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 1ma9_1_A DATA FIRST_RESID 1 DATA SEQUENCE LERGRDYEKN KVcKEFSHLG KEDFTSLSLV LYSRKFPSGT FEQVSQLVKE DATA SEQUENCE VVSLTEAccA EGADPDcYDT RTSALSAKSc ESNSPFPVHP GTAEccTXXX DATA SEQUENCE XXXXLcMAAL KHQPQEFPTY VEPTNDEIcE AFRKDPKEYA NQFMWEYSTN DATA SEQUENCE YGQAPLSLLV SYTKSYLSMV GSccTSASPT VcFLKERLQL KHLSLLTTLS DATA SEQUENCE NRVcSQYAAY GEKKSRLSNL IKLAQKVPTA DLEDVLPLAE DITNILSKcc DATA SEQUENCE ESASEDcMAK ELPEHTVKLc DNLSTKNSKF EDccQEKTAM DVFVcTYFMP DATA SEQUENCE AAQLPELPDV ELPTNKDXXX XXNTKVMDKY TFELSRRTHL PEVFLSKVLE DATA SEQUENCE PTLKSLGEcC XXXXSTTcFN AKGPLLKKEL SSFIDKGQEL cADYSENTFT DATA SEQUENCE EYKKKLAERL KAKLPEATPT ELAKLVNKRS DFASNccSIN SPPLYcDSEI DATA SEQUENCE DAELKNIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.848 176.870 -0.036 0.000 1.165 1 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 1 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 2 E N 2.808 122.988 120.200 -0.033 0.000 2.301 2 E HA 0.573 4.923 4.350 0.001 0.000 0.275 2 E C -0.663 175.905 176.600 -0.053 0.000 1.030 2 E CA -0.934 55.439 56.400 -0.046 0.000 0.852 2 E CB 0.847 30.529 29.700 -0.029 0.000 1.060 2 E HN 0.358 nan 8.360 nan 0.000 0.401 3 R N 1.552 121.991 120.500 -0.102 0.000 2.698 3 R HA 0.141 4.481 4.340 0.001 0.000 0.266 3 R C 0.687 176.980 176.300 -0.011 0.000 1.026 3 R CA 0.630 56.657 56.100 -0.122 0.000 1.102 3 R CB 0.015 30.102 30.300 -0.354 0.000 0.978 3 R HN 0.756 nan 8.270 nan 0.000 0.436 4 G N 0.741 109.574 108.800 0.055 0.000 2.484 4 G HA2 0.229 4.190 3.960 0.001 0.000 0.235 4 G HA3 0.229 4.190 3.960 0.001 0.000 0.235 4 G C 1.165 176.120 174.900 0.091 0.000 1.282 4 G CA 0.089 45.232 45.100 0.073 0.000 0.857 4 G HN 0.722 nan 8.290 nan 0.000 0.571 5 R N 0.753 121.291 120.500 0.064 0.000 2.154 5 R HA -0.123 4.217 4.340 0.001 0.000 0.248 5 R C 1.305 177.659 176.300 0.089 0.000 1.155 5 R CA 2.140 58.282 56.100 0.069 0.000 0.979 5 R CB -0.633 29.698 30.300 0.052 0.000 0.869 5 R HN 0.632 nan 8.270 nan 0.000 0.452 6 D N -1.428 119.016 120.400 0.072 0.000 2.894 6 D HA 0.107 4.748 4.640 0.001 0.000 0.273 6 D C 0.363 176.676 176.300 0.022 0.000 1.328 6 D CA -0.418 53.603 54.000 0.034 0.000 0.845 6 D CB -0.084 40.709 40.800 -0.013 0.000 1.072 6 D HN 0.518 nan 8.370 nan 0.000 0.484 7 Y N 1.913 122.199 120.300 -0.023 0.000 2.181 7 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 7 Y C 1.912 177.789 175.900 -0.039 0.000 1.146 7 Y CA 1.689 59.775 58.100 -0.023 0.000 1.164 7 Y CB 0.425 38.884 38.460 -0.002 0.000 0.982 7 Y HN -0.080 nan 8.280 nan 0.000 0.515 8 E N 0.833 120.955 120.200 -0.130 0.000 2.015 8 E HA -0.228 4.123 4.350 0.001 0.000 0.191 8 E C 2.184 178.558 176.600 -0.378 0.000 0.991 8 E CA 1.418 57.695 56.400 -0.205 0.000 0.802 8 E CB -0.563 29.181 29.700 0.073 0.000 0.759 8 E HN 0.515 nan 8.360 nan 0.000 0.447 9 K N 0.901 120.946 120.400 -0.593 0.000 2.015 9 K HA -0.193 4.127 4.320 0.001 0.000 0.216 9 K C 1.819 178.150 176.600 -0.449 0.000 1.052 9 K CA 1.700 57.443 56.287 -0.907 0.000 0.937 9 K CB -0.119 31.905 32.500 -0.794 0.000 0.719 9 K HN -0.005 nan 8.250 nan 0.000 0.446 10 N N 1.056 119.576 118.700 -0.299 0.000 2.205 10 N HA -0.198 4.542 4.740 0.001 0.000 0.186 10 N C 1.720 177.115 175.510 -0.192 0.000 1.015 10 N CA 1.200 54.132 53.050 -0.197 0.000 0.862 10 N CB -0.139 38.269 38.487 -0.132 0.000 0.986 10 N HN 0.382 nan 8.380 nan 0.000 0.429 11 K N 1.406 121.642 120.400 -0.274 0.000 2.001 11 K HA -0.092 4.228 4.320 0.001 0.000 0.208 11 K C 2.104 178.664 176.600 -0.066 0.000 1.048 11 K CA 1.390 57.540 56.287 -0.229 0.000 0.932 11 K CB -0.046 32.211 32.500 -0.405 0.000 0.715 11 K HN 0.050 nan 8.250 nan 0.000 0.437 12 V N -0.204 119.684 119.914 -0.043 0.000 2.343 12 V HA -0.257 3.863 4.120 0.001 0.000 0.247 12 V C 2.306 178.411 176.094 0.019 0.000 1.051 12 V CA 1.759 64.142 62.300 0.139 0.000 1.036 12 V CB -1.226 30.717 31.823 0.200 0.000 0.654 12 V HN 0.435 nan 8.190 nan 0.000 0.451 13 c N 0.128 118.673 118.600 -0.092 0.000 2.425 13 c HA -0.083 4.487 4.570 0.001 0.000 0.277 13 c C 2.781 176.873 174.090 0.003 0.000 1.280 13 c CA 1.629 57.904 56.329 -0.091 0.000 1.744 13 c CB -1.179 41.257 42.510 -0.123 0.000 1.989 13 c HN 0.710 nan 8.230 nan 0.000 0.491 14 K N 0.911 121.313 120.400 0.003 0.000 2.148 14 K HA -0.145 4.176 4.320 0.001 0.000 0.204 14 K C 1.836 178.502 176.600 0.110 0.000 1.050 14 K CA 1.352 57.660 56.287 0.033 0.000 0.942 14 K CB -0.071 32.423 32.500 -0.009 0.000 0.724 14 K HN 0.574 nan 8.250 nan 0.000 0.446 15 E N -0.456 119.843 120.200 0.165 0.000 2.076 15 E HA -0.139 4.211 4.350 0.001 0.000 0.190 15 E C 1.732 178.502 176.600 0.283 0.000 0.979 15 E CA 0.780 57.358 56.400 0.296 0.000 0.807 15 E CB -0.130 29.846 29.700 0.459 0.000 0.761 15 E HN 0.252 nan 8.360 nan 0.000 0.454 16 F N 1.165 121.057 119.950 -0.098 0.000 2.216 16 F HA -0.203 4.324 4.527 0.000 0.000 0.300 16 F C 2.501 178.239 175.800 -0.104 0.000 1.085 16 F CA 1.378 59.173 58.000 -0.341 0.000 1.326 16 F CB 0.079 38.674 39.000 -0.676 0.000 1.027 16 F HN -0.078 nan 8.300 nan 0.000 0.497 17 S N -1.507 114.268 115.700 0.124 0.000 2.406 17 S HA -0.190 4.280 4.470 0.001 0.000 0.224 17 S C 2.235 176.878 174.600 0.072 0.000 1.030 17 S CA 0.880 59.136 58.200 0.093 0.000 0.958 17 S CB -0.767 62.497 63.200 0.107 0.000 0.811 17 S HN 0.664 nan 8.310 nan 0.000 0.489 18 H N 0.203 119.279 119.070 0.009 0.000 2.502 18 H HA 0.191 4.747 4.556 0.001 0.000 0.283 18 H C 1.477 176.803 175.328 -0.003 0.000 1.015 18 H CA 1.152 57.206 56.048 0.009 0.000 1.298 18 H CB 0.161 29.941 29.762 0.029 0.000 1.411 18 H HN 0.401 nan 8.280 nan 0.000 0.556 19 L N -0.672 120.484 121.223 -0.111 0.000 2.642 19 L HA 0.292 4.632 4.340 0.001 0.000 0.233 19 L C 0.974 177.737 176.870 -0.178 0.000 1.077 19 L CA 0.368 55.111 54.840 -0.161 0.000 0.879 19 L CB 0.694 42.748 42.059 -0.008 0.000 1.151 19 L HN 0.369 nan 8.230 nan 0.000 0.495 20 G N 1.068 109.701 108.800 -0.279 0.000 2.707 20 G HA2 -0.259 3.701 3.960 0.001 0.000 0.686 20 G HA3 -0.259 3.701 3.960 0.001 0.000 0.686 20 G C 0.168 174.737 174.900 -0.552 0.000 1.315 20 G CA 0.103 44.976 45.100 -0.379 0.000 0.832 20 G HN 0.100 nan 8.290 nan 0.000 0.573 21 K N -0.121 119.926 120.400 -0.588 0.000 2.057 21 K HA -0.113 4.208 4.320 0.001 0.000 0.207 21 K C 2.218 178.780 176.600 -0.063 0.000 1.049 21 K CA 2.113 58.157 56.287 -0.404 0.000 0.931 21 K CB -0.170 32.282 32.500 -0.081 0.000 0.714 21 K HN 0.619 nan 8.250 nan 0.000 0.440 22 E N 0.382 120.552 120.200 -0.049 0.000 2.017 22 E HA -0.209 4.142 4.350 0.001 0.000 0.193 22 E C 1.417 178.035 176.600 0.030 0.000 0.997 22 E CA 1.830 58.238 56.400 0.012 0.000 0.804 22 E CB 0.011 29.714 29.700 0.004 0.000 0.757 22 E HN 0.303 nan 8.360 nan 0.000 0.448 23 D N -0.356 120.046 120.400 0.003 0.000 2.219 23 D HA -0.137 4.503 4.640 0.001 0.000 0.205 23 D C 1.493 177.823 176.300 0.050 0.000 0.970 23 D CA 0.536 54.547 54.000 0.017 0.000 0.851 23 D CB -0.241 40.552 40.800 -0.013 0.000 0.943 23 D HN 0.210 nan 8.370 nan 0.000 0.488 24 F N 0.991 120.899 119.950 -0.069 0.000 2.259 24 F HA -0.103 4.424 4.527 0.001 0.000 0.298 24 F C 2.158 178.002 175.800 0.073 0.000 1.088 24 F CA 1.014 59.015 58.000 0.002 0.000 1.358 24 F CB -0.102 38.878 39.000 -0.033 0.000 1.040 24 F HN -0.178 nan 8.300 nan 0.000 0.505 25 T N -0.657 113.986 114.554 0.148 0.000 2.777 25 T HA -0.144 4.206 4.350 0.001 0.000 0.266 25 T C 2.188 176.896 174.700 0.014 0.000 1.040 25 T CA 1.643 63.801 62.100 0.096 0.000 1.141 25 T CB -0.338 68.607 68.868 0.128 0.000 0.868 25 T HN 0.221 nan 8.240 nan 0.000 0.444 26 S N 1.390 117.103 115.700 0.021 0.000 2.355 26 S HA -0.027 4.443 4.470 0.001 0.000 0.222 26 S C 1.949 176.544 174.600 -0.010 0.000 1.031 26 S CA 0.689 58.907 58.200 0.030 0.000 0.993 26 S CB -0.505 62.721 63.200 0.044 0.000 0.859 26 S HN 0.291 nan 8.310 nan 0.000 0.453 27 L N 1.808 122.985 121.223 -0.076 0.000 2.042 27 L HA -0.092 4.248 4.340 0.001 0.000 0.210 27 L C 2.140 178.932 176.870 -0.129 0.000 1.076 27 L CA 1.764 56.534 54.840 -0.117 0.000 0.749 27 L CB -0.803 41.140 42.059 -0.193 0.000 0.893 27 L HN 0.141 nan 8.230 nan 0.000 0.432 28 S N -0.790 114.795 115.700 -0.192 0.000 2.406 28 S HA -0.094 4.376 4.470 0.001 0.000 0.228 28 S C 1.748 176.448 174.600 0.168 0.000 1.020 28 S CA 1.164 59.360 58.200 -0.007 0.000 0.965 28 S CB -0.415 62.741 63.200 -0.074 0.000 0.798 28 S HN 0.437 nan 8.310 nan 0.000 0.488 29 L N 1.848 123.127 121.223 0.092 0.000 2.017 29 L HA -0.017 4.324 4.340 0.001 0.000 0.208 29 L C 2.153 179.117 176.870 0.157 0.000 1.073 29 L CA 1.611 56.536 54.840 0.143 0.000 0.745 29 L CB -0.743 41.396 42.059 0.134 0.000 0.894 29 L HN 0.113 nan 8.230 nan 0.000 0.432 30 V N -0.417 119.549 119.914 0.087 0.000 2.295 30 V HA -0.301 3.819 4.120 0.001 0.000 0.246 30 V C 2.530 178.636 176.094 0.019 0.000 1.049 30 V CA 1.983 64.311 62.300 0.047 0.000 1.024 30 V CB -0.607 31.227 31.823 0.018 0.000 0.648 30 V HN 0.534 nan 8.190 nan 0.000 0.447 31 L N -1.069 120.147 121.223 -0.012 0.000 2.012 31 L HA -0.242 4.099 4.340 0.001 0.000 0.210 31 L C 2.389 179.137 176.870 -0.203 0.000 1.073 31 L CA 2.096 56.855 54.840 -0.135 0.000 0.748 31 L CB -0.284 41.645 42.059 -0.217 0.000 0.891 31 L HN 0.344 nan 8.230 nan 0.000 0.431 32 Y N -1.095 119.230 120.300 0.042 0.000 2.544 32 Y HA -0.045 4.506 4.550 0.000 0.000 0.286 32 Y C 2.649 178.657 175.900 0.181 0.000 1.141 32 Y CA 0.825 59.008 58.100 0.140 0.000 1.299 32 Y CB -0.071 38.482 38.460 0.154 0.000 1.030 32 Y HN 0.177 nan 8.280 nan 0.000 0.543 33 S N 0.084 115.908 115.700 0.207 0.000 2.362 33 S HA -0.127 4.343 4.470 0.001 0.000 0.221 33 S C 2.152 176.741 174.600 -0.020 0.000 1.032 33 S CA 1.092 59.386 58.200 0.157 0.000 0.973 33 S CB -0.137 63.133 63.200 0.117 0.000 0.849 33 S HN 0.551 nan 8.310 nan 0.000 0.465 34 R N 1.853 122.299 120.500 -0.089 0.000 2.115 34 R HA 0.053 4.393 4.340 0.001 0.000 0.230 34 R C 2.078 178.158 176.300 -0.367 0.000 1.111 34 R CA 1.522 57.520 56.100 -0.170 0.000 0.976 34 R CB -0.337 29.895 30.300 -0.114 0.000 0.870 34 R HN 0.241 nan 8.270 nan 0.000 0.445 35 K N 0.412 120.583 120.400 -0.382 0.000 2.097 35 K HA -0.050 4.270 4.320 0.001 0.000 0.205 35 K C -0.287 175.778 176.600 -0.893 0.000 1.050 35 K CA 0.941 56.832 56.287 -0.659 0.000 0.938 35 K CB 0.123 32.291 32.500 -0.554 0.000 0.718 35 K HN 0.185 nan 8.250 nan 0.000 0.442 36 F N 0.586 120.392 119.950 -0.241 0.000 2.449 36 F HA 0.304 4.831 4.527 0.000 0.000 0.329 36 F C -2.050 173.684 175.800 -0.111 0.000 1.245 36 F CA -2.342 55.535 58.000 -0.205 0.000 1.193 36 F CB 1.585 40.510 39.000 -0.126 0.000 1.425 36 F HN -0.020 nan 8.300 nan 0.000 0.544 37 P HA -0.170 nan 4.420 nan 0.000 0.216 37 P C 1.235 178.553 177.300 0.031 0.000 1.150 37 P CA 1.482 64.559 63.100 -0.038 0.000 0.843 37 P CB 0.242 31.936 31.700 -0.010 0.000 0.787 38 S N -1.442 114.321 115.700 0.105 0.000 2.593 38 S HA 0.152 4.622 4.470 0.001 0.000 0.217 38 S C 1.287 176.007 174.600 0.200 0.000 0.966 38 S CA 0.149 58.429 58.200 0.134 0.000 0.914 38 S CB -0.554 62.721 63.200 0.124 0.000 0.776 38 S HN 0.200 nan 8.310 nan 0.000 0.523 39 G N 3.098 112.050 108.800 0.254 0.000 2.365 39 G HA2 0.347 4.308 3.960 0.001 0.000 0.249 39 G HA3 0.347 4.308 3.960 0.001 0.000 0.249 39 G C 0.402 175.579 174.900 0.463 0.000 1.288 39 G CA -0.330 44.940 45.100 0.283 0.000 0.887 39 G HN 0.341 nan 8.290 nan 0.000 0.524 40 T N 0.291 115.004 114.554 0.265 0.000 2.734 40 T HA 0.043 4.393 4.350 0.001 0.000 0.314 40 T C 1.215 175.834 174.700 -0.136 0.000 1.057 40 T CA -0.221 61.991 62.100 0.186 0.000 1.047 40 T