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 2jcz_1_B DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV DSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LEVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 11 G C 0.000 174.857 174.900 -0.071 0.000 0.946 11 G CA 0.000 45.071 45.100 -0.048 0.000 0.502 12 R N -0.390 120.080 120.500 -0.050 0.000 2.297 12 R HA 0.622 4.962 4.340 -0.001 0.000 0.308 12 R C -0.239 176.057 176.300 -0.007 0.000 1.029 12 R CA -0.435 55.634 56.100 -0.053 0.000 0.929 12 R CB 0.709 30.996 30.300 -0.021 0.000 1.046 12 R HN 0.374 nan 8.270 nan 0.000 0.461 13 L N 4.826 126.060 121.223 0.018 0.000 2.276 13 L HA 0.440 4.779 4.340 -0.001 0.000 0.286 13 L C 0.219 177.180 176.870 0.152 0.000 1.061 13 L CA -0.511 54.397 54.840 0.114 0.000 0.807 13 L CB 1.359 43.544 42.059 0.211 0.000 1.177 13 L HN 0.481 nan 8.230 nan 0.000 0.429 14 R N 2.632 123.194 120.500 0.103 0.000 2.267 14 R HA 0.433 4.773 4.340 -0.001 0.000 0.319 14 R C -0.960 175.391 176.300 0.085 0.000 1.067 14 R CA -0.400 55.752 56.100 0.087 0.000 0.936 14 R CB 1.048 31.381 30.300 0.056 0.000 1.006 14 R HN 0.323 nan 8.270 nan 0.000 0.452 15 V N 4.191 124.152 119.914 0.078 0.000 2.448 15 V HA 0.270 4.389 4.120 -0.001 0.000 0.295 15 V C -0.067 176.037 176.094 0.016 0.000 1.025 15 V CA -0.933 61.392 62.300 0.042 0.000 0.859 15 V CB 1.981 33.812 31.823 0.014 0.000 0.988 15 V HN 0.438 nan 8.190 nan 0.000 0.431 16 V N 5.537 125.452 119.914 0.000 0.000 2.383 16 V HA 0.324 4.443 4.120 -0.001 0.000 0.275 16 V C -0.001 176.079 176.094 -0.024 0.000 1.036 16 V CA -0.416 61.877 62.300 -0.012 0.000 0.889 16 V CB 1.749 33.558 31.823 -0.023 0.000 0.985 16 V HN 0.646 nan 8.190 nan 0.000 0.459 17 V N 7.306 127.208 119.914 -0.021 0.000 2.318 17 V HA 0.380 4.500 4.120 -0.001 0.000 0.271 17 V C -0.018 176.062 176.094 -0.023 0.000 1.030 17 V CA -0.376 61.907 62.300 -0.029 0.000 0.844 17 V CB 0.984 32.790 31.823 -0.028 0.000 1.015 17 V HN 0.605 nan 8.190 nan 0.000 0.460 18 L N 4.392 125.597 121.223 -0.029 0.000 2.275 18 L HA 0.715 5.055 4.340 -0.001 0.000 0.288 18 L C 1.043 177.900 176.870 -0.022 0.000 1.046 18 L CA -0.255 54.570 54.840 -0.025 0.000 0.805 18 L CB 1.188 43.227 42.059 -0.033 0.000 1.193 18 L HN 0.875 nan 8.230 nan 0.000 0.426 19 G N 1.720 110.514 108.800 -0.011 0.000 2.370 19 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.268 19 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.268 19 G C 0.706 175.598 174.900 -0.013 0.000 1.122 19 G CA 0.280 45.375 45.100 -0.009 0.000 0.963 19 G HN 0.808 nan 8.290 nan 0.000 0.500 20 S N -1.253 114.447 115.700 -0.001 0.000 2.481 20 S HA -0.007 4.463 4.470 -0.001 0.000 0.231 20 S C 2.088 176.685 174.600 -0.006 0.000 0.996 20 S CA 1.837 60.035 58.200 -0.004 0.000 0.942 20 S CB -0.114 63.091 63.200 0.009 0.000 0.768 20 S HN 1.538 nan 8.310 nan 0.000 0.520 21 T N -1.921 112.633 114.554 0.000 0.000 3.069 21 T HA 0.472 4.822 4.350 -0.001 0.000 0.252 21 T C 0.892 175.537 174.700 -0.091 0.000 1.053 21 T CA 0.055 62.145 62.100 -0.016 0.000 0.964 21 T CB 0.109 69.007 68.868 0.050 0.000 1.005 21 T HN 0.402 nan 8.240 nan 0.000 0.532 22 G N 0.463 109.216 108.800 -0.077 0.000 2.537 22 G HA2 0.420 4.379 3.960 -0.001 0.000 0.297 22 G HA3 0.420 4.379 3.960 -0.001 0.000 0.297 22 G C 0.915 175.729 174.900 -0.143 0.000 1.310 22 G CA -0.030 44.996 45.100 -0.124 0.000 1.027 22 G HN 0.125 nan 8.290 nan 0.000 0.505 23 S N -1.175 114.420 115.700 -0.176 0.000 2.353 23 S HA -0.149 4.321 4.470 -0.001 0.000 0.222 23 S C 2.366 176.907 174.600 -0.099 0.000 1.035 23 S CA 1.246 59.347 58.200 -0.166 0.000 1.025 23 S CB -0.388 62.701 63.200 -0.185 0.000 0.902 23 S HN 0.386 nan 8.310 nan 0.000 0.440 24 I N 1.491 122.010 120.570 -0.085 0.000 2.179 24 I HA -0.089 4.081 4.170 -0.001 0.000 0.242 24 I C 2.796 178.877 176.117 -0.061 0.000 1.088 24 I CA 1.554 62.815 61.300 -0.066 0.000 1.357 24 I CB -2.069 35.895 38.000 -0.060 0.000 1.051 24 I HN 0.469 nan 8.210 nan 0.000 0.409 25 G N 1.278 110.043 108.800 -0.058 0.000 2.446 25 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.217 25 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.217 25 G C 1.733 176.609 174.900 -0.041 0.000 1.168 25 G CA 1.912 46.983 45.100 -0.048 0.000 0.771 25 G HN 0.497 nan 8.290 nan 0.000 0.551 26 T N -1.464 113.067 114.554 -0.038 0.000 2.857 26 T HA -0.054 4.295 4.350 -0.001 0.000 0.266 26 T C 2.249 176.941 174.700 -0.013 0.000 1.048 26 T CA 1.505 63.596 62.100 -0.016 0.000 1.139 26 T CB -0.316 68.550 68.868 -0.002 0.000 0.874 26 T HN 0.388 nan 8.240 nan 0.000 0.455 27 Q N 0.955 120.741 119.800 -0.023 0.000 2.124 27 Q HA 0.056 4.395 4.340 -0.001 0.000 0.202 27 Q C 2.817 178.795 176.000 -0.037 0.000 0.977 27 Q CA 1.395 57.185 55.803 -0.021 0.000 0.850 27 Q CB -0.453 28.268 28.738 -0.028 0.000 0.901 27 Q HN 0.730 nan 8.270 nan 0.000 0.429 28 A N 0.870 123.656 122.820 -0.057 0.000 1.902 28 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 28 A C 2.044 179.576 177.584 -0.086 0.000 1.181 28 A CA 1.112 53.093 52.037 -0.093 0.000 0.623 28 A CB -0.676 18.261 19.000 -0.106 0.000 0.818 28 A HN 0.296 nan 8.150 nan 0.000 0.443 29 L N -0.810 120.384 121.223 -0.049 0.000 2.131 29 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 29 L C 2.867 179.734 176.870 -0.006 0.000 1.092 29 L CA 1.396 56.220 54.840 -0.025 0.000 0.759 29 L CB -0.520 41.535 42.059 -0.007 0.000 0.903 29 L HN 0.502 nan 8.230 nan 0.000 0.435 30 Q N -0.724 119.074 119.800 -0.002 0.000 2.084 30 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 30 Q C 2.377 178.389 176.000 0.020 0.000 0.978 30 Q CA 1.433 57.244 55.803 0.014 0.000 0.844 30 Q CB -0.181 28.567 28.738 0.016 0.000 0.898 30 Q HN 0.354 nan 8.270 nan 0.000 0.426 31 V N 1.139 121.052 119.914 -0.001 0.000 2.295 31 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 31 V C 2.133 178.270 176.094 0.072 0.000 1.049 31 V CA 1.683 63.993 62.300 0.017 0.000 1.024 31 V CB -0.462 31.334 31.823 -0.044 0.000 0.648 31 V HN 0.341 nan 8.190 nan 0.000 0.447 32 I N 0.384 120.963 120.570 0.016 0.000 2.252 32 I HA -0.214 3.956 4.170 -0.001 0.000 0.245 32 I C 2.671 178.870 176.117 0.137 0.000 1.102 32 I CA 1.437 62.806 61.300 0.116 0.000 1.385 32 I CB -0.631 37.380 38.000 0.020 0.000 1.064 32 I HN 0.275 nan 8.210 nan 0.000 0.414 33 A N 0.458 123.325 122.820 0.077 0.000 1.940 33 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 33 A C 1.886 179.512 177.584 0.071 0.000 1.176 33 A CA 2.131 54.207 52.037 0.066 0.000 0.631 33 A CB -0.583 18.443 19.000 0.044 0.000 0.814 33 A HN 0.345 nan 8.150 nan 0.000 0.446 34 D N 0.026 120.472 120.400 0.077 0.000 2.312 34 D HA -0.028 4.612 4.640 -0.001 0.000 0.211 34 D C 0.116 176.469 176.300 0.090 0.000 0.964 34 D CA 0.692 54.736 54.000 0.074 0.000 0.877 34 D CB -0.107 40.735 40.800 0.069 0.000 0.924 34 D HN 0.427 nan 8.370 nan 0.000 0.515 35 N N 0.496 119.279 118.700 0.138 0.000 2.679 35 N HA 0.095 4.834 4.740 -0.001 0.000 0.302 35 N C -2.114 173.455 175.510 0.100 0.000 1.941 35 N CA -0.823 52.304 53.050 0.128 0.000 0.875 35 N CB 1.940 40.551 38.487 0.207 0.000 1.278 35 N HN 0.081 nan 8.380 nan 0.000 0.490 36 P HA -0.131 nan 4.420 nan 0.000 0.225 36 P C 0.833 178.133 177.300 -0.001 0.000 1.148 36 P CA 1.150 64.280 63.100 0.051 0.000 0.779 36 P CB 0.314 32.038 31.700 0.040 0.000 0.780 37 D N -0.184 120.195 120.400 -0.036 0.000 2.144 37 D HA -0.159 4.480 4.640 -0.001 0.000 0.200 37 D C 1.821 178.026 176.300 -0.159 0.000 0.978 37 D CA 0.984 54.938 54.000 -0.076 0.000 0.833 37 D CB -0.463 40.295 40.800 -0.071 0.000 0.961 37 D HN 0.090 nan 8.370 nan 0.000 0.470 38 R N -0.383 119.938 120.500 -0.298 0.000 2.156 38 R HA 0.243 4.583 4.340 -0.001 0.000 0.207 38 R C 0.257 176.132 176.300 -0.708 0.000 1.040 38 R CA 0.235 55.943 56.100 -0.653 0.000 1.013 38 R CB 0.054 29.658 30.300 -1.161 0.000 0.931 38 R HN 0.259 nan 8.270 nan 0.000 0.465 39 F N 0.502 120.462 119.950 0.017 0.000 2.576 39 F HA 0.315 4.841 4.527 -0.001 0.000 0.313 39 F C -0.302 175.508 175.800 0.017 0.000 1.078 39 F CA -1.272 56.739 58.000 0.019 0.000 0.921 39 F CB 1.972 40.984 39.000 0.021 0.000 1.232 39 F HN -0.132 nan 8.300 nan 0.000 0.459 40 E N 0.487 120.814 120.200 0.212 0.000 2.272 40 E HA 0.646 4.996 4.350 -0.001 0.000 0.269 40 E C -1.764 174.898 176.600 0.104 0.000 0.877 40 E CA -1.109 55.369 56.400 0.129 0.000 0.755 40 E CB 2.196 31.944 29.700 0.081 0.000 1.192 40 E HN 0.319 nan 8.360 nan 0.000 0.422 41 V N 3.096 123.055 119.914 0.075 0.000 2.555 41 V HA 0.099 4.218 4.120 -0.001 0.000 0.286 41 V C 0.916 177.037 176.094 0.046 0.000 1.044 41 V CA 0.029 62.359 62.300 0.049 0.000 1.026 41 V CB 0.930 32.774 31.823 0.036 0.000 0.981 41 V HN 0.781 nan 8.190 nan 0.000 0.480 42 V N 0.980 120.918 119.914 0.040 0.000 3.398 42 V HA 0.754 4.873 4.120 -0.001 0.000 0.298 42 V C 0.505 176.621 176.094 0.036 0.000 1.496 42 V CA 0.494 62.818 62.300 0.039 0.000 1.044 42 V CB 0.288 32.135 31.823 0.039 0.000 0.880 42 V HN 1.007 nan 8.190 nan 0.000 0.443 43 G N 0.483 109.300 108.800 0.029 0.000 2.733 43 G HA2 0.659 4.618 3.960 -0.001 0.000 0.297 43 G HA3 0.659 4.618 3.960 -0.001 0.000 0.297 43 G C -1.881 173.030 174.900 0.019 0.000 1.452 43 G CA -0.658 44.458 45.100 0.026 0.000 0.940 43 G HN 0.224 nan 8.290 nan 0.000 0.547 44 L N 0.792 122.034 121.223 0.030 0.000 2.431 44 L HA 0.851 5.191 4.340 -0.001 0.000 0.266 44 L C 0.083 176.972 176.870 0.031 0.000 0.978 44 L CA -0.961 53.895 54.840 0.026 0.000 0.822 44 L CB 2.418 44.498 42.059 0.035 0.000 1.310 44 L HN 0.831 nan 8.230 nan 0.000 0.409 45 A N 2.268 125.099 122.820 0.019 0.000 2.393 45 A HA 0.998 5.317 4.320 -0.001 0.000 0.306 45 A C -0.974 176.627 177.584 0.027 0.000 1.050 45 A CA -0.212 51.839 52.037 0.024 0.000 0.724 45 A CB 1.920 20.919 19.000 -0.001 0.000 1.248 45 A HN 0.822 nan 8.150 nan 0.000 0.424 46 A N 0.583 123.428 122.820 0.042 0.000 2.564 46 A HA 0.775 5.095 4.320 -0.001 0.000 0.288 46 A C 0.854 178.467 177.584 0.048 0.000 1.164 46 A CA 0.009 52.074 52.037 0.047 0.000 0.712 46 A CB 0.614 19.652 19.000 0.062 0.000 1.303 46 A HN 1.756 nan 8.150 nan 0.000 0.418 47 G N -1.045 107.783 108.800 0.048 0.000 2.396 47 G HA2 0.391 4.351 3.960 -0.001 0.000 0.214 47 G HA3 0.391 4.351 3.960 -0.001 0.000 0.214 47 G C 1.190 176.109 174.900 0.032 0.000 1.166 47 G CA 1.401 46.522 45.100 0.034 0.000 0.793 47 G HN 2.394 nan 8.290 nan 0.000 0.533 48 G N -0.883 107.938 108.800 0.035 0.000 2.336 48 G HA2 0.055 4.014 3.960 -0.001 0.000 0.194 48 G HA3 0.055 4.014 3.960 -0.001 0.000 0.194 48 G C 1.417 176.307 174.900 -0.016 0.000 0.999 48 G CA 0.987 46.102 45.100 0.025 0.000 0.669 48 G HN 1.100 nan 8.290 nan 0.000 0.482 49 A N 0.131 122.909 122.820 -0.070 0.000 1.933 49 A HA 0.176 4.496 4.320 -0.001 0.000 0.218 49 A C 1.313 178.689 177.584 -0.348 0.000 1.175 49 A CA 1.974 53.880 52.037 -0.219 0.000 0.628 49 A CB -0.399 18.421 19.000 -0.300 0.000 0.814 49 A HN 0.736 nan 8.150 nan 0.000 0.444 50 H N -1.146 117.943 119.070 0.032 0.000 2.476 50 H HA 0.345 4.901 4.556 -0.001 0.000 0.256 50 H C 0.955 176.305 175.328 0.037 0.000 1.321 50 H CA -0.380 55.691 56.048 0.039 0.000 1.056 50 H CB 0.455 30.242 29.762 0.042 0.000 1.643 50 H HN 0.322 nan 8.280 nan 0.000 0.541 51 L N 0.321 121.595 121.223 0.085 0.000 2.042 51 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 51 L C 1.277 178.191 176.870 0.073 0.000 1.076 51 L CA 1.921 56.802 54.840 0.069 0.000 0.749 51 L CB -0.025 42.059 42.059 0.041 0.000 0.893 51 L HN 0.331 nan 8.230 nan 0.000 0.432 52 D N -1.011 119.435 120.400 0.076 0.000 2.123 52 D HA -0.171 4.468 4.640 -0.001 0.000 0.196 52 D C 2.112 178.456 176.300 0.073 0.000 0.992 52 D CA 1.833 55.874 54.000 0.067 0.000 0.833 52 D CB -0.418 40.422 40.800 0.067 0.000 0.954 52 D HN 0.391 nan 8.370 nan 0.000 0.455 53 T N 1.067 115.681 114.554 0.100 0.000 2.708 53 T HA -0.138 4.212 4.350 -0.001 0.000 0.266 53 T C 1.901 176.642 174.700 0.067 0.000 1.037 53 T CA 0.610 62.760 62.100 0.084 0.000 1.146 53 T CB -0.393 68.531 68.868 0.093 0.000 0.865 53 T HN 0.042 nan 8.240 nan 0.000 0.435 54 L N 1.032 122.300 121.223 0.074 0.000 2.042 54 L HA -0.013 4.327 4.340 -0.001 0.000 0.210 54 L C 2.130 179.031 176.870 0.052 0.000 1.076 54 L CA 1.617 56.493 54.840 0.061 0.000 0.749 54 L CB -0.716 41.383 42.059 0.066 0.000 0.893 54 L HN 0.266 nan 8.230 nan 0.000 0.432 55 L N -1.087 120.166 121.223 0.050 0.000 2.093 55 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 55 L C 2.757 179.649 176.870 0.036 0.000 1.085 55 L CA 1.145 56.009 54.840 0.041 0.000 0.755 55 L CB -0.522 41.558 42.059 0.036 0.000 0.904 55 L HN 0.243 nan 8.230 nan 0.000 0.435 56 R N -0.247 120.276 120.500 0.038 0.000 2.092 56 R HA -0.166 4.173 4.340 -0.001 0.000 0.231 56 R C 2.300 178.620 176.300 0.033 0.000 1.119 56 R CA 1.237 57.357 56.100 0.034 0.000 0.970 56 R CB -0.268 30.053 30.300 0.035 0.000 0.864 56 R HN 0.485 nan 8.270 nan 0.000 0.440 57 Q N 0.088 119.910 119.800 0.036 0.000 2.084 57 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 57 Q C 2.190 178.210 176.000 0.033 0.000 0.978 57 Q CA 1.488 57.311 55.803 0.034 0.000 0.844 57 Q CB -0.152 28.607 28.738 0.035 0.000 0.898 57 Q HN 0.248 nan 8.270 nan 0.000 0.426 58 R N 0.471 120.992 120.500 0.036 0.000 2.083 58 R HA -0.188 4.151 4.340 -0.001 0.000 0.237 58 R C 2.124 178.442 176.300 0.030 0.000 1.137 58 R CA 1.511 57.633 56.100 