598 D CA -1.913 52.120 54.000 0.056 0.000 0.859 598 D CB 1.703 42.574 40.800 0.119 0.000 1.067 598 D HN 0.051 nan 8.370 nan 0.000 0.484 599 P HA -0.146 nan 4.420 nan 0.000 0.225 599 P C 1.430 178.753 177.300 0.038 0.000 1.148 599 P CA 0.221 63.340 63.100 0.032 0.000 0.779 599 P CB 0.491 32.206 31.700 0.026 0.000 0.780 600 L N -0.916 120.340 121.223 0.056 0.000 2.313 600 L HA -0.004 4.334 4.340 -0.003 0.000 0.214 600 L C 2.204 179.114 176.870 0.068 0.000 1.119 600 L CA 1.224 56.099 54.840 0.058 0.000 0.809 600 L CB -0.704 41.395 42.059 0.067 0.000 0.933 600 L HN -0.231 nan 8.230 nan 0.000 0.449 601 V N -0.829 119.132 119.914 0.078 0.000 2.374 601 V HA 0.275 4.393 4.120 -0.003 0.000 0.241 601 V C 1.938 178.052 176.094 0.034 0.000 1.034 601 V CA 0.894 63.236 62.300 0.069 0.000 1.037 601 V CB -0.937 30.918 31.823 0.053 0.000 0.682 601 V HN 0.603 nan 8.190 nan 0.000 0.463 602 G N 0.713 109.526 108.800 0.022 0.000 2.634 602 G HA2 -0.389 3.569 3.960 -0.003 0.000 0.309 602 G HA3 -0.389 3.569 3.960 -0.003 0.000 0.309 602 G C 0.438 175.343 174.900 0.008 0.000 1.265 602 G CA 0.667 45.775 45.100 0.014 0.000 0.998 602 G HN 0.396 nan 8.290 nan 0.000 0.551 603 D N 0.944 121.350 120.400 0.011 0.000 2.336 603 D HA 0.143 4.781 4.640 -0.003 0.000 0.229 603 D C 2.241 178.545 176.300 0.007 0.000 1.061 603 D CA 0.394 54.399 54.000 0.009 0.000 0.875 603 D CB 0.088 40.896 40.800 0.014 0.000 0.904 603 D HN 0.516 nan 8.370 nan 0.000 0.525 604 K N -0.388 120.018 120.400 0.010 0.000 2.217 604 K HA 0.081 4.399 4.320 -0.003 0.000 0.202 604 K C 0.585 177.191 176.600 0.010 0.000 1.051 604 K CA 0.568 56.861 56.287 0.010 0.000 0.952 604 K CB 1.116 33.630 32.500 0.023 0.000 0.736 604 K HN 0.072 nan 8.250 nan 0.000 0.453 605 L N 0.866 122.093 121.223 0.007 0.000 2.588 605 L HA 0.293 4.631 4.340 -0.003 0.000 0.263 605 L C -1.746 175.117 176.870 -0.011 0.000 0.935 605 L CA -0.556 54.294 54.840 0.016 0.000 0.891 605 L CB 1.801 43.863 42.059 0.006 0.000 1.318 605 L HN -0.108 nan 8.230 nan 0.000 0.409 606 K N 3.424 123.830 120.400 0.011 0.000 2.477 606 K HA 0.678 4.996 4.320 -0.003 0.000 0.255 606 K C -1.424 175.199 176.600 0.039 0.000 0.952 606 K CA -0.702 55.578 56.287 -0.012 0.000 0.826 606 K CB 3.162 35.642 32.500 -0.034 0.000 1.331 606 K HN 0.297 nan 8.250 nan 0.000 0.437 607 V N 1.959 121.884 119.914 0.019 0.000 2.443 607 V HA 0.350 4.468 4.120 -0.003 0.000 0.293 607 V C -0.679 175.460 176.094 0.076 0.000 1.021 607 V CA -0.921 61.427 62.300 0.081 0.000 0.848 607 V CB 1.811 33.651 31.823 0.027 0.000 0.998 607 V HN 0.430 nan 8.190 nan 0.000 0.424 608 V N 5.506 125.484 119.914 0.107 0.000 2.444 608 V HA 0.479 4.597 4.120 -0.003 0.000 0.294 608 V C -0.860 175.377 176.094 0.238 0.000 1.022 608 V CA -0.527 61.845 62.300 0.121 0.000 0.850 608 V CB 1.853 33.698 31.823 0.037 0.000 0.992 608 V HN 0.683 nan 8.190 nan 0.000 0.426 609 F N 6.078 126.117 119.950 0.147 0.000 2.325 609 F HA 0.549 5.074 4.527 -0.003 0.000 0.369 609 F C -0.345 175.640 175.800 0.308 0.000 1.095 609 F CA -1.457 56.678 58.000 0.225 0.000 1.082 609 F CB 1.025 40.058 39.000 0.056 0.000 1.289 609 F HN 0.213 nan 8.300 nan 0.000 0.462 610 L N 8.260 129.833 121.223 0.583 0.000 2.418 610 L HA 0.267 4.605 4.340 -0.003 0.000 0.274 610 L C -1.991 175.148 176.870 0.449 0.000 1.135 610 L CA -1.816 53.269 54.840 0.410 0.000 0.870 610 L CB 0.248 42.508 42.059 0.336 0.000 1.154 610 L HN 0.392 nan 8.230 nan 0.000 0.462 611 P HA 0.106 nan 4.420 nan 0.000 0.275 611 P C -0.148 177.111 177.300 -0.068 0.000 1.227 611 P CA -0.149 62.808 63.100 -0.237 0.000 0.781 611 P CB 0.793 32.178 31.700 -0.525 0.000 0.906 612 D N 0.026 120.370 120.400 -0.093 0.000 2.809 612 D HA -0.231 4.407 4.640 -0.003 0.000 0.234 612 D C -0.679 175.667 176.300 0.077 0.000 1.111 612 D CA 0.429 54.407 54.000 -0.036 0.000 0.726 612 D CB -2.143 38.619 40.800 -0.064 0.000 1.089 612 D HN 0.363 nan 8.370 nan 0.000 0.436 613 Y N 0.757 121.093 120.300 0.061 0.000 2.895 613 Y HA 0.163 4.711 4.550 -0.004 0.000 0.334 613 Y C 0.882 176.803 175.900 0.034 0.000 1.261 613 Y CA 0.374 58.532 58.100 0.096 0.000 1.560 613 Y CB -0.018 38.522 38.460 0.133 0.000 1.253 613 Y HN 0.420 nan 8.280 nan 0.000 0.582 614 C N 3.196 122.202 119.300 -0.490 0.000 3.336 614 C HA 0.514 4.972 4.460 -0.003 0.000 0.339 614 C C 1.073 175.815 174.990 -0.413 0.000 1.468 614 C CA -0.438 58.336 59.018 -0.407 0.000 1.287 614 C CB 0.679 28.310 27.740 -0.182 0.000 1.682 614 C HN 0.636 nan 8.230 nan 0.000 0.451 615 V N 1.520 121.308 119.914 -0.210 0.000 2.287 615 V HA -0.168 3.950 4.120 -0.003 0.000 0.248 615 V C 2.679 178.738 176.094 -0.057 0.000 1.053 615 V CA 3.021 65.288 62.300 -0.054 0.000 1.027 615 V CB -1.004 30.800 31.823 -0.030 0.000 0.646 615 V HN 0.965 nan 8.190 nan 0.000 0.447 616 S N -0.032 115.613 115.700 -0.091 0.000 2.368 616 S HA -0.175 4.293 4.470 -0.003 0.000 0.225 616 S C 2.212 176.748 174.600 -0.106 0.000 1.030 616 S CA 1.425 59.572 58.200 -0.089 0.000 0.999 616 S CB -0.491 62.676 63.200 -0.056 0.000 0.844 616 S HN 0.666 nan 8.310 nan 0.000 0.459 617 A N 1.615 124.407 122.820 -0.046 0.000 1.902 617 A HA 0.092 4.410 4.320 -0.003 0.000 0.217 617 A C 2.376 180.005 177.584 0.076 0.000 1.181 617 A CA 1.726 53.778 52.037 0.024 0.000 0.623 617 A CB -1.155 18.000 19.000 0.258 0.000 0.818 617 A HN 0.517 nan 8.150 nan 0.000 0.443 618 A N -0.093 122.796 122.820 0.116 0.000 1.908 618 A HA -0.214 4.104 4.320 -0.003 0.000 0.218 618 A C 1.876 179.640 177.584 0.299 0.000 1.181 618 A CA 1.735 53.948 52.037 0.293 0.000 0.627 618 A CB -0.601 18.582 19.000 0.307 0.000 0.818 618 A HN 0.655 nan 8.150 nan 0.000 0.445 619 E N -0.431 119.894 120.200 0.208 0.000 2.204 619 E HA -0.162 4.186 4.350 -0.003 0.000 0.195 619 E C 1.742 178.350 176.600 0.014 0.000 0.990 619 E CA 1.028 57.497 56.400 0.115 0.000 0.821 619 E CB -0.017 29.633 29.700 -0.083 0.000 0.750 619 E HN 0.474 nan 8.360 nan 0.000 0.477 620 K N 0.190 120.533 120.400 -0.095 0.000 2.166 620 K HA 0.028 4.346 4.320 -0.003 0.000 0.201 620 K C 2.175 178.768 176.600 -0.011 0.000 1.052 620 K CA 0.371 56.565 56.287 -0.155 0.000 0.969 620 K CB 0.034 32.228 32.500 -0.510 0.000 0.761 620 K HN 0.149 nan 8.250 nan 0.000 0.459 621 L N 0.843 122.099 121.223 0.055 0.000 2.044 621 L HA -0.060 4.277 4.340 -0.003 0.000 0.205 621 L C 2.409 179.345 176.870 0.110 0.000 1.075 621 L CA 0.891 55.800 54.840 0.114 0.000 0.747 621 L CB -0.397 41.754 42.059 0.152 0.000 0.903 621 L HN 0.009 nan 8.230 nan 0.000 0.435 622 I N -0.066 120.576 120.570 0.119 0.000 2.151 622 I HA -0.242 3.926 4.170 -0.003 0.000 0.243 622 I C -0.451 175.715 176.117 0.082 0.000 1.080 622 I CA 1.550 62.908 61.300 0.097 0.000 1.339 622 I CB -1.395 36.671 38.000 0.110 0.000 1.039 622 I HN 0.212 nan 8.210 nan 0.000 0.409 623 P HA -0.115 nan 4.420 nan 0.000 0.222 623 P C 0.937 178.253 177.300 0.027 0.000 1.147 623 P CA 1.313 64.435 63.100 0.037 0.000 0.790 623 P CB 0.027 31.740 31.700 0.021 0.000 0.780 624 A N -1.144 121.720 122.820 0.072 0.000 2.275 624 A HA 0.470 4.788 4.320 -0.003 