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 1cjd_1_C DATA FIRST_RESID 16 DATA SEQUENCE RNQQAMAANL QARQIVLQQS YPVIQQVETQ TFDPANRSVF DVTPANVGIV DATA SEQUENCE KGFLVKVTAA ITNNHATEAV ALTDFGPANL VQRVIYYDPD NQRHTETSGW DATA SEQUENCE HLHFVNTAKQ GAPFLSSMVT DSPIKYGDVM NVIDAPATIA AGATGELTMY DATA SEQUENCE YWVPLAYSET DLTGAVLANV PQSKQRLKLE FANNNTAFAA VGANPLEAIY DATA SEQUENCE QGAGAADCEF EEISYTVYQS YLDQLPVGQX XYILPLIDLS TLYNLENSAQ DATA SEQUENCE AGLTPNVDFV VQYANLYRYL STIAVFDNGG SFNAGTDINY LSQRTANFSD DATA SEQUENCE TRKLDPKTWA AQTRRRIATD FPKGVYYCDN RDKPIYTLQY GNVGFVVNPK DATA SEQUENCE TVNQNARLLM GYEYFTSRT 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 16 R HA 0.000 nan 4.340 nan 0.000 0.208 16 R C 0.000 176.300 176.300 0.000 0.000 0.893 16 R CA 0.000 56.101 56.100 0.002 0.000 0.921 16 R CB 0.000 30.302 30.300 0.003 0.000 0.687 17 N N 0.181 118.880 118.700 -0.000 0.000 2.409 17 N HA 0.066 4.806 4.740 -0.000 0.000 0.174 17 N C 2.024 177.530 175.510 -0.007 0.000 1.037 17 N CA 2.188 55.236 53.050 -0.004 0.000 0.898 17 N CB 0.124 38.609 38.487 -0.002 0.000 1.010 17 N HN 0.677 nan 8.380 nan 0.000 0.445 18 Q N -0.341 119.456 119.800 -0.004 0.000 2.181 18 Q HA -0.134 4.206 4.340 -0.000 0.000 0.205 18 Q C 2.348 178.344 176.000 -0.007 0.000 0.980 18 Q CA 2.595 58.395 55.803 -0.006 0.000 0.862 18 Q CB -1.813 26.924 28.738 -0.003 0.000 0.905 18 Q HN 0.838 nan 8.270 nan 0.000 0.429 19 Q N -0.440 119.357 119.800 -0.005 0.000 2.137 19 Q HA 0.417 4.757 4.340 -0.000 0.000 0.198 19 Q C 2.614 178.610 176.000 -0.006 0.000 0.960 19 Q CA 2.063 57.864 55.803 -0.004 0.000 0.847 19 Q CB -0.792 27.945 28.738 -0.001 0.000 0.915 19 Q HN 1.142 nan 8.270 nan 0.000 0.448 20 A N 0.473 123.289 122.820 -0.007 0.000 1.902 20 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 20 A C 2.357 179.931 177.584 -0.017 0.000 1.181 20 A CA 1.966 53.997 52.037 -0.010 0.000 0.623 20 A CB -0.368 18.625 19.000 -0.011 0.000 0.818 20 A HN 0.563 nan 8.150 nan 0.000 0.443 21 M N -0.427 119.161 119.600 -0.020 0.000 2.080 21 M HA -0.167 4.312 4.480 -0.000 0.000 0.260 21 M C 2.533 178.819 176.300 -0.024 0.000 1.068 21 M CA 1.788 57.071 55.300 -0.028 0.000 1.109 21 M CB -1.384 31.199 32.600 -0.028 0.000 1.342 21 M HN 0.499 nan 8.290 nan 0.000 0.405 22 A N -0.064 122.747 122.820 -0.016 0.000 1.969 22 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 22 A C 2.393 179.971 177.584 -0.010 0.000 1.169 22 A CA 1.847 53.876 52.037 -0.012 0.000 0.635 22 A CB -0.740 18.255 19.000 -0.008 0.000 0.810 22 A HN 0.494 nan 8.150 nan 0.000 0.445 23 A N 0.341 123.156 122.820 -0.008 0.000 1.897 23 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 23 A C 1.943 179.523 177.584 -0.006 0.000 1.181 23 A CA 1.911 53.946 52.037 -0.004 0.000 0.620 23 A CB -0.713 18.287 19.000 -0.001 0.000 0.821 23 A HN 0.640 nan 8.150 nan 0.000 0.443 24 N N -0.182 118.510 118.700 -0.014 0.000 2.058 24 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 24 N C 1.612 177.110 175.510 -0.021 0.000 1.037 24 N CA 1.744 54.782 53.050 -0.021 0.000 0.848 24 N CB -0.352 38.113 38.487 -0.036 0.000 1.021 24 N HN 0.272 nan 8.380 nan 0.000 0.422 25 L N 1.211 122.419 121.223 -0.025 0.000 2.079 25 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 25 L C 2.268 179.131 176.870 -0.011 0.000 1.081 25 L CA 1.804 56.631 54.840 -0.022 0.000 0.752 25 L CB -1.216 40.830 42.059 -0.023 0.000 0.896 25 L HN 0.440 nan 8.230 nan 0.000 0.433 26 Q N -0.787 119.010 119.800 -0.006 0.000 2.079 26 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 26 Q C 2.066 178.069 176.000 0.006 0.000 0.974 26 Q CA 1.706 57.509 55.803 0.000 0.000 0.840 26 Q CB -0.123 28.616 28.738 0.002 0.000 0.898 26 Q HN 0.634 nan 8.270 nan 0.000 0.430 27 A N 1.536 124.360 122.820 0.006 0.000 1.898 27 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 27 A C 2.183 179.774 177.584 0.012 0.000 1.181 27 A CA 1.379 53.424 52.037 0.015 0.000 0.620 27 A CB -0.672 18.337 19.000 0.015 0.000 0.819 27 A HN 0.422 nan 8.150 nan 0.000 0.442 28 R N -0.319 120.181 120.500 0.001 0.000 2.083 28 R HA -0.216 4.124 4.340 -0.000 0.000 0.237 28 R C 2.322 178.623 176.300 0.003 0.000 1.137 28 R CA 2.060 58.159 56.100 -0.002 0.000 0.951 28 R CB -0.390 29.902 30.300 -0.013 0.000 0.851 28 R HN 0.692 nan 8.270 nan 0.000 0.434 29 Q N 0.054 119.855 119.800 0.002 0.000 2.096 29 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 29 Q C 2.221 178.228 176.000 0.010 0.000 0.982 29 Q CA 1.958 57.763 55.803 0.003 0.000 0.850 29 Q CB -0.129 28.610 28.738 0.002 0.000 0.901 29 Q HN 0.426 nan 8.270 nan 0.000 0.422 30 I N -0.429 120.150 120.570 0.016 0.000 2.252 30 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 30 I C 2.142 178.279 176.117 0.033 0.000 1.102 30 I CA 0.650 61.966 61.300 0.025 0.000 1.385 30 I CB -0.123 37.895 38.000 0.031 0.000 1.064 30 I HN 0.035 nan 8.210 nan 0.000 0.414 31 V N 0.967 120.901 119.914 0.033 0.000 2.287 31 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 31 V C 2.354 178.464 176.094 0.027 0.000 1.053 31 V CA 1.804 64.127 62.300 0.038 0.000 1.027 31 V CB -0.449 31.392 31.823 0.029 0.000 0.646 31 V HN 0.366 nan 8.190 nan 0.000 0.447 32 L N -0.369 120.861 121.223 0.012 0.000 2.131 32 L HA -0.182 4.157 4.340 -0.000 0.000 0.210 32 L C 2.745 179.615 176.870 0.001 0.000 1.092 32 L CA 1.227 56.065 54.840 -0.003 0.000 0.759 32 L CB -0.587 41.465 42.059 -0.011 0.000 0.903 32 L HN 0.388 nan 8.230 nan 0.000 0.435 33 Q N -0.293 119.515 119.800 0.013 0.000 2.096 33 Q HA -0.130 4.210 4.340 -0.000 0.000 0.197 33 Q C 2.143 178.166 176.000 0.039 0.000 0.964 33 Q CA 1.066 56.881 55.803 0.020 0.000 0.838 33 Q CB -0.173 28.577 28.738 0.020 0.000 0.906 33 Q HN 0.597 nan 8.270 nan 0.000 0.444 34 Q N 0.780 120.609 119.800 0.049 0.000 2.250 34 Q HA 0.062 4.402 4.340 -0.000 0.000 0.200 34 Q C 1.220 177.275 176.000 0.093 0.000 0.941 34 Q CA 0.420 56.264 55.803 0.068 0.000 0.872 34 Q CB 0.003 28.781 28.738 0.067 0.000 0.965 34 Q HN 0.284 nan 8.270 nan 0.000 0.480 35 S N -0.189 115.564 115.700 0.088 0.000 2.632 35 S HA 0.337 4.807 4.470 -0.000 0.000 0.267 35 S C -0.685 173.994 174.600 0.132 0.000 1.276 35 S CA -0.702 57.565 58.200 0.111 0.000 0.998 35 S CB 0.844 64.095 63.200 0.085 0.000 0.953 35 S HN 0.216 nan 8.310 nan 0.000 0.547 36 Y N 2.177 122.483 120.300 0.010 0.000 2.341 36 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 36 Y C -2.486 173.375 175.900 -0.065 0.000 0.965 36 Y CA -2.364 55.723 58.100 -0.021 0.000 1.108 36 Y CB 1.781 40.230 38.460 -0.018 0.000 1.180 36 Y HN 0.543 nan 8.280 nan 0.000 0.458 37 P HA 0.102 nan 4.420 nan 0.000 0.267 37 P C -1.190 175.923 177.300 -0.313 0.000 1.205 37 P CA 0.312 63.170 63.100 -0.403 0.000 0.765 37 P CB 1.512 32.943 31.700 -0.448 0.000 0.828 38 V N 5.038 124.720 119.914 -0.386 0.000 2.876 38 V HA 0.510 4.630 4.120 -0.000 0.000 0.312 38 V C 0.079 175.958 176.094 -0.358 0.000 1.085 38 V CA -0.780 61.284 62.300 -0.393 0.000 0.945 38 V CB 2.540 33.938 31.823 -0.708 0.000 1.017 38 V HN 0.519 nan 8.190 nan 0.000 0.428 39 I N 4.124 124.627 120.570 -0.111 0.000 2.512 39 I HA 0.653 4.823 4.170 -0.000 0.000 0.287 39 I C -0.871 175.356 176.117 0.183 0.000 1.069 39 I CA -0.080 61.251 61.300 0.051 0.000 1.056 39 I CB 1.586 39.613 38.000 0.045 0.000 1.229 39 I HN 0.954 nan 8.210 nan 0.000 0.429 40 Q N 5.914 125.916 119.800 0.338 0.000 2.379 40 Q HA 0.365 4.705 4.340 -0.000 0.000 0.278 40 Q C -1.527 174.724 176.000 0.419 0.000 1.068 40 Q CA -0.935 55.101 55.803 0.388 0.000 0.816 40 Q CB 1.806 30.730 28.738 0.309 0.000 1.387 40 Q HN 0.694 nan 8.270 nan 0.000 0.413 41 Q N 1.213 121.201 119.800 0.313 0.000 2.300 41 Q HA 0.128 4.468 4.340 -0.000 0.000 0.280 41 Q C 0.121 176.139 176.000 0.031 0.000 1.033 41 Q CA 0.393 56.151 55.803 -0.075 0.000 0.903 41 Q CB 1.000 29.622 28.738 -0.194 0.000 1.195 41 Q HN 0.703 nan 8.270 nan 0.000 0.386 42 V N 0.375 120.300 119.914 0.019 0.000 3.570 42 V HA 0.373 4.493 4.120 -0.000 0.000 0.257 42 V C 0.213 176.330 176.094 0.039 0.000 1.272 42 V CA 0.573 62.917 62.300 0.074 0.000 1.079 42 V CB 0.146 32.055 31.823 0.142 0.000 0.829 42 V HN 0.854 nan 8.190 nan 0.000 0.454 43 E N -0.596 119.609 120.200 0.007 0.000 2.401 43 E HA 0.505 4.855 4.350 -0.000 0.000 0.283 43 E C -1.613 174.960 176.600 -0.044 0.000 1.053 43 E CA -0.332 56.078 56.400 0.018 0.000 0.842 43 E CB 2.146 31.912 29.700 0.110 0.000 1.222 43 E HN 0.194 nan 8.360 nan 0.000 0.429 44 T N 2.772 117.236 114.554 -0.150 0.000 2.909 44 T HA 0.520 4.870 4.350 -0.000 0.000 0.299 44 T C -1.249 173.173 174.700 -0.464 0.000 1.073 44 T CA -0.726 61.178 62.100 -0.327 0.000 0.999 44 T CB 1.762 70.501 68.868 -0.215 0.000 1.098 44 T HN 0.381 nan 8.240 nan 0.000 0.477 45 Q N 0.817 120.151 119.800 -0.777 0.000 2.386 45 Q HA 0.478 4.818 4.340 -0.000 0.000 0.274 45 Q C -1.501 174.230 176.000 -0.448 0.000 1.011 45 Q CA -0.707 54.747 55.803 -0.581 0.000 0.867 45 Q CB 2.821 31.133 28.738 -0.711 0.000 1.409 45 Q HN 0.618 nan 8.270 nan 0.000 0.395 46 T N 2.750 117.186 114.554 -0.195 0.000 2.841 46 T HA 0.815 5.165 4.350 -0.000 0.000 0.283 46 T C -0.967 173.721 174.700 -0.019 0.000 1.000 46 T CA -0.408 61.576 62.100 -0.192 0.000 0.977 46 T CB 0.480 69.248 68.868 -0.166 0.000 0.979 46 T HN 0.464 nan 8.240 nan 0.000 0.446 47 F N -0.306 119.536 119.950 -0.181 0.000 2.817 47 F HA 0.705 5.232 4.527 -0.000 0.000 0.317 47 F C -1.783 173.982 175.800 -0.057 0.000 1.168 47 F CA -1.342 56.617 58.000 -0.069 0.000 0.911 47 F CB 1.047 40.069 39.000 0.037 0.000 1.337 47 F HN 0.321 nan 8.300 nan 0.000 0.464 48 D N 2.233 122.719 120.400 0.144 0.000 2.381 48 D HA 0.393 5.033 4.640 -0.000 0.000 0.235 48 D C -1.949 174.509 176.300 0.264 0.000 1.068 48 D CA -2.567 51.480 54.000 0.078 0.000 0.832 48 D CB 2.242 43.101 40.800 0.099 0.000 1.101 48 D HN 0.304 nan 8.370 nan 0.000 0.515 49 P HA -0.066 nan 4.420 nan 0.000 0.231 49 P C 0.888 178.310 177.300 0.204 0.000 1.158 49 P CA 0.420 63.683 63.100 0.272 0.000 0.763 49 P CB 0.216 31.942 31.700 0.044 0.000 0.805 50 A N -0.104 122.827 122.820 0.184 0.000 2.066 50 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 50 A C 2.078 179.735 177.584 0.121 0.000 1.157 50 A CA 1.191 53.320 52.037 0.153 0.000 0.670 50 A CB -0.756 18.331 19.000 0.144 0.000 0.804 50 A HN 0.139 nan 8.150 nan 0.000 0.453 51 N N -1.098 117.683 118.700 0.135 0.000 2.368 51 N HA 0.087 4.827 4.740 -0.000 0.000 0.178 51 N C 0.726 176.272 175.510 0.060 0.000 1.021 51 N CA 0.632 53.740 53.050 0.098 0.000 0.875 51 N CB 0.143 38.699 38.487 0.115 0.000 1.020 51 N HN 0.537 nan 8.380 nan 0.000 0.433 52 R N -0.359 120.195 120.500 0.089 0.000 2.604 52 R HA 0.220 4.559 4.340 -0.000 0.000 0.261 52 R C -0.821 175.474 176.300 -0.009 0.000 1.080 52 R CA -0.042 56.020 56.100 -0.064 0.000 0.917 52 R CB 0.765 30.917 30.300 -0.246 0.000 1.252 52 R HN 0.082 nan 8.270 nan 0.000 0.456 53 S N 0.873 116.541 115.700 -0.052 0.000 2.787 53 S HA 0.220 4.689 4.470 -0.000 0.000 0.255 53 S C -0.354 174.350 174.600 0.175 0.000 1.051 53 S CA -0.259 58.048 58.200 0.178 0.000 1.124 53 S CB 0.861 64.196 63.200 0.224 0.000 1.104 53 S HN 0.157 nan 8.310 nan 0.000 0.623 54 V N 2.701 122.500 119.914 -0.192 0.000 2.448 54 V HA 0.653 4.773 4.120 -0.000 0.000 0.295 54 V C -1.328 174.478 176.094 -0.480 0.000 1.025 54 V CA -0.520 61.679 62.300 -0.168 0.000 0.859 54 V CB 0.989 32.712 31.823 -0.166 0.000 0.988 54 V HN 0.409 nan 8.190 nan 0.000 0.431 55 F N 1.616 121.505 119.950 -0.103 0.000 2.556 55 F HA 0.519 5.046 4.527 -0.000 0.000 0.314 55 F C -0.188 175.532 175.800 -0.132 0.000 1.106 55 F CA -0.919 57.021 58.000 -0.100 0.000 0.911 55 F CB 1.989 40.961 39.000 -0.048 0.000 1.190 55 F HN 0.409 nan 8.300 nan 0.000 0.448 56 D N 2.098 122.517 120.400 0.032 0.000 2.454 56 D HA 0.451 5.090 4.640 -0.000 0.000 0.225 56 D C -0.811 175.486 176.300 -0.006 0.000 1.081 56 D CA -0.074 53.906 54.000 -0.033 0.000 0.864 56 D CB 1.472 42.230 40.800 -0.070 0.000 1.040 56 D HN 0.094 nan 8.370 nan 0.000 0.517 57 V N 2.359 122.243 119.914 -0.051 0.000 2.546 57 V HA 0.285 4.404 4.120 -0.000 0.000 0.284 57 V C 0.658 176.707 176.094 -0.075 0.000 1.050 57 V CA -0.289 61.989 62.300 -0.038 0.000 0.981 57 V CB 1.613 33.379 31.823 -0.095 0.000 0.990 57 V HN 0.501 nan 8.190 nan 0.000 0.474 58 T N 6.856 121.392 114.554 -0.030 0.000 2.929 58 T HA 0.346 4.696 4.350 -0.000 0.000 0.331 58 T C -2.309 172.390 174.700 -0.002 0.000 1.120 58 T CA -0.882 61.198 62.100 -0.033 0.000 0.973 58 T CB 0.869 69.727 68.868 -0.017 0.000 1.036 58 T HN 0.498 nan 8.240 nan 0.000 0.502 59 P HA 0.292 nan 4.420 nan 0.000 0.269 59 P C -0.540 176.816 177.300 0.093 0.000 1.217 59 P CA -0.453 62.722 63.100 0.124 0.000 0.783 59 P CB 0.454 32.325 31.700 0.284 0.000 0.898 60 A N 1.974 124.848 122.820 0.090 0.000 2.354 60 A HA 0.263 4.583 4.320 -0.000 0.000 0.269 60 A C 0.085 177.650 177.584 -0.031 0.000 1.109 60 A CA -0.303 51.742 52.037 0.013 0.000 0.800 60 A CB -0.330 18.663 