0.035 0.000 0.951 58 R CB -0.317 30.006 30.300 0.037 0.000 0.851 58 R HN 0.244 nan 8.270 nan 0.000 0.434 59 A N 0.432 123.269 122.820 0.028 0.000 1.898 59 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 59 A C 2.074 179.672 177.584 0.023 0.000 1.181 59 A CA 1.463 53.515 52.037 0.024 0.000 0.620 59 A CB -0.398 18.615 19.000 0.022 0.000 0.819 59 A HN 0.539 nan 8.150 nan 0.000 0.442 60 Q N -0.861 118.954 119.800 0.025 0.000 2.049 60 Q HA -0.102 4.237 4.340 -0.001 0.000 0.198 60 Q C 2.324 178.339 176.000 0.026 0.000 0.971 60 Q CA 1.981 57.799 55.803 0.024 0.000 0.833 60 Q CB -0.273 28.480 28.738 0.025 0.000 0.896 60 Q HN 0.859 nan 8.270 nan 0.000 0.434 61 T N -3.904 110.666 114.554 0.028 0.000 3.035 61 T HA 0.185 4.534 4.350 -0.001 0.000 0.259 61 T C 1.516 176.235 174.700 0.030 0.000 1.078 61 T CA 0.703 62.822 62.100 0.030 0.000 1.132 61 T CB 0.310 69.198 68.868 0.032 0.000 0.900 61 T HN 0.458 nan 8.240 nan 0.000 0.480 62 G N 0.758 109.575 108.800 0.029 0.000 2.176 62 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.253 62 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.253 62 G C 0.099 175.018 174.900 0.032 0.000 0.979 62 G CA -0.021 45.096 45.100 0.028 0.000 0.641 62 G HN 0.736 nan 8.290 nan 0.000 0.530 63 V N 2.311 122.246 119.914 0.036 0.000 2.439 63 V HA 0.402 4.522 4.120 -0.001 0.000 0.271 63 V C 1.713 177.834 176.094 0.045 0.000 1.040 63 V CA 1.131 63.456 62.300 0.041 0.000 1.002 63 V CB 0.936 32.785 31.823 0.043 0.000 1.000 63 V HN 0.643 nan 8.190 nan 0.000 0.477 64 T N 0.591 115.174 114.554 0.047 0.000 3.044 64 T HA 0.046 4.396 4.350 -0.001 0.000 0.250 64 T C 0.878 175.619 174.700 0.068 0.000 1.081 64 T CA -0.065 62.064 62.100 0.048 0.000 1.040 64 T CB -0.277 68.612 68.868 0.036 0.000 0.962 64 T HN 0.442 nan 8.240 nan 0.000 0.506 65 N N 2.659 121.410 118.700 0.085 0.000 2.739 65 N HA 0.294 5.034 4.740 -0.001 0.000 0.266 65 N C -0.364 175.233 175.510 0.145 0.000 1.168 65 N CA -0.699 52.432 53.050 0.135 0.000 1.055 65 N CB -0.594 37.967 38.487 0.123 0.000 1.393 65 N HN 0.724 nan 8.380 nan 0.000 0.514 66 I N -1.334 119.336 120.570 0.167 0.000 2.892 66 I HA 0.920 5.090 4.170 -0.001 0.000 0.306 66 I C -0.981 175.264 176.117 0.213 0.000 1.078 66 I CA -1.424 59.964 61.300 0.147 0.000 1.032 66 I CB 2.289 40.347 38.000 0.098 0.000 1.229 66 I HN 0.197 nan 8.210 nan 0.000 0.435 67 A N 4.141 127.056 122.820 0.159 0.000 2.393 67 A HA 0.819 5.138 4.320 -0.001 0.000 0.306 67 A C -1.201 176.456 177.584 0.122 0.000 1.050 67 A CA -0.604 51.537 52.037 0.173 0.000 0.724 67 A CB 1.871 20.938 19.000 0.111 0.000 1.248 67 A HN 0.577 nan 8.150 nan 0.000 0.424 68 V N 2.075 122.074 119.914 0.141 0.000 2.483 68 V HA 0.514 4.634 4.120 -0.001 0.000 0.297 68 V C 1.070 177.232 176.094 0.113 0.000 1.027 68 V CA 0.153 62.520 62.300 0.111 0.000 0.855 68 V CB 1.192 33.078 31.823 0.105 0.000 0.995 68 V HN 1.256 nan 8.190 nan 0.000 0.424 69 A N 3.123 125.988 122.820 0.075 0.000 1.897 69 A HA -0.055 4.265 4.320 -0.001 0.000 0.215 69 A C 1.016 178.635 177.584 0.058 0.000 1.181 69 A CA 1.146 53.218 52.037 0.059 0.000 0.620 69 A CB -0.282 18.737 19.000 0.032 0.000 0.821 69 A HN 0.871 nan 8.150 nan 0.000 0.443 70 D N -0.470 119.960 120.400 0.050 0.000 2.325 70 D HA 0.206 4.846 4.640 -0.001 0.000 0.251 70 D C 1.066 177.405 176.300 0.065 0.000 1.196 70 D CA -0.145 53.876 54.000 0.035 0.000 0.866 70 D CB 0.609 41.423 40.800 0.024 0.000 1.101 70 D HN 0.157 nan 8.370 nan 0.000 0.476 71 E N 2.314 122.552 120.200 0.064 0.000 2.077 71 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 71 E C 1.360 178.036 176.600 0.126 0.000 0.989 71 E CA 1.073 57.527 56.400 0.091 0.000 0.800 71 E CB -0.092 29.663 29.700 0.093 0.000 0.746 71 E HN 0.643 nan 8.360 nan 0.000 0.452 72 H N 0.544 119.610 119.070 -0.006 0.000 2.319 72 H HA -0.112 4.444 4.556 -0.001 0.000 0.297 72 H C 1.946 177.261 175.328 -0.021 0.000 1.097 72 H CA 1.721 57.760 56.048 -0.015 0.000 1.285 72 H CB -0.556 29.199 29.762 -0.011 0.000 1.368 72 H HN 0.215 nan 8.280 nan 0.000 0.495 73 A N 0.515 123.410 122.820 0.125 0.000 1.902 73 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 73 A C 2.630 180.227 177.584 0.023 0.000 1.181 73 A CA 1.866 53.936 52.037 0.055 0.000 0.623 73 A CB -1.048 17.981 19.000 0.048 0.000 0.818 73 A HN 0.477 nan 8.150 nan 0.000 0.443 74 A N -0.844 121.988 122.820 0.019 0.000 1.972 74 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 74 A C 1.986 179.509 177.584 -0.102 0.000 1.169 74 A CA 1.535 53.548 52.037 -0.041 0.000 0.635 74 A CB -0.462 18.502 19.000 -0.060 0.000 0.810 74 A HN 0.548 nan 8.150 nan 0.000 0.446 75 Q N -0.245 119.511 119.800 -0.073 0.000 2.364 75 Q HA -0.123 4.216 4.340 -0.001 0.000 0.209 75 Q C 1.678 177.638 176.000 -0.067 0.000 0.977 75 Q CA 1.020 56.774 55.803 -0.082 0.000 0.885 75 Q CB -0.271 28.428 28.738 -0.066 0.000 0.941 75 Q HN 0.707 nan 8.270 nan 0.000 0.464 76 R N -0.238 120.233 120.500 -0.048 0.000 2.299 76 R HA 0.054 4.394 4.340 -0.001 0.000 0.197 76 R C 1.608 177.891 176.300 -0.030 0.000 0.971 76 R CA 0.315 56.394 56.100 -0.036 0.000 1.030 76 R CB 0.491 30.778 30.300 -0.021 0.000 0.932 76 R HN 0.044 nan 8.270 nan 0.000 0.477 77 V N -2.077 117.815 119.914 -0.037 0.000 3.029 77 V HA 0.254 4.373 4.120 -0.001 0.000 0.230 77 V C 1.464 177.537 176.094 -0.034 0.000 1.254 77 V CA 0.823 63.108 62.300 -0.026 0.000 1.276 77 V CB 0.390 32.206 31.823 -0.012 0.000 1.080 77 V HN 0.404 nan 8.190 nan 0.000 0.495 78 G N 2.013 110.777 108.800 -0.060 0.000 2.212 78 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.266 78 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.266 78 G C 0.238 175.118 174.900 -0.033 0.000 0.978 78 G CA 0.771 45.836 45.100 -0.058 0.000 0.632 78 G HN 0.753 nan 8.290 nan 0.000 0.537 79 D N -0.387 120.003 120.400 -0.017 0.000 2.740 79 D HA 0.343 4.982 4.640 -0.001 0.000 0.301 79 D C 0.432 176.743 176.300 0.017 0.000 1.408 79 D CA -0.594 53.406 54.000 -0.000 0.000 0.808 79 D CB -0.516 40.284 40.800 0.000 0.000 1.128 79 D HN 0.383 nan 8.370 nan 0.000 0.465 80 I N 1.825 122.418 120.570 0.039 0.000 2.352 80 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 80 I C -1.074 175.102 176.117 0.099 0.000 1.036 80 I CA -1.821 59.531 61.300 0.087 0.000 1.336 80 I CB 1.594 39.668 38.000 0.124 0.000 1.407 80 I HN -0.192 nan 8.210 nan 0.000 0.497 81 P HA -0.125 nan 4.420 nan 0.000 0.218 81 P C -0.408 176.530 177.300 -0.604 0.000 1.149 81 P CA 1.394 64.298 63.100 -0.326 0.000 0.817 81 P CB 0.081 31.528 31.700 -0.421 0.000 0.785 82 Y N -0.068 120.244 120.300 0.021 0.000 2.326 82 Y HA 0.433 4.983 4.550 -0.001 0.000 0.329 82 Y C 0.456 176.354 175.900 -0.003 0.000 0.973 82 Y CA -1.007 57.054 58.100 -0.066 0.000 1.162 82 Y CB 1.142 39.582 38.460 -0.034 0.000 1.147 82 Y HN 0.075 nan 8.280 nan 0.000 0.456 83 H N 0.360 119.504 119.070 0.123 0.000 3.012 83 H HA 0.877 5.433 4.556 -0.001 0.000 0.367 83 H C 0.042 175.408 175.328 0.065 0.000 1.211 83 H CA -1.275 54.820 56.048 0.079 0.000 1.139 83 H CB 1.770 31.560 29.762 0.048 0.000 1.838 83 H HN 0.890 nan 8.280 nan 0.000 0.550 84 G N 0.408 109.322 108.800 0.189 0.000 2.631 84 G HA2 0.091 4.050 3.960 -0.001 0.000 0.504 84 G HA3 0.091 4.050 3.960 -0.001 0.000 0.504 84 G C -0.336 174.599 174.900 0.060 0.000 1.306 84 G CA -0.550 44.619 45.100 0.115 0.000 0.897 84 G HN 1.463 nan 8.290 nan 0.000 0.520 85 S N -0.782 114.940 115.700 0.037 0.000 2.560 85 S HA 0.442 4.911 4.470 -0.001 0.000 0.284 85 S C 0.689 175.296 174.600 0.013 0.000 1.327 85 S CA 1.243 59.455 58.200 0.018 0.000 1.055 85 S CB 1.171 64.376 63.200 0.009 0.000 0.868 85 S HN 1.832 nan 8.310 nan 0.000 0.506 86 D N 0.177 120.579 120.400 0.004 0.000 3.046 86 D HA -0.214 4.425 4.640 -0.001 0.000 0.210 86 D C 1.193 177.488 176.300 -0.009 0.000 1.124 86 D CA 1.178 55.174 54.000 -0.007 0.000 0.986 86 D CB -1.407 39.388 40.800 -0.008 0.000 1.118 86 D HN 0.749 nan 8.370 nan 0.000 0.416 87 A N 0.351 123.179 122.820 0.013 0.000 1.883 87 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 87 A C 2.501 180.062 177.584 -0.039 0.000 1.186 87 A CA 2.724 54.782 52.037 0.036 0.000 0.624 87 A CB -0.805 18.248 19.000 0.088 0.000 0.822 87 A HN 0.533 nan 8.150 nan 0.000 0.444 88 A N -1.187 121.610 122.820 -0.038 0.000 1.877 88 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 88 A C 2.319 179.833 177.584 -0.117 0.000 1.186 88 A CA 2.348 54.341 52.037 -0.073 0.000 0.620 88 A CB -1.374 17.602 19.000 -0.040 0.000 0.822 88 A HN 0.442 nan 8.150 nan 0.000 0.443 89 T N -0.259 114.242 114.554 -0.088 0.000 2.684 89 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 89 T C 2.071 176.690 174.700 -0.135 0.000 1.036 89 T CA 1.747 63.793 62.100 -0.090 0.000 1.148 89 T CB -0.267 68.568 68.868 -0.056 0.000 0.863 89 T HN 0.512 nan 8.240 nan 0.000 0.436 90 R N 0.262 120.669 120.500 -0.155 0.000 2.081 90 R HA 0.026 4.365 4.340 -0.001 0.000 0.235 90 R C 2.519 178.511 176.300 -0.514 0.000 1.131 90 R CA 1.044 57.018 56.100 -0.211 0.000 0.960 90 R CB -0.613 29.648 30.300 -0.065 0.000 0.856 90 R HN 0.316 nan 8.270 nan 0.000 0.436 91 L N 0.671 121.442 121.223 -0.754 0.000 2.042 91 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 91 L C 2.122 178.756 176.870 -0.392 0.000 1.076 91 L CA 1.364 55.679 54.840 -0.875 0.000 0.749 91 L CB -0.162 41.556 42.059 -0.568 0.000 0.893 91 L HN -0.032 nan 8.230 nan 0.000 0.432 92 V N -0.006 119.761 119.914 -0.245 0.000 2.295 92 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 92 V C 2.390 178.416 176.094 -0.114 0.000 1.049 92 V CA 2.198 64.414 62.300 -0.140 0.000 1.024 92 V CB -0.602 31.161 31.823 -0.100 0.000 0.648 92 V HN 0.516 nan 8.190 nan 0.000 0.447 93 E N -0.355 119.774 120.200 -0.119 0.000 2.204 93 E HA -0.237 4.113 4.350 -0.001 0.000 0.195 93 E C 1.944 178.510 176.600 -0.057 0.000 0.990 93 E CA 1.097 57.453 56.400 -0.075 0.000 0.821 93 E CB -0.071 29.592 29.700 -0.062 0.000 0.750 93 E HN 0.669 nan 8.360 nan 0.000 0.477 94 Q N -0.253 119.494 119.800 -0.087 0.000 2.247 94 Q HA 0.106 4.446 4.340 -0.001 0.000 0.211 94 Q C -0.391 175.607 176.000 -0.004 0.000 0.861 94 Q CA 0.167 55.958 55.803 -0.020 0.000 0.949 94 Q CB 1.409 30.177 28.738 0.050 0.000 1.115 94 Q HN -0.020 nan 8.270 nan 0.000 0.507 95 T N 1.163 115.694 114.554 -0.039 0.000 2.786 95 T HA 0.217 4.567 4.350 -0.001 0.000 0.283 95 T C -0.519 174.178 174.700 -0.005 0.000 0.992 95 T CA -0.511 61.581 62.100 -0.012 0.000 0.954 95 T CB 1.633 70.483 68.868 -0.029 0.000 0.934 95 T HN 0.043 nan 8.240 nan 0.000 0.440 96 E N 1.995 122.201 120.200 0.011 0.000 2.351 96 E HA 0.461 4.811 4.350 -0.001 0.000 0.266 96 E C -0.290 176.319 176.600 0.015 0.000 1.031 96 E CA -0.231 56.177 56.400 0.013 0.000 0.911 96 E CB 0.538 30.249 29.700 0.018 0.000 0.986 96 E HN 0.734 nan 8.360 nan 0.000 0.446 97 A N 3.553 126.381 122.820 0.014 0.000 2.606 97 A HA 0.303 4.622 4.320 -0.001 0.000 0.293 97 A C -0.386 177.214 177.584 0.027 0.000 1.082 97 A CA -0.740 51.309 52.037 0.021 0.000 0.685 97 A CB 1.400 20.407 19.000 0.012 0.000 1.284 97 A HN 0.564 nan 8.150 nan 0.000 0.408 98 D N -0.545 119.880 120.400 0.042 0.000 2.324 98 D HA 0.209 4.849 4.640 -0.001 0.000 0.212 98 D C 0.097 176.429 176.300 0.053 0.000 0.984 98 D CA 1.284 55.314 54.000 0.050 0.000 0.885 98 D CB 0.681 41.521 40.800 0.067 0.000 0.996 98 D HN 0.232 nan 8.370 nan 0.000 0.505 99 V N 1.469 121.415 119.914 0.053 0.000 2.638 99 V HA 0.315 4.435 4.120 -0.001 0.000 0.306 99 V C -0.309 175.792 176.094 0.012 0.000 1.052 99 V CA -0.864 61.461 62.300 0.041 0.000 0.885 99 V CB 2.931 34.794 31.823 0.066 0.000 0.999 99 V HN -0.257 nan 8.190 nan 0.000 0.424 100 V N 5.422 125.332 119.914 -0.006 0.000 2.357 100 V HA 0.413 4.532 4.120 -0.001 0.000 0.284 100 V C -0.329 175.744 176.094 -0.034 0.000 1.018 100 V CA -0.525 61.761 62.300 -0.023 0.000 0.841 100 V CB 1.566 33.370 31.823 -0.030 0.000 0.991 100 V HN 0.693 nan 8.190 nan 0.000 0.437 101 L N 5.451 126.649 121.223 -0.041 0.000 2.268 101 L HA 0.505 4.845 4.340 -0.001 0.000 0.289 101 L C 0.123 176.965 176.870 -0.047 0.000 1.064 101 L CA 0.294 55.103 54.840 -0.051 0.000 0.824 101 L CB 0.636 42.656 42.059 -0.065 0.000 1.202 101 L HN 0.596 nan 8.230 nan 0.000 0.433 102 N N 4.465 123.137 118.700 -0.048 0.000 2.521 102 N HA 0.374 5.114 4.740 -0.001 0.000 0.236 102 N C -0.062 175.423 175.510 -0.042 0.000 1.067 102 N CA 0.293 53.316 53.050 -0.044 0.000 0.939 102 N CB 1.211 39.670 38.487 -0.046 0.000 1.201 102 N HN 0.722 nan 8.380 nan 0.000 0.511 103 A N 4.570 127.367 122.820 -0.039 0.000 2.630 103 A HA 0.294 4.613 4.320 -0.001 0.000 0.290 103 A C 0.523 178.088 177.584 -0.031 0.000 1.267 103 A CA -0.411 51.603 52.037 -0.038 0.000 0.950 103 A CB -0.197 18.777 19.000 -0.043 0.000 1.144 103 A HN 0.581 nan 8.150 nan 0.000 0.527 104 L N -0.269 120.938 121.223 -0.028 0.000 2.467 104 L HA 0.251 4.591 4.340 -0.001 0.000 0.270 104 L C 0.373 177.231 176.870 -0.020 0.000 1.205 104 L CA -0.179 54.648 54.840 -0.021 0.000 0.828 104 L CB 1.170 43.216 42.059 -0.021 0.000 1.101 104 L HN 0.109 nan 8.230 nan 0.000 0.479 105 V N 2.460 122.365 119.914 -0.016 0.000 2.472 105 V HA 0.777 4.897 4.120 -0.001 0.000 0.290 105 V C 0.551 176.637 176.094 -0.014 0.000 1.037 105 V CA 0.622 62.913 62.300 -0.015 0.000 0.908 105 V CB 0.757 32.572 31.823 -0.014 0.000 0.985 105 V HN 1.005 nan 8.190 nan 0.000 0.454 106 G N 5.118 113.910 108.800 -0.014 0.000 