0.000 0.212 624 A C 1.146 178.809 177.584 0.132 0.000 1.201 624 A CA 0.061 52.155 52.037 0.096 0.000 0.843 624 A CB -0.689 18.439 19.000 0.213 0.000 0.873 624 A HN 0.188 nan 8.150 nan 0.000 0.492 625 A N 0.073 122.964 122.820 0.119 0.000 2.401 625 A HA 0.447 4.765 4.320 -0.003 0.000 0.259 625 A C 0.389 178.066 177.584 0.154 0.000 1.103 625 A CA -0.128 51.989 52.037 0.133 0.000 0.789 625 A CB 0.291 19.340 19.000 0.083 0.000 1.035 625 A HN 0.295 nan 8.150 nan 0.000 0.491 626 D N 0.680 121.186 120.400 0.177 0.000 2.338 626 D HA 0.117 4.755 4.640 -0.003 0.000 0.224 626 D C 0.167 176.681 176.300 0.357 0.000 0.967 626 D CA 1.007 55.197 54.000 0.317 0.000 0.896 626 D CB 0.247 41.154 40.800 0.178 0.000 1.028 626 D HN 0.367 nan 8.370 nan 0.000 0.493 627 I N 1.068 121.736 120.570 0.164 0.000 2.406 627 I HA 0.134 4.302 4.170 -0.003 0.000 0.290 627 I C -0.034 176.111 176.117 0.047 0.000 0.999 627 I CA -0.480 60.889 61.300 0.116 0.000 1.124 627 I CB 1.706 39.714 38.000 0.014 0.000 1.289 627 I HN -0.237 nan 8.210 nan 0.000 0.441 628 S N 6.489 122.224 115.700 0.059 0.000 2.404 628 S HA 0.255 4.723 4.470 -0.003 0.000 0.309 628 S C -0.057 174.564 174.600 0.034 0.000 1.076 628 S CA -0.582 57.630 58.200 0.019 0.000 1.095 628 S CB 0.158 63.364 63.200 0.009 0.000 0.972 628 S HN 0.384 nan 8.310 nan 0.000 0.484 629 E N 4.133 124.338 120.200 0.007 0.000 2.166 629 E HA 0.150 4.498 4.350 -0.003 0.000 0.279 629 E C -0.381 176.230 176.600 0.019 0.000 1.095 629 E CA -0.109 56.316 56.400 0.042 0.000 0.888 629 E CB 0.679 30.381 29.700 0.004 0.000 1.041 629 E HN 0.612 nan 8.360 nan 0.000 0.414 630 Q N 2.823 122.657 119.800 0.058 0.000 3.244 630 Q HA 0.258 4.596 4.340 -0.003 0.000 0.249 630 Q C 0.547 176.565 176.000 0.030 0.000 0.951 630 Q CA -0.124 55.688 55.803 0.016 0.000 0.740 630 Q CB 0.288 29.021 28.738 -0.008 0.000 1.334 630 Q HN 0.600 nan 8.270 nan 0.000 0.448 631 I N -1.717 118.866 120.570 0.023 0.000 3.654 631 I HA 0.268 4.436 4.170 -0.003 0.000 0.337 631 I C 0.455 176.562 176.117 -0.016 0.000 1.568 631 I CA -0.678 60.640 61.300 0.030 0.000 1.115 631 I CB 0.521 38.534 38.000 0.022 0.000 1.300 631 I HN 0.019 nan 8.210 nan 0.000 0.471 632 S N 0.381 116.079 115.700 -0.002 0.000 2.566 632 S HA 0.139 4.607 4.470 -0.003 0.000 0.280 632 S C 0.593 175.215 174.600 0.037 0.000 1.343 632 S CA -0.243 57.996 58.200 0.066 0.000 1.036 632 S CB 0.151 63.441 63.200 0.150 0.000 0.866 632 S HN 0.394 nan 8.310 nan 0.000 0.526 633 T N 2.799 117.419 114.554 0.110 0.000 2.908 633 T HA 0.363 4.711 4.350 -0.003 0.000 0.301 633 T C 0.746 175.458 174.700 0.020 0.000 1.019 633 T CA 0.299 62.446 62.100 0.078 0.000 1.152 633 T CB -0.052 68.941 68.868 0.208 0.000 0.966 633 T HN 1.001 nan 8.240 nan 0.000 0.540 634 A N 2.738 125.535 122.820 -0.038 0.000 2.546 634 A HA 0.481 4.799 4.320 -0.003 0.000 0.243 634 A C 1.618 179.177 177.584 -0.041 0.000 1.063 634 A CA 0.259 52.264 52.037 -0.053 0.000 0.757 634 A CB -0.775 18.186 19.000 -0.065 0.000 0.991 634 A HN 1.634 nan 8.150 nan 0.000 0.503 635 G N 1.932 110.704 108.800 -0.046 0.000 2.195 635 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.224 635 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.224 635 G C 0.855 175.705 174.900 -0.084 0.000 0.990 635 G CA 0.515 45.584 45.100 -0.052 0.000 0.639 635 G HN 0.665 nan 8.290 nan 0.000 0.514 636 K N 0.021 120.354 120.400 -0.112 0.000 2.350 636 K HA 0.199 4.517 4.320 -0.003 0.000 0.196 636 K C 0.671 176.965 176.600 -0.510 0.000 1.084 636 K CA 0.346 56.450 56.287 -0.305 0.000 0.967 636 K CB 0.479 32.838 32.500 -0.234 0.000 0.950 636 K HN 0.363 nan 8.250 nan 0.000 0.512 637 E N 1.580 121.662 120.200 -0.195 0.000 2.001 637 E HA 0.275 4.623 4.350 -0.003 0.000 0.279 637 E C 0.615 177.133 176.600 -0.136 0.000 1.045 637 E CA -0.151 56.206 56.400 -0.071 0.000 0.833 637 E CB 1.026 30.785 29.700 0.097 0.000 1.077 637 E HN 0.174 nan 8.360 nan 0.000 0.397 638 A N 3.370 126.037 122.820 -0.255 0.000 1.892 638 A HA -0.205 4.113 4.320 -0.003 0.000 0.218 638 A C 1.997 179.458 177.584 -0.205 0.000 1.188 638 A CA 2.208 53.984 52.037 -0.435 0.000 0.631 638 A CB -0.246 18.196 19.000 -0.929 0.000 0.822 638 A HN 0.595 nan 8.150 nan 0.000 0.447 639 S N -3.811 111.817 115.700 -0.121 0.000 3.624 639 S HA 0.453 4.921 4.470 -0.003 0.000 0.244 639 S C 0.742 175.323 174.600 -0.031 0.000 1.115 639 S CA 1.454 59.633 58.200 -0.036 0.000 0.820 639 S CB -0.119 63.082 63.200 0.001 0.000 0.964 639 S HN 2.241 nan 8.310 nan 0.000 0.508 640 G N 0.346 109.132 108.800 -0.025 0.000 2.716 640 G HA2 -0.090 3.868 3.960 -0.003 0.000 0.686 640 G HA3 -0.090 3.868 3.960 -0.003 0.000 0.686 640 G C 0.250 175.116 174.900 -0.056 0.000 1.337 640 G CA 0.440 45.519 45.100 -0.035 0.000 0.829 640 G HN 1.250 nan 8.290 nan 0.000 0.599 641 T N -1.938 112.567 114.554 -0.082 0.000 3.010 641 T HA 0.378 4.726 4.350 -0.003 0.000 0.253 641 T C 2.364 176.946 174.700 -0.197 0.000 0.939 641 T CA 1.201 63.230 62.100 -0.119 0.000 0.910 641 T CB 0.325 69.127 68.868 -0.109 0.000 1.226 641 T HN 1.856 nan 8.240 nan 0.000 0.508 642 G N 3.301 111.992 108.800 -0.182 0.000 2.422 642 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.218 642 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.218 642 G C 1.549 176.340 174.900 -0.181 0.000 1.146 642 G CA 1.279 46.253 45.100 -0.209 0.000 0.769 642 G HN 0.678 nan 8.290 nan 0.000 0.547 643 N N 1.063 119.669 118.700 -0.157 0.000 2.094 643 N HA -0.190 4.548 4.740 -0.003 0.000 0.191 643 N C 1.986 177.366 175.510 -0.217 0.000 1.023 643 N CA 2.002 54.952 53.050 -0.166 0.000 0.857 643 N CB -0.678 37.709 38.487 -0.166 0.000 1.013 643 N HN 0.420 nan 8.380 nan 0.000 0.426 644 M N 0.182 119.628 119.600 -0.258 0.000 2.123 644 M HA 0.024 4.502 4.480 -0.003 0.000 0.263 644 M C 2.055 178.268 176.300 -0.146 0.000 1.069 644 M CA 1.418 56.557 55.300 -0.268 0.000 1.133 644 M CB -0.178 32.298 32.600 -0.206 0.000 1.356 644 M HN 0.072 nan 8.290 nan 0.000 0.415 645 K N 0.640 120.926 120.400 -0.190 0.000 2.063 645 K HA -0.137 4.181 4.320 -0.003 0.000 0.208 645 K C 1.854 178.406 176.600 -0.079 0.000 1.048 645 K CA 1.291 57.475 56.287 -0.171 0.000 0.928 645 K CB -0.436 31.812 32.500 -0.419 0.000 0.713 645 K HN 0.264 nan 8.250 nan 0.000 0.442 646 L N 0.462 121.627 121.223 -0.096 0.000 2.056 646 L HA -0.160 4.178 4.340 -0.003 0.000 0.207 646 L C 2.602 179.463 176.870 -0.015 0.000 1.078 646 L CA 1.174 55.988 54.840 -0.042 0.000 0.749 646 L CB -0.514 41.517 42.059 -0.047 0.000 0.901 646 L HN 0.217 nan 8.230 nan 0.000 0.433 647 A N -0.005 122.789 122.820 -0.044 0.000 1.877 647 A HA -0.169 4.149 4.320 -0.003 0.000 0.216 647 A C 2.253 179.852 177.584 0.025 0.000 1.186 647 A CA 1.444 53.467 52.037 -0.023 0.000 0.620 647 A CB -0.788 18.168 19.000 -0.073 0.000 0.822 647 A HN 0.336 nan 8.150 nan 0.000 0.443 648 L N -0.034 121.209 121.223 0.032 0.000 2.079 648 L HA -0.190 4.148 4.340 -0.003 0.000 0.210 648 L C 1.720 178.631 176.870 0.068 0.000 1.081 648 L CA 1.160 56.042 54.840 0.070 0.000 0.752 648 L CB -0.461 41.655 42.059 