19.000 -0.012 0.000 1.045 60 A HN 0.464 nan 8.150 nan 0.000 0.489 61 N N 1.019 119.694 118.700 -0.042 0.000 2.602 61 N HA 0.417 5.157 4.740 -0.000 0.000 0.238 61 N C -0.880 174.563 175.510 -0.112 0.000 1.084 61 N CA 0.062 53.080 53.050 -0.054 0.000 0.952 61 N CB 0.848 39.322 38.487 -0.023 0.000 1.244 61 N HN 0.573 nan 8.380 nan 0.000 0.512 62 V N -0.666 119.120 119.914 -0.214 0.000 2.733 62 V HA 0.880 5.000 4.120 -0.000 0.000 0.306 62 V C 1.023 176.973 176.094 -0.240 0.000 1.084 62 V CA -0.706 61.419 62.300 -0.292 0.000 0.905 62 V CB 1.134 32.574 31.823 -0.638 0.000 1.010 62 V HN 0.622 nan 8.190 nan 0.000 0.424 63 G N 3.958 112.709 108.800 -0.081 0.000 2.616 63 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.361 63 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.361 63 G C 0.006 174.895 174.900 -0.018 0.000 1.361 63 G CA 0.932 46.025 45.100 -0.011 0.000 0.969 63 G HN 1.220 nan 8.290 nan 0.000 0.528 64 I N 0.740 121.334 120.570 0.041 0.000 2.304 64 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 64 I C 0.331 176.490 176.117 0.070 0.000 1.018 64 I CA -0.573 60.744 61.300 0.029 0.000 1.260 64 I CB 1.459 39.471 38.000 0.020 0.000 1.390 64 I HN 0.253 nan 8.210 nan 0.000 0.475 65 V N 7.656 127.577 119.914 0.013 0.000 2.461 65 V HA 0.143 4.263 4.120 -0.000 0.000 0.275 65 V C 0.842 176.879 176.094 -0.095 0.000 1.047 65 V CA -0.237 62.036 62.300 -0.045 0.000 0.955 65 V CB 1.154 32.908 31.823 -0.115 0.000 0.988 65 V HN 0.732 nan 8.190 nan 0.000 0.471 66 K N 2.825 123.172 120.400 -0.089 0.000 2.308 66 K HA 0.483 4.803 4.320 -0.000 0.000 0.197 66 K C 0.805 177.307 176.600 -0.164 0.000 1.049 66 K CA 0.701 56.974 56.287 -0.024 0.000 0.991 66 K CB 0.650 33.226 32.500 0.127 0.000 0.836 66 K HN 0.938 nan 8.250 nan 0.000 0.500 67 G N -0.287 108.188 108.800 -0.541 0.000 2.317 67 G HA2 0.341 4.301 3.960 -0.000 0.000 0.293 67 G HA3 0.341 4.301 3.960 -0.000 0.000 0.293 67 G C -1.935 172.084 174.900 -1.469 0.000 1.287 67 G CA -1.069 43.361 45.100 -1.117 0.000 0.850 67 G HN -0.019 nan 8.290 nan 0.000 0.515 68 F N -0.503 118.856 119.950 -0.985 0.000 2.547 68 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 68 F C -0.229 175.464 175.800 -0.178 0.000 1.121 68 F CA -0.814 56.956 58.000 -0.384 0.000 0.911 68 F CB 2.372 41.243 39.000 -0.215 0.000 1.179 68 F HN 0.422 nan 8.300 nan 0.000 0.443 69 L N 4.394 125.900 121.223 0.471 0.000 2.272 69 L HA 0.731 5.071 4.340 -0.000 0.000 0.289 69 L C -1.099 176.121 176.870 0.584 0.000 1.032 69 L CA -0.526 54.721 54.840 0.678 0.000 0.810 69 L CB 1.207 43.697 42.059 0.719 0.000 1.205 69 L HN 0.401 nan 8.230 nan 0.000 0.422 70 V N 5.587 125.806 119.914 0.508 0.000 2.357 70 V HA 0.393 4.513 4.120 -0.000 0.000 0.284 70 V C 0.038 176.316 176.094 0.306 0.000 1.018 70 V CA -0.820 61.712 62.300 0.387 0.000 0.841 70 V CB 1.194 33.178 31.823 0.268 0.000 0.991 70 V HN 0.719 nan 8.190 nan 0.000 0.437 71 K N 4.302 124.797 120.400 0.160 0.000 2.227 71 K HA 0.670 4.990 4.320 -0.000 0.000 0.280 71 K C -1.314 175.258 176.600 -0.045 0.000 1.041 71 K CA -0.337 55.761 56.287 -0.316 0.000 0.905 71 K CB 1.454 33.846 32.500 -0.180 0.000 1.068 71 K HN 0.499 nan 8.250 nan 0.000 0.470 72 V N 3.708 123.568 119.914 -0.089 0.000 2.577 72 V HA 0.339 4.459 4.120 -0.000 0.000 0.303 72 V C -0.301 175.802 176.094 0.014 0.000 1.042 72 V CA -0.824 61.538 62.300 0.103 0.000 0.872 72 V CB 1.625 33.645 31.823 0.328 0.000 0.998 72 V HN 1.018 nan 8.190 nan 0.000 0.423 73 T N 1.381 115.932 114.554 -0.005 0.000 2.924 73 T HA 0.974 5.324 4.350 -0.000 0.000 0.291 73 T C -0.496 174.198 174.700 -0.010 0.000 1.045 73 T CA -0.451 61.648 62.100 -0.003 0.000 1.015 73 T CB 2.357 71.212 68.868 -0.021 0.000 1.103 73 T HN 1.460 nan 8.240 nan 0.000 0.496 74 A N 0.459 123.310 122.820 0.052 0.000 2.604 74 A HA 0.892 5.212 4.320 -0.000 0.000 0.295 74 A C -1.060 176.601 177.584 0.129 0.000 1.067 74 A CA -0.724 51.374 52.037 0.102 0.000 0.683 74 A CB 1.102 20.270 19.000 0.281 0.000 1.281 74 A HN 1.728 nan 8.150 nan 0.000 0.407 75 A N 1.132 124.034 122.820 0.137 0.000 2.330 75 A HA 0.799 5.119 4.320 -0.000 0.000 0.313 75 A C -0.856 176.794 177.584 0.111 0.000 1.124 75 A CA -0.298 51.792 52.037 0.090 0.000 0.774 75 A CB 0.461 19.485 19.000 0.040 0.000 1.198 75 A HN 0.793 nan 8.150 nan 0.000 0.465 76 I N 1.606 122.189 120.570 0.023 0.000 2.545 76 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 76 I C -0.337 175.689 176.117 -0.152 0.000 1.040 76 I CA -0.304 60.946 61.300 -0.085 0.000 1.068 76 I CB 2.746 40.667 38.000 -0.131 0.000 1.251 76 I HN 0.577 nan 8.210 nan 0.000 0.424 77 T N 3.898 118.339 114.554 -0.189 0.000 2.807 77 T HA 0.271 4.621 4.350 -0.000 0.000 0.279 77 T C -0.384 174.152 174.700 -0.274 0.000 0.993 77 T CA -0.601 61.386 62.100 -0.187 0.000 0.970 77 T CB 1.175 69.974 68.868 -0.114 0.000 0.950 77 T HN 0.409 nan 8.240 nan 0.000 0.441 78 N N 2.740 121.293 118.700 -0.245 0.000 2.527 78 N HA 0.190 4.930 4.740 -0.000 0.000 0.236 78 N C -0.005 175.423 175.510 -0.137 0.000 0.999 78 N CA -0.513 52.391 53.050 -0.243 0.000 0.935 78 N CB 0.360 38.708 38.487 -0.231 0.000 1.132 78 N HN 0.360 nan 8.380 nan 0.000 0.511 79 N N 1.307 119.935 118.700 -0.119 0.000 2.276 79 N HA -0.045 4.695 4.740 -0.000 0.000 0.212 79 N C -0.119 175.362 175.510 -0.048 0.000 1.127 79 N CA -0.107 52.898 53.050 -0.076 0.000 0.834 79 N CB -0.114 38.326 38.487 -0.079 0.000 1.014 79 N HN 0.625 nan 8.380 nan 0.000 0.491 80 H N 0.539 119.544 119.070 -0.109 0.000 2.852 80 H HA 0.091 4.647 4.556 -0.000 0.000 0.362 80 H C 0.920 176.210 175.328 -0.064 0.000 1.122 80 H CA 0.439 56.438 56.048 -0.082 0.000 1.419 80 H CB 1.343 31.055 29.762 -0.084 0.000 1.401 80 H HN 0.118 nan 8.280 nan 0.000 0.609 81 A N 2.891 125.466 122.820 -0.408 0.000 1.930 81 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 81 A C 1.990 179.582 177.584 0.014 0.000 1.175 81 A CA 2.277 54.207 52.037 -0.178 0.000 0.627 81 A CB -0.332 18.527 19.000 -0.236 0.000 0.815 81 A HN 0.864 nan 8.150 nan 0.000 0.443 82 T N -4.930 109.774 114.554 0.250 0.000 3.051 82 T HA 0.173 4.523 4.350 -0.000 0.000 0.254 82 T C 0.204 174.996 174.700 0.153 0.000 0.916 82 T CA -0.230 61.983 62.100 0.188 0.000 0.894 82 T CB 0.065 69.008 68.868 0.124 0.000 1.251 82 T HN 0.196 nan 8.240 nan 0.000 0.517 83 E N 1.888 122.183 120.200 0.158 0.000 2.277 83 E HA 0.741 5.091 4.350 -0.000 0.000 0.274 83 E C -0.158 176.347 176.600 -0.158 0.000 1.022 83 E CA -0.391 55.909 56.400 -0.166 0.000 0.853 83 E CB 1.758 31.175 29.700 -0.471 0.000 1.086 83 E HN 0.554 nan 8.360 nan 0.000 0.397 84 A N 1.629 124.381 122.820 -0.113 0.000 2.247 84 A HA 0.703 5.023 4.320 -0.000 0.000 0.313 84 A C -0.165 177.363 177.584 -0.092 0.000 1.109 84 A CA -0.565 51.417 52.037 -0.092 0.000 0.890 84 A CB 0.803 19.773 19.000 -0.050 0.000 1.239 84 A HN 0.407 nan 8.150 nan 0.000 0.506 85 V N -3.915 115.961 119.914 -0.063 0.000 2.962 85 V HA 0.931 5.051 4.120 -0.000 0.000 0.313 85 V C -0.198 175.985 176.094 0.148 0.000 1.099 85 V CA -0.340 61.975 62.300 0.025 0.000 0.971 85 V CB 1.062 32.894 31.823 0.016 0.000 1.028 85 V HN 1.827 nan 8.190 nan 0.000 0.430 86 A N 2.855 125.815 122.820 0.233 0.000 2.413 86 A HA 0.856 5.176 4.320 -0.000 0.000 0.307 86 A C -0.514 177.197 177.584 0.213 0.000 1.087 86 A CA -0.984 51.200 52.037 0.245 0.000 0.750 86 A CB 1.454 20.516 19.000 0.103 0.000 1.296 86 A HN 1.069 nan 8.150 nan 0.000 0.423 87 L N 1.805 123.047 121.223 0.030 0.000 2.514 87 L HA 0.147 4.487 4.340 -0.000 0.000 0.280 87 L C 1.460 178.233 176.870 -0.162 0.000 1.223 87 L CA 0.075 54.729 54.840 -0.309 0.000 0.864 87 L CB 0.585 42.498 42.059 -0.244 0.000 1.118 87 L HN 1.010 nan 8.230 nan 0.000 0.494 88 T N -1.887 112.544 114.554 -0.205 0.000 2.770 88 T HA 0.085 4.435 4.350 -0.000 0.000 0.281 88 T C 0.754 175.378 174.700 -0.126 0.000 0.981 88 T CA -0.801 61.199 62.100 -0.166 0.000 0.955 88 T CB 0.794 69.529 68.868 -0.221 0.000 1.060 88 T HN 0.497 nan 8.240 nan 0.000 0.531 89 D N -0.202 120.101 120.400 -0.161 0.000 2.144 89 D HA -0.022 4.618 4.640 -0.000 0.000 0.199 89 D C 1.547 178.004 176.300 0.261 0.000 0.984 89 D CA 1.098 55.098 54.000 0.000 0.000 0.834 89 D CB -0.239 40.520 40.800 -0.069 0.000 0.955 89 D HN 0.474 nan 8.370 nan 0.000 0.465 90 F N 0.216 120.098 119.950 -0.113 0.000 2.473 90 F HA 0.233 4.760 4.527 -0.000 0.000 0.294 90 F C 2.214 177.960 175.800 -0.090 0.000 1.103 90 F CA 0.429 58.395 58.000 -0.056 0.000 1.442 90 F CB -0.976 37.966 39.000 -0.098 0.000 1.097 90 F HN -0.026 nan 8.300 nan 0.000 0.547 91 G N 2.630 111.455 108.800 0.041 0.000 2.698 91 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.337 91 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.337 91 G C -1.041 173.829 174.900 -0.049 0.000 1.286 91 G CA 0.671 45.710 45.100 -0.101 0.000 1.000 91 G HN 0.213 nan 8.290 nan 0.000 0.547 92 P HA 0.020 nan 4.420 nan 0.000 0.225 92 P C 1.711 179.017 177.300 0.010 0.000 1.148 92 P CA 2.441 65.542 63.100 0.001 0.000 0.779 92 P CB -0.420 31.271 31.700 -0.016 0.000 0.780 93 A N 0.028 122.812 122.820 -0.060 0.000 2.125 93 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 93 A C 1.846 179.566 177.584 0.226 0.000 1.156 93 A CA 1.145 53.149 52.037 -0.056 0.000 0.671 93 A CB -1.045 17.806 19.000 -0.248 0.000 0.794 93 A HN 0.124 nan 8.150 nan 0.000 0.459 94 N N -0.376 118.454 118.700 0.215 0.000 2.276 94 N HA 0.196 4.936 4.740 -0.000 0.000 0.212 94 N C 1.041 176.688 175.510 0.228 0.000 1.127 94 N CA 0.091 53.289 53.050 0.245 0.000 0.834 94 N CB 0.079 38.694 38.487 0.214 0.000 1.014 94 N HN 0.480 nan 8.380 nan 0.000 0.491 95 L N -0.426 120.965 121.223 0.280 0.000 2.156 95 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 95 L C 0.300 177.338 176.870 0.280 0.000 1.095 95 L CA 0.768 55.801 54.840 0.322 0.000 0.770 95 L CB 0.256 42.529 42.059 0.356 0.000 0.914 95 L HN -0.117 nan 8.230 nan 0.000 0.439 96 V N 0.187 120.189 119.914 0.147 0.000 2.347 96 V HA 0.114 4.234 4.120 -0.000 0.000 0.280 96 V C 0.589 176.576 176.094 -0.178 0.000 1.021 96 V CA -0.498 61.661 62.300 -0.236 0.000 0.847 96 V CB 1.600 32.984 31.823 -0.733 0.000 0.990 96 V HN 0.196 nan 8.190 nan 0.000 0.444 97 Q N 3.632 123.346 119.800 -0.144 0.000 2.062 97 Q HA 0.159 4.499 4.340 -0.000 0.000 0.196 97 Q C 0.566 176.468 176.000 -0.164 0.000 0.967 97 Q CA 1.177 56.937 55.803 -0.071 0.000 0.832 97 Q CB 0.348 29.079 28.738 -0.011 0.000 0.899 97 Q HN 0.614 nan 8.270 nan 0.000 0.442 98 R N -0.985 119.368 120.500 -0.245 0.000 2.739 98 R HA 0.630 4.970 4.340 -0.000 0.000 0.271 98 R C -1.383 174.720 176.300 -0.329 0.000 1.010 98 R CA -0.516 55.429 56.100 -0.258 0.000 0.897 98 R CB 2.365 32.563 30.300 -0.169 0.000 1.236 98 R HN -0.176 nan 8.270 nan 0.000 0.466 99 V N 2.858 122.590 119.914 -0.303 0.000 2.760 99 V HA 0.605 4.725 4.120 -0.000 0.000 0.309 99 V C -0.877 175.086 176.094 -0.218 0.000 1.077 99 V CA -0.697 61.422 62.300 -0.302 0.000 0.910 99 V CB 2.203 33.817 31.823 -0.347 0.000 1.008 99 V HN 0.566 nan 8.190 nan 0.000 0.424 100 I N 4.323 124.785 120.570 -0.181 0.000 2.607 100 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 100 I C -1.483 174.553 176.117 -0.134 0.000 1.129 100 I CA -0.580 60.618 61.300 -0.170 0.000 1.042 100 I CB 2.187 40.106 38.000 -0.135 0.000 1.242 100 I HN 0.669 nan 8.210 nan 0.000 0.421 101 Y N 6.220 126.330 120.300 -0.316 0.000 2.409 101 Y HA 0.680 5.230 4.550 -0.000 0.000 0.343 101 Y C -1.753 173.955 175.900 -0.321 0.000 0.973 101 Y CA -0.798 57.154 58.100 -0.248 0.000 1.064 101 Y CB 1.380 39.706 38.460 -0.223 0.000 1.207 101 Y HN 0.413 nan 8.280 nan 0.000 0.452 102 Y N 4.041 123.775 120.300 -0.942 0.000 2.409 102 Y HA 0.313 4.863 4.550 -0.000 0.000 0.343 102 Y C -0.234 175.092 175.900 -0.957 0.000 0.973 102 Y CA -1.155 56.577 58.100 -0.613 0.000 1.064 102 Y CB 1.309 39.568 38.460 -0.334 0.000 1.207 102 Y HN 0.711 nan 8.280 nan 0.000 0.452 103 D N 2.188 122.439 120.400 -0.248 0.000 2.478 103 D HA 0.248 4.888 4.640 -0.000 0.000 0.269 103 D C -2.196 174.089 176.300 -0.026 0.000 1.232 103 D CA -2.273 51.672 54.000 -0.092 0.000 1.059 103 D CB 0.238 41.156 40.800 0.196 0.000 1.104 103 D HN 0.160 nan 8.370 nan 0.000 0.566 104 P HA -0.073 nan 4.420 nan 0.000 0.223 104 P C 0.149 177.459 177.300 0.017 0.000 1.144 104 P CA 1.019 64.126 63.100 0.010 0.000 0.783 104 P CB 0.102 31.817 31.700 0.025 0.000 0.771 105 D N -1.954 118.474 120.400 0.048 0.000 2.339 105 D HA 0.020 4.660 4.640 -0.000 0.000 0.217 105 D C 0.484 176.814 176.300 0.050 0.000 1.050 105 D CA 0.143 54.171 54.000 0.047 0.000 0.856 105 D CB -0.596 40.244 40.800 0.066 0.000 0.922 105 D HN -0.001 nan 8.370 nan 0.000 0.518 106 N N 0.986 119.718 118.700 0.052 0.000 2.782 106 N HA -0.226 4.514 4.740 -0.000 0.000 0.251 106 N C -0.335 175.297 175.510 0.202 0.000 1.101 106 N CA 0.442 53.541 53.050 0.082 0.000 0.764 106 N CB -1.025 37.459 38.487 -0.005 0.000 1.122 106 N HN 0.156 nan 8.380 nan 0.000 0.561 107 