CB 0.529 69.423 68.868 0.043 0.000 0.991 40 T HN 0.356 nan 8.240 nan 0.000 0.540 41 F N 1.008 120.401 119.950 -0.930 0.000 2.293 41 F HA 0.043 4.571 4.527 0.000 0.000 0.300 41 F C 2.191 177.627 175.800 -0.608 0.000 1.086 41 F CA 1.289 58.422 58.000 -1.445 0.000 1.375 41 F CB -0.423 37.749 39.000 -1.380 0.000 1.045 41 F HN 0.544 nan 8.300 nan 0.000 0.516 42 E N -0.003 119.937 120.200 -0.433 0.000 2.170 42 E HA -0.099 4.252 4.350 0.001 0.000 0.191 42 E C 2.157 178.612 176.600 -0.242 0.000 0.981 42 E CA 0.708 56.888 56.400 -0.366 0.000 0.830 42 E CB -0.382 29.199 29.700 -0.198 0.000 0.775 42 E HN 0.580 nan 8.360 nan 0.000 0.470 43 Q N 0.213 119.919 119.800 -0.156 0.000 2.119 43 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 43 Q C 2.220 178.165 176.000 -0.091 0.000 0.972 43 Q CA 1.247 57.007 55.803 -0.071 0.000 0.847 43 Q CB 0.102 28.815 28.738 -0.042 0.000 0.903 43 Q HN 0.089 nan 8.270 nan 0.000 0.433 44 V N 0.043 119.887 119.914 -0.116 0.000 2.488 44 V HA -0.162 3.958 4.120 0.001 0.000 0.246 44 V C 2.050 178.046 176.094 -0.162 0.000 1.046 44 V CA 1.606 63.865 62.300 -0.068 0.000 1.053 44 V CB -0.223 31.701 31.823 0.168 0.000 0.679 44 V HN 0.240 nan 8.190 nan 0.000 0.458 45 S N -0.518 114.987 115.700 -0.325 0.000 2.402 45 S HA -0.218 4.253 4.470 0.001 0.000 0.229 45 S C 1.976 176.443 174.600 -0.221 0.000 1.021 45 S CA 1.378 59.364 58.200 -0.358 0.000 0.974 45 S CB -0.218 62.579 63.200 -0.672 0.000 0.800 45 S HN 0.542 nan 8.310 nan 0.000 0.484 46 Q N 1.324 121.023 119.800 -0.167 0.000 2.016 46 Q HA 0.016 4.356 4.340 0.001 0.000 0.200 46 Q C 2.074 178.061 176.000 -0.022 0.000 0.978 46 Q CA 1.145 56.926 55.803 -0.035 0.000 0.833 46 Q CB -0.680 28.090 28.738 0.053 0.000 0.895 46 Q HN 0.430 nan 8.270 nan 0.000 0.427 47 L N -0.441 120.682 121.223 -0.166 0.000 1.989 47 L HA -0.128 4.213 4.340 0.001 0.000 0.211 47 L C 2.130 178.696 176.870 -0.507 0.000 1.071 47 L CA 1.682 56.139 54.840 -0.637 0.000 0.749 47 L CB -0.957 40.643 42.059 -0.764 0.000 0.890 47 L HN 0.144 nan 8.230 nan 0.000 0.431 48 V N 0.101 119.786 119.914 -0.382 0.000 2.380 48 V HA -0.377 3.743 4.120 0.001 0.000 0.251 48 V C 2.714 178.706 176.094 -0.170 0.000 1.063 48 V CA 2.279 64.398 62.300 -0.301 0.000 1.055 48 V CB -0.825 30.916 31.823 -0.137 0.000 0.657 48 V HN 0.569 nan 8.190 nan 0.000 0.455 49 K N -0.359 119.964 120.400 -0.128 0.000 2.057 49 K HA -0.195 4.126 4.320 0.001 0.000 0.207 49 K C 2.168 178.739 176.600 -0.048 0.000 1.049 49 K CA 1.485 57.740 56.287 -0.053 0.000 0.931 49 K CB -0.030 32.447 32.500 -0.039 0.000 0.714 49 K HN 0.505 nan 8.250 nan 0.000 0.440 50 E N 0.402 120.542 120.200 -0.099 0.000 2.047 50 E HA -0.139 4.211 4.350 0.001 0.000 0.191 50 E C 2.208 178.742 176.600 -0.110 0.000 0.987 50 E CA 1.048 57.396 56.400 -0.086 0.000 0.799 50 E CB -0.468 29.161 29.700 -0.117 0.000 0.752 50 E HN 0.125 nan 8.360 nan 0.000 0.449 51 V N 1.784 121.581 119.914 -0.196 0.000 2.282 51 V HA -0.233 3.887 4.120 0.001 0.000 0.249 51 V C 2.638 178.774 176.094 0.070 0.000 1.057 51 V CA 1.629 63.860 62.300 -0.115 0.000 1.032 51 V CB -0.624 31.042 31.823 -0.261 0.000 0.645 51 V HN 0.058 nan 8.190 nan 0.000 0.447 52 V N -0.540 119.447 119.914 0.122 0.000 2.515 52 V HA -0.220 3.900 4.120 0.001 0.000 0.250 52 V C 2.592 178.743 176.094 0.096 0.000 1.058 52 V CA 2.086 64.544 62.300 0.263 0.000 1.064 52 V CB -0.517 31.493 31.823 0.312 0.000 0.675 52 V HN 0.616 nan 8.190 nan 0.000 0.461 53 S N 0.168 115.888 115.700 0.033 0.000 2.338 53 S HA -0.137 4.333 4.470 0.001 0.000 0.218 53 S C 1.968 176.532 174.600 -0.059 0.000 1.032 53 S CA 1.721 59.914 58.200 -0.011 0.000 0.999 53 S CB -0.321 62.874 63.200 -0.008 0.000 0.905 53 S HN 0.513 nan 8.310 nan 0.000 0.439 54 L N 0.875 122.068 121.223 -0.050 0.000 2.013 54 L HA -0.145 4.196 4.340 0.001 0.000 0.212 54 L C 2.835 179.660 176.870 -0.075 0.000 1.073 54 L CA 1.893 56.696 54.840 -0.061 0.000 0.753 54 L CB -1.744 40.270 42.059 -0.076 0.000 0.890 54 L HN 0.330 nan 8.230 nan 0.000 0.432 55 T N -0.820 113.687 114.554 -0.079 0.000 2.665 55 T HA -0.276 4.074 4.350 0.001 0.000 0.268 55 T C 1.814 176.180 174.700 -0.557 0.000 1.035 55 T CA 1.901 63.873 62.100 -0.213 0.000 1.151 55 T CB -0.231 68.500 68.868 -0.229 0.000 0.862 55 T HN 0.427 nan 8.240 nan 0.000 0.438 56 E N 0.722 120.522 120.200 -0.666 0.000 2.051 56 E HA -0.126 4.224 4.350 0.001 0.000 0.192 56 E C 2.425 178.793 176.600 -0.387 0.000 0.991 56 E CA 1.045 56.964 56.400 -0.801 0.000 0.799 56 E CB -0.228 29.220 29.700 -0.421 0.000 0.748 56 E HN 0.467 nan 8.360 nan 0.000 0.449 57 A N 0.549 123.237 122.820 -0.220 0.000 1.845 57 A HA -0.199 4.121 4.320 0.001 0.000 0.215 57 A C 2.468 179.988 177.584 -0.107 0.000 1.195 57 A CA 1.522 53.485 52.037 -0.124 0.000 0.616 57 A CB -0.972 17.982 19.000 -0.078 0.000 0.832 57 A HN 0.547 nan 8.150 nan 0.000 0.443 58 c N -1.425 117.123 118.600 -0.086 0.000 2.449 58 c HA -0.040 4.530 4.570 0.001 0.000 0.283 58 c C 2.373 176.424 174.090 -0.064 0.000 1.453 58 c CA 0.572 56.885 56.329 -0.027 0.000 1.779 58 c CB -1.797 40.763 42.510 0.084 0.000 1.779 58 c HN 0.703 nan 8.230 nan 0.000 0.546 59 c N 0.383 118.889 118.600 -0.156 0.000 2.926 59 c HA 0.434 5.004 4.570 0.001 0.000 0.272 59 c C 1.649 175.661 174.090 -0.130 0.000 1.249 59 c CA -0.706 55.521 56.329 -0.169 0.000 1.691 59 c CB -1.756 40.585 42.510 -0.283 0.000 1.983 59 c HN 0.636 nan 8.230 nan 0.000 0.615 60 A N 1.251 123.998 122.820 -0.122 0.000 2.462 60 A HA 0.253 4.573 4.320 0.001 0.000 0.243 60 A C 0.226 177.784 177.584 -0.044 0.000 1.076 60 A CA 0.095 52.087 52.037 -0.075 0.000 0.773 60 A CB 0.086 19.045 19.000 -0.067 0.000 1.010 60 A HN 0.626 nan 8.150 nan 0.000 0.493 61 E N 0.742 120.927 120.200 -0.026 0.000 2.480 61 E HA 0.291 4.641 4.350 0.001 0.000 0.258 61 E C 1.232 177.823 176.600 -0.015 0.000 0.984 61 E CA 1.123 57.514 56.400 -0.016 0.000 0.930 61 E CB -0.047 29.649 29.700 -0.007 0.000 0.936 61 E HN 1.422 nan 8.360 nan 0.000 0.466 62 G N 2.615 111.407 108.800 -0.014 0.000 2.157 62 G HA2 -0.302 3.659 3.960 0.001 0.000 0.248 62 G HA3 -0.302 3.659 3.960 0.001 0.000 0.248 62 G C 0.276 175.169 174.900 -0.012 0.000 0.979 62 G CA -0.024 45.069 45.100 -0.010 0.000 0.650 62 G HN 0.861 nan 8.290 nan 0.000 0.529 63 A N 0.332 123.142 122.820 -0.017 0.000 2.498 63 A HA 0.485 4.805 4.320 0.001 0.000 0.239 63 A C 0.392 177.972 177.584 -0.006 0.000 1.068 63 A CA 0.520 52.547 52.037 -0.016 0.000 0.766 63 A CB 0.181 19.165 19.000 -0.026 0.000 1.003 63 A HN 0.410 nan 8.150 nan 0.000 0.497 64 D N 3.608 124.007 120.400 -0.002 0.000 2.487 64 D HA 0.231 4.871 4.640 0.001 0.000 0.243 64 D C -1.680 174.629 176.300 0.014 0.000 1.154 64 D CA -0.714 53.289 54.000 0.005 0.000 0.876 64 D CB 0.193 40.996 40.800 0.005 0.000 1.161 64 D HN 0.255 nan 8.370 nan 0.000 0.478 65 P HA -0.105 nan 4.420 nan 0.000 0.222 65 P C 0.770 178.093 177.300 0.038 0.000 1.142 65 P CA 1.484 64.597 63.100 0.021 0.000 0.788 65 P CB 0.141 31.850 31.700 0.015 0.000 0.767 66 D N -2.141 118.281 120.400 0.035 0.000 2.392 66 D HA -0.022 4.618 4.640 0.001 0.000 0.206 66 D C 1.781 178.110 176.300 0.049 0.000 1.046 66 D CA 0.363 54.389 54.000 0.043 0.000 0.865 66 D CB -1.135 nan 40.800 nan 0.000 0.969 66 D HN 0.142 nan 8.370 nan 0.000 0.509 67 c N -0.258 118.368 118.600 0.042 0.000 2.303 67 c HA -0.281 4.289 4.570 0.001 0.000 0.273 67 c C 2.202 176.319 174.090 0.045 0.000 1.154 67 c CA 1.887 58.236 56.329 0.034 0.000 1.784 67 c CB -1.413 41.115 42.510 0.030 0.000 1.993 67 c HN 0.682 nan 8.230 nan 0.000 0.430 68 Y N 1.728 122.014 120.300 -0.024 0.000 2.081 68 Y HA -0.196 4.355 4.550 0.001 0.000 0.280 68 Y C 2.345 178.245 175.900 0.001 0.000 1.163 68 Y CA 2.540 60.629 58.100 -0.018 0.000 1.135 68 Y CB -0.604 37.843 38.460 -0.020 0.000 0.970 68 Y HN 0.492 nan 8.280 nan 0.000 0.498 69 D N -1.154 119.298 120.400 0.086 0.000 2.310 69 D HA -0.108 4.533 4.640 0.001 0.000 0.212 69 D C 1.798 178.068 176.300 -0.050 0.000 0.965 69 D CA 1.547 55.553 54.000 0.011 0.000 0.879 69 D CB 0.043 40.909 40.800 0.111 0.000 0.921 69 D HN 0.447 nan 8.370 nan 0.000 0.510 70 T N 0.697 115.226 114.554 -0.043 0.000 2.901 70 T HA -0.012 4.339 4.350 0.001 0.000 0.252 70 T C 2.002 176.662 174.700 -0.067 0.000 1.035 70 T CA 0.286 62.364 62.100 -0.038 0.000 1.142 70 T CB 0.338 69.197 68.868 -0.016 0.000 0.869 70 T HN 0.016 nan 8.240 nan 0.000 0.442 71 R N 1.594 122.034 120.500 -0.100 0.000 2.073 71 R HA -0.064 4.277 4.340 0.001 0.000 0.234 71 R C 2.894 179.109 176.300 -0.142 0.000 1.134 71 R CA 1.929 57.964 56.100 -0.108 0.000 0.952 71 R CB -1.649 28.580 30.300 -0.118 0.000 0.850 71 R HN 0.602 nan 8.270 nan 0.000 0.433 72 T N -0.571 113.829 114.554 -0.257 0.000 2.849 72 T HA -0.153 4.197 4.350 0.001 0.000 0.270 72 T C 2.053 176.687 174.700 -0.110 0.000 1.066 72 T CA 1.713 63.666 62.100 -0.244 0.000 1.130 72 T CB -0.290 68.326 68.868 -0.420 0.000 0.864 72 T HN 0.334 nan 8.240 nan 0.000 0.481 73 S N 1.532 117.184 115.700 -0.081 0.000 2.446 73 S HA 0.365 4.835 4.470 0.001 0.000 0.225 73 S C 2.331 176.927 174.600 -0.006 0.000 1.016 73 S CA 0.363 58.547 58.200 -0.026 0.000 0.943 73 S CB -0.571 62.619 63.200 -0.016 0.000 0.786 73 S HN 0.683 nan 8.310 nan 0.000 0.508 74 A N 0.916 123.726 122.820 -0.016 0.000 2.167 74 A HA 0.347 4.667 4.320 0.001 0.000 0.214 74 A C 2.020 179.627 177.584 0.037 0.000 1.151 74 A CA 0.740 52.780 52.037 0.005 0.000 0.735 74 A CB -0.515 18.482 19.000 -0.005 0.000 0.802 74 A HN 0.515 nan 8.150 nan 0.000 0.467 75 L N 0.384 121.622 121.223 0.024 0.000 2.127 75 L HA -0.026 4.315 4.340 0.001 0.000 0.203 75 L C 2.604 179.545 176.870 0.118 0.000 1.080 75 L CA 2.566 57.447 54.840 0.067 0.000 0.768 75 L CB -0.624 41.400 42.059 -0.057 0.000 0.924 75 L HN 0.401 nan 8.230 nan 0.000 0.444 76 S N -0.459 115.280 115.700 0.066 0.000 2.402 76 S HA -0.045 4.425 4.470 0.001 0.000 0.229 76 S C 2.110 176.764 174.600 0.089 0.000 1.021 76 S CA 0.686 58.938 58.200 0.086 0.000 0.974 76 S CB -0.902 62.336 63.200 0.065 0.000 0.800 76 S HN 0.461 nan 8.310 nan 0.000 0.484 77 A N 2.328 125.187 122.820 0.065 0.000 1.902 77 A HA 0.045 4.365 4.320 0.001 0.000 0.217 77 A C 2.443 180.052 177.584 0.042 0.000 1.181 77 A CA 2.205 54.268 52.037 0.044 0.000 0.623 77 A CB -1.409 17.607 19.000 0.026 0.000 0.818 77 A HN 0.736 nan 8.150 nan 0.000 0.443 78 K N -0.525 119.916 120.400 0.068 0.000 2.211 78 K HA 0.007 4.327 4.320 0.001 0.000 0.203 78 K C 1.884 178.488 176.600 0.006 0.000 1.050 78 K CA 1.722 58.010 56.287 0.002 0.000 0.945 78 K CB -1.114 31.386 32.500 0.001 0.000 0.732 78 K HN 0.466 nan 8.250 nan 0.000 0.451 79 S N -0.326 115.468 115.700 0.156 0.000 2.603 79 S HA 0.017 4.488 4.470 0.001 0.000 0.229 79 S C 1.152 175.795 174.600 0.072 0.000 0.972 79 S CA 0.683 58.978 58.200 0.158 0.000 0.935 79 S CB -0.562 62.756 63.200 0.198 0.000 0.769 79 S HN 0.702 nan 8.310 nan 0.000 0.536 80 c N 0.402 119.025 118.600 0.039 0.000 3.491 80 c HA 0.338 4.909 4.570 0.001 0.000 0.298 80 c C 2.212 176.301 174.090 -0.002 0.000 1.424 80 c CA -0.108 56.237 56.329 0.026 0.000 1.772 80 c CB -0.756 41.774 42.510 0.033 0.000 2.447 80 c HN 0.716 nan 8.230 nan 0.000 0.670 81 E N 0.911 121.094 120.200 -0.029 0.000 2.515 81 E HA 0.211 4.562 4.350 0.001 0.000 0.201 81 E C 1.534 178.108 176.600 -0.044 0.000 1.071 81 E CA 1.903 58.275 56.400 -0.048 0.000 0.880 81 E CB -1.031 28.616 29.700 -0.088 0.000 0.828 81 E HN 1.008 nan 8.360 nan 0.000 0.540 82 S N 0.420 116.101 115.700 -0.031 0.000 1.577 82 S HA -0.293 4.177 4.470 0.001 0.000 0.240 82 S C 1.225 175.801 174.600 -0.040 0.000 0.755 82 S