0.095 0.000 0.896 648 L HN 0.426 nan 8.230 nan 0.000 0.433 649 N N -0.098 118.634 118.700 0.053 0.000 2.461 649 N HA -0.002 4.736 4.740 -0.003 0.000 0.188 649 N C 1.161 176.689 175.510 0.030 0.000 1.134 649 N CA 0.990 54.058 53.050 0.030 0.000 0.878 649 N CB 0.731 39.240 38.487 0.037 0.000 0.972 649 N HN 0.479 nan 8.380 nan 0.000 0.456 650 G N -0.187 108.677 108.800 0.107 0.000 2.154 650 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.186 650 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.186 650 G C 0.054 175.054 174.900 0.167 0.000 1.000 650 G CA 0.008 45.226 45.100 0.196 0.000 0.664 650 G HN 0.527 nan 8.290 nan 0.000 0.513 651 A N -0.016 122.869 122.820 0.109 0.000 2.293 651 A HA 0.870 5.188 4.320 -0.003 0.000 0.302 651 A C 0.293 177.903 177.584 0.043 0.000 1.119 651 A CA -0.432 51.679 52.037 0.123 0.000 0.823 651 A CB 0.770 19.829 19.000 0.099 0.000 1.097 651 A HN 0.750 nan 8.150 nan 0.000 0.491 652 L N 0.969 122.212 121.223 0.034 0.000 2.322 652 L HA 0.403 4.741 4.340 -0.003 0.000 0.279 652 L C 0.169 177.110 176.870 0.120 0.000 1.036 652 L CA -0.478 54.352 54.840 -0.016 0.000 0.807 652 L CB 1.748 43.717 42.059 -0.150 0.000 1.226 652 L HN 0.665 nan 8.230 nan 0.000 0.433 653 T N 2.080 116.702 114.554 0.114 0.000 2.771 653 T HA 0.309 4.657 4.350 -0.003 0.000 0.291 653 T C -0.070 174.789 174.700 0.265 0.000 0.954 653 T CA -0.327 61.852 62.100 0.132 0.000 1.045 653 T CB 1.326 70.225 68.868 0.052 0.000 0.917 653 T HN 0.191 nan 8.240 nan 0.000 0.484 654 V N 3.772 123.831 119.914 0.242 0.000 2.333 654 V HA 0.736 4.854 4.120 -0.003 0.000 0.274 654 V C 0.658 176.990 176.094 0.398 0.000 1.028 654 V CA -0.272 62.224 62.300 0.327 0.000 0.851 654 V CB 0.899 32.832 31.823 0.184 0.000 1.000 654 V HN 1.061 nan 8.190 nan 0.000 0.456 655 G N 2.783 111.834 108.800 0.419 0.000 2.704 655 G HA2 0.655 4.613 3.960 -0.003 0.000 0.293 655 G HA3 0.655 4.613 3.960 -0.003 0.000 0.293 655 G C -0.446 174.305 174.900 -0.248 0.000 1.421 655 G CA -0.269 44.927 45.100 0.159 0.000 0.870 655 G HN 0.638 nan 8.290 nan 0.000 0.492 656 T N -1.237 113.046 114.554 -0.451 0.000 2.849 656 T HA 0.501 4.849 4.350 -0.003 0.000 0.284 656 T C 0.560 175.104 174.700 -0.259 0.000 1.004 656 T CA -0.656 61.112 62.100 -0.553 0.000 1.021 656 T CB 1.217 69.790 68.868 -0.491 0.000 1.013 656 T HN 0.334 nan 8.240 nan 0.000 0.527 657 L N 2.038 123.134 121.223 -0.212 0.000 2.384 657 L HA 0.340 4.678 4.340 -0.003 0.000 0.258 657 L C -0.129 176.686 176.870 -0.092 0.000 1.266 657 L CA 0.007 54.777 54.840 -0.117 0.000 1.162 657 L CB -0.684 41.322 42.059 -0.089 0.000 1.375 657 L HN 0.736 nan 8.230 nan 0.000 0.420 658 D N 0.695 121.046 120.400 -0.083 0.000 2.732 658 D HA 0.587 5.225 4.640 -0.003 0.000 0.229 658 D C 0.483 176.759 176.300 -0.039 0.000 1.152 658 D CA 0.742 54.707 54.000 -0.058 0.000 0.854 658 D CB 2.165 42.926 40.800 -0.064 0.000 1.590 658 D HN 0.373 nan 8.370 nan 0.000 0.468 659 G N 1.676 110.463 108.800 -0.021 0.000 2.614 659 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.303 659 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.303 659 G C 0.999 175.900 174.900 0.003 0.000 1.270 659 G CA 1.010 46.104 45.100 -0.011 0.000 0.988 659 G HN 1.118 nan 8.290 nan 0.000 0.551 660 A N -0.153 122.662 122.820 -0.008 0.000 2.235 660 A HA 0.139 4.457 4.320 -0.003 0.000 0.208 660 A C 2.057 179.602 177.584 -0.064 0.000 1.172 660 A CA 1.708 53.745 52.037 0.000 0.000 0.786 660 A CB -0.429 18.567 19.000 -0.006 0.000 0.804 660 A HN 0.600 nan 8.150 nan 0.000 0.479 661 N N 0.288 118.945 118.700 -0.072 0.000 2.205 661 N HA -0.158 4.580 4.740 -0.003 0.000 0.186 661 N C 1.778 177.265 175.510 -0.040 0.000 1.015 661 N CA 1.586 54.589 53.050 -0.078 0.000 0.862 661 N CB -0.580 37.864 38.487 -0.071 0.000 0.986 661 N HN 0.492 nan 8.380 nan 0.000 0.429 662 V N 0.298 120.205 119.914 -0.012 0.000 2.453 662 V HA -0.100 4.018 4.120 -0.003 0.000 0.247 662 V C 1.693 177.815 176.094 0.048 0.000 1.048 662 V CA 1.502 63.806 62.300 0.006 0.000 1.049 662 V CB -0.285 31.538 31.823 -0.000 0.000 0.672 662 V HN 0.158 nan 8.190 nan 0.000 0.457 663 E N 0.410 120.670 120.200 0.099 0.000 2.072 663 E HA -0.116 4.232 4.350 -0.003 0.000 0.191 663 E C 2.152 178.930 176.600 0.296 0.000 0.985 663 E CA 1.810 58.337 56.400 0.210 0.000 0.801 663 E CB -0.276 29.613 29.700 0.316 0.000 0.750 663 E HN 0.681 nan 8.360 nan 0.000 0.452 664 I N 1.265 121.932 120.570 0.161 0.000 2.179 664 I HA -0.293 3.875 4.170 -0.003 0.000 0.242 664 I C 2.543 178.699 176.117 0.065 0.000 1.088 664 I CA 1.079 62.413 61.300 0.057 0.000 1.357 664 I CB -0.312 37.547 38.000 -0.235 0.000 1.051 664 I HN 0.096 nan 8.210 nan 0.000 0.409 665 A N 1.296 124.128 122.820 0.020 0.000 1.902 665 A HA -0.250 4.068 4.320 -0.003 0.000 0.217 665 A C 2.180 179.771 177.584 0.012 0.000 1.181 665 A CA 2.011 54.047 52.037 -0.001 0.000 0.623 665 A CB -0.736 18.253 19.000 -0.017 0.000 0.818 665 A HN 0.640 nan 8.150 nan 0.000 0.443 666 E N -0.256 119.965 120.200 0.035 0.000 2.077 666 E HA -0.198 4.150 4.350 -0.003 0.000 0.193 666 E C 1.778 178.396 176.600 0.031 0.000 0.989 666 E CA 1.289 57.705 56.400 0.027 0.000 0.800 666 E CB -0.210 29.508 29.700 0.031 0.000 0.746 666 E HN 0.301 nan 8.360 nan 0.000 0.452 667 K N 0.842 121.285 120.400 0.072 0.000 2.057 667 K HA -0.074 4.244 4.320 -0.003 0.000 0.206 667 K C 2.481 179.104 176.600 0.038 0.000 1.050 667 K CA 1.596 57.921 56.287 0.064 0.000 0.935 667 K CB -0.439 32.138 32.500 0.128 0.000 0.715 667 K HN 0.382 nan 8.250 nan 0.000 0.439 668 V N -2.248 117.687 119.914 0.035 0.000 2.788 668 V HA 0.228 4.346 4.120 -0.003 0.000 0.251 668 V C 0.820 176.889 176.094 -0.042 0.000 1.068 668 V CA 0.812 63.107 62.300 -0.008 0.000 1.090 668 V CB -0.829 30.979 31.823 -0.024 0.000 0.710 668 V HN 0.364 nan 8.190 nan 0.000 0.467 669 G N 1.323 110.100 108.800 -0.038 0.000 2.712 669 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.686 669 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.686 669 G C 0.150 175.003 174.900 -0.078 0.000 1.181 669 G CA 0.108 45.176 45.100 -0.053 0.000 0.762 669 G HN 0.830 nan 8.290 nan 0.000 0.641 670 E N 0.231 120.388 120.200 -0.073 0.000 2.204 670 E HA -0.155 4.193 4.350 -0.003 0.000 0.194 670 E C 1.736 178.255 176.600 -0.135 0.000 0.989 670 E CA 1.470 57.817 56.400 -0.088 0.000 0.824 670 E CB -0.082 29.581 29.700 -0.062 0.000 0.756 670 E HN 0.679 nan 8.360 nan 0.000 0.477 671 E N 1.227 121.350 120.200 -0.130 0.000 2.478 671 E HA -0.093 4.255 4.350 -0.003 0.000 0.198 671 E C 0.536 176.993 176.600 -0.238 0.000 1.046 671 E CA 0.391 56.694 56.400 -0.162 0.000 0.870 671 E CB -0.258 29.374 29.700 -0.113 0.000 0.818 671 E HN 0.303 nan 8.360 nan 0.000 0.527 672 N N 0.604 119.165 118.700 -0.233 0.000 2.275 672 N HA 0.288 5.026 4.740 -0.003 0.000 0.236 672 N C -0.258 175.059 175.510 -0.321 0.000 1.154 672 N CA -0.025 52.862 53.050 -0.271 0.000 0.866 672 N CB 1.422 39.798 38.487 -0.185 0.000 1.093 672 N HN 0.245 nan 8.380 nan 0.000 0.515 673 I N -0.881 119.447 120.570 -0.404 0.000 2.908 