Q N 1.094 121.004 119.800 0.183 0.000 2.279 107 Q HA 0.301 4.641 4.340 -0.000 0.000 0.256 107 Q C -0.104 176.021 176.000 0.208 0.000 0.937 107 Q CA -0.274 55.633 55.803 0.173 0.000 0.933 107 Q CB 0.713 29.534 28.738 0.138 0.000 1.189 107 Q HN 0.286 nan 8.270 nan 0.000 0.417 108 R N 3.933 124.475 120.500 0.069 0.000 2.438 108 R HA 0.178 4.517 4.340 -0.000 0.000 0.287 108 R C -0.080 176.224 176.300 0.005 0.000 1.077 108 R CA 0.101 56.097 56.100 -0.173 0.000 1.034 108 R CB 0.418 30.526 30.300 -0.321 0.000 0.993 108 R HN 0.881 nan 8.270 nan 0.000 0.459 109 H N 0.868 119.872 119.070 -0.110 0.000 4.661 109 H HA 0.147 4.703 4.556 -0.000 0.000 0.141 109 H C 0.090 175.319 175.328 -0.166 0.000 1.436 109 H CA -0.445 55.566 56.048 -0.061 0.000 1.052 109 H CB 0.160 29.963 29.762 0.069 0.000 1.383 109 H HN 0.434 nan 8.280 nan 0.000 0.422 110 T N 1.490 116.030 114.554 -0.024 0.000 2.932 110 T HA 0.101 4.451 4.350 -0.000 0.000 0.312 110 T C 0.054 174.664 174.700 -0.149 0.000 1.071 110 T CA 0.433 62.436 62.100 -0.162 0.000 1.128 110 T CB 0.350 69.083 68.868 -0.226 0.000 0.984 110 T HN 0.466 nan 8.240 nan 0.000 0.549 111 E N 1.420 121.534 120.200 -0.143 0.000 2.551 111 E HA 0.463 4.813 4.350 -0.000 0.000 0.321 111 E C -0.812 175.725 176.600 -0.106 0.000 0.975 111 E CA -0.621 55.699 56.400 -0.135 0.000 0.784 111 E CB 1.005 30.630 29.700 -0.125 0.000 1.493 111 E HN 0.504 nan 8.360 nan 0.000 0.385 112 T N 1.251 115.715 114.554 -0.150 0.000 2.711 112 T HA 0.600 4.950 4.350 -0.000 0.000 0.302 112 T C -1.034 173.511 174.700 -0.259 0.000 1.373 112 T CA -0.115 61.891 62.100 -0.156 0.000 1.000 112 T CB 0.792 69.623 68.868 -0.062 0.000 1.483 112 T HN 0.633 nan 8.240 nan 0.000 0.499 113 S N -0.013 115.456 115.700 -0.385 0.000 2.617 113 S HA 0.497 4.967 4.470 -0.000 0.000 0.269 113 S C 1.631 175.933 174.600 -0.496 0.000 1.292 113 S CA 0.059 57.957 58.200 -0.503 0.000 1.010 113 S CB 0.909 63.582 63.200 -0.879 0.000 0.944 113 S HN 1.077 nan 8.310 nan 0.000 0.536 114 G N 1.144 109.725 108.800 -0.364 0.000 2.422 114 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 114 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 114 G C 1.316 176.195 174.900 -0.035 0.000 1.146 114 G CA 0.787 45.729 45.100 -0.263 0.000 0.769 114 G HN 0.956 nan 8.290 nan 0.000 0.547 115 W N 0.144 121.410 121.300 -0.057 0.000 2.388 115 W HA -0.025 4.635 4.660 -0.000 0.000 0.294 115 W C 1.814 178.061 176.519 -0.453 0.000 1.212 115 W CA 0.853 57.985 57.345 -0.355 0.000 1.271 115 W CB -1.081 28.151 29.460 -0.380 0.000 1.126 115 W HN 0.409 nan 8.180 nan 0.000 0.535 116 H N 1.260 119.932 119.070 -0.662 0.000 2.326 116 H HA -0.184 4.372 4.556 -0.000 0.000 0.301 116 H C 2.361 177.571 175.328 -0.197 0.000 1.081 116 H CA 1.862 57.659 56.048 -0.418 0.000 1.334 116 H CB -0.105 29.191 29.762 -0.777 0.000 1.385 116 H HN 0.123 nan 8.280 nan 0.000 0.504 117 L N 0.943 121.911 121.223 -0.425 0.000 2.042 117 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 117 L C 2.591 179.353 176.870 -0.180 0.000 1.076 117 L CA 2.415 57.049 54.840 -0.343 0.000 0.749 117 L CB -1.067 40.857 42.059 -0.225 0.000 0.893 117 L HN 0.362 nan 8.230 nan 0.000 0.432 118 H N -1.309 117.674 119.070 -0.146 0.000 2.353 118 H HA -0.191 4.365 4.556 -0.000 0.000 0.300 118 H C 1.828 177.111 175.328 -0.075 0.000 1.090 118 H CA 2.187 58.143 56.048 -0.153 0.000 1.327 118 H CB -0.344 29.302 29.762 -0.193 0.000 1.383 118 H HN 0.349 nan 8.280 nan 0.000 0.508 119 F N -0.272 119.565 119.950 -0.188 0.000 2.216 119 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 119 F C 2.633 178.355 175.800 -0.129 0.000 1.085 119 F CA 0.850 58.779 58.000 -0.118 0.000 1.326 119 F CB -0.906 38.070 39.000 -0.040 0.000 1.027 119 F HN 0.105 nan 8.300 nan 0.000 0.497 120 V N 0.044 119.941 119.914 -0.029 0.000 2.379 120 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 120 V C 1.931 177.958 176.094 -0.112 0.000 1.044 120 V CA 1.825 64.094 62.300 -0.053 0.000 1.036 120 V CB -0.821 30.915 31.823 -0.146 0.000 0.664 120 V HN 0.356 nan 8.190 nan 0.000 0.453 121 N N -0.272 118.268 118.700 -0.266 0.000 2.094 121 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 121 N C 1.827 177.183 175.510 -0.257 0.000 1.023 121 N CA 1.830 54.593 53.050 -0.479 0.000 0.857 121 N CB -0.216 37.551 38.487 -1.200 0.000 1.013 121 N HN 0.419 nan 8.380 nan 0.000 0.426 122 T N 0.592 115.036 114.554 -0.184 0.000 2.708 122 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 122 T C 2.066 176.734 174.700 -0.053 0.000 1.037 122 T CA 1.220 63.293 62.100 -0.046 0.000 1.146 122 T CB -0.340 68.482 68.868 -0.076 0.000 0.865 122 T HN 0.339 nan 8.240 nan 0.000 0.435 123 A N 1.988 124.782 122.820 -0.044 0.000 1.908 123 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 123 A C 2.241 179.812 177.584 -0.021 0.000 1.181 123 A CA 1.426 53.402 52.037 -0.101 0.000 0.627 123 A CB -0.342 18.533 19.000 -0.208 0.000 0.818 123 A HN 0.369 nan 8.150 nan 0.000 0.445 124 K N -0.608 119.785 120.400 -0.012 0.000 2.288 124 K HA -0.125 4.195 4.320 -0.000 0.000 0.201 124 K C 2.116 178.699 176.600 -0.028 0.000 1.048 124 K CA 1.274 57.546 56.287 -0.024 0.000 0.956 124 K CB -0.130 32.327 32.500 -0.071 0.000 0.746 124 K HN 0.762 nan 8.250 nan 0.000 0.461 125 Q N 0.197 119.998 119.800 0.001 0.000 2.187 125 Q HA -0.066 4.273 4.340 -0.000 0.000 0.199 125 Q C 0.739 176.729 176.000 -0.017 0.000 0.957 125 Q CA 1.309 57.122 55.803 0.017 0.000 0.857 125 Q CB 0.284 29.089 28.738 0.112 0.000 0.929 125 Q HN 0.409 nan 8.270 nan 0.000 0.453 126 G N -0.505 108.278 108.800 -0.029 0.000 2.141 126 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.231 126 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.231 126 G C -0.061 174.799 174.900 -0.068 0.000 0.984 126 G CA 0.154 45.228 45.100 -0.043 0.000 0.660 126 G HN 0.849 nan 8.290 nan 0.000 0.525 127 A N -1.189 121.589 122.820 -0.070 0.000 2.597 127 A HA 0.786 5.106 4.320 -0.000 0.000 0.292 127 A C -3.131 174.420 177.584 -0.055 0.000 1.057 127 A CA -0.752 51.236 52.037 -0.083 0.000 0.674 127 A CB 0.793 19.754 19.000 -0.064 0.000 1.278 127 A HN 0.169 nan 8.150 nan 0.000 0.416 128 P HA 0.099 nan 4.420 nan 0.000 0.258 128 P C -0.305 177.059 177.300 0.106 0.000 1.172 128 P CA 0.538 63.652 63.100 0.023 0.000 0.762 128 P CB -0.157 31.559 31.700 0.027 0.000 0.764 129 F N 5.808 125.758 119.950 0.001 0.000 2.580 129 F HA -0.077 4.450 4.527 -0.000 0.000 0.398 129 F C 1.184 177.002 175.800 0.031 0.000 1.023 129 F CA 0.382 58.393 58.000 0.019 0.000 1.188 129 F CB -0.481 38.554 39.000 0.060 0.000 1.005 129 F HN 0.270 nan 8.300 nan 0.000 0.546 130 L N 3.583 124.466 121.223 -0.567 0.000 3.839 130 L HA -0.326 4.014 4.340 -0.000 0.000 0.416 130 L C 0.636 177.361 176.870 -0.241 0.000 1.195 130 L CA 0.526 55.046 54.840 -0.533 0.000 0.946 130 L CB -2.425 39.169 42.059 -0.776 0.000 1.891 130 L HN 0.709 nan 8.230 nan 0.000 0.963 131 S N -1.861 113.760 115.700 -0.132 0.000 2.645 131 S HA 0.528 4.998 4.470 -0.000 0.000 0.266 131 S C 0.338 174.892 174.600 -0.076 0.000 1.258 131 S CA -0.069 58.091 58.200 -0.067 0.000 0.990 131 S CB 2.189 65.375 63.200 -0.024 0.000 0.967 131 S HN 0.277 nan 8.310 nan 0.000 0.556 132 S N 1.407 117.078 115.700 -0.048 0.000 2.498 132 S HA 0.384 4.854 4.470 -0.000 0.000 0.324 132 S C -0.314 174.267 174.600 -0.032 0.000 1.071 132 S CA -0.800 57.375 58.200 -0.042 0.000 1.113 132 S CB -0.032 63.154 63.200 -0.023 0.000 0.976 132 S HN 0.760 nan 8.310 nan 0.000 0.462 133 M N 5.655 125.229 119.600 -0.044 0.000 2.245 133 M HA 0.291 4.770 4.480 -0.000 0.000 0.344 133 M C -0.993 175.289 176.300 -0.030 0.000 1.170 133 M CA -0.085 55.190 55.300 -0.042 0.000 1.135 133 M CB 0.551 33.115 32.600 -0.059 0.000 1.574 133 M HN 0.431 nan 8.290 nan 0.000 0.452 134 V N 4.727 124.628 119.914 -0.021 0.000 2.465 134 V HA 0.489 4.609 4.120 -0.000 0.000 0.279 134 V C 0.423 176.507 176.094 -0.016 0.000 1.045 134 V CA -0.267 62.027 62.300 -0.010 0.000 0.938 134 V CB 1.206 33.027 31.823 -0.003 0.000 0.986 134 V HN 1.015 nan 8.190 nan 0.000 0.467 135 T N -0.171 114.377 114.554 -0.010 0.000 2.838 135 T HA 0.345 4.695 4.350 -0.000 0.000 0.292 135 T C 0.285 174.987 174.700 0.003 0.000 1.113 135 T CA -0.265 61.826 62.100 -0.015 0.000 1.008 135 T CB 1.900 70.743 68.868 -0.041 0.000 1.259 135 T HN 0.627 nan 8.240 nan 0.000 0.520 136 D N -0.089 120.312 120.400 0.002 0.000 2.336 136 D HA 0.072 4.712 4.640 -0.000 0.000 0.229 136 D C 0.675 176.990 176.300 0.026 0.000 1.061 136 D CA -0.160 53.846 54.000 0.011 0.000 0.875 136 D CB -0.383 40.420 40.800 0.006 0.000 0.904 136 D HN 0.382 nan 8.370 nan 0.000 0.525 137 S N 1.814 117.538 115.700 0.039 0.000 2.544 137 S HA 0.082 4.552 4.470 -0.000 0.000 0.290 137 S C -1.114 173.539 174.600 0.089 0.000 1.276 137 S CA -0.948 57.300 58.200 0.080 0.000 1.075 137 S CB 0.983 64.269 63.200 0.142 0.000 0.849 137 S HN 0.095 nan 8.310 nan 0.000 0.494 138 P HA 0.069 nan 4.420 nan 0.000 0.225 138 P C 0.121 177.440 177.300 0.031 0.000 1.156 138 P CA 0.331 63.455 63.100 0.040 0.000 0.787 138 P CB -0.047 31.669 31.700 0.026 0.000 0.802 139 I N 1.059 121.663 120.570 0.057 0.000 2.648 139 I HA -0.022 4.148 4.170 -0.000 0.000 0.284 139 I C 1.331 177.403 176.117 -0.075 0.000 1.153 139 I CA 0.268 61.547 61.300 -0.036 0.000 1.426 139 I CB 0.223 38.207 38.000 -0.025 0.000 1.381 139 I HN -0.273 nan 8.210 nan 0.000 0.571 140 K N 6.656 126.953 120.400 -0.171 0.000 3.000 140 K HA 0.101 4.421 4.320 -0.000 0.000 0.265 140 K C -0.809 175.699 176.600 -0.154 0.000 1.260 140 K CA -0.038 56.176 56.287 -0.122 0.000 1.209 140 K CB -0.526 31.920 32.500 -0.089 0.000 1.484 140 K HN 0.367 nan 8.250 nan 0.000 0.283 141 Y N 0.489 120.778 120.300 -0.018 0.000 2.281 141 Y HA 0.363 4.913 4.550 -0.000 0.000 0.337 141 Y C 1.510 177.396 175.900 -0.022 0.000 1.304 141 Y CA 0.556 58.642 58.100 -0.023 0.000 1.465 141 Y CB 0.992 39.437 38.460 -0.026 0.000 1.350 141 Y HN 0.491 nan 8.280 nan 0.000 0.575 142 G N 0.131 109.021 108.800 0.151 0.000 2.320 142 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.274 142 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.274 142 G C -1.750 173.173 174.900 0.038 0.000 1.324 142 G CA -0.906 44.237 45.100 0.072 0.000 0.957 142 G HN 0.525 nan 8.290 nan 0.000 0.481 143 D N 0.544 120.957 120.400 0.022 0.000 2.470 143 D HA 0.430 5.070 4.640 -0.000 0.000 0.226 143 D C 1.342 177.649 176.300 0.012 0.000 1.196 143 D CA 0.156 54.163 54.000 0.012 0.000 0.979 143 D CB 0.768 41.576 40.800 0.013 0.000 1.059 143 D HN 0.249 nan 8.370 nan 0.000 0.515 144 V N 3.248 123.167 119.914 0.009 0.000 2.672 144 V HA -0.016 4.104 4.120 -0.000 0.000 0.242 144 V C 1.898 177.994 176.094 0.004 0.000 1.059 144 V CA 0.672 62.974 62.300 0.003 0.000 1.081 144 V CB -0.066 31.755 31.823 -0.004 0.000 0.752 144 V HN 0.551 nan 8.190 nan 0.000 0.472 145 M N -0.404 119.198 119.600 0.003 0.000 2.371 145 M HA 0.289 4.769 4.480 -0.000 0.000 0.246 145 M C 0.378 176.693 176.300 0.025 0.000 1.103 145 M CA 0.130 55.436 55.300 0.009 0.000 1.010 145 M CB -0.558 32.039 32.600 -0.004 0.000 1.457 145 M HN 0.375 nan 8.290 nan 0.000 0.486 146 N N 1.143 119.857 118.700 0.023 0.000 2.705 146 N HA -0.140 4.600 4.740 -0.000 0.000 0.255 146 N C 1.000 176.550 175.510 0.067 0.000 1.008 146 N CA 0.283 53.357 53.050 0.039 0.000 0.742 146 N CB -1.265 37.249 38.487 0.045 0.000 0.906 146 N HN 0.152 nan 8.380 nan 0.000 0.541 147 V N -0.311 119.629 119.914 0.042 0.000 2.255 147 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 147 V C 1.421 177.627 176.094 0.186 0.000 1.051 147 V CA 1.594 63.940 62.300 0.076 0.000 1.018 147 V CB 0.004 31.753 31.823 -0.123 0.000 0.641 147 V HN 0.399 nan 8.190 nan 0.000 0.445 148 I N 0.011 120.634 120.570 0.088 0.000 2.418 148 I HA 0.525 4.695 4.170 -0.000 0.000 0.287 148 I C -1.127 175.022 176.117 0.054 0.000 1.008 148 I CA -0.252 61.104 61.300 0.094 0.000 1.104 148 I CB 1.853 39.888 38.000 0.059 0.000 1.264 148 I HN 0.211 nan 8.210 nan 0.000 0.438 149 D N 4.614 125.048 120.400 0.056 0.000 2.706 149 D HA 0.781 5.420 4.640 -0.000 0.000 0.225 149 D C -1.616 174.722 176.300 0.064 0.000 1.241 149 D CA -0.249 53.783 54.000 0.053 0.000 0.784 149 D CB 2.265 43.099 40.800 0.058 0.000 1.521 149 D HN 0.701 nan 8.370 nan 0.000 0.461 150 A N 2.246 125.108 122.820 0.069 0.000 2.565 150 A HA 0.620 4.940 4.320 -0.000 0.000 0.298 150 A C -2.829 174.831 177.584 0.126 0.000 1.062 150 A CA -1.158 50.945 52.037 0.110 0.000 0.723 150 A CB 1.284 20.334 19.000 0.084 0.000 1.282 150 A HN 0.350 nan 8.150 nan 0.000 0.400 151 P HA 0.305 nan 4.420 nan 0.000 0.268 151 P C 1.039 178.462 177.300 0.205 0.000 1.204 151 P CA 0.516 63.709 63.100 0.155 0.000 0.768 151 P CB 1.154 32.929 31.700 0.124 0.000 0.842 152 A N 3.402 126.300 122.820 0.131 0.000 1.978 152 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 152 A C 1.113 178.812 177.584 0.192 0.000 1.170 152 A CA 1.993 54.102 52.037 0.119 0.000 0.636 