2.645 106 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.239 106 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.239 106 G C 1.010 175.900 174.900 -0.016 0.000 1.331 106 G CA 0.114 45.206 45.100 -0.014 0.000 0.890 106 G HN 2.085 nan 8.290 nan 0.000 0.572 107 A N -0.957 121.852 122.820 -0.018 0.000 1.997 107 A HA 0.022 4.341 4.320 -0.001 0.000 0.221 107 A C 2.506 180.077 177.584 -0.020 0.000 1.172 107 A CA 3.399 55.424 52.037 -0.021 0.000 0.645 107 A CB -0.603 18.383 19.000 -0.023 0.000 0.813 107 A HN 2.002 nan 8.150 nan 0.000 0.454 108 L N -2.729 118.483 121.223 -0.018 0.000 2.599 108 L HA 0.398 4.738 4.340 -0.001 0.000 0.230 108 L C 1.745 178.603 176.870 -0.020 0.000 1.141 108 L CA 1.171 56.000 54.840 -0.018 0.000 0.877 108 L CB -0.902 41.148 42.059 -0.014 0.000 1.009 108 L HN 0.056 nan 8.230 nan 0.000 0.447 109 G N -0.165 108.621 108.800 -0.022 0.000 2.712 109 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.212 109 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.212 109 G C 1.300 176.182 174.900 -0.030 0.000 1.142 109 G CA 0.487 45.572 45.100 -0.027 0.000 0.789 109 G HN 0.342 nan 8.290 nan 0.000 0.535 110 L N 0.718 121.925 121.223 -0.027 0.000 2.005 110 L HA 0.139 4.478 4.340 -0.001 0.000 0.207 110 L C 2.797 179.649 176.870 -0.030 0.000 1.072 110 L CA 1.635 56.458 54.840 -0.029 0.000 0.744 110 L CB -0.580 41.464 42.059 -0.025 0.000 0.895 110 L HN 0.083 nan 8.230 nan 0.000 0.433 111 R N -0.303 120.181 120.500 -0.027 0.000 2.083 111 R HA -0.146 4.194 4.340 -0.001 0.000 0.237 111 R C -0.117 176.162 176.300 -0.034 0.000 1.137 111 R CA 2.000 58.084 56.100 -0.028 0.000 0.951 111 R CB -1.791 28.495 30.300 -0.024 0.000 0.851 111 R HN 0.415 nan 8.270 nan 0.000 0.434 112 P HA -0.096 nan 4.420 nan 0.000 0.216 112 P C 1.113 178.386 177.300 -0.045 0.000 1.150 112 P CA 1.396 64.469 63.100 -0.045 0.000 0.837 112 P CB -0.061 31.612 31.700 -0.045 0.000 0.786 113 T N -0.062 114.467 114.554 -0.043 0.000 2.652 113 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 113 T C 1.734 176.408 174.700 -0.043 0.000 1.039 113 T CA 1.285 63.358 62.100 -0.046 0.000 1.153 113 T CB -1.010 67.829 68.868 -0.049 0.000 0.863 113 T HN 0.046 nan 8.240 nan 0.000 0.428 114 L N 0.649 121.849 121.223 -0.039 0.000 2.042 114 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 114 L C 3.030 179.879 176.870 -0.034 0.000 1.076 114 L CA 1.374 56.194 54.840 -0.034 0.000 0.749 114 L CB -0.693 41.348 42.059 -0.029 0.000 0.893 114 L HN 0.243 nan 8.230 nan 0.000 0.432 115 A N -0.038 122.760 122.820 -0.036 0.000 1.902 115 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 115 A C 2.527 180.088 177.584 -0.039 0.000 1.181 115 A CA 1.786 53.800 52.037 -0.038 0.000 0.623 115 A CB -0.726 18.246 19.000 -0.047 0.000 0.818 115 A HN 0.411 nan 8.150 nan 0.000 0.443 116 A N -0.322 122.473 122.820 -0.042 0.000 1.930 116 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 116 A C 2.156 179.721 177.584 -0.033 0.000 1.175 116 A CA 1.423 53.437 52.037 -0.039 0.000 0.627 116 A CB -0.569 18.406 19.000 -0.041 0.000 0.815 116 A HN 0.473 nan 8.150 nan 0.000 0.443 117 L N -0.729 120.473 121.223 -0.035 0.000 2.046 117 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 117 L C 2.612 179.467 176.870 -0.025 0.000 1.077 117 L CA 1.838 56.659 54.840 -0.032 0.000 0.747 117 L CB -0.407 41.629 42.059 -0.038 0.000 0.896 117 L HN 0.422 nan 8.230 nan 0.000 0.432 118 K N 0.019 120.404 120.400 -0.025 0.000 2.147 118 K HA -0.182 4.138 4.320 -0.001 0.000 0.205 118 K C 2.081 178.672 176.600 -0.016 0.000 1.049 118 K CA 1.788 58.064 56.287 -0.020 0.000 0.936 118 K CB -0.032 32.456 32.500 -0.020 0.000 0.722 118 K HN 0.440 nan 8.250 nan 0.000 0.446 119 T N -3.198 111.345 114.554 -0.018 0.000 2.962 119 T HA 0.026 4.376 4.350 -0.001 0.000 0.270 119 T C 1.412 176.107 174.700 -0.008 0.000 1.088 119 T CA 1.058 63.149 62.100 -0.014 0.000 1.127 119 T CB -0.196 68.662 68.868 -0.017 0.000 0.883 119 T HN 0.399 nan 8.240 nan 0.000 0.493 120 G N 1.084 109.879 108.800 -0.008 0.000 2.157 120 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.248 120 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.248 120 G C 0.277 175.178 174.900 0.003 0.000 0.979 120 G CA 0.013 45.112 45.100 -0.003 0.000 0.650 120 G HN 1.186 nan 8.290 nan 0.000 0.529 121 A N -0.295 122.525 122.820 0.000 0.000 2.366 121 A HA 0.737 5.056 4.320 -0.001 0.000 0.249 121 A C 0.802 178.390 177.584 0.007 0.000 1.084 121 A CA 0.527 52.569 52.037 0.008 0.000 0.794 121 A CB 0.291 19.294 19.000 0.004 0.000 1.034 121 A HN 0.860 nan 8.150 nan 0.000 0.491 122 R N -0.168 120.345 120.500 0.021 0.000 2.590 122 R HA 0.334 4.674 4.340 -0.001 0.000 0.274 122 R C -0.936 175.361 176.300 -0.004 0.000 1.061 122 R CA -0.210 55.901 56.100 0.018 0.000 1.081 122 R CB 0.197 30.532 30.300 0.057 0.000 0.984 122 R HN 0.558 nan 8.270 nan 0.000 0.448 123 L N 4.475 125.680 121.223 -0.031 0.000 2.295 123 L HA 0.449 4.788 4.340 -0.001 0.000 0.281 123 L C -0.862 175.968 176.870 -0.067 0.000 1.018 123 L CA -0.066 54.745 54.840 -0.048 0.000 0.841 123 L CB 1.308 43.331 42.059 -0.061 0.000 1.218 123 L HN 0.764 nan 8.230 nan 0.000 0.424 124 A N 5.441 128.229 122.820 -0.053 0.000 2.376 124 A HA 0.462 4.782 4.320 -0.001 0.000 0.298 124 A C -0.652 176.891 177.584 -0.069 0.000 1.271 124 A CA -0.299 51.699 52.037 -0.064 0.000 0.926 124 A CB -0.258 18.714 19.000 -0.047 0.000 1.141 124 A HN 0.683 nan 8.150 nan 0.000 0.539 125 L N 3.404 124.576 121.223 -0.085 0.000 2.265 125 L HA 0.656 4.995 4.340 -0.001 0.000 0.289 125 L C 0.763 177.598 176.870 -0.058 0.000 1.033 125 L CA 0.466 55.260 54.840 -0.078 0.000 0.814 125 L CB 1.298 43.295 42.059 -0.103 0.000 1.203 125 L HN 0.640 nan 8.230 nan 0.000 0.423 126 A N 4.046 126.839 122.820 -0.044 0.000 2.013 126 A HA 0.105 4.424 4.320 -0.001 0.000 0.204 126 A C 0.961 178.533 177.584 -0.020 0.000 1.262 126 A CA -0.007 52.014 52.037 -0.026 0.000 0.800 126 A CB -0.365 18.616 19.000 -0.032 0.000 0.909 126 A HN 0.769 nan 8.150 nan 0.000 0.472 127 N N 0.995 119.678 118.700 -0.029 0.000 2.332 127 N HA -0.071 4.668 4.740 -0.001 0.000 0.274 127 N C 0.507 176.005 175.510 -0.020 0.000 1.351 127 N CA 0.341 53.376 53.050 -0.025 0.000 0.875 127 N CB 0.460 38.929 38.487 -0.031 0.000 1.140 127 N HN 0.385 nan 8.380 nan 0.000 0.489 128 K N 2.984 123.382 120.400 -0.004 0.000 2.097 128 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 128 K C 1.217 177.817 176.600 0.001 0.000 1.050 128 K CA 1.254 57.547 56.287 0.010 0.000 0.938 128 K CB 0.142 32.662 32.500 0.032 0.000 0.718 128 K HN 0.515 nan 8.250 nan 0.000 0.442 129 E N 0.513 120.711 120.200 -0.004 0.000 2.153 129 E HA -0.109 4.241 4.350 -0.001 0.000 0.194 129 E C 1.883 178.473 176.600 -0.017 0.000 0.988 129 E CA 0.979 57.375 56.400 -0.006 0.000 0.811 129 E CB -0.097 29.597 29.700 -0.010 0.000 0.746 129 E HN 0.098 nan 8.360 nan 0.000 0.466 130 S N 0.140 115.823 115.700 -0.028 0.000 2.372 130 S HA -0.179 4.291 4.470 -0.001 0.000 0.227 130 S C 1.811 176.385 174.600 -0.044 0.000 1.044 130 S CA 1.140 59.317 58.200 -0.039 0.000 1.050 130 S CB -0.191 62.978 63.200 -0.051 0.000 0.901 130 S HN 0.203 nan 8.310 nan 0.000 0.447 131 L N 0.181 121.375 121.223 -0.049 0.000 2.200 131 L HA 0.078 4.417 4.340 -0.001 0.000 0.200 131 L C 2.284 179.143 176.870 -0.018 0.000 1.072 131 L CA 0.417 55.224 54.840 -0.055 0.000 0.787 131 L CB -0.445 41.554 42.059 -0.100 0.000 0.957 131 L HN 0.158 nan 8.230 nan 0.000 0.459 132 V N 0.183 120.098 119.914 0.002 0.000 2.358 132 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 132 V C 2.489 178.600 176.094 0.027 0.000 1.047 132 V CA 2.001 64.320 62.300 0.032 0.000 1.035 132 V CB -0.690 31.169 31.823 0.060 0.000 0.658 132 V HN 0.462 nan 8.190 nan 0.000 0.452 133 A N 0.014 122.841 122.820 0.010 0.000 1.920 133 A HA 0.248 4.567 4.320 -0.001 0.000 0.209 133 A C 2.332 179.911 177.584 -0.008 0.000 1.229 133 A CA 1.072 53.108 52.037 -0.001 0.000 0.671 133 A CB -0.999 17.994 19.000 -0.013 0.000 0.886 133 A HN 0.458 nan 8.150 nan 0.000 0.461 134 G N -0.759 108.033 108.800 -0.013 0.000 2.443 134 G HA2 0.257 4.216 3.960 -0.001 0.000 0.219 134 G HA3 0.257 4.216 3.960 -0.001 0.000 0.219 134 G C 1.446 176.338 174.900 -0.012 0.000 1.131 134 G CA 1.049 46.139 45.100 -0.016 0.000 0.775 134 G HN 1.338 nan 8.290 nan 0.000 0.547 135 G N 0.616 109.409 108.800 -0.010 0.000 2.684 135 G HA2 -0.447 3.512 3.960 -0.001 0.000 0.358 135 G HA3 -0.447 3.512 3.960 -0.001 0.000 0.358 135 G C 1.968 176.862 174.900 -0.009 0.000 1.164 135 G CA 2.781 47.880 45.100 -0.001 0.000 0.935 135 G HN 1.450 nan 8.290 nan 0.000 0.574 136 S N 0.412 116.114 115.700 0.004 0.000 2.453 136 S HA 0.190 4.659 4.470 -0.001 0.000 0.231 136 S C 2.488 177.082 174.600 -0.011 0.000 1.005 136 S CA 1.560 59.759 58.200 -0.002 0.000 0.949 136 S CB -0.125 63.082 63.200 0.011 0.000 0.774 136 S HN 0.563 nan 8.310 nan 0.000 0.510 137 L N 0.837 122.055 121.223 -0.009 0.000 2.012 137 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 137 L C 2.691 179.546 176.870 -0.024 0.000 1.073 137 L CA 1.382 56.214 54.840 -0.013 0.000 0.748 137 L CB -0.579 41.474 42.059 -0.011 0.000 0.891 137 L HN 0.296 nan 8.230 nan 0.000 0.431 138 V N -0.155 119.740 119.914 -0.032 0.000 2.379 138 V HA -0.253 3.867 4.120 -0.001 0.000 0.245 138 V C 2.348 178.409 176.094 -0.056 0.000 1.044 138 V CA 1.291 63.563 62.300 -0.046 0.000 1.036 138 V CB -0.209 31.581 31.823 -0.056 0.000 0.664 138 V HN 0.336 nan 8.190 nan 0.000 0.453 139 L N -0.480 120.709 121.223 -0.057 0.000 2.093 139 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 139 L C 2.720 179.559 176.870 -0.051 0.000 1.085 139 L CA 1.543 56.343 54.840 -0.067 0.000 0.755 139 L CB -0.582 41.435 42.059 -0.071 0.000 0.904 139 L HN 0.266 nan 8.230 nan 0.000 0.435 140 R N -0.217 120.261 120.500 -0.036 0.000 2.189 140 R HA -0.049 4.290 4.340 -0.001 0.000 0.218 140 R C 2.210 178.493 176.300 -0.028 0.000 1.074 140 R CA 1.016 57.099 56.100 -0.028 0.000 0.991 140 R CB -0.186 30.103 30.300 -0.019 0.000 0.883 140 R HN 0.311 nan 8.270 nan 0.000 0.457 141 A N 0.943 123.743 122.820 -0.032 0.000 2.030 141 A HA 0.280 4.599 4.320 -0.001 0.000 0.215 141 A C 1.016 178.579 177.584 -0.035 0.000 1.164 141 A CA 0.430 52.449 52.037 -0.031 0.000 0.697 141 A CB 0.214 19.195 19.000 -0.031 0.000 0.827 141 A HN 0.265 nan 8.150 nan 0.000 0.457 142 A N 0.175 122.968 122.820 -0.045 0.000 2.310 142 A HA 0.649 4.969 4.320 -0.001 0.000 0.299 142 A C 0.273 177.830 177.584 -0.045 0.000 1.147 142 A CA -0.602 51.404 52.037 -0.051 0.000 0.818 142 A CB 0.386 19.343 19.000 -0.072 0.000 1.096 142 A HN 0.468 nan 8.150 nan 0.000 0.495 143 R N 1.232 121.710 120.500 -0.036 0.000 2.573 143 R HA 0.424 4.764 4.340 -0.001 0.000 0.272 143 R C -2.538 173.744 176.300 -0.029 0.000 1.009 143 R CA -1.763 54.321 56.100 -0.026 0.000 1.059 143 R CB 0.402 30.694 30.300 -0.014 0.000 1.112 143 R HN 0.448 nan 8.270 nan 0.000 0.517 144 P HA -0.061 nan 4.420 nan 0.000 0.261 144 P C 0.495 177.795 177.300 0.000 0.000 1.173 144 P CA 1.083 64.175 63.100 -0.013 0.000 0.760 144 P CB 0.413 32.115 31.700 0.003 0.000 0.783 145 G N 2.424 111.218 108.800 -0.010 0.000 2.212 145 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.266 145 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.266 145 G C 1.119 176.007 174.900 -0.020 0.000 0.978 145 G CA 0.560 45.667 45.100 0.010 0.000 0.632 145 G HN 0.581 nan 8.290 nan 0.000 0.537 146 Q N -0.268 119.510 119.800 -0.037 0.000 2.123 146 Q HA 0.189 4.528 4.340 -0.001 0.000 0.199 146 Q C 1.221 177.175 176.000 -0.077 0.000 0.966 146 Q CA 0.653 56.433 55.803 -0.037 0.000 0.845 146 Q CB -0.017 28.701 28.738 -0.034 0.000 0.907 146 Q HN 0.677 nan 8.270 nan 0.000 0.439 147 I N 1.566 122.061 120.570 -0.124 0.000 2.342 147 I HA 0.160 4.330 4.170 -0.001 0.000 0.291 147 I C -0.906 175.065 176.117 -0.243 0.000 1.010 147 I CA -0.635 60.565 61.300 -0.167 0.000 1.308 147 I CB 1.645 39.532 38.000 -0.188 0.000 1.400 147 I HN -0.144 nan 8.210 nan 0.000 0.488 148 V N 8.431 128.197 119.914 -0.246 0.000 2.444 148 V HA 0.348 4.467 4.120 -0.001 0.000 0.294 148 V C -2.151 173.793 176.094 -0.251 0.000 1.022 148 V CA -1.726 60.361 62.300 -0.356 0.000 0.850 148 V CB 1.744 33.340 31.823 -0.378 0.000 0.992 148 V HN 0.589 nan 8.190 nan 0.000 0.426 149 P HA 0.192 nan 4.420 nan 0.000 0.275 149 P C 0.476 177.746 177.300 -0.050 0.000 1.227 149 P CA 0.100 63.125 63.100 -0.126 0.000 0.781 149 P CB 2.082 33.737 31.700 -0.076 0.000 0.906 150 V N 1.145 121.049 119.914 -0.015 0.000 2.992 150 V HA -0.016 4.103 4.120 -0.001 0.000 0.250 150 V C 1.090 177.186 176.094 0.002 0.000 1.090 150 V CA 1.079 63.371 62.300 -0.013 0.000 1.101 150 V CB -0.837 30.969 31.823 -0.029 0.000 0.743 150 V HN 0.532 nan 8.190 nan 0.000 0.468 151 D N -0.100 120.325 120.400 0.041 0.000 2.339 151 D HA 0.079 4.719 4.640 -0.001 0.000 0.245 151 D C 1.601 177.870 176.300 -0.051 0.000 1.115 151 D CA 0.833 54.827 54.000 -0.010 0.000 0.917 151 D CB 1.563 42.356 40.800 -0.013 0.000 1.192 151 D HN 0.178 nan 8.370 nan 0.000 0.428 152 S N 2.205 117.845 115.700 -0.100 0.000 2.370 152 S HA -0.266 4.204 4.470 -0.001 0.000 0.226 152 S C 1.535 176.090 174.600 -0.075 0.000 1.033 152 S CA 1.302 59.419 58.200 -0.138 0.000 1.011 152 S CB -0.392 62.685 63.200 -0.206 0.000 0.852 152 S HN 0.556 nan 8.310 nan 0.000 0.457 153 E N 1.100 121.232 