CA 1.327 59.513 58.200 -0.024 0.000 1.398 82 S CB -1.878 nan 63.200 nan 0.000 1.552 82 S HN 0.559 nan 8.310 nan 0.000 0.510 83 N N 2.355 121.022 118.700 -0.055 0.000 2.843 83 N HA 0.302 5.042 4.740 0.001 0.000 0.284 83 N C -0.113 175.329 175.510 -0.113 0.000 1.274 83 N CA 0.739 53.747 53.050 -0.069 0.000 1.045 83 N CB 0.490 38.939 38.487 -0.063 0.000 1.370 83 N HN 0.741 nan 8.380 nan 0.000 0.525 84 S N 1.608 117.234 115.700 -0.123 0.000 2.565 84 S HA 0.227 4.698 4.470 0.001 0.000 0.276 84 S C -1.167 173.288 174.600 -0.242 0.000 1.326 84 S CA -1.044 57.029 58.200 -0.211 0.000 1.045 84 S CB 0.984 64.091 63.200 -0.156 0.000 0.918 84 S HN 0.251 nan 8.310 nan 0.000 0.505 85 P HA 0.208 nan 4.420 nan 0.000 0.255 85 P C -0.422 176.771 177.300 -0.179 0.000 1.248 85 P CA 0.100 63.001 63.100 -0.332 0.000 0.807 85 P CB -0.054 31.395 31.700 -0.417 0.000 1.150 86 F N 0.733 120.591 119.950 -0.153 0.000 2.483 86 F HA 0.471 4.998 4.527 0.000 0.000 0.329 86 F C -1.748 173.892 175.800 -0.266 0.000 1.064 86 F CA -3.245 54.617 58.000 -0.230 0.000 0.986 86 F CB 0.784 39.643 39.000 -0.236 0.000 1.218 86 F HN -0.299 nan 8.300 nan 0.000 0.484 87 P HA 0.374 nan 4.420 nan 0.000 0.288 87 P C -1.195 175.941 177.300 -0.273 0.000 1.291 87 P CA -0.164 62.743 63.100 -0.323 0.000 0.766 87 P CB 0.452 31.752 31.700 -0.666 0.000 1.242 88 V N -1.668 118.192 119.914 -0.089 0.000 2.823 88 V HA 0.293 4.413 4.120 0.001 0.000 0.296 88 V C -0.541 175.677 176.094 0.206 0.000 1.250 88 V CA -0.819 61.533 62.300 0.086 0.000 0.939 88 V CB 1.007 32.876 31.823 0.077 0.000 1.062 88 V HN 0.430 nan 8.190 nan 0.000 0.433 89 H N 3.973 123.263 119.070 0.366 0.000 2.690 89 H HA 0.302 4.858 4.556 0.001 0.000 0.365 89 H C -2.277 173.145 175.328 0.156 0.000 1.142 89 H CA -1.354 54.841 56.048 0.245 0.000 1.417 89 H CB 1.466 31.333 29.762 0.176 0.000 1.446 89 H HN 0.539 nan 8.280 nan 0.000 0.599 90 P HA -0.014 nan 4.420 nan 0.000 0.255 90 P C 0.586 177.966 177.300 0.134 0.000 1.173 90 P CA 1.122 64.320 63.100 0.163 0.000 0.780 90 P CB -0.027 31.753 31.700 0.132 0.000 0.758 91 G N 2.254 111.121 108.800 0.112 0.000 2.176 91 G HA2 -0.326 3.635 3.960 0.001 0.000 0.252 91 G HA3 -0.326 3.635 3.960 0.001 0.000 0.252 91 G C 1.071 176.032 174.900 0.102 0.000 1.024 91 G CA 0.496 45.650 45.100 0.089 0.000 0.755 91 G HN 0.663 nan 8.290 nan 0.000 0.507 92 T N -1.055 113.581 114.554 0.137 0.000 2.929 92 T HA 0.358 4.708 4.350 0.001 0.000 0.271 92 T C 2.495 177.257 174.700 0.103 0.000 1.085 92 T CA 2.859 65.048 62.100 0.149 0.000 1.125 92 T CB -0.179 68.807 68.868 0.197 0.000 0.874 92 T HN 1.590 nan 8.240 nan 0.000 0.494 93 A N 1.322 124.192 122.820 0.083 0.000 1.898 93 A HA 0.292 4.612 4.320 0.001 0.000 0.216 93 A C 2.288 179.903 177.584 0.052 0.000 1.181 93 A CA 1.920 53.993 52.037 0.060 0.000 0.620 93 A CB -1.048 17.982 19.000 0.049 0.000 0.819 93 A HN 0.679 nan 8.150 nan 0.000 0.442 94 E N -1.090 119.141 120.200 0.051 0.000 2.482 94 E HA 0.075 4.425 4.350 0.001 0.000 0.200 94 E C 1.286 177.911 176.600 0.042 0.000 1.147 94 E CA 1.001 57.426 56.400 0.041 0.000 0.912 94 E CB -1.439 28.283 29.700 0.038 0.000 0.938 94 E HN 0.810 nan 8.360 nan 0.000 0.519 95 c N -2.064 116.566 118.600 0.051 0.000 3.931 95 c HA 0.283 4.853 4.570 0.001 0.000 0.378 95 c C 1.390 175.511 174.090 0.051 0.000 1.554 95 c CA 0.593 56.952 56.329 0.051 0.000 1.926 95 c CB -0.561 41.988 42.510 0.064 0.000 2.837 95 c HN 0.603 nan 8.230 nan 0.000 0.701 96 c N 3.704 122.334 118.600 0.051 0.000 2.842 96 c HA 0.420 4.991 4.570 0.001 0.000 0.472 96 c C 0.965 175.075 174.090 0.034 0.000 1.272 96 c CA 0.856 57.212 56.329 0.046 0.000 1.549 96 c CB -2.945 39.592 42.510 0.045 0.000 1.870 96 c HN 0.844 nan 8.230 nan 0.000 0.613 106 c N 1.121 119.750 118.600 0.048 0.000 2.514 106 c HA 0.109 4.679 4.570 0.001 0.000 0.271 106 c C 2.040 176.165 174.090 0.058 0.000 1.399 106 c CA 0.178 56.532 56.329 0.041 0.000 1.765 106 c CB -0.841 41.691 42.510 0.037 0.000 1.893 106 c HN 0.824 nan 8.230 nan 0.000 0.531 107 M N 1.536 121.188 119.600 0.085 0.000 2.682 107 M HA 0.156 4.637 4.480 0.001 0.000 0.235 107 M C 1.848 178.233 176.300 0.142 0.000 1.114 107 M CA 0.720 56.100 55.300 0.133 0.000 1.053 107 M CB -0.054 32.630 32.600 0.140 0.000 1.599 107 M HN 0.500 nan 8.290 nan 0.000 0.520 108 A N 0.024 122.902 122.820 0.097 0.000 1.956 108 A HA 0.507 4.827 4.320 0.001 0.000 0.212 108 A C 1.065 178.685 177.584 0.061 0.000 1.188 108 A CA 0.722 52.816 52.037 0.095 0.000 0.675 108 A CB 0.118 19.168 19.000 0.083 0.000 0.845 108 A HN 0.488 nan 8.150 nan 0.000 0.455 109 A N -0.001 122.831 122.820 0.020 0.000 2.984 109 A HA 0.622 4.942 4.320 0.001 0.000 0.320 109 A C -0.768 176.763 177.584 -0.088 0.000 1.142 109 A CA -0.203 51.814 52.037 -0.033 0.000 0.772 109 A CB 0.012 19.003 19.000 -0.014 0.000 1.195 109 A HN 0.370 nan 8.150 nan 0.000 0.459 110 L N 0.913 122.018 121.223 -0.197 0.000 2.334 110 L HA 0.600 4.940 4.340 0.001 0.000 0.270 110 L C 0.162 176.771 176.870 -0.434 0.000 1.018 110 L CA -0.825 53.850 54.840 -0.275 0.000 0.811 110 L CB 1.735 43.645 42.059 -0.249 0.000 1.271 110 L HN 0.592 nan 8.230 nan 0.000 0.443 111 K N 2.146 122.380 120.400 -0.276 0.000 2.118 111 K HA 0.335 4.656 4.320 0.001 0.000 0.267 111 K C -1.338 175.196 176.600 -0.110 0.000 0.991 111 K CA -0.533 55.631 56.287 -0.206 0.000 0.916 111 K CB 0.698 33.111 32.500 -0.145 0.000 1.041 111 K HN 0.685 nan 8.250 nan 0.000 0.455 112 H N 2.046 121.046 119.070 -0.116 0.000 2.609 112 H HA 0.229 4.785 4.556 0.000 0.000 0.344 112 H C -0.998 174.316 175.328 -0.024 0.000 1.040 112 H CA -0.859 55.195 56.048 0.010 0.000 1.216 112 H CB 0.925 30.739 29.762 0.087 0.000 1.529 112 H HN 0.544 nan 8.280 nan 0.000 0.519 113 Q N 2.966 122.737 119.800 -0.048 0.000 2.421 113 Q HA 0.198 4.539 4.340 0.001 0.000 0.255 113 Q C -2.095 173.846 176.000 -0.099 0.000 1.013 113 Q CA -1.463 54.275 55.803 -0.109 0.000 0.895 113 Q CB 0.548 29.259 28.738 -0.044 0.000 1.271 113 Q HN 0.498 nan 8.270 nan 0.000 0.460 114 P HA -0.078 nan 4.420 nan 0.000 0.270 114 P C -1.140 176.097 177.300 -0.106 0.000 1.223 114 P CA -0.084 62.940 63.100 -0.126 0.000 0.785 114 P CB 0.476 32.085 31.700 -0.152 0.000 0.923 115 Q N 1.068 120.785 119.800 -0.139 0.000 2.360 115 Q HA 0.118 4.459 4.340 0.001 0.000 0.254 115 Q C 0.192 176.041 176.000 -0.252 0.000 0.975 115 Q CA 0.455 56.159 55.803 -0.166 0.000 0.912 115 Q CB 0.418 29.026 28.738 -0.218 0.000 1.212 115 Q HN 0.350 nan 8.270 nan 0.000 0.452 116 E N 2.909 122.924 120.200 -0.308 0.000 2.447 116 E HA 0.092 4.442 4.350 0.001 0.000 0.195 116 E C -0.664 175.418 176.600 -0.864 0.000 1.028 116 E CA 0.208 56.253 56.400 -0.593 0.000 0.876 116 E CB 0.440 29.701 29.700 -0.732 0.000 0.885 116 E HN 0.504 nan 8.360 nan 0.000 0.500 117 F N 1.578 121.436 119.950 -0.153 0.000 2.584 117 F HA 0.262 4.790 4.527 0.001 0.000 0.328 117 F C -2.275 173.429 175.800 -0.160 0.000 1.407 117 F CA -2.691 55.218 58.000 -0.152 0.000 1.145 117 F CB 0.717 39.620 39.000 -0.161 0.000 1.440 117 F HN -0.192 nan 8.300 nan 0.000 0.580 118 P HA 0.040 nan 4.420 nan 0.000 0.266 118 P C 0.740 178.012 177.300 -0.047 0.000 1.195 118 P CA 0.270 63.246 63.100 -0.207 0.000 0.768 118 P CB 1.407 32.793 31.700 -0.523 0.000 0.838 119 T N -1.026 113.510 114.554 -0.030 0.000 3.014 119 T HA -0.002 4.348 4.350 0.001 0.000 0.250 119 T C 0.754 175.495 174.700 0.068 0.000 1.060 119 T CA -0.147 61.967 62.100 0.022 0.000 1.040 119 T CB -0.824 68.053 68.868 0.015 0.000 0.971 119 T HN 0.353 nan 8.240 nan 0.000 0.497 120 Y N 2.711 123.000 120.300 -0.018 0.000 2.805 120 Y HA 0.310 4.860 4.550 0.001 0.000 0.331 120 Y C -0.815 175.156 175.900 0.119 0.000 1.241 120 Y CA -0.165 57.974 58.100 0.065 0.000 1.546 120 Y CB 0.277 38.810 38.460 0.122 0.000 1.248 120 Y HN -0.008 nan 8.280 nan 0.000 0.559 121 V N 7.827 127.399 119.914 -0.571 0.000 2.419 121 V HA 0.109 4.230 4.120 0.001 0.000 0.287 121 V C -0.275 175.444 176.094 -0.625 0.000 1.017 121 V CA -1.170 60.865 62.300 -0.442 0.000 0.844 121 V CB 1.299 33.020 31.823 -0.171 0.000 1.011 121 V HN 0.803 nan 8.190 nan 0.000 0.429 122 E N 6.412 126.267 120.200 -0.574 0.000 2.480 122 E HA 0.142 4.492 4.350 0.001 0.000 0.258 122 E C -2.183 174.355 176.600 -0.103 0.000 0.984 122 E CA -0.948 55.306 56.400 -0.244 0.000 0.930 122 E CB 0.920 30.654 29.700 0.057 0.000 0.936 122 E HN 0.432 nan 8.360 nan 0.000 0.466 123 P HA 0.054 nan 4.420 nan 0.000 0.275 123 P C -0.648 176.631 177.300 -0.035 0.000 1.266 123 P CA -0.452 62.640 63.100 -0.013 0.000 0.793 123 P CB 0.482 32.207 31.700 0.043 0.000 1.074 124 T N -2.720 111.807 114.554 -0.046 0.000 2.748 124 T HA 0.077 4.427 4.350 0.001 0.000 0.304 124 T C 1.095 175.716 174.700 -0.131 0.000 1.041 124 T CA -0.092 61.958 62.100 -0.082 0.000 1.033 124 T CB -0.161 68.673 68.868 -0.056 0.000 0.995 124 T HN 0.277 nan 8.240 nan 0.000 0.536 125 N N 0.556 119.129 118.700 -0.212 0.000 2.120 125 N HA -0.148 4.593 4.740 0.001 0.000 0.188 125 N C 1.302 176.767 175.510 -0.076 0.000 1.024 125 N CA 1.310 54.182 53.050 -0.297 0.000 0.852 125 N CB -0.171 38.109 38.487 -0.345 0.000 1.003 125 N HN 0.624 nan 8.380 nan 0.000 0.424 126 D N 1.077 121.454 120.400 -0.038 0.000 2.104 126 D HA -0.148 4.493 4.640 0.001 0.000 0.194 126 D C 1.686 177.983 176.300 -0.005 0.000 0.994 126 D CA 1.172 55.171 54.000 -0.002 0.000 0.830 126 D CB -0.252 40.547 40.800 -0.002 0.000 0.959 126 D HN 0.396 nan 8.370 nan 0.000 0.452 127 E N 0.064 120.255 120.200 -0.015 0.000 2.106 127 E HA -0.078 4.272 4.350 0.001 0.000 0.192 127 E C 2.383 178.978 176.600 -0.010 0.000 0.984 127 E CA 0.302 56.701 56.400 -0.001 0.000 0.806 127 E CB 0.020 29.726 29.700 0.009 0.000 0.750 127 E HN 0.300 nan 8.360 nan 0.000 0.458 128 I N 0.773 121.323 120.570 -0.033 0.000 2.127 128 I HA -0.332 3.838 4.170 0.001 0.000 0.241 128 I C 2.341 178.349 176.117 -0.181 0.000 1.075 128 I CA 0.898 62.142 61.300 -0.094 0.000 1.334 128 I CB -0.258 37.698 38.000 -0.072 0.000 1.040 128 I HN 0.246 nan 8.210 nan 0.000 0.405 129 c N 0.240 118.809 118.600 -0.051 0.000 2.432 129 c HA -0.123 4.447 4.570 0.001 0.000 0.280 129 c C 2.708 176.809 174.090 0.017 0.000 1.353 129 c CA 0.673 57.010 56.329 0.013 0.000 1.766 129 c CB -1.080 41.472 42.510 0.071 0.000 1.924 129 c HN 0.534 nan 8.230 nan 0.000 0.509 130 E N 1.213 121.411 120.200 -0.003 0.000 2.106 130 E HA -0.144 4.206 4.350 0.001 0.000 0.192 130 E C 2.131 178.729 176.600 -0.003 0.000 0.984 130 E CA 1.302 57.703 56.400 0.003 0.000 0.806 130 E CB -0.093 29.612 29.700 0.008 0.000 0.750 130 E HN 0.606 nan 8.360 nan 0.000 0.458 131 A N 0.144 122.951 122.820 -0.022 0.000 2.021 131 A HA -0.026 4.294 4.320 0.001 0.000 0.216 131 A C 1.792 179.363 177.584 -0.021 0.000 1.163 131 A CA 0.349 52.393 52.037 0.010 0.000 0.676 131 A CB -0.529 18.527 19.000 0.092 0.000 0.818 131 A HN 0.459 nan 8.150 nan 0.000 0.453 132 F N 0.625 120.362 119.950 -0.355 0.000 2.206 132 F HA 0.001 4.528 4.527 0.000 0.000 0.298 132 F C 2.151 177.890 175.800 -0.102 0.000 1.090 132 F CA 1.386 59.195 58.000 -0.319 0.000 1.323 132 F CB -0.185 38.551 39.000 -0.439 0.000 1.028 132 F HN 0.130 nan 8.300 nan 0.000 0.492 133 R N 0.643 121.065 120.500 -0.129 0.000 2.062 133 R HA -0.102 4.238 4.340 0.001 0.000 0.231 133 R C 2.325 178.532 176.300 -0.155 0.000 1.136 133 R CA 1.672 57.668 56.100 -0.174 0.000 0.948 133 R CB -0.317 29.949 30.300 -0.056 0.000 0.845 133 R HN 0.139 nan 8.270 nan 0.000 0.430 134 K N -0.693 119.661 120.400 -0.077 0.000 2.034 134 K HA -0.171 4.149 4.320 0.001 0.000 0.214 134 K C -0.007 176.562 176.600 -0.051 0.000 1.051 134 