152 A CB -0.981 18.063 19.000 0.072 0.000 0.810 152 A HN 0.744 nan 8.150 nan 0.000 0.448 153 T N -3.973 110.691 114.554 0.182 0.000 2.868 153 T HA 0.666 5.016 4.350 -0.000 0.000 0.306 153 T C -0.884 173.840 174.700 0.040 0.000 1.224 153 T CA -0.670 61.523 62.100 0.155 0.000 1.012 153 T CB 1.460 70.370 68.868 0.070 0.000 1.221 153 T HN 0.204 nan 8.240 nan 0.000 0.499 154 I N 1.705 122.218 120.570 -0.096 0.000 2.439 154 I HA 0.560 4.730 4.170 -0.000 0.000 0.283 154 I C 0.667 176.701 176.117 -0.139 0.000 1.023 154 I CA -1.162 60.024 61.300 -0.190 0.000 1.100 154 I CB 1.401 39.150 38.000 -0.418 0.000 1.238 154 I HN 1.031 nan 8.210 nan 0.000 0.445 155 A N 4.698 127.466 122.820 -0.086 0.000 2.366 155 A HA 0.671 4.991 4.320 -0.000 0.000 0.249 155 A C 0.690 178.233 177.584 -0.069 0.000 1.084 155 A CA -0.226 51.773 52.037 -0.063 0.000 0.794 155 A CB 0.439 19.416 19.000 -0.037 0.000 1.034 155 A HN 0.861 nan 8.150 nan 0.000 0.491 156 A N 0.046 122.842 122.820 -0.040 0.000 2.566 156 A HA 0.451 4.771 4.320 -0.000 0.000 0.245 156 A C 1.651 179.217 177.584 -0.030 0.000 1.056 156 A CA 0.958 52.987 52.037 -0.013 0.000 0.757 156 A CB -1.069 17.956 19.000 0.041 0.000 0.979 156 A HN 2.761 nan 8.150 nan 0.000 0.508 157 G N 0.816 109.590 108.800 -0.044 0.000 2.205 157 G HA2 0.131 4.091 3.960 -0.000 0.000 0.261 157 G HA3 0.131 4.091 3.960 -0.000 0.000 0.261 157 G C 0.559 175.425 174.900 -0.057 0.000 0.980 157 G CA 0.653 45.724 45.100 -0.048 0.000 0.632 157 G HN 2.201 nan 8.290 nan 0.000 0.533 158 A N -0.527 122.250 122.820 -0.072 0.000 2.269 158 A HA 0.861 5.181 4.320 -0.000 0.000 0.319 158 A C 0.252 177.778 177.584 -0.096 0.000 1.110 158 A CA 0.640 52.633 52.037 -0.073 0.000 0.847 158 A CB 1.096 20.054 19.000 -0.069 0.000 1.161 158 A HN 0.717 nan 8.150 nan 0.000 0.497 159 T N 0.543 115.051 114.554 -0.076 0.000 2.812 159 T HA 0.624 4.974 4.350 -0.000 0.000 0.282 159 T C 0.171 174.834 174.700 -0.062 0.000 0.990 159 T CA 0.035 62.088 62.100 -0.078 0.000 0.960 159 T CB 1.583 70.422 68.868 -0.049 0.000 0.948 159 T HN 1.047 nan 8.240 nan 0.000 0.438 160 G N 1.788 110.544 108.800 -0.072 0.000 2.432 160 G HA2 0.651 4.611 3.960 -0.000 0.000 0.331 160 G HA3 0.651 4.611 3.960 -0.000 0.000 0.331 160 G C -0.957 173.957 174.900 0.025 0.000 1.170 160 G CA -0.609 44.477 45.100 -0.024 0.000 0.943 160 G HN 0.484 nan 8.290 nan 0.000 0.483 161 E N 0.756 120.986 120.200 0.050 0.000 2.183 161 E HA 0.474 4.824 4.350 -0.000 0.000 0.271 161 E C -0.403 176.254 176.600 0.094 0.000 0.919 161 E CA -0.424 56.015 56.400 0.064 0.000 0.781 161 E CB 2.376 32.103 29.700 0.044 0.000 1.140 161 E HN 0.296 nan 8.360 nan 0.000 0.402 162 L N 1.044 122.333 121.223 0.110 0.000 2.370 162 L HA 0.642 4.982 4.340 -0.000 0.000 0.266 162 L C -0.134 176.789 176.870 0.089 0.000 1.002 162 L CA -0.869 54.042 54.840 0.119 0.000 0.818 162 L CB 2.076 44.237 42.059 0.169 0.000 1.325 162 L HN 0.330 nan 8.230 nan 0.000 0.418 163 T N 2.309 116.909 114.554 0.076 0.000 2.886 163 T HA 0.707 5.057 4.350 -0.000 0.000 0.292 163 T C -0.779 173.948 174.700 0.046 0.000 1.012 163 T CA -0.439 61.695 62.100 0.056 0.000 0.982 163 T CB 2.328 71.248 68.868 0.088 0.000 1.018 163 T HN 0.504 nan 8.240 nan 0.000 0.451 164 M N 2.900 122.491 119.600 -0.016 0.000 2.484 164 M HA 0.673 5.153 4.480 -0.000 0.000 0.289 164 M C -2.411 173.797 176.300 -0.153 0.000 1.206 164 M CA -0.762 54.502 55.300 -0.061 0.000 0.892 164 M CB 1.786 34.328 32.600 -0.096 0.000 1.712 164 M HN 0.643 nan 8.290 nan 0.000 0.462 165 Y N 2.420 122.663 120.300 -0.095 0.000 2.477 165 Y HA 0.696 5.246 4.550 -0.000 0.000 0.347 165 Y C -1.587 174.323 175.900 0.017 0.000 0.981 165 Y CA -0.322 57.833 58.100 0.092 0.000 1.033 165 Y CB 2.131 40.699 38.460 0.180 0.000 1.245 165 Y HN 0.620 nan 8.280 nan 0.000 0.455 166 Y N 1.495 122.082 120.300 0.477 0.000 2.442 166 Y HA 0.254 4.804 4.550 -0.000 0.000 0.344 166 Y C -0.961 175.158 175.900 0.365 0.000 0.976 166 Y CA -1.471 56.810 58.100 0.303 0.000 1.040 166 Y CB 1.918 40.438 38.460 0.101 0.000 1.228 166 Y HN 0.644 nan 8.280 nan 0.000 0.451 167 W N 5.387 126.777 121.300 0.150 0.000 2.376 167 W HA 0.659 5.318 4.660 -0.000 0.000 0.312 167 W C -1.842 174.703 176.519 0.043 0.000 1.060 167 W CA -1.012 56.412 57.345 0.132 0.000 1.221 167 W CB 1.390 30.886 29.460 0.060 0.000 1.281 167 W HN 0.303 nan 8.180 nan 0.000 0.456 168 V N 9.394 129.047 119.914 -0.434 0.000 2.334 168 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 168 V C -1.705 173.868 176.094 -0.870 0.000 1.040 168 V CA -1.572 60.450 62.300 -0.463 0.000 0.866 168 V CB 0.906 32.590 31.823 -0.231 0.000 1.019 168 V HN 0.372 nan 8.190 nan 0.000 0.468 169 P HA 0.458 nan 4.420 nan 0.000 0.284 169 P C 0.075 177.225 177.300 -0.250 0.000 1.258 169 P CA -0.385 62.495 63.100 -0.366 0.000 0.824 169 P CB 2.583 34.395 31.700 0.187 0.000 1.038 170 L N 0.701 121.845 121.223 -0.133 0.000 2.862 170 L HA 0.334 4.674 4.340 -0.000 0.000 0.169 170 L C 1.274 178.270 176.870 0.210 0.000 1.164 170 L CA 0.077 54.868 54.840 -0.083 0.000 0.858 170 L CB -0.774 41.119 42.059 -0.278 0.000 1.329 170 L HN 0.311 nan 8.230 nan 0.000 0.514 171 A N -0.871 122.047 122.820 0.163 0.000 2.445 171 A HA -0.020 4.300 4.320 -0.000 0.000 0.242 171 A C 0.532 178.287 177.584 0.285 0.000 1.075 171 A CA 0.044 52.204 52.037 0.205 0.000 0.777 171 A CB -0.025 19.057 19.000 0.137 0.000 1.013 171 A HN 0.362 nan 8.150 nan 0.000 0.493 172 Y N 2.349 122.655 120.300 0.011 0.000 2.145 172 Y HA -0.047 4.503 4.550 -0.000 0.000 0.286 172 Y C 1.357 177.227 175.900 -0.049 0.000 1.145 172 Y CA 1.829 59.768 58.100 -0.269 0.000 1.148 172 Y CB -0.018 38.308 38.460 -0.224 0.000 0.981 172 Y HN 0.892 nan 8.280 nan 0.000 0.507 173 S N -2.500 113.184 115.700 -0.025 0.000 2.790 173 S HA 0.274 4.744 4.470 -0.000 0.000 0.292 173 S C 0.476 175.066 174.600 -0.017 0.000 1.197 173 S CA -0.599 57.540 58.200 -0.102 0.000 0.851 173 S CB 1.089 64.212 63.200 -0.128 0.000 1.217 173 S HN 0.057 nan 8.310 nan 0.000 0.526 174 E N 1.010 121.170 120.200 -0.066 0.000 2.208 174 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 174 E C 1.723 178.303 176.600 -0.035 0.000 0.988 174 E CA 1.927 58.288 56.400 -0.065 0.000 0.828 174 E CB -0.327 29.307 29.700 -0.111 0.000 0.763 174 E HN 0.836 nan 8.360 nan 0.000 0.478 175 T N -2.564 111.981 114.554 -0.014 0.000 2.971 175 T HA 0.061 4.411 4.350 -0.000 0.000 0.252 175 T C 0.442 175.156 174.700 0.022 0.000 1.022 175 T CA -0.318 61.781 62.100 -0.002 0.000 0.980 175 T CB 0.422 69.287 68.868 -0.005 0.000 1.044 175 T HN -0.198 nan 8.240 nan 0.000 0.501 176 D N 1.347 121.782 120.400 0.059 0.000 2.460 176 D HA 0.302 4.942 4.640 -0.000 0.000 0.232 176 D C 0.684 177.026 176.300 0.070 0.000 1.079 176 D CA -0.768 53.277 54.000 0.075 0.000 0.864 176 D CB 0.802 41.706 40.800 0.173 0.000 1.048 176 D HN 0.213 nan 8.370 nan 0.000 0.523 177 L N 2.558 123.794 121.223 0.023 0.000 2.645 177 L HA 0.087 4.427 4.340 -0.000 0.000 0.235 177 L C 0.732 177.600 176.870 -0.002 0.000 1.150 177 L CA 0.142 54.995 54.840 0.023 0.000 0.911 177 L CB -0.491 41.573 42.059 0.009 0.000 1.077 177 L HN 0.266 nan 8.230 nan 0.000 0.438 178 T N 0.875 115.390 114.554 -0.064 0.000 2.871 178 T HA 0.242 4.592 4.350 -0.000 0.000 0.296 178 T C 1.255 175.936 174.700 -0.032 0.000 0.998 178 T CA 1.027 63.013 62.100 -0.191 0.000 1.162 178 T CB 0.910 69.445 68.868 -0.555 0.000 0.947 178 T HN 0.628 nan 8.240 nan 0.000 0.536 179 G N 1.930 110.741 108.800 0.018 0.000 2.194 179 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.236 179 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.236 179 G C 0.357 175.368 174.900 0.185 0.000 0.987 179 G CA -0.034 45.179 45.100 0.188 0.000 0.635 179 G HN 1.141 nan 8.290 nan 0.000 0.520 180 A N -0.561 122.321 122.820 0.104 0.000 2.366 180 A HA 0.685 5.005 4.320 -0.000 0.000 0.250 180 A C 0.373 177.999 177.584 0.069 0.000 1.099 180 A CA 0.720 52.793 52.037 0.060 0.000 0.794 180 A CB 0.889 19.911 19.000 0.037 0.000 1.056 180 A HN 1.203 nan 8.150 nan 0.000 0.499 181 V N 1.529 121.460 119.914 0.029 0.000 2.487 181 V HA 0.276 4.396 4.120 -0.000 0.000 0.298 181 V C -0.138 175.973 176.094 0.029 0.000 1.028 181 V CA -0.487 61.846 62.300 0.055 0.000 0.860 181 V CB 1.554 33.413 31.823 0.061 0.000 0.991 181 V HN 0.766 nan 8.190 nan 0.000 0.427 182 L N 4.795 126.033 121.223 0.025 0.000 2.325 182 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 182 L C 0.637 177.505 176.870 -0.004 0.000 1.089 182 L CA -0.148 54.684 54.840 -0.014 0.000 0.836 182 L CB 1.147 43.186 42.059 -0.034 0.000 1.184 182 L HN 0.829 nan 8.230 nan 0.000 0.444 183 A N 3.917 126.726 122.820 -0.018 0.000 3.154 183 A HA 0.213 4.533 4.320 -0.000 0.000 0.310 183 A C 0.375 177.938 177.584 -0.034 0.000 1.093 183 A CA -0.598 51.433 52.037 -0.011 0.000 1.006 183 A CB -0.541 18.461 19.000 0.004 0.000 1.084 183 A HN 0.815 nan 8.150 nan 0.000 0.549 184 N N -0.173 118.504 118.700 -0.039 0.000 2.273 184 N HA 0.045 4.785 4.740 -0.000 0.000 0.231 184 N C -0.010 175.495 175.510 -0.008 0.000 1.134 184 N CA 0.292 53.322 53.050 -0.033 0.000 0.856 184 N CB -0.062 38.386 38.487 -0.065 0.000 1.068 184 N HN 0.354 nan 8.380 nan 0.000 0.510 185 V N -1.474 118.438 119.914 -0.005 0.000 2.125 185 V HA 0.467 4.587 4.120 -0.000 0.000 0.263 185 V C -2.408 173.688 176.094 0.004 0.000 1.365 185 V CA -2.082 60.221 62.300 0.004 0.000 1.276 185 V CB -0.675 31.152 31.823 0.008 0.000 1.350 185 V HN -0.032 nan 8.190 nan 0.000 0.487 186 P HA 0.248 nan 4.420 nan 0.000 0.265 186 P C 0.728 178.029 177.300 0.002 0.000 1.187 186 P CA 1.971 65.073 63.100 0.004 0.000 0.766 186 P CB 1.000 32.706 31.700 0.009 0.000 0.820 187 Q N -0.008 119.790 119.800 -0.003 0.000 3.367 187 Q HA -0.181 4.159 4.340 -0.000 0.000 0.180 187 Q C 0.346 176.338 176.000 -0.013 0.000 1.072 187 Q CA 1.559 57.358 55.803 -0.007 0.000 1.061 187 Q CB -2.983 25.753 28.738 -0.004 0.000 0.903 187 Q HN 0.638 nan 8.270 nan 0.000 1.058 188 S N 1.816 117.510 115.700 -0.011 0.000 2.532 188 S HA 0.566 5.036 4.470 -0.000 0.000 0.318 188 S C -0.110 174.478 174.600 -0.019 0.000 1.083 188 S CA -0.242 57.948 58.200 -0.017 0.000 1.131 188 S CB 1.172 64.367 63.200 -0.008 0.000 0.973 188 S HN 0.903 nan 8.310 nan 0.000 0.468 189 K N 2.309 122.689 120.400 -0.032 0.000 2.087 189 K HA 0.492 4.812 4.320 -0.000 0.000 0.255 189 K C -0.203 176.363 176.600 -0.057 0.000 0.988 189 K CA -0.834 55.432 56.287 -0.034 0.000 0.915 189 K CB 0.675 33.152 32.500 -0.038 0.000 1.043 189 K HN 0.451 nan 8.250 nan 0.000 0.457 190 Q N 0.353 120.124 119.800 -0.049 0.000 2.185 190 Q HA 0.353 4.693 4.340 -0.000 0.000 0.225 190 Q C -0.713 175.188 176.000 -0.164 0.000 0.983 190 Q CA -1.017 54.715 55.803 -0.118 0.000 0.950 190 Q CB 1.198 29.936 28.738 0.001 0.000 1.176 190 Q HN 0.599 nan 8.270 nan 0.000 0.510 191 R N 0.651 120.978 120.500 -0.288 0.000 2.508 191 R HA 0.397 4.737 4.340 -0.000 0.000 0.283 191 R C -2.217 173.943 176.300 -0.233 0.000 1.120 191 R CA -0.645 55.328 56.100 -0.211 0.000 0.958 191 R CB 0.932 31.125 30.300 -0.178 0.000 1.215 191 R HN 0.533 nan 8.270 nan 0.000 0.427 192 L N 4.058 125.159 121.223 -0.204 0.000 2.318 192 L HA 0.495 4.835 4.340 -0.000 0.000 0.277 192 L C -0.998 175.762 176.870 -0.185 0.000 1.008 192 L CA -0.235 54.476 54.840 -0.216 0.000 0.846 192 L CB 1.235 43.029 42.059 -0.441 0.000 1.220 192 L HN 0.593 nan 8.230 nan 0.000 0.423 193 K N 4.824 125.143 120.400 -0.135 0.000 2.227 193 K HA 0.612 4.932 4.320 -0.000 0.000 0.280 193 K C -1.290 175.177 176.600 -0.221 0.000 1.041 193 K CA -0.209 55.999 56.287 -0.132 0.000 0.905 193 K CB 0.721 33.185 32.500 -0.059 0.000 1.068 193 K HN 0.620 nan 8.250 nan 0.000 0.470 194 L N 4.089 125.154 121.223 -0.264 0.000 2.325 194 L HA 0.382 4.722 4.340 -0.000 0.000 0.281 194 L C -0.501 176.121 176.870 -0.413 0.000 1.004 194 L CA -0.586 53.968 54.840 -0.477 0.000 0.823 194 L CB 1.782 43.424 42.059 -0.695 0.000 1.236 194 L HN 0.569 nan 8.230 nan 0.000 0.415 195 E N 3.765 123.699 120.200 -0.443 0.000 2.114 195 E HA 0.396 4.746 4.350 -0.000 0.000 0.266 195 E C -1.110 175.308 176.600 -0.303 0.000 0.896 195 E CA -0.491 55.766 56.400 -0.238 0.000 0.750 195 E CB 1.560 31.172 29.700 -0.147 0.000 1.121 195 E HN 0.252 nan 8.360 nan 0.000 0.413 196 F N 1.331 121.301 119.950 0.034 0.000 2.370 196 F HA 0.392 4.919 4.527 -0.000 0.000 0.319 196 F C 1.155 176.973 175.800 0.031 0.000 1.129 196 F CA -0.661 57.372 58.000 0.055 0.000 1.109 196 F CB 0.602 39.713 39.000 0.185 0.000 1.262 196 F HN 0.408 nan 8.300 nan 0.000 0.534 197 A N 1.560 124.518 122.820 0.229 0.000 2.386 197 A HA 0.448 4.768 4.320 -0.000 0.000 0.246 197 A C -0.262 177.366 177.584 0.074 0.000 1.089 197 A CA -0.219 51.912 52.037 0.157 0.000 0.790 197 A CB -0.059 19.086 19.000 0.242 0.000 1.042 197 A HN 0.864 nan 8.150 nan 0.000 0.497 198 N N -0.903 117.914 118.700 0.195 0.000 3.157 198 N HA 0.218 4.958 4.740 -0.000 0.000 0.291 198 N C -0.109 175.656 