120.200 -0.113 0.000 2.047 153 E HA -0.059 4.291 4.350 -0.001 0.000 0.191 153 E C 2.016 178.604 176.600 -0.021 0.000 0.987 153 E CA 1.718 58.062 56.400 -0.093 0.000 0.799 153 E CB -0.503 29.084 29.700 -0.189 0.000 0.752 153 E HN 0.837 nan 8.360 nan 0.000 0.449 154 H N -0.913 118.214 119.070 0.094 0.000 2.357 154 H HA -0.031 4.525 4.556 -0.001 0.000 0.301 154 H C 2.198 177.623 175.328 0.161 0.000 1.082 154 H CA 1.111 57.269 56.048 0.182 0.000 1.342 154 H CB 0.012 29.841 29.762 0.111 0.000 1.389 154 H HN 0.056 nan 8.280 nan 0.000 0.511 155 S N 0.362 116.165 115.700 0.172 0.000 2.368 155 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 155 S C 2.394 177.062 174.600 0.113 0.000 1.030 155 S CA 0.912 59.176 58.200 0.107 0.000 0.999 155 S CB -0.365 62.870 63.200 0.057 0.000 0.844 155 S HN 0.498 nan 8.310 nan 0.000 0.459 156 A N 1.573 124.443 122.820 0.083 0.000 1.883 156 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 156 A C 2.234 179.838 177.584 0.033 0.000 1.186 156 A CA 1.624 53.708 52.037 0.079 0.000 0.624 156 A CB -0.921 18.139 19.000 0.099 0.000 0.822 156 A HN 0.583 nan 8.150 nan 0.000 0.444 157 L N -0.752 120.457 121.223 -0.024 0.000 2.046 157 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 157 L C 3.115 179.799 176.870 -0.310 0.000 1.077 157 L CA 1.120 55.825 54.840 -0.226 0.000 0.747 157 L CB -0.673 41.150 42.059 -0.394 0.000 0.896 157 L HN 0.439 nan 8.230 nan 0.000 0.432 158 A N -0.373 122.356 122.820 -0.152 0.000 1.908 158 A HA -0.278 4.041 4.320 -0.001 0.000 0.218 158 A C 2.247 179.958 177.584 0.212 0.000 1.181 158 A CA 1.857 53.910 52.037 0.027 0.000 0.627 158 A CB -0.494 18.534 19.000 0.047 0.000 0.818 158 A HN 0.514 nan 8.150 nan 0.000 0.445 159 Q N -1.267 118.666 119.800 0.220 0.000 2.083 159 Q HA -0.142 4.197 4.340 -0.001 0.000 0.198 159 Q C 2.268 178.351 176.000 0.139 0.000 0.969 159 Q CA 1.600 57.538 55.803 0.225 0.000 0.838 159 Q CB -0.348 28.503 28.738 0.188 0.000 0.900 159 Q HN 0.753 nan 8.270 nan 0.000 0.436 160 C N 0.515 119.867 119.300 0.085 0.000 2.432 160 C HA -0.036 4.424 4.460 -0.001 0.000 0.280 160 C C 2.379 177.463 174.990 0.157 0.000 1.353 160 C CA 0.325 59.402 59.018 0.097 0.000 1.766 160 C CB -0.850 26.913 27.740 0.039 0.000 1.924 160 C HN 0.461 nan 8.230 nan 0.000 0.509 161 L N 0.364 121.629 121.223 0.071 0.000 2.362 161 L HA -0.078 4.262 4.340 -0.001 0.000 0.219 161 L C 2.616 179.605 176.870 0.198 0.000 1.134 161 L CA 1.008 55.911 54.840 0.105 0.000 0.807 161 L CB -0.473 41.555 42.059 -0.051 0.000 0.927 161 L HN 0.342 nan 8.230 nan 0.000 0.447 162 R N -0.179 120.419 120.500 0.163 0.000 2.241 162 R HA -0.086 4.254 4.340 -0.001 0.000 0.224 162 R C 2.080 178.417 176.300 0.061 0.000 1.101 162 R CA 0.893 57.061 56.100 0.113 0.000 0.995 162 R CB -0.434 29.918 30.300 0.086 0.000 0.870 162 R HN 0.362 nan 8.270 nan 0.000 0.463 163 G N -0.072 108.780 108.800 0.088 0.000 2.848 163 G HA2 0.162 4.121 3.960 -0.001 0.000 0.208 163 G HA3 0.162 4.121 3.960 -0.001 0.000 0.208 163 G C 0.327 174.914 174.900 -0.521 0.000 1.152 163 G CA 0.539 45.540 45.100 -0.164 0.000 0.789 163 G HN 0.434 nan 8.290 nan 0.000 0.531 164 G N -1.218 107.453 108.800 -0.214 0.000 2.495 164 G HA2 0.494 4.454 3.960 -0.001 0.000 0.294 164 G HA3 0.494 4.454 3.960 -0.001 0.000 0.294 164 G C -0.352 174.601 174.900 0.089 0.000 1.397 164 G CA 0.093 45.092 45.100 -0.169 0.000 0.790 164 G HN 0.527 nan 8.290 nan 0.000 0.486 165 T N -1.194 113.408 114.554 0.080 0.000 2.813 165 T HA 0.453 4.802 4.350 -0.001 0.000 0.297 165 T C -1.341 173.439 174.700 0.135 0.000 1.036 165 T CA -0.755 61.399 62.100 0.091 0.000 1.044 165 T CB 1.575 70.477 68.868 0.056 0.000 0.993 165 T HN 0.126 nan 8.240 nan 0.000 0.535 166 P HA -0.067 nan 4.420 nan 0.000 0.216 166 P C 0.868 178.205 177.300 0.061 0.000 1.150 166 P CA 1.015 64.158 63.100 0.071 0.000 0.843 166 P CB -0.057 31.675 31.700 0.052 0.000 0.787 167 D N -0.919 119.517 120.400 0.061 0.000 2.310 167 D HA -0.104 4.536 4.640 -0.001 0.000 0.212 167 D C 1.482 177.825 176.300 0.071 0.000 0.965 167 D CA 0.879 54.910 54.000 0.050 0.000 0.879 167 D CB -0.378 40.446 40.800 0.040 0.000 0.921 167 D HN 0.355 nan 8.370 nan 0.000 0.510 168 E N -0.231 120.044 120.200 0.125 0.000 2.479 168 E HA 0.060 4.410 4.350 -0.001 0.000 0.193 168 E C -0.023 176.719 176.600 0.237 0.000 1.049 168 E CA -0.102 56.419 56.400 0.201 0.000 0.870 168 E CB 0.870 30.717 29.700 0.244 0.000 0.944 168 E HN -0.001 nan 8.360 nan 0.000 0.492 169 V N 1.443 121.402 119.914 0.075 0.000 2.521 169 V HA 0.065 4.185 4.120 -0.001 0.000 0.286 169 V C 0.920 176.949 176.094 -0.109 0.000 1.034 169 V CA 0.399 62.603 62.300 -0.160 0.000 1.045 169 V CB 1.110 32.820 31.823 -0.188 0.000 0.974 169 V HN 0.207 nan 8.190 nan 0.000 0.480 170 A N 5.228 127.956 122.820 -0.153 0.000 1.920 170 A HA 0.332 4.651 4.320 -0.001 0.000 0.209 170 A C 0.861 178.380 177.584 -0.107 0.000 1.229 170 A CA 0.554 52.537 52.037 -0.090 0.000 0.671 170 A CB 0.276 19.243 19.000 -0.056 0.000 0.886 170 A HN 0.688 nan 8.150 nan 0.000 0.461 171 K N -0.567 119.735 120.400 -0.163 0.000 2.527 171 K HA 0.631 4.950 4.320 -0.001 0.000 0.260 171 K C -1.707 174.785 176.600 -0.180 0.000 0.937 171 K CA -0.337 55.870 56.287 -0.133 0.000 0.826 171 K CB 2.252 34.694 32.500 -0.097 0.000 1.359 171 K HN 0.191 nan 8.250 nan 0.000 0.434 172 L N 2.591 123.735 121.223 -0.131 0.000 2.307 172 L HA 0.566 4.906 4.340 -0.001 0.000 0.284 172 L C -0.708 176.116 176.870 -0.077 0.000 1.023 172 L CA -1.239 53.523 54.840 -0.131 0.000 0.810 172 L CB 1.606 43.602 42.059 -0.106 0.000 1.231 172 L HN 0.258 nan 8.230 nan 0.000 0.423 173 V N 4.621 124.486 119.914 -0.081 0.000 2.349 173 V HA 0.309 4.429 4.120 -0.001 0.000 0.284 173 V C -0.031 176.047 176.094 -0.026 0.000 1.014 173 V CA -0.515 61.754 62.300 -0.052 0.000 0.826 173 V CB 1.525 33.301 31.823 -0.079 0.000 1.009 173 V HN 0.450 nan 8.190 nan 0.000 0.431 174 L N 4.891 126.117 121.223 0.005 0.000 2.349 174 L HA 0.491 4.831 4.340 -0.001 0.000 0.275 174 L C 1.056 177.945 176.870 0.031 0.000 1.115 174 L CA 0.592 55.443 54.840 0.019 0.000 0.820 174 L CB 1.455 43.533 42.059 0.032 0.000 1.135 174 L HN 0.837 nan 8.230 nan 0.000 0.445 175 T N 0.294 114.874 114.554 0.043 0.000 2.913 175 T HA 0.823 5.173 4.350 -0.001 0.000 0.287 175 T C -0.202 174.531 174.700 0.054 0.000 1.008 175 T CA -0.711 61.440 62.100 0.084 0.000 1.067 175 T CB 1.593 70.537 68.868 0.128 0.000 0.996 175 T HN 0.742 nan 8.240 nan 0.000 0.513 176 A N 1.263 124.113 122.820 0.051 0.000 2.398 176 A HA 0.631 4.951 4.320 -0.001 0.000 0.301 176 A C 1.156 178.718 177.584 -0.037 0.000 1.041 176 A CA -0.318 51.716 52.037 -0.005 0.000 0.711 176 A CB 1.432 20.418 19.000 -0.024 0.000 1.240 176 A HN 1.179 nan 8.150 nan 0.000 0.420 177 S N 1.777 117.430 115.700 -0.077 0.000 2.400 177 S HA 0.169 4.639 4.470 -0.001 0.000 0.232 177 S C 1.609 176.122 174.600 -0.144 0.000 1.025 177 S CA 1.916 60.041 58.200 -0.125 0.000 0.993 177 S CB -0.288 62.834 63.200 -0.130 0.000 0.808 177 S HN 2.759 nan 8.310 nan 0.000 0.478 178 G N 0.430 109.132 108.800 -0.163 0.000 2.241 178 G HA2 0.179 4.138 3.960 -0.001 0.000 0.244 178 G HA3 0.179 4.138 3.960 -0.001 0.000 0.244 178 G C 1.331 176.050 174.900 -0.301 0.000 0.998 178 G CA 0.384 45.343 45.100 -0.235 0.000 0.621 178 G HN 1.945 nan 8.290 nan 0.000 0.519 179 G N 0.143 108.788 108.800 -0.259 0.000 2.750 179 G HA2 0.115 4.074 3.960 -0.001 0.000 0.228 179 G HA3 0.115 4.074 3.960 -0.001 0.000 0.228 179 G C -0.597 174.046 174.900 -0.429 0.000 1.367 179 G CA 0.481 45.385 45.100 -0.328 0.000 0.871 179 G HN 0.947 nan 8.290 nan 0.000 0.560 180 P HA 0.039 nan 4.420 nan 0.000 0.223 180 P C 1.081 177.844 177.300 -0.895 0.000 1.151 180 P CA 1.458 64.082 63.100 -0.794 0.000 0.787 180 P CB -0.081 30.964 31.700 -1.092 0.000 0.788 181 F N -0.475 119.099 119.950 -0.626 0.000 2.684 181 F HA 0.294 4.820 4.527 -0.001 0.000 0.298 181 F C 1.283 176.883 175.800 -0.334 0.000 1.120 181 F CA -1.132 56.229 58.000 -1.066 0.000 1.332 181 F CB -0.105 38.345 39.000 -0.918 0.000 0.986 181 F HN -0.278 nan 8.300 nan 0.000 0.524 182 R N 1.453 121.880 120.500 -0.122 0.000 2.486 182 R HA 0.168 4.508 4.340 -0.001 0.000 0.303 182 R C 1.268 177.734 176.300 0.276 0.000 0.958 182 R CA 1.229 57.333 56.100 0.007 0.000 1.077 182 R CB -0.003 30.264 30.300 -0.056 0.000 0.921 182 R HN 0.581 nan 8.270 nan 0.000 0.406 183 G N 3.467 112.466 108.800 0.331 0.000 2.148 183 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.254 183 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.254 183 G C -0.599 174.592 174.900 0.485 0.000 0.981 183 G CA 0.146 45.463 45.100 0.361 0.000 0.670 183 G HN 0.586 nan 8.290 nan 0.000 0.528 184 W N 1.984 123.441 121.300 0.262 0.000 2.261 184 W HA 0.629 5.288 4.660 -0.002 0.000 0.323 184 W C 1.234 177.813 176.519 0.100 0.000 1.243 184 W CA -0.403 57.047 57.345 0.174 0.000 1.210 184 W CB 0.862 30.436 29.460 0.189 0.000 1.149 184 W HN 0.500 nan 8.180 nan 0.000 0.562 185 S N 1.228 117.031 115.700 0.173 0.000 2.624 185 S HA 0.486 4.956 4.470 -0.001 0.000 0.263 185 S C 1.129 175.735 174.600 0.011 0.000 1.287 185 S CA -0.160 58.078 58.200 0.062 0.000 0.990 185 S CB 1.181 64.382 63.200 0.001 0.000 0.950 185 S HN 0.630 nan 8.310 nan 0.000 0.561 186 A N 1.504 124.296 122.820 -0.046 0.000 1.908 186 A HA 0.086 4.405 4.320 -0.001 0.000 0.218 186 A C 2.421 179.946 177.584 -0.099 0.000 1.181 186 A CA 1.971 53.954 52.037 -0.090 0.000 0.627 186 A CB -1.768 17.181 19.000 -0.085 0.000 0.818 186 A HN 1.361 nan 8.150 nan 0.000 0.445 187 A N 0.100 122.867 122.820 -0.089 0.000 1.883 187 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 187 A C 1.808 179.242 177.584 -0.251 0.000 1.186 187 A CA 1.965 53.929 52.037 -0.123 0.000 0.624 187 A CB -0.691 18.271 19.000 -0.063 0.000 0.822 187 A HN 0.493 nan 8.150 nan 0.000 0.444 188 D N 0.078 120.365 120.400 -0.188 0.000 2.123 188 D HA -0.146 4.494 4.640 -0.001 0.000 0.196 188 D C 1.906 178.073 176.300 -0.222 0.000 0.992 188 D CA 1.206 55.059 54.000 -0.244 0.000 0.833 188 D CB -0.373 40.282 40.800 -0.241 0.000 0.954 188 D HN 0.468 nan 8.370 nan 0.000 0.455 189 L N 1.029 122.204 121.223 -0.079 0.000 2.201 189 L HA -0.127 4.213 4.340 -0.001 0.000 0.212 189 L C 2.323 179.084 176.870 -0.183 0.000 1.105 189 L CA 0.707 55.481 54.840 -0.110 0.000 0.775 189 L CB -0.281 41.753 42.059 -0.041 0.000 0.913 189 L HN -0.053 nan 8.230 nan 0.000 0.440 190 E N 0.222 120.258 120.200 -0.274 0.000 2.130 190 E HA -0.212 4.137 4.350 -0.001 0.000 0.196 190 E C 1.365 177.876 176.600 -0.148 0.000 0.998 190 E CA 1.317 57.589 56.400 -0.213 0.000 0.806 190 E CB -0.302 29.270 29.700 -0.215 0.000 0.738 190 E HN 0.731 nan 8.360 nan 0.000 0.459 191 H N -1.017 118.064 119.070 0.018 0.000 2.488 191 H HA 0.316 4.871 4.556 -0.001 0.000 0.294 191 H C 0.262 175.606 175.328 0.026 0.000 1.088 191 H CA -0.400 55.667 56.048 0.031 0.000 1.086 191 H CB -0.308 29.466 29.762 0.020 0.000 1.569 191 H HN -0.191 nan 8.280 nan 0.000 0.548 192 V N 3.427 123.329 119.914 -0.020 0.000 2.599 192 V HA -0.012 4.107 4.120 -0.001 0.000 0.300 192 V C 1.094 177.284 176.094 0.160 0.000 1.034 192 V CA 0.493 62.692 62.300 -0.167 0.000 1.115 192 V CB 1.017 32.300 31.823 -0.899 0.000 0.934 192 V HN 0.676 nan 8.190 nan 0.000 0.485 193 T N 3.418 118.079 114.554 0.177 0.000 2.943 193 T HA 0.429 4.778 4.350 -0.001 0.000 0.284 193 T C -1.801 173.028 174.700 0.215 0.000 1.015 193 T CA -2.099 60.116 62.100 0.191 0.000 1.042 193 T CB 1.854 70.783 68.868 0.101 0.000 1.055 193 T HN 0.365 nan 8.240 nan 0.000 0.500 194 P HA -0.176 nan 4.420 nan 0.000 0.216 194 P C 1.444 178.729 177.300 -0.025 0.000 1.157 194 P CA 1.279 64.291 63.100 -0.146 0.000 0.880 194 P CB 0.128 31.633 31.700 -0.325 0.000 0.791 195 E N -0.441 119.737 120.200 -0.037 0.000 2.058 195 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 195 E C 2.116 178.695 176.600 -0.034 0.000 0.997 195 E CA 1.216 57.571 56.400 -0.075 0.000 0.801 195 E CB -0.290 29.427 29.700 0.028 0.000 0.746 195 E HN 0.286 nan 8.360 nan 0.000 0.450 196 Q N -0.424 119.437 119.800 0.101 0.000 2.135 196 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 196 Q C 1.958 178.076 176.000 0.197 0.000 0.981 196 Q CA 1.327 57.245 55.803 0.191 0.000 0.856 196 Q CB -0.126 28.773 28.738 0.268 0.000 0.902 196 Q HN 0.287 nan 8.270 nan 0.000 0.425 197 A N -0.130 122.835 122.820 0.242 0.000 2.239 197 A HA 0.209 4.529 4.320 -0.001 0.000 0.209 197 A C 1.377 178.959 177.584 -0.004 0.000 1.171 197 A CA 0.880 53.034 52.037 0.195 0.000 0.768 197 A CB -0.349 18.934 19.000 0.471 0.000 0.790 197 A HN 0.483 nan 8.150 nan 0.000 0.478 198 G N -2.254 106.476 108.800 -0.117 0.000 2.130 198 G HA2 0.113 4.072 3.960 -0.001 0.000 0.216 198 G HA3 0.113 4.072 3.960 -0.001 0.000 0.216 198 G C 0.304 175.015 174.900 -0.316 0.000 0.999 198 G CA 0.089 45.048 45.100 -0.235 0.000 0.686 198 G HN 1.566 nan 8.290 nan 0.000 0.515 199 A N 0.897 123.528 122.820 -0.314 0.000 2.990 199 A HA 0.645 4.965 4.320 -0.001 0.000 0.282 199 A C 0.415 177.819 177.584 -0.299 0.000 1.688 199 A CA 0.025 51.932 52.037 -0.218 0.000 1.391 199 A CB -0.388 18.547 19.000 -0.110 0.000 1.112 199 A HN 0.687 nan 8.150 nan 0.000 0.588 200 H N 0.998 120.085 119.070 0.028 0.000 2.567 200 H HA 0.457 5.012 4.556 -0.001 0.000 0.345 200 H C -2.209 173.140 175.328 0.034 0.000 1.169 200 H CA -2.263 53.804 56.048 0.031 