673 I HA 0.337 4.505 4.170 -0.003 0.000 0.300 673 I C -1.541 174.326 176.117 -0.416 0.000 1.385 673 I CA -0.801 60.302 61.300 -0.327 0.000 1.004 673 I CB 1.664 39.585 38.000 -0.132 0.000 1.309 673 I HN -0.263 nan 8.210 nan 0.000 0.449 674 F N 7.536 127.498 119.950 0.020 0.000 2.359 674 F HA 0.427 4.952 4.527 -0.004 0.000 0.355 674 F C 0.005 175.893 175.800 0.147 0.000 1.132 674 F CA -0.572 57.472 58.000 0.074 0.000 1.246 674 F CB 0.316 39.363 39.000 0.077 0.000 1.569 674 F HN 0.054 nan 8.300 nan 0.000 0.561 675 I N 4.164 124.853 120.570 0.199 0.000 2.395 675 I HA 0.280 4.448 4.170 -0.003 0.000 0.289 675 I C -0.075 176.173 176.117 0.219 0.000 1.023 675 I CA -0.621 60.763 61.300 0.140 0.000 1.350 675 I CB 0.270 38.284 38.000 0.023 0.000 1.409 675 I HN 0.376 nan 8.210 nan 0.000 0.507 676 F N 3.127 123.105 119.950 0.046 0.000 2.685 676 F HA 0.882 5.408 4.527 -0.002 0.000 0.315 676 F C 0.046 175.838 175.800 -0.013 0.000 1.126 676 F CA -0.510 57.506 58.000 0.027 0.000 0.950 676 F CB 1.296 40.335 39.000 0.065 0.000 1.360 676 F HN 0.795 nan 8.300 nan 0.000 0.469 677 G N 0.590 109.412 108.800 0.037 0.000 2.728 677 G HA2 -0.032 3.926 3.960 -0.003 0.000 0.294 677 G HA3 -0.032 3.926 3.960 -0.003 0.000 0.294 677 G C -1.289 173.467 174.900 -0.238 0.000 1.342 677 G CA -0.657 44.385 45.100 -0.097 0.000 0.866 677 G HN 1.185 nan 8.290 nan 0.000 0.534 678 H N 0.746 119.779 119.070 -0.062 0.000 2.815 678 H HA 0.367 4.921 4.556 -0.004 0.000 0.350 678 H C 1.469 176.738 175.328 -0.098 0.000 1.080 678 H CA 0.997 57.004 56.048 -0.068 0.000 1.433 678 H CB 0.555 30.261 29.762 -0.093 0.000 1.432 678 H HN 0.908 nan 8.280 nan 0.000 0.592 679 T N -1.516 113.060 114.554 0.037 0.000 2.788 679 T HA 0.123 4.471 4.350 -0.003 0.000 0.280 679 T C 1.780 176.476 174.700 -0.007 0.000 0.984 679 T CA -0.802 61.292 62.100 -0.011 0.000 0.972 679 T CB 0.576 69.440 68.868 -0.006 0.000 1.039 679 T HN 0.259 nan 8.240 nan 0.000 0.530 680 V N 1.510 121.407 119.914 -0.028 0.000 2.295 680 V HA -0.153 3.965 4.120 -0.003 0.000 0.246 680 V C 2.777 178.851 176.094 -0.034 0.000 1.049 680 V CA 2.268 64.546 62.300 -0.037 0.000 1.024 680 V CB -1.173 30.627 31.823 -0.038 0.000 0.648 680 V HN 0.910 nan 8.190 nan 0.000 0.447 681 E N 0.021 120.208 120.200 -0.023 0.000 2.085 681 E HA -0.268 4.080 4.350 -0.003 0.000 0.194 681 E C 2.230 178.821 176.600 -0.014 0.000 0.994 681 E CA 1.471 57.860 56.400 -0.019 0.000 0.801 681 E CB -0.279 29.415 29.700 -0.010 0.000 0.743 681 E HN 0.673 nan 8.360 nan 0.000 0.453 682 Q N -0.071 119.735 119.800 0.009 0.000 2.245 682 Q HA -0.030 4.308 4.340 -0.003 0.000 0.201 682 Q C 2.194 178.151 176.000 -0.072 0.000 0.955 682 Q CA 0.756 56.575 55.803 0.026 0.000 0.870 682 Q CB 0.187 29.019 28.738 0.157 0.000 0.945 682 Q HN 0.135 nan 8.270 nan 0.000 0.461 683 V N 1.285 121.144 119.914 -0.092 0.000 2.307 683 V HA -0.264 3.853 4.120 -0.003 0.000 0.245 683 V C 1.985 177.980 176.094 -0.164 0.000 1.045 683 V CA 1.775 63.962 62.300 -0.188 0.000 1.024 683 V CB -0.336 31.404 31.823 -0.137 0.000 0.651 683 V HN 0.282 nan 8.190 nan 0.000 0.449 684 K N 0.073 120.412 120.400 -0.101 0.000 2.097 684 K HA -0.110 4.208 4.320 -0.003 0.000 0.206 684 K C 2.268 178.827 176.600 -0.068 0.000 1.049 684 K CA 1.411 57.648 56.287 -0.083 0.000 0.933 684 K CB -0.355 32.108 32.500 -0.062 0.000 0.717 684 K HN 0.483 nan 8.250 nan 0.000 0.442 685 A N 1.353 124.140 122.820 -0.056 0.000 1.898 685 A HA -0.113 4.205 4.320 -0.003 0.000 0.216 685 A C 2.095 179.662 177.584 -0.029 0.000 1.181 685 A CA 1.139 53.159 52.037 -0.029 0.000 0.620 685 A CB -0.492 18.505 19.000 -0.005 0.000 0.819 685 A HN 0.151 nan 8.150 nan 0.000 0.442 686 I N -0.184 120.341 120.570 -0.075 0.000 2.226 686 I HA -0.261 3.907 4.170 -0.003 0.000 0.245 686 I C 2.341 178.440 176.117 -0.030 0.000 1.100 686 I CA 1.069 62.330 61.300 -0.065 0.000 1.374 686 I CB -0.279 37.575 38.000 -0.243 0.000 1.057 686 I HN 0.296 nan 8.210 nan 0.000 0.413 687 L N 0.279 121.447 121.223 -0.093 0.000 2.056 687 L HA -0.177 4.161 4.340 -0.003 0.000 0.207 687 L C 2.877 179.748 176.870 0.002 0.000 1.078 687 L CA 1.246 56.063 54.840 -0.039 0.000 0.749 687 L CB -0.784 41.222 42.059 -0.088 0.000 0.901 687 L HN 0.233 nan 8.230 nan 0.000 0.433 688 A N 0.538 123.350 122.820 -0.014 0.000 1.883 688 A HA -0.262 4.056 4.320 -0.003 0.000 0.217 688 A C 2.401 179.995 177.584 0.017 0.000 1.186 688 A CA 2.101 54.136 52.037 -0.004 0.000 0.624 688 A CB -0.513 18.480 19.000 -0.012 0.000 0.822 688 A HN 0.390 nan 8.150 nan 0.000 0.444 689 K N -0.404 120.014 120.400 0.031 0.000 2.365 689 K HA 0.123 4.441 4.320 -0.003 0.000 0.199 689 K C 0.462 177.100 176.600 0.063 0.000 1.045 689 K CA 1.053 57.367 56.287 0.046 0.000 0.962 689 K CB -0.441 32.093 32.500 0.057 0.000 0.759 689 K HN 1.085 nan 8.250 nan 0.000 0.469 690 G N 1.423 110.272 108.800 0.082 0.000 3.017 690 G HA2 -0.214 3.743 3.960 -0.003 0.000 0.680 690 G HA3 -0.214 3.743 3.960 -0.003 0.000 0.680 690 G C -1.367 173.632 174.900 0.165 0.000 1.179 690 G CA -0.326 44.830 45.100 0.095 0.000 1.142 690 G HN 0.324 nan 8.290 nan 0.000 0.489 691 Y N 2.636 122.954 120.300 0.032 0.000 2.327 691 Y HA 0.615 5.163 4.550 -0.003 0.000 0.336 691 Y C -0.237 175.711 175.900 0.081 0.000 1.035 691 Y CA -1.328 56.807 58.100 0.058 0.000 1.165 691 Y CB 1.885 40.335 38.460 -0.017 0.000 1.181 691 Y HN 0.391 nan 8.280 nan 0.000 0.494 692 D N 9.264 129.527 120.400 -0.228 0.000 2.462 692 D HA 0.295 4.933 4.640 -0.003 0.000 0.249 692 D C -1.981 174.116 176.300 -0.339 0.000 1.117 692 D CA -2.539 51.308 54.000 -0.254 0.000 0.900 692 D CB 1.456 42.236 40.800 -0.033 0.000 1.039 692 D HN 0.353 nan 8.370 nan 0.000 0.516 693 P HA -0.160 nan 4.420 nan 0.000 0.218 693 P C 1.493 178.785 177.300 -0.014 0.000 1.148 693 P CA 0.559 63.417 63.100 -0.403 0.000 0.822 693 P CB 0.555 32.071 31.700 -0.306 0.000 0.784 694 V N 0.606 120.502 119.914 -0.030 0.000 2.515 694 V HA -0.169 3.949 4.120 -0.003 0.000 0.250 694 V C 2.804 178.930 176.094 0.054 0.000 1.058 694 V CA 1.706 64.018 62.300 0.021 0.000 1.064 694 V CB -1.179 30.645 31.823 0.001 0.000 0.675 694 V HN 0.142 nan 8.190 nan 0.000 0.461 695 K N -0.920 119.515 120.400 0.058 0.000 2.057 695 K HA -0.209 4.109 4.320 -0.003 0.000 0.206 695 K C 1.954 178.577 176.600 0.039 0.000 1.050 695 K CA 1.802 58.101 56.287 0.021 0.000 0.935 695 K CB -0.227 32.260 32.500 -0.021 0.000 0.715 695 K HN 0.490 nan 8.250 nan 0.000 0.439 696 W N 1.206 122.505 121.300 -0.001 0.000 2.358 696 W HA -0.058 4.598 4.660 -0.006 0.000 0.303 696 W C 2.463 179.005 176.519 0.038 0.000 1.208 696 W CA 1.379 58.758 57.345 0.058 0.000 1.274 696 W CB -0.256 29.276 29.460 0.119 0.000 1.138 696 W HN 0.130 nan 8.180 nan 0.000 0.515 697 R N 0.845 121.488 120.500 0.239 0.000 2.070 697 R HA -0.177 4.161 4.340 -0.003 0.000 0.233 697 R C 1.948 178.288 176.300 0.067 0.000 1.137 697 R CA 1.536 57.702 56.100 0.109 0.000 0.945 697 R CB -0.272 30.061 30.300 0.055 0.000 0.845 697 R HN -0.129 nan 8.270 nan 0.000 0.430 698 K N 0.689 121.119 120.400 0.050 0.000 2.362 