175.510 0.425 0.000 1.515 198 N CA -0.775 52.427 53.050 0.253 0.000 0.807 198 N CB 0.082 38.681 38.487 0.186 0.000 1.672 198 N HN 0.277 nan 8.380 nan 0.000 0.592 199 N N -0.127 118.849 118.700 0.460 0.000 2.289 199 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 199 N C 0.588 176.279 175.510 0.302 0.000 1.016 199 N CA 1.065 54.398 53.050 0.471 0.000 0.872 199 N CB -0.592 38.151 38.487 0.427 0.000 0.973 199 N HN 0.594 nan 8.380 nan 0.000 0.433 200 N N -0.631 118.194 118.700 0.208 0.000 2.207 200 N HA -0.094 4.646 4.740 -0.000 0.000 0.182 200 N C 1.787 177.356 175.510 0.099 0.000 1.020 200 N CA 1.578 54.717 53.050 0.150 0.000 0.858 200 N CB -0.095 38.465 38.487 0.121 0.000 0.991 200 N HN 0.333 nan 8.380 nan 0.000 0.427 201 T N -1.690 112.912 114.554 0.081 0.000 2.942 201 T HA 0.181 4.531 4.350 -0.000 0.000 0.265 201 T C 1.877 176.551 174.700 -0.044 0.000 1.062 201 T CA 0.662 62.790 62.100 0.047 0.000 1.139 201 T CB -0.122 68.794 68.868 0.080 0.000 0.883 201 T HN 0.136 nan 8.240 nan 0.000 0.468 202 A N 0.548 123.247 122.820 -0.202 0.000 2.067 202 A HA 0.422 4.742 4.320 -0.000 0.000 0.217 202 A C 0.241 177.348 177.584 -0.795 0.000 1.156 202 A CA 0.086 51.785 52.037 -0.563 0.000 0.683 202 A CB -0.393 18.102 19.000 -0.841 0.000 0.808 202 A HN 0.528 nan 8.150 nan 0.000 0.455 203 F N -0.501 119.505 119.950 0.093 0.000 2.449 203 F HA 0.672 5.199 4.527 0.000 0.000 0.342 203 F C 0.289 176.121 175.800 0.053 0.000 1.127 203 F CA -1.461 56.578 58.000 0.065 0.000 0.975 203 F CB 1.433 40.450 39.000 0.029 0.000 1.146 203 F HN 0.079 nan 8.300 nan 0.000 0.444 204 A N 2.084 125.014 122.820 0.182 0.000 2.304 204 A HA 0.863 5.183 4.320 -0.000 0.000 0.323 204 A C -0.104 177.536 177.584 0.093 0.000 1.195 204 A CA -0.562 51.538 52.037 0.105 0.000 0.826 204 A CB 0.601 19.631 19.000 0.050 0.000 1.184 204 A HN 0.954 nan 8.150 nan 0.000 0.496 205 A N 1.715 124.577 122.820 0.070 0.000 2.346 205 A HA 0.519 4.839 4.320 -0.000 0.000 0.252 205 A C 0.455 178.055 177.584 0.028 0.000 1.089 205 A CA -0.268 51.796 52.037 0.044 0.000 0.797 205 A CB -0.027 18.997 19.000 0.040 0.000 1.047 205 A HN 1.170 nan 8.150 nan 0.000 0.494 206 V N 1.130 121.051 119.914 0.012 0.000 2.788 206 V HA 0.373 4.493 4.120 -0.000 0.000 0.307 206 V C 1.732 177.831 176.094 0.008 0.000 1.069 206 V CA 1.850 64.153 62.300 0.006 0.000 1.173 206 V CB 0.193 32.013 31.823 -0.005 0.000 0.925 206 V HN 1.967 nan 8.190 nan 0.000 0.492 207 G N 3.189 111.993 108.800 0.006 0.000 2.267 207 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.257 207 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.257 207 G C 0.461 175.364 174.900 0.006 0.000 0.998 207 G CA 0.348 45.450 45.100 0.003 0.000 0.620 207 G HN 1.520 nan 8.290 nan 0.000 0.529 208 A N -0.129 122.701 122.820 0.016 0.000 2.287 208 A HA 0.636 4.956 4.320 -0.000 0.000 0.273 208 A C 0.527 178.125 177.584 0.023 0.000 1.091 208 A CA 0.236 52.285 52.037 0.021 0.000 0.817 208 A CB 0.339 19.358 19.000 0.032 0.000 1.069 208 A HN 0.587 nan 8.150 nan 0.000 0.492 209 N N 1.066 119.782 118.700 0.028 0.000 2.431 209 N HA 0.155 4.895 4.740 -0.000 0.000 0.265 209 N C -1.766 173.764 175.510 0.033 0.000 1.184 209 N CA -1.533 51.547 53.050 0.050 0.000 0.943 209 N CB 0.957 39.473 38.487 0.049 0.000 1.080 209 N HN 0.318 nan 8.380 nan 0.000 0.477 210 P HA -0.014 nan 4.420 nan 0.000 0.249 210 P C 1.518 178.643 177.300 -0.292 0.000 1.229 210 P CA -0.126 62.904 63.100 -0.117 0.000 0.788 210 P CB 0.400 32.011 31.700 -0.148 0.000 1.072 211 L N 1.334 122.402 121.223 -0.257 0.000 2.010 211 L HA -0.198 4.142 4.340 -0.000 0.000 0.219 211 L C 1.752 178.417 176.870 -0.342 0.000 1.077 211 L CA 2.187 56.753 54.840 -0.456 0.000 0.773 211 L CB -0.773 41.242 42.059 -0.074 0.000 0.892 211 L HN -0.099 nan 8.230 nan 0.000 0.436 212 E N -0.258 119.894 120.200 -0.080 0.000 2.481 212 E HA 0.303 4.653 4.350 -0.000 0.000 0.198 212 E C 0.707 177.326 176.600 0.032 0.000 1.027 212 E CA 0.573 57.012 56.400 0.065 0.000 0.900 212 E CB 0.032 29.806 29.700 0.122 0.000 0.993 212 E HN 0.565 nan 8.360 nan 0.000 0.482 213 A N 0.834 123.624 122.820 -0.050 0.000 2.271 213 A HA 0.473 4.793 4.320 -0.000 0.000 0.288 213 A C 1.124 178.662 177.584 -0.077 0.000 1.094 213 A CA -0.384 51.616 52.037 -0.061 0.000 0.828 213 A CB 0.459 19.429 19.000 -0.050 0.000 1.091 213 A HN 0.048 nan 8.150 nan 0.000 0.493 214 I N -1.496 119.016 120.570 -0.096 0.000 3.172 214 I HA 0.121 4.291 4.170 -0.000 0.000 0.278 214 I C -0.416 175.503 176.117 -0.329 0.000 1.174 214 I CA 0.634 61.843 61.300 -0.152 0.000 1.445 214 I CB 0.001 37.968 38.000 -0.055 0.000 1.175 214 I HN 0.571 nan 8.210 nan 0.000 0.447 215 Y N 0.452 120.777 120.300 0.043 0.000 2.512 215 Y HA 0.568 5.118 4.550 -0.000 0.000 0.348 215 Y C -0.285 175.678 175.900 0.105 0.000 0.990 215 Y CA -0.798 57.367 58.100 0.109 0.000 1.033 215 Y CB 1.752 40.343 38.460 0.217 0.000 1.259 215 Y HN -0.071 nan 8.280 nan 0.000 0.461 216 Q N 1.484 121.409 119.800 0.210 0.000 2.331 216 Q HA 0.766 5.106 4.340 -0.000 0.000 0.272 216 Q C -0.955 175.100 176.000 0.093 0.000 1.062 216 Q CA -0.633 55.242 55.803 0.121 0.000 0.806 216 Q CB 2.545 31.309 28.738 0.044 0.000 1.312 216 Q HN 0.972 nan 8.270 nan 0.000 0.431 217 G N 0.467 109.297 108.800 0.050 0.000 2.321 217 G HA2 0.361 4.321 3.960 -0.000 0.000 0.298 217 G HA3 0.361 4.321 3.960 -0.000 0.000 0.298 217 G C -0.285 174.582 174.900 -0.055 0.000 1.385 217 G CA -0.140 44.959 45.100 -0.002 0.000 0.856 217 G HN 0.691 nan 8.290 nan 0.000 0.584 218 A N -0.837 121.920 122.820 -0.105 0.000 2.125 218 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 218 A C 2.221 179.575 177.584 -0.382 0.000 1.156 218 A CA 2.666 54.595 52.037 -0.180 0.000 0.671 218 A CB -0.412 18.485 19.000 -0.171 0.000 0.794 218 A HN 1.970 nan 8.150 nan 0.000 0.459 219 G N -1.714 106.859 108.800 -0.378 0.000 3.189 219 G HA2 0.336 4.296 3.960 -0.000 0.000 0.225 219 G HA3 0.336 4.296 3.960 -0.000 0.000 0.225 219 G C 1.301 176.094 174.900 -0.178 0.000 1.159 219 G CA 0.848 45.667 45.100 -0.468 0.000 0.763 219 G HN 0.604 nan 8.290 nan 0.000 0.549 220 A N 1.528 124.286 122.820 -0.104 0.000 1.892 220 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 220 A C 2.779 180.351 177.584 -0.020 0.000 1.188 220 A CA 2.320 54.342 52.037 -0.026 0.000 0.631 220 A CB -0.785 18.263 19.000 0.080 0.000 0.822 220 A HN 0.821 nan 8.150 nan 0.000 0.447 221 A N -0.705 122.131 122.820 0.027 0.000 2.032 221 A HA -0.173 4.146 4.320 -0.000 0.000 0.221 221 A C 1.362 178.955 177.584 0.014 0.000 1.165 221 A CA 1.818 53.886 52.037 0.050 0.000 0.645 221 A CB -0.367 18.677 19.000 0.074 0.000 0.807 221 A HN 0.485 nan 8.150 nan 0.000 0.453 222 D N -1.164 119.235 120.400 -0.003 0.000 2.388 222 D HA 0.195 4.835 4.640 -0.000 0.000 0.221 222 D C -0.498 175.690 176.300 -0.187 0.000 1.133 222 D CA -0.030 53.940 54.000 -0.050 0.000 0.831 222 D CB -0.122 40.683 40.800 0.008 0.000 0.962 222 D HN 0.276 nan 8.370 nan 0.000 0.502 223 C N 1.137 120.210 119.300 -0.379 0.000 2.401 223 C HA 0.473 4.933 4.460 -0.000 0.000 0.365 223 C C 0.581 175.146 174.990 -0.708 0.000 1.250 223 C CA -0.510 58.039 59.018 -0.783 0.000 2.131 223 C CB 0.777 27.582 27.740 -1.557 0.000 2.445 223 C HN 0.211 nan 8.230 nan 0.000 0.550 224 E N 0.806 120.706 120.200 -0.501 0.000 2.366 224 E HA 0.380 4.730 4.350 -0.000 0.000 0.278 224 E C -1.402 175.189 176.600 -0.015 0.000 0.923 224 E CA -0.565 55.771 56.400 -0.105 0.000 0.761 224 E CB 1.535 31.232 29.700 -0.005 0.000 1.231 224 E HN 0.434 nan 8.360 nan 0.000 0.443 225 F N 1.875 121.964 119.950 0.231 0.000 2.471 225 F HA 0.055 4.582 4.527 0.000 0.000 0.353 225 F C 1.776 177.612 175.800 0.061 0.000 1.113 225 F CA 0.345 58.445 58.000 0.167 0.000 1.262 225 F CB 0.723 39.813 39.000 0.149 0.000 1.146 225 F HN 0.495 nan 8.300 nan 0.000 0.578 226 E N 1.307 121.636 120.200 0.215 0.000 2.251 226 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 226 E C -0.148 176.493 176.600 0.068 0.000 0.964 226 E CA 0.628 57.087 56.400 0.099 0.000 0.868 226 E CB 0.288 30.015 29.700 0.045 0.000 0.828 226 E HN 0.815 nan 8.360 nan 0.000 0.481 227 E N -0.849 119.391 120.200 0.066 0.000 2.398 227 E HA 0.471 4.821 4.350 -0.000 0.000 0.280 227 E C -1.159 175.295 176.600 -0.244 0.000 1.122 227 E CA -0.502 55.821 56.400 -0.129 0.000 0.873 227 E CB 0.673 30.285 29.700 -0.147 0.000 1.294 227 E HN -0.117 nan 8.360 nan 0.000 0.435 228 I N 1.025 121.191 120.570 -0.675 0.000 2.769 228 I HA 0.652 4.822 4.170 -0.000 0.000 0.298 228 I C -1.022 174.522 176.117 -0.955 0.000 1.128 228 I CA -0.880 59.940 61.300 -0.799 0.000 1.031 228 I CB 2.283 39.588 38.000 -1.159 0.000 1.235 228 I HN 0.686 nan 8.210 nan 0.000 0.423 229 S N 4.363 119.737 115.700 -0.543 0.000 2.564 229 S HA 0.776 5.246 4.470 -0.000 0.000 0.274 229 S C -1.528 172.948 174.600 -0.206 0.000 1.124 229 S CA -0.506 57.441 58.200 -0.422 0.000 0.869 229 S CB 1.884 64.912 63.200 -0.287 0.000 1.105 229 S HN 0.560 nan 8.310 nan 0.000 0.472 230 Y N -0.576 119.628 120.300 -0.159 0.000 2.553 230 Y HA 0.853 5.403 4.550 -0.000 0.000 0.347 230 Y C -0.909 174.965 175.900 -0.042 0.000 1.019 230 Y CA -0.928 57.149 58.100 -0.038 0.000 1.032 230 Y CB 1.495 40.027 38.460 0.119 0.000 1.284 230 Y HN 0.576 nan 8.280 nan 0.000 0.466 231 T N 2.834 117.503 114.554 0.192 0.000 2.937 231 T HA 0.525 4.875 4.350 -0.000 0.000 0.297 231 T C -1.348 173.434 174.700 0.136 0.000 0.991 231 T CA -0.644 61.487 62.100 0.051 0.000 0.990 231 T CB 1.346 70.184 68.868 -0.049 0.000 0.991 231 T HN 0.622 nan 8.240 nan 0.000 0.440 232 V N 4.084 124.057 119.914 0.099 0.000 2.435 232 V HA 0.490 4.610 4.120 -0.000 0.000 0.290 232 V C -1.130 174.979 176.094 0.025 0.000 1.030 232 V CA -0.754 61.637 62.300 0.152 0.000 0.881 232 V CB 0.877 32.791 31.823 0.152 0.000 0.983 232 V HN 0.804 nan 8.190 nan 0.000 0.445 233 Y N 2.918 123.409 120.300 0.319 0.000 2.341 233 Y HA 0.489 5.039 4.550 -0.000 0.000 0.338 233 Y C 0.253 176.356 175.900 0.338 0.000 0.965 233 Y CA -0.402 57.879 58.100 0.302 0.000 1.108 233 Y CB 1.746 40.376 38.460 0.283 0.000 1.180 233 Y HN 0.577 nan 8.280 nan 0.000 0.458 234 Q N 2.312 122.380 119.800 0.446 0.000 2.290 234 Q HA 0.460 4.800 4.340 -0.000 0.000 0.259 234 Q C -0.850 175.303 176.000 0.255 0.000 0.941 234 Q CA -0.557 55.400 55.803 0.257 0.000 0.912 234 Q CB 1.303 30.235 28.738 0.323 0.000 1.244 234 Q HN 0.662 nan 8.270 nan 0.000 0.441 235 S N 4.422 120.173 115.700 0.086 0.000 2.442 235 S HA 0.633 5.103 4.470 -0.000 0.000 0.297 235 S C -1.315 173.366 174.600 0.135 0.000 1.131 235 S CA -0.350 57.934 58.200 0.141 0.000 1.092 235 S CB 0.285 63.671 63.200 0.310 0.000 0.998 235 S HN 0.576 nan 8.310 nan 0.000 0.478 236 Y N 1.974 122.271 120.300 -0.004 0.000 2.744 236 Y HA 0.707 5.257 4.550 -0.000 0.000 0.330 236 Y C -1.906 173.996 175.900 0.002 0.000 1.263 236 Y CA -1.578 56.510 58.100 -0.021 0.000 1.065 236 Y CB 0.782 39.229 38.460 -0.022 0.000 1.306 236 Y HN 0.442 nan 8.280 nan 0.000 0.459 237 L N 2.310 123.648 121.223 0.191 0.000 2.313 237 L HA 0.506 4.846 4.340 -0.000 0.000 0.283 237 L C -0.951 176.056 176.870 0.229 0.000 1.013 237 L CA -0.575 54.321 54.840 0.094 0.000 0.816 237 L CB 1.456 43.548 42.059 0.055 0.000 1.236 237 L HN 0.650 nan 8.230 nan 0.000 0.419 238 D N 1.228 121.736 120.400 0.180 0.000 2.392 238 D HA 0.273 4.913 4.640 -0.000 0.000 0.246 238 D C -0.476 175.933 176.300 0.181 0.000 1.013 238 D CA -0.124 54.018 54.000 0.236 0.000 0.993 238 D CB 1.416 42.370 40.800 0.257 0.000 1.219 238 D HN 0.428 nan 8.370 nan 0.000 0.538 239 Q N 0.086 119.992 119.800 0.177 0.000 2.459 239 Q HA -0.179 4.161 4.340 -0.000 0.000 0.322 239 Q C -0.568 175.534 176.000 0.171 0.000 1.427 239 Q CA 0.130 56.028 55.803 0.158 0.000 0.861 239 Q CB -1.221 27.596 28.738 0.133 0.000 1.137 239 Q HN 0.404 nan 8.270 nan 0.000 0.394 240 L N 2.084 123.436 121.223 0.216 0.000 2.455 240 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 240 L C -1.294 175.760 176.870 0.306 0.000 1.174 240 L CA -1.503 53.478 54.840 0.235 0.000 0.869 240 L CB -0.236 41.912 42.059 0.149 0.000 1.130 240 L HN 0.076 nan 8.230 nan 0.000 0.474 241 P HA 0.034 nan 4.420 nan 0.000 0.265 241 P C -0.746 176.657 177.300 0.171 0.000 1.193 241 P CA 0.006 63.196 63.100 0.150 0.000 0.765 241 P CB 0.998 32.761 31.700 0.105 0.000 0.823 242 V N 2.612 122.545 119.914 0.032 0.000 2.656 242 V HA 0.603 4.722 4.120 -0.000 0.000 0.307 242 V C 0.913 176.976 176.094 -0.051 0.000 1.051 242 V CA 0.093 62.338 62.300 -0.091 0.000 0.893 242 V CB 1.708 33.349 31.823 -0.304 0.000 0.999 242 V HN 0.837 nan 8.190 nan 0.000 0.426 243 G N 2.457 111.235 108.800 -0.036 0.000 2.542 243 G HA2 0.500 4.460 3.960 -0.000 0.000 0.208 243 G HA3 0.500 4.460 3.960 -0.000 0.000 0.208 243 G C -0.271 174.609 174.900 -0.033 0.000 1.976 243 G CA 0.263 45.351 45.100 -0.019 0.000 0.722 243 G HN 0.530 nan 8.290 nan 0.000 0.798 248 I N 6.031 126.739 120.570 0.230 0.000 2.421 248 