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 2wmz_1_B DATA FIRST_RESID 1 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GYSVGTSTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.699 176.600 0.165 0.000 1.382 1 E CA 0.000 56.515 56.400 0.192 0.000 0.976 1 E CB 0.000 29.848 29.700 0.246 0.000 0.812 2 N N -0.320 118.451 118.700 0.119 0.000 2.671 2 N HA 0.366 5.106 4.740 0.001 0.000 0.303 2 N C 0.392 175.833 175.510 -0.114 0.000 1.277 2 N CA -0.760 52.347 53.050 0.095 0.000 0.933 2 N CB 0.222 38.740 38.487 0.053 0.000 1.190 2 N HN 0.458 nan 8.380 nan 0.000 0.600 3 L N -0.663 120.248 121.223 -0.520 0.000 1.990 3 L HA -0.023 4.317 4.340 0.001 0.000 0.213 3 L C 2.000 178.666 176.870 -0.340 0.000 1.072 3 L CA 1.909 56.219 54.840 -0.883 0.000 0.755 3 L CB -0.903 40.557 42.059 -0.999 0.000 0.889 3 L HN 0.839 nan 8.230 nan 0.000 0.432 4 M N -1.044 118.445 119.600 -0.185 0.000 2.358 4 M HA -0.179 4.301 4.480 0.001 0.000 0.264 4 M C 1.979 178.303 176.300 0.040 0.000 1.064 4 M CA 1.601 56.873 55.300 -0.048 0.000 1.093 4 M CB -0.327 32.252 32.600 -0.036 0.000 1.401 4 M HN 0.461 nan 8.290 nan 0.000 0.440 5 Q N -1.841 117.970 119.800 0.018 0.000 2.200 5 Q HA 0.025 4.366 4.340 0.001 0.000 0.197 5 Q C 1.956 178.001 176.000 0.074 0.000 0.953 5 Q CA 1.186 57.025 55.803 0.059 0.000 0.851 5 Q CB -0.115 28.669 28.738 0.077 0.000 0.938 5 Q HN 0.344 nan 8.270 nan 0.000 0.488 6 V N 0.956 120.897 119.914 0.046 0.000 2.380 6 V HA -0.298 3.822 4.120 0.001 0.000 0.251 6 V C 1.995 178.113 176.094 0.039 0.000 1.063 6 V CA 2.007 64.329 62.300 0.037 0.000 1.055 6 V CB -0.696 31.010 31.823 -0.195 0.000 0.657 6 V HN 0.385 nan 8.190 nan 0.000 0.455 7 Y N 1.280 121.522 120.300 -0.096 0.000 2.089 7 Y HA -0.281 4.269 4.550 0.000 0.000 0.282 7 Y C 2.647 178.526 175.900 -0.036 0.000 1.139 7 Y CA 2.083 60.132 58.100 -0.085 0.000 1.123 7 Y CB -0.550 37.840 38.460 -0.117 0.000 0.980 7 Y HN 0.256 nan 8.280 nan 0.000 0.493 8 Q N -0.072 119.611 119.800 -0.195 0.000 2.181 8 Q HA -0.273 4.068 4.340 0.001 0.000 0.205 8 Q C 2.215 178.098 176.000 -0.194 0.000 0.980 8 Q CA 2.018 57.667 55.803 -0.257 0.000 0.862 8 Q CB -0.208 28.507 28.738 -0.038 0.000 0.905 8 Q HN 0.658 nan 8.270 nan 0.000 0.429 9 Q N -0.853 118.893 119.800 -0.090 0.000 2.291 9 Q HA -0.065 4.276 4.340 0.001 0.000 0.205 9 Q C 1.712 177.664 176.000 -0.080 0.000 0.970 9 Q CA 1.029 56.806 55.803 -0.043 0.000 0.876 9 Q CB 0.113 28.882 28.738 0.051 0.000 0.935 9 Q HN 0.376 nan 8.270 nan 0.000 0.455 10 A N 0.559 123.291 122.820 -0.145 0.000 1.956 10 A HA -0.022 4.299 4.320 0.001 0.000 0.212 10 A C 1.874 179.333 177.584 -0.208 0.000 1.188 10 A CA 0.255 52.206 52.037 -0.143 0.000 0.675 10 A CB -0.145 18.787 19.000 -0.114 0.000 0.845 10 A HN 0.125 nan 8.150 nan 0.000 0.455 11 R N 0.028 120.296 120.500 -0.387 0.000 2.293 11 R HA 0.012 4.353 4.340 0.001 0.000 0.219 11 R C 0.338 176.535 176.300 -0.172 0.000 1.091 11 R CA 0.894 56.783 56.100 -0.353 0.000 1.004 11 R CB -0.232 29.717 30.300 -0.586 0.000 0.865 11 R HN 0.517 nan 8.270 nan 0.000 0.469 12 L N -0.236 120.904 121.223 -0.138 0.000 2.857 12 L HA 0.188 4.529 4.340 0.001 0.000 0.249 12 L C 0.802 177.639 176.870 -0.056 0.000 1.172 12 L CA 0.085 54.879 54.840 -0.077 0.000 0.980 12 L CB 0.864 42.882 42.059 -0.067 0.000 1.299 12 L HN 0.159 nan 8.230 nan 0.000 0.535 13 S N -3.593 112.071 115.700 -0.060 0.000 2.483 13 S HA 0.008 4.479 4.470 0.001 0.000 0.280 13 S C 0.559 175.137 174.600 -0.036 0.000 1.059 13 S CA -0.447 57.727 58.200 -0.042 0.000 1.359 13 S CB -0.152 63.021 63.200 -0.044 0.000 1.171 13 S HN 0.260 nan 8.310 nan 0.000 0.625 14 N N 4.823 123.496 118.700 -0.044 0.000 2.417 14 N HA 0.091 4.831 4.740 0.001 0.000 0.272 14 N C -1.326 174.178 175.510 -0.010 0.000 1.304 14 N CA -0.566 52.465 53.050 -0.030 0.000 0.906 14 N CB 1.135 39.600 38.487 -0.036 0.000 1.135 14 N HN 0.244 nan 8.380 nan 0.000 0.483 15 P HA -0.106 nan 4.420 nan 0.000 0.222 15 P C 0.341 177.650 177.300 0.014 0.000 1.147 15 P CA 1.166 64.267 63.100 0.002 0.000 0.790 15 P CB 0.594 32.292 31.700 -0.003 0.000 0.780 16 E N -0.156 120.052 120.200 0.013 0.000 2.051 16 E HA -0.060 4.290 4.350 0.001 0.000 0.189 16 E C 1.977 178.603 176.600 0.043 0.000 0.979 16 E CA 0.525 56.938 56.400 0.022 0.000 0.803 16 E CB -1.181 28.526 29.700 0.012 0.000 0.761 16 E HN 0.111 nan 8.360 nan 0.000 0.451 17 L N 0.696 121.943 121.223 0.040 0.000 2.141 17 L HA -0.066 4.274 4.340 0.001 0.000 0.209 17 L C 1.814 178.781 176.870 0.163 0.000 1.094 17 L CA 1.589 56.474 54.840 0.075 0.000 0.763 17 L CB -0.027 42.047 42.059 0.024 0.000 0.908 17 L HN -0.069 nan 8.230 nan 0.000 0.437 18 R N -0.739 119.818 120.500 0.095 0.000 2.073 18 R HA -0.104 4.236 4.340 0.001 0.000 0.229 18 R C 2.277 178.618 176.300 0.069 0.000 1.120 18 R CA 0.933 57.081 56.100 0.081 0.000 0.967 18 R CB -0.422 29.898 30.300 0.034 0.000 0.862 18 R HN 0.143 nan 8.270 nan 0.000 0.436 19 K N 0.743 121.178 120.400 0.059 0.000 2.063 19 K HA -0.135 4.186 4.320 0.001 0.000 0.208 19 K C 2.063 178.705 176.600 0.070 0.000 1.048 19 K CA 1.778 58.093 56.287 0.047 0.000 0.928 19 K CB -0.266 32.257 32.500 0.038 0.000 0.713 19 K HN 0.089 nan 8.250 nan 0.000 0.442 20 S N -0.012 115.764 115.700 0.126 0.000 2.399 20 S HA -0.086 4.384 4.470 0.001 0.000 0.231 20 S C 1.944 176.650 174.600 0.177 0.000 1.022 20 S CA 1.280 59.599 58.200 0.198 0.000 0.983 20 S CB -0.165 63.209 63.200 0.291 0.000 0.803 20 S HN 0.414 nan 8.310 nan 0.000 0.480 21 A N 1.689 124.571 122.820 0.104 0.000 1.841 21 A HA 0.236 4.556 4.320 0.001 0.000 0.214 21 A C 2.531 180.011 177.584 -0.173 0.000 1.195 21 A CA 1.803 53.668 52.037 -0.287 0.000 0.611 21 A CB -1.624 17.277 19.000 -0.165 0.000 0.835 21 A HN 0.837 nan 8.150 nan 0.000 0.443 22 A N -0.277 122.505 122.820 -0.064 0.000 2.032 22 A HA -0.229 4.092 4.320 0.001 0.000 0.221 22 A C 1.664 179.237 177.584 -0.018 0.000 1.165 22 A CA 2.135 54.149 52.037 -0.039 0.000 0.645 22 A CB -0.621 18.371 19.000 -0.014 0.000 0.807 22 A HN 0.495 nan 8.150 nan 0.000 0.453 23 D N -1.179 119.221 120.400 0.000 0.000 2.194 23 D HA -0.076 4.565 4.640 0.001 0.000 0.204 23 D C 2.079 178.401 176.300 0.036 0.000 0.964 23 D CA 0.883 54.898 54.000 0.024 0.000 0.846 23 D CB -0.256 40.571 40.800 0.046 0.000 0.962 23 D HN 0.535 nan 8.370 nan 0.000 0.490 24 R N 0.761 121.269 120.500 0.013 0.000 2.093 24 R HA -0.099 4.241 4.340 0.001 0.000 0.224 24 R C 0.995 177.377 176.300 0.136 0.000 1.101 24 R CA 1.049 57.197 56.100 0.080 0.000 0.979 24 R CB 0.132 30.401 30.300 -0.052 0.000 0.877 24 R HN -0.024 nan 8.270 nan 0.000 0.441 25 D N 0.804 121.206 120.400 0.004 0.000 2.097 25 D HA -0.130 4.511 4.640 0.001 0.000 0.195 25 D C 1.778 178.121 176.300 0.072 0.000 0.989 25 D CA 1.627 55.636 54.000 0.015 0.000 0.827 25 D CB -0.346 40.426 40.800 -0.047 0.000 0.966 25 D HN 0.344 nan 8.370 nan 0.000 0.456 26 A N 1.208 124.054 122.820 0.043 0.000 1.883 26 A HA -0.089 4.231 4.320 0.001 0.000 0.217 26 A C 2.350 179.960 177.584 0.044 0.000 1.186 26 A CA 2.551 54.608 52.037 0.033 0.000 0.624 26 A CB -0.974 18.035 19.000 0.015 0.000 0.822 26 A HN 0.233 nan 8.150 nan 0.000 0.444 27 A N -1.303 121.548 122.820 0.052 0.000 1.927 27 A HA -0.124 4.197 4.320 0.001 0.000 0.220 27 A C 1.986 179.529 177.584 -0.069 0.000 1.185 27 A CA 1.877 53.907 52.037 -0.012 0.000 0.639 27 A CB -0.758 18.232 19.000 -0.017 0.000 0.820 27 A HN 0.501 nan 8.150 nan 0.000 0.451 28 F N -0.703 119.230 119.950 -0.028 0.000 2.187 28 F HA 0.012 4.539 4.527 0.001 0.000 0.295 28 F C 2.324 178.108 175.800 -0.025 0.000 1.091 28 F CA 1.403 59.389 58.000 -0.025 0.000 1.308 28 F CB -0.289 38.693 39.000 -0.030 0.000 1.030 28 F HN 0.290 nan 8.300 nan 0.000 0.487 29 E N 1.187 121.475 120.200 0.147 0.000 2.160 29 E HA -0.244 4.106 4.350 0.001 0.000 0.195 29 E C 1.980 178.595 176.600 0.025 0.000 0.991 29 E CA 1.396 57.837 56.400 0.069 0.000 0.810 29 E CB -0.331 29.393 29.700 0.040 0.000 0.742 29 E HN 0.271 nan 8.360 nan 0.000 0.466 30 K N 0.043 120.445 120.400 0.004 0.000 2.211 30 K HA -0.046 4.275 4.320 0.001 0.000 0.203 30 K C 1.944 178.518 176.600 -0.043 0.000 1.050 30 K CA 1.040 57.311 56.287 -0.027 0.000 0.945 30 K CB -0.181 32.294 32.500 -0.042 0.000 0.732 30 K HN 0.239 nan 8.250 nan 0.000 0.451 31 I N 1.278 121.819 120.570 -0.048 0.000 2.502 31 I HA -0.329 3.841 4.170 0.001 0.000 0.258 31 I C 1.524 177.617 176.117 -0.039 0.000 1.172 31 I CA 1.268 62.535 61.300 -0.055 0.000 1.430 31 I CB -0.451 37.521 38.000 -0.046 0.000 1.086 31 I HN 0.343 nan 8.210 nan 0.000 0.440 32 N N 0.658 119.344 118.700 -0.023 0.000 2.062 32 N HA -0.232 4.509 4.740 0.001 0.000 0.191 32 N C 1.867 177.348 175.510 -0.048 0.000 1.042 32 N CA 1.018 54.051 53.050 -0.029 0.000 0.845 32 N CB -0.152 38.327 38.487 -0.015 0.000 1.024 32 N HN 0.319 nan 8.380 nan 0.000 0.424 33 E N 0.919 121.092 120.200 -0.044 0.000 2.219 33 E HA -0.238 4.112 4.350 0.001 0.000 0.198 33 E C 1.752 178.310 176.600 -0.071 0.000 0.998 33 E CA 1.031 57.399 56.400 -0.052 0.000 0.818 33 E CB -0.010 29.665 29.700 -0.043 0.000 0.741 33 E HN 0.399 nan 8.360 nan 0.000 0.477 34 A N 1.233 124.007 122.820 -0.076 0.000 1.897 34 A HA -0.153 4.167 4.320 0.001 0.000 0.215 34 A C 2.180 179.684 177.584 -0.132 0.000 1.181 34 A CA 1.477 53.457 52.037 -0.094 0.000 0.620 34 A CB -0.433 18.516 19.000 -0.084 0.000 0.821 34 A HN 0.265 nan 8.150 nan 0.000 0.443 35 R N -0.369 120.053 120.500 -0.130 0.000 2.119 35 R HA -0.052 4.288 4.340 0.001 0.000 0.222 35 R C 2.260 178.451 176.300 -0.180 0.000 1.088 35 R CA 1.487 57.478 56.100 -0.183 0.000 0.984 35 R CB -0.415 29.805 30.300 -0.134 0.000 0.884 35 R HN 0.433 nan 8.270 nan 0.000 0.447 36 S N 1.061 116.687 115.700 -0.123 0.000 2.425 36 S HA -0.150 4.320 4.470 0.001 0.000 0.256 36 S C -0.882 173.644 174.600 -0.123 0.000 1.101 36 S CA 2.020 60.158 58.200 -0.104 0.000 1.188 36 S CB -1.041 62.112 63.200 -0.078 0.000 1.085 36 S HN 0.345 nan 8.310 nan 0.000 0.439 37 P HA 0.004 nan 4.420 nan 0.000 0.223 37 P C 1.054 178.240 177.300 -0.190 0.000 1.144 37 P CA 0.876 63.886 63.100 -0.149 0.000 0.783 37 P CB -0.147 31.461 31.700 -0.153 0.000 0.771 38 L N -2.234 118.830 121.223 -0.265 0.000 2.599 38 L HA 0.074 4.415 4.340 0.001 0.000 0.230 38 L C 1.057 177.817 176.870 -0.182 0.000 1.141 38 L CA 0.166 54.811 54.840 -0.324 0.000 0.877 38 L CB -0.293 41.410 42.059 -0.594 0.000 1.009 38 L HN 0.014 nan 8.230 nan 0.000 0.447 39 L N -0.858 120.287 121.223 -0.130 0.000 2.335 39 L HA 0.455 4.796 4.340 0.001 0.000 0.268 39 L C -2.202 174.637 176.870 -0.051 0.000 1.016 39 L CA -2.159 52.636 54.840 -0.075 0.000 0.805 39 L CB 0.597 42.618 42.059 -0.064 0.000 1.311 39 L HN -0.296 nan 8.230 nan 0.000 0.456 40 P HA -0.005 nan 4.420 nan 0.000 0.264 40 P C -1.204 176.082 177.300 -0.023 0.000 1.193 40 P CA 0.137 63.225 63.100 -0.019 0.000 0.763 40 P CB 0.337 32.031 31.700 -0.009 0.000 0.810 41 Q N 2.742 122.530 119.800 -0.020 0.000 2.381 41 Q HA 0.388 4.729 4.340 0.001 0.000 0.263 41 Q C -0.954 175.038 176.000 -0.013 0.000 1.030 41 Q CA -0.706 55.084 55.803 -0.021 0.000 0.772 41 Q CB 1.811 30.534 28.738 -0.025 0.000 1.232 41 Q HN 0.339 nan 8.270 nan 0.000 0.476 42 L N 1.704 122.921 121.223 -0.011 0.000 2.296 42 L HA 0.809 5.150 4.340 0.001 0.000 0.286 42 L C -0.181 176.685 176.870 -0.007 0.000 1.023 42 L CA -0.071 54.765 54.840 -0.007 0.000 0.812 42 L CB 1.729 43.785 42.059 -0.005 0.000 1.223 42 L HN 0.594 nan 8.230 nan 0.000 0.421 43 G N 3.893 112.691 108.800 -0.004 0.000 2.642 43 G HA2 0.602 4.563 3.960 0.001 0.000 0.293 43 G HA3 0.602 4.563 3.960 0.001 0.000 0.293 43 G C -2.312 172.587 174.900 -0.001 0.000 1.341 43 G CA -0.610 44.488 45.100 -0.004 0.000 0.916 43 G HN 0.562 nan 8.290 nan 0.000 0.474 44 L N 0.779 122.002 121.223 0.000 0.000 2.362 44 L HA 0.879 5.220 4.340 0.001 0.000 0.275 44 L C 0.236 177.108 176.870 0.004 0.000 0.998 44 L CA -0.361 54.481 54.840 0.002 0.000 0.820 44 L CB 1.748 43.809 42.059 0.003 0.000 1.270 44 L HN 0.833 nan 8.230 nan 0.000 0.415 45 G N 3.132 111.935 108.800 0.006 0.000 2.533 45 G HA2 0.889 4.849 3.960 0.001 0.000 0.304 45 G HA3 0.889 4.849 3.960 0.001 0.000 0.304 45 G C -1.810 173.098 174.900 0.012 0.000 1.263 45 G CA -0.291 44.813 45.100 0.008 0.000 0.964 45 G HN 1.083 nan 8.290 nan 0.000 0.479 46 A N 1.208 124.038 122.820 0.017 0.000 2.530 46 A HA 0.666 4.986 4.320 0.001 0.000 0.297 46 A C -1.524 176.083 177.584 0.038 0.000 1.059 46 A CA -0.715 51.338 52.037 0.026 0.000 0.782 46 A CB 1.453 20.469 19.000 0.028 0.000 1.301 46 A HN 0.540 nan 8.150 nan 0.000 0.394 47 D N 0.072 120.498 120.400 0.043 0.000 2.493 47 D HA 0.578 5.218 4.640 0.001 0.000 0.239 47 D C -1.562 174.800 176.300 0.103 0.000 1.049 47 D CA 0.014 54.051 54.000 0.062 0.000 1.008 47 D CB 2.382 43.198 40.800 0.027 0.000 1.398 47 D HN 0.546 nan 8.370 nan 0.000 0.513 48 Y N 0.030 120.329 120.300 -0.001 0.000 2.361 48 Y HA 0.339 4.889 4.550 0.001 0.000 0.328 48 Y C -1.490 174.417 175.900 0.012 0.000 1.044 48 Y CA -0.233 57.869 58.100 0.003 0.000 1.085 48 Y CB 1.866 40.331 38.460 0.008 0.000 1.194 48 Y HN 0.143 nan 8.280 nan 0.000 0.438 49 T N 6.234 120.509 114.554 -0.466 0.000 2.949 49 T HA 0.174 4.525 4.350 0.001 0.000 0.300 49 T C -1.787 172.744 174.700 -0.282 0.000 0.988 49 T CA -0.484 61.491 62.100 -0.208 0.000 0.993 49 T CB 0.516 69.303 68.868 -0.135 0.000 0.984 49 T HN 0.535 nan 8.240 nan 0.000 0.442 50 Y N 2.953 123.186 120.300 -0.112 0.000 2.367 50 Y HA 0.580 5.131 4.550 0.001 0.000 0.342 50 Y C -0.123 175.749 175.900 -0.047 0.000 0.979 50 Y CA -0.354 57.706 58.100 -0.066 0.000 1.161 50 Y CB 0.597 39.116 38.460 0.099 0.000 1.155 50 Y HN 0.562 nan 8.280 nan 0.000 0.503 51 S N 5.742 120.952 115.700 -0.816 0.000 2.608 51 S HA 0.366 4.836 4.470 0.001 0.000 0.291 51 S C -0.850 173.262 174.600 -0.813 0.000 1.146 51 S CA -1.020 56.821 58.200 -0.599 0.000 1.043 51 S CB 0.848 63.832 63.200 -0.360 0.000 1.037 51 S HN 0.813 nan 8.310 nan 0.000 0.520 52 N N 0.974 119.463 118.700 -0.351 0.000 2.701 52 N HA 0.233 4.973 4.740 0.001 0.000 0.258 52 N C -0.173 175.317 175.510 -0.034 0.000 1.262 52 N CA -0.412 52.550 53.050 -0.145 0.000 0.780 52 N CB 0.599 39.156 38.487 0.117 0.000 1.380 52 N HN 0.733 nan 8.380 nan 0.000 0.548 53 G N 1.569 110.322 108.800 -0.078 0.000 2.554 53 G HA2 0.101 4.061 3.960 0.001 0.000 0.238 53 G HA3 0.101 4.061 3.960 0.001 0.000 0.238 53 G C -0.251 174.668 174.900 0.032 0.000 1.259 53 G CA 0.245 45.288 45.100 -0.096 0.000 0.843 53 G HN 0.733 nan 8.290 nan 0.000 0.582 54 Y N -1.268 119.031 120.300 -0.002 0.000 2.810 54 Y HA 0.552 5.102 4.550 0.001 0.000 0.244 54 Y C 0.671 176.576 175.900 0.008 0.000 1.092 54 Y CA -1.206 56.899 58.100 0.008 0.000 1.130 54 Y CB -0.243 38.226 38.460 0.014 0.000 1.219 54 Y HN 0.530 nan 8.280 nan 0.000 0.616 55 R N -0.427 120.139 120.500 0.111 0.000 2.905 55 R HA 0.189 4.529 4.340 0.001 0.000 0.092 55 R C 0.098 176.422 176.300 0.041 0.000 0.620 55 R CA 0.050 56.211 56.100 0.102 0.000 0.438 55 R CB -0.323 30.021 30.300 0.073 0.000 0.367 55 R HN -0.010 nan 8.270 nan 0.000 