K CA 1.655 57.918 56.287 -0.040 0.000 0.931 134 K CB -0.036 32.466 32.500 0.003 0.000 0.715 134 K HN 0.107 nan 8.250 nan 0.000 0.446 135 D N -2.254 118.115 120.400 -0.051 0.000 2.312 135 D HA 0.146 4.787 4.640 0.001 0.000 0.229 135 D C -2.420 173.874 176.300 -0.011 0.000 1.337 135 D CA -1.542 52.439 54.000 -0.032 0.000 0.964 135 D CB 1.409 42.232 40.800 0.038 0.000 1.456 135 D HN -0.248 nan 8.370 nan 0.000 0.547 136 P HA -0.197 nan 4.420 nan 0.000 0.215 136 P C 1.309 178.724 177.300 0.193 0.000 1.163 136 P CA 1.516 64.539 63.100 -0.128 0.000 0.894 136 P CB 0.477 31.964 31.700 -0.355 0.000 0.791 137 K N 0.143 120.614 120.400 0.118 0.000 2.032 137 K HA -0.223 4.097 4.320 0.001 0.000 0.209 137 K C 2.147 178.861 176.600 0.191 0.000 1.048 137 K CA 1.811 58.188 56.287 0.149 0.000 0.927 137 K CB -0.874 31.686 32.500 0.100 0.000 0.712 137 K HN -0.115 nan 8.250 nan 0.000 0.441 138 E N -0.501 119.807 120.200 0.181 0.000 2.038 138 E HA -0.243 4.108 4.350 0.001 0.000 0.195 138 E C 1.969 178.712 176.600 0.238 0.000 1.000 138 E CA 1.721 58.244 56.400 0.205 0.000 0.803 138 E CB -0.701 29.099 29.700 0.167 0.000 0.750 138 E HN 0.450 nan 8.360 nan 0.000 0.448 139 Y N 0.651 121.057 120.300 0.178 0.000 2.081 139 Y HA -0.272 4.279 4.550 0.000 0.000 0.280 139 Y C 2.156 178.237 175.900 0.301 0.000 1.163 139 Y CA 2.395 60.634 58.100 0.232 0.000 1.135 139 Y CB -1.071 37.565 38.460 0.293 0.000 0.970 139 Y HN 0.120 nan 8.280 nan 0.000 0.498 140 A N 0.659 123.560 122.820 0.135 0.000 1.917 140 A HA -0.266 4.054 4.320 0.001 0.000 0.219 140 A C 2.108 179.794 177.584 0.169 0.000 1.182 140 A CA 2.123 54.230 52.037 0.116 0.000 0.633 140 A CB -0.865 18.275 19.000 0.233 0.000 0.819 140 A HN 0.646 nan 8.150 nan 0.000 0.448 141 N N -0.597 118.228 118.700 0.208 0.000 2.106 141 N HA -0.136 4.604 4.740 0.001 0.000 0.188 141 N C 1.899 177.606 175.510 0.329 0.000 1.029 141 N CA 1.317 54.546 53.050 0.299 0.000 0.848 141 N CB -0.499 38.212 38.487 0.374 0.000 1.007 141 N HN 0.511 nan 8.380 nan 0.000 0.423 142 Q N 0.223 120.083 119.800 0.100 0.000 2.135 142 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 142 Q C 1.865 177.932 176.000 0.112 0.000 0.981 142 Q CA 1.005 56.673 55.803 -0.225 0.000 0.856 142 Q CB -0.364 28.201 28.738 -0.289 0.000 0.902 142 Q HN 0.367 nan 8.270 nan 0.000 0.425 143 F N 0.397 120.314 119.950 -0.054 0.000 2.113 143 F HA -0.105 4.422 4.527 0.000 0.000 0.297 143 F C 2.150 177.973 175.800 0.038 0.000 1.103 143 F CA 1.320 59.293 58.000 -0.046 0.000 1.248 143 F CB -0.333 38.499 39.000 -0.279 0.000 0.999 143 F HN 0.008 nan 8.300 nan 0.000 0.475 144 M N -1.321 118.176 119.600 -0.172 0.000 2.159 144 M HA -0.203 4.277 4.480 0.001 0.000 0.263 144 M C 2.065 178.336 176.300 -0.048 0.000 1.063 144 M CA 2.053 57.233 55.300 -0.200 0.000 1.110 144 M CB -0.802 31.828 32.600 0.049 0.000 1.374 144 M HN 0.524 nan 8.290 nan 0.000 0.411 145 W N 1.463 122.756 121.300 -0.011 0.000 2.380 145 W HA -0.162 4.498 4.660 0.000 0.000 0.317 145 W C 2.171 178.690 176.519 -0.000 0.000 1.196 145 W CA 1.696 59.093 57.345 0.087 0.000 1.307 145 W CB -0.491 29.174 29.460 0.341 0.000 1.157 145 W HN 0.149 nan 8.180 nan 0.000 0.483 146 E N -1.176 118.877 120.200 -0.245 0.000 2.118 146 E HA -0.319 4.031 4.350 0.001 0.000 0.195 146 E C 2.128 178.438 176.600 -0.483 0.000 0.992 146 E CA 1.703 57.761 56.400 -0.570 0.000 0.804 146 E CB -0.630 29.072 29.700 0.003 0.000 0.741 146 E HN 0.446 nan 8.360 nan 0.000 0.458 147 Y N 0.747 120.652 120.300 -0.659 0.000 2.163 147 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 147 Y C 2.499 178.175 175.900 -0.374 0.000 1.136 147 Y CA 1.887 59.548 58.100 -0.731 0.000 1.147 147 Y CB -0.161 37.614 38.460 -1.141 0.000 0.987 147 Y HN -0.040 nan 8.280 nan 0.000 0.509 148 S N -0.851 114.696 115.700 -0.254 0.000 2.402 148 S HA -0.181 4.289 4.470 0.001 0.000 0.229 148 S C 1.956 176.392 174.600 -0.273 0.000 1.021 148 S CA 1.643 59.733 58.200 -0.183 0.000 0.974 148 S CB -0.764 62.383 63.200 -0.089 0.000 0.800 148 S HN 0.752 nan 8.310 nan 0.000 0.484 149 T N 0.000 114.306 114.554 -0.413 0.000 3.023 149 T HA 0.084 4.434 4.350 0.001 0.000 0.266 149 T C 1.296 175.757 174.700 -0.397 0.000 1.093 149 T CA 1.118 62.970 62.100 -0.414 0.000 1.129 149 T CB -0.350 68.128 68.868 -0.649 0.000 0.899 149 T HN 0.281 nan 8.240 nan 0.000 0.491 150 N N -0.062 118.346 118.700 -0.488 0.000 2.405 150 N HA 0.175 4.915 4.740 0.001 0.000 0.175 150 N C -0.339 174.594 175.510 -0.962 0.000 1.051 150 N CA 0.337 53.006 53.050 -0.634 0.000 0.899 150 N CB 0.174 38.298 38.487 -0.604 0.000 1.000 150 N HN 0.469 nan 8.380 nan 0.000 0.451 151 Y N -1.238 118.759 120.300 -0.506 0.000 2.578 151 Y HA 0.406 4.956 4.550 0.000 0.000 0.317 151 Y C 1.434 177.158 175.900 -0.292 0.000 0.940 151 Y CA -0.856 56.977 58.100 -0.444 0.000 1.174 151 Y CB 0.617 38.655 38.460 -0.703 0.000 1.198 151 Y HN -0.058 nan 8.280 nan 0.000 0.597 152 G N -0.333 108.370 108.800 -0.161 0.000 2.598 152 G HA2 -0.136 3.824 3.960 0.001 0.000 0.215 152 G HA3 -0.136 3.824 3.960 0.001 0.000 0.215 152 G C 1.418 176.312 174.900 -0.009 0.000 1.131 152 G CA 0.498 45.553 45.100 -0.077 0.000 0.785 152 G HN 0.242 nan 8.290 nan 0.000 0.539 153 Q N 0.184 119.966 119.800 -0.031 0.000 2.451 153 Q HA 0.243 4.583 4.340 0.001 0.000 0.206 153 Q C 1.330 177.306 176.000 -0.041 0.000 0.947 153 Q CA 0.226 56.013 55.803 -0.027 0.000 0.937 153 Q CB 0.126 28.829 28.738 -0.059 0.000 1.025 153 Q HN 0.439 nan 8.270 nan 0.000 0.511 154 A N 2.528 125.322 122.820 -0.042 0.000 2.371 154 A HA 0.387 4.707 4.320 0.001 0.000 0.257 154 A C -2.206 175.353 177.584 -0.041 0.000 1.089 154 A CA -1.195 50.810 52.037 -0.053 0.000 0.794 154 A CB -0.118 18.853 19.000 -0.048 0.000 1.029 154 A HN -0.042 nan 8.150 nan 0.000 0.488 155 P HA -0.033 nan 4.420 nan 0.000 0.266 155 P C 1.031 178.317 177.300 -0.023 0.000 1.193 155 P CA -0.197 62.879 63.100 -0.041 0.000 0.770 155 P CB 0.399 32.068 31.700 -0.051 0.000 0.836 156 L N 3.976 125.186 121.223 -0.022 0.000 2.012 156 L HA -0.233 4.107 4.340 0.001 0.000 0.210 156 L C 2.176 179.045 176.870 -0.001 0.000 1.073 156 L CA 2.663 57.493 54.840 -0.017 0.000 0.748 156 L CB -1.505 40.536 42.059 -0.030 0.000 0.891 156 L HN 0.454 nan 8.230 nan 0.000 0.431 157 S N -1.247 114.453 115.700 0.000 0.000 2.400 157 S HA -0.187 4.283 4.470 0.001 0.000 0.232 157 S C 1.999 176.613 174.600 0.022 0.000 1.025 157 S CA 1.341 59.549 58.200 0.012 0.000 0.993 157 S CB -0.819 62.386 63.200 0.010 0.000 0.808 157 S HN 0.364 nan 8.310 nan 0.000 0.478 158 L N 1.121 122.351 121.223 0.012 0.000 2.072 158 L HA 0.300 4.640 4.340 0.001 0.000 0.205 158 L C 2.400 179.312 176.870 0.070 0.000 1.079 158 L CA 1.251 56.104 54.840 0.021 0.000 0.752 158 L CB -0.935 41.110 42.059 -0.024 0.000 0.906 158 L HN 0.354 nan 8.230 nan 0.000 0.436 159 L N -2.085 119.179 121.223 0.068 0.000 2.056 159 L HA -0.193 4.148 4.340 0.001 0.000 0.207 159 L C 2.402 179.335 176.870 0.104 0.000 1.078 159 L CA 0.731 55.643 54.840 0.121 0.000 0.749 159 L CB -0.579 41.530 42.059 0.084 0.000 0.901 159 L HN 0.035 nan 8.230 nan 0.000 0.433 160 V N -1.067 118.883 119.914 0.060 0.000 2.343 160 V HA -0.298 3.822 4.120 0.001 0.000 0.247 160 V C 2.697 178.822 176.094 0.052 0.000 1.051 160 V CA 2.055 64.381 62.300 0.044 0.000 1.036 160 V CB -0.316 31.523 31.823 0.027 0.000 0.654 160 V HN 0.468 nan 8.190 nan 0.000 0.451 161 S N -1.272 114.466 115.700 0.065 0.000 2.368 161 S HA -0.235 4.236 4.470 0.001 0.000 0.224 161 S C 2.010 176.660 174.600 0.084 0.000 1.029 161 S CA 1.889 60.129 58.200 0.067 0.000 0.988 161 S CB -0.388 62.854 63.200 0.070 0.000 0.838 161 S HN 0.678 nan 8.310 nan 0.000 0.462 162 Y N 2.575 122.871 120.300 -0.007 0.000 2.153 162 Y HA -0.084 4.466 4.550 0.000 0.000 0.289 162 Y C 2.754 178.657 175.900 0.005 0.000 1.127 162 Y CA 2.423 60.507 58.100 -0.026 0.000 1.131 162 Y CB -1.240 37.163 38.460 -0.096 0.000 0.995 162 Y HN 0.447 nan 8.280 nan 0.000 0.505 163 T N -1.472 112.989 114.554 -0.155 0.000 2.849 163 T HA -0.231 4.119 4.350 0.001 0.000 0.270 163 T C 1.924 176.633 174.700 0.016 0.000 1.066 163 T CA 1.748 63.798 62.100 -0.083 0.000 1.130 163 T CB -0.448 68.407 68.868 -0.020 0.000 0.864 163 T HN 0.400 nan 8.240 nan 0.000 0.481 164 K N 0.913 121.307 120.400 -0.011 0.000 2.031 164 K HA -0.011 4.310 4.320 0.001 0.000 0.205 164 K C 2.577 179.154 176.600 -0.038 0.000 1.049 164 K CA 1.351 57.640 56.287 0.003 0.000 0.939 164 K CB -0.231 32.278 32.500 0.013 0.000 0.717 164 K HN 0.342 nan 8.250 nan 0.000 0.438 165 S N -0.017 115.643 115.700 -0.067 0.000 2.402 165 S HA -0.137 4.333 4.470 0.001 0.000 0.229 165 S C 1.556 176.071 174.600 -0.141 0.000 1.021 165 S CA 0.905 59.059 58.200 -0.078 0.000 0.974 165 S CB -0.381 62.800 63.200 -0.031 0.000 0.800 165 S HN 0.404 nan 8.310 nan 0.000 0.484 166 Y N 2.314 122.384 120.300 -0.384 0.000 2.163 166 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 166 Y C 1.833 177.537 175.900 -0.327 0.000 1.136 166 Y CA 1.234 59.067 58.100 -0.445 0.000 1.147 166 Y CB -0.389 37.605 38.460 -0.777 0.000 0.987 166 Y HN 0.122 nan 8.280 nan 0.000 0.509 167 L N -0.819 120.289 121.223 -0.193 0.000 2.131 167 L HA -0.204 4.136 4.340 0.001 0.000 0.210 167 L C 2.748 179.483 176.870 -0.226 0.000 1.092 167 L CA 1.576 56.304 54.840 -0.186 0.000 0.759 167 L CB -0.750 41.318 42.059 0.015 0.000 0.903 167 L HN 0.244 nan 8.230 nan 0.000 0.435 168 S N -0.282 115.315 115.700 -0.172 0.000 2.447 168 S HA -0.206 4.264 4.470 0.001 0.000 0.233 168 S C 1.962 176.424 174.600 -0.230 0.000 1.006 168 S CA 1.125 59.234 58.200 -0.152 0.000 0.957 168 S CB -0.100 63.041 63.200 -0.097 0.000 0.773 168 S HN 0.418 nan 8.310 nan 0.000 0.507 169 M N 0.459 119.873 119.600 -0.310 0.000 2.193 169 M HA 0.014 4.494 4.480 0.001 0.000 0.265 169 M C 1.782 177.801 176.300 -0.468 0.000 1.071 169 M CA 1.350 56.441 55.300 -0.349 0.000 1.140 169 M CB -0.195 32.213 32.600 -0.320 0.000 1.369 169 M HN 0.234 nan 8.290 nan 0.000 0.423 170 V N 0.844 120.424 119.914 -0.556 0.000 2.261 170 V HA -0.189 3.931 4.120 0.001 0.000 0.246 170 V C 2.674 178.282 176.094 -0.810 0.000 1.047 170 V CA 2.184 64.111 62.300 -0.621 0.000 1.015 170 V CB -1.802 29.629 31.823 -0.653 0.000 0.642 170 V HN 0.732 nan 8.190 nan 0.000 0.446 171 G N -1.345 106.964 108.800 -0.818 0.000 2.422 171 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 171 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 171 G C 1.927 176.676 174.900 -0.253 0.000 1.146 171 G CA 1.305 46.076 45.100 -0.550 0.000 0.769 171 G HN 0.486 nan 8.290 nan 0.000 0.547 172 S N -1.149 114.379 115.700 -0.287 0.000 2.395 172 S HA -0.078 4.392 4.470 0.001 0.000 0.225 172 S C 2.329 176.746 174.600 -0.304 0.000 1.027 172 S CA 1.218 59.279 58.200 -0.232 0.000 0.965 172 S CB -0.382 62.692 63.200 -0.211 0.000 0.812 172 S HN 0.430 nan 8.310 nan 0.000 0.482 173 c N 0.366 118.668 118.600 -0.497 0.000 2.512 173 c HA 0.203 4.773 4.570 0.001 0.000 0.276 173 c C 2.667 176.457 174.090 -0.501 0.000 1.368 173 c CA -0.240 55.684 56.329 -0.674 0.000 1.755 173 c CB -1.372 40.267 42.510 -1.452 0.000 2.008 173 c HN 0.690 nan 8.230 nan 0.000 0.511 174 c N 1.158 119.537 118.600 -0.368 0.000 2.456 174 c HA -0.018 4.552 4.570 0.001 0.000 0.279 174 c C 2.308 176.371 174.090 -0.045 0.000 1.427 174 c CA 1.645 57.896 56.329 -0.130 0.000 1.778 174 c CB -1.707 40.789 42.510 -0.023 0.000 1.842 174 c HN 0.808 nan 8.230 nan 0.000 0.531 175 T N -3.036 111.478 114.554 -0.067 0.000 3.215 175 T HA 0.177 4.527 4.350 0.001 0.000 0.271 175 T C 0.213 174.877 174.700 -0.060 0.000 1.012 175 T CA 0.011 