0.000 1.227 200 H CB 0.793 30.576 29.762 0.035 0.000 1.607 200 H HN 0.263 nan 8.280 nan 0.000 0.534 201 P HA 0.051 nan 4.420 nan 0.000 0.226 201 P C -0.747 176.639 177.300 0.144 0.000 1.783 201 P CA -0.284 62.888 63.100 0.121 0.000 0.980 201 P CB -0.616 31.145 31.700 0.101 0.000 1.967 202 T N 2.138 116.776 114.554 0.141 0.000 2.779 202 T HA -0.013 4.336 4.350 -0.001 0.000 0.296 202 T C 1.241 176.007 174.700 0.110 0.000 0.938 202 T CA -0.491 61.699 62.100 0.149 0.000 1.119 202 T CB 0.424 69.358 68.868 0.109 0.000 0.891 202 T HN 0.448 nan 8.240 nan 0.000 0.526 203 W N 4.062 125.377 121.300 0.025 0.000 2.341 203 W HA -0.198 4.461 4.660 -0.001 0.000 0.283 203 W C 1.137 177.660 176.519 0.007 0.000 1.215 203 W CA 1.401 58.758 57.345 0.020 0.000 1.211 203 W CB -1.320 28.144 29.460 0.007 0.000 1.131 203 W HN 0.728 nan 8.180 nan 0.000 0.552 204 S N 1.756 116.829 115.700 -1.046 0.000 2.559 204 S HA 0.130 4.600 4.470 -0.001 0.000 0.212 204 S C 1.349 175.657 174.600 -0.487 0.000 0.994 204 S CA 0.320 57.845 58.200 -1.125 0.000 0.903 204 S CB -1.008 61.391 63.200 -1.337 0.000 0.861 204 S HN 0.238 nan 8.310 nan 0.000 0.601 205 M N 1.912 121.316 119.600 -0.327 0.000 2.241 205 M HA 0.632 5.112 4.480 -0.001 0.000 0.335 205 M C 0.569 176.807 176.300 -0.104 0.000 1.122 205 M CA -0.441 54.755 55.300 -0.174 0.000 1.164 205 M CB 0.046 32.574 32.600 -0.120 0.000 1.459 205 M HN 0.254 nan 8.290 nan 0.000 0.461 206 G N 1.264 110.024 108.800 -0.067 0.000 2.572 206 G HA2 0.435 4.394 3.960 -0.001 0.000 0.261 206 G HA3 0.435 4.394 3.960 -0.001 0.000 0.261 206 G C -1.712 173.178 174.900 -0.017 0.000 1.197 206 G CA -1.402 43.679 45.100 -0.031 0.000 0.870 206 G HN 0.721 nan 8.290 nan 0.000 0.548 207 P HA -0.088 nan 4.420 nan 0.000 0.223 207 P C 1.846 179.157 177.300 0.018 0.000 1.151 207 P CA 0.772 63.875 63.100 0.004 0.000 0.787 207 P CB 0.169 31.871 31.700 0.004 0.000 0.788 208 M N -0.086 119.522 119.600 0.014 0.000 2.175 208 M HA -0.096 4.384 4.480 -0.001 0.000 0.264 208 M C 1.738 178.048 176.300 0.018 0.000 1.063 208 M CA 1.422 56.735 55.300 0.022 0.000 1.119 208 M CB -1.780 30.826 32.600 0.010 0.000 1.377 208 M HN 0.054 nan 8.290 nan 0.000 0.415 209 N N -0.303 118.398 118.700 0.000 0.000 2.142 209 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 209 N C 1.600 177.104 175.510 -0.008 0.000 1.023 209 N CA 1.921 54.966 53.050 -0.008 0.000 0.852 209 N CB -0.018 38.455 38.487 -0.025 0.000 0.998 209 N HN 0.471 nan 8.380 nan 0.000 0.424 210 T N -0.294 114.254 114.554 -0.009 0.000 2.821 210 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 210 T C 1.836 176.538 174.700 0.004 0.000 1.046 210 T CA 0.566 62.654 62.100 -0.020 0.000 1.139 210 T CB -0.327 68.526 68.868 -0.026 0.000 0.871 210 T HN 0.050 nan 8.240 nan 0.000 0.454 211 L N 1.974 123.232 121.223 0.058 0.000 2.072 211 L HA 0.146 4.486 4.340 -0.001 0.000 0.205 211 L C 1.966 178.906 176.870 0.117 0.000 1.079 211 L CA 1.631 56.559 54.840 0.146 0.000 0.752 211 L CB -1.112 41.066 42.059 0.198 0.000 0.906 211 L HN 0.084 nan 8.230 nan 0.000 0.436 212 N N -0.751 117.984 118.700 0.058 0.000 2.166 212 N HA -0.172 4.567 4.740 -0.001 0.000 0.186 212 N C 2.077 177.606 175.510 0.031 0.000 1.019 212 N CA 1.351 54.422 53.050 0.036 0.000 0.856 212 N CB -0.450 38.051 38.487 0.022 0.000 0.993 212 N HN 0.488 nan 8.380 nan 0.000 0.426 213 S N 0.263 115.967 115.700 0.007 0.000 2.355 213 S HA -0.008 4.461 4.470 -0.001 0.000 0.222 213 S C 1.963 176.537 174.600 -0.045 0.000 1.031 213 S CA 1.248 59.429 58.200 -0.032 0.000 0.993 213 S CB -0.290 62.872 63.200 -0.063 0.000 0.859 213 S HN 0.356 nan 8.310 nan 0.000 0.453 214 A N 1.053 123.860 122.820 -0.023 0.000 1.930 214 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 214 A C 2.375 180.169 177.584 0.349 0.000 1.175 214 A CA 2.028 54.062 52.037 -0.006 0.000 0.627 214 A CB -0.943 18.011 19.000 -0.076 0.000 0.815 214 A HN 0.832 nan 8.150 nan 0.000 0.443 215 S N -1.646 114.243 115.700 0.315 0.000 2.558 215 S HA 0.216 4.686 4.470 -0.001 0.000 0.217 215 S C 0.907 175.623 174.600 0.193 0.000 0.975 215 S CA 0.556 58.896 58.200 0.234 0.000 0.912 215 S CB -0.002 63.147 63.200 -0.084 0.000 0.776 215 S HN 0.608 nan 8.310 nan 0.000 0.526 216 L N -0.232 121.060 121.223 0.115 0.000 4.937 216 L HA -0.190 4.150 4.340 -0.001 0.000 0.422 216 L C 1.435 178.362 176.870 0.095 0.000 1.059 216 L CA 0.745 55.626 54.840 0.068 0.000 1.111 216 L CB -2.485 39.621 42.059 0.078 0.000 2.033 216 L HN 0.391 nan 8.230 nan 0.000 0.708 217 V N -0.371 119.593 119.914 0.083 0.000 2.427 217 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 217 V C 2.203 178.377 176.094 0.133 0.000 1.051 217 V CA 2.390 64.757 62.300 0.112 0.000 1.048 217 V CB -0.460 31.360 31.823 -0.004 0.000 0.666 217 V HN 0.601 nan 8.190 nan 0.000 0.456 218 N N 0.603 119.348 118.700 0.075 0.000 2.094 218 N HA -0.249 4.491 4.740 -0.001 0.000 0.191 218 N C 1.736 177.289 175.510 0.071 0.000 1.023 218 N CA 1.660 54.748 53.050 0.064 0.000 0.857 218 N CB -0.181 38.321 38.487 0.025 0.000 1.013 218 N HN 0.242 nan 8.380 nan 0.000 0.426 219 K N -0.049 120.387 120.400 0.060 0.000 2.057 219 K HA 0.066 4.385 4.320 -0.001 0.000 0.207 219 K C 1.927 178.578 176.600 0.086 0.000 1.049 219 K CA 1.522 57.841 56.287 0.054 0.000 0.931 219 K CB -1.095 31.424 32.500 0.032 0.000 0.714 219 K HN 0.298 nan 8.250 nan 0.000 0.440 220 G N 0.864 109.734 108.800 0.116 0.000 2.446 220 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.217 220 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.217 220 G C 1.520 176.465 174.900 0.074 0.000 1.168 220 G CA 1.121 46.278 45.100 0.095 0.000 0.771 220 G HN 0.298 nan 8.290 nan 0.000 0.551 221 L N 0.066 121.388 121.223 0.165 0.000 2.042 221 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 221 L C 2.883 179.843 176.870 0.151 0.000 1.076 221 L CA 1.504 56.437 54.840 0.154 0.000 0.749 221 L CB -0.523 41.636 42.059 0.166 0.000 0.893 221 L HN 0.309 nan 8.230 nan 0.000 0.432 222 E N -0.414 119.879 120.200 0.154 0.000 2.150 222 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 222 E C 2.296 179.068 176.600 0.286 0.000 0.985 222 E CA 0.965 57.502 56.400 0.229 0.000 0.814 222 E CB -0.003 29.721 29.700 0.040 0.000 0.752 222 E HN 0.264 nan 8.360 nan 0.000 0.466 223 V N 1.300 121.324 119.914 0.183 0.000 2.307 223 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 223 V C 2.192 178.434 176.094 0.246 0.000 1.045 223 V CA 1.455 63.871 62.300 0.193 0.000 1.024 223 V CB -0.322 31.598 31.823 0.161 0.000 0.651 223 V HN 0.247 nan 8.190 nan 0.000 0.449 224 I N 0.019 120.728 120.570 0.233 0.000 2.118 224 I HA -0.314 3.856 4.170 -0.001 0.000 0.241 224 I C 2.530 178.735 176.117 0.146 0.000 1.070 224 I CA 1.980 63.435 61.300 0.258 0.000 1.327 224 I CB -0.458 37.605 38.000 0.105 0.000 1.034 224 I HN 0.384 nan 8.210 nan 0.000 0.405 225 E N 0.026 120.271 120.200 0.076 0.000 2.110 225 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 225 E C 2.140 178.600 176.600 -0.234 0.000 0.988 225 E CA 1.747 58.081 56.400 -0.109 0.000 0.804 225 E CB -0.190 29.405 29.700 -0.175 0.000 0.745 225 E HN 0.482 nan 8.360 nan 0.000 0.458 226 T N 0.019 114.563 114.554 -0.017 0.000 2.684 226 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 226 T C 1.709 176.411 174.700 0.003 0.000 1.036 226 T CA 1.838 63.995 62.100 0.095 0.000 1.148 226 T CB -0.426 68.605 68.868 0.272 0.000 0.863 226 T HN 0.345 nan 8.240 nan 0.000 0.436 227 H N 1.062 120.027 119.070 -0.174 0.000 2.290 227 H HA -0.007 4.548 4.556 -0.001 0.000 0.298 227 H C 2.008 177.193 175.328 -0.238 0.000 1.087 227 H CA 1.572 57.415 56.048 -0.341 0.000 1.291 227 H CB -0.527 28.744 29.762 -0.817 0.000 1.369 227 H HN 0.268 nan 8.280 nan 0.000 0.492 228 L N -0.454 120.627 121.223 -0.238 0.000 2.093 228 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 228 L C 2.586 179.234 176.870 -0.370 0.000 1.085 228 L CA 0.845 55.521 54.840 -0.272 0.000 0.755 228 L CB -0.330 41.652 42.059 -0.130 0.000 0.904 228 L HN 0.299 nan 8.230 nan 0.000 0.435 229 L N -1.381 119.535 121.223 -0.512 0.000 2.056 229 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 229 L C 1.727 178.117 176.870 -0.800 0.000 1.078 229 L CA 1.487 55.836 54.840 -0.819 0.000 0.749 229 L CB -0.158 41.078 42.059 -1.372 0.000 0.901 229 L HN 0.183 nan 8.230 nan 0.000 0.433 230 F N -1.397 118.430 119.950 -0.205 0.000 2.706 230 F HA 0.345 4.872 4.527 0.001 0.000 0.313 230 F C 1.495 177.182 175.800 -0.189 0.000 1.096 230 F CA 0.131 58.032 58.000 -0.166 0.000 1.219 230 F CB 0.358 39.283 39.000 -0.125 0.000 1.051 230 F HN 0.035 nan 8.300 nan 0.000 0.568 231 G N 2.135 110.827 108.800 -0.180 0.000 2.295 231 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.287 231 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.287 231 G C -0.217 174.580 174.900 -0.171 0.000 1.055 231 G CA -0.174 44.775 45.100 -0.251 0.000 0.922 231 G HN 0.174 nan 8.290 nan 0.000 0.503 232 I N 0.430 120.905 120.570 -0.159 0.000 2.377 232 I HA 0.363 4.533 4.170 -0.001 0.000 0.293 232 I C -1.871 174.242 176.117 -0.005 0.000 0.987 232 I CA -3.178 58.085 61.300 -0.062 0.000 1.185 232 I CB 1.409 39.389 38.000 -0.034 0.000 1.341 232 I HN -0.137 nan 8.210 nan 0.000 0.455 233 P HA 0.084 nan 4.420 nan 0.000 0.269 233 P C 0.436 177.732 177.300 -0.006 0.000 1.215 233 P CA 0.128 63.267 63.100 0.065 0.000 0.780 233 P CB 0.462 32.198 31.700 0.060 0.000 0.898 234 Y N 1.073 121.387 120.300 0.024 0.000 2.256 234 Y HA -0.240 4.310 4.550 -0.001 0.000 0.288 234 Y C 2.072 177.966 175.900 -0.010 0.000 1.155 234 Y CA 1.834 59.916 58.100 -0.030 0.000 1.203 234 Y CB -0.658 37.726 38.460 -0.126 0.000 0.980 234 Y HN 0.422 nan 8.280 nan 0.000 0.530 235 D N -0.270 120.209 120.400 0.131 0.000 2.378 235 D HA -0.114 4.526 4.640 -0.001 0.000 0.227 235 D C 1.149 177.475 176.300 0.043 0.000 1.012 235 D CA 0.769 54.813 54.000 0.075 0.000 0.905 235 D CB -0.337 40.496 40.800 0.055 0.000 0.895 235 D HN 0.275 nan 8.370 nan 0.000 0.532 236 R N -0.261 120.259 120.500 0.033 0.000 2.543 236 R HA 0.362 4.702 4.340 -0.001 0.000 0.323 236 R C -0.045 176.252 176.300 -0.006 0.000 1.002 236 R CA -0.271 55.830 56.100 0.002 0.000 1.106 236 R CB 0.881 31.173 30.300 -0.013 0.000 1.280 236 R HN 0.207 nan 8.270 nan 0.000 0.549 237 I N 1.748 122.332 120.570 0.023 0.000 2.359 237 I HA 0.210 4.380 4.170 -0.001 0.000 0.284 237 I C -0.654 175.489 176.117 0.043 0.000 1.018 237 I CA -0.571 60.747 61.300 0.029 0.000 1.173 237 I CB 1.326 39.358 38.000 0.052 0.000 1.326 237 I HN -0.183 nan 8.210 nan 0.000 0.462 238 D N 5.252 125.663 120.400 0.019 0.000 2.326 238 D HA 0.599 5.239 4.640 -0.001 0.000 0.248 238 D C -0.540 175.775 176.300 0.026 0.000 1.001 238 D CA -0.330 53.682 54.000 0.021 0.000 0.961 238 D CB 2.756 43.556 40.800 -0.000 0.000 1.183 238 D HN 0.029 nan 8.370 nan 0.000 0.502 239 V N 0.938 120.872 119.914 0.033 0.000 2.656 239 V HA 0.470 4.589 4.120 -0.001 0.000 0.307 239 V C -0.430 175.690 176.094 0.043 0.000 1.051 239 V CA -0.821 61.502 62.300 0.038 0.000 0.893 239 V CB 2.212 34.061 31.823 0.043 0.000 0.999 239 V HN 0.289 nan 8.190 nan 0.000 0.426 240 V N 5.512 125.462 119.914 0.060 0.000 2.680 240 V HA 0.619 4.739 4.120 -0.001 0.000 0.309 240 V C -0.491 175.683 176.094 0.134 0.000 1.052 240 V CA -0.427 61.934 62.300 0.102 0.000 0.908 240 V CB 2.478 34.370 31.823 0.114 0.000 1.001 240 V HN 0.635 nan 8.190 nan 0.000 0.431 241 V N 5.889 125.880 119.914 0.129 0.000 2.498 241 V HA 0.366 4.486 4.120 -0.001 0.000 0.279 241 V C -0.435 175.758 176.094 0.164 0.000 1.048 241 V CA -0.178 62.177 62.300 0.092 0.000 0.967 241 V CB 1.014 32.850 31.823 0.022 0.000 0.988 241 V HN 0.989 nan 8.190 nan 0.000 0.473 242 H N 7.021 126.073 119.070 -0.031 0.000 2.974 242 H HA 0.421 4.977 4.556 -0.000 0.000 0.285 242 H C -2.476 172.751 175.328 -0.169 0.000 1.227 242 H CA -1.850 54.108 56.048 -0.151 0.000 1.569 242 H CB 2.075 31.756 29.762 -0.135 0.000 1.648 242 H HN 0.307 nan 8.280 nan 0.000 0.521 243 P HA -0.131 nan 4.420 nan 0.000 0.218 243 P C 1.007 178.055 177.300 -0.419 0.000 1.149 243 P CA 1.055 63.970 63.100 -0.308 0.000 0.817 243 P CB 0.485 32.077 31.700 -0.181 0.000 0.785 244 Q N -1.102 118.289 119.800 -0.682 0.000 2.297 244 Q HA 0.059 4.398 4.340 -0.001 0.000 0.204 244 Q C 0.788 176.478 176.000 -0.516 0.000 0.962 244 Q CA 0.629 56.116 55.803 -0.527 0.000 0.879 244 Q CB -0.749 27.748 28.738 -0.402 0.000 0.947 244 Q HN 0.002 nan 8.270 nan 0.000 0.462 245 S N -0.724 114.549 115.700 -0.712 0.000 3.614 245 S HA -0.209 4.261 4.470 -0.001 0.000 0.360 245 S C 0.667 175.033 174.600 -0.390 0.000 1.023 245 S CA 0.622 58.611 58.200 -0.352 0.000 1.114 245 S CB -1.744 61.356 63.200 -0.167 0.000 0.907 245 S HN 0.408 nan 8.310 nan 0.000 0.470 246 I N -0.208 120.139 120.570 -0.372 0.000 2.729 246 I HA 0.186 4.356 4.170 -0.001 0.000 0.256 246 I C 1.004 176.631 176.117 -0.817 0.000 1.115 246 I CA 0.536 61.500 61.300 -0.561 0.000 1.446 246 I CB 0.137 37.749 38.000 -0.647 0.000 1.176 246 I HN 0.352 nan 8.210 nan 0.000 0.446 247 I N 2.108 122.288 120.570 -0.650 0.000 2.379 247 I HA -0.015 4.154 4.170 -0.001 0.000 0.290 247 I C 1.041 176.918 176.117 -0.400 0.000 1.063 247 I CA 0.161 61.129 61.300 -0.554 0.000 1.351 247 I CB 0.566 38.276 38.000 -0.484 0.000 1.410 247 I HN 0.300 nan 8.210 nan 0.000 0.505 248 H N 3.710 122.741 119.070 -0.065 0.000 2.562 248 H HA 0.303 4.859 