0.325 56 D N 1.318 121.724 120.400 0.010 0.000 2.310 56 D HA -0.006 4.635 4.640 0.001 0.000 0.212 56 D C 1.099 177.399 176.300 -0.001 0.000 0.965 56 D CA 1.126 55.131 54.000 0.007 0.000 0.879 56 D CB 0.047 40.847 40.800 -0.001 0.000 0.921 56 D HN 0.413 nan 8.370 nan 0.000 0.510 57 A N 0.034 122.837 122.820 -0.028 0.000 2.275 57 A HA -0.014 4.306 4.320 0.001 0.000 0.212 57 A C 1.129 178.701 177.584 -0.019 0.000 1.201 57 A CA -0.297 51.713 52.037 -0.045 0.000 0.843 57 A CB -0.241 18.695 19.000 -0.106 0.000 0.873 57 A HN 0.062 nan 8.150 nan 0.000 0.492 58 N N 0.492 119.204 118.700 0.020 0.000 2.345 58 N HA 0.099 4.840 4.740 0.001 0.000 0.243 58 N C 1.274 176.805 175.510 0.035 0.000 1.246 58 N CA 1.829 54.910 53.050 0.052 0.000 0.863 58 N CB 0.256 38.785 38.487 0.070 0.000 1.096 58 N HN 0.667 nan 8.380 nan 0.000 0.446 59 G N 2.250 111.074 108.800 0.040 0.000 2.189 59 G HA2 -0.251 3.709 3.960 0.001 0.000 0.267 59 G HA3 -0.251 3.709 3.960 0.001 0.000 0.267 59 G C 0.182 175.081 174.900 -0.001 0.000 0.975 59 G CA 0.624 45.743 45.100 0.032 0.000 0.644 59 G HN 0.619 nan 8.290 nan 0.000 0.537 60 I N 1.208 121.755 120.570 -0.037 0.000 2.355 60 I HA 0.389 4.560 4.170 0.001 0.000 0.288 60 I C -0.028 176.026 176.117 -0.106 0.000 0.999 60 I CA -0.669 60.560 61.300 -0.119 0.000 1.163 60 I CB 1.352 39.241 38.000 -0.184 0.000 1.316 60 I HN 0.129 nan 8.210 nan 0.000 0.454 61 N N 3.806 122.444 118.700 -0.104 0.000 2.469 61 N HA 0.767 5.508 4.740 0.001 0.000 0.286 61 N C -1.193 174.191 175.510 -0.210 0.000 1.275 61 N CA -0.798 52.149 53.050 -0.171 0.000 0.790 61 N CB 2.371 40.818 38.487 -0.066 0.000 1.446 61 N HN 0.645 nan 8.380 nan 0.000 0.501 62 S N -0.061 115.404 115.700 -0.392 0.000 2.565 62 S HA 0.477 4.948 4.470 0.001 0.000 0.269 62 S C -1.767 172.580 174.600 -0.422 0.000 1.153 62 S CA -1.032 56.899 58.200 -0.448 0.000 0.835 62 S CB 1.502 64.347 63.200 -0.592 0.000 1.122 62 S HN 0.549 nan 8.310 nan 0.000 0.462 63 N N 0.447 118.929 118.700 -0.363 0.000 2.576 63 N HA 0.717 5.457 4.740 0.001 0.000 0.269 63 N C -1.006 174.276 175.510 -0.381 0.000 1.058 63 N CA -0.184 52.680 53.050 -0.310 0.000 0.860 63 N CB 1.779 40.201 38.487 -0.108 0.000 1.249 63 N HN 0.982 nan 8.380 nan 0.000 0.525 64 A N 1.129 123.681 122.820 -0.447 0.000 2.340 64 A HA 0.874 5.194 4.320 0.001 0.000 0.331 64 A C -0.204 177.162 177.584 -0.363 0.000 1.140 64 A CA -0.572 51.258 52.037 -0.344 0.000 0.801 64 A CB 0.829 19.662 19.000 -0.278 0.000 1.234 64 A HN 0.458 nan 8.150 nan 0.000 0.469 65 T N -0.908 113.525 114.554 -0.202 0.000 3.071 65 T HA 0.694 5.044 4.350 0.001 0.000 0.311 65 T C -0.353 174.318 174.700 -0.049 0.000 1.042 65 T CA -0.017 62.020 62.100 -0.106 0.000 1.028 65 T CB 0.961 69.826 68.868 -0.005 0.000 1.068 65 T HN 1.407 nan 8.240 nan 0.000 0.451 66 S N 1.505 117.190 115.700 -0.025 0.000 2.715 66 S HA 0.973 5.443 4.470 0.001 0.000 0.307 66 S C -0.410 174.193 174.600 0.006 0.000 1.119 66 S CA -0.847 57.345 58.200 -0.013 0.000 0.937 66 S CB 1.753 64.942 63.200 -0.019 0.000 1.150 66 S HN 2.043 nan 8.310 nan 0.000 0.521 67 A N 1.239 124.062 122.820 0.005 0.000 2.480 67 A HA 0.586 4.907 4.320 0.001 0.000 0.302 67 A C -0.257 177.331 177.584 0.007 0.000 1.151 67 A CA -0.446 51.597 52.037 0.010 0.000 0.907 67 A CB -0.045 18.963 19.000 0.014 0.000 1.487 67 A HN 1.427 nan 8.150 nan 0.000 0.396 68 S N 0.816 116.519 115.700 0.005 0.000 2.687 68 S HA 0.845 5.315 4.470 0.001 0.000 0.283 68 S C -0.466 174.137 174.600 0.005 0.000 1.170 68 S CA -0.682 57.520 58.200 0.005 0.000 1.008 68 S CB 1.764 64.966 63.200 0.004 0.000 1.026 68 S HN 1.473 nan 8.310 nan 0.000 0.541 69 L N 1.605 122.831 121.223 0.005 0.000 2.366 69 L HA 0.459 4.799 4.340 0.001 0.000 0.266 69 L C -0.666 176.207 176.870 0.004 0.000 1.010 69 L CA -0.094 54.749 54.840 0.004 0.000 0.879 69 L CB 1.121 43.183 42.059 0.004 0.000 1.228 69 L HN 0.829 nan 8.230 nan 0.000 0.439 70 Q N 3.781 123.583 119.800 0.003 0.000 2.222 70 Q HA 0.694 5.034 4.340 0.001 0.000 0.252 70 Q C -1.238 174.763 176.000 0.002 0.000 0.926 70 Q CA -0.509 55.296 55.803 0.003 0.000 0.899 70 Q CB 2.807 31.546 28.738 0.003 0.000 1.250 70 Q HN 0.652 nan 8.270 nan 0.000 0.441 71 L N 0.694 121.919 121.223 0.003 0.000 2.431 71 L HA 0.696 5.036 4.340 0.001 0.000 0.266 71 L C -1.289 175.583 176.870 0.003 0.000 0.978 71 L CA -0.323 54.519 54.840 0.002 0.000 0.822 71 L CB 2.313 44.374 42.059 0.004 0.000 1.310 71 L HN 0.774 nan 8.230 nan 0.000 0.409 72 T N 0.749 115.303 114.554 -0.001 0.000 2.907 72 T HA 0.721 5.072 4.350 0.001 0.000 0.292 72 T C -0.909 173.791 174.700 -0.001 0.000 1.043 72 T CA -0.696 61.405 62.100 0.000 0.000 1.003 72 T CB 1.938 70.803 68.868 -0.005 0.000 1.084 72 T HN 0.563 nan 8.240 nan 0.000 0.483 73 Q N 0.783 120.587 119.800 0.006 0.000 2.268 73 Q HA 0.514 4.855 4.340 0.001 0.000 0.266 73 Q C -1.075 174.937 176.000 0.019 0.000 1.006 73 Q CA -0.291 55.517 55.803 0.009 0.000 0.824 73 Q CB 2.342 31.093 28.738 0.021 0.000 1.306 73 Q HN 0.810 nan 8.270 nan 0.000 0.424 74 S N 4.809 120.512 115.700 0.005 0.000 2.505 74 S HA 0.335 4.805 4.470 0.001 0.000 0.276 74 S C 0.768 175.416 174.600 0.080 0.000 1.274 74 S CA -0.418 57.794 58.200 0.020 0.000 1.053 74 S CB 0.171 63.348 63.200 -0.039 0.000 0.919 74 S HN 0.659 nan 8.310 nan 0.000 0.490 75 I N 3.546 124.191 120.570 0.126 0.000 2.685 75 I HA 0.293 4.463 4.170 0.001 0.000 0.251 75 I C 0.296 176.590 176.117 0.295 0.000 1.102 75 I CA 0.784 62.195 61.300 0.184 0.000 1.442 75 I CB -0.484 37.618 38.000 0.169 0.000 1.194 75 I HN 0.668 nan 8.210 nan 0.000 0.448 76 F N 1.973 121.995 119.950 0.120 0.000 2.941 76 F HA 0.424 4.951 4.527 0.001 0.000 0.359 76 F C -1.310 174.558 175.800 0.114 0.000 1.231 76 F CA -0.843 57.240 58.000 0.139 0.000 1.089 76 F CB 0.728 39.783 39.000 0.091 0.000 1.407 76 F HN -0.143 nan 8.300 nan 0.000 0.538 77 D N 6.910 127.106 120.400 -0.340 0.000 2.346 77 D HA 0.196 4.836 4.640 0.001 0.000 0.255 77 D C 1.016 177.147 176.300 -0.280 0.000 1.276 77 D CA -0.248 53.582 54.000 -0.284 0.000 0.941 77 D CB 0.985 41.715 40.800 -0.116 0.000 1.199 77 D HN 0.418 nan 8.370 nan 0.000 0.537 78 M N 1.095 120.397 119.600 -0.497 0.000 2.082 78 M HA -0.187 4.294 4.480 0.001 0.000 0.258 78 M C 2.167 178.448 176.300 -0.031 0.000 1.069 78 M CA 1.450 56.614 55.300 -0.226 0.000 1.102 78 M CB -1.304 31.183 32.600 -0.189 0.000 1.336 78 M HN 0.483 nan 8.290 nan 0.000 0.404 79 S N -0.269 115.389 115.700 -0.070 0.000 2.383 79 S HA -0.168 4.303 4.470 0.001 0.000 0.229 79 S C 1.883 176.444 174.600 -0.064 0.000 1.030 79 S CA 1.138 59.307 58.200 -0.052 0.000 1.002 79 S CB -0.535 62.626 63.200 -0.066 0.000 0.829 79 S HN 0.467 nan 8.310 nan 0.000 0.467 80 K N -0.072 120.261 120.400 -0.112 0.000 2.147 80 K HA -0.087 4.233 4.320 0.001 0.000 0.205 80 K C 1.723 178.149 176.600 -0.290 0.000 1.049 80 K CA 1.487 57.646 56.287 -0.213 0.000 0.936 80 K CB -0.223 32.103 32.500 -0.289 0.000 0.722 80 K HN 0.571 nan 8.250 nan 0.000 0.446 81 W N 0.894 122.119 121.300 -0.125 0.000 2.452 81 W HA -0.065 4.596 4.660 0.001 0.000 0.313 81 W C 2.493 178.965 176.519 -0.080 0.000 1.176 81 W CA 0.386 57.671 57.345 -0.099 0.000 1.350 81 W CB -0.489 28.903 29.460 -0.114 0.000 1.148 81 W HN -0.013 nan 8.180 nan 0.000 0.498 82 R N 1.269 121.862 120.500 0.155 0.000 2.191 82 R HA -0.300 4.041 4.340 0.001 0.000 0.248 82 R C 2.063 178.376 176.300 0.020 0.000 1.127 82 R CA 2.710 58.849 56.100 0.065 0.000 0.943 82 R CB -1.345 28.968 30.300 0.022 0.000 0.891 82 R HN 0.147 nan 8.270 nan 0.000 0.439 83 A N 0.200 123.007 122.820 -0.020 0.000 1.873 83 A HA -0.211 4.110 4.320 0.001 0.000 0.218 83 A C 2.134 179.687 177.584 -0.051 0.000 1.193 83 A CA 1.860 53.868 52.037 -0.048 0.000 0.629 83 A CB -1.004 17.948 19.000 -0.079 0.000 0.826 83 A HN 0.407 nan 8.150 nan 0.000 0.447 84 L N -0.318 120.864 121.223 -0.068 0.000 1.989 84 L HA -0.154 4.187 4.340 0.001 0.000 0.211 84 L C 2.477 179.337 176.870 -0.015 0.000 1.071 84 L CA 2.966 57.768 54.840 -0.064 0.000 0.749 84 L CB -1.392 40.609 42.059 -0.097 0.000 0.890 84 L HN 0.413 nan 8.230 nan 0.000 0.431 85 T N 0.138 114.712 114.554 0.033 0.000 2.607 85 T HA -0.250 4.101 4.350 0.001 0.000 0.267 85 T C 1.972 176.671 174.700 -0.002 0.000 1.049 85 T CA 2.227 64.349 62.100 0.037 0.000 1.162 85 T CB -0.465 68.439 68.868 0.061 0.000 0.863 85 T HN 0.356 nan 8.240 nan 0.000 0.424 86 L N 0.834 122.052 121.223 -0.008 0.000 2.079 86 L HA -0.168 4.173 4.340 0.001 0.000 0.210 86 L C 2.826 179.667 176.870 -0.049 0.000 1.081 86 L CA 1.261 56.088 54.840 -0.022 0.000 0.752 86 L CB -0.521 41.528 42.059 -0.018 0.000 0.896 86 L HN 0.241 nan 8.230 nan 0.000 0.433 87 Q N 0.487 120.251 119.800 -0.061 0.000 2.224 87 Q HA -0.194 4.146 4.340 0.001 0.000 0.203 87 Q C 1.873 177.790 176.000 -0.139 0.000 0.970 87 Q CA 1.562 57.310 55.803 -0.092 0.000 0.865 87 Q CB 0.023 28.709 28.738 -0.087 0.000 0.922 87 Q HN 0.529 nan 8.270 nan 0.000 0.445 88 E N -0.263 119.870 120.200 -0.112 0.000 2.051 88 E HA -0.110 4.240 4.350 0.001 0.000 0.189 88 E C 1.921 178.430 176.600 -0.153 0.000 0.979 88 E CA 0.940 57.254 56.400 -0.144 0.000 0.803 88 E CB -0.052 29.613 29.700 -0.058 0.000 0.761 88 E HN 0.276 nan 8.360 nan 0.000 0.451 89 K N 0.830 121.181 120.400 -0.082 0.000 2.152 89 K HA -0.123 4.198 4.320 0.001 0.000 0.206 89 K C 2.190 178.739 176.600 -0.084 0.000 1.048 89 K CA 1.061 57.314 56.287 -0.057 0.000 0.933 89 K CB -0.136 32.353 32.500 -0.019 0.000 0.721 89 K HN 0.060 nan 8.250 nan 0.000 0.447 90 A N 1.541 124.295 122.820 -0.109 0.000 1.873 90 A HA -0.102 4.219 4.320 0.001 0.000 0.215 90 A C 2.390 179.866 177.584 -0.180 0.000 1.186 90 A CA 1.766 53.737 52.037 -0.110 0.000 0.616 90 A CB -0.665 18.274 19.000 -0.100 0.000 0.823 90 A HN 0.322 nan 8.150 nan 0.000 0.442 91 A N -0.430 122.174 122.820 -0.361 0.000 1.933 91 A HA 0.116 4.437 4.320 0.001 0.000 0.218 91 A C 2.391 179.685 177.584 -0.484 0.000 1.175 91 A CA 1.944 53.543 52.037 -0.730 0.000 0.628 91 A CB -1.375 16.655 19.000 -1.617 0.000 0.814 91 A HN 0.715 nan 8.150 nan 0.000 0.444 92 G N 0.166 108.805 108.800 -0.269 0.000 2.459 92 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 92 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 92 G C 1.531 176.465 174.900 0.057 0.000 1.183 92 G CA 1.145 46.248 45.100 0.004 0.000 0.776 92 G HN 0.471 nan 8.290 nan 0.000 0.552 93 I N 0.359 120.935 120.570 0.009 0.000 2.208 93 I HA -0.216 3.955 4.170 0.001 0.000 0.245 93 I C 2.840 178.993 176.117 0.061 0.000 1.097 93 I CA 1.535 62.854 61.300 0.033 0.000 1.363 93 I CB -0.236 37.771 38.000 0.011 0.000 1.051 93 I HN 0.216 nan 8.210 nan 0.000 0.413 94 Q N 1.118 120.948 119.800 0.050 0.000 2.170 94 Q HA -0.259 4.081 4.340 0.001 0.000 0.203 94 Q C 1.578 177.692 176.000 0.189 0.000 0.976 94 Q CA 1.939 57.800 55.803 0.098 0.000 0.858 94 Q CB -0.242 28.538 28.738 0.070 0.000 0.907 94 Q HN 0.438 nan 8.270 nan 0.000 0.433 95 D N -1.446 119.103 120.400 0.249 0.000 2.091 95 D HA -0.103 4.537 4.640 0.001 0.000 0.199 95 D C 1.731 178.159 176.300 0.214 0.000 0.980 95 D CA 1.333 55.506 54.000 0.289 0.000 0.831 95 D CB -0.050 40.950 40.800 0.334 0.000 0.987 95 D HN 0.148 nan 8.370 nan 0.000 0.460 96 V N 0.225 120.230 119.914 0.151 0.000 2.380 96 V HA -0.293 3.828 4.120 0.001 0.000 0.251 96 V C 2.479 178.629 176.094 0.094 0.000 1.063 96 V CA 2.092 64.454 62.300 0.103 0.000 1.055 96 V CB -0.846 31.022 31.823 0.075 0.000 0.657 96 V HN 0.310 nan 8.190 nan 0.000 0.455 97 T N -1.204 113.416 114.554 0.111 0.000 2.643 97 T HA -0.239 4.111 4.350 0.001 0.000 0.264 97 T C 1.735 176.505 174.700 0.116 0.000 1.045 97 T CA 2.081 64.240 62.100 0.098 0.000 1.155 97 T CB -0.384 68.546 68.868 0.102 0.000 0.863 97 T HN 0.567 nan 8.240 nan 0.000 0.420 98 Y N 2.034 122.363 120.300 0.049 0.000 2.102 98 Y HA -0.272 4.278 4.550 0.000 0.000 0.280 98 Y C 2.526 178.445 175.900 0.032 0.000 1.178 98 Y CA 1.672 59.797 58.100 0.040 0.000 1.146 98 Y CB -0.607 37.880 38.460 0.045 0.000 0.968 98 Y HN 0.325 nan 8.280 nan 0.000 0.504 99 Q N -1.070 118.717 119.800 -0.022 0.000 2.030 99 Q HA -0.211 4.129 4.340 0.001 0.000 0.204 99 Q C 2.200 178.126 176.000 -0.123 0.000 0.986 99 Q CA 2.493 58.234 55.803 -0.103 0.000 0.843 99 Q CB -0.483 28.260 28.738 0.009 0.000 0.904 99 Q HN 0.436 nan 8.270 nan 0.000 0.420 100 T N 1.329 115.850 114.554 -0.055 0.000 2.699 100 T HA -0.169 4.181 4.350 0.001 0.000 0.268 100 T C 1.190 175.844 174.700 -0.075 0.000 1.036 100 T CA 1.608 63.681 62.100 -0.045 0.000 1.147 100 T CB -0.348 68.514 68.868 -0.010 0.000 0.862 100 T HN 0.258 nan 8.240 nan 0.000 0.446 101 D N 0.945 121.283 120.400 -0.104 0.000 2.219 101 D HA -0.053 4.587 4.640 0.001 0.000 0.205 101 D C 2.314 178.508 176.300 -0.176 0.000 0.970 101 D CA 0.824 54.755 54.000 -0.114 0.000 0.851 101 D CB -0.184 40.565 40.800 -0.085 0.000 0.943 101 D HN 0.526 nan 8.370 nan 0.000 0.488 102 Q N 0.133 119.761 119.800 -0.286 0.000 2.083 102 Q HA -0.076 4.264 4.340 0.001 0.000 0.198 102 Q C 2.213 178.156 176.000 -0.096 0.000 0.969 102 Q CA 0.725 56.382 55.803 -0.244 0.000 0.838 102 Q CB 0.010 28.559 28.738 -0.314 0.000 0.900 102 Q HN 0.378 nan 8.270 nan 0.000 0.436 103 Q N -0.129 119.619 119.800 -0.088 0.000 2.050 103 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 103 Q C 2.107 178.086 176.000 -0.036 0.000 0.980 103 Q CA 1.681 57.452 55.803 -0.054 0.000 0.840 103 Q CB -0.138 28.571 28.738 -0.049 0.000 0.898 103 Q HN 0.354 nan 8.270 nan 0.000 0.424 104 T N 1.795 116.327 114.554 -0.036 0.000 2.759 104 T HA -0.157 4.193 4.350 0.001 0.000 0.269 104 T C 1.746 176.445 174.700 -0.002 0.000 1.042 104 T CA 0.991 63.079 62.100 -0.019 0.000 1.140 104 T CB -0.252 68.604 68.868 -0.020 0.000 0.864 104 T HN 0.130 nan 8.240 nan 0.000 0.455 105 L N 0.673 121.900 121.223 0.007 0.000 2.131 105 L HA 0.040 4.380 4.340 0.001 0.000 0.210 105 L C 1.976 178.911 176.870 0.109 0.000 1.092 105 L CA 1.399 56.268 54.840 0.049 0.000 0.759 105 L CB -0.522 41.569 42.059 0.052 0.000 0.903 105 L HN 0.294 nan 8.230 nan 0.000 0.435 106 I N -1.391 119.229 120.570 0.083 0.000 2.110 106 I HA -0.311 3.860 4.170 0.001 0.000 0.236 106 I C 2.415 178.511 176.117 -0.036 0.000 1.068 106 I CA 1.423 62.717 61.300 -0.010 0.000 1.333 106 I CB -0.365 37.555 38.000 -0.133 0.000 1.054 106 I HN 0.228 nan 8.210 nan 0.000 0.402 107 L N 0.851 122.056 121.223 -0.030 0.000 2.051 107 L HA -0.327 4.014 4.340 0.001 0.000 0.214 107 L C 2.189 179.059 176.870 0.000 0.000 1.076 107 L CA 2.105 56.936 54.840 -0.015 0.000 0.758 107 L CB -0.488 41.566 42.059 -0.009 0.000 0.890 107 L HN 0.367 nan 8.230 nan 0.000 0.433 108 N N -1.982 116.721 118.700 0.005 0.000 2.188 108 N HA -0.155 4.585 4.740 0.001 0.000 0.184 108 N C 1.526 177.038 175.510 0.004 0.000 1.018 108 N CA 1.518 54.572 53.050 0.007 0.000 0.858 108 N CB 0.033 38.524 38.487 0.007 0.000 0.989 108 N HN 0.313 nan 8.380 nan 0.000 0.426 109 T N 0.606 115.168 114.554 0.014 0.000 2.770 109 T HA -0.027 4.323 4.350 0.001 0.000 0.263 109 T C 2.090 176.758 174.700 -0.054 0.000 1.039 109 T CA 1.061 63.166 62.100 