62.094 62.100 -0.027 0.000 0.899 175 T CB 0.036 68.910 68.868 0.010 0.000 1.089 175 T HN 0.249 nan 8.240 nan 0.000 0.552 176 S N 0.166 115.806 115.700 -0.100 0.000 2.585 176 S HA 0.673 5.143 4.470 0.001 0.000 0.277 176 S C 1.692 176.252 174.600 -0.066 0.000 1.241 176 S CA -0.140 58.001 58.200 -0.098 0.000 1.041 176 S CB 1.001 64.111 63.200 -0.151 0.000 0.987 176 S HN 0.461 nan 8.310 nan 0.000 0.512 177 A N 3.117 125.906 122.820 -0.051 0.000 2.019 177 A HA 0.242 4.562 4.320 0.001 0.000 0.219 177 A C 1.446 179.011 177.584 -0.031 0.000 1.164 177 A CA 1.610 53.627 52.037 -0.034 0.000 0.644 177 A CB -0.914 18.069 19.000 -0.028 0.000 0.805 177 A HN 1.317 nan 8.150 nan 0.000 0.449 178 S N -0.517 115.158 115.700 -0.042 0.000 2.112 178 S HA 0.577 5.047 4.470 0.001 0.000 0.151 178 S C -1.299 173.275 174.600 -0.043 0.000 1.723 178 S CA -1.344 56.838 58.200 -0.030 0.000 1.263 178 S CB 0.426 nan 63.200 nan 0.000 1.194 178 S HN -0.010 nan 8.310 nan 0.000 0.419 179 P HA -0.178 nan 4.420 nan 0.000 0.214 179 P C 1.735 179.068 177.300 0.056 0.000 1.169 179 P CA 1.898 64.966 63.100 -0.054 0.000 0.908 179 P CB 0.123 31.842 31.700 0.031 0.000 0.791 180 T N -0.795 113.829 114.554 0.117 0.000 2.665 180 T HA -0.136 4.214 4.350 0.001 0.000 0.268 180 T C 1.827 176.591 174.700 0.107 0.000 1.035 180 T CA 1.481 63.671 62.100 0.150 0.000 1.151 180 T CB -1.110 67.808 68.868 0.085 0.000 0.862 180 T HN -0.108 nan 8.240 nan 0.000 0.438 181 V N 0.646 120.586 119.914 0.043 0.000 2.343 181 V HA -0.191 3.929 4.120 0.001 0.000 0.247 181 V C 2.812 178.907 176.094 0.001 0.000 1.051 181 V CA 1.571 63.884 62.300 0.021 0.000 1.036 181 V CB -0.729 31.093 31.823 -0.001 0.000 0.654 181 V HN 0.716 nan 8.190 nan 0.000 0.451 182 c N -0.412 118.154 118.600 -0.056 0.000 2.429 182 c HA -0.192 4.378 4.570 0.001 0.000 0.277 182 c C 2.542 176.560 174.090 -0.119 0.000 1.262 182 c CA 1.001 57.247 56.329 -0.137 0.000 1.733 182 c CB -1.277 41.073 42.510 -0.267 0.000 2.010 182 c HN 0.579 nan 8.230 nan 0.000 0.483 183 F N 0.159 120.075 119.950 -0.057 0.000 2.171 183 F HA -0.088 4.439 4.527 0.001 0.000 0.300 183 F C 2.163 177.945 175.800 -0.031 0.000 1.090 183 F CA 1.243 59.208 58.000 -0.059 0.000 1.293 183 F CB -0.337 38.630 39.000 -0.056 0.000 1.013 183 F HN 0.240 nan 8.300 nan 0.000 0.486 184 L N 0.706 122.030 121.223 0.167 0.000 2.027 184 L HA -0.181 4.159 4.340 0.001 0.000 0.206 184 L C 2.254 179.167 176.870 0.070 0.000 1.074 184 L CA 1.852 56.753 54.840 0.102 0.000 0.745 184 L CB -0.844 41.256 42.059 0.069 0.000 0.898 184 L HN -0.009 nan 8.230 nan 0.000 0.433 185 K N -0.822 119.602 120.400 0.040 0.000 2.002 185 K HA -0.179 4.141 4.320 0.001 0.000 0.209 185 K C 1.990 178.601 176.600 0.019 0.000 1.048 185 K CA 1.600 57.897 56.287 0.017 0.000 0.930 185 K CB -0.079 32.414 32.500 -0.011 0.000 0.714 185 K HN 0.314 nan 8.250 nan 0.000 0.438 186 E N 0.488 120.692 120.200 0.005 0.000 2.106 186 E HA -0.165 4.185 4.350 0.001 0.000 0.192 186 E C 2.135 178.769 176.600 0.056 0.000 0.984 186 E CA 1.082 57.482 56.400 -0.000 0.000 0.806 186 E CB -0.049 29.611 29.700 -0.066 0.000 0.750 186 E HN 0.324 nan 8.360 nan 0.000 0.458 187 R N 0.255 120.818 120.500 0.104 0.000 2.115 187 R HA 0.003 4.343 4.340 0.001 0.000 0.230 187 R C 2.513 178.876 176.300 0.105 0.000 1.111 187 R CA 0.616 56.792 56.100 0.126 0.000 0.976 187 R CB -0.162 30.221 30.300 0.139 0.000 0.870 187 R HN 0.149 nan 8.270 nan 0.000 0.445 188 L N 0.322 121.594 121.223 0.081 0.000 2.179 188 L HA -0.128 4.212 4.340 0.001 0.000 0.208 188 L C 2.144 179.057 176.870 0.072 0.000 1.096 188 L CA 1.158 56.041 54.840 0.072 0.000 0.779 188 L CB -0.200 41.892 42.059 0.055 0.000 0.922 188 L HN 0.238 nan 8.230 nan 0.000 0.443 189 Q N -0.556 119.281 119.800 0.061 0.000 2.311 189 Q HA -0.136 4.205 4.340 0.001 0.000 0.203 189 Q C 1.976 178.027 176.000 0.084 0.000 0.954 189 Q CA 0.769 56.605 55.803 0.055 0.000 0.885 189 Q CB 0.124 28.879 28.738 0.029 0.000 0.963 189 Q HN 0.326 nan 8.270 nan 0.000 0.471 190 L N 0.874 122.158 121.223 0.101 0.000 2.446 190 L HA 0.007 4.347 4.340 0.001 0.000 0.219 190 L C 2.048 179.018 176.870 0.167 0.000 1.116 190 L CA 1.184 56.109 54.840 0.141 0.000 0.844 190 L CB -0.198 41.954 42.059 0.155 0.000 0.970 190 L HN -0.030 nan 8.230 nan 0.000 0.457 191 K N -0.855 119.630 120.400 0.141 0.000 2.052 191 K HA -0.366 3.954 4.320 0.001 0.000 0.215 191 K C 2.165 178.833 176.600 0.113 0.000 1.053 191 K CA 2.233 58.593 56.287 0.122 0.000 0.934 191 K CB -0.353 32.214 32.500 0.110 0.000 0.717 191 K HN 0.543 nan 8.250 nan 0.000 0.450 192 H N 0.248 119.346 119.070 0.048 0.000 2.252 192 H HA -0.199 4.358 4.556 0.001 0.000 0.292 192 H C 1.924 177.263 175.328 0.017 0.000 1.082 192 H CA 2.342 58.406 56.048 0.027 0.000 1.229 192 H CB -0.526 29.251 29.762 0.025 0.000 1.353 192 H HN 0.249 nan 8.280 nan 0.000 0.488 193 L N -0.218 121.018 121.223 0.022 0.000 2.046 193 L HA -0.136 4.204 4.340 0.001 0.000 0.208 193 L C 2.656 179.488 176.870 -0.063 0.000 1.077 193 L CA 2.193 57.023 54.840 -0.016 0.000 0.747 193 L CB -1.422 40.731 42.059 0.156 0.000 0.896 193 L HN 0.408 nan 8.230 nan 0.000 0.432 194 S N -1.095 114.613 115.700 0.013 0.000 2.359 194 S HA -0.166 4.304 4.470 0.001 0.000 0.224 194 S C 1.991 176.446 174.600 -0.241 0.000 1.035 194 S CA 1.528 59.630 58.200 -0.164 0.000 1.018 194 S CB -0.348 62.892 63.200 0.067 0.000 0.876 194 S HN 0.367 nan 8.310 nan 0.000 0.448 195 L N 1.130 122.266 121.223 -0.146 0.000 2.005 195 L HA 0.079 4.419 4.340 0.001 0.000 0.207 195 L C 2.322 179.058 176.870 -0.225 0.000 1.072 195 L CA 1.419 56.173 54.840 -0.143 0.000 0.744 195 L CB -1.325 40.685 42.059 -0.081 0.000 0.895 195 L HN 0.366 nan 8.230 nan 0.000 0.433 196 L N -0.989 120.060 121.223 -0.291 0.000 2.043 196 L HA -0.241 4.099 4.340 0.001 0.000 0.212 196 L C 2.351 179.060 176.870 -0.268 0.000 1.075 196 L CA 2.155 56.801 54.840 -0.324 0.000 0.752 196 L CB -0.935 40.900 42.059 -0.372 0.000 0.891 196 L HN 0.310 nan 8.230 nan 0.000 0.432 197 T N -1.871 112.525 114.554 -0.263 0.000 2.770 197 T HA -0.125 4.226 4.350 0.001 0.000 0.263 197 T C 1.698 176.252 174.700 -0.243 0.000 1.039 197 T CA 1.824 63.774 62.100 -0.249 0.000 1.142 197 T CB -0.395 68.258 68.868 -0.357 0.000 0.868 197 T HN 0.378 nan 8.240 nan 0.000 0.435 198 T N 2.125 116.500 114.554 -0.298 0.000 2.857 198 T HA 0.059 4.409 4.350 0.001 0.000 0.266 198 T C 1.787 176.391 174.700 -0.160 0.000 1.048 198 T CA 0.582 62.533 62.100 -0.248 0.000 1.139 198 T CB -0.245 68.457 68.868 -0.276 0.000 0.874 198 T HN 0.036 nan 8.240 nan 0.000 0.455 199 L N 1.786 122.885 121.223 -0.206 0.000 2.109 199 L HA 0.028 4.368 4.340 0.001 0.000 0.207 199 L C 2.796 179.519 176.870 -0.244 0.000 1.086 199 L CA 1.421 56.112 54.840 -0.248 0.000 0.760 199 L CB -1.126 40.807 42.059 -0.210 0.000 0.910 199 L HN 0.350 nan 8.230 nan 0.000 0.437 200 S N -0.700 114.858 115.700 -0.236 0.000 2.383 200 S HA -0.217 4.253 4.470 0.001 0.000 0.227 200 S C 1.902 176.416 174.600 -0.144 0.000 1.026 200 S CA 1.294 59.369 58.200 -0.208 0.000 0.981 200 S CB -0.842 62.238 63.200 -0.200 0.000 0.818 200 S HN 0.505 nan 8.310 nan 0.000 0.472 201 N N 1.950 120.583 118.700 -0.112 0.000 2.084 201 N HA -0.169 4.572 4.740 0.001 0.000 0.190 201 N C 1.945 177.405 175.510 -0.083 0.000 1.030 201 N CA 1.531 54.539 53.050 -0.070 0.000 0.849 201 N CB -0.364 38.126 38.487 0.005 0.000 1.012 201 N HN 0.358 nan 8.380 nan 0.000 0.423 202 R N 0.564 121.003 120.500 -0.100 0.000 2.070 202 R HA -0.055 4.285 4.340 0.001 0.000 0.233 202 R C 2.184 178.430 176.300 -0.090 0.000 1.137 202 R CA 1.918 57.952 56.100 -0.111 0.000 0.945 202 R CB -1.148 29.054 30.300 -0.163 0.000 0.845 202 R HN 0.325 nan 8.270 nan 0.000 0.430 203 V N -1.863 117.984 119.914 -0.111 0.000 2.407 203 V HA -0.216 3.904 4.120 0.001 0.000 0.248 203 V C 2.311 178.414 176.094 0.015 0.000 1.055 203 V CA 1.850 64.141 62.300 -0.016 0.000 1.049 203 V CB -1.258 30.567 31.823 0.002 0.000 0.662 203 V HN 0.349 nan 8.190 nan 0.000 0.455 204 c N 0.628 119.209 118.600 -0.032 0.000 2.435 204 c HA -0.024 4.547 4.570 0.001 0.000 0.279 204 c C 3.200 177.305 174.090 0.025 0.000 1.321 204 c CA 1.384 57.715 56.329 0.002 0.000 1.752 204 c CB -1.247 41.232 42.510 -0.052 0.000 1.959 204 c HN 0.682 nan 8.230 nan 0.000 0.500 205 S N 0.352 116.028 115.700 -0.040 0.000 2.406 205 S HA -0.170 4.300 4.470 0.001 0.000 0.228 205 S C 1.860 176.399 174.600 -0.102 0.000 1.020 205 S CA 1.222 59.371 58.200 -0.086 0.000 0.965 205 S CB -0.244 62.880 63.200 -0.127 0.000 0.798 205 S HN 0.694 nan 8.310 nan 0.000 0.488 206 Q N -0.544 119.216 119.800 -0.067 0.000 2.083 206 Q HA -0.086 4.254 4.340 0.001 0.000 0.198 206 Q C 1.875 177.835 176.000 -0.067 0.000 0.969 206 Q CA 1.412 57.139 55.803 -0.126 0.000 0.838 206 Q CB -0.291 28.439 28.738 -0.013 0.000 0.900 206 Q HN 0.657 nan 8.270 nan 0.000 0.436 207 Y N 0.904 121.181 120.300 -0.039 0.000 2.128 207 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 207 Y C 2.177 178.064 175.900 -0.021 0.000 1.154 207 Y CA 1.521 59.627 58.100 0.011 0.000 1.149 207 Y CB -0.419 38.037 38.460 -0.007 0.000 0.976 207 Y HN 0.093 nan 8.280 nan 0.000 0.505 208 A N 0.368 123.176 122.820 -0.020 0.000 1.933 208 A HA -0.126 4.194 4.320 0.001 0.000 0.218 208 A C 2.388 179.863 177.584 -0.183 0.000 1.175 208 A CA 1.912 53.879 52.037 -0.116 0.000 0.628 208 A CB -1.451 17.496 19.000 -0.087 0.000 0.814 208 A HN 0.619 nan 8.150 nan 0.000 0.444 209 A N -1.796 120.904 122.820 -0.200 0.000 1.929 209 A HA -0.012 4.308 4.320 0.001 0.000 0.216 209 A C 2.111 179.598 177.584 -0.161 0.000 1.176 209 A CA 1.336 53.239 52.037 -0.224 0.000 0.628 209 A CB -0.606 18.193 19.000 -0.335 0.000 0.816 209 A HN 0.662 nan 8.150 nan 0.000 0.444 210 Y N -0.887 119.314 120.300 -0.166 0.000 2.301 210 Y HA 0.330 4.881 4.550 0.001 0.000 0.295 210 Y C 1.553 177.314 175.900 -0.231 0.000 1.119 210 Y CA 0.197 58.196 58.100 -0.168 0.000 1.162 210 Y CB 0.113 38.494 38.460 -0.131 0.000 1.046 210 Y HN 0.538 nan 8.280 nan 0.000 0.538 211 G N 0.613 109.271 108.800 -0.237 0.000 2.663 211 G HA2 -0.247 3.713 3.960 0.001 0.000 0.686 211 G HA3 -0.247 3.713 3.960 0.001 0.000 0.686 211 G C 0.045 174.718 174.900 -0.378 0.000 1.246 211 G CA -0.025 44.872 45.100 -0.338 0.000 0.795 211 G HN 0.328 nan 8.290 nan 0.000 0.627 212 E N 0.651 120.664 120.200 -0.311 0.000 2.070 212 E HA -0.235 4.115 4.350 0.001 0.000 0.197 212 E C 2.904 179.501 176.600 -0.005 0.000 1.004 212 E CA 3.166 59.544 56.400 -0.038 0.000 0.805 212 E CB -0.238 29.530 29.700 0.114 0.000 0.744 212 E HN 1.023 nan 8.360 nan 0.000 0.451 213 K N 1.503 121.880 120.400 -0.037 0.000 1.991 213 K HA -0.180 4.141 4.320 0.001 0.000 0.212 213 K C 2.041 178.599 176.600 -0.072 0.000 1.049 213 K CA 1.827 58.092 56.287 -0.036 0.000 0.932 213 K CB -0.806 31.670 32.500 -0.040 0.000 0.717 213 K HN 0.067 nan 8.250 nan 0.000 0.441 214 K N 0.395 120.723 120.400 -0.121 0.000 2.057 214 K HA -0.115 4.205 4.320 0.001 0.000 0.207 214 K C 2.607 179.045 176.600 -0.270 0.000 1.049 214 K CA 1.443 57.578 56.287 -0.254 0.000 0.931 214 K CB -0.390 31.901 32.500 -0.349 0.000 0.714 214 K HN 0.460 nan 8.250 nan 0.000 0.440 215 S N 1.042 116.690 115.700 -0.088 0.000 2.365 215 S HA -0.197 4.274 4.470 0.001 0.000 0.225 215 S C 2.089 176.730 174.600 0.069 0.000 1.039 215 S CA 1.152 59.402 58.200 0.084 0.000 1.033 215 S CB -0.069 63.241 63.200 0.183 0.000 0.887 215 S HN 0.215 nan 8.310 nan 0.000 0.447 216 R N 0.161 120.691 120.500 0.051 0.000 2.097 216 R HA -0.109 4.231 4.340 0.001 0.000 0.236 216 R C 2.394 178.707 176.300 0.021 0.000 