4.556 -0.000 0.000 0.267 248 H C 0.316 175.629 175.328 -0.025 0.000 0.959 248 H CA 0.156 56.186 56.048 -0.030 0.000 1.204 248 H CB 0.932 30.673 29.762 -0.034 0.000 1.430 248 H HN 0.593 nan 8.280 nan 0.000 0.545 249 S N -0.764 114.963 115.700 0.045 0.000 2.707 249 S HA 0.360 4.830 4.470 -0.001 0.000 0.268 249 S C -1.360 173.229 174.600 -0.019 0.000 1.004 249 S CA -0.780 57.425 58.200 0.008 0.000 0.902 249 S CB 1.340 64.547 63.200 0.012 0.000 1.157 249 S HN 0.098 nan 8.310 nan 0.000 0.468 250 M N 1.179 120.749 119.600 -0.051 0.000 2.569 250 M HA 0.637 5.116 4.480 -0.001 0.000 0.279 250 M C -1.696 174.534 176.300 -0.116 0.000 1.253 250 M CA -0.762 54.498 55.300 -0.067 0.000 0.867 250 M CB 2.235 34.784 32.600 -0.086 0.000 1.727 250 M HN 0.349 nan 8.290 nan 0.000 0.467 251 V N 0.695 120.527 119.914 -0.137 0.000 2.531 251 V HA 0.489 4.608 4.120 -0.001 0.000 0.301 251 V C -0.593 175.300 176.094 -0.336 0.000 1.034 251 V CA -0.569 61.548 62.300 -0.304 0.000 0.865 251 V CB 2.051 33.611 31.823 -0.438 0.000 0.995 251 V HN 0.885 nan 8.190 nan 0.000 0.424 252 T N 5.793 120.139 114.554 -0.346 0.000 2.749 252 T HA 0.622 4.972 4.350 -0.001 0.000 0.287 252 T C -0.380 174.114 174.700 -0.343 0.000 0.970 252 T CA 0.035 62.001 62.100 -0.222 0.000 0.980 252 T CB 0.327 69.123 68.868 -0.120 0.000 0.924 252 T HN 0.278 nan 8.240 nan 0.000 0.456 253 F N 1.978 121.909 119.950 -0.031 0.000 2.380 253 F HA 0.386 4.912 4.527 -0.003 0.000 0.321 253 F C 2.011 177.799 175.800 -0.019 0.000 1.103 253 F CA -1.249 56.736 58.000 -0.024 0.000 1.067 253 F CB 0.495 39.482 39.000 -0.021 0.000 1.265 253 F HN 0.550 nan 8.300 nan 0.000 0.517 254 I N -1.335 119.342 120.570 0.179 0.000 2.423 254 I HA -0.219 3.951 4.170 -0.001 0.000 0.254 254 I C 1.436 177.597 176.117 0.073 0.000 1.151 254 I CA 1.553 62.907 61.300 0.090 0.000 1.421 254 I CB -0.618 37.427 38.000 0.074 0.000 1.079 254 I HN 0.567 nan 8.210 nan 0.000 0.431 255 D N 1.140 121.594 120.400 0.091 0.000 2.355 255 D HA 0.085 4.725 4.640 -0.001 0.000 0.218 255 D C 1.758 178.086 176.300 0.047 0.000 1.004 255 D CA 0.888 54.920 54.000 0.053 0.000 0.880 255 D CB -0.037 40.783 40.800 0.033 0.000 0.911 255 D HN 0.560 nan 8.370 nan 0.000 0.528 256 G N -0.423 108.416 108.800 0.064 0.000 2.179 256 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.220 256 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.220 256 G C 0.259 175.193 174.900 0.057 0.000 0.990 256 G CA 0.205 45.332 45.100 0.044 0.000 0.646 256 G HN 0.586 nan 8.290 nan 0.000 0.517 257 S N 0.847 116.604 115.700 0.096 0.000 2.528 257 S HA 0.590 5.059 4.470 -0.001 0.000 0.277 257 S C 0.487 175.199 174.600 0.186 0.000 1.297 257 S CA 0.907 59.173 58.200 0.109 0.000 1.052 257 S CB 0.654 63.900 63.200 0.076 0.000 0.917 257 S HN 0.471 nan 8.310 nan 0.000 0.492 258 T N 6.261 120.883 114.554 0.114 0.000 2.794 258 T HA 0.497 4.846 4.350 -0.001 0.000 0.280 258 T C -0.490 174.287 174.700 0.128 0.000 0.987 258 T CA -0.577 61.583 62.100 0.099 0.000 0.993 258 T CB 0.596 69.462 68.868 -0.003 0.000 0.939 258 T HN 0.468 nan 8.240 nan 0.000 0.449 259 I N 2.806 123.486 120.570 0.184 0.000 2.377 259 I HA 0.682 4.852 4.170 -0.001 0.000 0.293 259 I C 0.212 176.382 176.117 0.089 0.000 0.987 259 I CA -1.034 60.362 61.300 0.161 0.000 1.185 259 I CB 0.993 39.149 38.000 0.260 0.000 1.341 259 I HN 0.711 nan 8.210 nan 0.000 0.455 260 A N 6.421 129.287 122.820 0.078 0.000 2.386 260 A HA 0.625 4.944 4.320 -0.001 0.000 0.311 260 A C -0.709 176.917 177.584 0.071 0.000 1.068 260 A CA -0.598 51.470 52.037 0.053 0.000 0.743 260 A CB 2.194 21.224 19.000 0.049 0.000 1.258 260 A HN 0.649 nan 8.150 nan 0.000 0.429 261 Q N 1.035 120.868 119.800 0.055 0.000 2.307 261 Q HA 0.657 4.997 4.340 -0.001 0.000 0.262 261 Q C -1.024 175.005 176.000 0.048 0.000 0.961 261 Q CA -0.363 55.490 55.803 0.083 0.000 0.882 261 Q CB 1.701 30.505 28.738 0.109 0.000 1.264 261 Q HN 1.015 nan 8.270 nan 0.000 0.446 262 A N 2.887 125.740 122.820 0.055 0.000 2.374 262 A HA 0.799 5.119 4.320 -0.001 0.000 0.305 262 A C -1.158 176.464 177.584 0.063 0.000 1.053 262 A CA -0.319 51.676 52.037 -0.070 0.000 0.726 262 A CB 1.368 20.255 19.000 -0.189 0.000 1.229 262 A HN 0.811 nan 8.150 nan 0.000 0.431 263 S N 1.195 116.940 115.700 0.075 0.000 2.552 263 S HA 0.736 5.206 4.470 -0.001 0.000 0.272 263 S C -3.448 171.232 174.600 0.134 0.000 1.150 263 S CA -1.303 56.974 58.200 0.128 0.000 0.849 263 S CB 1.255 64.543 63.200 0.148 0.000 1.113 263 S HN 0.354 nan 8.310 nan 0.000 0.458 264 P HA 0.300 nan 4.420 nan 0.000 0.265 264 P C -2.572 174.783 177.300 0.092 0.000 1.193 264 P CA -0.663 62.462 63.100 0.043 0.000 0.765 264 P CB -0.741 30.970 31.700 0.018 0.000 0.823 265 P HA 0.032 nan 4.420 nan 0.000 0.260 265 P C -0.580 176.735 177.300 0.026 0.000 1.172 265 P CA 1.167 64.323 63.100 0.093 0.000 0.760 265 P CB 0.178 31.910 31.700 0.055 0.000 0.773 266 D N 3.686 124.078 120.400 -0.013 0.000 2.087 266 D HA 0.020 4.660 4.640 -0.001 0.000 0.161 266 D C 0.484 176.751 176.300 -0.056 0.000 1.196 266 D CA -0.294 53.693 54.000 -0.022 0.000 0.916 266 D CB 0.533 41.330 40.800 -0.005 0.000 2.216 266 D HN 0.015 nan 8.370 nan 0.000 0.512 267 M N 2.359 121.927 119.600 -0.053 0.000 2.549 267 M HA 0.003 4.483 4.480 -0.001 0.000 0.260 267 M C 1.510 177.780 176.300 -0.050 0.000 1.076 267 M CA 0.787 56.048 55.300 -0.066 0.000 1.090 267 M CB -0.287 32.278 32.600 -0.059 0.000 1.418 267 M HN 0.377 nan 8.290 nan 0.000 0.486 268 K N -0.122 120.259 120.400 -0.031 0.000 2.211 268 K HA -0.151 4.168 4.320 -0.001 0.000 0.203 268 K C 1.826 178.421 176.600 -0.009 0.000 1.050 268 K CA 0.701 56.977 56.287 -0.018 0.000 0.945 268 K CB -0.121 32.377 32.500 -0.003 0.000 0.732 268 K HN 0.139 nan 8.250 nan 0.000 0.451 269 L N 2.142 123.355 121.223 -0.017 0.000 1.961 269 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 269 L C -1.242 175.631 176.870 0.005 0.000 1.072 269 L CA 1.908 56.746 54.840 -0.003 0.000 0.749 269 L CB -1.052 40.994 42.059 -0.021 0.000 0.889 269 L HN 0.048 nan 8.230 nan 0.000 0.432 270 P HA -0.148 nan 4.420 nan 0.000 0.220 270 P C 2.158 179.464 177.300 0.009 0.000 1.148 270 P CA 1.660 64.757 63.100 -0.005 0.000 0.803 270 P CB -0.030 31.639 31.700 -0.052 0.000 0.782 271 I N 0.922 121.482 120.570 -0.016 0.000 2.179 271 I HA -0.240 3.930 4.170 -0.001 0.000 0.242 271 I C 2.793 178.896 176.117 -0.023 0.000 1.088 271 I CA 2.041 63.322 61.300 -0.031 0.000 1.357 271 I CB -0.844 37.125 38.000 -0.053 0.000 1.051 271 I HN 0.070 nan 8.210 nan 0.000 0.409 272 S N 1.190 116.892 115.700 0.004 0.000 2.370 272 S HA -0.219 4.250 4.470 -0.001 0.000 0.226 272 S C 2.018 176.695 174.600 0.129 0.000 1.033 272 S CA 1.128 59.355 58.200 0.045 0.000 1.011 272 S CB -0.840 62.412 63.200 0.086 0.000 0.852 272 S HN 0.345 nan 8.310 nan 0.000 0.457 273 L N 2.018 123.329 121.223 0.145 0.000 2.093 273 L HA 0.261 4.600 4.340 -0.001 0.000 0.208 273 L C 2.715 179.777 176.870 0.320 0.000 1.085 273 L CA 1.533 56.520 54.840 0.245 0.000 0.755 273 L CB -1.292 40.924 42.059 0.263 0.000 0.904 273 L HN 0.384 nan 8.230 nan 0.000 0.435 274 A N -0.679 122.249 122.820 0.180 0.000 1.902 274 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 274 A C 2.254 179.915 177.584 0.128 0.000 1.181 274 A CA 1.830 53.937 52.037 0.117 0.000 0.623 274 A CB -0.769 18.235 19.000 0.007 0.000 0.818 274 A HN 0.473 nan 8.150 nan 0.000 0.443 275 L N -1.040 120.219 121.223 0.061 0.000 2.027 275 L HA -0.103 4.237 4.340 -0.001 0.000 0.206 275 L C 2.589 179.635 176.870 0.294 0.000 1.074 275 L CA 1.269 56.108 54.840 -0.003 0.000 0.745 275 L CB -0.563 41.231 42.059 -0.442 0.000 0.898 275 L HN 0.503 nan 8.230 nan 0.000 0.433 276 G N -1.992 107.056 108.800 0.414 0.000 3.042 276 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.212 276 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.212 276 G C 0.442 175.508 174.900 0.276 0.000 1.166 276 G CA -0.544 44.819 45.100 0.439 0.000 0.767 276 G HN 0.230 nan 8.290 nan 0.000 0.546 277 W N 2.595 123.965 121.300 0.117 0.000 2.409 277 W HA 0.040 4.699 4.660 -0.002 0.000 0.338 277 W C -1.486 175.071 176.519 0.063 0.000 1.273 277 W CA -0.924 56.468 57.345 0.078 0.000 1.299 277 W CB 0.973 30.471 29.460 0.063 0.000 1.192 277 W HN 0.111 nan 8.180 nan 0.000 0.565 278 P HA 0.054 nan 4.420 nan 0.000 0.249 278 P C 0.034 176.995 177.300 -0.565 0.000 1.229 278 P CA 0.634 63.065 63.100 -1.115 0.000 0.788 278 P CB 0.166 31.353 31.700 -0.856 0.000 1.072 279 R N 1.112 121.470 120.500 -0.236 0.000 2.265 279 R HA 0.317 4.656 4.340 -0.001 0.000 0.314 279 R C 0.555 176.828 176.300 -0.046 0.000 1.053 279 R CA -0.507 55.514 56.100 -0.131 0.000 0.931 279 R CB 1.115 31.366 30.300 -0.081 0.000 1.024 279 R HN 0.107 nan 8.270 nan 0.000 0.457 280 R N 1.278 121.751 120.500 -0.046 0.000 2.594 280 R HA 0.142 4.482 4.340 -0.001 0.000 0.272 280 R C -0.296 176.027 176.300 0.039 0.000 1.074 280 R CA -0.283 55.826 56.100 0.015 0.000 1.105 280 R CB 0.691 30.994 30.300 0.004 0.000 1.008 280 R HN 0.246 nan 8.270 nan 0.000 0.472 281 V N 2.301 122.264 119.914 0.082 0.000 2.318 281 V HA 0.031 4.151 4.120 -0.001 0.000 0.271 281 V C 0.525 176.658 176.094 0.066 0.000 1.030 281 V CA -0.362 61.995 62.300 0.095 0.000 0.844 281 V CB 1.223 33.156 31.823 0.184 0.000 1.015 281 V HN 0.802 nan 8.190 nan 0.000 0.460 282 S N 4.493 120.218 115.700 0.041 0.000 2.575 282 S HA 0.310 4.780 4.470 -0.001 0.000 0.295 282 S C 1.420 176.045 174.600 0.042 0.000 1.267 282 S CA 0.942 59.162 58.200 0.034 0.000 1.074 282 S CB -0.065 63.147 63.200 0.019 0.000 0.829 282 S HN 1.941 nan 8.310 nan 0.000 0.497 283 G N 3.308 112.132 108.800 0.040 0.000 2.148 283 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.254 283 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.254 283 G C 0.950 175.877 174.900 0.044 0.000 0.981 283 G CA 0.513 45.636 45.100 0.039 0.000 0.670 283 G HN 1.400 nan 8.290 nan 0.000 0.528 284 A N -0.773 122.078 122.820 0.051 0.000 1.908 284 A HA 0.554 4.873 4.320 -0.001 0.000 0.218 284 A C 1.644 179.250 177.584 0.037 0.000 1.181 284 A CA 2.543 54.611 52.037 0.052 0.000 0.627 284 A CB -0.164 18.872 19.000 0.062 0.000 0.818 284 A HN 2.342 nan 8.150 nan 0.000 0.445 285 A N -2.684 120.157 122.820 0.034 0.000 2.583 285 A HA 0.721 5.040 4.320 -0.001 0.000 0.289 285 A C -0.141 177.460 177.584 0.028 0.000 1.151 285 A CA -0.132 51.921 52.037 0.026 0.000 0.695 285 A CB 0.207 19.219 19.000 0.019 0.000 1.290 285 A HN 1.436 nan 8.150 nan 0.000 0.419 286 A N -0.006 122.829 122.820 0.024 0.000 2.388 286 A HA 0.663 4.982 4.320 -0.001 0.000 0.257 286 A C 0.612 178.209 177.584 0.022 0.000 1.095 286 A CA 0.392 52.442 52.037 0.021 0.000 0.791 286 A CB -0.067 18.942 19.000 0.016 0.000 1.029 286 A HN 2.291 nan 8.150 nan 0.000 0.489 287 A N 0.920 123.752 122.820 0.019 0.000 2.271 287 A HA 0.499 4.819 4.320 -0.001 0.000 0.288 287 A C 0.392 177.954 177.584 -0.037 0.000 1.094 287 A CA -0.370 51.677 52.037 0.017 0.000 0.828 287 A CB -0.041 18.980 19.000 0.036 0.000 1.091 287 A HN 1.005 nan 8.150 nan 0.000 0.493 288 C N 1.664 120.924 119.300 -0.066 0.000 2.538 288 C HA 0.170 4.630 4.460 -0.001 0.000 0.408 288 C C 0.481 175.173 174.990 -0.497 0.000 1.421 288 C CA 0.326 59.185 59.018 -0.265 0.000 1.642 288 C CB -1.124 26.467 27.740 -0.248 0.000 2.553 288 C HN 0.770 nan 8.230 nan 0.000 0.604 289 D N 1.419 121.514 120.400 -0.509 0.000 2.308 289 D HA 0.351 4.991 4.640 -0.001 0.000 0.242 289 D C -0.559 175.421 176.300 -0.532 0.000 1.059 289 D CA -0.426 53.338 54.000 -0.393 0.000 0.830 289 D CB 0.718 41.461 40.800 -0.094 0.000 1.161 289 D HN 0.505 nan 8.370 nan 0.000 0.494 290 F N 2.219 122.083 119.950 -0.142 0.000 2.925 290 F HA 0.230 4.758 4.527 0.002 0.000 0.302 290 F C 1.369 177.042 175.800 -0.212 0.000 1.189 290 F CA -0.356 57.547 58.000 -0.162 0.000 1.346 290 F CB 0.329 39.226 39.000 -0.171 0.000 0.954 290 F HN 0.474 nan 8.300 nan 0.000 0.506 291 H N -1.719 117.414 119.070 0.104 0.000 2.595 291 H HA 0.089 4.645 4.556 -0.000 0.000 0.265 291 H C 1.119 176.478 175.328 0.051 0.000 0.953 291 H CA 0.528 56.619 56.048 0.072 0.000 1.197 291 H CB 0.681 30.470 29.762 0.046 0.000 1.438 291 H HN 0.110 nan 8.280 nan 0.000 0.531 292 T N 0.006 114.645 114.554 0.142 0.000 2.887 292 T HA 0.637 4.986 4.350 -0.001 0.000 0.288 292 T C -0.397 174.345 174.700 0.070 0.000 1.021 292 T CA -0.793 61.361 62.100 0.090 0.000 1.000 292 T CB 1.068 69.977 68.868 0.069 0.000 1.034 292 T HN 0.264 nan 8.240 nan 0.000 0.467 293 A N 3.228 126.078 122.820 0.051 0.000 2.511 293 A HA 0.588 4.908 4.320 -0.001 0.000 0.242 293 A C 0.609 178.211 177.584 0.031 0.000 1.069 293 A CA 0.130 52.187 52.037 0.033 0.000 0.763 293 A CB -0.408 18.604 19.000 0.019 0.000 1.001 293 A HN 1.400 nan 8.150 nan 0.000 0.498 294 S N 0.724 116.432 115.700 0.014 0.000 2.671 294 S HA 0.851 5.320 4.470 -0.001 0.000 0.277 294 S C -0.590 173.990 174.600 -0.033 0.000 1.165 294 S CA -0.015 58.197 58.200 0.022 0.000 0.822 294 S CB 1.476 64.723 63.200 0.078 0.000 1.150 294 S HN 1.962 nan 8.310 nan 0.000 0.479 295 S N 0.071 115.785 115.700 0.022 0.000 2.541 295 S HA 0.738 5.208 4.470 -0.001 0.000 0.280 295 S C -1.881 172.844 174.600 0.209 0.000 1.112 295 S CA -0.726 57.480 58.200 0.011 0.000 0.925 295 S CB 0.725 63.941 63.200 0.026 0.000 1.067 295 S HN 0.744 nan 8.310 nan 0.000 0.479 296 W N 1.833 123.139 121.300 0.009 0.000 2.294 296 W HA 0.501 5.161 