0.008 0.000 1.142 109 T CB -0.244 68.679 68.868 0.092 0.000 0.868 109 T HN 0.282 nan 8.240 nan 0.000 0.435 110 A N 1.304 124.067 122.820 -0.095 0.000 1.883 110 A HA -0.156 4.164 4.320 0.001 0.000 0.217 110 A C 2.551 180.069 177.584 -0.110 0.000 1.186 110 A CA 2.280 54.196 52.037 -0.202 0.000 0.624 110 A CB -1.374 17.557 19.000 -0.115 0.000 0.822 110 A HN 0.459 nan 8.150 nan 0.000 0.444 111 T N 0.263 114.828 114.554 0.018 0.000 2.684 111 T HA -0.066 4.285 4.350 0.001 0.000 0.267 111 T C 2.216 176.934 174.700 0.029 0.000 1.036 111 T CA 1.792 63.939 62.100 0.078 0.000 1.148 111 T CB -0.525 68.378 68.868 0.058 0.000 0.863 111 T HN 0.627 nan 8.240 nan 0.000 0.436 112 A N 0.285 123.100 122.820 -0.008 0.000 1.940 112 A HA -0.136 4.185 4.320 0.001 0.000 0.219 112 A C 2.088 179.630 177.584 -0.070 0.000 1.176 112 A CA 1.720 53.738 52.037 -0.032 0.000 0.631 112 A CB -0.969 18.014 19.000 -0.029 0.000 0.814 112 A HN 0.637 nan 8.150 nan 0.000 0.446 113 Y N -0.875 119.275 120.300 -0.250 0.000 2.163 113 Y HA -0.122 4.428 4.550 -0.000 0.000 0.288 113 Y C 1.606 177.310 175.900 -0.327 0.000 1.136 113 Y CA 1.654 59.536 58.100 -0.363 0.000 1.147 113 Y CB -0.288 37.846 38.460 -0.544 0.000 0.987 113 Y HN 0.257 nan 8.280 nan 0.000 0.509 114 F N 0.503 120.477 119.950 0.040 0.000 2.802 114 F HA -0.042 4.486 4.527 0.001 0.000 0.300 114 F C 1.787 177.323 175.800 -0.440 0.000 1.168 114 F CA 0.347 58.220 58.000 -0.212 0.000 1.433 114 F CB -0.618 38.357 39.000 -0.042 0.000 1.115 114 F HN 0.191 nan 8.300 nan 0.000 0.582 115 N N -0.380 118.242 118.700 -0.129 0.000 2.368 115 N HA -0.041 4.699 4.740 0.001 0.000 0.176 115 N C 2.123 177.510 175.510 -0.204 0.000 1.021 115 N CA 0.725 53.681 53.050 -0.157 0.000 0.888 115 N CB -0.160 38.276 38.487 -0.084 0.000 0.995 115 N HN 0.103 nan 8.380 nan 0.000 0.437 116 V N 1.683 121.458 119.914 -0.232 0.000 2.626 116 V HA -0.073 4.047 4.120 0.001 0.000 0.252 116 V C 2.302 178.240 176.094 -0.261 0.000 1.067 116 V CA 0.917 63.079 62.300 -0.230 0.000 1.081 116 V CB -0.259 31.404 31.823 -0.267 0.000 0.686 116 V HN 0.224 nan 8.190 nan 0.000 0.468 117 L N -0.151 120.869 121.223 -0.338 0.000 2.049 117 L HA -0.102 4.239 4.340 0.001 0.000 0.203 117 L C 2.402 179.081 176.870 -0.317 0.000 1.074 117 L CA 1.836 56.500 54.840 -0.293 0.000 0.749 117 L CB -0.629 41.298 42.059 -0.220 0.000 0.907 117 L HN 0.371 nan 8.230 nan 0.000 0.439 118 N N 0.276 118.628 118.700 -0.579 0.000 2.289 118 N HA -0.164 4.577 4.740 0.001 0.000 0.184 118 N C 1.682 177.096 175.510 -0.160 0.000 1.016 118 N CA 1.328 54.184 53.050 -0.324 0.000 0.872 118 N CB 0.051 38.338 38.487 -0.332 0.000 0.973 118 N HN 0.305 nan 8.380 nan 0.000 0.433 119 A N 0.312 123.029 122.820 -0.171 0.000 1.902 119 A HA -0.061 4.260 4.320 0.001 0.000 0.217 119 A C 2.259 179.774 177.584 -0.115 0.000 1.181 119 A CA 0.997 52.963 52.037 -0.118 0.000 0.623 119 A CB -0.625 18.310 19.000 -0.109 0.000 0.818 119 A HN 0.381 nan 8.150 nan 0.000 0.443 120 I N -0.224 120.267 120.570 -0.130 0.000 2.202 120 I HA -0.226 3.944 4.170 0.001 0.000 0.242 120 I C 1.929 177.946 176.117 -0.167 0.000 1.091 120 I CA 1.447 62.673 61.300 -0.123 0.000 1.368 120 I CB -0.481 37.453 38.000 -0.109 0.000 1.058 120 I HN 0.245 nan 8.210 nan 0.000 0.410 121 D N 0.651 120.927 120.400 -0.206 0.000 2.092 121 D HA -0.164 4.477 4.640 0.001 0.000 0.193 121 D C 2.338 178.386 176.300 -0.419 0.000 0.994 121 D CA 1.171 54.917 54.000 -0.424 0.000 0.828 121 D CB -0.538 40.045 40.800 -0.361 0.000 0.963 121 D HN 0.081 nan 8.370 nan 0.000 0.450 122 V N 0.849 120.652 119.914 -0.186 0.000 2.324 122 V HA -0.245 3.875 4.120 0.001 0.000 0.250 122 V C 2.457 178.515 176.094 -0.060 0.000 1.060 122 V CA 1.297 63.557 62.300 -0.066 0.000 1.042 122 V CB -0.446 31.356 31.823 -0.035 0.000 0.650 122 V HN 0.149 nan 8.190 nan 0.000 0.450 123 L N -0.233 120.936 121.223 -0.090 0.000 2.017 123 L HA -0.122 4.219 4.340 0.001 0.000 0.208 123 L C 2.564 179.393 176.870 -0.068 0.000 1.073 123 L CA 2.282 57.078 54.840 -0.073 0.000 0.745 123 L CB -0.789 41.226 42.059 -0.074 0.000 0.894 123 L HN 0.274 nan 8.230 nan 0.000 0.432 124 S N -1.301 114.338 115.700 -0.102 0.000 2.359 124 S HA -0.194 4.277 4.470 0.001 0.000 0.224 124 S C 1.870 176.510 174.600 0.066 0.000 1.035 124 S CA 1.368 59.535 58.200 -0.055 0.000 1.018 124 S CB -0.513 62.624 63.200 -0.106 0.000 0.876 124 S HN 0.475 nan 8.310 nan 0.000 0.448 125 Y N 1.902 122.184 120.300 -0.030 0.000 2.333 125 Y HA -0.034 4.517 4.550 0.002 0.000 0.290 125 Y C 2.822 178.596 175.900 -0.209 0.000 1.144 125 Y CA 0.430 58.507 58.100 -0.038 0.000 1.228 125 Y CB -1.535 36.968 38.460 0.071 0.000 0.985 125 Y HN 0.228 nan 8.280 nan 0.000 0.542 126 T N -0.571 113.986 114.554 0.006 0.000 2.985 126 T HA -0.106 4.245 4.350 0.001 0.000 0.266 126 T C 1.750 176.361 174.700 -0.148 0.000 1.076 126 T CA 0.929 62.974 62.100 -0.092 0.000 1.135 126 T CB -0.027 68.806 68.868 -0.058 0.000 0.890 126 T HN 0.419 nan 8.240 nan 0.000 0.480 127 Q N 0.374 120.109 119.800 -0.109 0.000 2.269 127 Q HA 0.182 4.522 4.340 0.001 0.000 0.201 127 Q C 2.636 178.559 176.000 -0.128 0.000 0.946 127 Q CA 0.912 56.655 55.803 -0.100 0.000 0.877 127 Q CB -0.107 28.596 28.738 -0.059 0.000 0.963 127 Q HN 0.500 nan 8.270 nan 0.000 0.472 128 A N 1.272 123.979 122.820 -0.188 0.000 1.897 128 A HA -0.244 4.077 4.320 0.001 0.000 0.215 128 A C 2.020 179.294 177.584 -0.516 0.000 1.181 128 A CA 1.508 53.398 52.037 -0.244 0.000 0.620 128 A CB -0.512 18.400 19.000 -0.146 0.000 0.821 128 A HN 0.377 nan 8.150 nan 0.000 0.443 129 Q N -0.074 119.155 119.800 -0.952 0.000 2.167 129 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 129 Q C 2.035 177.911 176.000 -0.208 0.000 0.970 129 Q CA 1.940 57.288 55.803 -0.758 0.000 0.855 129 Q CB -0.163 28.212 28.738 -0.605 0.000 0.911 129 Q HN 0.673 nan 8.270 nan 0.000 0.438 130 K N 0.406 120.710 120.400 -0.160 0.000 2.007 130 K HA -0.173 4.148 4.320 0.001 0.000 0.206 130 K C 1.762 178.453 176.600 0.151 0.000 1.047 130 K CA 1.606 57.882 56.287 -0.019 0.000 0.937 130 K CB -0.019 32.422 32.500 -0.099 0.000 0.718 130 K HN 0.278 nan 8.250 nan 0.000 0.438 131 E N 0.105 120.347 120.200 0.070 0.000 2.209 131 E HA -0.212 4.138 4.350 0.001 0.000 0.196 131 E C 1.788 178.494 176.600 0.176 0.000 0.993 131 E CA 1.019 57.496 56.400 0.128 0.000 0.819 131 E CB -0.062 29.676 29.700 0.063 0.000 0.745 131 E HN 0.444 nan 8.360 nan 0.000 0.477 132 A N 1.311 124.208 122.820 0.129 0.000 1.835 132 A HA -0.092 4.229 4.320 0.001 0.000 0.213 132 A C 2.092 179.762 177.584 0.145 0.000 1.210 132 A CA 0.696 52.820 52.037 0.145 0.000 0.605 132 A CB -0.500 18.613 19.000 0.189 0.000 0.860 132 A HN 0.129 nan 8.150 nan 0.000 0.447 133 I N -1.151 119.521 120.570 0.170 0.000 2.908 133 I HA -0.254 3.917 4.170 0.001 0.000 0.271 133 I C 2.196 178.414 176.117 0.169 0.000 1.275 133 I CA 1.329 62.737 61.300 0.180 0.000 1.446 133 I CB -0.308 37.845 38.000 0.254 0.000 1.092 133 I HN 0.560 nan 8.210 nan 0.000 0.482 134 Y N 1.482 121.808 120.300 0.044 0.000 2.262 134 Y HA -0.032 4.520 4.550 0.002 0.000 0.295 134 Y C 2.606 178.449 175.900 -0.095 0.000 1.121 134 Y CA 1.042 59.058 58.100 -0.140 0.000 1.144 134 Y CB -0.141 38.282 38.460 -0.062 0.000 1.043 134 Y HN -0.092 nan 8.280 nan 0.000 0.528 135 R N -0.170 120.328 120.500 -0.002 0.000 2.080 135 R HA -0.204 4.137 4.340 0.001 0.000 0.236 135 R C 2.210 178.441 176.300 -0.115 0.000 1.137 135 R CA 1.760 57.821 56.100 -0.066 0.000 0.943 135 R CB -0.414 29.907 30.300 0.035 0.000 0.846 135 R HN 0.317 nan 8.270 nan 0.000 0.431 136 Q N 0.590 120.348 119.800 -0.071 0.000 2.197 136 Q HA -0.184 4.157 4.340 0.001 0.000 0.207 136 Q C 2.136 178.048 176.000 -0.147 0.000 0.984 136 Q CA 1.224 56.967 55.803 -0.102 0.000 0.869 136 Q CB -0.309 28.362 28.738 -0.112 0.000 0.906 136 Q HN 0.228 nan 8.270 nan 0.000 0.426 137 L N 1.458 122.558 121.223 -0.205 0.000 1.973 137 L HA -0.151 4.189 4.340 0.001 0.000 0.208 137 L C 2.090 178.803 176.870 -0.262 0.000 1.073 137 L CA 2.188 56.876 54.840 -0.254 0.000 0.746 137 L CB -0.907 40.920 42.059 -0.387 0.000 0.891 137 L HN 0.215 nan 8.230 nan 0.000 0.433 138 D N -1.114 119.037 120.400 -0.414 0.000 2.203 138 D HA -0.319 4.321 4.640 0.001 0.000 0.199 138 D C 1.933 178.151 176.300 -0.137 0.000 0.997 138 D CA 1.822 55.624 54.000 -0.330 0.000 0.863 138 D CB 0.097 40.644 40.800 -0.421 0.000 0.928 138 D HN 0.667 nan 8.370 nan 0.000 0.458 139 Q N -0.246 119.508 119.800 -0.078 0.000 2.062 139 Q HA -0.107 4.233 4.340 0.001 0.000 0.196 139 Q C 2.233 178.309 176.000 0.127 0.000 0.967 139 Q CA 2.081 57.908 55.803 0.040 0.000 0.832 139 Q CB -0.186 28.610 28.738 0.097 0.000 0.899 139 Q HN 0.347 nan 8.270 nan 0.000 0.442 140 T N -1.987 112.657 114.554 0.149 0.000 2.849 140 T HA -0.140 4.210 4.350 0.001 0.000 0.270 140 T C 1.700 176.497 174.700 0.162 0.000 1.066 140 T CA 1.686 63.926 62.100 0.233 0.000 1.130 140 T CB -0.639 68.304 68.868 0.125 0.000 0.864 140 T HN 0.230 nan 8.240 nan 0.000 0.481 141 T N 2.103 116.700 114.554 0.071 0.000 2.701 141 T HA -0.082 4.269 4.350 0.001 0.000 0.263 141 T C 2.170 176.963 174.700 0.156 0.000 1.040 141 T CA 1.475 63.630 62.100 0.091 0.000 1.147 141 T CB -0.351 68.515 68.868 -0.002 0.000 0.865 141 T HN 0.549 nan 8.240 nan 0.000 0.426 142 Q N 0.605 120.454 119.800 0.082 0.000 2.061 142 Q HA -0.060 4.281 4.340 0.001 0.000 0.204 142 Q C 2.647 178.681 176.000 0.057 0.000 0.984 142 Q CA 1.028 56.865 55.803 0.057 0.000 0.846 142 Q CB -0.170 28.584 28.738 0.026 0.000 0.902 142 Q HN 0.335 nan 8.270 nan 0.000 0.421 143 R N -0.127 120.415 120.500 0.070 0.000 2.152 143 R HA -0.119 4.221 4.340 0.001 0.000 0.232 143 R C 1.962 178.299 176.300 0.062 0.000 1.117 143 R CA 0.924 57.041 56.100 0.028 0.000 0.981 143 R CB -0.365 29.929 30.300 -0.010 0.000 0.870 143 R HN 0.301 nan 8.270 nan 0.000 0.451 144 F N 1.911 121.859 119.950 -0.002 0.000 2.416 144 F HA 0.075 4.602 4.527 0.001 0.000 0.296 144 F C 1.440 177.235 175.800 -0.008 0.000 1.099 144 F CA 0.655 58.655 58.000 -0.000 0.000 1.427 144 F CB -0.003 39.002 39.000 0.010 0.000 1.079 144 F HN -0.119 nan 8.300 nan 0.000 0.536 145 N N 0.220 118.901 118.700 -0.032 0.000 2.521 145 N HA -0.013 4.727 4.740 0.001 0.000 0.188 145 N C 0.749 176.160 175.510 -0.165 0.000 1.146 145 N CA 0.654 53.639 53.050 -0.108 0.000 0.893 145 N CB 0.451 38.952 38.487 0.024 0.000 0.975 145 N HN 0.220 nan 8.380 nan 0.000 0.451 146 V N -0.601 119.212 119.914 -0.168 0.000 3.070 146 V HA 0.270 4.391 4.120 0.001 0.000 0.345 146 V C 1.107 177.099 176.094 -0.169 0.000 1.403 146 V CA 0.026 62.244 62.300 -0.137 0.000 1.155 146 V CB 0.213 31.986 31.823 -0.084 0.000 1.140 146 V HN 0.256 nan 8.190 nan 0.000 0.505 147 G N 1.306 109.936 108.800 -0.283 0.000 2.361 147 G HA2 -0.292 3.668 3.960 0.001 0.000 0.294 147 G HA3 -0.292 3.668 3.960 0.001 0.000 0.294 147 G C 0.635 175.447 174.900 -0.147 0.000 1.004 147 G CA 1.041 45.977 45.100 -0.273 0.000 0.870 147 G HN 0.560 nan 8.290 nan 0.000 0.510 148 L N -1.018 120.138 121.223 -0.111 0.000 2.592 148 L HA 0.362 4.703 4.340 0.001 0.000 0.227 148 L C 0.844 177.689 176.870 -0.043 0.000 1.127 148 L CA 0.427 55.221 54.840 -0.076 0.000 0.884 148 L CB 0.165 42.171 42.059 -0.090 0.000 1.065 148 L HN 0.422 nan 8.230 nan 0.000 0.457 149 V N -4.565 115.361 119.914 0.020 0.000 3.000 149 V HA 0.756 4.877 4.120 0.001 0.000 0.300 149 V C -0.004 176.233 176.094 0.238 0.000 1.251 149 V CA -1.166 61.201 62.300 0.112 0.000 0.972 149 V CB 1.032 32.953 31.823 0.163 0.000 1.065 149 V HN -0.030 nan 8.190 nan 0.000 0.431 150 A N 2.653 125.599 122.820 0.210 0.000 2.407 150 A HA 0.543 4.864 4.320 0.001 0.000 0.257 150 A C 1.007 178.811 177.584 0.367 0.000 1.131 150 A CA 0.624 52.817 52.037 0.261 0.000 0.803 150 A CB -0.104 18.982 19.000 0.143 0.000 1.083 150 A HN 1.566 nan 8.150 nan 0.000 0.512 151 I N -0.126 120.600 120.570 0.260 0.000 2.546 151 I HA -0.121 4.050 4.170 0.001 0.000 0.255 151 I C 2.540 178.563 176.117 -0.156 0.000 1.163 151 I CA 2.390 63.569 61.300 -0.201 0.000 1.457 151 I CB -0.561 37.349 38.000 -0.150 0.000 1.092 151 I HN 0.812 nan 8.210 nan 0.000 0.434 152 T N -2.675 111.868 114.554 -0.019 0.000 2.833 152 T HA -0.184 4.167 4.350 0.001 0.000 0.269 152 T C 1.641 176.332 174.700 -0.015 0.000 1.054 152 T CA 1.710 63.800 62.100 -0.016 0.000 1.135 152 T CB -0.671 68.207 68.868 0.018 0.000 0.869 152 T HN 0.274 nan 8.240 nan 0.000 0.466 153 D N 0.912 121.328 120.400 0.026 0.000 2.144 153 D HA -0.026 4.615 4.640 0.001 0.000 0.199 153 D C 2.177 178.465 176.300 -0.021 0.000 0.984 153 D CA 0.800 54.828 54.000 0.048 0.000 0.834 153 D CB -0.301 40.605 40.800 0.176 0.000 0.955 153 D HN 0.350 nan 8.370 nan 0.000 0.465 154 V N 0.224 120.084 119.914 -0.090 0.000 2.488 154 V HA -0.154 3.966 4.120 0.001 0.000 0.246 154 V C 2.206 178.222 176.094 -0.129 0.000 1.046 154 V CA 1.262 63.474 62.300 -0.146 0.000 1.053 154 V CB -0.399 31.250 31.823 -0.290 0.000 0.679 154 V HN 0.192 nan 8.190 nan 0.000 0.458 155 Q N -0.159 119.566 119.800 -0.126 0.000 2.224 155 Q HA -0.159 4.181 4.340 0.001 0.000 0.203 155 Q C 2.207 178.181 176.000 -0.044 0.000 0.970 155 Q CA 1.137 56.890 55.803 -0.083 0.000 0.865 155 Q CB -0.183 28.510 28.738 -0.077 0.000 0.922 155 Q HN 0.602 nan 8.270 nan 0.000 0.445 156 N N 0.712 119.388 118.700 -0.040 0.000 2.148 156 N HA -0.081 4.660 4.740 0.001 0.000 0.186 156 N C 1.618 177.117 175.510 -0.019 0.000 1.031 156 N CA 1.360 54.396 53.050 -0.023 0.000 0.848 156 N CB -0.036 38.438 38.487 -0.022 0.000 1.005 156 N HN 0.172 nan 8.380 nan 0.000 0.427 157 A N 1.421 124.217 122.820 -0.040 0.000 2.070 157 A HA -0.064 4.257 4.320 0.001 0.000 0.220 157 A C 2.241 179.834 177.584 0.015 0.000 1.159 157 A CA 0.804 52.821 52.037 -0.033 0.000 0.656 157 A CB -0.233 18.714 19.000 -0.087 0.000 0.800 157 A HN 0.181 nan 8.150 nan 0.000 0.453 158 R N -0.439 120.060 120.500 -0.002 0.000 2.062 158 R HA 0.029 4.370 4.340 0.001 0.000 0.229 158 R C 2.531 178.894 176.300 0.105 0.000 1.128 158 R CA 1.387 57.513 56.100 0.042 0.000 0.960 158 R CB -1.232 29.066 30.300 -0.004 0.000 0.855 158 R HN 0.492 nan 8.270 nan 0.000 0.432 159 A N 1.289 124.140 122.820 0.052 0.000 1.865 159 A HA -0.216 4.105 4.320 0.001 0.000 0.217 159 A C 2.086 179.705 177.584 0.058 0.000 1.191 159 A CA 1.508 53.572 52.037 0.046 0.000 0.623 159 A CB -0.599 18.412 19.000 0.019 0.000 0.826 159 A HN 0.384 nan 8.150 nan 0.000 0.444 160 Q N -2.446 117.389 119.800 0.059 0.000 2.364 160 Q HA -0.169 4.171 4.340 0.001 0.000 0.209 160 Q C 1.790 177.844 176.000 0.090 0.000 0.977 160 Q CA 1.379 57.215 55.803 0.055 0.000 0.885 160 Q CB -0.204 28.560 28.738 0.043 0.000 0.941 160 Q HN 0.857 nan 8.270 nan 0.000 0.464 161 Y N 1.492 121.793 120.300 0.002 0.000 2.206 161 Y HA -0.169 4.382 4.550 0.000 0.000 0.292 161 Y C 1.611 177.517 175.900 0.010 0.000 1.123 161 Y CA 1.463 59.574 58.100 0.018 0.000 1.142 161 Y CB 0.036 38.523 38.460 0.045 0.000 1.006 161 Y HN 0.047 nan 8.280 nan 0.000 0.518 162 D N -0.730 119.703 120.400 0.054 0.000 2.123 162 D HA -0.182 4.458 4.640 0.001 0.000 