1.135 216 R CA 1.825 57.955 56.100 0.050 0.000 0.934 216 R CB -1.157 29.166 30.300 0.038 0.000 0.846 216 R HN 0.506 nan 8.270 nan 0.000 0.431 217 L N 0.756 121.963 121.223 -0.026 0.000 2.012 217 L HA -0.191 4.149 4.340 0.001 0.000 0.210 217 L C 2.497 179.344 176.870 -0.038 0.000 1.073 217 L CA 2.271 57.088 54.840 -0.038 0.000 0.748 217 L CB -0.975 41.032 42.059 -0.087 0.000 0.891 217 L HN 0.127 nan 8.230 nan 0.000 0.431 218 S N -0.443 115.201 115.700 -0.093 0.000 2.365 218 S HA -0.235 4.236 4.470 0.001 0.000 0.225 218 S C 1.887 176.524 174.600 0.062 0.000 1.039 218 S CA 1.800 59.975 58.200 -0.041 0.000 1.033 218 S CB -0.474 62.703 63.200 -0.038 0.000 0.887 218 S HN 0.661 nan 8.310 nan 0.000 0.447 219 N N 1.077 119.829 118.700 0.086 0.000 2.309 219 N HA -0.053 4.688 4.740 0.001 0.000 0.182 219 N C 1.619 177.190 175.510 0.102 0.000 1.018 219 N CA 0.943 54.060 53.050 0.111 0.000 0.876 219 N CB -0.522 38.038 38.487 0.122 0.000 0.972 219 N HN 0.381 nan 8.380 nan 0.000 0.434 220 L N 1.392 122.665 121.223 0.084 0.000 2.072 220 L HA 0.083 4.423 4.340 0.001 0.000 0.205 220 L C 1.973 178.912 176.870 0.115 0.000 1.079 220 L CA 1.097 55.996 54.840 0.100 0.000 0.752 220 L CB -0.580 41.530 42.059 0.085 0.000 0.906 220 L HN 0.009 nan 8.230 nan 0.000 0.436 221 I N -0.374 120.241 120.570 0.076 0.000 2.127 221 I HA -0.344 3.826 4.170 0.001 0.000 0.241 221 I C 2.451 178.607 176.117 0.064 0.000 1.075 221 I CA 1.554 62.887 61.300 0.055 0.000 1.334 221 I CB -0.425 37.594 38.000 0.033 0.000 1.040 221 I HN 0.255 nan 8.210 nan 0.000 0.405 222 K N 0.621 121.066 120.400 0.075 0.000 2.057 222 K HA -0.152 4.168 4.320 0.001 0.000 0.207 222 K C 2.147 178.800 176.600 0.089 0.000 1.049 222 K CA 1.284 57.615 56.287 0.073 0.000 0.931 222 K CB -0.218 32.326 32.500 0.074 0.000 0.714 222 K HN 0.299 nan 8.250 nan 0.000 0.440 223 L N 0.363 121.653 121.223 0.112 0.000 2.141 223 L HA -0.157 4.184 4.340 0.001 0.000 0.209 223 L C 2.449 179.395 176.870 0.126 0.000 1.094 223 L CA 0.768 55.685 54.840 0.128 0.000 0.763 223 L CB -0.353 41.780 42.059 0.124 0.000 0.908 223 L HN 0.218 nan 8.230 nan 0.000 0.437 224 A N -0.794 122.108 122.820 0.135 0.000 1.930 224 A HA -0.208 4.112 4.320 0.001 0.000 0.217 224 A C 2.139 179.727 177.584 0.006 0.000 1.175 224 A CA 1.182 53.276 52.037 0.096 0.000 0.627 224 A CB -0.281 18.735 19.000 0.026 0.000 0.815 224 A HN 0.473 nan 8.150 nan 0.000 0.443 225 Q N -0.505 119.310 119.800 0.026 0.000 2.245 225 Q HA -0.075 4.266 4.340 0.001 0.000 0.201 225 Q C 1.790 177.823 176.000 0.054 0.000 0.955 225 Q CA 1.215 57.032 55.803 0.023 0.000 0.870 225 Q CB -0.066 28.691 28.738 0.031 0.000 0.945 225 Q HN 0.651 nan 8.270 nan 0.000 0.461 226 K N 0.136 120.593 120.400 0.094 0.000 2.116 226 K HA 0.007 4.328 4.320 0.001 0.000 0.203 226 K C 0.562 177.262 176.600 0.167 0.000 1.052 226 K CA 0.749 57.133 56.287 0.161 0.000 0.952 226 K CB 0.645 33.311 32.500 0.276 0.000 0.729 226 K HN -0.054 nan 8.250 nan 0.000 0.446 227 V N 1.504 121.473 119.914 0.091 0.000 2.361 227 V HA 0.161 4.281 4.120 0.001 0.000 0.252 227 V C -2.383 173.725 176.094 0.023 0.000 0.986 227 V CA -1.240 61.075 62.300 0.025 0.000 1.033 227 V CB 0.766 32.517 31.823 -0.121 0.000 1.282 227 V HN -0.038 nan 8.190 nan 0.000 0.514 228 P HA -0.131 nan 4.420 nan 0.000 0.218 228 P C 1.495 178.775 177.300 -0.034 0.000 1.148 228 P CA 1.596 64.664 63.100 -0.054 0.000 0.822 228 P CB 0.041 31.711 31.700 -0.050 0.000 0.784 229 T N -3.698 110.858 114.554 0.003 0.000 3.393 229 T HA 0.571 4.922 4.350 0.001 0.000 0.248 229 T C 0.448 175.176 174.700 0.046 0.000 0.992 229 T CA -0.489 61.622 62.100 0.018 0.000 0.929 229 T CB -0.827 68.048 68.868 0.011 0.000 1.065 229 T HN -0.018 nan 8.240 nan 0.000 0.597 230 A N 0.629 123.510 122.820 0.101 0.000 2.313 230 A HA 0.711 5.031 4.320 0.001 0.000 0.323 230 A C -0.635 177.099 177.584 0.250 0.000 1.133 230 A CA -0.951 51.155 52.037 0.116 0.000 0.847 230 A CB 1.009 20.048 19.000 0.065 0.000 1.308 230 A HN 0.437 nan 8.150 nan 0.000 0.475 231 D N 0.494 120.947 120.400 0.087 0.000 2.163 231 D HA 0.277 4.918 4.640 0.001 0.000 0.248 231 D C 1.230 177.316 176.300 -0.357 0.000 1.035 231 D CA -0.472 53.523 54.000 -0.007 0.000 0.872 231 D CB 1.849 42.628 40.800 -0.035 0.000 1.183 231 D HN 0.349 nan 8.370 nan 0.000 0.445 232 L N 2.896 123.622 121.223 -0.827 0.000 2.085 232 L HA -0.304 4.036 4.340 0.001 0.000 0.218 232 L C 1.591 178.152 176.870 -0.515 0.000 1.080 232 L CA 2.146 56.291 54.840 -1.159 0.000 0.776 232 L CB -0.473 41.125 42.059 -0.768 0.000 0.891 232 L HN 0.380 nan 8.230 nan 0.000 0.437 233 E N -0.712 119.310 120.200 -0.296 0.000 2.268 233 E HA -0.164 4.186 4.350 0.001 0.000 0.195 233 E C 1.787 178.300 176.600 -0.145 0.000 0.995 233 E CA 1.165 57.461 56.400 -0.173 0.000 0.836 233 E CB -0.372 29.261 29.700 -0.111 0.000 0.763 233 E HN 0.589 nan 8.360 nan 0.000 0.491 234 D N -0.087 120.217 120.400 -0.160 0.000 2.137 234 D HA -0.092 4.548 4.640 0.001 0.000 0.202 234 D C 2.071 178.301 176.300 -0.116 0.000 0.970 234 D CA 1.632 55.561 54.000 -0.119 0.000 0.837 234 D CB 0.115 40.854 40.800 -0.102 0.000 0.981 234 D HN 0.312 nan 8.370 nan 0.000 0.475 235 V N -1.073 118.756 119.914 -0.141 0.000 2.672 235 V HA 0.050 4.170 4.120 0.001 0.000 0.242 235 V C 2.352 178.410 176.094 -0.060 0.000 1.059 235 V CA 0.120 62.373 62.300 -0.080 0.000 1.081 235 V CB -0.713 31.104 31.823 -0.010 0.000 0.752 235 V HN -0.022 nan 8.190 nan 0.000 0.472 236 L N 1.721 122.868 121.223 -0.127 0.000 2.051 236 L HA -0.051 4.289 4.340 0.001 0.000 0.214 236 L C -0.061 176.794 176.870 -0.026 0.000 1.076 236 L CA 2.827 57.620 54.840 -0.079 0.000 0.758 236 L CB -1.665 40.319 42.059 -0.125 0.000 0.890 236 L HN 0.290 nan 8.230 nan 0.000 0.433 237 P HA -0.115 nan 4.420 nan 0.000 0.219 237 P C 2.005 179.331 177.300 0.043 0.000 1.150 237 P CA 1.301 64.401 63.100 -0.000 0.000 0.814 237 P CB 0.039 31.729 31.700 -0.017 0.000 0.787 238 L N -1.050 120.204 121.223 0.051 0.000 2.044 238 L HA -0.072 4.268 4.340 0.001 0.000 0.205 238 L C 2.495 179.491 176.870 0.210 0.000 1.075 238 L CA 1.433 56.356 54.840 0.138 0.000 0.747 238 L CB -1.282 40.824 42.059 0.078 0.000 0.903 238 L HN -0.077 nan 8.230 nan 0.000 0.435 239 A N -0.230 122.667 122.820 0.128 0.000 1.933 239 A HA -0.259 4.062 4.320 0.001 0.000 0.218 239 A C 2.234 179.872 177.584 0.090 0.000 1.175 239 A CA 1.916 54.022 52.037 0.116 0.000 0.628 239 A CB -0.458 18.593 19.000 0.085 0.000 0.814 239 A HN 0.463 nan 8.150 nan 0.000 0.444 240 E N -0.750 119.493 120.200 0.071 0.000 2.158 240 E HA -0.171 4.179 4.350 0.001 0.000 0.191 240 E C 1.561 178.192 176.600 0.052 0.000 0.982 240 E CA 0.906 57.338 56.400 0.052 0.000 0.823 240 E CB -0.047 29.674 29.700 0.035 0.000 0.766 240 E HN 0.617 nan 8.360 nan 0.000 0.468 241 D N 0.223 120.673 120.400 0.084 0.000 2.084 241 D HA -0.169 4.471 4.640 0.001 0.000 0.196 241 D C 1.892 178.192 176.300 0.000 0.000 0.985 241 D CA 0.882 54.938 54.000 0.093 0.000 0.826 241 D CB -0.065 40.865 40.800 0.217 0.000 0.978 241 D HN 0.192 nan 8.370 nan 0.000 0.456 242 I N 0.241 120.761 120.570 -0.083 0.000 2.226 242 I HA -0.207 3.964 4.170 0.001 0.000 0.245 242 I C 2.007 178.049 176.117 -0.124 0.000 1.100 242 I CA 1.541 62.669 61.300 -0.287 0.000 1.374 242 I CB -0.707 37.096 38.000 -0.329 0.000 1.057 242 I HN -0.001 nan 8.210 nan 0.000 0.413 243 T N 0.674 115.215 114.554 -0.023 0.000 2.759 243 T HA -0.181 4.170 4.350 0.001 0.000 0.269 243 T C 1.693 176.367 174.700 -0.044 0.000 1.042 243 T CA 2.123 64.238 62.100 0.026 0.000 1.140 243 T CB -0.696 68.229 68.868 0.094 0.000 0.864 243 T HN 0.526 nan 8.240 nan 0.000 0.455 244 N N 0.539 119.215 118.700 -0.039 0.000 2.188 244 N HA 0.069 4.810 4.740 0.001 0.000 0.184 244 N C 1.790 177.234 175.510 -0.109 0.000 1.018 244 N CA 0.763 53.782 53.050 -0.052 0.000 0.858 244 N CB -0.191 38.285 38.487 -0.020 0.000 0.989 244 N HN 0.308 nan 8.380 nan 0.000 0.426 245 I N 0.894 121.386 120.570 -0.130 0.000 2.394 245 I HA -0.209 3.961 4.170 0.001 0.000 0.251 245 I C 1.871 177.845 176.117 -0.237 0.000 1.136 245 I CA 0.813 62.018 61.300 -0.157 0.000 1.425 245 I CB -0.090 37.813 38.000 -0.161 0.000 1.079 245 I HN 0.161 nan 8.210 nan 0.000 0.425 246 L N 0.253 121.282 121.223 -0.323 0.000 2.005 246 L HA -0.188 4.152 4.340 0.001 0.000 0.207 246 L C 2.817 179.205 176.870 -0.803 0.000 1.072 246 L CA 1.778 56.284 54.840 -0.556 0.000 0.744 246 L CB -0.692 40.980 42.059 -0.645 0.000 0.895 246 L HN 0.325 nan 8.230 nan 0.000 0.433 247 S N -0.579 114.665 115.700 -0.761 0.000 2.419 247 S HA -0.227 4.243 4.470 0.001 0.000 0.233 247 S C 1.925 176.398 174.600 -0.212 0.000 1.016 247 S CA 1.249 59.179 58.200 -0.451 0.000 0.974 247 S CB -0.218 62.945 63.200 -0.061 0.000 0.786 247 S HN 0.387 nan 8.310 nan 0.000 0.492 248 K N 0.284 120.568 120.400 -0.193 0.000 2.078 248 K HA 0.091 4.412 4.320 0.001 0.000 0.203 248 K C 1.734 178.262 176.600 -0.119 0.000 1.043 248 K CA 1.272 57.488 56.287 -0.119 0.000 0.960 248 K CB -0.288 32.156 32.500 -0.093 0.000 0.761 248 K HN 0.470 nan 8.250 nan 0.000 0.448 249 c N 0.381 118.891 118.600 -0.151 0.000 2.512 249 c HA 0.111 4.682 4.570 0.001 0.000 0.276 249 c C 2.705 176.717 174.090 -0.130 0.000 1.368 249 c CA -0.423 55.828 56.329 -0.129 0.000 1.755 249 c CB -0.806 41.624 42.510 -0.133 0.000 2.008 249 c HN 0.636 nan 8.230 nan 0.000 0.511 250 c N 0.708 119.204 118.600 -0.172 0.000 2.413 250 c HA -0.080 4.490 4.570 0.001 0.000 0.276 250 c C 1.441 175.484 174.090 -0.078 0.000 1.248 250 c CA 1.248 57.496 56.329 -0.134 0.000 1.742 250 c CB -0.932 41.483 42.510 -0.158 0.000 2.017 250 c HN 0.574 nan 8.230 nan 0.000 0.481 251 E N 0.678 120.838 120.200 -0.067 0.000 3.659 251 E HA 0.228 4.578 4.350 0.001 0.000 0.217 251 E C -0.530 176.050 176.600 -0.033 0.000 1.141 251 E CA 0.189 56.568 56.400 -0.037 0.000 1.340 251 E CB 0.808 30.497 29.700 -0.018 0.000 1.295 251 E HN 0.377 nan 8.360 nan 0.000 0.434 252 S N -0.247 115.430 115.700 -0.038 0.000 2.561 252 S HA 0.537 5.007 4.470 0.001 0.000 0.303 252 S C 0.809 175.400 174.600 -0.015 0.000 1.110 252 S CA -0.199 57.985 58.200 -0.027 0.000 1.034 252 S CB 1.401 64.578 63.200 -0.039 0.000 1.010 252 S HN 0.251 nan 8.310 nan 0.000 0.482 253 A N 3.523 126.345 122.820 0.004 0.000 2.172 253 A HA 0.160 4.480 4.320 0.001 0.000 0.216 253 A C 1.321 178.912 177.584 0.011 0.000 1.154 253 A CA 0.626 52.673 52.037 0.016 0.000 0.701 253 A CB -0.487 18.541 19.000 0.047 0.000 0.789 253 A HN 0.835 nan 8.150 nan 0.000 0.465 254 S N 0.929 116.630 115.700 0.002 0.000 2.465 254 S HA 0.376 4.846 4.470 0.001 0.000 0.307 254 S C 0.829 175.426 174.600 -0.006 0.000 1.187 254 S CA 0.526 58.725 58.200 -0.001 0.000 1.141 254 S CB -0.076 63.118 63.200 -0.009 0.000 1.108 254 S HN 0.663 nan 8.310 nan 0.000 0.525 255 E N 3.671 123.872 120.200 0.002 0.000 2.651 255 E HA 0.071 4.421 4.350 0.001 0.000 0.236 255 E C 0.302 176.903 176.600 0.001 0.000 1.422 255 E CA 0.299 56.701 56.400 0.003 0.000 1.534 255 E CB -0.538 29.171 29.700 0.014 0.000 1.381 255 E HN 0.853 nan 8.360 nan 0.000 0.435 256 D N -2.174 118.221 120.400 -0.008 0.000 2.059 256 D HA -0.009 4.632 4.640 0.001 0.000 0.398 256 D C 1.676 177.963 176.300 -0.021 0.000 1.003 256 D CA 0.388 54.383 54.000 -0.008 0.000 0.916 256 D CB -0.649 40.149 40.800 -0.003 0.000 1.647 256 D HN 0.465 nan 8.370 nan 0.000 0.529 257 c N 1.451 120.033 118.600 -0.029 0.000 2.383 257 c HA -0.266 4.305 4.570 0.001 0.000 0.280 257 c C 2.688 176.741 174.090 -0.061 0.000 1.172 257 c CA 1.925 58.227 56.329 -0.044 0.000 1.785 257 c CB -0.905 41.574 42.510 -0.051 0.000 