698 K HA -0.049 4.269 4.320 -0.003 0.000 0.200 698 K C 1.543 178.154 176.600 0.018 0.000 1.046 698 K CA 0.882 57.183 56.287 0.023 0.000 0.952 698 K CB 0.097 32.603 32.500 0.010 0.000 0.753 698 K HN 0.171 nan 8.250 nan 0.000 0.466 699 K N 0.806 121.218 120.400 0.020 0.000 2.444 699 K HA 0.015 4.333 4.320 -0.003 0.000 0.193 699 K C -0.114 176.511 176.600 0.042 0.000 1.024 699 K CA 0.164 56.452 56.287 0.002 0.000 1.077 699 K CB 0.380 32.843 32.500 -0.061 0.000 0.833 699 K HN 0.050 nan 8.250 nan 0.000 0.517 700 D N 1.135 121.580 120.400 0.075 0.000 2.462 700 D HA 0.082 4.720 4.640 -0.003 0.000 0.245 700 D C 0.736 177.082 176.300 0.077 0.000 1.122 700 D CA -0.107 53.958 54.000 0.110 0.000 0.864 700 D CB 1.383 42.296 40.800 0.188 0.000 1.098 700 D HN -0.160 nan 8.370 nan 0.000 0.541 701 K N 2.211 122.653 120.400 0.070 0.000 2.044 701 K HA -0.134 4.184 4.320 -0.003 0.000 0.210 701 K C 1.539 178.170 176.600 0.052 0.000 1.049 701 K CA 1.401 57.718 56.287 0.050 0.000 0.927 701 K CB 0.248 32.774 32.500 0.044 0.000 0.713 701 K HN 0.263 nan 8.250 nan 0.000 0.443 702 V N 1.358 121.328 119.914 0.093 0.000 2.307 702 V HA -0.235 3.882 4.120 -0.003 0.000 0.245 702 V C 2.280 178.401 176.094 0.046 0.000 1.045 702 V CA 1.493 63.858 62.300 0.109 0.000 1.024 702 V CB -0.502 31.439 31.823 0.196 0.000 0.651 702 V HN 0.367 nan 8.190 nan 0.000 0.449 703 L N 1.030 122.246 121.223 -0.011 0.000 2.013 703 L HA -0.244 4.094 4.340 -0.003 0.000 0.212 703 L C 2.131 178.892 176.870 -0.182 0.000 1.073 703 L CA 2.688 57.307 54.840 -0.367 0.000 0.753 703 L CB -1.001 40.805 42.059 -0.421 0.000 0.890 703 L HN 0.479 nan 8.230 nan 0.000 0.432 704 D N -0.966 119.393 120.400 -0.068 0.000 2.144 704 D HA -0.135 4.503 4.640 -0.003 0.000 0.200 704 D C 2.057 178.343 176.300 -0.023 0.000 0.978 704 D CA 1.345 55.325 54.000 -0.034 0.000 0.833 704 D CB -0.001 40.797 40.800 -0.004 0.000 0.961 704 D HN 0.451 nan 8.370 nan 0.000 0.470 705 A N -0.199 122.613 122.820 -0.014 0.000 1.898 705 A HA -0.056 4.262 4.320 -0.003 0.000 0.216 705 A C 2.522 180.106 177.584 -0.001 0.000 1.181 705 A CA 1.271 53.305 52.037 -0.004 0.000 0.620 705 A CB -0.804 18.197 19.000 0.001 0.000 0.819 705 A HN 0.212 nan 8.150 nan 0.000 0.442 706 V N 0.076 119.983 119.914 -0.012 0.000 2.358 706 V HA -0.221 3.897 4.120 -0.003 0.000 0.246 706 V C 2.556 178.647 176.094 -0.004 0.000 1.047 706 V CA 1.944 64.243 62.300 -0.002 0.000 1.035 706 V CB -0.533 31.281 31.823 -0.014 0.000 0.658 706 V HN 0.589 nan 8.190 nan 0.000 0.452 707 L N -0.692 120.509 121.223 -0.037 0.000 2.083 707 L HA -0.204 4.134 4.340 -0.003 0.000 0.209 707 L C 2.517 179.405 176.870 0.030 0.000 1.083 707 L CA 1.671 56.505 54.840 -0.009 0.000 0.752 707 L CB -0.610 41.434 42.059 -0.025 0.000 0.899 707 L HN 0.252 nan 8.230 nan 0.000 0.433 708 K N 0.011 120.424 120.400 0.021 0.000 2.097 708 K HA -0.194 4.124 4.320 -0.003 0.000 0.206 708 K C 2.001 178.627 176.600 0.043 0.000 1.049 708 K CA 1.339 57.642 56.287 0.027 0.000 0.933 708 K CB -0.091 32.415 32.500 0.010 0.000 0.717 708 K HN 0.354 nan 8.250 nan 0.000 0.442 709 E N 0.709 120.946 120.200 0.062 0.000 2.085 709 E HA -0.192 4.156 4.350 -0.003 0.000 0.194 709 E C 1.926 178.642 176.600 0.193 0.000 0.994 709 E CA 1.050 57.514 56.400 0.107 0.000 0.801 709 E CB -0.077 29.740 29.700 0.195 0.000 0.743 709 E HN 0.256 nan 8.360 nan 0.000 0.453 710 L N 0.458 121.798 121.223 0.195 0.000 2.217 710 L HA -0.130 4.208 4.340 -0.003 0.000 0.211 710 L C 1.924 178.946 176.870 0.253 0.000 1.107 710 L CA 0.922 55.919 54.840 0.262 0.000 0.783 710 L CB -0.076 42.057 42.059 0.123 0.000 0.919 710 L HN 0.064 nan 8.230 nan 0.000 0.442 711 E N -0.777 119.502 120.200 0.132 0.000 2.385 711 E HA -0.087 4.261 4.350 -0.003 0.000 0.194 711 E C 2.131 178.744 176.600 0.022 0.000 1.013 711 E CA 0.837 57.282 56.400 0.076 0.000 0.866 711 E CB 0.207 29.939 29.700 0.054 0.000 0.832 711 E HN 0.389 nan 8.360 nan 0.000 0.500 712 S N -0.786 114.930 115.700 0.027 0.000 2.527 712 S HA 0.104 4.572 4.470 -0.003 0.000 0.222 712 S C 1.725 176.293 174.600 -0.053 0.000 0.985 712 S CA 0.566 58.752 58.200 -0.023 0.000 0.921 712 S CB 0.309 63.492 63.200 -0.029 0.000 0.772 712 S HN 0.330 nan 8.310 nan 0.000 0.529 713 G N 1.762 110.542 108.800 -0.032 0.000 2.175 713 G HA2 -0.343 3.615 3.960 -0.003 0.000 0.244 713 G HA3 -0.343 3.615 3.960 -0.003 0.000 0.244 713 G C 0.753 175.611 174.900 -0.069 0.000 0.982 713 G CA 0.561 45.619 45.100 -0.070 0.000 0.641 713 G HN 0.587 nan 8.290 nan 0.000 0.527 714 K N -0.418 119.918 120.400 -0.106 0.000 2.089 714 K HA -0.121 4.197 4.320 -0.003 0.000 0.210 714 K C 1.713 178.115 176.600 -0.330 0.000 1.048 714 K CA 1.954 58.080 56.287 -0.267 0.000 0.926 714 K CB -0.221 32.008 32.500 -0.451 0.000 0.714 714 K HN 0.515 nan 8.250 nan 0.000 0.448 715 Y N -0.012 120.339 120.300 0.084 0.000 2.461 715 Y HA 0.086 4.635 4.550 -0.003 0.000 0.277 715 Y C 0.814 176.756 175.900 0.070 0.000 1.182 715 Y CA 0.227 58.379 58.100 0.087 0.000 1.276 715 Y CB 0.655 39.166 38.460 0.086 0.000 1.087 715 Y HN 0.104 nan 8.280 nan 0.000 0.519 716 S N -2.127 113.619 115.700 0.077 0.000 2.901 716 S HA 0.178 4.646 4.470 -0.003 0.000 0.248 716 S C -0.666 173.908 174.600 -0.044 0.000 1.021 716 S CA -0.670 57.508 58.200 -0.037 0.000 1.090 716 S CB -0.330 62.699 63.200 -0.285 0.000 1.039 716 S HN 0.240 nan 8.310 nan 0.000 0.514 717 D N 1.603 121.988 120.400 -0.026 0.000 2.686 717 D HA -0.156 4.482 4.640 -0.003 0.000 0.235 717 D C 1.233 177.504 176.300 -0.047 0.000 1.160 717 D CA 1.864 55.846 54.000 -0.030 0.000 0.645 717 D CB -1.678 39.117 40.800 -0.009 0.000 1.039 717 D HN 1.241 nan 8.370 nan 0.000 0.423 718 G N -0.075 108.685 108.800 -0.067 0.000 2.199 718 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.254 718 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.254 718 G C -0.007 174.832 174.900 -0.101 0.000 0.982 718 G CA 0.247 45.301 45.100 -0.077 0.000 0.632 718 G HN 0.586 nan 8.290 nan 0.000 0.529 719 D N 0.862 121.195 120.400 -0.111 0.000 2.374 719 D HA 0.365 5.003 4.640 -0.003 0.000 0.240 719 D C 1.512 177.682 176.300 -0.216 0.000 1.229 719 D CA -0.228 53.686 54.000 -0.143 0.000 0.895 719 D CB 0.328 41.063 40.800 -0.108 0.000 1.046 719 D HN 0.358 nan 8.370 nan 0.000 0.498 720 K N 2.020 122.249 120.400 -0.284 0.000 2.442 720 K HA -0.089 4.229 4.320 -0.003 0.000 0.198 720 K C 0.638 177.014 176.600 -0.374 0.000 1.042 720 K CA 0.638 56.723 56.287 -0.337 0.000 0.958 720 K CB 0.249 32.497 32.500 -0.420 0.000 0.766 720 K HN 0.534 nan 8.250 nan 0.000 0.474 721 H N -0.967 118.034 119.070 -0.115 0.000 2.549 721 H HA 0.234 4.788 4.556 -0.003 0.000 0.279 721 H C 1.623 176.842 175.328 -0.181 0.000 1.018 721 H CA 0.203 56.179 56.048 -0.120 0.000 1.175 721 H CB 0.380 30.094 29.762 -0.080 0.000 1.485 721 H HN 0.148 nan 8.280 nan 0.000 0.543 722 A N 0.826 123.488 122.820 -0.264 0.000 1.940 722 A HA -0.164 4.154 4.320 -0.003 0.000 0.219 722 A C 0.923 178.275 177.584 -0.387 0.000 1.176 722 A CA 1.300 53.078 52.037 -0.432 0.000 0.631 722 A CB -0.623 