0.196 162 D C 2.135 178.376 176.300 -0.098 0.000 0.992 162 D CA 1.951 55.928 54.000 -0.038 0.000 0.833 162 D CB -0.591 40.230 40.800 0.035 0.000 0.954 162 D HN 0.329 nan 8.370 nan 0.000 0.455 163 T N 0.155 114.675 114.554 -0.058 0.000 2.708 163 T HA -0.103 4.247 4.350 0.001 0.000 0.266 163 T C 2.122 176.764 174.700 -0.096 0.000 1.037 163 T CA 0.722 62.788 62.100 -0.058 0.000 1.146 163 T CB -0.256 68.597 68.868 -0.025 0.000 0.865 163 T HN -0.051 nan 8.240 nan 0.000 0.435 164 V N 1.506 121.339 119.914 -0.134 0.000 2.490 164 V HA -0.117 4.004 4.120 0.001 0.000 0.250 164 V C 2.392 178.363 176.094 -0.206 0.000 1.061 164 V CA 1.352 63.557 62.300 -0.159 0.000 1.064 164 V CB -0.580 31.136 31.823 -0.179 0.000 0.670 164 V HN 0.467 nan 8.190 nan 0.000 0.461 165 L N -0.019 121.036 121.223 -0.280 0.000 2.056 165 L HA -0.129 4.211 4.340 0.001 0.000 0.207 165 L C 2.724 179.508 176.870 -0.143 0.000 1.078 165 L CA 1.530 56.222 54.840 -0.247 0.000 0.749 165 L CB -0.835 41.059 42.059 -0.275 0.000 0.901 165 L HN 0.356 nan 8.230 nan 0.000 0.433 166 A N 0.199 122.952 122.820 -0.112 0.000 2.024 166 A HA -0.201 4.119 4.320 0.001 0.000 0.220 166 A C 1.991 179.536 177.584 -0.066 0.000 1.164 166 A CA 1.864 53.857 52.037 -0.073 0.000 0.643 166 A CB -0.457 18.510 19.000 -0.055 0.000 0.806 166 A HN 0.460 nan 8.150 nan 0.000 0.451 167 N N -0.423 118.231 118.700 -0.076 0.000 2.197 167 N HA -0.096 4.645 4.740 0.001 0.000 0.184 167 N C 1.671 177.140 175.510 -0.067 0.000 1.030 167 N CA 1.188 54.201 53.050 -0.062 0.000 0.851 167 N CB -0.643 37.809 38.487 -0.057 0.000 1.003 167 N HN 0.663 nan 8.380 nan 0.000 0.430 168 E N 1.266 121.412 120.200 -0.089 0.000 2.233 168 E HA -0.204 4.146 4.350 0.001 0.000 0.199 168 E C 1.908 178.464 176.600 -0.073 0.000 1.004 168 E CA 0.605 56.952 56.400 -0.087 0.000 0.819 168 E CB -0.090 29.541 29.700 -0.114 0.000 0.738 168 E HN 0.311 nan 8.360 nan 0.000 0.478 169 L N 0.606 121.786 121.223 -0.071 0.000 1.976 169 L HA -0.173 4.167 4.340 0.001 0.000 0.209 169 L C 2.821 179.662 176.870 -0.047 0.000 1.071 169 L CA 2.353 57.158 54.840 -0.058 0.000 0.746 169 L CB -0.698 41.328 42.059 -0.055 0.000 0.890 169 L HN 0.242 nan 8.230 nan 0.000 0.432 170 T N -2.454 112.074 114.554 -0.043 0.000 2.857 170 T HA -0.007 4.343 4.350 0.001 0.000 0.266 170 T C 1.915 176.593 174.700 -0.036 0.000 1.048 170 T CA 0.770 62.848 62.100 -0.035 0.000 1.139 170 T CB -0.555 68.295 68.868 -0.030 0.000 0.874 170 T HN 0.429 nan 8.240 nan 0.000 0.455 171 A N 1.665 124.461 122.820 -0.041 0.000 2.024 171 A HA -0.042 4.279 4.320 0.001 0.000 0.220 171 A C 2.453 180.009 177.584 -0.045 0.000 1.164 171 A CA 1.798 53.811 52.037 -0.041 0.000 0.643 171 A CB -0.758 18.216 19.000 -0.043 0.000 0.806 171 A HN 0.618 nan 8.150 nan 0.000 0.451 172 R N -0.567 119.906 120.500 -0.045 0.000 2.173 172 R HA -0.021 4.319 4.340 0.001 0.000 0.208 172 R C 1.882 178.160 176.300 -0.037 0.000 1.035 172 R CA 1.177 57.251 56.100 -0.044 0.000 1.004 172 R CB -0.282 29.991 30.300 -0.046 0.000 0.917 172 R HN 0.549 nan 8.270 nan 0.000 0.462 173 N N 0.217 118.897 118.700 -0.034 0.000 2.270 173 N HA -0.082 4.659 4.740 0.001 0.000 0.181 173 N C 0.956 176.451 175.510 -0.025 0.000 1.016 173 N CA 1.625 54.658 53.050 -0.027 0.000 0.870 173 N CB -0.024 38.448 38.487 -0.025 0.000 0.979 173 N HN 0.356 nan 8.380 nan 0.000 0.431 174 N N -0.432 118.251 118.700 -0.029 0.000 2.216 174 N HA -0.098 4.643 4.740 0.001 0.000 0.183 174 N C 1.458 176.947 175.510 -0.035 0.000 1.017 174 N CA 0.594 53.626 53.050 -0.030 0.000 0.861 174 N CB -0.041 38.427 38.487 -0.033 0.000 0.986 174 N HN 0.177 nan 8.380 nan 0.000 0.428 175 L N 1.495 122.693 121.223 -0.042 0.000 2.131 175 L HA -0.127 4.214 4.340 0.001 0.000 0.210 175 L C 1.332 178.185 176.870 -0.029 0.000 1.092 175 L CA 1.786 56.598 54.840 -0.048 0.000 0.759 175 L CB -0.378 41.650 42.059 -0.052 0.000 0.903 175 L HN 0.026 nan 8.230 nan 0.000 0.435 176 D N -0.190 120.199 120.400 -0.020 0.000 2.075 176 D HA -0.140 4.501 4.640 0.001 0.000 0.196 176 D C 1.807 178.116 176.300 0.014 0.000 0.985 176 D CA 1.286 55.285 54.000 -0.002 0.000 0.834 176 D CB -0.348 40.447 40.800 -0.008 0.000 0.987 176 D HN 0.335 nan 8.370 nan 0.000 0.452 177 N N 0.647 119.350 118.700 0.004 0.000 2.430 177 N HA -0.100 4.641 4.740 0.001 0.000 0.186 177 N C 1.388 176.900 175.510 0.004 0.000 1.032 177 N CA 0.735 53.790 53.050 0.009 0.000 0.893 177 N CB -0.098 38.389 38.487 -0.000 0.000 0.957 177 N HN 0.129 nan 8.380 nan 0.000 0.442 178 A N -0.179 122.635 122.820 -0.011 0.000 2.072 178 A HA 0.074 4.395 4.320 0.001 0.000 0.216 178 A C 2.259 179.831 177.584 -0.021 0.000 1.156 178 A CA 0.447 52.467 52.037 -0.029 0.000 0.701 178 A CB -0.002 18.964 19.000 -0.056 0.000 0.816 178 A HN 0.102 nan 8.150 nan 0.000 0.458 179 V N -0.076 119.846 119.914 0.014 0.000 2.878 179 V HA -0.071 4.049 4.120 0.001 0.000 0.250 179 V C 2.250 178.398 176.094 0.091 0.000 1.075 179 V CA 1.407 63.743 62.300 0.060 0.000 1.096 179 V CB -0.342 31.549 31.823 0.113 0.000 0.724 179 V HN 0.433 nan 8.190 nan 0.000 0.467 180 E N -0.055 120.202 120.200 0.095 0.000 2.150 180 E HA -0.164 4.187 4.350 0.001 0.000 0.193 180 E C 2.309 178.912 176.600 0.005 0.000 0.985 180 E CA 0.786 57.242 56.400 0.094 0.000 0.814 180 E CB -0.126 29.629 29.700 0.091 0.000 0.752 180 E HN 0.546 nan 8.360 nan 0.000 0.466 181 Q N 0.403 120.203 119.800 -0.001 0.000 1.993 181 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 181 Q C 2.411 178.390 176.000 -0.034 0.000 0.984 181 Q CA 0.694 56.486 55.803 -0.019 0.000 0.837 181 Q CB -0.822 27.904 28.738 -0.021 0.000 0.902 181 Q HN 0.220 nan 8.270 nan 0.000 0.423 182 L N 1.344 122.546 121.223 -0.034 0.000 2.013 182 L HA -0.231 4.109 4.340 0.001 0.000 0.212 182 L C 2.559 179.406 176.870 -0.038 0.000 1.073 182 L CA 1.944 56.765 54.840 -0.032 0.000 0.753 182 L CB -0.561 41.476 42.059 -0.037 0.000 0.890 182 L HN 0.137 nan 8.230 nan 0.000 0.432 183 R N -0.094 120.333 120.500 -0.122 0.000 2.096 183 R HA -0.262 4.079 4.340 0.001 0.000 0.240 183 R C 2.317 178.485 176.300 -0.221 0.000 1.139 183 R CA 2.355 58.249 56.100 -0.344 0.000 0.952 183 R CB -0.968 28.819 30.300 -0.856 0.000 0.854 183 R HN 0.663 nan 8.270 nan 0.000 0.436 184 Q N -0.397 119.320 119.800 -0.137 0.000 2.084 184 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 184 Q C 2.088 178.053 176.000 -0.058 0.000 0.978 184 Q CA 2.143 57.897 55.803 -0.083 0.000 0.844 184 Q CB -0.112 28.598 28.738 -0.047 0.000 0.898 184 Q HN 0.558 nan 8.270 nan 0.000 0.426 185 I N 0.203 120.747 120.570 -0.043 0.000 2.193 185 I HA -0.202 3.969 4.170 0.001 0.000 0.240 185 I C 2.518 178.621 176.117 -0.024 0.000 1.084 185 I CA 1.623 62.907 61.300 -0.027 0.000 1.365 185 I CB -0.345 37.645 38.000 -0.016 0.000 1.064 185 I HN 0.398 nan 8.210 nan 0.000 0.410 186 T N -2.272 112.278 114.554 -0.007 0.000 3.043 186 T HA 0.185 4.535 4.350 0.001 0.000 0.263 186 T C 1.647 176.339 174.700 -0.012 0.000 1.094 186 T CA 0.705 62.818 62.100 0.022 0.000 1.127 186 T CB 0.397 69.351 68.868 0.143 0.000 0.905 186 T HN 0.545 nan 8.240 nan 0.000 0.490 187 G N 1.264 110.025 108.800 -0.064 0.000 2.176 187 G HA2 -0.214 3.746 3.960 0.001 0.000 0.253 187 G HA3 -0.214 3.746 3.960 0.001 0.000 0.253 187 G C -0.014 174.782 174.900 -0.174 0.000 0.979 187 G CA 0.064 45.100 45.100 -0.107 0.000 0.641 187 G HN 0.655 nan 8.290 nan 0.000 0.530 188 N N -0.928 117.658 118.700 -0.189 0.000 2.545 188 N HA 0.704 5.445 4.740 0.001 0.000 0.289 188 N C -1.366 173.863 175.510 -0.467 0.000 1.279 188 N CA -0.416 52.432 53.050 -0.337 0.000 0.824 188 N CB 1.106 39.296 38.487 -0.496 0.000 1.395 188 N HN 0.049 nan 8.380 nan 0.000 0.526 189 Y N 0.197 120.315 120.300 -0.303 0.000 2.393 189 Y HA 0.416 4.966 4.550 -0.000 0.000 0.341 189 Y C -0.752 174.944 175.900 -0.340 0.000 0.988 189 Y CA -0.485 57.526 58.100 -0.148 0.000 1.078 189 Y CB 1.081 39.485 38.460 -0.094 0.000 1.203 189 Y HN 0.340 nan 8.280 nan 0.000 0.453 190 Y N 3.655 124.033 120.300 0.129 0.000 2.364 190 Y HA 0.368 4.919 4.550 0.002 0.000 0.340 190 Y C -1.830 174.099 175.900 0.048 0.000 0.975 190 Y CA -2.679 55.461 58.100 0.066 0.000 1.089 190 Y CB 1.450 39.927 38.460 0.028 0.000 1.192 190 Y HN 0.440 nan 8.280 nan 0.000 0.454 191 P HA -0.064 nan 4.420 nan 0.000 0.220 191 P C -0.839 176.509 177.300 0.080 0.000 1.152 191 P CA 1.101 64.249 63.100 0.080 0.000 0.812 191 P CB 0.486 32.216 31.700 0.049 0.000 0.792 192 E N -1.983 118.285 120.200 0.114 0.000 2.390 192 E HA 0.532 4.882 4.350 0.001 0.000 0.280 192 E C -1.404 175.244 176.600 0.080 0.000 0.992 192 E CA -0.865 55.579 56.400 0.073 0.000 0.790 192 E CB 0.875 30.609 29.700 0.057 0.000 1.248 192 E HN -0.176 nan 8.360 nan 0.000 0.447 193 L N 0.471 121.698 121.223 0.006 0.000 2.309 193 L HA 0.782 5.122 4.340 0.001 0.000 0.261 193 L C -0.412 176.497 176.870 0.064 0.000 1.021 193 L CA -1.519 53.313 54.840 -0.013 0.000 0.823 193 L CB 2.053 43.913 42.059 -0.333 0.000 1.366 193 L HN 0.800 nan 8.230 nan 0.000 0.423 194 A N 1.300 124.235 122.820 0.191 0.000 2.350 194 A HA 0.646 4.966 4.320 0.001 0.000 0.293 194 A C 0.306 178.036 177.584 0.242 0.000 1.231 194 A CA -0.218 51.939 52.037 0.200 0.000 0.883 194 A CB 0.021 19.148 19.000 0.211 0.000 1.133 194 A HN 0.719 nan 8.150 nan 0.000 0.533 195 A N 2.573 125.492 122.820 0.165 0.000 2.386 195 A HA 0.491 4.811 4.320 0.001 0.000 0.248 195 A C 0.322 178.039 177.584 0.222 0.000 1.082 195 A CA -0.478 51.669 52.037 0.184 0.000 0.789 195 A CB 0.053 19.118 19.000 0.108 0.000 1.025 195 A HN 1.414 nan 8.150 nan 0.000 0.490 196 L N 1.719 123.093 121.223 0.252 0.000 2.559 196 L HA 0.019 4.360 4.340 0.001 0.000 0.274 196 L C 0.560 177.490 176.870 0.100 0.000 1.205 196 L CA 0.359 55.303 54.840 0.173 0.000 0.907 196 L CB -0.178 41.880 42.059 -0.002 0.000 1.153 196 L HN 0.730 nan 8.230 nan 0.000 0.490 197 N N 4.343 123.120 118.700 0.129 0.000 2.555 197 N HA 0.027 4.767 4.740 0.001 0.000 0.244 197 N C 1.038 176.612 175.510 0.106 0.000 1.114 197 N CA 0.082 53.195 53.050 0.105 0.000 0.963 197 N CB 0.779 39.333 38.487 0.111 0.000 1.276 197 N HN 0.652 nan 8.380 nan 0.000 0.510 198 V N 1.749 121.689 119.914 0.042 0.000 2.688 198 V HA -0.201 3.919 4.120 0.001 0.000 0.256 198 V C 1.451 177.588 176.094 0.072 0.000 1.084 198 V CA 1.435 63.742 62.300 0.011 0.000 1.103 198 V CB -0.580 31.222 31.823 -0.034 0.000 0.688 198 V HN 0.420 nan 8.190 nan 0.000 0.480 199 E N 1.562 121.806 120.200 0.073 0.000 2.033 199 E HA -0.045 4.306 4.350 0.001 0.000 0.189 199 E C 1.856 178.503 176.600 0.080 0.000 0.979 199 E CA 1.413 57.852 56.400 0.065 0.000 0.802 199 E CB -0.569 29.160 29.700 0.048 0.000 0.763 199 E HN 0.753 nan 8.360 nan 0.000 0.449 200 N N -0.063 118.690 118.700 0.087 0.000 2.501 200 N HA 0.013 4.754 4.740 0.001 0.000 0.195 200 N C -0.578 174.978 175.510 0.076 0.000 1.213 200 N CA -0.337 52.753 53.050 0.066 0.000 0.864 200 N CB 0.019 38.540 38.487 0.056 0.000 0.999 200 N HN 0.022 nan 8.380 nan 0.000 0.454 201 F N 2.414 122.347 119.950 -0.029 0.000 2.456 201 F HA 0.215 4.742 4.527 0.000 0.000 0.358 201 F C 0.011 175.766 175.800 -0.074 0.000 1.095 201 F CA 0.033 58.002 58.000 -0.052 0.000 1.216 201 F CB 0.465 39.417 39.000 -0.081 0.000 1.125 201 F HN -0.253 nan 8.300 nan 0.000 0.549 202 K N 3.793 123.768 120.400 -0.708 0.000 2.525 202 K HA 0.275 4.596 4.320 0.001 0.000 0.254 202 K C -0.639 175.544 176.600 -0.696 0.000 0.934 202 K CA -0.914 55.082 56.287 -0.484 0.000 0.802 202 K CB 1.981 34.336 32.500 -0.242 0.000 1.295 202 K HN 0.675 nan 8.250 nan 0.000 0.433 203 T N -1.441 112.770 114.554 -0.571 0.000 2.816 203 T HA 0.358 4.708 4.350 0.001 0.000 0.282 203 T C -0.321 174.244 174.700 -0.226 0.000 0.993 203 T CA -0.533 61.180 62.100 -0.646 0.000 0.994 203 T CB 0.823 69.305 68.868 -0.643 0.000 1.025 203 T HN 0.372 nan 8.240 nan 0.000 0.529 204 D N 0.740 121.137 120.400 -0.005 0.000 2.478 204 D HA 0.191 4.831 4.640 0.001 0.000 0.240 204 D C -0.496 175.858 176.300 0.089 0.000 1.364 204 D CA -0.583 53.441 54.000 0.042 0.000 0.987 204 D CB 1.775 42.608 40.800 0.055 0.000 1.328 204 D HN 0.670 nan 8.370 nan 0.000 0.584 205 K N 3.303 123.730 120.400 0.046 0.000 2.548 205 K HA -0.029 4.291 4.320 0.001 0.000 0.277 205 K C -2.123 174.536 176.600 0.097 0.000 1.001 205 K CA -0.394 55.929 56.287 0.060 0.000 1.102 205 K CB 0.428 32.953 32.500 0.043 0.000 0.848 205 K HN 0.147 nan 8.250 nan 0.000 0.487 206 P HA 0.045 nan 4.420 nan 0.000 0.276 206 P C -0.815 176.622 177.300 0.228 0.000 1.244 206 P CA -0.427 62.783 63.100 0.184 0.000 0.801 206 P CB 0.732 32.572 31.700 0.233 0.000 1.006 207 Q N 0.829 120.716 119.800 0.144 0.000 2.450 207 Q HA 0.066 4.406 4.340 0.001 0.000 0.294 207 Q C -1.960 174.074 176.000 0.056 0.000 1.129 207 Q CA -0.835 55.013 55.803 0.075 0.000 0.970 207 Q CB -1.373 27.376 28.738 0.019 0.000 1.294 207 Q HN 0.393 nan 8.270 nan 0.000 0.453 208 P HA -0.051 nan 4.420 nan 0.000 0.268 208 P C 0.930 177.973 177.300 -0.428 0.000 1.205 208 P CA 0.014 63.025 63.100 -0.148 0.000 0.771 208 P CB 0.520 32.169 31.700 -0.086 0.000 0.858 209 V N 3.130 122.465 119.914 -0.965 0.000 2.380 209 V HA -0.323 3.797 4.120 0.001 0.000 0.251 209 V C 1.899 177.743 176.094 -0.416 0.000 1.063 209 V CA 2.349 64.047 62.300 -1.004 0.000 1.055 209 V CB -0.993 30.158 31.823 -1.121 0.000 0.657 209 V HN 0.558 nan 8.190 nan 0.000 0.455 210 N N -0.222 118.307 118.700 -0.285 0.000 2.120 210 N HA -0.112 4.628 4.740 0.001 0.000 0.188 210 N C 1.795 177.233 175.510 -0.119 0.000 1.024 210 N CA 1.666 54.622 53.050 -0.157 0.000 0.852 210 N CB -0.417 38.006 38.487 -0.107 0.000 1.003 210 N HN 0.558 nan 8.380 nan 0.000 0.424 211 A N 0.452 123.202 122.820 -0.117 0.000 1.873 211 A HA -0.066 4.255 4.320 0.001 0.000 0.215 211 A C 2.169 179.706 177.584 -0.077 0.000 1.186 211 A CA 0.908 52.899 52.037 -0.076 0.000 0.616 211 A CB -0.770 18.194 19.000 -0.059 0.000 0.823 211 A HN 0.249 nan 8.150 nan 0.000 0.442 212 L N -0.906 120.252 121.223 -0.108 0.000 1.971 212 L HA -0.233 4.107 4.340 0.001 0.000 0.215 212 L C 2.666 179.488 176.870 -0.080 0.000 1.072 212 L CA 1.693 56.480 54.840 -0.088 0.000 0.758 212 L CB -0.670 41.324 42.059 -0.110 0.000 0.889 212 L HN 0.434 nan 8.230 nan 0.000 0.433 213 L N -0.200 120.961 121.223 -0.105 0.000 2.043 213 L HA -0.291 4.050 4.340 0.001 0.000 0.212 213 L C 2.724 179.559 176.870 -0.058 0.000 1.075 213 L CA 1.647 56.434 54.840 -0.087 0.000 0.752 213 L CB -0.198 41.805 42.059 -0.094 0.000 0.891 213 L HN 0.234 nan 8.230 nan 0.000 0.432 214 K N -0.786 119.585 120.400 -0.047 0.000 2.148 214 K HA -0.235 4.085 4.320 0.001 0.000 0.204 214 K C 1.939 178.528 176.600 -0.017 0.000 1.050 214 K CA 1.520 57.793 56.287 -0.023 0.000 0.942 214 K CB -0.007 32.480 32.500 -0.021 0.000 0.724 214 K HN 0.379 nan 8.250 nan 0.000 0.446 215 E N 0.785 120.970 120.200 -0.026 0.000 2.076 215 E HA -0.115 4.235 4.350 0.001 0.000 0.190 215 E C 1.923 178.513 176.600 -0.017 0.000 0.979 215 E CA 0.873 57.262 56.400 -0.018 0.000 0.807 215 E CB -0.019 29.669 29.700 -0.019 0.000 0.761 215 E HN 0.256 nan 8.360 