1.959 257 c HN 0.290 nan 8.230 nan 0.000 0.424 258 M N 1.555 121.108 119.600 -0.079 0.000 2.065 258 M HA -0.039 4.441 4.480 0.001 0.000 0.259 258 M C 2.254 178.491 176.300 -0.105 0.000 1.069 258 M CA 2.723 57.956 55.300 -0.112 0.000 1.110 258 M CB -1.118 31.406 32.600 -0.128 0.000 1.328 258 M HN 0.497 nan 8.290 nan 0.000 0.405 259 A N -0.271 122.504 122.820 -0.075 0.000 1.958 259 A HA -0.226 4.094 4.320 0.001 0.000 0.221 259 A C 2.207 179.779 177.584 -0.020 0.000 1.178 259 A CA 2.033 54.041 52.037 -0.048 0.000 0.642 259 A CB -0.656 18.339 19.000 -0.008 0.000 0.816 259 A HN 0.498 nan 8.150 nan 0.000 0.453 260 K N -0.858 119.529 120.400 -0.021 0.000 2.078 260 K HA 0.005 4.326 4.320 0.001 0.000 0.203 260 K C 1.974 178.566 176.600 -0.013 0.000 1.043 260 K CA 0.925 57.208 56.287 -0.006 0.000 0.960 260 K CB -0.362 32.135 32.500 -0.005 0.000 0.761 260 K HN 0.482 nan 8.250 nan 0.000 0.448 261 E N 1.513 121.694 120.200 -0.032 0.000 2.058 261 E HA -0.172 4.178 4.350 0.001 0.000 0.194 261 E C 2.029 178.614 176.600 -0.025 0.000 0.997 261 E CA 0.595 56.978 56.400 -0.029 0.000 0.801 261 E CB -0.352 29.315 29.700 -0.055 0.000 0.746 261 E HN 0.087 nan 8.360 nan 0.000 0.450 262 L N 0.917 122.083 121.223 -0.094 0.000 2.012 262 L HA -0.140 4.200 4.340 0.001 0.000 0.210 262 L C -0.613 176.222 176.870 -0.059 0.000 1.073 262 L CA 2.067 56.813 54.840 -0.157 0.000 0.748 262 L CB -1.961 39.892 42.059 -0.345 0.000 0.891 262 L HN 0.049 nan 8.230 nan 0.000 0.431 263 P HA -0.156 nan 4.420 nan 0.000 0.219 263 P C 1.425 178.764 177.300 0.066 0.000 1.150 263 P CA 1.105 64.226 63.100 0.034 0.000 0.814 263 P CB 0.086 31.821 31.700 0.058 0.000 0.787 264 E N -1.278 118.958 120.200 0.059 0.000 2.208 264 E HA -0.234 4.116 4.350 0.001 0.000 0.193 264 E C 1.913 178.571 176.600 0.096 0.000 0.988 264 E CA 0.619 57.057 56.400 0.063 0.000 0.828 264 E CB -0.280 29.448 29.700 0.047 0.000 0.763 264 E HN 0.267 nan 8.360 nan 0.000 0.478 265 H N -0.415 118.677 119.070 0.038 0.000 2.395 265 H HA 0.007 4.564 4.556 0.000 0.000 0.299 265 H C 1.795 177.197 175.328 0.123 0.000 1.070 265 H CA 2.123 58.215 56.048 0.074 0.000 1.356 265 H CB -0.167 29.646 29.762 0.084 0.000 1.401 265 H HN 0.038 nan 8.280 nan 0.000 0.524 266 T N -0.210 114.412 114.554 0.112 0.000 2.833 266 T HA -0.106 4.244 4.350 0.001 0.000 0.269 266 T C 2.149 176.871 174.700 0.036 0.000 1.054 266 T CA 1.212 63.375 62.100 0.104 0.000 1.135 266 T CB -0.342 68.649 68.868 0.204 0.000 0.869 266 T HN 0.150 nan 8.240 nan 0.000 0.466 267 V N 1.370 121.302 119.914 0.031 0.000 2.358 267 V HA -0.137 3.983 4.120 0.001 0.000 0.246 267 V C 2.431 178.522 176.094 -0.006 0.000 1.047 267 V CA 1.481 63.795 62.300 0.022 0.000 1.035 267 V CB -0.406 31.433 31.823 0.026 0.000 0.658 267 V HN 0.466 nan 8.190 nan 0.000 0.452 268 K N -0.451 119.925 120.400 -0.040 0.000 2.057 268 K HA -0.148 4.173 4.320 0.001 0.000 0.206 268 K C 2.123 178.671 176.600 -0.087 0.000 1.050 268 K CA 1.135 57.386 56.287 -0.060 0.000 0.935 268 K CB -0.387 32.073 32.500 -0.066 0.000 0.715 268 K HN 0.197 nan 8.250 nan 0.000 0.439 269 L N 1.306 122.438 121.223 -0.151 0.000 2.013 269 L HA -0.271 4.069 4.340 0.001 0.000 0.212 269 L C 2.311 179.196 176.870 0.024 0.000 1.073 269 L CA 1.764 56.551 54.840 -0.088 0.000 0.753 269 L CB -0.569 41.457 42.059 -0.056 0.000 0.890 269 L HN 0.249 nan 8.230 nan 0.000 0.432 270 c N -0.958 117.676 118.600 0.057 0.000 2.457 270 c HA -0.089 4.481 4.570 0.001 0.000 0.278 270 c C 2.342 176.455 174.090 0.037 0.000 1.309 270 c CA 0.377 56.758 56.329 0.087 0.000 1.735 270 c CB -0.921 41.639 42.510 0.084 0.000 1.992 270 c HN 0.554 nan 8.230 nan 0.000 0.493 271 D N 1.058 121.465 120.400 0.010 0.000 2.123 271 D HA -0.096 4.545 4.640 0.001 0.000 0.196 271 D C 1.907 178.197 176.300 -0.017 0.000 0.992 271 D CA 1.208 55.208 54.000 -0.001 0.000 0.833 271 D CB -0.466 40.331 40.800 -0.006 0.000 0.954 271 D HN 0.540 nan 8.370 nan 0.000 0.455 272 N N -0.310 118.367 118.700 -0.038 0.000 2.402 272 N HA 0.062 4.802 4.740 0.001 0.000 0.174 272 N C 1.733 177.183 175.510 -0.099 0.000 1.027 272 N CA 0.287 53.299 53.050 -0.063 0.000 0.891 272 N CB 0.522 38.964 38.487 -0.074 0.000 1.016 272 N HN 0.232 nan 8.380 nan 0.000 0.439 273 L N 0.460 121.603 121.223 -0.133 0.000 2.590 273 L HA 0.223 4.563 4.340 0.001 0.000 0.227 273 L C 2.570 179.376 176.870 -0.107 0.000 1.099 273 L CA 0.176 54.859 54.840 -0.262 0.000 0.872 273 L CB -0.410 41.225 42.059 -0.706 0.000 1.088 273 L HN 0.063 nan 8.230 nan 0.000 0.479 274 S N 0.981 116.699 115.700 0.029 0.000 2.389 274 S HA -0.236 4.235 4.470 0.001 0.000 0.231 274 S C 1.634 176.275 174.600 0.068 0.000 1.052 274 S CA 2.465 60.724 58.200 0.099 0.000 1.053 274 S CB -0.793 62.451 63.200 0.072 0.000 0.886 274 S HN 0.447 nan 8.310 nan 0.000 0.456 275 T N -1.950 112.617 114.554 0.022 0.000 3.315 275 T HA 0.692 5.042 4.350 0.001 0.000 0.275 275 T C 0.202 174.903 174.700 0.001 0.000 1.598 275 T CA -0.591 61.519 62.100 0.018 0.000 1.368 275 T CB 0.505 69.379 68.868 0.010 0.000 1.079 275 T HN 0.448 nan 8.240 nan 0.000 0.703 276 K N 0.467 120.868 120.400 0.003 0.000 2.603 276 K HA 0.211 4.531 4.320 0.001 0.000 0.216 276 K C -0.164 176.446 176.600 0.017 0.000 1.562 276 K CA -0.369 55.910 56.287 -0.013 0.000 1.012 276 K CB 0.635 33.093 32.500 -0.070 0.000 1.280 276 K HN 0.347 nan 8.250 nan 0.000 0.620 277 N N 0.057 118.796 118.700 0.066 0.000 2.367 277 N HA 0.073 4.813 4.740 0.001 0.000 0.278 277 N C 0.012 175.593 175.510 0.119 0.000 1.117 277 N CA -0.009 53.105 53.050 0.106 0.000 0.867 277 N CB 2.254 40.851 38.487 0.184 0.000 1.649 277 N HN -0.144 nan 8.380 nan 0.000 0.479 278 S N 2.095 117.845 115.700 0.083 0.000 2.368 278 S HA -0.062 4.409 4.470 0.001 0.000 0.225 278 S C 1.384 176.024 174.600 0.067 0.000 1.030 278 S CA 1.436 59.674 58.200 0.063 0.000 0.999 278 S CB 0.022 63.246 63.200 0.040 0.000 0.844 278 S HN 0.605 nan 8.310 nan 0.000 0.459 279 K N -0.523 119.921 120.400 0.073 0.000 2.057 279 K HA -0.056 4.264 4.320 0.001 0.000 0.207 279 K C 1.812 178.412 176.600 -0.001 0.000 1.049 279 K CA 1.529 57.833 56.287 0.028 0.000 0.931 279 K CB -0.373 32.137 32.500 0.017 0.000 0.714 279 K HN 0.386 nan 8.250 nan 0.000 0.440 280 F N 1.782 121.735 119.950 0.006 0.000 2.234 280 F HA -0.162 4.365 4.527 0.001 0.000 0.299 280 F C 2.561 178.365 175.800 0.008 0.000 1.087 280 F CA 1.391 59.394 58.000 0.005 0.000 1.340 280 F CB -0.033 38.969 39.000 0.003 0.000 1.031 280 F HN 0.159 nan 8.300 nan 0.000 0.500 281 E N 0.299 120.605 120.200 0.175 0.000 2.051 281 E HA -0.237 4.113 4.350 0.001 0.000 0.192 281 E C 1.684 178.318 176.600 0.057 0.000 0.991 281 E CA 1.845 58.308 56.400 0.105 0.000 0.799 281 E CB -0.120 29.626 29.700 0.077 0.000 0.748 281 E HN 0.268 nan 8.360 nan 0.000 0.449 282 D N 0.319 120.738 120.400 0.031 0.000 2.092 282 D HA -0.171 4.469 4.640 0.001 0.000 0.193 282 D C 2.105 178.398 176.300 -0.011 0.000 0.994 282 D CA 1.324 55.329 54.000 0.007 0.000 0.828 282 D CB -0.814 39.984 40.800 -0.004 0.000 0.963 282 D HN 0.289 nan 8.370 nan 0.000 0.450 283 c N 0.347 118.911 118.600 -0.059 0.000 2.398 283 c HA -0.179 4.391 4.570 0.001 0.000 0.276 283 c C 2.922 176.995 174.090 -0.028 0.000 1.222 283 c CA 0.454 56.725 56.329 -0.095 0.000 1.746 283 c CB -0.895 41.448 42.510 -0.278 0.000 2.039 283 c HN 0.444 nan 8.230 nan 0.000 0.470 284 c N 0.059 118.668 118.600 0.015 0.000 2.491 284 c HA -0.058 4.513 4.570 0.001 0.000 0.277 284 c C 2.401 176.517 174.090 0.043 0.000 1.455 284 c CA 0.631 56.992 56.329 0.053 0.000 1.758 284 c CB -1.796 40.773 42.510 0.099 0.000 1.745 284 c HN 0.656 nan 8.230 nan 0.000 0.558 285 Q N 0.448 120.267 119.800 0.032 0.000 2.424 285 Q HA 0.022 4.363 4.340 0.001 0.000 0.204 285 Q C 0.654 176.671 176.000 0.029 0.000 0.933 285 Q CA 0.331 56.151 55.803 0.030 0.000 0.929 285 Q CB 0.170 28.924 28.738 0.025 0.000 1.037 285 Q HN 0.654 nan 8.270 nan 0.000 0.511 286 E N 1.167 121.384 120.200 0.029 0.000 2.438 286 E HA -0.085 4.265 4.350 0.001 0.000 0.261 286 E C 0.867 177.491 176.600 0.039 0.000 1.103 286 E CA 0.214 56.634 56.400 0.035 0.000 0.959 286 E CB 0.600 30.324 29.700 0.039 0.000 0.958 286 E HN 0.065 nan 8.360 nan 0.000 0.447 287 K N 0.658 121.083 120.400 0.040 0.000 1.969 287 K HA -0.089 4.231 4.320 0.001 0.000 0.216 287 K C 1.484 178.110 176.600 0.044 0.000 1.048 287 K CA 1.581 57.891 56.287 0.038 0.000 0.948 287 K CB -0.957 31.566 32.500 0.037 0.000 0.726 287 K HN 0.744 nan 8.250 nan 0.000 0.442 288 T N -3.061 111.528 114.554 0.059 0.000 2.937 288 T HA 0.616 4.966 4.350 0.001 0.000 0.283 288 T C 1.331 176.087 174.700 0.093 0.000 1.012 288 T CA -0.229 61.913 62.100 0.070 0.000 0.997 288 T CB 1.778 70.698 68.868 0.087 0.000 1.136 288 T HN 0.126 nan 8.240 nan 0.000 0.551 289 A N 0.862 123.746 122.820 0.107 0.000 1.865 289 A HA -0.027 4.294 4.320 0.001 0.000 0.217 289 A C 2.390 180.061 177.584 0.146 0.000 1.191 289 A CA 1.668 53.778 52.037 0.120 0.000 0.623 289 A CB -1.030 18.038 19.000 0.114 0.000 0.826 289 A HN 0.763 nan 8.150 nan 0.000 0.444 290 M N 0.223 119.907 119.600 0.139 0.000 2.213 290 M HA -0.128 4.353 4.480 0.001 0.000 0.263 290 M C 1.229 177.609 176.300 0.134 0.000 1.062 290 M CA 1.309 56.675 55.300 0.110 0.000 1.105 290 M CB -1.580 31.033 32.600 0.022 0.000 1.385 290 M HN 0.384 nan 8.290 nan 0.000 0.417 291 D N -0.100 120.371 120.400 0.118 0.000 2.178 291 D HA -0.070 4.570 4.640 0.001 0.000 0.202 291 D C 2.283 178.635 176.300 0.086 0.000 0.974 291 D CA 0.865 54.922 54.000 0.096 0.000 0.841 291 D CB -0.266 40.583 40.800 0.081 0.000 0.953 291 D HN 0.174 nan 8.370 nan 0.000 0.478 292 V N 0.528 120.499 119.914 0.096 0.000 2.323 292 V HA -0.176 3.945 4.120 0.001 0.000 0.244 292 V C 2.096 178.230 176.094 0.067 0.000 1.041 292 V CA 1.048 63.388 62.300 0.067 0.000 1.025 292 V CB -0.562 31.311 31.823 0.084 0.000 0.656 292 V HN 0.069 nan 8.190 nan 0.000 0.451 293 F N 0.428 120.380 119.950 0.002 0.000 2.126 293 F HA -0.199 4.328 4.527 0.000 0.000 0.299 293 F C 2.410 178.188 175.800 -0.036 0.000 1.096 293 F CA 1.895 59.896 58.000 0.003 0.000 1.255 293 F CB -0.236 38.763 39.000 -0.002 0.000 0.997 293 F HN -0.037 nan 8.300 nan 0.000 0.479 294 V N -0.525 119.437 119.914 0.079 0.000 2.407 294 V HA -0.312 3.808 4.120 0.001 0.000 0.248 294 V C 2.485 178.514 176.094 -0.109 0.000 1.055 294 V CA 2.275 64.523 62.300 -0.087 0.000 1.049 294 V CB -0.655 31.187 31.823 0.032 0.000 0.662 294 V HN 0.715 nan 8.190 nan 0.000 0.455 295 c N 0.838 119.417 118.600 -0.036 0.000 2.453 295 c HA -0.127 4.443 4.570 0.001 0.000 0.277 295 c C 3.165 177.148 174.090 -0.178 0.000 1.262 295 c CA 2.150 58.453 56.329 -0.043 0.000 1.718 295 c CB -1.303 41.171 42.510 -0.060 0.000 2.031 295 c HN 0.804 nan 8.230 nan 0.000 0.480 296 T N -2.160 112.219 114.554 -0.293 0.000 2.867 296 T HA -0.198 4.153 4.350 0.001 0.000 0.268 296 T C 1.711 176.203 174.700 -0.347 0.000 1.057 296 T CA 1.686 63.536 62.100 -0.417 0.000 1.136 296 T CB -0.837 67.803 68.868 -0.381 0.000 0.874 296 T HN 0.690 nan 8.240 nan 0.000 0.466 297 Y N 1.070 121.044 120.300 -0.544 0.000 2.242 297 Y HA 0.125 4.675 4.550 0.000 0.000 0.291 297 Y C 1.566 177.299 175.900 -0.280 0.000 1.137 297 Y CA 0.586 58.356 58.100 -0.549 0.000 1.181 297 Y CB -0.370 37.601 38.460 -0.815 0.000 0.989 297 Y HN 0.186 nan 8.280 nan 0.000 0.527 298 F N -0.035 119.768 119.950 -0.245 0.000 2.615 298 F HA 0.068 4.596 4.527 0.001 0.000 0.297 298 F C 1.265 176.936 175.800 -0.215 0.000 1.124 298 F CA -0.057 57.807 58.000 -0.226 0.000 1.451 298 F CB -0.876 38.089 39.000 -0.058 0.000 1.103 298 F HN -0.047 nan 8.300 