17.837 19.000 -0.899 0.000 0.814 722 A HN 0.178 nan 8.150 nan 0.000 0.446 723 F N -0.099 119.908 119.950 0.095 0.000 2.772 723 F HA 0.247 4.771 4.527 -0.003 0.000 0.302 723 F C 0.896 176.693 175.800 -0.005 0.000 1.136 723 F CA -1.185 56.848 58.000 0.055 0.000 1.322 723 F CB -0.296 38.705 39.000 0.002 0.000 0.967 723 F HN 0.051 nan 8.300 nan 0.000 0.513 724 D N 0.686 121.110 120.400 0.039 0.000 2.116 724 D HA -0.207 4.431 4.640 -0.003 0.000 0.193 724 D C 2.032 178.225 176.300 -0.179 0.000 0.998 724 D CA 1.625 55.518 54.000 -0.177 0.000 0.836 724 D CB -0.033 40.635 40.800 -0.220 0.000 0.951 724 D HN 0.390 nan 8.370 nan 0.000 0.449 725 Q N -0.380 119.420 119.800 0.001 0.000 2.061 725 Q HA -0.156 4.182 4.340 -0.003 0.000 0.204 725 Q C 2.270 178.331 176.000 0.102 0.000 0.984 725 Q CA 1.183 57.031 55.803 0.075 0.000 0.846 725 Q CB -0.196 28.605 28.738 0.105 0.000 0.902 725 Q HN 0.345 nan 8.270 nan 0.000 0.421 726 M N 0.129 119.791 119.600 0.104 0.000 2.132 726 M HA -0.174 4.304 4.480 -0.003 0.000 0.263 726 M C 1.514 177.899 176.300 0.141 0.000 1.065 726 M CA 1.218 56.578 55.300 0.099 0.000 1.122 726 M CB 0.115 32.757 32.600 0.071 0.000 1.365 726 M HN 0.195 nan 8.290 nan 0.000 0.411 727 L N -0.010 121.281 121.223 0.114 0.000 2.056 727 L HA -0.184 4.154 4.340 -0.003 0.000 0.207 727 L C 2.524 179.501 176.870 0.178 0.000 1.078 727 L CA 1.788 56.698 54.840 0.116 0.000 0.749 727 L CB -1.880 40.225 42.059 0.076 0.000 0.901 727 L HN 0.353 nan 8.230 nan 0.000 0.433 728 H N -0.645 118.491 119.070 0.110 0.000 2.352 728 H HA -0.105 4.449 4.556 -0.003 0.000 0.299 728 H C 2.485 177.871 175.328 0.097 0.000 1.097 728 H CA 1.487 57.588 56.048 0.089 0.000 1.311 728 H CB -0.478 29.331 29.762 0.079 0.000 1.377 728 H HN 0.428 nan 8.280 nan 0.000 0.504 729 S N 0.651 116.506 115.700 0.259 0.000 2.399 729 S HA -0.099 4.369 4.470 -0.003 0.000 0.231 729 S C 1.957 176.685 174.600 0.214 0.000 1.022 729 S CA 1.330 59.664 58.200 0.224 0.000 0.983 729 S CB -0.612 62.729 63.200 0.235 0.000 0.803 729 S HN 0.608 nan 8.310 nan 0.000 0.480 730 I N -1.496 119.198 120.570 0.206 0.000 3.956 730 I HA 0.491 4.659 4.170 -0.003 0.000 0.333 730 I C 0.978 177.159 176.117 0.107 0.000 1.302 730 I CA -0.291 61.109 61.300 0.166 0.000 1.122 730 I CB -0.424 37.669 38.000 0.155 0.000 1.013 730 I HN 0.284 nan 8.210 nan 0.000 0.405 731 G N 1.151 110.021 108.800 0.116 0.000 2.736 731 G HA2 0.203 4.161 3.960 -0.003 0.000 0.229 731 G HA3 0.203 4.161 3.960 -0.003 0.000 0.229 731 G C 0.412 175.336 174.900 0.039 0.000 1.380 731 G CA -0.263 44.885 45.100 0.080 0.000 1.040 731 G HN -0.084 nan 8.290 nan 0.000 0.568 732 K N -0.527 119.886 120.400 0.021 0.000 2.097 732 K HA -0.063 4.255 4.320 -0.003 0.000 0.206 732 K C 2.697 179.283 176.600 -0.023 0.000 1.049 732 K CA 1.464 57.743 56.287 -0.012 0.000 0.933 732 K CB -0.429 32.063 32.500 -0.013 0.000 0.717 732 K HN 0.437 nan 8.250 nan 0.000 0.442 733 Q N -1.407 118.370 119.800 -0.040 0.000 2.020 733 Q HA -0.013 4.325 4.340 -0.003 0.000 0.202 733 Q C 2.095 178.081 176.000 -0.024 0.000 0.982 733 Q CA 1.914 57.658 55.803 -0.098 0.000 0.838 733 Q CB -0.621 27.930 28.738 -0.311 0.000 0.899 733 Q HN 0.437 nan 8.270 nan 0.000 0.423 734 G N -1.648 107.176 108.800 0.039 0.000 2.603 734 G HA2 0.265 4.223 3.960 -0.003 0.000 0.214 734 G HA3 0.265 4.223 3.960 -0.003 0.000 0.214 734 G C 0.936 175.870 174.900 0.057 0.000 1.140 734 G CA 0.293 45.435 45.100 0.071 0.000 0.800 734 G HN 0.565 nan 8.290 nan 0.000 0.533 735 G N 0.303 109.127 108.800 0.040 0.000 2.162 735 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.260 735 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.260 735 G C 0.330 175.278 174.900 0.080 0.000 0.976 735 G CA 0.893 46.007 45.100 0.024 0.000 0.655 735 G HN 1.013 nan 8.290 nan 0.000 0.533 736 D N -0.866 119.605 120.400 0.118 0.000 2.735 736 D HA -0.149 4.489 4.640 -0.003 0.000 0.235 736 D C -0.055 176.354 176.300 0.182 0.000 1.175 736 D CA 1.169 55.285 54.000 0.192 0.000 0.683 736 D CB -0.314 40.614 40.800 0.212 0.000 1.008 736 D HN 0.405 nan 8.370 nan 0.000 0.416 737 P HA -0.167 nan 4.420 nan 0.000 0.221 737 P C 0.932 177.995 177.300 -0.396 0.000 1.145 737 P CA 1.198 64.162 63.100 -0.227 0.000 0.795 737 P CB -0.153 31.290 31.700 -0.428 0.000 0.775 738 Y N -0.868 119.491 120.300 0.098 0.000 2.468 738 Y HA 0.278 4.827 4.550 -0.002 0.000 0.268 738 Y C 1.352 177.237 175.900 -0.025 0.000 1.177 738 Y CA -0.412 57.726 58.100 0.063 0.000 1.265 738 Y CB -0.331 38.227 38.460 0.163 0.000 1.103 738 Y HN -0.290 nan 8.280 nan 0.000 0.522 739 L N -0.549 120.680 121.223 0.009 0.000 3.597 739 L HA -0.323 4.015 4.340 -0.003 0.000 0.440 739 L C 0.913 177.760 176.870 -0.038 0.000 1.277 739 L CA -0.181 54.571 54.840 -0.146 0.000 0.852 739 L CB -2.202 39.628 42.059 -0.382 0.000 1.708 739 L HN 0.154 nan 8.230 nan 0.000 0.885 740 V N -0.721 119.210 119.914 0.028 0.000 2.343 740 V HA -0.300 3.818 4.120 -0.003 0.000 0.247 740 V C 2.442 178.570 176.094 0.057 0.000 1.051 740 V CA 2.391 64.684 62.300 -0.012 0.000 1.036 740 V CB -0.239 31.500 31.823 -0.140 0.000 0.654 740 V HN 0.497 nan 8.190 nan 0.000 0.451 741 M N 0.054 119.689 119.600 0.058 0.000 2.099 741 M HA -0.071 4.407 4.480 -0.003 0.000 0.262 741 M C 2.484 178.800 176.300 0.027 0.000 1.067 741 M CA 2.206 57.556 55.300 0.084 0.000 1.124 741 M CB -1.576 31.088 32.600 0.107 0.000 1.353 741 M HN 0.382 nan 8.290 nan 0.000 0.410 742 A N 0.104 122.724 122.820 -0.334 0.000 1.978 742 A HA -0.177 4.141 4.320 -0.003 0.000 0.220 742 A C 1.744 179.245 177.584 -0.137 0.000 1.170 742 A CA 1.933 53.436 52.037 -0.890 0.000 0.636 742 A CB -0.575 17.738 19.000 -1.145 0.000 0.810 742 A HN 0.442 nan 8.150 nan 0.000 0.448 743 D N -2.287 118.158 120.400 0.075 0.000 2.360 743 D HA 0.107 4.745 4.640 -0.003 0.000 0.210 743 D C 1.230 177.704 176.300 0.290 0.000 1.047 743 D CA -0.067 54.072 54.000 0.231 0.000 0.854 743 D CB -0.130 40.819 40.800 0.248 0.000 0.936 743 D HN 0.433 nan 8.370 nan 0.000 0.514 744 F N 2.352 122.391 119.950 0.149 0.000 2.069 744 F HA -0.222 4.302 4.527 -0.004 0.000 0.298 744 F C 2.171 178.070 175.800 0.166 0.000 1.113 744 F CA 1.847 59.948 58.000 0.169 0.000 1.214 744 F CB -0.132 38.959 39.000 0.151 0.000 0.978 744 F HN -0.035 nan 8.300 nan 0.000 0.474 745 A N 0.460 123.437 122.820 0.261 0.000 1.902 745 A HA -0.094 4.224 4.320 -0.003 0.000 0.217 745 A C 2.415 179.990 177.584 -0.014 0.000 1.181 745 A CA 1.964 54.056 52.037 0.092 0.000 0.623 745 A CB -1.654 17.493 19.000 0.245 0.000 0.818 745 A HN 0.558 nan 8.150 nan 0.000 0.443 746 A N -1.460 121.413 122.820 0.088 0.000 1.908 746 A HA -0.154 4.164 4.320 -0.003 0.000 0.218 746 A C 2.166 179.711 177.584 -0.065 0.000 1.181 746 A CA 1.841 53.934 52.037 0.093 0.000 0.627 746 A CB -0.837 18.297 19.000 0.223 0.000 0.818 746 A HN 0.727 nan 8.150 nan 0.000 0.445 747 Y N 0.742 120.769 120.300 -0.454 0.000 2.145 747 Y HA -0.160 4.388 4.550 -0.003 0.000 0.286 747 Y C 2.414 177.844 175.900 -0.783 0.000 1.145 747 Y CA 1.575 59.041 58.100 -1.057 0.000 