nan 0.000 0.454 216 A N 1.137 123.940 122.820 -0.029 0.000 1.917 216 A HA -0.267 4.053 4.320 0.001 0.000 0.219 216 A C 2.014 179.581 177.584 -0.029 0.000 1.182 216 A CA 1.837 53.854 52.037 -0.033 0.000 0.633 216 A CB -0.708 18.261 19.000 -0.051 0.000 0.819 216 A HN 0.419 nan 8.150 nan 0.000 0.448 217 E N -0.796 119.388 120.200 -0.026 0.000 2.401 217 E HA -0.117 4.233 4.350 0.001 0.000 0.199 217 E C 0.838 177.457 176.600 0.031 0.000 1.023 217 E CA 0.973 57.377 56.400 0.007 0.000 0.859 217 E CB 0.008 29.730 29.700 0.038 0.000 0.780 217 E HN 0.606 nan 8.360 nan 0.000 0.523 218 K N -1.100 119.309 120.400 0.015 0.000 2.533 218 K HA 0.234 4.555 4.320 0.001 0.000 0.202 218 K C 0.576 177.183 176.600 0.012 0.000 1.096 218 K CA -0.153 56.144 56.287 0.018 0.000 1.056 218 K CB 0.989 33.498 32.500 0.015 0.000 0.890 218 K HN -0.143 nan 8.250 nan 0.000 0.552 219 R N -0.408 120.095 120.500 0.006 0.000 2.688 219 R HA 0.053 4.393 4.340 0.001 0.000 0.236 219 R C -0.057 176.244 176.300 0.001 0.000 0.981 219 R CA -0.192 55.911 56.100 0.004 0.000 1.139 219 R CB -0.315 29.984 30.300 -0.002 0.000 1.677 219 R HN 0.057 nan 8.270 nan 0.000 0.554 220 N N 2.851 121.548 118.700 -0.005 0.000 2.386 220 N HA -0.060 4.680 4.740 0.001 0.000 0.273 220 N C 1.264 176.774 175.510 0.000 0.000 1.331 220 N CA 0.191 53.235 53.050 -0.010 0.000 0.891 220 N CB 0.344 38.818 38.487 -0.022 0.000 1.139 220 N HN 0.120 nan 8.380 nan 0.000 0.487 221 L N 2.057 123.281 121.223 0.000 0.000 2.187 221 L HA -0.220 4.121 4.340 0.001 0.000 0.213 221 L C 1.995 178.871 176.870 0.011 0.000 1.100 221 L CA 0.990 55.835 54.840 0.008 0.000 0.765 221 L CB -0.368 41.694 42.059 0.004 0.000 0.904 221 L HN 0.564 nan 8.230 nan 0.000 0.437 222 S N -0.129 115.574 115.700 0.004 0.000 2.357 222 S HA -0.129 4.341 4.470 0.001 0.000 0.221 222 S C 1.813 176.420 174.600 0.012 0.000 1.031 222 S CA 0.833 59.037 58.200 0.006 0.000 0.982 222 S CB -0.230 62.970 63.200 -0.001 0.000 0.853 222 S HN 0.230 nan 8.310 nan 0.000 0.458 223 L N 1.853 123.082 121.223 0.011 0.000 2.083 223 L HA 0.009 4.350 4.340 0.001 0.000 0.209 223 L C 2.051 178.940 176.870 0.031 0.000 1.083 223 L CA 1.266 56.121 54.840 0.025 0.000 0.752 223 L CB -0.753 41.323 42.059 0.028 0.000 0.899 223 L HN 0.265 nan 8.230 nan 0.000 0.433 224 L N -0.539 120.700 121.223 0.027 0.000 2.013 224 L HA -0.280 4.060 4.340 0.001 0.000 0.212 224 L C 2.464 179.353 176.870 0.031 0.000 1.073 224 L CA 1.939 56.797 54.840 0.031 0.000 0.753 224 L CB -0.798 41.279 42.059 0.031 0.000 0.890 224 L HN 0.434 nan 8.230 nan 0.000 0.432 225 Q N -0.985 118.832 119.800 0.029 0.000 2.119 225 Q HA -0.149 4.192 4.340 0.001 0.000 0.201 225 Q C 2.210 178.223 176.000 0.021 0.000 0.972 225 Q CA 1.443 57.263 55.803 0.027 0.000 0.847 225 Q CB -0.293 28.460 28.738 0.027 0.000 0.903 225 Q HN 0.719 nan 8.270 nan 0.000 0.433 226 A N 1.033 123.863 122.820 0.017 0.000 2.024 226 A HA -0.215 4.105 4.320 0.001 0.000 0.220 226 A C 1.918 179.505 177.584 0.005 0.000 1.164 226 A CA 1.237 53.278 52.037 0.007 0.000 0.643 226 A CB -0.294 18.712 19.000 0.010 0.000 0.806 226 A HN 0.232 nan 8.150 nan 0.000 0.451 227 R N -0.627 119.885 120.500 0.019 0.000 2.055 227 R HA 0.069 4.410 4.340 0.001 0.000 0.228 227 R C 2.084 178.403 176.300 0.031 0.000 1.143 227 R CA 1.276 57.390 56.100 0.024 0.000 0.945 227 R CB -0.542 29.777 30.300 0.032 0.000 0.841 227 R HN 0.451 nan 8.270 nan 0.000 0.429 228 L N 0.542 121.784 121.223 0.033 0.000 2.013 228 L HA -0.232 4.109 4.340 0.001 0.000 0.212 228 L C 2.373 179.264 176.870 0.034 0.000 1.073 228 L CA 1.446 56.307 54.840 0.035 0.000 0.753 228 L CB -0.529 41.550 42.059 0.034 0.000 0.890 228 L HN 0.226 nan 8.230 nan 0.000 0.432 229 S N -0.998 114.717 115.700 0.025 0.000 2.402 229 S HA -0.242 4.228 4.470 0.001 0.000 0.229 229 S C 1.868 176.482 174.600 0.024 0.000 1.021 229 S CA 1.194 59.406 58.200 0.020 0.000 0.974 229 S CB -0.176 63.029 63.200 0.008 0.000 0.800 229 S HN 0.442 nan 8.310 nan 0.000 0.484 230 Q N 0.997 120.803 119.800 0.010 0.000 2.119 230 Q HA -0.192 4.148 4.340 0.001 0.000 0.201 230 Q C 1.782 177.867 176.000 0.141 0.000 0.972 230 Q CA 1.697 57.493 55.803 -0.011 0.000 0.847 230 Q CB -0.196 28.499 28.738 -0.072 0.000 0.903 230 Q HN 0.601 nan 8.270 nan 0.000 0.433 231 D N -0.014 120.460 120.400 0.122 0.000 2.092 231 D HA -0.226 4.415 4.640 0.001 0.000 0.193 231 D C 1.977 178.355 176.300 0.130 0.000 0.994 231 D CA 1.268 55.352 54.000 0.140 0.000 0.828 231 D CB -0.193 40.657 40.800 0.083 0.000 0.963 231 D HN 0.280 nan 8.370 nan 0.000 0.450 232 L N 0.435 121.712 121.223 0.089 0.000 2.081 232 L HA -0.077 4.263 4.340 0.001 0.000 0.212 232 L C 2.153 179.084 176.870 0.101 0.000 1.080 232 L CA 2.082 56.964 54.840 0.069 0.000 0.754 232 L CB -0.906 41.178 42.059 0.042 0.000 0.893 232 L HN 0.182 nan 8.230 nan 0.000 0.433 233 A N -0.707 122.210 122.820 0.162 0.000 1.969 233 A HA -0.219 4.102 4.320 0.001 0.000 0.218 233 A C 2.525 180.288 177.584 0.299 0.000 1.169 233 A CA 1.646 53.825 52.037 0.236 0.000 0.635 233 A CB -0.572 18.586 19.000 0.264 0.000 0.810 233 A HN 0.523 nan 8.150 nan 0.000 0.445 234 R N -0.499 120.184 120.500 0.305 0.000 2.062 234 R HA -0.145 4.196 4.340 0.001 0.000 0.229 234 R C 2.104 178.388 176.300 -0.026 0.000 1.128 234 R CA 1.638 57.729 56.100 -0.014 0.000 0.960 234 R CB -0.267 30.003 30.300 -0.050 0.000 0.855 234 R HN 0.413 nan 8.270 nan 0.000 0.432 235 E N 0.924 121.140 120.200 0.026 0.000 2.130 235 E HA -0.231 4.120 4.350 0.001 0.000 0.196 235 E C 1.846 178.448 176.600 0.003 0.000 0.998 235 E CA 1.821 58.227 56.400 0.009 0.000 0.806 235 E CB -0.011 29.703 29.700 0.022 0.000 0.738 235 E HN 0.480 nan 8.360 nan 0.000 0.459 236 Q N -0.512 119.300 119.800 0.021 0.000 2.230 236 Q HA -0.044 4.296 4.340 0.001 0.000 0.202 236 Q C 2.277 178.275 176.000 -0.005 0.000 0.963 236 Q CA 1.087 56.898 55.803 0.013 0.000 0.866 236 Q CB -0.031 28.727 28.738 0.034 0.000 0.931 236 Q HN 0.404 nan 8.270 nan 0.000 0.452 237 I N 0.540 121.098 120.570 -0.020 0.000 2.179 237 I HA -0.296 3.874 4.170 0.001 0.000 0.242 237 I C 2.295 178.381 176.117 -0.052 0.000 1.088 237 I CA 1.276 62.545 61.300 -0.052 0.000 1.357 237 I CB -0.270 37.655 38.000 -0.126 0.000 1.051 237 I HN 0.172 nan 8.210 nan 0.000 0.409 238 R N 0.409 120.878 120.500 -0.051 0.000 2.083 238 R HA -0.258 4.083 4.340 0.001 0.000 0.237 238 R C 2.325 178.609 176.300 -0.026 0.000 1.137 238 R CA 1.767 57.846 56.100 -0.035 0.000 0.951 238 R CB -0.504 29.778 30.300 -0.029 0.000 0.851 238 R HN 0.458 nan 8.270 nan 0.000 0.434 239 Q N 0.591 120.377 119.800 -0.024 0.000 2.077 239 Q HA -0.232 4.109 4.340 0.001 0.000 0.206 239 Q C 2.085 178.057 176.000 -0.047 0.000 0.989 239 Q CA 2.021 57.807 55.803 -0.028 0.000 0.853 239 Q CB -0.179 28.546 28.738 -0.022 0.000 0.907 239 Q HN 0.408 nan 8.270 nan 0.000 0.418 240 A N 0.656 123.446 122.820 -0.051 0.000 1.917 240 A HA -0.277 4.044 4.320 0.001 0.000 0.219 240 A C 1.932 179.443 177.584 -0.122 0.000 1.182 240 A CA 1.909 53.900 52.037 -0.077 0.000 0.633 240 A CB -0.673 18.291 19.000 -0.060 0.000 0.819 240 A HN 0.625 nan 8.150 nan 0.000 0.448 241 Q N -0.591 119.160 119.800 -0.080 0.000 2.224 241 Q HA -0.149 4.191 4.340 0.001 0.000 0.203 241 Q C 1.025 176.993 176.000 -0.054 0.000 0.970 241 Q CA 1.098 56.867 55.803 -0.055 0.000 0.865 241 Q CB -0.216 28.540 28.738 0.030 0.000 0.922 241 Q HN 0.574 nan 8.270 nan 0.000 0.445 242 D N 0.334 120.706 120.400 -0.047 0.000 2.309 242 D HA -0.095 4.546 4.640 0.001 0.000 0.212 242 D C 1.758 178.024 176.300 -0.056 0.000 0.968 242 D CA 1.038 55.025 54.000 -0.021 0.000 0.882 242 D CB -0.450 40.334 40.800 -0.027 0.000 0.918 242 D HN 0.396 nan 8.370 nan 0.000 0.503 243 G N -0.703 108.002 108.800 -0.159 0.000 2.586 243 G HA2 -0.232 3.729 3.960 0.001 0.000 0.215 243 G HA3 -0.232 3.729 3.960 0.001 0.000 0.215 243 G C 1.146 175.942 174.900 -0.174 0.000 1.128 243 G CA 0.546 45.528 45.100 -0.197 0.000 0.774 243 G HN 0.433 nan 8.290 nan 0.000 0.543 244 H N -1.072 118.002 119.070 0.007 0.000 2.553 244 H HA 0.314 4.870 4.556 0.001 0.000 0.276 244 H C 0.967 176.314 175.328 0.031 0.000 0.979 244 H CA -0.627 55.432 56.048 0.018 0.000 1.268 244 H CB 0.360 30.136 29.762 0.023 0.000 1.450 244 H HN 0.163 nan 8.280 nan 0.000 0.527 245 L N 3.256 124.574 121.223 0.158 0.000 2.467 245 L HA 0.150 4.491 4.340 0.001 0.000 0.270 245 L C -1.913 175.018 176.870 0.102 0.000 1.205 245 L CA -1.843 53.092 54.840 0.158 0.000 0.828 245 L CB 0.173 42.363 42.059 0.218 0.000 1.101 245 L HN 0.074 nan 8.230 nan 0.000 0.479 246 P HA 0.304 nan 4.420 nan 0.000 0.283 246 P C -1.119 176.200 177.300 0.030 0.000 1.278 246 P CA -0.415 62.619 63.100 -0.111 0.000 0.834 246 P CB 1.664 33.175 31.700 -0.316 0.000 1.150 247 T N -1.640 112.834 114.554 -0.133 0.000 2.907 247 T HA 0.634 4.984 4.350 0.001 0.000 0.292 247 T C -0.899 173.810 174.700 0.014 0.000 1.043 247 T CA -0.811 61.318 62.100 0.049 0.000 1.003 247 T CB 1.267 70.125 68.868 -0.015 0.000 1.084 247 T HN 0.304 nan 8.240 nan 0.000 0.483 248 L N 1.651 122.978 121.223 0.173 0.000 2.406 248 L HA 0.682 5.023 4.340 0.001 0.000 0.270 248 L C -1.676 175.276 176.870 0.137 0.000 0.982 248 L CA -0.119 54.823 54.840 0.170 0.000 0.843 248 L CB 1.351 43.553 42.059 0.238 0.000 1.225 248 L HN 0.826 nan 8.230 nan 0.000 0.412 249 D N 3.793 124.250 120.400 0.094 0.000 2.350 249 D HA 0.596 5.236 4.640 0.001 0.000 0.238 249 D C -1.120 175.221 176.300 0.068 0.000 0.989 249 D CA -0.331 53.710 54.000 0.069 0.000 0.921 249 D CB 2.421 43.243 40.800 0.038 0.000 1.297 249 D HN 0.544 nan 8.370 nan 0.000 0.490 250 L N 1.028 122.284 121.223 0.055 0.000 2.346 250 L HA 0.721 5.061 4.340 0.001 0.000 0.276 250 L C -1.016 175.874 176.870 0.033 0.000 1.006 250 L CA -0.282 54.587 54.840 0.048 0.000 0.817 250 L CB 1.419 43.507 42.059 0.049 0.000 1.272 250 L HN 0.608 nan 8.230 nan 0.000 0.421 251 T N 1.710 116.282 114.554 0.030 0.000 2.907 251 T HA 0.921 5.271 4.350 0.001 0.000 0.292 251 T C -0.637 174.074 174.700 0.020 0.000 1.043 251 T CA -0.605 61.508 62.100 0.022 0.000 1.003 251 T CB 2.004 70.884 68.868 0.020 0.000 1.084 251 T HN 0.879 nan 8.240 nan 0.000 0.483 252 A N 1.419 124.248 122.820 0.015 0.000 2.549 252 A HA 0.967 5.288 4.320 0.001 0.000 0.297 252 A C -0.407 177.184 177.584 0.011 0.000 1.061 252 A CA -0.630 51.415 52.037 0.014 0.000 0.690 252 A CB 1.471 20.480 19.000 0.014 0.000 1.287 252 A HN 1.982 nan 8.150 nan 0.000 0.402 253 S N -0.412 115.294 115.700 0.010 0.000 2.595 253 S HA 0.794 5.265 4.470 0.001 0.000 0.270 253 S C -0.898 173.706 174.600 0.008 0.000 1.145 253 S CA -0.116 58.089 58.200 0.008 0.000 0.825 253 S CB 1.493 64.697 63.200 0.007 0.000 1.107 253 S HN 1.961 nan 8.310 nan 0.000 0.461 254 T N 0.125 114.683 114.554 0.007 0.000 3.143 254 T HA 0.719 5.070 4.350 0.001 0.000 0.312 254 T C -0.303 174.400 174.700 0.006 0.000 0.986 254 T CA 0.265 62.368 62.100 0.006 0.000 1.024 254 T CB 0.570 69.442 68.868 0.007 0.000 1.030 254 T HN 1.618 nan 8.240 nan 0.000 0.448 255 G N 3.705 112.508 108.800 0.005 0.000 2.660 255 G HA2 0.739 4.700 3.960 0.001 0.000 0.294 255 G HA3 0.739 4.700 3.960 0.001 0.000 0.294 255 G C -0.987 173.915 174.900 0.003 0.000 1.369 255 G CA -0.924 44.178 45.100 0.004 0.000 0.912 255 G HN 1.054 nan 8.290 nan 0.000 0.479 256 I N -1.085 119.487 120.570 0.003 0.000 2.797 256 I HA 0.917 5.088 4.170 0.001 0.000 0.307 256 I C -0.320 175.795 176.117 -0.004 0.000 1.033 256 I CA -1.026 60.275 61.300 0.002 0.000 1.071 256 I CB 2.697 40.699 38.000 0.004 0.000 1.255 256 I HN 0.582 nan 8.210 nan 0.000 0.445 257 S N 1.705 117.400 115.700 -0.008 0.000 2.689 257 S HA 0.481 4.951 4.470 0.001 0.000 0.274 257 S C -1.750 172.835 174.600 -0.026 0.000 1.176 257 S CA -0.842 57.346 58.200 -0.021 0.000 1.014 257 S CB 1.216 64.402 63.200 -0.023 0.000 1.071 257 S HN 0.653 nan 8.310 nan 0.000 0.478 258 D N 2.788 123.165 120.400 -0.039 0.000 2.414 258 D HA 0.564 5.205 4.640 0.001 0.000 0.232 258 D C -0.541 175.701 176.300 -0.096 0.000 1.070 258 D CA -0.035 53.938 54.000 -0.045 0.000 0.839 258 D CB 1.694 42.479 40.800 -0.025 0.000 1.079 258 D HN 0.557 nan 8.370 nan 0.000 0.521 259 T N 0.405 114.894 114.554 -0.109 0.000 2.855 259 T HA 0.722 5.073 4.350 0.001 0.000 0.281 259 T C -0.174 174.385 174.700 -0.234 0.000 1.007 259 T CA -0.906 61.057 62.100 -0.228 0.000 1.009 259 T CB 1.337 70.051 68.868 -0.256 0.000 0.983 259 T HN 0.292 nan 8.240 nan 0.000 0.455 260 S N 1.663 117.142 115.700 -0.368 0.000 2.619 260 S HA 0.663 5.133 4.470 0.001 0.000 0.280 260 S C -1.379 172.990 174.600 -0.385 0.000 1.150 260 S CA -0.911 57.151 58.200 -0.231 0.000 0.978 260 S CB 0.652 63.800 63.200 -0.087 0.000 1.041 260 S HN 0.580 nan 8.310 nan 0.000 0.485 261 Y N 1.653 121.917 120.300 -0.060 0.000 2.480 261 Y HA 0.811 5.362 4.550 0.001 0.000 0.323 261 Y C 0.991 176.844 175.900 -0.077 0.000 1.267 261 Y CA -0.140 57.883 58.100 -0.128 0.000 1.336 261 Y CB 1.801 40.120 38.460 -0.235 0.000 1.361 261 Y HN 1.082 nan 8.280 nan 0.000 0.518 262 S N -0.620 115.120 115.700 0.066 0.000 2.586 262 S HA 0.777 5.248 4.470 0.001 0.000 0.277 262 S C -0.691 173.925 174.600 0.027 0.000 1.131 262 S CA -0.344 57.888 58.200 0.054 0.000 0.848 262 S CB 1.351 64.586 63.200 0.058 0.000 1.091 262 S HN 1.763 nan 8.310 nan 0.000 0.453 263 G N 1.098 109.925 108.800 0.046 0.000 2.354 263 G HA2 0.297 4.258 3.960 0.001 0.000 0.582 263 G HA3 0.297 4.258 3.960 0.001 0.000 0.582 263 G C 0.307 175.239 174.900 0.054 0.000 1.316 263 G CA -0.000 45.125 45.100 0.043 0.000 0.995 263 G HN 1.416 nan 8.290 nan 0.000 0.573 264 S N 0.261 115.992 115.700 0.051 0.000 2.492 264 S HA -0.180 4.291 4.470 0.001 0.000 0.234 264 S C 2.036 176.682 174.600 0.076 0.000 1.050 264 S CA 1.897 60.130 58.200 0.056 0.000 1.203 264 S CB -0.448 62.782 63.200 0.049 0.000 1.161 264 S HN 0.721 nan 8.310 nan 0.000 0.417 265 K N 0.968 121.419 120.400 0.086 0.000 2.589 265 K HA -0.052 4.268 4.320 0.001 0.000 0.195 265 K C 1.466 178.224 176.600 0.262 0.000 1.042 265 K CA 1.089 57.459 56.287 0.138 0.000 0.940 265 K CB -0.396 32.189 32.500 0.143 0.000 0.776 265 K HN 0.387 nan 8.250 nan 0.000 0.487 266 T N -0.090 114.592 114.554 0.213 0.000 3.039 266 T HA 0.047 4.398 4.350 0.001 0.000 0.250 266 T C 0.650 175.470 174.700 0.200 0.000 1.052 266 T CA 0.076 62.378 62.100 0.336 0.000 1.125 266 T CB 0.222 69.192 68.868 0.169 0.000 0.908 266 T HN 0.117 nan 8.240 nan 0.000 0.473 267 R N 1.849 122.420 120.500 0.119 0.000 2.878 267 R HA 0.434 4.775 4.340 0.001 0.000 0.239 267 R C 1.002 177.333 176.300 0.052 0.000 1.515 267 R CA 0.225 56.370 56.100 0.076 0.000 1.210 267 R CB -0.243 30.092 30.300 0.058 0.000 1.209 267 R HN 0.512 nan 8.270 nan 0.000 0.610 268 G N 0.520 109.342 108.800 0.038 0.000 1.745 268 G HA2 -0.242 3.719 3.960 0.001 0.000 0.063 268 G HA3 -0.242 3.719 3.960 0.001 0.000 0.063 268 G C 0.852 175.736 174.900 -0.027 0.000 1.838 268 G CA -0.034 45.071 45.100 0.008 0.000 1.210 268 G HN 0.406 nan 8.290 nan 0.000 0.375 269 A N 0.532 123.325 122.820 -0.046 0.000 2.040 269 A HA 0.083 4.403 4.320 