4.660 -0.000 0.000 0.314 296 W C 0.040 176.410 176.519 -0.249 0.000 1.044 296 W CA -1.149 56.166 57.345 -0.049 0.000 1.284 296 W CB 0.144 29.595 29.460 -0.015 0.000 1.231 296 W HN 0.751 nan 8.180 nan 0.000 0.419 297 E N 2.044 122.194 120.200 -0.083 0.000 2.231 297 E HA 0.584 4.934 4.350 -0.001 0.000 0.277 297 E C -1.122 175.235 176.600 -0.404 0.000 0.999 297 E CA -0.651 55.663 56.400 -0.144 0.000 0.827 297 E CB 1.471 31.150 29.700 -0.034 0.000 1.101 297 E HN 0.064 nan 8.360 nan 0.000 0.393 298 F N 1.249 121.299 119.950 0.166 0.000 2.551 298 F HA 0.358 4.884 4.527 -0.001 0.000 0.316 298 F C 0.026 175.877 175.800 0.085 0.000 1.089 298 F CA -0.823 57.251 58.000 0.122 0.000 0.915 298 F CB 1.837 40.881 39.000 0.072 0.000 1.186 298 F HN 0.373 nan 8.300 nan 0.000 0.456 299 E N 1.879 122.228 120.200 0.248 0.000 2.392 299 E HA 0.522 4.872 4.350 -0.001 0.000 0.279 299 E C -3.305 173.374 176.600 0.131 0.000 0.964 299 E CA -2.369 54.126 56.400 0.158 0.000 0.777 299 E CB 2.654 32.422 29.700 0.113 0.000 1.249 299 E HN 0.149 nan 8.360 nan 0.000 0.449 300 P HA 0.103 nan 4.420 nan 0.000 0.272 300 P C -0.717 176.635 177.300 0.088 0.000 1.240 300 P CA -0.624 62.530 63.100 0.090 0.000 0.791 300 P CB 0.691 32.439 31.700 0.080 0.000 0.978 301 L N 1.481 122.753 121.223 0.082 0.000 2.289 301 L HA 0.354 4.694 4.340 -0.001 0.000 0.285 301 L C -0.075 176.883 176.870 0.146 0.000 1.049 301 L CA -0.314 54.581 54.840 0.092 0.000 0.804 301 L CB 0.385 42.480 42.059 0.060 0.000 1.195 301 L HN 0.183 nan 8.230 nan 0.000 0.428 302 D N 2.487 123.020 120.400 0.222 0.000 2.359 302 D HA 0.033 4.673 4.640 -0.001 0.000 0.250 302 D C 1.185 177.622 176.300 0.228 0.000 1.264 302 D CA 0.431 54.557 54.000 0.209 0.000 0.911 302 D CB 1.061 41.987 40.800 0.210 0.000 1.056 302 D HN 0.753 nan 8.370 nan 0.000 0.499 303 T N 0.284 114.929 114.554 0.151 0.000 3.051 303 T HA -0.117 4.233 4.350 -0.001 0.000 0.269 303 T C 1.083 175.836 174.700 0.088 0.000 1.127 303 T CA 0.556 62.734 62.100 0.131 0.000 1.107 303 T CB 0.149 69.072 68.868 0.091 0.000 0.898 303 T HN 0.186 nan 8.240 nan 0.000 0.517 304 D N 1.036 121.474 120.400 0.064 0.000 2.149 304 D HA 0.021 4.660 4.640 -0.001 0.000 0.201 304 D C 2.191 178.475 176.300 -0.027 0.000 0.972 304 D CA 0.705 54.716 54.000 0.019 0.000 0.835 304 D CB -0.017 40.792 40.800 0.015 0.000 0.966 304 D HN 0.363 nan 8.370 nan 0.000 0.476 305 V N -0.270 119.621 119.914 -0.039 0.000 2.599 305 V HA -0.024 4.095 4.120 -0.001 0.000 0.245 305 V C 0.553 176.373 176.094 -0.456 0.000 1.046 305 V CA 0.814 62.970 62.300 -0.240 0.000 1.065 305 V CB -0.095 31.588 31.823 -0.234 0.000 0.703 305 V HN 0.014 nan 8.190 nan 0.000 0.464 306 F N 1.466 121.450 119.950 0.057 0.000 2.449 306 F HA 0.406 4.932 4.527 -0.001 0.000 0.344 306 F C -1.817 174.005 175.800 0.037 0.000 1.180 306 F CA -1.750 56.281 58.000 0.052 0.000 1.209 306 F CB 1.135 40.179 39.000 0.072 0.000 1.440 306 F HN 0.081 nan 8.300 nan 0.000 0.526 307 P HA 0.055 nan 4.420 nan 0.000 0.249 307 P C 1.309 178.673 177.300 0.107 0.000 1.229 307 P CA 0.445 63.599 63.100 0.090 0.000 0.788 307 P CB 0.374 32.096 31.700 0.036 0.000 1.072 308 A N 0.367 123.270 122.820 0.138 0.000 1.978 308 A HA -0.127 4.192 4.320 -0.001 0.000 0.220 308 A C 2.208 179.906 177.584 0.190 0.000 1.170 308 A CA 1.762 53.904 52.037 0.175 0.000 0.636 308 A CB -1.481 17.614 19.000 0.159 0.000 0.810 308 A HN 0.110 nan 8.150 nan 0.000 0.448 309 V N 0.101 120.091 119.914 0.127 0.000 2.379 309 V HA -0.149 3.971 4.120 -0.001 0.000 0.245 309 V C 2.436 178.542 176.094 0.019 0.000 1.044 309 V CA 1.787 64.130 62.300 0.071 0.000 1.036 309 V CB -0.698 31.168 31.823 0.072 0.000 0.664 309 V HN 0.496 nan 8.190 nan 0.000 0.453 310 E N 0.411 120.633 120.200 0.036 0.000 2.118 310 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 310 E C 2.228 178.810 176.600 -0.029 0.000 0.992 310 E CA 1.096 57.498 56.400 0.004 0.000 0.804 310 E CB -0.400 29.315 29.700 0.024 0.000 0.741 310 E HN 0.481 nan 8.360 nan 0.000 0.458 311 L N 0.317 121.554 121.223 0.023 0.000 2.093 311 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 311 L C 2.435 179.222 176.870 -0.139 0.000 1.085 311 L CA 1.018 55.887 54.840 0.048 0.000 0.755 311 L CB -0.446 41.751 42.059 0.231 0.000 0.904 311 L HN 0.082 nan 8.230 nan 0.000 0.435 312 A N -0.013 122.619 122.820 -0.314 0.000 1.898 312 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 312 A C 2.337 179.576 177.584 -0.576 0.000 1.181 312 A CA 1.185 52.770 52.037 -0.753 0.000 0.620 312 A CB -0.400 18.254 19.000 -0.577 0.000 0.819 312 A HN 0.304 nan 8.150 nan 0.000 0.442 313 R N -0.505 119.740 120.500 -0.424 0.000 2.083 313 R HA -0.180 4.160 4.340 -0.001 0.000 0.237 313 R C 2.484 178.433 176.300 -0.585 0.000 1.137 313 R CA 1.784 57.525 56.100 -0.599 0.000 0.951 313 R CB -0.433 29.724 30.300 -0.238 0.000 0.851 313 R HN 0.701 nan 8.270 nan 0.000 0.434 314 Q N 0.184 119.792 119.800 -0.321 0.000 2.030 314 Q HA -0.167 4.173 4.340 -0.001 0.000 0.204 314 Q C 2.277 178.131 176.000 -0.243 0.000 0.986 314 Q CA 1.813 57.486 55.803 -0.217 0.000 0.843 314 Q CB -0.275 28.405 28.738 -0.097 0.000 0.904 314 Q HN 0.374 nan 8.270 nan 0.000 0.420 315 A N 0.987 123.651 122.820 -0.260 0.000 1.883 315 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 315 A C 2.319 179.731 177.584 -0.286 0.000 1.186 315 A CA 1.830 53.739 52.037 -0.213 0.000 0.624 315 A CB -1.355 17.514 19.000 -0.218 0.000 0.822 315 A HN 0.508 nan 8.150 nan 0.000 0.444 316 G N -0.827 107.650 108.800 -0.538 0.000 2.418 316 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.217 316 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.217 316 G C 1.492 176.138 174.900 -0.424 0.000 1.158 316 G CA 1.190 45.931 45.100 -0.597 0.000 0.771 316 G HN 0.333 nan 8.290 nan 0.000 0.545 317 V N 1.489 121.087 119.914 -0.527 0.000 2.427 317 V HA -0.102 4.017 4.120 -0.001 0.000 0.248 317 V C 3.301 179.335 176.094 -0.099 0.000 1.051 317 V CA 1.890 64.065 62.300 -0.208 0.000 1.048 317 V CB -0.728 30.988 31.823 -0.179 0.000 0.666 317 V HN 0.463 nan 8.190 nan 0.000 0.456 318 A N -0.814 121.939 122.820 -0.112 0.000 1.933 318 A HA 0.273 4.592 4.320 -0.001 0.000 0.218 318 A C 1.673 179.240 177.584 -0.028 0.000 1.175 318 A CA 1.625 53.628 52.037 -0.057 0.000 0.628 318 A CB -0.876 18.094 19.000 -0.051 0.000 0.814 318 A HN 1.199 nan 8.150 nan 0.000 0.444 319 G N -2.823 105.960 108.800 -0.028 0.000 2.642 319 G HA2 0.277 4.237 3.960 -0.001 0.000 0.231 319 G HA3 0.277 4.237 3.960 -0.001 0.000 0.231 319 G C 1.222 176.137 174.900 0.025 0.000 1.338 319 G CA 0.547 45.656 45.100 0.015 0.000 0.883 319 G HN 2.293 nan 8.290 nan 0.000 0.570 320 G N -1.880 106.943 108.800 0.038 0.000 2.629 320 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.313 320 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.313 320 G C 1.387 176.320 174.900 0.055 0.000 1.217 320 G CA 1.860 46.987 45.100 0.046 0.000 0.994 320 G HN 2.186 nan 8.290 nan 0.000 0.549 321 C N 1.530 120.882 119.300 0.086 0.000 2.754 321 C HA 0.398 4.857 4.460 -0.001 0.000 0.276 321 C C 2.773 177.797 174.990 0.057 0.000 1.264 321 C CA 0.686 59.747 59.018 0.072 0.000 1.700 321 C CB -1.103 26.706 27.740 0.114 0.000 1.885 321 C HN 0.513 nan 8.230 nan 0.000 0.607 322 M N 1.753 121.392 119.600 0.064 0.000 2.159 322 M HA -0.097 4.382 4.480 -0.001 0.000 0.263 322 M C 2.437 178.769 176.300 0.054 0.000 1.063 322 M CA 2.063 57.397 55.300 0.058 0.000 1.110 322 M CB -1.789 30.826 32.600 0.025 0.000 1.374 322 M HN 0.652 nan 8.290 nan 0.000 0.411 323 T N -1.405 113.166 114.554 0.029 0.000 2.904 323 T HA 0.078 4.427 4.350 -0.001 0.000 0.267 323 T C 1.960 176.714 174.700 0.091 0.000 1.059 323 T CA 1.169 63.295 62.100 0.044 0.000 1.137 323 T CB -0.531 68.339 68.868 0.003 0.000 0.879 323 T HN 0.301 nan 8.240 nan 0.000 0.467 324 A N 1.325 124.167 122.820 0.037 0.000 1.908 324 A HA 0.018 4.338 4.320 -0.001 0.000 0.218 324 A C 2.616 180.200 177.584 0.001 0.000 1.181 324 A CA 1.764 53.802 52.037 0.001 0.000 0.627 324 A CB -1.185 17.780 19.000 -0.058 0.000 0.818 324 A HN 0.423 nan 8.150 nan 0.000 0.445 325 V N -1.492 118.426 119.914 0.007 0.000 2.295 325 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 325 V C 2.315 178.472 176.094 0.105 0.000 1.049 325 V CA 2.075 64.400 62.300 0.040 0.000 1.024 325 V CB -1.111 30.757 31.823 0.075 0.000 0.648 325 V HN 0.710 nan 8.190 nan 0.000 0.447 326 Y N 1.893 122.198 120.300 0.009 0.000 2.069 326 Y HA -0.367 4.183 4.550 -0.001 0.000 0.278 326 Y C 2.535 178.434 175.900 -0.003 0.000 1.175 326 Y CA 2.562 60.665 58.100 0.005 0.000 1.134 326 Y CB -0.412 38.044 38.460 -0.007 0.000 0.965 326 Y HN 0.382 nan 8.280 nan 0.000 0.498 327 N N 0.029 118.797 118.700 0.113 0.000 2.142 327 N HA -0.129 4.611 4.740 -0.001 0.000 0.186 327 N C 1.810 177.286 175.510 -0.056 0.000 1.023 327 N CA 1.515 54.573 53.050 0.013 0.000 0.852 327 N CB -0.540 38.001 38.487 0.089 0.000 0.998 327 N HN 0.470 nan 8.380 nan 0.000 0.424 328 A N 0.242 123.040 122.820 -0.036 0.000 1.930 328 A HA 0.125 4.444 4.320 -0.001 0.000 0.217 328 A C 2.316 179.860 177.584 -0.067 0.000 1.175 328 A CA 1.673 53.681 52.037 -0.049 0.000 0.627 328 A CB -1.155 17.817 19.000 -0.047 0.000 0.815 328 A HN 0.414 nan 8.150 nan 0.000 0.443 329 A N 0.465 123.241 122.820 -0.073 0.000 1.902 329 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 329 A C 1.960 179.465 177.584 -0.133 0.000 1.181 329 A CA 2.175 54.157 52.037 -0.091 0.000 0.623 329 A CB -0.801 18.156 19.000 -0.072 0.000 0.818 329 A HN 0.650 nan 8.150 nan 0.000 0.443 330 N N -0.220 118.360 118.700 -0.199 0.000 2.084 330 N HA -0.182 4.558 4.740 -0.001 0.000 0.190 330 N C 1.684 177.127 175.510 -0.111 0.000 1.030 330 N CA 1.808 54.737 53.050 -0.202 0.000 0.849 330 N CB -0.218 38.101 38.487 -0.281 0.000 1.012 330 N HN 0.431 nan 8.380 nan 0.000 0.423 331 E N 0.146 120.296 120.200 -0.084 0.000 2.097 331 E HA -0.241 4.109 4.350 -0.001 0.000 0.196 331 E C 1.748 178.324 176.600 -0.039 0.000 1.000 331 E CA 1.169 57.539 56.400 -0.048 0.000 0.804 331 E CB -0.306 29.369 29.700 -0.041 0.000 0.740 331 E HN 0.520 nan 8.360 nan 0.000 0.454 332 E N 0.667 120.836 120.200 -0.051 0.000 2.046 332 E HA -0.060 4.290 4.350 -0.001 0.000 0.190 332 E C 1.897 178.478 176.600 -0.033 0.000 0.982 332 E CA 1.387 57.761 56.400 -0.044 0.000 0.800 332 E CB -0.313 29.352 29.700 -0.058 0.000 0.756 332 E HN 0.181 nan 8.360 nan 0.000 0.449 333 A N 0.832 123.623 122.820 -0.048 0.000 1.902 333 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 333 A C 2.435 180.027 177.584 0.013 0.000 1.181 333 A CA 2.121 54.135 52.037 -0.037 0.000 0.623 333 A CB -1.050 17.900 19.000 -0.083 0.000 0.818 333 A HN 0.366 nan 8.150 nan 0.000 0.443 334 A N -0.105 122.718 122.820 0.005 0.000 1.908 334 A HA 0.125 4.445 4.320 -0.001 0.000 0.218 334 A C 2.502 180.161 177.584 0.123 0.000 1.181 334 A CA 2.208 54.292 52.037 0.079 0.000 0.627 334 A CB -1.006 18.017 19.000 0.038 0.000 0.818 334 A HN 1.064 nan 8.150 nan 0.000 0.445 335 A N -0.243 122.608 122.820 0.052 0.000 1.898 335 A HA 0.199 4.519 4.320 -0.001 0.000 0.216 335 A C 2.495 180.094 177.584 0.025 0.000 1.181 335 A CA 1.952 54.006 52.037 0.028 0.000 0.620 335 A CB -0.992 18.009 19.000 0.002 0.000 0.819 335 A HN 1.077 nan 8.150 nan 0.000 0.442 336 A N -1.030 121.812 122.820 0.037 0.000 1.940 336 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 336 A C 2.018 179.651 177.584 0.080 0.000 1.176 336 A CA 1.691 53.751 52.037 0.038 0.000 0.631 336 A CB -0.698 18.320 19.000 0.030 0.000 0.814 336 A HN 0.756 nan 8.150 nan 0.000 0.446 337 F N 0.672 120.619 119.950 -0.005 0.000 2.113 337 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 337 F C 1.773 177.596 175.800 0.040 0.000 1.103 337 F CA 1.554 59.569 58.000 0.025 0.000 1.248 337 F CB -0.422 38.603 39.000 0.043 0.000 0.999 337 F HN 0.127 nan 8.300 nan 0.000 0.475 338 L N 0.131 121.204 121.223 -0.250 0.000 2.191 338 L HA -0.118 4.221 4.340 -0.001 0.000 0.212 338 L C 2.463 179.192 176.870 -0.234 0.000 1.103 338 L CA 1.059 55.704 54.840 -0.324 0.000 0.769 338 L CB -1.049 40.944 42.059 -0.110 0.000 0.908 338 L HN 0.273 nan 8.230 nan 0.000 0.438 339 A N -0.529 122.207 122.820 -0.141 0.000 2.251 339 A HA 0.347 4.667 4.320 -0.001 0.000 0.209 339 A C 1.752 179.283 177.584 -0.089 0.000 1.187 339 A CA 0.610 52.592 52.037 -0.092 0.000 0.823 339 A CB -0.351 18.620 19.000 -0.049 0.000 0.846 339 A HN 0.485 nan 8.150 nan 0.000 0.486 340 G N -0.420 108.303 108.800 -0.129 0.000 2.148 340 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.254 340 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.254 340 G C 1.016 175.911 174.900 -0.008 0.000 0.981 340 G CA 0.707 45.762 45.100 -0.075 0.000 0.670 340 G HN 0.548 nan 8.290 nan 0.000 0.528 341 R N -0.319 120.183 120.500 0.004 0.000 2.153 341 R HA 0.314 4.654 4.340 -0.001 0.000 0.218 341 R C 1.649 177.977 176.300 0.047 0.000 1.072 341 R CA 1.469 57.580 56.100 0.019 0.000 0.990 341 R CB -0.016 30.289 30.300 0.009 0.000 0.889 341 R HN 0.786 nan 8.270 nan 0.000 0.452 342 I N -4.364 116.263 120.570 0.095 0.000 3.145 342 I HA 0.607 4.776 4.170 -0.001 0.000 0.313 342 I C 0.010 176.268 176.117 0.236 0.000 1.122 342 I CA -1.403 59.969 61.300 0.120 0.000 0.987 342 I CB 1.789 39.839 38.000 0.082 0.000 1.236 342 I HN -0.158 nan 8.210 nan 0.000 0.453 343 G N 0.506 109.412 108.800 0.177 0.000 2.528 343 G