1.148 747 Y CB -0.655 37.260 38.460 -0.909 0.000 0.981 747 Y HN 0.063 nan 8.280 nan 0.000 0.507 748 V N 0.556 120.046 119.914 -0.707 0.000 2.407 748 V HA -0.264 3.854 4.120 -0.003 0.000 0.248 748 V C 2.370 178.206 176.094 -0.431 0.000 1.055 748 V CA 2.206 64.092 62.300 -0.689 0.000 1.049 748 V CB -0.701 30.794 31.823 -0.547 0.000 0.662 748 V HN 0.345 nan 8.190 nan 0.000 0.455 749 E N 0.980 121.010 120.200 -0.282 0.000 2.047 749 E HA -0.153 4.195 4.350 -0.003 0.000 0.191 749 E C 2.134 178.644 176.600 -0.151 0.000 0.987 749 E CA 1.712 58.022 56.400 -0.149 0.000 0.799 749 E CB -0.544 29.121 29.700 -0.058 0.000 0.752 749 E HN 0.477 nan 8.360 nan 0.000 0.449 750 A N 0.646 123.352 122.820 -0.191 0.000 1.902 750 A HA -0.209 4.109 4.320 -0.003 0.000 0.217 750 A C 2.152 179.556 177.584 -0.299 0.000 1.181 750 A CA 1.650 53.617 52.037 -0.117 0.000 0.623 750 A CB -0.590 18.378 19.000 -0.053 0.000 0.818 750 A HN 0.284 nan 8.150 nan 0.000 0.443 751 Q N -0.259 119.238 119.800 -0.504 0.000 2.224 751 Q HA -0.130 4.208 4.340 -0.003 0.000 0.203 751 Q C 1.818 177.640 176.000 -0.296 0.000 0.970 751 Q CA 1.422 56.906 55.803 -0.531 0.000 0.865 751 Q CB -0.206 28.011 28.738 -0.869 0.000 0.922 751 Q HN 0.721 nan 8.270 nan 0.000 0.445 752 K N 0.445 120.722 120.400 -0.206 0.000 2.155 752 K HA -0.120 4.198 4.320 -0.003 0.000 0.203 752 K C 2.027 178.597 176.600 -0.050 0.000 1.052 752 K CA 0.891 57.122 56.287 -0.093 0.000 0.948 752 K CB 0.110 32.575 32.500 -0.057 0.000 0.728 752 K HN 0.244 nan 8.250 nan 0.000 0.448 753 Q N 0.146 119.923 119.800 -0.038 0.000 2.311 753 Q HA -0.047 4.291 4.340 -0.003 0.000 0.203 753 Q C 1.942 178.007 176.000 0.107 0.000 0.954 753 Q CA 0.595 56.466 55.803 0.113 0.000 0.885 753 Q CB 0.113 29.018 28.738 0.279 0.000 0.963 753 Q HN 0.040 nan 8.270 nan 0.000 0.471 754 V N 1.598 121.357 119.914 -0.258 0.000 2.295 754 V HA -0.287 3.831 4.120 -0.003 0.000 0.246 754 V C 1.254 177.379 176.094 0.051 0.000 1.049 754 V CA 2.249 64.361 62.300 -0.313 0.000 1.024 754 V CB -0.447 31.058 31.823 -0.530 0.000 0.648 754 V HN 0.340 nan 8.190 nan 0.000 0.447 755 D N -0.229 120.161 120.400 -0.015 0.000 2.104 755 D HA -0.158 4.480 4.640 -0.003 0.000 0.194 755 D C 2.092 178.456 176.300 0.106 0.000 0.994 755 D CA 1.392 55.405 54.000 0.021 0.000 0.830 755 D CB -0.379 40.417 40.800 -0.006 0.000 0.959 755 D HN 0.274 nan 8.370 nan 0.000 0.452 756 V N 0.513 120.499 119.914 0.119 0.000 2.295 756 V HA -0.208 3.910 4.120 -0.003 0.000 0.246 756 V C 2.299 178.511 176.094 0.197 0.000 1.049 756 V CA 1.201 63.582 62.300 0.135 0.000 1.024 756 V CB -0.443 31.455 31.823 0.125 0.000 0.648 756 V HN 0.181 nan 8.190 nan 0.000 0.447 757 L N -0.887 120.530 121.223 0.323 0.000 2.056 757 L HA -0.157 4.181 4.340 -0.003 0.000 0.207 757 L C 2.262 179.406 176.870 0.456 0.000 1.078 757 L CA 1.936 57.031 54.840 0.424 0.000 0.749 757 L CB -0.851 41.579 42.059 0.619 0.000 0.901 757 L HN 0.425 nan 8.230 nan 0.000 0.433 758 Y N 0.162 120.610 120.300 0.246 0.000 2.333 758 Y HA -0.204 4.344 4.550 -0.004 0.000 0.290 758 Y C 2.533 178.354 175.900 -0.132 0.000 1.144 758 Y CA 1.528 59.508 58.100 -0.200 0.000 1.228 758 Y CB -0.055 38.048 38.460 -0.595 0.000 0.985 758 Y HN 0.147 nan 8.280 nan 0.000 0.542 759 R N -0.410 120.115 120.500 0.042 0.000 2.235 759 R HA -0.079 4.259 4.340 -0.003 0.000 0.213 759 R C 0.101 176.383 176.300 -0.030 0.000 1.059 759 R CA 0.904 56.999 56.100 -0.008 0.000 0.997 759 R CB -0.071 30.250 30.300 0.035 0.000 0.884 759 R HN 0.145 nan 8.270 nan 0.000 0.462 760 D N 0.563 120.973 120.400 0.017 0.000 2.518 760 D HA 0.025 4.663 4.640 -0.003 0.000 0.230 760 D C 0.732 177.044 176.300 0.021 0.000 1.138 760 D CA -0.109 53.906 54.000 0.024 0.000 0.964 760 D CB 0.837 41.675 40.800 0.063 0.000 1.011 760 D HN -0.121 nan 8.370 nan 0.000 0.517 761 Q N 1.625 121.385 119.800 -0.067 0.000 2.135 761 Q HA -0.202 4.136 4.340 -0.003 0.000 0.204 761 Q C 1.489 177.512 176.000 0.039 0.000 0.981 761 Q CA 1.074 56.827 55.803 -0.084 0.000 0.856 761 Q CB 0.077 28.710 28.738 -0.175 0.000 0.902 761 Q HN 0.722 nan 8.270 nan 0.000 0.425 762 E N -0.101 120.116 120.200 0.029 0.000 2.058 762 E HA -0.199 4.149 4.350 -0.003 0.000 0.194 762 E C 1.800 178.434 176.600 0.057 0.000 0.997 762 E CA 1.305 57.729 56.400 0.041 0.000 0.801 762 E CB -0.027 29.687 29.700 0.024 0.000 0.746 762 E HN 0.294 nan 8.360 nan 0.000 0.450 763 A N 1.598 124.460 122.820 0.069 0.000 1.898 763 A HA -0.171 4.147 4.320 -0.003 0.000 0.216 763 A C 2.057 179.696 177.584 0.092 0.000 1.181 763 A CA 1.153 53.228 52.037 0.063 0.000 0.620 763 A CB -1.242 17.799 19.000 0.069 0.000 0.819 763 A HN 0.742 nan 8.150 nan 0.000 0.442 764 W N 1.265 122.551 121.300 -0.024 0.000 2.333 764 W HA -0.183 4.476 4.660 -0.003 0.000 0.316 764 W C 1.802 178.321 176.519 -0.001 0.000 1.215 764 W CA 2.494 59.839 57.345 0.001 0.000 1.278 764 W CB -0.880 28.541 29.460 -0.065 0.000 1.154 764 W HN 0.355 nan 8.180 nan 0.000 0.486 765 T N 1.112 115.795 114.554 0.217 0.000 2.788 765 T HA -0.173 4.175 4.350 -0.003 0.000 0.268 765 T C 1.904 176.560 174.700 -0.073 0.000 1.044 765 T CA 1.652 63.820 62.100 0.112 0.000 1.139 765 T CB -0.274 68.681 68.868 0.144 0.000 0.867 765 T HN 0.162 nan 8.240 nan 0.000 0.454 766 R N 0.915 121.383 120.500 -0.054 0.000 2.082 766 R HA -0.049 4.289 4.340 -0.003 0.000 0.234 766 R C 2.876 179.085 176.300 -0.152 0.000 1.136 766 R CA 1.464 57.508 56.100 -0.093 0.000 0.935 766 R CB -0.629 29.635 30.300 -0.060 0.000 0.842 766 R HN 0.368 nan 8.270 nan 0.000 0.430 767 A N 1.238 123.953 122.820 -0.175 0.000 1.917 767 A HA -0.222 4.096 4.320 -0.003 0.000 0.219 767 A C 2.384 179.819 177.584 -0.248 0.000 1.182 767 A CA 2.026 53.924 52.037 -0.231 0.000 0.633 767 A CB -0.811 18.005 19.000 -0.307 0.000 0.819 767 A HN 0.469 nan 8.150 nan 0.000 0.448 768 A N -0.061 122.587 122.820 -0.286 0.000 1.865 768 A HA -0.131 4.187 4.320 -0.003 0.000 0.217 768 A C 2.123 179.606 177.584 -0.169 0.000 1.191 768 A CA 1.650 53.583 52.037 -0.172 0.000 0.623 768 A CB -0.718 18.287 19.000 0.008 0.000 0.826 768 A HN 0.517 nan 8.150 nan 0.000 0.444 769 I N -0.266 120.056 120.570 -0.413 0.000 2.264 769 I HA -0.278 3.890 4.170 -0.003 0.000 0.248 769 I C 2.264 178.275 176.117 -0.177 0.000 1.111 769 I CA 1.134 62.157 61.300 -0.462 0.000 1.382 769 I CB -0.307 37.422 38.000 -0.453 0.000 1.060 769 I HN 0.295 nan 8.210 nan 0.000 0.418 770 L N 0.039 121.173 121.223 -0.149 0.000 2.156 770 L HA -0.148 4.190 4.340 -0.003 0.000 0.208 770 L C 2.253 179.088 176.870 -0.058 0.000 1.095 770 L CA 1.041 55.824 54.840 -0.095 0.000 0.770 770 L CB -0.703 41.296 42.059 -0.100 0.000 0.914 770 L HN 0.343 nan 8.230 nan 0.000 0.439 771 N N -0.448 118.215 118.700 -0.061 0.000 2.084 771 N HA -0.161 4.577 4.740 -0.003 0.000 0.190 771 N C 1.708 177.238 175.510 0.034 0.000 1.030 771 N CA 1.941 54.982 53.050 -0.016 0.000 0.849 771 N CB -0.100 38.369 38.487 -0.030 0.000 1.012 771 N HN 0.300 nan 8.380 nan 0.000 0.423 772 T N 1.252 115.836 114.554 0.049 0.000 2.684 772 T HA -0.106 4.242 4.350 -0.003 