0.001 0.000 0.232 269 A C 3.076 180.570 177.584 -0.149 0.000 1.545 269 A CA 4.400 56.373 52.037 -0.107 0.000 0.720 269 A CB -1.217 17.688 19.000 -0.159 0.000 0.833 269 A HN 2.830 nan 8.150 nan 0.000 0.533 270 A N -3.671 119.058 122.820 -0.151 0.000 5.078 270 A HA 0.008 4.329 4.320 0.001 0.000 0.342 270 A C 2.405 179.860 177.584 -0.215 0.000 1.749 270 A CA 3.431 55.383 52.037 -0.142 0.000 0.700 270 A CB -1.902 17.051 19.000 -0.078 0.000 1.446 270 A HN 2.646 nan 8.150 nan 0.000 0.395 271 G N -2.790 105.916 108.800 -0.157 0.000 2.200 271 G HA2 -0.055 3.905 3.960 0.001 0.000 0.268 271 G HA3 -0.055 3.905 3.960 0.001 0.000 0.268 271 G C 1.353 176.166 174.900 -0.146 0.000 0.986 271 G CA 1.879 46.884 45.100 -0.158 0.000 0.677 271 G HN 2.618 nan 8.290 nan 0.000 0.532 272 T N -1.783 112.697 114.554 -0.123 0.000 6.387 272 T HA -0.329 4.022 4.350 0.001 0.000 0.290 272 T C 1.593 176.237 174.700 -0.093 0.000 1.901 272 T CA 2.299 64.352 62.100 -0.079 0.000 3.035 272 T CB -1.284 67.554 68.868 -0.049 0.000 1.917 272 T HN 0.809 nan 8.240 nan 0.000 1.121 273 Q N -0.484 119.199 119.800 -0.196 0.000 2.036 273 Q HA 0.027 4.367 4.340 0.001 0.000 0.195 273 Q C 1.222 177.170 176.000 -0.087 0.000 0.971 273 Q CA 1.126 56.806 55.803 -0.205 0.000 0.826 273 Q CB -0.014 28.468 28.738 -0.426 0.000 0.896 273 Q HN 0.675 nan 8.270 nan 0.000 0.449 274 Y N 1.650 121.785 120.300 -0.276 0.000 2.542 274 Y HA 0.073 4.624 4.550 0.001 0.000 0.326 274 Y C 0.041 175.946 175.900 0.008 0.000 1.218 274 Y CA -0.462 57.451 58.100 -0.312 0.000 1.277 274 Y CB -0.773 37.565 38.460 -0.204 0.000 1.064 274 Y HN -0.002 nan 8.280 nan 0.000 0.499 275 D N 0.807 121.301 120.400 0.157 0.000 2.341 275 D HA 0.004 4.644 4.640 0.001 0.000 0.245 275 D C -0.340 176.088 176.300 0.213 0.000 1.106 275 D CA -0.117 53.973 54.000 0.149 0.000 0.905 275 D CB 0.880 41.726 40.800 0.076 0.000 1.202 275 D HN 0.075 nan 8.370 nan 0.000 0.426 276 D N 0.604 121.102 120.400 0.163 0.000 2.412 276 D HA -0.013 4.628 4.640 0.001 0.000 0.257 276 D C 0.135 176.495 176.300 0.100 0.000 1.217 276 D CA 0.449 54.525 54.000 0.127 0.000 0.897 276 D CB 0.333 41.175 40.800 0.069 0.000 1.132 276 D HN -0.008 nan 8.370 nan 0.000 0.493 277 S N 2.926 118.691 115.700 0.109 0.000 2.499 277 S HA 0.285 4.756 4.470 0.001 0.000 0.279 277 S C -0.280 174.340 174.600 0.034 0.000 1.219 277 S CA -0.831 57.416 58.200 0.078 0.000 1.062 277 S CB 0.292 63.555 63.200 0.105 0.000 0.978 277 S HN 0.275 nan 8.310 nan 0.000 0.489 278 N N 5.148 123.864 118.700 0.027 0.000 2.790 278 N HA 0.196 4.936 4.740 0.001 0.000 0.256 278 N C -0.772 174.746 175.510 0.013 0.000 1.409 278 N CA -0.412 52.647 53.050 0.014 0.000 0.799 278 N CB 0.890 39.385 38.487 0.014 0.000 1.170 278 N HN 0.537 nan 8.380 nan 0.000 0.507 279 M N 0.559 120.166 119.600 0.011 0.000 2.240 279 M HA 0.357 4.837 4.480 0.001 0.000 0.333 279 M C 1.065 177.369 176.300 0.007 0.000 1.110 279 M CA -0.152 55.155 55.300 0.011 0.000 1.173 279 M CB 0.545 33.151 32.600 0.010 0.000 1.458 279 M HN 0.288 nan 8.290 nan 0.000 0.458 280 G N 1.837 110.642 108.800 0.008 0.000 2.701 280 G HA2 0.627 4.587 3.960 0.001 0.000 0.300 280 G HA3 0.627 4.587 3.960 0.001 0.000 0.300 280 G C -1.267 173.638 174.900 0.007 0.000 1.410 280 G CA -0.438 44.666 45.100 0.007 0.000 1.014 280 G HN 0.527 nan 8.290 nan 0.000 0.509 281 Q N 0.796 120.600 119.800 0.006 0.000 2.377 281 Q HA 0.391 4.731 4.340 0.001 0.000 0.279 281 Q C -1.269 174.735 176.000 0.007 0.000 1.049 281 Q CA -0.823 54.984 55.803 0.007 0.000 0.825 281 Q CB 2.970 31.712 28.738 0.007 0.000 1.401 281 Q HN 0.624 nan 8.270 nan 0.000 0.404 282 N N 1.711 120.416 118.700 0.008 0.000 2.296 282 N HA 0.505 5.246 4.740 0.001 0.000 0.294 282 N C -1.071 174.444 175.510 0.009 0.000 1.033 282 N CA -0.415 52.640 53.050 0.008 0.000 0.839 282 N CB 2.266 40.757 38.487 0.008 0.000 1.395 282 N HN 0.340 nan 8.380 nan 0.000 0.479 283 K N 0.244 120.650 120.400 0.010 0.000 2.508 283 K HA 0.693 5.013 4.320 0.001 0.000 0.260 283 K C -1.024 175.584 176.600 0.013 0.000 0.949 283 K CA -0.971 55.323 56.287 0.011 0.000 0.834 283 K CB 2.791 35.298 32.500 0.011 0.000 1.365 283 K HN 0.328 nan 8.250 nan 0.000 0.437 284 V N -2.502 117.421 119.914 0.015 0.000 3.012 284 V HA 0.975 5.096 4.120 0.001 0.000 0.307 284 V C -0.662 175.445 176.094 0.022 0.000 1.166 284 V CA -0.425 61.886 62.300 0.019 0.000 0.974 284 V CB 1.759 33.593 31.823 0.018 0.000 1.040 284 V HN 0.967 nan 8.190 nan 0.000 0.428 285 G N 2.200 111.016 108.800 0.027 0.000 2.576 285 G HA2 0.646 4.607 3.960 0.001 0.000 0.290 285 G HA3 0.646 4.607 3.960 0.001 0.000 0.290 285 G C -2.034 172.891 174.900 0.042 0.000 1.442 285 G CA -0.920 44.199 45.100 0.032 0.000 0.792 285 G HN 0.983 nan 8.290 nan 0.000 0.491 286 L N 0.508 121.762 121.223 0.052 0.000 2.362 286 L HA 0.758 5.099 4.340 0.001 0.000 0.271 286 L C -0.107 176.815 176.870 0.088 0.000 1.002 286 L CA -1.001 53.882 54.840 0.072 0.000 0.818 286 L CB 2.248 44.353 42.059 0.077 0.000 1.298 286 L HN 0.524 nan 8.230 nan 0.000 0.420 287 S N 2.249 118.011 115.700 0.104 0.000 2.605 287 S HA 0.561 5.031 4.470 0.001 0.000 0.308 287 S C -1.179 173.521 174.600 0.166 0.000 1.113 287 S CA -0.448 57.822 58.200 0.116 0.000 1.049 287 S CB 0.699 63.942 63.200 0.072 0.000 1.001 287 S HN 0.394 nan 8.310 nan 0.000 0.480 288 F N 4.471 124.444 119.950 0.039 0.000 2.436 288 F HA 0.728 5.255 4.527 0.001 0.000 0.340 288 F C -0.180 175.647 175.800 0.045 0.000 1.113 288 F CA -0.197 57.830 58.000 0.046 0.000 1.022 288 F CB 1.607 40.627 39.000 0.033 0.000 1.128 288 F HN 0.490 nan 8.300 nan 0.000 0.466 289 S N 6.923 122.306 115.700 -0.529 0.000 2.614 289 S HA 0.703 5.174 4.470 0.001 0.000 0.288 289 S C -2.088 172.206 174.600 -0.510 0.000 1.137 289 S CA -0.604 57.399 58.200 -0.329 0.000 0.992 289 S CB 1.183 64.300 63.200 -0.138 0.000 1.026 289 S HN 0.785 nan 8.310 nan 0.000 0.486 290 L N 6.390 127.450 121.223 -0.272 0.000 2.404 290 L HA 0.737 5.077 4.340 0.001 0.000 0.272 290 L C -2.734 174.136 176.870 -0.001 0.000 0.980 290 L CA -1.436 53.314 54.840 -0.150 0.000 0.836 290 L CB 1.425 43.474 42.059 -0.017 0.000 1.238 290 L HN 0.437 nan 8.230 nan 0.000 0.408 291 P HA 0.372 nan 4.420 nan 0.000 0.271 291 P C 0.350 177.703 177.300 0.089 0.000 1.216 291 P CA -0.065 63.061 63.100 0.043 0.000 0.771 291 P CB 1.009 32.731 31.700 0.037 0.000 0.864 292 I N 0.870 121.504 120.570 0.106 0.000 3.300 292 I HA 0.132 4.302 4.170 0.001 0.000 0.279 292 I C -0.147 176.101 176.117 0.218 0.000 1.172 292 I CA 0.351 61.734 61.300 0.138 0.000 1.431 292 I CB 0.285 38.361 38.000 0.127 0.000 1.240 292 I HN 0.286 nan 8.210 nan 0.000 0.453 293 Y N 1.824 122.153 120.300 0.048 0.000 2.333 293 Y HA 0.299 4.849 4.550 0.001 0.000 0.319 293 Y C -1.396 174.529 175.900 0.041 0.000 1.200 293 Y CA -1.058 57.070 58.100 0.047 0.000 1.084 293 Y CB 1.025 39.505 38.460 0.033 0.000 1.268 293 Y HN 0.028 nan 8.280 nan 0.000 0.422 294 Q N 4.992 124.402 119.800 -0.651 0.000 2.628 294 Q HA 0.366 4.706 4.340 0.001 0.000 0.397 294 Q C 0.841 176.450 176.000 -0.652 0.000 0.916 294 Q CA -0.121 55.363 55.803 -0.532 0.000 1.071 294 Q CB 1.284 29.883 28.738 -0.231 0.000 1.367 294 Q HN 1.161 nan 8.270 nan 0.000 0.404 295 G N 0.496 108.616 108.800 -1.134 0.000 2.258 295 G HA2 -0.320 3.641 3.960 0.001 0.000 0.274 295 G HA3 -0.320 3.641 3.960 0.001 0.000 0.274 295 G C 0.876 175.649 174.900 -0.213 0.000 1.021 295 G CA 0.567 45.381 45.100 -0.476 0.000 0.798 295 G HN 0.987 nan 8.290 nan 0.000 0.507 296 G N -0.980 107.681 108.800 -0.233 0.000 2.267 296 G HA2 -0.378 3.583 3.960 0.001 0.000 0.257 296 G HA3 -0.378 3.583 3.960 0.001 0.000 0.257 296 G C 1.338 176.227 174.900 -0.018 0.000 0.998 296 G CA 1.637 46.747 45.100 0.015 0.000 0.620 296 G HN 1.564 nan 8.290 nan 0.000 0.529 297 M N 0.905 120.456 119.600 -0.082 0.000 2.308 297 M HA -0.237 4.244 4.480 0.001 0.000 0.257 297 M C 2.509 178.774 176.300 -0.058 0.000 1.070 297 M CA 3.323 58.583 55.300 -0.067 0.000 1.080 297 M CB -0.499 32.044 32.600 -0.096 0.000 1.274 297 M HN 0.406 nan 8.290 nan 0.000 0.434 298 V N 1.337 121.201 119.914 -0.082 0.000 2.453 298 V HA -0.314 3.807 4.120 0.001 0.000 0.252 298 V C 2.084 178.125 176.094 -0.089 0.000 1.068 298 V CA 2.194 64.397 62.300 -0.162 0.000 1.070 298 V CB -1.398 30.188 31.823 -0.394 0.000 0.664 298 V HN 0.571 nan 8.190 nan 0.000 0.461 299 N N -0.314 118.412 118.700 0.043 0.000 2.251 299 N HA -0.080 4.660 4.740 0.001 0.000 0.181 299 N C 2.154 177.677 175.510 0.021 0.000 1.019 299 N CA 1.409 54.502 53.050 0.071 0.000 0.862 299 N CB -0.223 38.332 38.487 0.112 0.000 0.992 299 N HN 0.444 nan 8.380 nan 0.000 0.429 300 S N 1.328 117.040 115.700 0.020 0.000 2.402 300 S HA -0.186 4.284 4.470 0.001 0.000 0.233 300 S C 1.826 176.431 174.600 0.009 0.000 1.030 300 S CA 1.436 59.649 58.200 0.021 0.000 1.003 300 S CB -0.009 63.203 63.200 0.021 0.000 0.813 300 S HN 0.334 nan 8.310 nan 0.000 0.477 301 Q N -0.292 119.500 119.800 -0.014 0.000 2.049 301 Q HA 0.006 4.346 4.340 0.001 0.000 0.198 301 Q C 2.322 178.304 176.000 -0.029 0.000 0.971 301 Q CA 1.537 57.326 55.803 -0.024 0.000 0.833 301 Q CB -0.203 28.504 28.738 -0.053 0.000 0.896 301 Q HN 0.454 nan 8.270 nan 0.000 0.434 302 V N 1.452 121.342 119.914 -0.040 0.000 2.407 302 V HA -0.271 3.850 4.120 0.001 0.000 0.248 302 V C 2.029 178.083 176.094 -0.066 0.000 1.055 302 V CA 1.724 63.998 62.300 -0.042 0.000 1.049 302 V CB -0.429 31.386 31.823 -0.013 0.000 0.662 302 V HN 0.284 nan 8.190 nan 0.000 0.455 303 K N -0.321 120.032 120.400 -0.078 0.000 2.002 303 K HA -0.209 4.112 4.320 0.001 0.000 0.209 303 K C 2.334 178.816 176.600 -0.198 0.000 1.048 303 K CA 1.697 57.871 56.287 -0.189 0.000 0.930 303 K CB -0.266 32.144 32.500 -0.150 0.000 0.714 303 K HN 0.507 nan 8.250 nan 0.000 0.438 304 Q N 0.210 120.001 119.800 -0.015 0.000 2.062 304 Q HA -0.214 4.126 4.340 0.001 0.000 0.209 304 Q C 2.178 178.226 176.000 0.080 0.000 0.996 304 Q CA 1.814 57.682 55.803 0.109 0.000 0.859 304 Q CB -0.342 28.452 28.738 0.093 0.000 0.920 304 Q HN 0.373 nan 8.270 nan 0.000 0.415 305 A N 0.787 123.624 122.820 0.028 0.000 2.032 305 A HA -0.285 4.035 4.320 0.001 0.000 0.221 305 A C 1.899 179.522 177.584 0.065 0.000 1.165 305 A CA 1.774 53.835 52.037 0.039 0.000 0.645 305 A CB -0.400 18.600 19.000 0.001 0.000 0.807 305 A HN 0.418 nan 8.150 nan 0.000 0.453 306 Q N -2.159 117.639 119.800 -0.003 0.000 2.123 306 Q HA -0.072 4.269 4.340 0.001 0.000 0.196 306 Q C 1.889 177.969 176.000 0.135 0.000 0.958 306 Q CA 1.167 56.981 55.803 0.018 0.000 0.841 306 Q CB -0.238 28.420 28.738 -0.133 0.000 0.915 306 Q HN 0.751 nan 8.270 nan 0.000 0.455 307 Y N 1.667 122.027 120.300 0.100 0.000 2.165 307 Y HA -0.241 4.309 4.550 0.001 0.000 0.286 307 Y C 2.224 178.170 175.900 0.076 0.000 1.155 307 Y CA 1.077 59.224 58.100 0.079 0.000 1.164 307 Y CB -0.617 37.873 38.460 0.048 0.000 0.978 307 Y HN 0.267 nan 8.280 nan 0.000 0.513 308 N N -0.126 118.725 118.700 0.251 0.000 2.289 308 N HA -0.224 4.516 4.740 0.001 0.000 0.184 308 N C 1.849 177.448 175.510 0.149 0.000 1.016 308 N CA 0.970 54.114 53.050 0.156 0.000 0.872 308 N CB -0.467 38.096 38.487 0.125 0.000 0.973 308 N HN 0.364 nan 8.380 nan 0.000 0.433 309 F N 1.259 121.243 119.950 0.056 0.000 2.259 309 F HA 0.005 4.532 4.527 0.001 0.000 0.298 309 F C 2.120 177.947 175.800 0.045 0.000 1.088 309 F CA 0.569 58.590 58.000 0.036 0.000 1.358 309 F CB -0.239 38.771 39.000 0.017 0.000 1.040 309 F HN -0.171 nan 8.300 nan 0.000 0.505 310 V N 0.364 120.318 119.914 0.065 0.000 2.307 310 V HA -0.203 3.918 4.120 0.001 0.000 0.245 310 V C 2.771 178.807 176.094 -0.097 0.000 1.045 310 V CA 1.944 64.234 62.300 -0.017 0.000 1.024 310 V CB -1.562 30.344 31.823 0.138 0.000 0.651 310 V HN 0.507 nan 8.190 nan 0.000 0.449 311 G N -0.178 108.605 108.800 -0.030 0.000 2.459 311 G HA2 -0.279 3.682 3.960 0.001 0.000 0.217 311 G HA3 -0.279 3.682 3.960 0.001 0.000 0.217 311 G C 1.796 176.637 174.900 -0.099 0.000 1.183 311 G CA 1.169 46.244 45.100 -0.041 0.000 0.776 311 G HN 0.617 nan 8.290 nan 0.000 0.552 312 A N 0.478 123.211 122.820 -0.144 0.000 1.948 312 A HA -0.043 4.277 4.320 0.001 0.000 0.220 312 A C 2.710 180.152 177.584 -0.237 0.000 1.177 312 A CA 2.432 54.365 52.037 -0.174 0.000 0.636 312 A CB -0.576 18.311 19.000 -0.188 0.000 0.815 312 A HN 0.345 nan 8.150 nan 0.000 0.449 313 S N -0.533 114.949 115.700 -0.365 0.000 2.345 313 S HA -0.107 4.363 4.470 0.001 0.000 0.220 313 S C 1.937 176.446 174.600 -0.152 0.000 1.031 313 S CA 1.154 59.168 58.200 -0.309 0.000 0.996 313 S CB -0.304 62.665 63.200 -0.385 0.000 0.882 313 S HN 0.589 nan 8.310 nan 0.000 0.445 314 E N 1.678 121.809 120.200 -0.115 0.000 2.097 314 E HA -0.188 4.162 4.350 0.001 0.000 0.196 314 E C 2.131 178.703 176.600 -0.046 0.000 1.000 314 E CA 1.157 57.520 56.400 -0.061 0.000 0.804 314 E CB -0.437 29.237 29.700 -0.043 0.000 0.740 314 E HN 0.625 nan 8.360 nan 0.000 0.454 315 Q N -0.116 119.652 119.800 -0.054 0.000 2.224 315 Q HA -0.118 4.223 4.340 0.001 0.000 0.203 315 Q C 2.222 178.209 176.000 -0.022 0.000 0.970 315 Q CA 0.629 56.413 55.803 -0.033 0.000 0.865 315 Q CB -0.132 28.585 28.738 -0.035 0.000 0.922 315 Q HN 0.132 nan 8.270 nan 0.000 0.445 316 L N 1.120 122.319 121.223 -0.040 0.000 2.093 316 L HA -0.153 4.188 4.340 0.001 0.000 0.208 316 L C 2.151 179.030 176.870 0.015 0.000 1.085 316 L CA 1.911 56.740 54.840 -0.018 0.000 0.755 316 L CB -0.410 41.621 42.059 -0.048 0.000 0.904 316 L HN 0.078 nan 8.230 nan 0.000 0.435 317 E N -0.528 119.668 120.200 -0.006 0.000 2.051 317 E HA -0.168 4.182 4.350 0.001 0.000 0.192 317 E C 2.126 178.759 176.600 0.056 0.000 0.991 317 E CA 1.809 58.218 56.400 0.016 0.000 0.799 317 E CB -0.324 29.369 29.700 -0.011 0.000 0.748 317 E HN 0.523 nan 8.360 nan 0.000 0.449 318 S N 0.442 116.159 115.700 0.028 0.000 2.359 318 S HA -0.205 4.265 4.470 0.001 0.000 0.224 318 S C 2.094 176.715 174.600 0.036 0.000 1.035 318 S CA 1.186 59.402 58.200 0.027 0.000 1.018 318 S CB -0.704 62.501 63.200 0.009 0.000 0.876 318 S HN 0.525 nan 8.310 nan 0.000 0.448 319 A N 1.765 124.608 122.820 0.037 0.000 1.908 319 A HA -0.239 4.082 4.320 0.001 0.000 0.218 319 A C 2.049 179.658 177.584 0.042 0.000 1.181 319 A CA 1.884 53.940 52.037 0.032 0.000 0.627 319 A CB -1.042 17.977 19.000 0.032 0.000 0.818 319 A HN 0.656 nan 8.150 nan 0.000 0.445 320 H N -0.237 118.827 119.070 -0.010 0.000 2.326 320 H HA -0.027 4.530 4.556 0.001 0.000 0.301 320 H C 2.306 177.630 175.328 -0.006 0.000 1.081 320 H CA 1.737 57.780 56.048 -0.008 0.000 1.334 320 H CB -0.126 29.631 29.762 -0.010 0.000 1.385 320 H HN 0.445 nan 8.280 nan 0.000 0.504 321 R N 0.006 120.574 120.500 0.113 0.000 2.117 321 R HA -0.129 4.211 4.340 0.001 0.000 0.243 321 R C 2.746 179.035 176.300 -0.019 0.000 1.143 321 R CA 1.433 57.565 56.100 0.054 0.000 0.968 321 R CB -0.264 30.071 30.300 0.058 0.000 0.863 321 R HN 0.214 nan 8.270 nan 0.000 0.444 322 S N 0.297 115.986 115.700 -0.019 0.000 2.355 322 S HA -0.096 4.375 4.470 0.001 0.000 0.222 322 S C 1.997 176.561 174.600 -0.061 0.000 1.031 322 