HA2 0.282 4.241 3.960 -0.001 0.000 0.289 343 G HA3 0.282 4.241 3.960 -0.001 0.000 0.289 343 G C -0.119 174.837 174.900 0.094 0.000 1.192 343 G CA -0.470 44.766 45.100 0.226 0.000 0.921 343 G HN 0.755 nan 8.290 nan 0.000 0.512 344 F N 1.604 121.411 119.950 -0.239 0.000 2.069 344 F HA -0.015 4.511 4.527 -0.001 0.000 0.298 344 F C 0.050 175.617 175.800 -0.388 0.000 1.113 344 F CA 1.692 59.269 58.000 -0.705 0.000 1.214 344 F CB -0.525 38.067 39.000 -0.680 0.000 0.978 344 F HN 0.295 nan 8.300 nan 0.000 0.474 345 P HA -0.104 nan 4.420 nan 0.000 0.222 345 P C 1.157 178.312 177.300 -0.242 0.000 1.147 345 P CA 1.801 64.758 63.100 -0.239 0.000 0.790 345 P CB -0.369 31.259 31.700 -0.119 0.000 0.780 346 A N -1.118 121.587 122.820 -0.192 0.000 2.167 346 A HA -0.051 4.269 4.320 -0.001 0.000 0.214 346 A C 2.016 179.499 177.584 -0.169 0.000 1.151 346 A CA 0.562 52.517 52.037 -0.137 0.000 0.735 346 A CB -1.331 17.630 19.000 -0.064 0.000 0.802 346 A HN 0.119 nan 8.150 nan 0.000 0.467 347 I N -0.611 119.792 120.570 -0.279 0.000 2.099 347 I HA -0.230 3.940 4.170 -0.001 0.000 0.239 347 I C 2.226 178.207 176.117 -0.228 0.000 1.066 347 I CA 1.425 62.563 61.300 -0.269 0.000 1.324 347 I CB -0.358 37.394 38.000 -0.414 0.000 1.037 347 I HN 0.149 nan 8.210 nan 0.000 0.401 348 V N 0.911 120.673 119.914 -0.254 0.000 2.667 348 V HA -0.106 4.013 4.120 -0.001 0.000 0.252 348 V C 2.502 178.526 176.094 -0.116 0.000 1.065 348 V CA 1.745 63.941 62.300 -0.173 0.000 1.083 348 V CB -1.149 30.586 31.823 -0.146 0.000 0.692 348 V HN 0.580 nan 8.190 nan 0.000 0.468 349 G N 0.327 109.053 108.800 -0.123 0.000 2.446 349 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 349 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 349 G C 1.578 176.440 174.900 -0.064 0.000 1.168 349 G CA 1.082 46.132 45.100 -0.084 0.000 0.771 349 G HN 0.485 nan 8.290 nan 0.000 0.551 350 I N 0.577 121.101 120.570 -0.076 0.000 2.226 350 I HA -0.119 4.050 4.170 -0.001 0.000 0.245 350 I C 2.650 178.737 176.117 -0.050 0.000 1.100 350 I CA 0.652 61.916 61.300 -0.060 0.000 1.374 350 I CB -0.167 37.793 38.000 -0.067 0.000 1.057 350 I HN 0.154 nan 8.210 nan 0.000 0.413 351 I N 0.735 121.256 120.570 -0.082 0.000 2.151 351 I HA -0.359 3.810 4.170 -0.001 0.000 0.243 351 I C 2.777 178.902 176.117 0.014 0.000 1.080 351 I CA 1.598 62.851 61.300 -0.079 0.000 1.339 351 I CB -0.580 37.306 38.000 -0.191 0.000 1.039 351 I HN 0.212 nan 8.210 nan 0.000 0.409 352 A N 0.474 123.304 122.820 0.016 0.000 1.902 352 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 352 A C 1.952 179.586 177.584 0.084 0.000 1.181 352 A CA 2.186 54.256 52.037 0.054 0.000 0.623 352 A CB -0.634 18.377 19.000 0.019 0.000 0.818 352 A HN 0.365 nan 8.150 nan 0.000 0.443 353 D N -0.252 120.181 120.400 0.054 0.000 2.097 353 D HA -0.104 4.535 4.640 -0.001 0.000 0.195 353 D C 2.094 178.477 176.300 0.139 0.000 0.989 353 D CA 1.512 55.561 54.000 0.081 0.000 0.827 353 D CB -0.542 40.277 40.800 0.031 0.000 0.966 353 D HN 0.226 nan 8.370 nan 0.000 0.456 354 V N 0.998 120.976 119.914 0.107 0.000 2.295 354 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 354 V C 2.685 178.953 176.094 0.290 0.000 1.049 354 V CA 1.090 63.488 62.300 0.164 0.000 1.024 354 V CB -0.497 31.378 31.823 0.087 0.000 0.648 354 V HN 0.198 nan 8.190 nan 0.000 0.447 355 L N -0.407 120.950 121.223 0.222 0.000 2.042 355 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 355 L C 2.639 179.630 176.870 0.202 0.000 1.076 355 L CA 2.127 57.096 54.840 0.214 0.000 0.749 355 L CB -0.697 41.470 42.059 0.180 0.000 0.893 355 L HN 0.494 nan 8.230 nan 0.000 0.432 356 H N -0.179 118.960 119.070 0.115 0.000 2.457 356 H HA -0.127 4.428 4.556 -0.001 0.000 0.297 356 H C 1.820 177.216 175.328 0.114 0.000 1.092 356 H CA 1.429 57.530 56.048 0.088 0.000 1.309 356 H CB 0.192 29.993 29.762 0.064 0.000 1.382 356 H HN 0.313 nan 8.280 nan 0.000 0.535 357 A N -0.596 122.308 122.820 0.140 0.000 2.275 357 A HA 0.494 4.814 4.320 -0.001 0.000 0.212 357 A C 1.866 179.582 177.584 0.220 0.000 1.201 357 A CA 0.474 52.615 52.037 0.175 0.000 0.843 357 A CB -0.293 18.909 19.000 0.337 0.000 0.873 357 A HN 0.494 nan 8.150 nan 0.000 0.492 358 A N -0.632 122.263 122.820 0.124 0.000 2.465 358 A HA 0.260 4.580 4.320 -0.001 0.000 0.255 358 A C 0.839 178.328 177.584 -0.157 0.000 1.274 358 A CA 0.276 52.273 52.037 -0.067 0.000 0.920 358 A CB -0.141 18.939 19.000 0.133 0.000 1.033 358 A HN 0.237 nan 8.150 nan 0.000 0.516 359 D N 0.932 121.240 120.400 -0.152 0.000 2.265 359 D HA -0.223 4.416 4.640 -0.001 0.000 0.208 359 D C 2.212 178.368 176.300 -0.240 0.000 0.977 359 D CA 1.561 55.469 54.000 -0.153 0.000 0.871 359 D CB -0.129 40.591 40.800 -0.133 0.000 0.925 359 D HN 0.867 nan 8.370 nan 0.000 0.485 360 Q N -0.602 118.948 119.800 -0.417 0.000 2.291 360 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 360 Q C 1.303 176.875 176.000 -0.714 0.000 0.976 360 Q CA 0.977 56.413 55.803 -0.612 0.000 0.875 360 Q CB -0.671 27.555 28.738 -0.853 0.000 0.927 360 Q HN 0.411 nan 8.270 nan 0.000 0.450 361 W N 0.276 121.390 121.300 -0.309 0.000 3.256 361 W HA 0.403 5.063 4.660 -0.001 0.000 0.269 361 W C 1.985 178.418 176.519 -0.144 0.000 1.310 361 W CA -0.021 57.181 57.345 -0.239 0.000 1.673 361 W CB 0.312 29.602 29.460 -0.284 0.000 1.115 361 W HN 0.246 nan 8.180 nan 0.000 0.686 362 A N 0.094 122.911 122.820 -0.004 0.000 2.168 362 A HA 0.021 4.341 4.320 -0.001 0.000 0.215 362 A C 0.960 178.542 177.584 -0.004 0.000 1.152 362 A CA 0.471 52.506 52.037 -0.003 0.000 0.716 362 A CB -0.682 18.296 19.000 -0.037 0.000 0.794 362 A HN -0.036 nan 8.150 nan 0.000 0.465 363 V N 2.075 121.974 119.914 -0.024 0.000 2.673 363 V HA 0.008 4.128 4.120 -0.001 0.000 0.303 363 V C 0.346 176.457 176.094 0.029 0.000 1.046 363 V CA -0.475 61.814 62.300 -0.018 0.000 1.126 363 V CB 0.305 32.094 31.823 -0.057 0.000 0.934 363 V HN 0.442 nan 8.190 nan 0.000 0.487 364 E N 5.756 125.968 120.200 0.019 0.000 2.414 364 E HA 0.147 4.496 4.350 -0.001 0.000 0.263 364 E C -2.135 174.488 176.600 0.038 0.000 1.000 364 E CA -1.380 55.038 56.400 0.029 0.000 0.914 364 E CB 0.255 29.965 29.700 0.017 0.000 0.948 364 E HN 0.503 nan 8.360 nan 0.000 0.444 365 P HA 0.069 nan 4.420 nan 0.000 0.271 365 P C -0.227 177.090 177.300 0.028 0.000 1.216 365 P CA -0.013 63.117 63.100 0.049 0.000 0.771 365 P CB 1.119 32.843 31.700 0.041 0.000 0.864 366 A N 3.066 125.902 122.820 0.028 0.000 1.997 366 A HA 0.169 4.488 4.320 -0.001 0.000 0.212 366 A C 1.065 178.658 177.584 0.014 0.000 1.178 366 A CA 1.420 53.466 52.037 0.016 0.000 0.698 366 A CB -0.473 18.536 19.000 0.014 0.000 0.842 366 A HN 0.670 nan 8.150 nan 0.000 0.458 367 T N -5.757 108.809 114.554 0.019 0.000 2.865 367 T HA 0.446 4.796 4.350 -0.001 0.000 0.294 367 T C 0.731 175.438 174.700 0.012 0.000 1.119 367 T CA 0.110 62.218 62.100 0.014 0.000 1.007 367 T CB 1.205 70.082 68.868 0.015 0.000 1.225 367 T HN 0.004 nan 8.240 nan 0.000 0.515 368 V N 1.162 121.079 119.914 0.004 0.000 2.392 368 V HA -0.137 3.982 4.120 -0.001 0.000 0.249 368 V C 2.329 178.424 176.094 0.002 0.000 1.059 368 V CA 2.172 64.471 62.300 -0.002 0.000 1.051 368 V CB -0.740 31.078 31.823 -0.007 0.000 0.658 368 V HN 0.883 nan 8.190 nan 0.000 0.455 369 D N -0.193 120.214 120.400 0.011 0.000 2.144 369 D HA -0.153 4.487 4.640 -0.001 0.000 0.199 369 D C 1.875 178.195 176.300 0.033 0.000 0.984 369 D CA 1.242 55.254 54.000 0.019 0.000 0.834 369 D CB -0.225 40.591 40.800 0.025 0.000 0.955 369 D HN 0.443 nan 8.370 nan 0.000 0.465 370 D N 0.390 120.819 120.400 0.049 0.000 2.104 370 D HA -0.114 4.525 4.640 -0.001 0.000 0.194 370 D C 2.355 178.677 176.300 0.037 0.000 0.994 370 D CA 0.514 54.570 54.000 0.092 0.000 0.830 370 D CB -0.263 40.596 40.800 0.099 0.000 0.959 370 D HN 0.087 nan 8.370 nan 0.000 0.452 371 V N 1.204 121.116 119.914 -0.004 0.000 2.287 371 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 371 V C 2.702 178.733 176.094 -0.106 0.000 1.053 371 V CA 1.212 63.479 62.300 -0.056 0.000 1.027 371 V CB -0.560 31.243 31.823 -0.033 0.000 0.646 371 V HN 0.181 nan 8.190 nan 0.000 0.447 372 L N -0.152 121.032 121.223 -0.065 0.000 2.046 372 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 372 L C 2.415 179.229 176.870 -0.093 0.000 1.077 372 L CA 1.572 56.373 54.840 -0.066 0.000 0.747 372 L CB -0.800 41.241 42.059 -0.029 0.000 0.896 372 L HN 0.332 nan 8.230 nan 0.000 0.432 373 D N 0.303 120.657 120.400 -0.076 0.000 2.117 373 D HA -0.175 4.465 4.640 -0.001 0.000 0.197 373 D C 2.243 178.286 176.300 -0.429 0.000 0.987 373 D CA 1.530 55.489 54.000 -0.067 0.000 0.829 373 D CB -0.129 40.754 40.800 0.138 0.000 0.961 373 D HN 0.325 nan 8.370 nan 0.000 0.460 374 A N 0.793 123.115 122.820 -0.830 0.000 1.902 374 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 374 A C 2.143 179.334 177.584 -0.656 0.000 1.181 374 A CA 1.601 52.759 52.037 -1.465 0.000 0.623 374 A CB -0.663 17.732 19.000 -1.009 0.000 0.818 374 A HN 0.232 nan 8.150 nan 0.000 0.443 375 Q N -1.119 118.481 119.800 -0.335 0.000 2.079 375 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 375 Q C 2.367 178.306 176.000 -0.103 0.000 0.974 375 Q CA 1.534 57.238 55.803 -0.164 0.000 0.840 375 Q CB -0.182 28.490 28.738 -0.109 0.000 0.898 375 Q HN 0.681 nan 8.270 nan 0.000 0.430 376 R N -0.017 120.431 120.500 -0.088 0.000 2.080 376 R HA -0.213 4.127 4.340 -0.001 0.000 0.236 376 R C 1.919 178.232 176.300 0.022 0.000 1.137 376 R CA 1.826 57.912 56.100 -0.023 0.000 0.943 376 R CB -0.391 29.914 30.300 0.009 0.000 0.846 376 R HN 0.393 nan 8.270 nan 0.000 0.431 377 W N 0.640 121.855 121.300 -0.141 0.000 2.335 377 W HA -0.231 4.429 4.660 -0.001 0.000 0.311 377 W C 2.080 178.566 176.519 -0.056 0.000 1.213 377 W CA 2.299 59.624 57.345 -0.033 0.000 1.274 377 W CB -0.371 29.146 29.460 0.096 0.000 1.148 377 W HN 0.246 nan 8.180 nan 0.000 0.498 378 A N 0.418 123.352 122.820 0.190 0.000 1.902 378 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 378 A C 2.027 179.549 177.584 -0.104 0.000 1.181 378 A CA 1.707 53.794 52.037 0.083 0.000 0.623 378 A CB -0.799 18.264 19.000 0.106 0.000 0.818 378 A HN 0.384 nan 8.150 nan 0.000 0.443 379 R N -0.354 120.091 120.500 -0.091 0.000 2.070 379 R HA -0.190 4.149 4.340 -0.001 0.000 0.233 379 R C 2.310 178.528 176.300 -0.136 0.000 1.137 379 R CA 1.861 57.903 56.100 -0.098 0.000 0.945 379 R CB -0.283 29.974 30.300 -0.071 0.000 0.845 379 R HN 0.779 nan 8.270 nan 0.000 0.430 380 E N 0.409 120.507 120.200 -0.169 0.000 2.150 380 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 380 E C 1.889 178.331 176.600 -0.263 0.000 0.985 380 E CA 1.235 57.524 56.400 -0.186 0.000 0.814 380 E CB -0.177 29.430 29.700 -0.155 0.000 0.752 380 E HN 0.018 nan 8.360 nan 0.000 0.466 381 R N 0.642 120.883 120.500 -0.431 0.000 2.081 381 R HA 0.054 4.394 4.340 -0.001 0.000 0.235 381 R C 2.262 178.410 176.300 -0.255 0.000 1.131 381 R CA 1.853 57.666 56.100 -0.479 0.000 0.960 381 R CB -0.912 28.855 30.300 -0.888 0.000 0.856 381 R HN 0.318 nan 8.270 nan 0.000 0.436 382 A N -0.009 122.693 122.820 -0.196 0.000 1.930 382 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 382 A C 2.046 179.572 177.584 -0.097 0.000 1.175 382 A CA 1.471 53.438 52.037 -0.118 0.000 0.627 382 A CB -0.432 18.510 19.000 -0.096 0.000 0.815 382 A HN 0.503 nan 8.150 nan 0.000 0.443 383 Q N -0.725 119.012 119.800 -0.105 0.000 2.084 383 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 383 Q C 2.365 178.320 176.000 -0.074 0.000 0.978 383 Q CA 1.271 57.027 55.803 -0.079 0.000 0.844 383 Q CB -0.164 28.528 28.738 -0.077 0.000 0.898 383 Q HN 0.496 nan 8.270 nan 0.000 0.426 384 R N 0.230 120.674 120.500 -0.094 0.000 2.083 384 R HA -0.123 4.216 4.340 -0.001 0.000 0.237 384 R C 2.208 178.472 176.300 -0.061 0.000 1.137 384 R CA 1.381 57.433 56.100 -0.079 0.000 0.951 384 R CB -0.740 29.499 30.300 -0.101 0.000 0.851 384 R HN 0.266 nan 8.270 nan 0.000 0.434 385 A N 0.761 123.541 122.820 -0.067 0.000 1.902 385 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 385 A C 2.513 180.075 177.584 -0.037 0.000 1.181 385 A CA 1.569 53.577 52.037 -0.048 0.000 0.623 385 A CB -0.571 18.400 19.000 -0.049 0.000 0.818 385 A HN 0.116 nan 8.150 nan 0.000 0.443 386 V N 0.781 120.672 119.914 -0.039 0.000 2.358 386 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 386 V C 2.965 179.047 176.094 -0.020 0.000 1.047 386 V CA 2.412 64.697 62.300 -0.025 0.000 1.035 386 V CB -0.724 31.085 31.823 -0.023 0.000 0.658 386 V HN 0.817 nan 8.190 nan 0.000 0.452 387 S N -0.351 115.334 115.700 -0.026 0.000 2.446 387 S HA 0.205 4.674 4.470 -0.001 0.000 0.225 387 S C 1.670 176.259 174.600 -0.018 0.000 1.016 387 S CA 0.895 59.082 58.200 -0.021 0.000 0.943 387 S CB 0.514 63.698 63.200 -0.026 0.000 0.786 387 S HN 1.280 nan 8.310 nan 0.000 0.508 388 G N 1.060 109.848 108.800 -0.021 0.000 2.131 388 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.223 388 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.223 388 G C -0.058 174.831 174.900 -0.018 0.000 0.990 388 G CA 0.354 45.443 45.100 -0.017 0.000 0.671 388 G HN 0.501 nan 8.290 nan 0.000 0.521 389 M N 0.000 119.585 119.600 -0.025 0.000 2.572 389 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 389 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 389 M CB 0.000 32.584 32.600 -0.026 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411