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 248 I C -0.213 175.965 176.117 0.102 0.000 1.089 248 I CA -0.127 61.249 61.300 0.127 0.000 1.354 248 I CB -0.402 37.652 38.000 0.091 0.000 1.413 248 I HN 0.411 nan 8.210 nan 0.000 0.513 249 L N 8.420 129.683 121.223 0.065 0.000 2.436 249 L HA 0.447 4.787 4.340 -0.000 0.000 0.268 249 L C -2.417 174.461 176.870 0.014 0.000 0.974 249 L CA -1.700 53.155 54.840 0.026 0.000 0.826 249 L CB 2.825 44.888 42.059 0.006 0.000 1.291 249 L HN 0.332 nan 8.230 nan 0.000 0.406 250 P HA 0.165 nan 4.420 nan 0.000 0.268 250 P C 0.712 178.002 177.300 -0.016 0.000 1.541 250 P CA -0.218 62.876 63.100 -0.010 0.000 1.093 250 P CB 0.646 32.335 31.700 -0.018 0.000 1.551 251 L N 2.536 123.753 121.223 -0.010 0.000 2.131 251 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 251 L C 2.320 179.176 176.870 -0.023 0.000 1.092 251 L CA 1.329 56.163 54.840 -0.010 0.000 0.759 251 L CB -0.514 41.544 42.059 -0.002 0.000 0.903 251 L HN 0.269 nan 8.230 nan 0.000 0.435 252 I N -0.631 119.916 120.570 -0.038 0.000 2.286 252 I HA -0.223 3.946 4.170 -0.000 0.000 0.245 252 I C 2.063 178.130 176.117 -0.083 0.000 1.104 252 I CA 0.902 62.165 61.300 -0.061 0.000 1.397 252 I CB -0.365 37.590 38.000 -0.076 0.000 1.072 252 I HN 0.182 nan 8.210 nan 0.000 0.417 253 D N 1.340 121.691 120.400 -0.083 0.000 2.103 253 D HA -0.177 4.463 4.640 -0.000 0.000 0.190 253 D C 2.171 178.440 176.300 -0.051 0.000 0.997 253 D CA 1.496 55.441 54.000 -0.092 0.000 0.833 253 D CB -0.413 40.350 40.800 -0.062 0.000 0.961 253 D HN 0.247 nan 8.370 nan 0.000 0.447 254 L N 0.332 121.542 121.223 -0.021 0.000 2.549 254 L HA -0.036 4.304 4.340 -0.000 0.000 0.229 254 L C 1.649 178.533 176.870 0.023 0.000 1.158 254 L CA 0.822 55.668 54.840 0.010 0.000 0.842 254 L CB -0.304 41.759 42.059 0.006 0.000 0.952 254 L HN 0.052 nan 8.230 nan 0.000 0.452 255 S N -3.339 112.360 115.700 -0.001 0.000 2.629 255 S HA 0.152 4.622 4.470 -0.000 0.000 0.236 255 S C 0.573 175.164 174.600 -0.015 0.000 1.010 255 S CA -0.559 57.643 58.200 0.003 0.000 0.981 255 S CB 0.170 63.369 63.200 -0.001 0.000 0.919 255 S HN 0.102 nan 8.310 nan 0.000 0.514 256 T N 2.926 117.458 114.554 -0.036 0.000 2.895 256 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 256 T C -0.524 174.163 174.700 -0.020 0.000 1.014 256 T CA -0.569 61.494 62.100 -0.060 0.000 1.037 256 T CB 1.279 70.041 68.868 -0.176 0.000 1.006 256 T HN 0.255 nan 8.240 nan 0.000 0.468 257 L N 2.884 124.093 121.223 -0.023 0.000 2.309 257 L HA 0.491 4.831 4.340 -0.000 0.000 0.282 257 L C -0.990 175.953 176.870 0.122 0.000 1.036 257 L CA -1.143 53.646 54.840 -0.084 0.000 0.806 257 L CB 0.836 42.726 42.059 -0.282 0.000 1.220 257 L HN 0.614 nan 8.230 nan 0.000 0.429 258 Y N 4.043 124.379 120.300 0.059 0.000 2.388 258 Y HA 0.489 5.039 4.550 -0.000 0.000 0.328 258 Y C -0.913 174.917 175.900 -0.116 0.000 0.963 258 Y CA -1.202 56.988 58.100 0.151 0.000 1.240 258 Y CB 0.601 39.289 38.460 0.379 0.000 1.118 258 Y HN 0.531 nan 8.280 nan 0.000 0.484 259 N N 5.922 124.171 118.700 -0.750 0.000 2.328 259 N HA 0.587 5.327 4.740 -0.000 0.000 0.299 259 N C -1.482 173.511 175.510 -0.863 0.000 1.179 259 N CA -0.635 51.900 53.050 -0.858 0.000 0.793 259 N CB 2.361 40.318 38.487 -0.883 0.000 1.366 259 N HN 0.562 nan 8.380 nan 0.000 0.493 260 L N 0.429 121.352 121.223 -0.501 0.000 2.362 260 L HA 0.608 4.948 4.340 -0.000 0.000 0.271 260 L C -0.061 176.799 176.870 -0.017 0.000 1.002 260 L CA -0.569 54.157 54.840 -0.191 0.000 0.818 260 L CB 1.883 43.802 42.059 -0.233 0.000 1.298 260 L HN 0.408 nan 8.230 nan 0.000 0.420 261 E N 1.968 122.292 120.200 0.207 0.000 2.412 261 E HA 0.364 4.713 4.350 -0.000 0.000 0.279 261 E C -1.665 175.001 176.600 0.110 0.000 0.984 261 E CA -0.846 55.658 56.400 0.174 0.000 0.788 261 E CB 3.112 32.976 29.700 0.274 0.000 1.277 261 E HN 0.700 nan 8.360 nan 0.000 0.455 262 N N -0.213 118.496 118.700 0.014 0.000 2.455 262 N HA 0.563 5.303 4.740 -0.000 0.000 0.278 262 N C -1.313 174.219 175.510 0.037 0.000 1.291 262 N CA -0.661 52.334 53.050 -0.093 0.000 0.780 262 N CB 1.912 40.215 38.487 -0.307 0.000 1.520 262 N HN 0.471 nan 8.380 nan 0.000 0.486 263 S N -1.457 114.278 115.700 0.058 0.000 2.625 263 S HA 0.899 5.369 4.470 -0.000 0.000 0.271 263 S C -1.398 173.270 174.600 0.114 0.000 1.161 263 S CA -0.915 57.349 58.200 0.106 0.000 0.820 263 S CB 1.236 64.525 63.200 0.147 0.000 1.137 263 S HN 1.057 nan 8.310 nan 0.000 0.470 264 A N 0.951 123.845 122.820 0.123 0.000 2.355 264 A HA 0.853 5.172 4.320 -0.000 0.000 0.324 264 A C -1.040 176.624 177.584 0.134 0.000 1.117 264 A CA -0.716 51.401 52.037 0.133 0.000 0.785 264 A CB 1.316 20.395 19.000 0.131 0.000 1.254 264 A HN 0.683 nan 8.150 nan 0.000 0.453 265 Q N 0.027 119.924 119.800 0.162 0.000 2.331 265 Q HA 0.685 5.025 4.340 -0.000 0.000 0.272 265 Q C -0.764 175.370 176.000 0.224 0.000 1.062 265 Q CA -0.500 55.445 55.803 0.237 0.000 0.806 265 Q CB 2.242 31.191 28.738 0.353 0.000 1.312 265 Q HN 1.005 nan 8.270 nan 0.000 0.431 266 A N -0.272 122.684 122.820 0.227 0.000 2.430 266 A HA 0.926 5.246 4.320 -0.000 0.000 0.300 266 A C 0.444 178.145 177.584 0.195 0.000 1.124 266 A CA -0.087 52.004 52.037 0.090 0.000 0.766 266 A CB 1.518 20.552 19.000 0.055 0.000 1.328 266 A HN 1.013 nan 8.150 nan 0.000 0.424 267 G N -0.811 108.009 108.800 0.034 0.000 2.155 267 G HA2 -0.000 3.959 3.960 -0.000 0.000 0.130 267 G HA3 -0.000 3.959 3.960 -0.000 0.000 0.130 267 G C -0.329 174.602 174.900 0.052 0.000 1.027 267 G CA -0.185 45.010 45.100 0.159 0.000 0.705 267 G HN 0.726 nan 8.290 nan 0.000 0.496 268 L N 2.144 123.161 121.223 -0.342 0.000 2.410 268 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 268 L C 0.526 177.321 176.870 -0.125 0.000 1.152 268 L CA 0.632 55.242 54.840 -0.384 0.000 0.855 268 L CB 1.189 42.899 42.059 -0.582 0.000 1.129 268 L HN 0.151 nan 8.230 nan 0.000 0.463 269 T N 3.270 117.786 114.554 -0.064 0.000 2.886 269 T HA 0.381 4.731 4.350 -0.000 0.000 0.292 269 T C -2.595 172.077 174.700 -0.046 0.000 1.012 269 T CA -1.543 60.537 62.100 -0.034 0.000 0.982 269 T CB 1.806 70.671 68.868 -0.004 0.000 1.018 269 T HN 0.211 nan 8.240 nan 0.000 0.451 270 P HA 0.051 nan 4.420 nan 0.000 0.258 270 P C 0.371 177.645 177.300 -0.043 0.000 1.172 270 P CA 0.552 63.628 63.100 -0.039 0.000 0.762 270 P CB 0.071 31.757 31.700 -0.023 0.000 0.764 271 N N -0.432 118.228 118.700 -0.067 0.000 2.828 271 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 271 N C -0.566 174.911 175.510 -0.055 0.000 1.044 271 N CA 0.739 53.751 53.050 -0.063 0.000 0.851 271 N CB -1.638 36.833 38.487 -0.027 0.000 1.136 271 N HN 0.193 nan 8.380 nan 0.000 0.572 272 V N 1.061 120.939 119.914 -0.058 0.000 2.513 272 V HA 0.246 4.366 4.120 -0.000 0.000 0.299 272 V C 0.201 176.268 176.094 -0.045 0.000 1.035 272 V CA -0.813 61.469 62.300 -0.030 0.000 0.889 272 V CB 2.018 33.841 31.823 -0.001 0.000 0.988 272 V HN -0.052 nan 8.190 nan 0.000 0.440 273 D N 3.397 123.779 120.400 -0.030 0.000 2.389 273 D HA 0.090 4.730 4.640 -0.000 0.000 0.263 273 D C -0.495 175.808 176.300 0.005 0.000 1.255 273 D CA 0.470 54.447 54.000 -0.039 0.000 0.914 273 D CB 0.205 41.008 40.800 0.004 0.000 1.116 273 D HN 0.366 nan 8.370 nan 0.000 0.502 274 F N 3.899 123.748 119.950 -0.169 0.000 2.390 274 F HA 0.282 4.809 4.527 -0.000 0.000 0.361 274 F C -0.551 175.184 175.800 -0.109 0.000 1.124 274 F CA -0.681 57.236 58.000 -0.139 0.000 1.149 274 F CB 0.595 39.483 39.000 -0.187 0.000 1.160 274 F HN -0.006 nan 8.300 nan 0.000 0.501 275 V N 6.924 126.555 119.914 -0.472 0.000 2.435 275 V HA 0.404 4.524 4.120 -0.000 0.000 0.290 275 V C -0.576 175.259 176.094 -0.433 0.000 1.030 275 V CA -0.868 61.234 62.300 -0.329 0.000 0.881 275 V CB 1.554 33.260 31.823 -0.195 0.000 0.983 275 V HN 0.464 nan 8.190 nan 0.000 0.445 276 V N 4.932 124.700 119.914 -0.242 0.000 2.313 276 V HA 0.326 4.446 4.120 -0.000 0.000 0.278 276 V C 0.082 176.051 176.094 -0.209 0.000 1.017 276 V CA -0.736 61.436 62.300 -0.213 0.000 0.823 276 V CB 1.250 33.021 31.823 -0.086 0.000 1.010 276 V HN 0.806 nan 8.190 nan 0.000 0.443 277 Q N 2.834 122.521 119.800 -0.188 0.000 2.337 277 Q HA 0.183 4.523 4.340 -0.000 0.000 0.270 277 Q C -0.799 175.057 176.000 -0.239 0.000 1.002 277 Q CA 0.189 55.903 55.803 -0.149 0.000 0.888 277 Q CB 0.820 29.497 28.738 -0.102 0.000 1.222 277 Q HN 0.637 nan 8.270 nan 0.000 0.400 278 Y N 0.357 120.545 120.300 -0.187 0.000 2.585 278 Y HA 0.211 4.761 4.550 -0.000 0.000 0.354 278 Y C 0.640 176.419 175.900 -0.202 0.000 1.024 278 Y CA -0.417 57.455 58.100 -0.381 0.000 1.321 278 Y CB 0.611 38.758 38.460 -0.521 0.000 1.151 278 Y HN 0.589 nan 8.280 nan 0.000 0.525 279 A N 3.271 126.047 122.820 -0.074 0.000 3.037 279 A HA 0.296 4.616 4.320 -0.000 0.000 0.272 279 A C 1.020 178.534 177.584 -0.116 0.000 1.723 279 A CA 0.395 52.377 52.037 -0.090 0.000 1.413 279 A CB -1.486 17.438 19.000 -0.126 0.000 1.112 279 A HN 0.954 nan 8.150 nan 0.000 0.606 280 N N -0.104 118.608 118.700 0.020 0.000 2.216 280 N HA 0.382 5.122 4.740 -0.000 0.000 0.258 280 N C 0.875 176.266 175.510 -0.198 0.000 1.262 280 N CA 1.052 54.136 53.050 0.056 0.000 0.907 280 N CB -0.299 38.341 38.487 0.255 0.000 0.977 280 N HN 1.093 nan 8.380 nan 0.000 0.436 281 L N -4.340 116.866 121.223 -0.029 0.000 2.583 281 L HA -0.081 4.259 4.340 -0.000 0.000 0.464 281 L C -0.977 176.088 176.870 0.325 0.000 0.736 281 L CA 0.375 55.255 54.840 0.067 0.000 2.687 281 L CB -1.778 40.236 42.059 -0.074 0.000 1.013 281 L HN 0.742 nan 8.230 nan 0.000 0.629 282 Y N 0.620 120.951 120.300 0.051 0.000 2.335 282 Y HA 0.621 5.170 4.550 -0.000 0.000 0.323 282 Y C 1.070 176.951 175.900 -0.031 0.000 1.224 282 Y CA -1.001 56.971 58.100 -0.213 0.000 1.241 282 Y CB 0.780 38.638 38.460 -1.003 0.000 1.235 282 Y HN -0.038 nan 8.280 nan 0.000 0.492 283 R N 2.829 123.405 120.500 0.127 0.000 2.278 283 R HA 0.251 4.591 4.340 -0.000 0.000 0.322 283 R C -1.555 174.791 176.300 0.076 0.000 1.058 283 R CA -0.547 55.623 56.100 0.116 0.000 0.991 283 R CB 0.069 30.387 30.300 0.029 0.000 1.140 283 R HN 0.502 nan 8.270 nan 0.000 0.518 284 Y N 3.237 123.634 120.300 0.163 0.000 2.637 284 Y HA -0.006 4.544 4.550 -0.000 0.000 0.350 284 Y C 1.451 177.408 175.900 0.094 0.000 1.069 284 Y CA -0.164 58.045 58.100 0.182 0.000 1.397 284 Y CB 0.399 38.969 38.460 0.184 0.000 1.163 284 Y HN 0.464 nan 8.280 nan 0.000 0.527 285 L N 1.925 123.256 121.223 0.179 0.000 2.240 285 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 285 L C 0.788 177.770 176.870 0.188 0.000 1.106 285 L CA 0.622 55.517 54.840 0.091 0.000 0.793 285 L CB -0.195 41.834 42.059 -0.051 0.000 0.927 285 L HN 0.621 nan 8.230 nan 0.000 0.446 286 S N -2.085 113.789 115.700 0.290 0.000 2.567 286 S HA 0.573 5.043 4.470 -0.000 0.000 0.270 286 S C -0.647 174.157 174.600 0.340 0.000 1.152 286 S CA -0.738 57.609 58.200 0.245 0.000 0.835 286 S CB 2.230 65.620 63.200 0.318 0.000 1.115 286 S HN -0.083 nan 8.310 nan 0.000 0.459 287 T N 1.910 116.576 114.554 0.186 0.000 2.916 287 T HA 0.640 4.990 4.350 -0.000 0.000 0.298 287 T C -1.027 173.656 174.700 -0.029 0.000 1.031 287 T CA -0.404 61.753 62.100 0.096 0.000 0.993 287 T CB 1.019 69.966 68.868 0.132 0.000 1.045 287 T HN 0.666 nan 8.240 nan 0.000 0.454 288 I N 2.210 122.699 120.570 -0.135 0.000 2.498 288 I HA 0.689 4.859 4.170 -0.000 0.000 0.290 288 I C -0.423 175.561 176.117 -0.221 0.000 1.032 288 I CA -0.850 60.412 61.300 -0.062 0.000 1.073 288 I CB 1.673 39.731 38.000 0.097 0.000 1.251 288 I HN 0.749 nan 8.210 nan 0.000 0.426 289 A N 6.515 129.244 122.820 -0.151 0.000 2.319 289 A HA 0.763 5.083 4.320 -0.000 0.000 0.310 289 A C -1.077 176.583 177.584 0.128 0.000 1.152 289 A CA -0.484 51.484 52.037 -0.116 0.000 0.783 289 A CB 1.253 20.105 19.000 -0.247 0.000 1.184 289 A HN 0.397 nan 8.150 nan 0.000 0.474 290 V N 3.378 123.385 119.914 0.155 0.000 2.370 290 V HA 0.300 4.420 4.120 -0.000 0.000 0.283 290 V C -0.668 175.606 176.094 0.301 0.000 1.023 290 V CA -0.392 62.041 62.300 0.221 0.000 0.857 290 V CB 1.180 33.090 31.823 0.145 0.000 0.985 290 V HN 0.779 nan 8.190 nan 0.000 0.443 291 F N 5.362 125.397 119.950 0.141 0.000 2.462 291 F HA 0.364 4.891 4.527 -0.000 0.000 0.354 291 F C 0.434 176.112 175.800 -0.203 0.000 1.192 291 F CA -1.810 56.193 58.000 0.006 0.000 1.173 291 F CB 0.173 39.206 39.000 0.054 0.000 1.402 291 F HN 0.609 nan 8.300 nan 0.000 0.595 292 D N 4.134 124.477 120.400 -0.096 0.000 2.435 292 D HA -0.016 4.624 4.640 -0.000 0.000 0.230 292 D C -0.146 175.787 176.300 -0.612 0.000 1.215 292 D CA 0.034 53.647 54.000 -0.645 0.000 0.947 292 D CB -0.286 40.378 40.800 -0.227 0.000 1.048 292 D HN 0.250 nan 8.370 nan 0.000 0.512 293 N N 2.866 120.966 118.700 -1.001 0.000 3.050 293 N HA 0.220 4.960 4.740 -0.000 0.000 0.289 293 N C 0.774 175.973 175.510 -0.518 0.000 1.209 293 N CA 0.468 52.988 53.050 -0.884 0.000 1.154 293 N CB -0.436 37.340 38.487 -1.185 0.000 1.444 293 