S CA 1.234 59.417 58.200 -0.028 0.000 0.993 322 S CB -0.237 62.955 63.200 -0.014 0.000 0.859 322 S HN 0.228 nan 8.310 nan 0.000 0.453 323 V N 1.493 121.346 119.914 -0.101 0.000 2.469 323 V HA -0.092 4.029 4.120 0.001 0.000 0.251 323 V C 2.195 178.202 176.094 -0.146 0.000 1.064 323 V CA 2.025 64.251 62.300 -0.124 0.000 1.066 323 V CB -0.423 31.305 31.823 -0.159 0.000 0.667 323 V HN 0.457 nan 8.190 nan 0.000 0.461 324 V N 0.028 119.827 119.914 -0.192 0.000 2.221 324 V HA -0.237 3.883 4.120 0.001 0.000 0.242 324 V C 2.557 178.612 176.094 -0.064 0.000 1.041 324 V CA 2.396 64.608 62.300 -0.145 0.000 0.995 324 V CB -0.772 30.971 31.823 -0.132 0.000 0.635 324 V HN 0.623 nan 8.190 nan 0.000 0.448 325 Q N -0.019 119.756 119.800 -0.040 0.000 2.173 325 Q HA -0.259 4.082 4.340 0.001 0.000 0.208 325 Q C 2.139 178.138 176.000 -0.002 0.000 0.989 325 Q CA 2.809 58.606 55.803 -0.010 0.000 0.872 325 Q CB -0.721 28.015 28.738 -0.004 0.000 0.909 325 Q HN 0.668 nan 8.270 nan 0.000 0.420 326 T N 0.337 114.883 114.554 -0.014 0.000 2.821 326 T HA -0.056 4.294 4.350 0.001 0.000 0.267 326 T C 1.955 176.659 174.700 0.007 0.000 1.046 326 T CA 1.248 63.346 62.100 -0.004 0.000 1.139 326 T CB -0.120 68.739 68.868 -0.015 0.000 0.871 326 T HN 0.104 nan 8.240 nan 0.000 0.454 327 V N 1.664 121.572 119.914 -0.010 0.000 2.244 327 V HA -0.143 3.977 4.120 0.001 0.000 0.244 327 V C 2.593 178.717 176.094 0.050 0.000 1.042 327 V CA 1.569 63.870 62.300 0.001 0.000 1.006 327 V CB -0.511 31.286 31.823 -0.043 0.000 0.641 327 V HN 0.385 nan 8.190 nan 0.000 0.446 328 R N 0.105 120.628 120.500 0.039 0.000 2.091 328 R HA -0.148 4.192 4.340 0.001 0.000 0.238 328 R C 2.555 178.943 176.300 0.148 0.000 1.136 328 R CA 1.773 57.933 56.100 0.100 0.000 0.959 328 R CB -0.666 29.669 30.300 0.059 0.000 0.856 328 R HN 0.429 nan 8.270 nan 0.000 0.437 329 S N 0.646 116.397 115.700 0.086 0.000 2.348 329 S HA -0.119 4.352 4.470 0.001 0.000 0.221 329 S C 2.084 176.731 174.600 0.079 0.000 1.033 329 S CA 1.526 59.769 58.200 0.071 0.000 1.010 329 S CB -0.142 63.083 63.200 0.042 0.000 0.891 329 S HN 0.283 nan 8.310 nan 0.000 0.442 330 S N 0.991 116.739 115.700 0.080 0.000 2.383 330 S HA -0.104 4.367 4.470 0.001 0.000 0.229 330 S C 1.490 176.162 174.600 0.120 0.000 1.030 330 S CA 1.194 59.439 58.200 0.076 0.000 1.002 330 S CB -0.414 62.822 63.200 0.061 0.000 0.829 330 S HN 0.539 nan 8.310 nan 0.000 0.467 331 F N 2.809 122.758 119.950 -0.001 0.000 2.060 331 F HA -0.082 4.446 4.527 0.001 0.000 0.295 331 F C 1.843 177.654 175.800 0.017 0.000 1.120 331 F CA 1.411 59.414 58.000 0.005 0.000 1.205 331 F CB -1.046 37.955 39.000 0.002 0.000 0.986 331 F HN 0.193 nan 8.300 nan 0.000 0.470 332 N N 0.234 118.935 118.700 0.001 0.000 2.021 332 N HA -0.291 4.450 4.740 0.001 0.000 0.198 332 N C 1.510 176.954 175.510 -0.111 0.000 1.041 332 N CA 1.570 54.558 53.050 -0.104 0.000 0.862 332 N CB -0.408 38.091 38.487 0.020 0.000 1.048 332 N HN 0.326 nan 8.380 nan 0.000 0.427 333 N N 1.431 120.111 118.700 -0.034 0.000 2.069 333 N HA -0.137 4.603 4.740 0.001 0.000 0.191 333 N C 1.864 177.366 175.510 -0.013 0.000 1.031 333 N CA 0.689 53.731 53.050 -0.012 0.000 0.852 333 N CB -0.464 38.032 38.487 0.015 0.000 1.018 333 N HN 0.324 nan 8.380 nan 0.000 0.423 334 I N 1.214 121.766 120.570 -0.030 0.000 2.286 334 I HA -0.258 3.913 4.170 0.001 0.000 0.248 334 I C 1.608 177.735 176.117 0.016 0.000 1.115 334 I CA 1.113 62.417 61.300 0.007 0.000 1.392 334 I CB 0.008 37.996 38.000 -0.020 0.000 1.065 334 I HN 0.053 nan 8.210 nan 0.000 0.418 335 N N 1.400 120.014 118.700 -0.143 0.000 2.062 335 N HA -0.128 4.612 4.740 0.001 0.000 0.191 335 N C 1.882 177.349 175.510 -0.072 0.000 1.042 335 N CA 1.764 54.713 53.050 -0.169 0.000 0.845 335 N CB -0.576 37.697 38.487 -0.357 0.000 1.024 335 N HN 0.439 nan 8.380 nan 0.000 0.424 336 A N 0.077 122.856 122.820 -0.067 0.000 2.024 336 A HA -0.130 4.191 4.320 0.001 0.000 0.220 336 A C 2.464 180.064 177.584 0.026 0.000 1.164 336 A CA 1.865 53.889 52.037 -0.022 0.000 0.643 336 A CB -0.700 18.291 19.000 -0.014 0.000 0.806 336 A HN 0.316 nan 8.150 nan 0.000 0.451 337 S N -0.602 115.135 115.700 0.063 0.000 2.357 337 S HA -0.049 4.422 4.470 0.001 0.000 0.221 337 S C 1.848 176.513 174.600 0.108 0.000 1.031 337 S CA 1.210 59.487 58.200 0.129 0.000 0.982 337 S CB -0.407 62.925 63.200 0.220 0.000 0.853 337 S HN 0.534 nan 8.310 nan 0.000 0.458 338 I N 0.638 121.256 120.570 0.079 0.000 2.315 338 I HA -0.095 4.075 4.170 0.001 0.000 0.248 338 I C 2.644 178.737 176.117 -0.040 0.000 1.117 338 I CA 1.103 62.376 61.300 -0.045 0.000 1.404 338 I CB -0.437 37.526 38.000 -0.063 0.000 1.071 338 I HN 0.314 nan 8.210 nan 0.000 0.419 339 S N -0.260 115.425 115.700 -0.025 0.000 2.402 339 S HA -0.173 4.298 4.470 0.001 0.000 0.229 339 S C 2.220 176.800 174.600 -0.033 0.000 1.021 339 S CA 1.868 60.045 58.200 -0.037 0.000 0.974 339 S CB -0.139 63.035 63.200 -0.042 0.000 0.800 339 S HN 0.374 nan 8.310 nan 0.000 0.484 340 S N 0.505 116.210 115.700 0.008 0.000 2.377 340 S HA 0.169 4.639 4.470 0.001 0.000 0.223 340 S C 1.702 176.366 174.600 0.106 0.000 1.030 340 S CA 0.707 58.935 58.200 0.047 0.000 0.970 340 S CB -0.368 62.922 63.200 0.149 0.000 0.830 340 S HN 0.576 nan 8.310 nan 0.000 0.473 341 I N 1.984 122.602 120.570 0.080 0.000 2.315 341 I HA -0.257 3.914 4.170 0.001 0.000 0.251 341 I C 1.945 178.081 176.117 0.032 0.000 1.125 341 I CA 1.234 62.569 61.300 0.059 0.000 1.392 341 I CB -0.569 37.434 38.000 0.004 0.000 1.065 341 I HN 0.428 nan 8.210 nan 0.000 0.424 342 N N 0.658 119.352 118.700 -0.010 0.000 2.109 342 N HA -0.089 4.652 4.740 0.001 0.000 0.188 342 N C 2.092 177.566 175.510 -0.061 0.000 1.034 342 N CA 1.040 54.069 53.050 -0.034 0.000 0.846 342 N CB -0.184 38.273 38.487 -0.049 0.000 1.010 342 N HN 0.264 nan 8.380 nan 0.000 0.425 343 A N 0.894 123.641 122.820 -0.122 0.000 1.892 343 A HA -0.211 4.109 4.320 0.001 0.000 0.218 343 A C 1.739 179.166 177.584 -0.261 0.000 1.188 343 A CA 1.524 53.422 52.037 -0.232 0.000 0.631 343 A CB -1.038 17.742 19.000 -0.367 0.000 0.822 343 A HN 0.361 nan 8.150 nan 0.000 0.447 344 Y N -0.360 119.914 120.300 -0.043 0.000 2.263 344 Y HA -0.089 4.461 4.550 0.001 0.000 0.292 344 Y C 2.353 178.217 175.900 -0.060 0.000 1.130 344 Y CA 1.441 59.511 58.100 -0.050 0.000 1.179 344 Y CB -0.286 38.146 38.460 -0.047 0.000 0.998 344 Y HN 0.303 nan 8.280 nan 0.000 0.532 345 K N 0.222 120.667 120.400 0.074 0.000 2.103 345 K HA -0.312 4.008 4.320 0.001 0.000 0.207 345 K C 2.166 178.762 176.600 -0.007 0.000 1.048 345 K CA 1.825 58.123 56.287 0.018 0.000 0.930 345 K CB -0.013 32.486 32.500 -0.001 0.000 0.716 345 K HN 0.247 nan 8.250 nan 0.000 0.444 346 Q N 0.635 120.421 119.800 -0.024 0.000 1.965 346 Q HA -0.064 4.276 4.340 0.001 0.000 0.200 346 Q C 1.804 177.781 176.000 -0.038 0.000 0.981 346 Q CA 2.312 58.091 55.803 -0.041 0.000 0.834 346 Q CB -0.716 27.985 28.738 -0.062 0.000 0.900 346 Q HN 0.289 nan 8.270 nan 0.000 0.426 347 A N -0.037 122.757 122.820 -0.042 0.000 2.042 347 A HA -0.173 4.147 4.320 0.001 0.000 0.222 347 A C 2.255 179.828 177.584 -0.019 0.000 1.167 347 A CA 1.823 53.845 52.037 -0.026 0.000 0.649 347 A CB -0.939 18.059 19.000 -0.004 0.000 0.809 347 A HN 0.316 nan 8.150 nan 0.000 0.457 348 V N -0.852 119.053 119.914 -0.016 0.000 2.970 348 V HA -0.153 3.968 4.120 0.001 0.000 0.260 348 V C 2.341 178.386 176.094 -0.081 0.000 1.100 348 V CA 1.647 63.909 62.300 -0.065 0.000 1.122 348 V CB -0.177 31.602 31.823 -0.073 0.000 0.721 348 V HN 0.417 nan 8.190 nan 0.000 0.483 349 V N 0.282 120.162 119.914 -0.057 0.000 2.374 349 V HA -0.106 4.014 4.120 0.001 0.000 0.241 349 V C 2.599 178.661 176.094 -0.053 0.000 1.034 349 V CA 1.684 63.952 62.300 -0.054 0.000 1.037 349 V CB -0.275 31.524 31.823 -0.041 0.000 0.682 349 V HN 0.716 nan 8.190 nan 0.000 0.463 350 S N 1.531 117.203 115.700 -0.046 0.000 2.419 350 S HA -0.146 4.324 4.470 0.001 0.000 0.235 350 S C 1.917 176.489 174.600 -0.048 0.000 1.019 350 S CA 1.482 59.657 58.200 -0.042 0.000 0.982 350 S CB -0.444 62.733 63.200 -0.039 0.000 0.789 350 S HN 0.558 nan 8.310 nan 0.000 0.490 351 A N 0.686 123.469 122.820 -0.061 0.000 2.021 351 A HA 0.161 4.481 4.320 0.001 0.000 0.216 351 A C 2.210 179.734 177.584 -0.100 0.000 1.163 351 A CA 1.078 53.070 52.037 -0.076 0.000 0.676 351 A CB -0.580 18.368 19.000 -0.087 0.000 0.818 351 A HN 0.509 nan 8.150 nan 0.000 0.453 352 Q N 0.381 120.118 119.800 -0.106 0.000 2.083 352 Q HA -0.049 4.291 4.340 0.001 0.000 0.198 352 Q C 2.122 178.079 176.000 -0.071 0.000 0.969 352 Q CA 2.230 57.966 55.803 -0.113 0.000 0.838 352 Q CB -0.405 28.269 28.738 -0.106 0.000 0.900 352 Q HN 0.501 nan 8.270 nan 0.000 0.436 353 S N -0.426 115.242 115.700 -0.053 0.000 2.345 353 S HA -0.144 4.326 4.470 0.001 0.000 0.220 353 S C 1.968 176.550 174.600 -0.029 0.000 1.031 353 S CA 1.139 59.318 58.200 -0.035 0.000 0.996 353 S CB -0.725 62.458 63.200 -0.029 0.000 0.882 353 S HN 0.489 nan 8.310 nan 0.000 0.445 354 S N 1.151 116.832 115.700 -0.032 0.000 2.387 354 S HA -0.122 4.349 4.470 0.001 0.000 0.230 354 S C 1.845 176.432 174.600 -0.022 0.000 1.035 354 S CA 1.214 59.400 58.200 -0.024 0.000 1.014 354 S CB -0.451 62.733 63.200 -0.026 0.000 0.836 354 S HN 0.368 nan 8.310 nan 0.000 0.466 355 L N 1.744 122.944 121.223 -0.038 0.000 2.056 355 L HA -0.016 4.325 4.340 0.001 0.000 0.207 355 L C 1.707 178.569 176.870 -0.013 0.000 1.078 355 L CA 2.097 56.917 54.840 -0.032 0.000 0.749 355 L CB -0.879 41.144 42.059 -0.061 0.000 0.901 355 L HN 0.133 nan 8.230 nan 0.000 0.433 356 D N -0.018 120.372 120.400 -0.017 0.000 2.182 356 D HA -0.156 4.485 4.640 0.001 0.000 0.201 356 D C 2.120 178.426 176.300 0.010 0.000 0.986 356 D CA 1.392 55.391 54.000 -0.002 0.000 0.847 356 D CB -0.116 40.679 40.800 -0.008 0.000 0.942 356 D HN 0.537 nan 8.370 nan 0.000 0.467 357 A N 0.502 123.326 122.820 0.007 0.000 1.825 357 A HA -0.152 4.168 4.320 0.001 0.000 0.214 357 A C 2.078 179.681 177.584 0.031 0.000 1.206 357 A CA 1.404 53.450 52.037 0.015 0.000 0.609 357 A CB -0.595 18.410 19.000 0.008 0.000 0.851 357 A HN 0.029 nan 8.150 nan 0.000 0.445 358 M N 0.201 119.819 119.600 0.029 0.000 2.124 358 M HA -0.250 4.230 4.480 0.001 0.000 0.253 358 M C 1.847 178.196 176.300 0.081 0.000 1.077 358 M CA 1.992 57.321 55.300 0.048 0.000 1.085 358 M CB -1.205 31.409 32.600 0.024 0.000 1.320 358 M HN 0.588 nan 8.290 nan 0.000 0.404 359 E N -0.968 119.267 120.200 0.059 0.000 2.051 359 E HA -0.171 4.179 4.350 0.001 0.000 0.192 359 E C 2.041 178.706 176.600 0.108 0.000 0.991 359 E CA 1.313 57.763 56.400 0.083 0.000 0.799 359 E CB -0.282 29.449 29.700 0.052 0.000 0.748 359 E HN 0.574 nan 8.360 nan 0.000 0.449 360 A N 1.153 124.014 122.820 0.068 0.000 1.908 360 A HA -0.140 4.181 4.320 0.001 0.000 0.218 360 A C 2.423 180.040 177.584 0.055 0.000 1.181 360 A CA 1.895 53.963 52.037 0.052 0.000 0.627 360 A CB -1.202 17.817 19.000 0.032 0.000 0.818 360 A HN 0.377 nan 8.150 nan 0.000 0.445 361 G N -1.941 106.897 108.800 0.065 0.000 2.421 361 G HA2 -0.267 3.694 3.960 0.001 0.000 0.216 361 G HA3 -0.267 3.694 3.960 0.001 0.000 0.216 361 G C 1.542 176.483 174.900 0.069 0.000 1.171 361 G CA 1.197 46.331 45.100 0.056 0.000 0.775 361 G HN 0.536 nan 8.290 nan 0.000 0.543 362 Y N 2.687 122.989 120.300 0.004 0.000 2.193 362 Y HA -0.251 4.300 4.550 0.001 0.000 0.285 362 Y C 3.058 178.960 175.900 0.004 0.000 1.166 362 Y CA 1.772 59.876 58.100 0.005 0.000 1.181 362 Y CB -0.314 38.150 38.460 0.006 0.000 0.976 362 Y HN 0.319 nan 8.280 nan 0.000 0.520 363 S N -0.749 114.962 115.700 0.018 0.000 2.547 363 S HA -0.072 4.399 4.470 0.001 0.000 0.235 363 S C 1.071 175.614 174.600 -0.094 0.000 0.980 363 S CA 0.880 59.053 58.200 -0.045 0.000 0.941 363 S CB -0.865 62.352 63.200 0.027 0.000 0.763 363 S HN 0.455 nan 8.310 nan 0.000 0.532 364 V N -3.808 116.048 119.914 -0.097 0.000 3.017 364 V HA 0.757 4.878 4.120 0.001 0.000 0.354 364 V C 1.068 177.103 176.094 -0.099 0.000 1.389 364 V CA -0.201 62.049 62.300 -0.083 0.000 1.163 364 V CB -0.622 31.177 31.823 -0.041 0.000 1.178 364 V HN 0.593 nan 8.190 nan 0.000 0.547 365 G N 1.572 110.273 108.800 -0.166 0.000 2.175 365 G HA2 -0.388 3.573 3.960 0.001 0.000 0.265 365 G HA3 -0.388 3.573 3.960 0.001 0.000 0.265 365 G C 0.929 175.788 174.900 -0.067 0.000 0.979 365 G CA 1.710 46.724 45.100 -0.143 0.000 0.663 365 G HN 1.322 nan 8.290 nan 0.000 0.533 366 T N -3.532 111.000 114.554 -0.037 0.000 3.044 366 T HA 0.475 4.825 4.350 0.001 0.000 0.255 366 T C 1.102 175.819 174.700 0.028 0.000 1.073 366 T CA 1.255 63.353 62.100 -0.003 0.000 1.125 366 T CB 0.393 69.262 68.868 0.001 0.000 0.908 366 T HN 0.459 nan 8.240 nan 0.000 0.480 367 S N 1.779 117.516 115.700 0.062 0.000 2.454 367 S HA 0.563 5.034 4.470 0.001 0.000 0.306 367 S C -0.144 174.591 174.600 0.225 0.000 1.100 367 S CA -0.724 57.547 58.200 0.118 0.000 1.087 367 S CB 1.673 64.947 63.200 0.124 0.000 1.019 367 S HN 0.582 nan 8.310 nan 0.000 0.480 368 T N 1.579 116.237 114.554 0.173 0.000 2.918 368 T HA 0.170 4.521 4.350 0.001 0.000 0.302 368 T C 1.429 176.231 174.700 0.170 0.000 1.045 368 T CA -0.496 61.727 62.100 0.204 0.000 1.114 368 T CB 0.081 69.012 68.868 0.105 0.000 0.965 368 T HN 0.439 nan 8.240 nan 0.000 0.540 369 I N 4.799 125.442 120.570 0.122 0.000 2.264 369 I HA -0.104 4.067 4.170 0.001 0.000 0.248 369 I C 2.181 178.215 176.117 -0.139 0.000 1.111 369 I CA 1.511 62.643 61.300 -0.280 0.000 1.382 369 I CB -0.411 37.423 38.000 -0.277 0.000 1.060 369 I HN 0.672 nan 8.210 nan 0.000 0.418 370 V N 0.507 120.399 119.914 -0.037 0.000 2.332 370 V HA -0.311 3.810 4.120 0.001 0.000 0.248 370 V C 2.179 178.262 176.094 -0.019 0.000 1.055 370 V CA 2.229 64.516 62.300 -0.022 0.000 1.038 370 V CB -1.103 30.723 31.823 0.004 0.000 0.651 370 V HN 0.373 nan 8.190 nan 0.000 0.450 371 D N 0.002 120.400 120.400 -0.003 0.000 2.144 371 D HA -0.121 4.520 4.640 0.001 0.000 0.199 371 D C 2.097 178.388 176.300 -0.014 0.000 0.984 371 D CA 1.189 55.192 54.000 0.004 0.000 0.834 371 D CB -0.251 40.567 40.800 0.029 0.000 0.955 371 D HN 0.301 nan 8.370 nan 0.000 0.465 372 V N 0.568 120.453 119.914 -0.048 0.000 2.244 372 V HA -0.190 3.930 4.120 0.001 0.000 0.244 372 V C 2.498 178.558 176.094 -0.056 0.000 1.042 372 V CA 1.164 63.422 62.300 -0.070 0.000 1.006 372 V CB -0.580 31.134 31.823 -0.180 0.000 0.641 372 V HN 0.235 nan 8.190 nan 0.000 0.446 373 L N 0.053 121.231 121.223 -0.074 0.000 2.261 373 L HA -0.202 4.139 4.340 0.001 0.000 0.216 373 L C 2.040 178.909 176.870 -0.003 0.000 1.114 373 L CA 1.403 56.223 54.840 -0.033 0.000 0.777 373 L CB -0.680 41.355 42.059 -0.040 0.000 0.910 373 L HN 0.386 nan 8.230 nan 0.000 0.440 374 D N -0.189 120.206 120.400 -0.008 0.000 2.240 374 D HA -0.004 4.636 4.640 0.001 0.000 0.206 374 D C 2.231 178.532 176.300 0.002 0.000 0.963 374 D CA 1.037 55.038 54.000 0.002 0.000 0.863 374 D CB 0.117 40.917 40.800 0.000 0.000 0.973 374 D HN 0.212 nan 8.370 nan 0.000 0.501 375 A N -0.065 122.752 122.820 -0.006 0.000 1.968 375 A HA -0.102 4.219 4.320 0.001 0.000 