0.000 0.267 772 T C 2.048 176.777 174.700 0.047 0.000 1.036 772 T CA 1.379 63.526 62.100 0.078 0.000 1.148 772 T CB -0.274 68.682 68.868 0.147 0.000 0.863 772 T HN 0.333 nan 8.240 nan 0.000 0.436 773 A N 1.434 124.263 122.820 0.016 0.000 1.930 773 A HA -0.049 4.269 4.320 -0.003 0.000 0.217 773 A C 2.260 179.854 177.584 0.017 0.000 1.175 773 A CA 1.218 53.258 52.037 0.004 0.000 0.627 773 A CB -0.334 18.652 19.000 -0.023 0.000 0.815 773 A HN 0.427 nan 8.150 nan 0.000 0.443 774 R N -1.770 118.745 120.500 0.026 0.000 2.317 774 R HA 0.131 4.469 4.340 -0.003 0.000 0.208 774 R C 0.518 176.869 176.300 0.086 0.000 0.914 774 R CA 0.267 56.389 56.100 0.036 0.000 1.060 774 R CB -0.169 30.145 30.300 0.023 0.000 1.015 774 R HN 0.457 nan 8.270 nan 0.000 0.498 775 C N 0.578 119.963 119.300 0.141 0.000 2.525 775 C HA 0.204 4.662 4.460 -0.003 0.000 0.313 775 C C 2.134 177.239 174.990 0.193 0.000 1.311 775 C CA -0.540 58.662 59.018 0.305 0.000 1.725 775 C CB -0.745 27.219 27.740 0.373 0.000 1.926 775 C HN 0.652 nan 8.230 nan 0.000 0.595 776 G N 1.939 110.773 108.800 0.056 0.000 2.450 776 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.220 776 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.220 776 G C 1.576 176.440 174.900 -0.059 0.000 1.130 776 G CA 1.157 46.274 45.100 0.029 0.000 0.760 776 G HN 0.704 nan 8.290 nan 0.000 0.557 777 M N -1.436 118.012 119.600 -0.253 0.000 2.632 777 M HA 0.305 4.783 4.480 -0.003 0.000 0.256 777 M C 1.020 177.052 176.300 -0.448 0.000 1.080 777 M CA 1.010 56.074 55.300 -0.393 0.000 1.084 777 M CB -0.258 32.008 32.600 -0.558 0.000 1.439 777 M HN 0.011 nan 8.290 nan 0.000 0.509 778 F N 0.987 120.966 119.950 0.049 0.000 2.731 778 F HA 0.312 4.836 4.527 -0.004 0.000 0.304 778 F C 1.296 177.147 175.800 0.086 0.000 1.133 778 F CA -0.477 57.559 58.000 0.060 0.000 1.380 778 F CB -0.597 38.428 39.000 0.042 0.000 1.079 778 F HN 0.144 nan 8.300 nan 0.000 0.550 779 S N 0.122 115.922 115.700 0.167 0.000 2.548 779 S HA 0.091 4.559 4.470 -0.003 0.000 0.277 779 S C 1.500 176.202 174.600 0.170 0.000 1.315 779 S CA -0.023 58.276 58.200 0.165 0.000 1.050 779 S CB 0.705 63.971 63.200 0.109 0.000 0.918 779 S HN 0.354 nan 8.310 nan 0.000 0.497 780 S N 3.260 119.093 115.700 0.222 0.000 2.507 780 S HA -0.087 4.381 4.470 -0.003 0.000 0.235 780 S C 0.987 175.658 174.600 0.117 0.000 0.988 780 S CA 0.803 59.168 58.200 0.276 0.000 0.944 780 S CB -0.368 63.096 63.200 0.439 0.000 0.762 780 S HN 0.783 nan 8.310 nan 0.000 0.526 781 D N 1.895 122.343 120.400 0.081 0.000 2.117 781 D HA -0.077 4.561 4.640 -0.003 0.000 0.197 781 D C 2.103 178.403 176.300 -0.000 0.000 0.987 781 D CA 0.811 54.827 54.000 0.026 0.000 0.829 781 D CB -0.325 40.488 40.800 0.020 0.000 0.961 781 D HN 0.270 nan 8.370 nan 0.000 0.460 782 R N 0.940 121.445 120.500 0.008 0.000 2.075 782 R HA -0.042 4.296 4.340 -0.003 0.000 0.232 782 R C 2.045 178.321 176.300 -0.040 0.000 1.126 782 R CA 0.941 57.027 56.100 -0.023 0.000 0.963 782 R CB -0.403 29.875 30.300 -0.036 0.000 0.858 782 R HN 0.046 nan 8.270 nan 0.000 0.435 783 S N 1.244 116.940 115.700 -0.007 0.000 2.359 783 S HA -0.130 4.338 4.470 -0.003 0.000 0.224 783 S C 1.982 176.506 174.600 -0.128 0.000 1.035 783 S CA 1.251 59.431 58.200 -0.033 0.000 1.018 783 S CB -0.197 63.061 63.200 0.097 0.000 0.876 783 S HN 0.220 nan 8.310 nan 0.000 0.448 784 I N 1.461 121.913 120.570 -0.196 0.000 2.226 784 I HA -0.094 4.074 4.170 -0.003 0.000 0.245 784 I C 2.400 178.475 176.117 -0.070 0.000 1.100 784 I CA 1.312 62.517 61.300 -0.158 0.000 1.374 784 I CB -1.163 36.792 38.000 -0.075 0.000 1.057 784 I HN 0.130 nan 8.210 nan 0.000 0.413 785 R N 1.185 121.651 120.500 -0.057 0.000 2.105 785 R HA -0.159 4.179 4.340 -0.003 0.000 0.239 785 R C 1.848 178.089 176.300 -0.098 0.000 1.135 785 R CA 1.197 57.268 56.100 -0.048 0.000 0.967 785 R CB -0.804 29.472 30.300 -0.039 0.000 0.861 785 R HN 0.359 nan 8.270 nan 0.000 0.442 786 D N -1.156 119.155 120.400 -0.148 0.000 2.117 786 D HA -0.136 4.502 4.640 -0.003 0.000 0.198 786 D C 1.762 177.850 176.300 -0.354 0.000 0.982 786 D CA 1.128 54.993 54.000 -0.225 0.000 0.828 786 D CB -0.266 40.383 40.800 -0.251 0.000 0.967 786 D HN 0.223 nan 8.370 nan 0.000 0.464 787 Y N 1.394 121.382 120.300 -0.521 0.000 2.224 787 Y HA -0.149 4.400 4.550 -0.003 0.000 0.289 787 Y C 2.585 178.044 175.900 -0.735 0.000 1.146 787 Y CA 1.187 58.728 58.100 -0.931 0.000 1.182 787 Y CB -0.179 37.168 38.460 -1.855 0.000 0.983 787 Y HN 0.042 nan 8.280 nan 0.000 0.524 788 Q N -0.753 118.929 119.800 -0.197 0.000 2.050 788 Q HA -0.186 4.152 4.340 -0.003 0.000 0.202 788 Q C 2.577 178.573 176.000 -0.007 0.000 0.980 788 Q CA 1.430 57.267 55.803 0.057 0.000 0.840 788 Q CB -0.356 28.449 28.738 0.112 0.000 0.898 788 Q HN 0.513 nan 8.270 nan 0.000 0.424 789 A N 1.149 123.927 122.820 -0.069 0.000 1.898 789 A HA -0.157 4.161 4.320 -0.003 0.000 0.216 789 A C 1.967 179.501 177.584 -0.083 0.000 1.181 789 A CA 1.282 53.284 52.037 -0.059 0.000 0.620 789 A CB -0.252 18.711 19.000 -0.062 0.000 0.819 789 A HN 0.199 nan 8.150 nan 0.000 0.442 790 R N -1.402 118.992 120.500 -0.178 0.000 2.173 790 R HA 0.321 4.659 4.340 -0.003 0.000 0.208 790 R C 1.241 177.370 176.300 -0.284 0.000 1.035 790 R CA 1.233 57.191 56.100 -0.237 0.000 1.004 790 R CB -0.025 30.065 30.300 -0.350 0.000 0.917 790 R HN 0.554 nan 8.270 nan 0.000 0.462 791 I N -2.470 117.962 120.570 -0.230 0.000 3.620 791 I HA 0.020 4.188 4.170 -0.003 0.000 0.255 791 I C 1.331 177.595 176.117 0.244 0.000 1.124 791 I CA -0.249 61.026 61.300 -0.041 0.000 1.526 791 I CB -0.195 37.658 38.000 -0.244 0.000 1.681 791 I HN 0.026 nan 8.210 nan 0.000 0.420 792 W N 2.067 123.460 121.300 0.156 0.000 2.358 792 W HA -0.074 4.585 4.660 -0.002 0.000 0.303 792 W C 1.806 178.356 176.519 0.051 0.000 1.208 792 W CA 0.758 58.185 57.345 0.137 0.000 1.274 792 W CB -0.749 28.775 29.460 0.107 0.000 1.138 792 W HN 0.262 nan 8.180 nan 0.000 0.515 793 Q N -1.042 118.892 119.800 0.222 0.000 2.179 793 Q HA 0.341 4.679 4.340 -0.003 0.000 0.213 793 Q C 0.576 176.600 176.000 0.041 0.000 0.833 793 Q CA 0.001 55.867 55.803 0.106 0.000 0.990 793 Q CB -0.041 28.754 28.738 0.095 0.000 1.132 793 Q HN -0.007 nan 8.270 nan 0.000 0.493 794 A N 1.403 124.247 122.820 0.040 0.000 2.346 794 A HA 0.304 4.622 4.320 -0.003 0.000 0.252 794 A C 0.217 177.782 177.584 -0.032 0.000 1.089 794 A CA -0.308 51.736 52.037 0.012 0.000 0.797 794 A CB 0.365 19.386 19.000 0.035 0.000 1.047 794 A HN 0.132 nan 8.150 nan 0.000 0.494 795 K N 0.982 121.367 120.400 -0.025 0.000 2.322 795 K HA 0.204 4.522 4.320 -0.003 0.000 0.283 795 K C 0.249 176.807 176.600 -0.071 0.000 1.042 795 K CA -0.279 55.978 56.287 -0.049 0.000 0.958 795 K CB 0.470 32.956 32.500 -0.024 0.000 0.984 795 K HN 0.680 nan 8.250 nan 0.000 0.473 796 R N 0.000 120.421 120.500 -0.131 0.000 2.786 796 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 796 R CA 0.000 55.996 56.100 -0.173 0.000 0.921 796 R CB 0.000 30.131 30.300 -0.282 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535