N HN 0.623 nan 8.380 nan 0.000 0.529 294 G N 0.875 109.465 108.800 -0.350 0.000 2.273 294 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.280 294 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.280 294 G C 0.944 175.707 174.900 -0.229 0.000 1.047 294 G CA 0.468 45.432 45.100 -0.228 0.000 0.869 294 G HN 1.114 nan 8.290 nan 0.000 0.502 295 G N -2.246 106.369 108.800 -0.309 0.000 2.176 295 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.253 295 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.253 295 G C 0.445 175.211 174.900 -0.222 0.000 0.979 295 G CA 0.784 45.778 45.100 -0.177 0.000 0.641 295 G HN 1.734 nan 8.290 nan 0.000 0.530 296 S N 0.027 115.463 115.700 -0.440 0.000 2.462 296 S HA 0.747 5.217 4.470 -0.000 0.000 0.294 296 S C -0.746 173.469 174.600 -0.642 0.000 1.144 296 S CA -0.377 57.616 58.200 -0.344 0.000 1.088 296 S CB 0.592 63.619 63.200 -0.289 0.000 1.009 296 S HN 0.297 nan 8.310 nan 0.000 0.484 297 F N 3.528 123.371 119.950 -0.179 0.000 2.403 297 F HA 0.446 4.973 4.527 -0.000 0.000 0.355 297 F C 0.541 176.281 175.800 -0.100 0.000 1.119 297 F CA -0.871 57.034 58.000 -0.158 0.000 1.007 297 F CB 1.126 40.036 39.000 -0.150 0.000 1.194 297 F HN 0.389 nan 8.300 nan 0.000 0.443 298 N N 1.490 120.196 118.700 0.009 0.000 2.384 298 N HA 0.491 5.231 4.740 -0.000 0.000 0.301 298 N C -0.471 175.110 175.510 0.120 0.000 1.133 298 N CA -0.698 52.377 53.050 0.042 0.000 0.853 298 N CB 2.210 40.687 38.487 -0.017 0.000 1.241 298 N HN 0.556 nan 8.380 nan 0.000 0.502 299 A N 0.597 123.483 122.820 0.111 0.000 3.037 299 A HA 0.454 4.774 4.320 -0.000 0.000 0.272 299 A C 1.344 179.040 177.584 0.187 0.000 1.723 299 A CA 0.304 52.426 52.037 0.141 0.000 1.413 299 A CB -1.427 17.635 19.000 0.103 0.000 1.112 299 A HN 0.913 nan 8.150 nan 0.000 0.606 300 G N 1.131 110.104 108.800 0.289 0.000 2.228 300 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.270 300 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.270 300 G C 1.290 176.275 174.900 0.141 0.000 0.976 300 G CA 1.636 46.898 45.100 0.270 0.000 0.636 300 G HN 1.537 nan 8.290 nan 0.000 0.542 301 T N -0.907 113.712 114.554 0.109 0.000 3.007 301 T HA 0.033 4.383 4.350 -0.000 0.000 0.270 301 T C 1.529 176.259 174.700 0.051 0.000 1.107 301 T CA 1.797 63.936 62.100 0.066 0.000 1.118 301 T CB -0.212 68.684 68.868 0.048 0.000 0.889 301 T HN 0.573 nan 8.240 nan 0.000 0.506 302 D N 0.464 120.906 120.400 0.070 0.000 2.342 302 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 302 D C 0.209 176.584 176.300 0.126 0.000 1.101 302 D CA -0.433 53.616 54.000 0.083 0.000 0.837 302 D CB -0.323 40.504 40.800 0.044 0.000 0.938 302 D HN 0.477 nan 8.370 nan 0.000 0.508 303 I N 0.450 121.048 120.570 0.046 0.000 2.545 303 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 303 I C 0.597 176.651 176.117 -0.106 0.000 1.040 303 I CA -0.862 60.388 61.300 -0.083 0.000 1.068 303 I CB 2.144 40.028 38.000 -0.192 0.000 1.251 303 I HN -0.270 nan 8.210 nan 0.000 0.424 304 N N 3.897 122.486 118.700 -0.186 0.000 2.197 304 N HA 0.009 4.749 4.740 -0.000 0.000 0.184 304 N C -0.551 174.942 175.510 -0.030 0.000 1.030 304 N CA 1.418 54.403 53.050 -0.109 0.000 0.851 304 N CB 0.252 38.637 38.487 -0.169 0.000 1.003 304 N HN 0.625 nan 8.380 nan 0.000 0.430 305 Y N -1.911 118.303 120.300 -0.142 0.000 2.713 305 Y HA 0.654 5.204 4.550 -0.000 0.000 0.335 305 Y C -1.727 173.992 175.900 -0.303 0.000 1.222 305 Y CA -1.441 56.560 58.100 -0.165 0.000 1.061 305 Y CB 0.555 38.960 38.460 -0.092 0.000 1.314 305 Y HN -0.279 nan 8.280 nan 0.000 0.453 306 L N 1.579 122.727 121.223 -0.126 0.000 2.354 306 L HA 0.902 5.241 4.340 -0.000 0.000 0.264 306 L C -0.181 176.555 176.870 -0.224 0.000 1.008 306 L CA -0.518 54.002 54.840 -0.534 0.000 0.819 306 L CB 2.249 43.499 42.059 -1.348 0.000 1.339 306 L HN 0.873 nan 8.230 nan 0.000 0.420 307 S N 0.132 115.607 115.700 -0.376 0.000 2.611 307 S HA 0.588 5.058 4.470 -0.000 0.000 0.268 307 S C -1.973 172.519 174.600 -0.180 0.000 1.156 307 S CA -0.597 57.571 58.200 -0.054 0.000 0.817 307 S CB 1.703 64.914 63.200 0.020 0.000 1.122 307 S HN 0.595 nan 8.310 nan 0.000 0.466 308 Q N 1.032 120.853 119.800 0.035 0.000 2.337 308 Q HA 0.641 4.981 4.340 -0.000 0.000 0.270 308 Q C -0.896 175.139 176.000 0.058 0.000 1.043 308 Q CA -0.714 55.139 55.803 0.083 0.000 0.794 308 Q CB 2.039 30.891 28.738 0.190 0.000 1.281 308 Q HN 0.718 nan 8.270 nan 0.000 0.446 309 R N -0.418 120.119 120.500 0.062 0.000 2.734 309 R HA 0.676 5.016 4.340 -0.000 0.000 0.271 309 R C -1.388 174.933 176.300 0.035 0.000 1.021 309 R CA -0.667 55.453 56.100 0.032 0.000 0.893 309 R CB 1.394 31.700 30.300 0.009 0.000 1.244 309 R HN 0.434 nan 8.270 nan 0.000 0.464 310 T N 0.274 114.837 114.554 0.014 0.000 2.918 310 T HA 0.647 4.997 4.350 -0.000 0.000 0.286 310 T C 0.122 174.820 174.700 -0.002 0.000 1.026 310 T CA -0.657 61.447 62.100 0.007 0.000 1.031 310 T CB 1.713 70.580 68.868 -0.001 0.000 1.046 310 T HN 0.757 nan 8.240 nan 0.000 0.479 311 A N 1.312 124.128 122.820 -0.007 0.000 2.515 311 A HA 0.505 4.825 4.320 -0.000 0.000 0.263 311 A C 1.222 178.798 177.584 -0.013 0.000 1.096 311 A CA 0.406 52.435 52.037 -0.013 0.000 0.769 311 A CB -1.798 17.191 19.000 -0.018 0.000 1.040 311 A HN 1.818 nan 8.150 nan 0.000 0.505 312 N N 0.058 118.751 118.700 -0.013 0.000 3.694 312 N HA 0.373 5.113 4.740 -0.000 0.000 0.128 312 N C 1.090 176.592 175.510 -0.014 0.000 0.907 312 N CA 0.617 53.659 53.050 -0.013 0.000 3.017 312 N CB -2.143 36.336 38.487 -0.012 0.000 1.162 312 N HN 2.335 nan 8.380 nan 0.000 0.793 313 F N -0.184 119.758 119.950 -0.014 0.000 3.049 313 F HA -0.103 4.424 4.527 -0.000 0.000 0.262 313 F C 1.155 176.944 175.800 -0.019 0.000 0.955 313 F CA 1.492 59.482 58.000 -0.016 0.000 0.870 313 F CB -2.274 36.716 39.000 -0.017 0.000 0.858 313 F HN 1.185 nan 8.300 nan 0.000 0.692 314 S N 1.206 116.897 115.700 -0.015 0.000 2.416 314 S HA 0.358 4.828 4.470 -0.000 0.000 0.302 314 S C 0.020 174.613 174.600 -0.013 0.000 1.120 314 S CA -0.171 58.020 58.200 -0.015 0.000 1.067 314 S CB -0.117 63.076 63.200 -0.011 0.000 1.057 314 S HN 0.466 nan 8.310 nan 0.000 0.518 315 D N 3.291 123.677 120.400 -0.024 0.000 2.453 315 D HA 0.059 4.699 4.640 -0.000 0.000 0.223 315 D C 1.443 177.735 176.300 -0.013 0.000 1.183 315 D CA 0.067 54.053 54.000 -0.023 0.000 0.933 315 D CB 1.168 41.933 40.800 -0.058 0.000 1.038 315 D HN 0.646 nan 8.370 nan 0.000 0.513 316 T N 0.085 114.640 114.554 0.002 0.000 3.025 316 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 316 T C 1.038 175.741 174.700 0.006 0.000 1.126 316 T CA 0.394 62.495 62.100 0.002 0.000 1.105 316 T CB -0.032 68.840 68.868 0.006 0.000 0.884 316 T HN 0.545 nan 8.240 nan 0.000 0.522 317 R N -0.323 120.193 120.500 0.025 0.000 2.606 317 R HA 0.333 4.673 4.340 -0.000 0.000 0.202 317 R C -0.941 175.427 176.300 0.113 0.000 1.371 317 R CA -0.717 55.410 56.100 0.045 0.000 1.355 317 R CB -0.431 29.876 30.300 0.012 0.000 1.477 317 R HN 0.098 nan 8.270 nan 0.000 0.775 318 K N 2.597 123.017 120.400 0.033 0.000 2.315 318 K HA 0.276 4.596 4.320 -0.000 0.000 0.291 318 K C -0.901 175.721 176.600 0.038 0.000 1.074 318 K CA -0.065 56.213 56.287 -0.014 0.000 0.936 318 K CB 0.405 32.778 32.500 -0.213 0.000 1.049 318 K HN 0.440 nan 8.250 nan 0.000 0.471 319 L N 4.141 125.482 121.223 0.196 0.000 2.381 319 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 319 L C 0.025 177.036 176.870 0.235 0.000 0.997 319 L CA -1.320 53.656 54.840 0.228 0.000 0.818 319 L CB 1.682 43.947 42.059 0.343 0.000 1.310 319 L HN 0.730 nan 8.230 nan 0.000 0.416 320 D N 1.085 121.591 120.400 0.178 0.000 2.368 320 D HA 0.052 4.692 4.640 -0.000 0.000 0.240 320 D C -2.156 174.254 176.300 0.182 0.000 1.169 320 D CA -1.236 52.859 54.000 0.158 0.000 0.906 320 D CB 1.280 42.151 40.800 0.120 0.000 1.187 320 D HN 0.215 nan 8.370 nan 0.000 0.435 321 P HA -0.151 nan 4.420 nan 0.000 0.215 321 P C 1.404 178.870 177.300 0.276 0.000 1.153 321 P CA 1.486 64.682 63.100 0.160 0.000 0.853 321 P CB 0.122 31.878 31.700 0.094 0.000 0.788 322 K N -1.113 119.412 120.400 0.209 0.000 2.097 322 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 322 K C 1.799 178.522 176.600 0.204 0.000 1.050 322 K CA 1.547 57.952 56.287 0.197 0.000 0.938 322 K CB -0.398 32.184 32.500 0.137 0.000 0.718 322 K HN 0.112 nan 8.250 nan 0.000 0.442 323 T N 0.095 114.769 114.554 0.200 0.000 2.942 323 T HA -0.133 4.216 4.350 -0.000 0.000 0.265 323 T C 1.104 175.931 174.700 0.211 0.000 1.062 323 T CA 0.546 62.746 62.100 0.168 0.000 1.139 323 T CB -0.122 68.825 68.868 0.132 0.000 0.883 323 T HN 0.432 nan 8.240 nan 0.000 0.468 324 W N 2.272 123.642 121.300 0.118 0.000 2.379 324 W HA -0.068 4.592 4.660 -0.000 0.000 0.307 324 W C 2.443 179.084 176.519 0.203 0.000 1.200 324 W CA 1.256 58.693 57.345 0.152 0.000 1.297 324 W CB -0.591 28.965 29.460 0.160 0.000 1.140 324 W HN 0.288 nan 8.180 nan 0.000 0.507 325 A N 0.958 124.071 122.820 0.488 0.000 1.933 325 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 325 A C 2.191 179.897 177.584 0.203 0.000 1.175 325 A CA 2.640 54.901 52.037 0.374 0.000 0.628 325 A CB -1.254 17.943 19.000 0.328 0.000 0.814 325 A HN 0.301 nan 8.150 nan 0.000 0.444 326 A N -0.913 121.999 122.820 0.152 0.000 1.908 326 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 326 A C 2.097 179.713 177.584 0.053 0.000 1.181 326 A CA 1.790 53.879 52.037 0.088 0.000 0.627 326 A CB -0.494 18.550 19.000 0.073 0.000 0.818 326 A HN 0.488 nan 8.150 nan 0.000 0.445 327 Q N -0.423 119.384 119.800 0.012 0.000 2.096 327 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 327 Q C 2.168 178.184 176.000 0.027 0.000 0.982 327 Q CA 2.096 57.875 55.803 -0.040 0.000 0.850 327 Q CB -1.347 27.273 28.738 -0.197 0.000 0.901 327 Q HN 0.662 nan 8.270 nan 0.000 0.422 328 T N 1.014 115.623 114.554 0.091 0.000 2.821 328 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 328 T C 1.804 176.566 174.700 0.103 0.000 1.046 328 T CA 0.822 63.047 62.100 0.209 0.000 1.139 328 T CB -0.065 69.022 68.868 0.366 0.000 0.871 328 T HN 0.265 nan 8.240 nan 0.000 0.454 329 R N 0.676 121.217 120.500 0.070 0.000 2.159 329 R HA 0.025 4.365 4.340 -0.000 0.000 0.237 329 R C 2.455 178.761 176.300 0.010 0.000 1.131 329 R CA 0.760 56.872 56.100 0.020 0.000 0.982 329 R CB -0.053 30.265 30.300 0.029 0.000 0.868 329 R HN 0.205 nan 8.270 nan 0.000 0.453 330 R N 0.108 120.625 120.500 0.027 0.000 2.193 330 R HA 0.027 4.367 4.340 -0.000 0.000 0.213 330 R C 1.927 178.244 176.300 0.027 0.000 1.055 330 R CA 0.716 56.829 56.100 0.021 0.000 0.995 330 R CB 0.014 30.327 30.300 0.022 0.000 0.893 330 R HN 0.167 nan 8.270 nan 0.000 0.459 331 R N 0.536 121.067 120.500 0.051 0.000 2.090 331 R HA 0.124 4.464 4.340 -0.000 0.000 0.219 331 R C 2.060 178.351 176.300 -0.015 0.000 1.100 331 R CA 0.902 57.041 56.100 0.066 0.000 0.991 331 R CB -0.100 30.316 30.300 0.193 0.000 0.893 331 R HN 0.313 nan 8.270 nan 0.000 0.443 332 I N -3.841 116.678 120.570 -0.084 0.000 4.050 332 I HA 0.476 4.646 4.170 -0.000 0.000 0.327 332 I C 0.497 176.525 176.117 -0.149 0.000 1.473 332 I CA 0.120 61.316 61.300 -0.172 0.000 1.124 332 I CB 0.871 38.638 38.000 -0.388 0.000 1.129 332 I HN -0.013 nan 8.210 nan 0.000 0.428 333 A N 0.135 122.900 122.820 -0.092 0.000 2.861 333 A HA -0.220 4.100 4.320 -0.000 0.000 0.261 333 A C 0.654 178.192 177.584 -0.077 0.000 1.351 333 A CA 1.698 53.693 52.037 -0.069 0.000 0.904 333 A CB -2.300 16.663 19.000 -0.063 0.000 1.076 333 A HN 0.783 nan 8.150 nan 0.000 0.729 334 T N -1.779 112.710 114.554 -0.109 0.000 2.654 334 T HA 0.499 4.849 4.350 -0.000 0.000 0.303 334 T C -2.119 172.503 174.700 -0.130 0.000 1.656 334 T CA 0.114 62.153 62.100 -0.102 0.000 0.971 334 T CB 0.968 69.768 68.868 -0.114 0.000 1.811 334 T HN 0.275 nan 8.240 nan 0.000 0.483 335 D N 0.685 121.030 120.400 -0.093 0.000 2.193 335 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 335 D C -0.287 175.930 176.300 -0.137 0.000 1.034 335 D CA -0.105 53.862 54.000 -0.054 0.000 0.902 335 D CB 0.746 41.565 40.800 0.032 0.000 1.182 335 D HN 0.282 nan 8.370 nan 0.000 0.436 336 F N 0.831 120.724 119.950 -0.097 0.000 2.440 336 F HA 0.221 4.748 4.527 -0.000 0.000 0.323 336 F C -1.338 174.368 175.800 -0.158 0.000 1.192 336 F CA -1.367 56.501 58.000 -0.220 0.000 1.252 336 F CB -0.184 38.572 39.000 -0.407 0.000 1.214 336 F HN 0.081 nan 8.300 nan 0.000 0.578 337 P HA -0.004 nan 4.420 nan 0.000 0.270 337 P C -1.075 176.262 177.300 0.060 0.000 1.227 337 P CA -0.275 62.897 63.100 0.120 0.000 0.788 337 P CB 0.318 32.186 31.700 0.281 0.000 0.926 338 K N 0.964 121.408 120.400 0.073 0.000 2.530 338 K HA 0.138 4.457 4.320 -0.000 0.000 0.280 338 K C 1.329 177.994 176.600 0.109 0.000 1.004 338 K CA 1.342 57.674 56.287 0.074 0.000 1.071 338 K CB -0.725 31.837 32.500 0.103 0.000 0.876 338 K HN 0.842 nan 8.250 nan 0.000 0.487 339 G N 1.158 109.978 108.800 0.034 0.000 2.184 339 