0.217 375 A C 2.237 179.810 177.584 -0.019 0.000 1.169 375 A CA 1.519 53.547 52.037 -0.015 0.000 0.638 375 A CB -0.729 18.261 19.000 -0.017 0.000 0.812 375 A HN 0.148 nan 8.150 nan 0.000 0.446 376 T N -0.478 114.082 114.554 0.009 0.000 2.777 376 T HA -0.099 4.251 4.350 0.001 0.000 0.266 376 T C 2.020 176.784 174.700 0.106 0.000 1.040 376 T CA 1.978 64.115 62.100 0.061 0.000 1.141 376 T CB -0.376 68.553 68.868 0.102 0.000 0.868 376 T HN 0.511 nan 8.240 nan 0.000 0.444 377 T N 1.417 116.018 114.554 0.078 0.000 2.821 377 T HA -0.073 4.277 4.350 0.001 0.000 0.267 377 T C 2.226 176.956 174.700 0.049 0.000 1.046 377 T CA 1.353 63.503 62.100 0.083 0.000 1.139 377 T CB -0.462 68.436 68.868 0.051 0.000 0.871 377 T HN 0.372 nan 8.240 nan 0.000 0.454 378 T N 2.189 116.750 114.554 0.011 0.000 2.777 378 T HA -0.001 4.350 4.350 0.001 0.000 0.266 378 T C 1.873 176.541 174.700 -0.053 0.000 1.040 378 T CA 0.775 62.870 62.100 -0.010 0.000 1.141 378 T CB -0.356 68.502 68.868 -0.016 0.000 0.868 378 T HN 0.155 nan 8.240 nan 0.000 0.444 379 L N 0.134 121.281 121.223 -0.126 0.000 2.005 379 L HA -0.024 4.316 4.340 0.001 0.000 0.207 379 L C 1.629 178.292 176.870 -0.345 0.000 1.072 379 L CA 1.716 56.391 54.840 -0.276 0.000 0.744 379 L CB -0.630 41.161 42.059 -0.447 0.000 0.895 379 L HN 0.226 nan 8.230 nan 0.000 0.433 380 Y N 0.103 120.349 120.300 -0.090 0.000 2.584 380 Y HA -0.024 4.526 4.550 0.001 0.000 0.317 380 Y C 1.953 177.799 175.900 -0.091 0.000 1.208 380 Y CA 0.664 58.690 58.100 -0.122 0.000 1.299 380 Y CB -0.865 37.554 38.460 -0.067 0.000 1.047 380 Y HN 0.445 nan 8.280 nan 0.000 0.506 381 N N -1.191 117.517 118.700 0.012 0.000 2.684 381 N HA 0.042 4.782 4.740 0.001 0.000 0.220 381 N C 2.035 177.514 175.510 -0.051 0.000 1.037 381 N CA 0.621 53.675 53.050 0.006 0.000 0.975 381 N CB -0.052 38.447 38.487 0.020 0.000 1.426 381 N HN 0.198 nan 8.380 nan 0.000 0.450 382 A N 2.111 124.912 122.820 -0.032 0.000 1.958 382 A HA -0.223 4.097 4.320 0.001 0.000 0.221 382 A C 1.994 179.526 177.584 -0.087 0.000 1.178 382 A CA 1.577 53.623 52.037 0.015 0.000 0.642 382 A CB -0.447 18.580 19.000 0.045 0.000 0.816 382 A HN 0.206 nan 8.150 nan 0.000 0.453 383 K N -0.945 119.347 120.400 -0.180 0.000 2.057 383 K HA -0.178 4.142 4.320 0.001 0.000 0.207 383 K C 2.402 178.918 176.600 -0.140 0.000 1.049 383 K CA 1.786 57.881 56.287 -0.321 0.000 0.931 383 K CB -0.177 31.915 32.500 -0.680 0.000 0.714 383 K HN 0.663 nan 8.250 nan 0.000 0.440 384 Q N 0.061 119.861 119.800 -0.000 0.000 2.083 384 Q HA -0.114 4.227 4.340 0.001 0.000 0.198 384 Q C 1.943 177.930 176.000 -0.021 0.000 0.969 384 Q CA 0.787 56.710 55.803 0.201 0.000 0.838 384 Q CB 0.141 28.992 28.738 0.189 0.000 0.900 384 Q HN 0.215 nan 8.270 nan 0.000 0.436 385 E N 0.935 120.998 120.200 -0.228 0.000 2.085 385 E HA -0.202 4.149 4.350 0.001 0.000 0.194 385 E C 2.052 178.342 176.600 -0.516 0.000 0.994 385 E CA 0.846 56.904 56.400 -0.570 0.000 0.801 385 E CB -0.230 28.719 29.700 -1.251 0.000 0.743 385 E HN 0.212 nan 8.360 nan 0.000 0.453 386 L N 0.834 121.871 121.223 -0.310 0.000 2.017 386 L HA -0.093 4.247 4.340 0.001 0.000 0.208 386 L C 2.235 179.025 176.870 -0.133 0.000 1.073 386 L CA 2.241 57.016 54.840 -0.110 0.000 0.745 386 L CB -0.793 41.256 42.059 -0.018 0.000 0.894 386 L HN 0.039 nan 8.230 nan 0.000 0.432 387 A N -0.261 122.526 122.820 -0.055 0.000 1.892 387 A HA -0.295 4.026 4.320 0.001 0.000 0.218 387 A C 2.318 179.823 177.584 -0.131 0.000 1.188 387 A CA 2.099 54.090 52.037 -0.077 0.000 0.631 387 A CB -1.087 17.996 19.000 0.139 0.000 0.822 387 A HN 0.674 nan 8.150 nan 0.000 0.447 388 N N 0.180 118.870 118.700 -0.016 0.000 2.120 388 N HA -0.137 4.603 4.740 0.001 0.000 0.188 388 N C 1.970 177.477 175.510 -0.006 0.000 1.024 388 N CA 1.559 54.640 53.050 0.052 0.000 0.852 388 N CB -0.322 38.164 38.487 -0.002 0.000 1.003 388 N HN 0.393 nan 8.380 nan 0.000 0.424 389 A N 1.709 124.485 122.820 -0.075 0.000 1.892 389 A HA -0.160 4.161 4.320 0.001 0.000 0.218 389 A C 2.317 179.876 177.584 -0.043 0.000 1.188 389 A CA 1.216 53.243 52.037 -0.018 0.000 0.631 389 A CB -0.582 18.437 19.000 0.032 0.000 0.822 389 A HN 0.333 nan 8.150 nan 0.000 0.447 390 R N -1.885 118.471 120.500 -0.241 0.000 2.083 390 R HA -0.192 4.149 4.340 0.001 0.000 0.237 390 R C 2.078 178.213 176.300 -0.274 0.000 1.137 390 R CA 1.993 57.840 56.100 -0.423 0.000 0.951 390 R CB -0.568 29.126 30.300 -1.009 0.000 0.851 390 R HN 0.668 nan 8.270 nan 0.000 0.434 391 Y N 0.763 120.970 120.300 -0.154 0.000 2.128 391 Y HA -0.189 4.361 4.550 0.000 0.000 0.284 391 Y C 1.974 177.834 175.900 -0.066 0.000 1.154 391 Y CA 1.358 59.344 58.100 -0.189 0.000 1.149 391 Y CB -0.749 37.632 38.460 -0.133 0.000 0.976 391 Y HN 0.207 nan 8.280 nan 0.000 0.505 392 N N -1.289 117.497 118.700 0.142 0.000 2.205 392 N HA -0.266 4.475 4.740 0.001 0.000 0.186 392 N C 1.685 177.263 175.510 0.113 0.000 1.015 392 N CA 1.130 54.250 53.050 0.116 0.000 0.862 392 N CB -0.447 38.100 38.487 0.101 0.000 0.986 392 N HN 0.353 nan 8.380 nan 0.000 0.429 393 Y N 2.178 122.501 120.300 0.038 0.000 2.114 393 Y HA -0.145 4.406 4.550 0.000 0.000 0.284 393 Y C 2.042 177.977 175.900 0.058 0.000 1.143 393 Y CA 1.293 59.430 58.100 0.060 0.000 1.135 393 Y CB -0.525 38.011 38.460 0.127 0.000 0.980 393 Y HN -0.038 nan 8.280 nan 0.000 0.499 394 L N -0.268 120.933 121.223 -0.038 0.000 2.013 394 L HA -0.294 4.047 4.340 0.001 0.000 0.212 394 L C 2.394 179.218 176.870 -0.077 0.000 1.073 394 L CA 1.269 56.033 54.840 -0.128 0.000 0.753 394 L CB -0.738 41.239 42.059 -0.137 0.000 0.890 394 L HN 0.321 nan 8.230 nan 0.000 0.432 395 I N -0.183 120.396 120.570 0.016 0.000 2.202 395 I HA -0.249 3.922 4.170 0.001 0.000 0.242 395 I C 2.261 178.368 176.117 -0.017 0.000 1.091 395 I CA 1.364 62.699 61.300 0.058 0.000 1.368 395 I CB -1.472 36.589 38.000 0.102 0.000 1.058 395 I HN 0.360 nan 8.210 nan 0.000 0.410 396 N N 0.992 119.662 118.700 -0.050 0.000 2.258 396 N HA -0.212 4.528 4.740 0.001 0.000 0.187 396 N C 1.809 177.254 175.510 -0.108 0.000 1.012 396 N CA 1.098 54.111 53.050 -0.063 0.000 0.870 396 N CB -0.120 38.337 38.487 -0.050 0.000 0.977 396 N HN 0.566 nan 8.380 nan 0.000 0.434 397 Q N 0.067 119.745 119.800 -0.204 0.000 2.016 397 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 397 Q C 1.956 177.901 176.000 -0.091 0.000 0.978 397 Q CA 0.784 56.474 55.803 -0.190 0.000 0.833 397 Q CB -0.151 28.422 28.738 -0.276 0.000 0.895 397 Q HN 0.181 nan 8.270 nan 0.000 0.427 398 L N 1.723 122.906 121.223 -0.066 0.000 2.081 398 L HA -0.229 4.112 4.340 0.001 0.000 0.212 398 L C 1.903 178.757 176.870 -0.028 0.000 1.080 398 L CA 1.539 56.357 54.840 -0.037 0.000 0.754 398 L CB -0.937 41.117 42.059 -0.009 0.000 0.893 398 L HN 0.234 nan 8.230 nan 0.000 0.433 399 N N -0.350 118.337 118.700 -0.021 0.000 2.084 399 N HA -0.136 4.604 4.740 0.001 0.000 0.190 399 N C 1.992 177.496 175.510 -0.009 0.000 1.030 399 N CA 1.460 54.504 53.050 -0.010 0.000 0.849 399 N CB -0.245 38.242 38.487 -0.000 0.000 1.012 399 N HN 0.333 nan 8.380 nan 0.000 0.423 400 I N 1.208 121.773 120.570 -0.008 0.000 2.163 400 I HA -0.240 3.930 4.170 0.001 0.000 0.243 400 I C 2.295 178.407 176.117 -0.009 0.000 1.085 400 I CA 1.027 62.330 61.300 0.005 0.000 1.347 400 I CB -0.179 37.835 38.000 0.024 0.000 1.044 400 I HN 0.030 nan 8.210 nan 0.000 0.408 401 K N 0.473 120.860 120.400 -0.021 0.000 2.020 401 K HA -0.207 4.113 4.320 0.001 0.000 0.212 401 K C 2.362 178.946 176.600 -0.026 0.000 1.050 401 K CA 1.813 58.084 56.287 -0.027 0.000 0.929 401 K CB -0.634 31.843 32.500 -0.038 0.000 0.714 401 K HN 0.211 nan 8.250 nan 0.000 0.443 402 S N 0.406 116.091 115.700 -0.025 0.000 2.368 402 S HA -0.133 4.338 4.470 0.001 0.000 0.225 402 S C 1.987 176.576 174.600 -0.019 0.000 1.030 402 S CA 1.419 59.605 58.200 -0.024 0.000 0.999 402 S CB -0.157 63.030 63.200 -0.021 0.000 0.844 402 S HN 0.370 nan 8.310 nan 0.000 0.459 403 A N 1.075 123.885 122.820 -0.016 0.000 2.019 403 A HA 0.086 4.406 4.320 0.001 0.000 0.219 403 A C 2.097 179.667 177.584 -0.023 0.000 1.164 403 A CA 1.185 53.211 52.037 -0.018 0.000 0.644 403 A CB -0.585 18.408 19.000 -0.012 0.000 0.805 403 A HN 0.599 nan 8.150 nan 0.000 0.449 404 L N -1.545 119.666 121.223 -0.021 0.000 2.313 404 L HA 0.122 4.463 4.340 0.001 0.000 0.214 404 L C 1.663 178.522 176.870 -0.019 0.000 1.119 404 L CA 0.621 55.448 54.840 -0.022 0.000 0.809 404 L CB -0.463 41.584 42.059 -0.020 0.000 0.933 404 L HN 0.589 nan 8.230 nan 0.000 0.449 405 G N 0.864 109.653 108.800 -0.019 0.000 2.182 405 G HA2 -0.277 3.684 3.960 0.001 0.000 0.248 405 G HA3 -0.277 3.684 3.960 0.001 0.000 0.248 405 G C 0.572 175.462 174.900 -0.017 0.000 1.042 405 G CA 0.507 45.598 45.100 -0.016 0.000 0.775 405 G HN 0.403 nan 8.290 nan 0.000 0.501 406 T N -2.993 111.548 114.554 -0.022 0.000 3.275 406 T HA 0.506 4.857 4.350 0.001 0.000 0.298 406 T C 0.608 175.289 174.700 -0.033 0.000 0.988 406 T CA 0.253 62.340 62.100 -0.023 0.000 0.936 406 T CB 0.432 69.289 68.868 -0.019 0.000 1.159 406 T HN 1.118 nan 8.240 nan 0.000 0.519 407 L N 4.175 125.375 121.223 -0.039 0.000 2.477 407 L HA 0.529 4.869 4.340 0.001 0.000 0.272 407 L C -0.189 176.641 176.870 -0.067 0.000 1.157 407 L CA 0.241 55.048 54.840 -0.055 0.000 0.889 407 L CB -0.378 41.648 42.059 -0.055 0.000 1.158 407 L HN 0.693 nan 8.230 nan 0.000 0.473 408 N N 0.686 119.335 118.700 -0.085 0.000 3.157 408 N HA 0.242 4.983 4.740 0.001 0.000 0.291 408 N C 0.173 175.590 175.510 -0.156 0.000 1.515 408 N CA -0.482 52.511 53.050 -0.094 0.000 0.807 408 N CB 0.372 38.825 38.487 -0.056 0.000 1.672 408 N HN 0.493 nan 8.380 nan 0.000 0.592 409 E N -1.161 118.951 120.200 -0.148 0.000 2.331 409 E HA -0.243 4.107 4.350 0.001 0.000 0.199 409 E C 0.906 177.415 176.600 -0.152 0.000 1.008 409 E CA 1.378 57.656 56.400 -0.203 0.000 0.843 409 E CB 0.088 29.761 29.700 -0.045 0.000 0.761 409 E HN 0.450 nan 8.360 nan 0.000 0.507 410 Q N 0.575 120.316 119.800 -0.099 0.000 2.033 410 Q HA -0.118 4.223 4.340 0.001 0.000 0.196 410 Q C 1.711 177.662 176.000 -0.082 0.000 0.970 410 Q CA 1.141 56.901 55.803 -0.071 0.000 0.828 410 Q CB -0.248 28.463 28.738 -0.046 0.000 0.895 410 Q HN 0.412 nan 8.270 nan 0.000 0.440 411 D N 0.506 120.852 120.400 -0.090 0.000 2.271 411 D HA -0.157 4.484 4.640 0.001 0.000 0.207 411 D C 1.644 177.884 176.300 -0.099 0.000 0.983 411 D CA 0.648 54.599 54.000 -0.082 0.000 0.878 411 D CB 0.134 40.885 40.800 -0.083 0.000 0.920 411 D HN 0.090 nan 8.370 nan 0.000 0.479 412 L N 0.261 121.388 121.223 -0.160 0.000 2.558 412 L HA 0.027 4.368 4.340 0.001 0.000 0.225 412 L C 1.685 178.470 176.870 -0.142 0.000 1.128 412 L CA 0.524 55.242 54.840 -0.203 0.000 0.868 412 L CB 0.129 41.953 42.059 -0.392 0.000 1.006 412 L HN -0.062 nan 8.230 nan 0.000 0.454 413 L N -1.352 119.813 121.223 -0.096 0.000 2.316 413 L HA 0.316 4.656 4.340 0.001 0.000 0.207 413 L C 2.389 179.243 176.870 -0.027 0.000 1.070 413 L CA 1.446 56.252 54.840 -0.055 0.000 0.820 413 L CB -0.586 41.448 42.059 -0.042 0.000 0.992 413 L HN 0.112 nan 8.230 nan 0.000 0.466 414 A N -0.279 122.525 122.820 -0.027 0.000 1.978 414 A HA -0.154 4.167 4.320 0.001 0.000 0.220 414 A C 2.139 179.732 177.584 0.015 0.000 1.170 414 A CA 2.051 54.083 52.037 -0.009 0.000 0.636 414 A CB -0.721 18.269 19.000 -0.017 0.000 0.810 414 A HN 0.478 nan 8.150 nan 0.000 0.448 415 L N -1.232 120.007 121.223 0.026 0.000 2.249 415 L HA -0.030 4.310 4.340 0.001 0.000 0.207 415 L C 2.176 179.109 176.870 0.106 0.000 1.090 415 L CA 1.032 55.930 54.840 0.097 0.000 0.802 415 L CB -0.522 41.633 42.059 0.160 0.000 0.947 415 L HN 0.426 nan 8.230 nan 0.000 0.453 416 N N 0.803 119.519 118.700 0.027 0.000 2.588 416 N HA -0.179 4.561 4.740 0.001 0.000 0.190 416 N C 1.259 176.801 175.510 0.055 0.000 1.094 416 N CA 1.079 54.135 53.050 0.011 0.000 0.921 416 N CB -0.093 38.372 38.487 -0.036 0.000 0.959 416 N HN 0.411 nan 8.380 nan 0.000 0.448 417 N N -0.643 118.094 118.700 0.061 0.000 2.278 417 N HA 0.025 4.765 4.740 0.001 0.000 0.181 417 N C 1.354 176.919 175.510 0.092 0.000 1.023 417 N CA 0.732 53.819 53.050 0.062 0.000 0.862 417 N CB -0.138 38.372 38.487 0.039 0.000 1.003 417 N HN 0.197 nan 8.380 nan 0.000 0.431 418 A N 1.272 124.163 122.820 0.118 0.000 2.259 418 A HA 0.035 4.356 4.320 0.001 0.000 0.212 418 A C 0.849 178.550 177.584 0.195 0.000 1.178 418 A CA 0.594 52.726 52.037 0.159 0.000 0.734 418 A CB -0.553 18.570 19.000 0.204 0.000 0.774 418 A HN 0.160 nan 8.150 nan 0.000 0.481 419 L N -2.012 119.325 121.223 0.190 0.000 2.400 419 L HA 0.594 4.934 4.340 0.001 0.000 0.264 419 L C 1.159 178.119 176.870 0.150 0.000 1.061 419 L CA 0.102 55.071 54.840 0.215 0.000 0.799 419 L CB 1.553 43.757 42.059 0.241 0.000 1.240 419 L HN 0.322 nan 8.230 nan 0.000 0.461 420 S N -0.619 115.167 115.700 0.143 0.000 6.884 420 S HA 0.034 4.505 4.470 0.001 0.000 0.076 420 S C -0.717 173.940 174.600 0.095 0.000 1.403 420 S CA -0.455 57.809 58.200 0.105 0.000 1.134 420 S CB -0.189 63.066 63.200 0.091 0.000 1.550 420 S HN 0.523 nan 8.310 nan 0.000 0.558 421 K N 3.219 123.671 120.400 0.087 0.000 2.366 421 K HA 0.137 4.457 4.320 0.001 0.000 0.272 421 K C -2.735 173.909 176.600 0.073 0.000 1.151 421 K CA -0.367 55.963 56.287 0.072 0.000 1.173 421 K CB 0.126 32.664 32.500 0.064 0.000 0.853 421 K HN 0.243 nan 8.250 nan 0.000 0.473 422 P HA -0.038 nan 4.420 nan 0.000 0.269 422 P C -0.657 176.670 177.300 0.045 0.000 1.252 422 P CA -0.292 62.845 63.100 0.062 0.000 0.780 422 P CB 0.663 32.399 31.700 0.060 0.000 0.829 423 V N 1.253 121.188 119.914 0.035 0.000 2.732 423 V HA 0.638 4.759 4.120 0.001 0.000 0.310 423 V C 0.240 176.338 176.094 0.006 0.000 1.053 423 V CA -0.865 61.444 62.300 0.016 0.000 0.957 423 V CB 1.915 33.740 31.823 0.004 0.000 1.018 423 V HN 0.389 nan 8.190 nan 0.000 0.452 424 S N 1.674 117.375 115.700 0.002 0.000 2.592 424 S HA 0.340 4.810 4.470 0.001 0.000 0.271 424 S C 1.175 175.767 174.600 -0.013 0.000 1.326 424 S CA 0.258 58.459 58.200 0.002 0.000 1.024 424 S CB 1.120 64.320 63.200 0.000 0.000 0.921 424 S HN 1.459 nan 8.310 nan 0.000 0.527 425 T N 0.795 115.347 114.554 -0.003 0.000 3.069 425 T HA 0.209 4.559 4.350 0.001 0.000 0.252 425 T C 0.289 174.982 174.700 -0.011 0.000 1.053 425 T CA -0.274 61.818 62.100 -0.013 0.000 0.964 425 T CB -0.454 68.422 68.868 0.013 0.000 1.005 425 T HN 0.502 nan 8.240 nan 0.000 0.532 426 N N 3.410 122.104 118.700 -0.010 0.000 2.422 426 N HA 0.333 5.073 4.740 0.001 0.000 0.266 426 N C -2.754 172.741 175.510 -0.024 0.000 1.007 426 N CA -2.256 50.783 53.050 -0.017 0.000 0.941 426 N CB 1.512 39.989 38.487 -0.017 0.000 1.115 426 N HN 0.020 nan 8.380 nan 0.000 0.492 427 P HA 0.139 nan 4.420 nan 0.000 0.231 427 P C -0.930 176.351 177.300 -0.032 0.000 1.811 427 P CA -0.189 62.890 63.100 -0.034 0.000 1.051 427 P CB -0.152 31.525 31.700 -0.038 0.000 1.951 428 E N 0.000 120.184 120.200 -0.027 0.000 2.725 428 E HA 0.000 4.351 4.350 0.001 0.000 0.291 428 E CA 0.000 56.385 56.400 -0.025 0.000 0.976 428 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440