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 339 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 339 G C 0.006 174.835 174.900 -0.119 0.000 0.975 339 G CA 0.122 45.292 45.100 0.117 0.000 0.642 339 G HN 0.429 nan 8.290 nan 0.000 0.536 340 V N 1.017 120.702 119.914 -0.383 0.000 2.370 340 V HA 0.649 4.769 4.120 -0.000 0.000 0.279 340 V C -0.324 175.366 176.094 -0.675 0.000 1.029 340 V CA -0.822 61.240 62.300 -0.395 0.000 0.870 340 V CB 0.864 32.442 31.823 -0.409 0.000 0.984 340 V HN 0.240 nan 8.190 nan 0.000 0.451 341 Y N 4.245 124.578 120.300 0.055 0.000 2.393 341 Y HA 0.619 5.168 4.550 -0.000 0.000 0.341 341 Y C -0.463 175.606 175.900 0.283 0.000 0.988 341 Y CA -0.874 57.365 58.100 0.231 0.000 1.078 341 Y CB 1.724 40.254 38.460 0.117 0.000 1.203 341 Y HN 0.638 nan 8.280 nan 0.000 0.453 342 Y N 2.170 122.747 120.300 0.463 0.000 2.509 342 Y HA 0.685 5.235 4.550 -0.000 0.000 0.341 342 Y C -1.170 175.026 175.900 0.492 0.000 1.038 342 Y CA -1.863 56.406 58.100 0.281 0.000 1.089 342 Y CB 1.748 40.287 38.460 0.132 0.000 1.241 342 Y HN 0.795 nan 8.280 nan 0.000 0.468 343 C N 6.403 125.433 119.300 -0.451 0.000 2.516 343 C HA 0.362 4.822 4.460 -0.000 0.000 0.338 343 C C -1.337 173.232 174.990 -0.703 0.000 1.132 343 C CA -0.715 58.102 59.018 -0.336 0.000 1.310 343 C CB -0.020 27.919 27.740 0.332 0.000 1.898 343 C HN 0.889 nan 8.230 nan 0.000 0.452 344 D N 3.309 123.379 120.400 -0.552 0.000 2.249 344 D HA 0.310 4.950 4.640 -0.000 0.000 0.246 344 D C 0.123 176.382 176.300 -0.069 0.000 1.114 344 D CA 0.248 54.100 54.000 -0.246 0.000 0.854 344 D CB 0.740 41.538 40.800 -0.004 0.000 1.132 344 D HN 0.756 nan 8.370 nan 0.000 0.461 345 N N 2.458 121.163 118.700 0.008 0.000 2.451 345 N HA 0.143 4.883 4.740 -0.000 0.000 0.271 345 N C 1.040 176.578 175.510 0.046 0.000 1.410 345 N CA -0.330 52.738 53.050 0.030 0.000 0.884 345 N CB 0.840 39.354 38.487 0.045 0.000 1.332 345 N HN 0.200 nan 8.380 nan 0.000 0.498 346 R N 0.372 120.911 120.500 0.064 0.000 2.073 346 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 346 R C 0.768 177.086 176.300 0.029 0.000 1.134 346 R CA 1.238 57.374 56.100 0.060 0.000 0.952 346 R CB -0.047 30.332 30.300 0.132 0.000 0.850 346 R HN 0.243 nan 8.270 nan 0.000 0.433 347 D N 0.500 120.922 120.400 0.037 0.000 2.117 347 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 347 D C 0.270 176.581 176.300 0.018 0.000 0.982 347 D CA 1.351 55.367 54.000 0.025 0.000 0.828 347 D CB 0.181 40.997 40.800 0.027 0.000 0.967 347 D HN 0.080 nan 8.370 nan 0.000 0.464 348 K N 0.967 121.380 120.400 0.020 0.000 2.679 348 K HA 0.280 4.600 4.320 -0.000 0.000 0.188 348 K C -2.669 173.950 176.600 0.030 0.000 1.055 348 K CA -1.558 54.743 56.287 0.023 0.000 1.006 348 K CB 2.209 34.721 32.500 0.019 0.000 1.317 348 K HN -0.068 nan 8.250 nan 0.000 0.584 349 P HA -0.038 nan 4.420 nan 0.000 0.265 349 P C -0.035 177.320 177.300 0.091 0.000 1.193 349 P CA -0.188 62.948 63.100 0.060 0.000 0.765 349 P CB 0.417 32.144 31.700 0.045 0.000 0.823 350 I N 3.892 124.504 120.570 0.070 0.000 2.664 350 I HA -0.062 4.108 4.170 -0.000 0.000 0.284 350 I C 0.055 176.308 176.117 0.227 0.000 1.154 350 I CA 0.420 61.712 61.300 -0.013 0.000 1.402 350 I CB -1.361 36.365 38.000 -0.458 0.000 1.395 350 I HN 0.395 nan 8.210 nan 0.000 0.545 351 Y N 6.507 126.824 120.300 0.028 0.000 2.373 351 Y HA 0.178 4.728 4.550 -0.000 0.000 0.327 351 Y C 1.308 177.228 175.900 0.033 0.000 1.036 351 Y CA -1.186 56.955 58.100 0.069 0.000 1.265 351 Y CB 1.373 39.868 38.460 0.058 0.000 1.108 351 Y HN 0.730 nan 8.280 nan 0.000 0.471 352 T N 1.542 116.021 114.554 -0.124 0.000 2.788 352 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 352 T C 1.205 175.745 174.700 -0.267 0.000 1.044 352 T CA 1.571 63.574 62.100 -0.162 0.000 1.139 352 T CB -0.453 68.359 68.868 -0.094 0.000 0.867 352 T HN 0.587 nan 8.240 nan 0.000 0.454 353 L N 0.005 120.934 121.223 -0.491 0.000 2.955 353 L HA 0.505 4.845 4.340 -0.000 0.000 0.238 353 L C 1.155 177.801 176.870 -0.373 0.000 1.359 353 L CA -0.149 54.462 54.840 -0.381 0.000 1.214 353 L CB -0.296 41.553 42.059 -0.349 0.000 1.600 353 L HN 0.238 nan 8.230 nan 0.000 0.442 354 Q N -0.158 119.493 119.800 -0.248 0.000 1.656 354 Q HA 0.024 4.364 4.340 -0.000 0.000 0.159 354 Q C -0.056 175.934 176.000 -0.018 0.000 0.744 354 Q CA 0.664 56.428 55.803 -0.065 0.000 0.767 354 Q CB 0.690 29.501 28.738 0.122 0.000 1.205 354 Q HN 0.575 nan 8.270 nan 0.000 0.368 355 Y N -0.921 119.348 120.300 -0.052 0.000 2.861 355 Y HA 0.499 5.049 4.550 -0.000 0.000 0.284 355 Y C 0.618 176.495 175.900 -0.038 0.000 1.006 355 Y CA 0.679 58.764 58.100 -0.025 0.000 1.245 355 Y CB 0.406 38.861 38.460 -0.007 0.000 1.415 355 Y HN 0.335 nan 8.280 nan 0.000 0.586 356 G N 1.721 110.484 108.800 -0.062 0.000 2.750 356 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.686 356 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.686 356 G C -0.550 174.326 174.900 -0.040 0.000 1.395 356 G CA -0.441 44.627 45.100 -0.054 0.000 0.918 356 G HN 1.142 nan 8.290 nan 0.000 0.594 357 N N -1.071 117.606 118.700 -0.038 0.000 1.691 357 N HA 0.053 4.793 4.740 -0.000 0.000 0.344 357 N C 0.530 176.045 175.510 0.010 0.000 1.264 357 N CA 1.142 54.182 53.050 -0.017 0.000 0.780 357 N CB 0.342 38.816 38.487 -0.022 0.000 1.003 357 N HN 0.872 nan 8.380 nan 0.000 0.515 358 V N 0.189 120.136 119.914 0.054 0.000 2.864 358 V HA 0.901 5.021 4.120 -0.000 0.000 0.314 358 V C 0.841 177.089 176.094 0.258 0.000 1.073 358 V CA -0.852 61.512 62.300 0.107 0.000 0.956 358 V CB 2.301 34.138 31.823 0.024 0.000 1.023 358 V HN 0.774 nan 8.190 nan 0.000 0.435 359 G N 0.826 109.773 108.800 0.245 0.000 2.642 359 G HA2 0.673 4.633 3.960 -0.000 0.000 0.293 359 G HA3 0.673 4.633 3.960 -0.000 0.000 0.293 359 G C -2.029 173.026 174.900 0.259 0.000 1.341 359 G CA -0.598 44.614 45.100 0.187 0.000 0.916 359 G HN 0.487 nan 8.290 nan 0.000 0.474 360 F N 1.525 121.462 119.950 -0.022 0.000 2.420 360 F HA 0.673 5.200 4.527 -0.000 0.000 0.342 360 F C -0.331 175.446 175.800 -0.038 0.000 1.113 360 F CA -0.547 57.476 58.000 0.037 0.000 1.059 360 F CB 1.828 40.799 39.000 -0.048 0.000 1.128 360 F HN 0.292 nan 8.300 nan 0.000 0.475 361 V N 6.348 125.958 119.914 -0.507 0.000 2.555 361 V HA 0.628 4.748 4.120 -0.000 0.000 0.302 361 V C -0.893 174.949 176.094 -0.420 0.000 1.038 361 V CA -0.877 61.242 62.300 -0.303 0.000 0.887 361 V CB 1.695 33.428 31.823 -0.150 0.000 0.991 361 V HN 0.581 nan 8.190 nan 0.000 0.434 362 V N 3.565 123.337 119.914 -0.236 0.000 2.577 362 V HA 0.474 4.594 4.120 -0.000 0.000 0.303 362 V C -0.436 175.430 176.094 -0.381 0.000 1.042 362 V CA -0.647 61.438 62.300 -0.358 0.000 0.872 362 V CB 2.067 33.696 31.823 -0.322 0.000 0.998 362 V HN 0.890 nan 8.190 nan 0.000 0.423 363 N N 6.427 124.754 118.700 -0.622 0.000 2.621 363 N HA 0.375 5.115 4.740 -0.000 0.000 0.237 363 N C -2.788 172.435 175.510 -0.479 0.000 0.997 363 N CA -1.631 51.050 53.050 -0.614 0.000 0.918 363 N CB 2.495 40.302 38.487 -1.134 0.000 1.122 363 N HN 0.334 nan 8.380 nan 0.000 0.510 364 P HA 0.104 nan 4.420 nan 0.000 0.275 364 P C 0.260 177.485 177.300 -0.124 0.000 1.227 364 P CA -0.112 62.851 63.100 -0.228 0.000 0.781 364 P CB 1.784 33.353 31.700 -0.218 0.000 0.906 365 K N 1.597 121.965 120.400 -0.052 0.000 2.242 365 K HA 0.046 4.365 4.320 -0.000 0.000 0.200 365 K C 0.362 176.958 176.600 -0.007 0.000 1.050 365 K CA 0.826 57.094 56.287 -0.032 0.000 0.981 365 K CB 0.302 32.793 32.500 -0.015 0.000 0.795 365 K HN 0.609 nan 8.250 nan 0.000 0.477 366 T N -1.398 113.171 114.554 0.025 0.000 2.933 366 T HA 0.479 4.829 4.350 -0.000 0.000 0.305 366 T C -1.275 173.455 174.700 0.049 0.000 1.092 366 T CA -0.835 61.274 62.100 0.014 0.000 1.008 366 T CB 1.960 70.822 68.868 -0.009 0.000 1.102 366 T HN -0.171 nan 8.240 nan 0.000 0.469 367 V N 4.262 124.187 119.914 0.017 0.000 2.483 367 V HA 0.541 4.661 4.120 -0.000 0.000 0.297 367 V C -0.419 175.654 176.094 -0.035 0.000 1.027 367 V CA -1.022 61.296 62.300 0.029 0.000 0.855 367 V CB 1.792 33.625 31.823 0.017 0.000 0.995 367 V HN 0.934 nan 8.190 nan 0.000 0.424 368 N N 2.163 120.814 118.700 -0.082 0.000 2.458 368 N HA 0.300 5.040 4.740 -0.000 0.000 0.271 368 N C -0.137 175.325 175.510 -0.080 0.000 1.210 368 N CA -0.569 52.422 53.050 -0.099 0.000 0.978 368 N CB 0.838 39.231 38.487 -0.157 0.000 1.206 368 N HN 0.659 nan 8.380 nan 0.000 0.536 369 Q N 0.952 120.710 119.800 -0.069 0.000 2.311 369 Q HA 0.045 4.384 4.340 -0.000 0.000 0.272 369 Q C -0.472 175.491 176.000 -0.062 0.000 1.012 369 Q CA 0.340 56.111 55.803 -0.053 0.000 0.891 369 Q CB 0.249 28.963 28.738 -0.041 0.000 1.201 369 Q HN 0.457 nan 8.270 nan 0.000 0.391 370 N N -0.100 118.572 118.700 -0.047 0.000 2.869 370 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 370 N C -1.034 174.439 175.510 -0.062 0.000 1.104 370 N CA 0.913 53.937 53.050 -0.044 0.000 0.760 370 N CB -1.480 36.982 38.487 -0.041 0.000 1.108 370 N HN 0.612 nan 8.380 nan 0.000 0.555 371 A N 0.927 123.709 122.820 -0.062 0.000 2.425 371 A HA 0.605 4.925 4.320 -0.000 0.000 0.249 371 A C 0.941 178.513 177.584 -0.020 0.000 1.084 371 A CA 0.289 52.301 52.037 -0.043 0.000 0.781 371 A CB 0.611 19.628 19.000 0.030 0.000 1.019 371 A HN 0.456 nan 8.150 nan 0.000 0.490 372 R N 1.274 121.792 120.500 0.030 0.000 2.712 372 R HA 0.574 4.914 4.340 -0.000 0.000 0.272 372 R C -2.284 174.056 176.300 0.066 0.000 1.032 372 R CA -0.901 55.197 56.100 -0.004 0.000 0.874 372 R CB 0.774 31.088 30.300 0.024 0.000 1.256 372 R HN 0.503 nan 8.270 nan 0.000 0.468 373 L N 2.875 124.113 121.223 0.026 0.000 2.305 373 L HA 0.474 4.814 4.340 -0.000 0.000 0.284 373 L C -0.630 176.316 176.870 0.126 0.000 1.013 373 L CA -1.051 53.839 54.840 0.083 0.000 0.819 373 L CB 1.686 43.793 42.059 0.081 0.000 1.227 373 L HN 0.467 nan 8.230 nan 0.000 0.417 374 L N 4.784 126.101 121.223 0.156 0.000 2.257 374 L HA 0.437 4.777 4.340 -0.000 0.000 0.290 374 L C -0.167 176.779 176.870 0.126 0.000 1.044 374 L CA -0.287 54.678 54.840 0.209 0.000 0.810 374 L CB 1.185 43.452 42.059 0.347 0.000 1.193 374 L HN 0.477 nan 8.230 nan 0.000 0.425 375 M N 2.779 122.372 119.600 -0.011 0.000 2.238 375 M HA 0.483 4.962 4.480 -0.000 0.000 0.350 375 M C 0.299 176.313 176.300 -0.476 0.000 1.138 375 M CA -0.348 54.766 55.300 -0.309 0.000 1.040 375 M CB 1.428 33.806 32.600 -0.371 0.000 1.639 375 M HN 0.584 nan 8.290 nan 0.000 0.451 376 G N 3.314 111.694 108.800 -0.700 0.000 2.530 376 G HA2 0.685 4.645 3.960 -0.000 0.000 0.316 376 G HA3 0.685 4.645 3.960 -0.000 0.000 0.316 376 G C -1.866 172.621 174.900 -0.689 0.000 1.298 376 G CA -0.209 44.277 45.100 -1.022 0.000 0.948 376 G HN 0.554 nan 8.290 nan 0.000 0.486 377 Y N 0.131 120.448 120.300 0.028 0.000 2.485 377 Y HA 0.568 5.118 4.550 -0.000 0.000 0.345 377 Y C 0.260 176.395 175.900 0.392 0.000 0.998 377 Y CA -1.014 57.297 58.100 0.353 0.000 1.059 377 Y CB 2.709 41.503 38.460 0.556 0.000 1.234 377 Y HN 0.489 nan 8.280 nan 0.000 0.461 378 E N 2.664 123.187 120.200 0.539 0.000 2.165 378 E HA 0.441 4.791 4.350 -0.000 0.000 0.266 378 E C -1.842 174.909 176.600 0.251 0.000 0.889 378 E CA -0.654 55.909 56.400 0.272 0.000 0.756 378 E CB 1.278 31.164 29.700 0.310 0.000 1.131 378 E HN 0.589 nan 8.360 nan 0.000 0.411 379 Y N 1.673 121.952 120.300 -0.035 0.000 2.689 379 Y HA 0.618 5.168 4.550 -0.000 0.000 0.333 379 Y C -1.944 173.868 175.900 -0.148 0.000 1.208 379 Y CA -1.436 56.541 58.100 -0.206 0.000 1.055 379 Y CB 0.725 38.911 38.460 -0.456 0.000 1.304 379 Y HN 0.186 nan 8.280 nan 0.000 0.455 380 F N 0.658 120.713 119.950 0.175 0.000 2.492 380 F HA 0.812 5.338 4.527 -0.000 0.000 0.327 380 F C 0.208 176.089 175.800 0.134 0.000 1.079 380 F CA -0.871 57.181 58.000 0.087 0.000 0.967 380 F CB 2.197 41.193 39.000 -0.007 0.000 1.169 380 F HN 0.749 nan 8.300 nan 0.000 0.472 381 T N 0.708 115.438 114.554 0.294 0.000 2.942 381 T HA 0.375 4.725 4.350 -0.000 0.000 0.327 381 T C -1.061 173.706 174.700 0.111 0.000 1.360 381 T CA -0.533 61.694 62.100 0.212 0.000 1.055 381 T CB 1.055 70.062 68.868 0.232 0.000 1.261 381 T HN 0.481 nan 8.240 nan 0.000 0.485 382 S N 2.842 118.600 115.700 0.097 0.000 2.549 382 S HA 0.304 4.774 4.470 -0.000 0.000 0.283 382 S C 0.508 175.135 174.600 0.045 0.000 1.320 382 S CA -0.521 57.708 58.200 0.049 0.000 1.058 382 S CB 0.472 63.702 63.200 0.051 0.000 0.882 382 S HN 0.666 nan 8.310 nan 0.000 0.498 383 R N 1.683 122.193 120.500 0.016 0.000 2.652 383 R HA 0.470 4.810 4.340 -0.000 0.000 0.272 383 R C 0.605 176.920 176.300 0.025 0.000 1.162 383 R CA 0.678 56.783 56.100 0.008 0.000 1.199 383 R CB -0.474 29.824 30.300 -0.002 0.000 1.166 383 R HN 0.874 nan 8.270 nan 0.000 0.597 384 T N 0.000 114.570 114.554 0.026 0.000 3.816 384 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 384 T CA 0.000 62.120 62.100 0.032 0.000 1.349 384 T CB 0.000 68.886 68.868 0.029 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658