nan 0.000 0.569 299 M N 3.013 122.581 119.600 -0.054 0.000 2.336 299 M HA 0.032 4.513 4.480 0.001 0.000 0.371 299 M C -2.270 173.998 176.300 -0.053 0.000 1.542 299 M CA -1.272 53.983 55.300 -0.076 0.000 0.959 299 M CB 0.289 32.793 32.600 -0.161 0.000 2.033 299 M HN -0.217 nan 8.290 nan 0.000 0.472 300 P HA 0.166 nan 4.420 nan 0.000 0.272 300 P C -1.304 176.003 177.300 0.013 0.000 1.240 300 P CA -0.377 62.718 63.100 -0.008 0.000 0.791 300 P CB 0.459 32.155 31.700 -0.007 0.000 0.978 301 A N 1.196 124.033 122.820 0.029 0.000 2.511 301 A HA 0.455 4.775 4.320 0.001 0.000 0.242 301 A C 0.582 178.194 177.584 0.047 0.000 1.069 301 A CA 0.152 52.217 52.037 0.047 0.000 0.763 301 A CB -0.721 18.318 19.000 0.065 0.000 1.001 301 A HN 0.590 nan 8.150 nan 0.000 0.498 302 A N 1.784 124.631 122.820 0.045 0.000 2.272 302 A HA 0.531 4.852 4.320 0.001 0.000 0.275 302 A C 0.505 178.099 177.584 0.016 0.000 1.096 302 A CA -0.361 51.695 52.037 0.031 0.000 0.822 302 A CB 0.056 19.079 19.000 0.039 0.000 1.088 302 A HN 0.976 nan 8.150 nan 0.000 0.495 303 Q N 0.371 120.167 119.800 -0.007 0.000 2.244 303 Q HA 0.306 4.647 4.340 0.001 0.000 0.278 303 Q C -0.911 175.071 176.000 -0.029 0.000 1.093 303 Q CA 0.704 56.485 55.803 -0.037 0.000 0.916 303 Q CB -0.345 28.367 28.738 -0.043 0.000 1.159 303 Q HN 0.481 nan 8.270 nan 0.000 0.384 304 L N 7.450 128.653 121.223 -0.034 0.000 2.416 304 L HA 0.163 4.504 4.340 0.001 0.000 0.272 304 L C -1.294 175.552 176.870 -0.039 0.000 1.161 304 L CA -1.620 53.202 54.840 -0.029 0.000 0.845 304 L CB 0.445 42.497 42.059 -0.012 0.000 1.119 304 L HN 0.694 nan 8.230 nan 0.000 0.464 305 P HA -0.215 nan 4.420 nan 0.000 0.217 305 P C -0.271 177.010 177.300 -0.032 0.000 1.151 305 P CA 0.964 64.044 63.100 -0.034 0.000 0.849 305 P CB 0.110 31.787 31.700 -0.039 0.000 0.787 306 E N -1.418 118.761 120.200 -0.034 0.000 6.165 306 E HA -0.146 4.205 4.350 0.001 0.000 0.190 306 E C -1.276 175.312 176.600 -0.021 0.000 1.399 306 E CA 0.392 56.776 56.400 -0.026 0.000 1.382 306 E CB -1.543 28.141 29.700 -0.026 0.000 0.979 306 E HN 0.113 nan 8.360 nan 0.000 0.311 307 L N 3.458 124.669 121.223 -0.020 0.000 2.211 307 L HA 0.794 5.134 4.340 0.001 0.000 0.259 307 L C -1.649 175.219 176.870 -0.004 0.000 1.031 307 L CA -2.662 52.170 54.840 -0.013 0.000 0.877 307 L CB 0.784 42.832 42.059 -0.019 0.000 1.457 307 L HN 0.291 nan 8.230 nan 0.000 0.466 308 P HA 0.063 nan 4.420 nan 0.000 0.270 308 P C -0.972 176.339 177.300 0.018 0.000 1.223 308 P CA -0.321 62.785 63.100 0.012 0.000 0.785 308 P CB 0.317 32.026 31.700 0.015 0.000 0.923 309 D N -0.384 120.032 120.400 0.027 0.000 2.406 309 D HA 0.008 4.649 4.640 0.001 0.000 0.234 309 D C -0.216 176.120 176.300 0.059 0.000 1.196 309 D CA 0.544 54.569 54.000 0.042 0.000 0.881 309 D CB 0.791 41.620 40.800 0.047 0.000 1.205 309 D HN 0.006 nan 8.370 nan 0.000 0.453 310 V N 1.272 121.241 119.914 0.092 0.000 2.667 310 V HA 0.147 4.268 4.120 0.001 0.000 0.308 310 V C -0.361 175.856 176.094 0.205 0.000 1.048 310 V CA -0.661 61.728 62.300 0.148 0.000 0.928 310 V CB 1.914 33.830 31.823 0.154 0.000 1.004 310 V HN 0.509 nan 8.190 nan 0.000 0.444 311 E N 5.900 126.203 120.200 0.173 0.000 2.227 311 E HA 0.192 4.542 4.350 0.001 0.000 0.282 311 E C -0.751 175.825 176.600 -0.040 0.000 1.015 311 E CA -0.848 55.602 56.400 0.083 0.000 0.823 311 E CB 1.641 31.367 29.700 0.044 0.000 1.081 311 E HN 0.525 nan 8.360 nan 0.000 0.396 312 L N 5.230 126.346 121.223 -0.180 0.000 2.433 312 L HA 0.267 4.608 4.340 0.001 0.000 0.284 312 L C -2.422 174.235 176.870 -0.354 0.000 1.120 312 L CA -1.702 52.804 54.840 -0.558 0.000 0.879 312 L CB -0.094 41.770 42.059 -0.326 0.000 1.232 312 L HN 0.340 nan 8.230 nan 0.000 0.454 313 P HA 0.021 nan 4.420 nan 0.000 0.259 313 P C -0.263 177.020 177.300 -0.027 0.000 1.163 313 P CA 0.598 63.615 63.100 -0.139 0.000 0.760 313 P CB 0.232 31.869 31.700 -0.107 0.000 0.762 314 T N -1.534 113.060 114.554 0.066 0.000 3.641 314 T HA 0.182 4.532 4.350 0.001 0.000 0.313 314 T C 0.288 175.084 174.700 0.160 0.000 0.952 314 T CA -0.691 61.584 62.100 0.292 0.000 1.004 314 T CB -0.841 68.164 68.868 0.228 0.000 1.209 314 T HN 0.367 nan 8.240 nan 0.000 0.493 315 N N 1.268 119.936 118.700 -0.054 0.000 2.460 315 N HA 0.496 5.237 4.740 0.001 0.000 0.296 315 N C 1.728 176.924 175.510 -0.523 0.000 1.319 315 N CA 0.021 52.927 53.050 -0.240 0.000 0.945 315 N CB -0.014 38.397 38.487 -0.126 0.000 1.096 315 N HN 0.127 nan 8.380 nan 0.000 0.538 316 K N -0.878 119.290 120.400 -0.386 0.000 2.001 316 K HA -0.088 4.232 4.320 0.001 0.000 0.208 316 K C 0.976 177.442 176.600 -0.223 0.000 1.048 316 K CA 1.754 57.812 56.287 -0.381 0.000 0.932 316 K CB -1.389 30.980 32.500 -0.218 0.000 0.715 316 K HN 0.782 nan 8.250 nan 0.000 0.437 324 T N -4.911 109.652 114.554 0.015 0.000 3.824 324 T HA 0.390 4.740 4.350 0.001 0.000 0.232 324 T C -0.435 174.280 174.700 0.024 0.000 0.927 324 T CA -0.610 61.504 62.100 0.023 0.000 1.620 324 T CB -0.043 68.837 68.868 0.021 0.000 0.762 324 T HN 0.757 nan 8.240 nan 0.000 0.619 325 K N 0.974 121.389 120.400 0.025 0.000 2.440 325 K HA 0.280 4.601 4.320 0.001 0.000 0.207 325 K C 1.795 178.421 176.600 0.043 0.000 1.112 325 K CA 0.640 56.942 56.287 0.024 0.000 1.036 325 K CB 0.573 33.079 32.500 0.010 0.000 0.935 325 K HN 0.368 nan 8.250 nan 0.000 0.564 326 V N -1.223 118.722 119.914 0.053 0.000 2.535 326 V HA -0.041 4.079 4.120 0.001 0.000 0.246 326 V C 1.960 178.124 176.094 0.118 0.000 1.045 326 V CA 0.566 62.910 62.300 0.073 0.000 1.058 326 V CB -0.241 31.614 31.823 0.054 0.000 0.689 326 V HN 0.119 nan 8.190 nan 0.000 0.461 327 M N 0.844 120.509 119.600 0.108 0.000 2.254 327 M HA -0.022 4.458 4.480 0.001 0.000 0.265 327 M C 1.806 178.208 176.300 0.170 0.000 1.066 327 M CA 1.418 56.810 55.300 0.153 0.000 1.123 327 M CB -1.311 31.352 32.600 0.105 0.000 1.388 327 M HN 0.406 nan 8.290 nan 0.000 0.425 328 D N 0.347 120.814 120.400 0.112 0.000 2.117 328 D HA -0.143 4.498 4.640 0.001 0.000 0.198 328 D C 1.970 178.348 176.300 0.130 0.000 0.982 328 D CA 1.137 55.193 54.000 0.093 0.000 0.828 328 D CB -0.133 40.694 40.800 0.045 0.000 0.967 328 D HN 0.152 nan 8.370 nan 0.000 0.464 329 K N 0.191 120.671 120.400 0.133 0.000 2.026 329 K HA -0.193 4.127 4.320 0.001 0.000 0.208 329 K C 2.161 178.901 176.600 0.234 0.000 1.048 329 K CA 1.052 57.442 56.287 0.172 0.000 0.929 329 K CB -0.885 31.695 32.500 0.134 0.000 0.713 329 K HN 0.164 nan 8.250 nan 0.000 0.439 330 Y N 1.265 121.627 120.300 0.104 0.000 2.181 330 Y HA -0.201 4.349 4.550 0.000 0.000 0.288 330 Y C 1.920 177.871 175.900 0.084 0.000 1.146 330 Y CA 2.408 60.557 58.100 0.083 0.000 1.164 330 Y CB -0.780 37.715 38.460 0.058 0.000 0.982 330 Y HN 0.138 nan 8.280 nan 0.000 0.515 331 T N 1.178 115.689 114.554 -0.071 0.000 2.622 331 T HA -0.258 4.092 4.350 0.001 0.000 0.266 331 T C 1.551 176.190 174.700 -0.103 0.000 1.047 331 T CA 1.793 63.804 62.100 -0.148 0.000 1.159 331 T CB -1.021 67.860 68.868 0.022 0.000 0.863 331 T HN 0.455 nan 8.240 nan 0.000 0.422 332 F N 2.493 122.383 119.950 -0.099 0.000 2.063 332 F HA -0.204 4.323 4.527 0.001 0.000 0.298 332 F C 2.366 178.113 175.800 -0.089 0.000 1.109 332 F CA 1.616 59.575 58.000 -0.069 0.000 1.212 332 F CB -0.341 38.641 39.000 -0.031 0.000 0.973 332 F HN 0.050 nan 8.300 nan 0.000 0.480 333 E N 0.247 120.346 120.200 -0.169 0.000 2.077 333 E HA -0.197 4.153 4.350 0.001 0.000 0.193 333 E C 2.240 178.669 176.600 -0.285 0.000 0.989 333 E CA 1.311 57.561 56.400 -0.251 0.000 0.800 333 E CB -0.964 28.711 29.700 -0.041 0.000 0.746 333 E HN 0.479 nan 8.360 nan 0.000 0.452 334 L N 1.354 122.355 121.223 -0.370 0.000 2.005 334 L HA -0.164 4.176 4.340 0.001 0.000 0.207 334 L C 2.465 179.200 176.870 -0.224 0.000 1.072 334 L CA 2.373 57.005 54.840 -0.347 0.000 0.744 334 L CB -0.863 40.830 42.059 -0.610 0.000 0.895 334 L HN 0.122 nan 8.230 nan 0.000 0.433 335 S N 0.477 116.044 115.700 -0.221 0.000 2.382 335 S HA -0.250 4.220 4.470 0.001 0.000 0.228 335 S C 2.084 176.592 174.600 -0.154 0.000 1.027 335 S CA 1.009 59.124 58.200 -0.141 0.000 0.991 335 S CB -0.819 62.322 63.200 -0.099 0.000 0.823 335 S HN 0.710 nan 8.310 nan 0.000 0.469 336 R N 1.811 122.150 120.500 -0.267 0.000 2.280 336 R HA 0.080 4.421 4.340 0.001 0.000 0.207 336 R C 2.022 178.223 176.300 -0.167 0.000 1.043 336 R CA 1.148 57.087 56.100 -0.269 0.000 1.006 336 R CB -0.432 29.565 30.300 -0.504 0.000 0.885 336 R HN 0.711 nan 8.270 nan 0.000 0.467 337 R N -0.550 119.868 120.500 -0.136 0.000 2.531 337 R HA 0.227 4.567 4.340 0.001 0.000 0.316 337 R C -0.775 175.504 176.300 -0.035 0.000 0.955 337 R CA -0.309 55.744 56.100 -0.078 0.000 1.120 337 R CB 0.701 30.953 30.300 -0.079 0.000 1.361 337 R HN -0.107 nan 8.270 nan 0.000 0.534 338 T N 1.288 115.824 114.554 -0.031 0.000 2.786 338 T HA 0.124 4.474 4.350 0.001 0.000 0.283 338 T C -1.397 173.329 174.700 0.043 0.000 0.992 338 T CA -0.479 61.624 62.100 0.005 0.000 0.954 338 T CB 1.321 70.183 68.868 -0.010 0.000 0.934 338 T HN 0.193 nan 8.240 nan 0.000 0.440 339 H N 3.744 122.790 119.070 -0.041 0.000 3.118 339 H HA 0.590 5.146 4.556 0.000 0.000 0.266 339 H C -0.953 174.339 175.328 -0.061 0.000 1.465 339 H CA -0.693 55.329 56.048 -0.042 0.000 1.460 339 H CB -0.488 29.250 29.762 -0.039 0.000 1.661 339 H HN 0.307 nan 8.280 nan 0.000 0.516 340 L N 7.053 128.123 121.223 -0.255 0.000 2.549 340 L HA 0.433 4.773 4.340 0.001 0.000 0.259 340 L C -2.697 174.089 176.870 -0.141 0.000 0.934 340 L CA -1.856 52.812 54.840 -0.287 0.000 0.865 340 L CB 2.190 44.158 42.059 -0.151 0.000 1.352 340 L HN 0.380 nan 8.230 nan 0.000 0.410 341 P HA 0.065 nan 4.420 nan 0.000 0.270 341 P C 0.086 177.494 177.300 0.180 0.000 1.223 341 P CA -0.008 63.134 63.100 0.070 0.000 0.785 341 P CB 0.712 32.492 31.700 0.133 0.000 0.923 342 E N 1.676 121.958 120.200 0.137 0.000 2.160 342 E HA -0.141 4.210 4.350 0.001 0.000 0.195 342 E C 1.415 178.128 176.600 0.188 0.000 0.991 342 E CA 1.799 58.283 56.400 0.140 0.000 0.810 342 E CB -0.375 29.392 29.700 0.111 0.000 0.742 342 E HN 0.302 nan 8.360 nan 0.000 0.466 343 V N -1.692 118.352 119.914 0.216 0.000 2.626 343 V HA -0.138 3.983 4.120 0.001 0.000 0.252 343 V C 2.193 178.384 176.094 0.161 0.000 1.067 343 V CA 1.276 63.686 62.300 0.184 0.000 1.081 343 V CB -1.054 30.829 31.823 0.099 0.000 0.686 343 V HN -0.001 nan 8.190 nan 0.000 0.468 344 F N 0.457 120.514 119.950 0.179 0.000 2.118 344 F HA 0.154 4.681 4.527 0.000 0.000 0.293 344 F C 2.230 178.226 175.800 0.325 0.000 1.102 344 F CA 1.709 59.901 58.000 0.321 0.000 1.247 344 F CB -0.473 38.659 39.000 0.221 0.000 1.017 344 F HN 0.022 nan 8.300 nan 0.000 0.475 345 L N -0.940 120.513 121.223 0.384 0.000 2.042 345 L HA -0.272 4.069 4.340 0.001 0.000 0.210 345 L C 2.470 179.385 176.870 0.074 0.000 1.076 345 L CA 1.465 56.426 54.840 0.202 0.000 0.749 345 L CB -0.902 41.227 42.059 0.116 0.000 0.893 345 L HN 0.074 nan 8.230 nan 0.000 0.432 346 S N -0.607 115.118 115.700 0.043 0.000 2.382 346 S HA -0.212 4.259 4.470 0.001 0.000 0.228 346 S C 1.968 176.516 174.600 -0.087 0.000 1.027 346 S CA 1.333 59.484 58.200 -0.082 0.000 0.991 346 S CB -0.133 62.953 63.200 -0.191 0.000 0.823 346 S HN 0.321 nan 8.310 nan 0.000 0.469 347 K N 0.671 121.059 120.400 -0.021 0.000 2.097 347 K HA -0.005 4.316 4.320 0.001 0.000 0.205 347 K C 1.928 178.372 176.600 -0.261 0.000 1.050 347 K CA 1.086 57.326 56.287 -0.077 0.000 0.938 347 K CB -0.143 32.362 32.500 0.007 0.000 0.718 347 K HN 0.228 nan 8.250 nan 0.000 0.442 348 V N 0.629 120.304 119.914 -0.398 0.000 2.825 348 V HA -0.002 4.119 4.120 0.001 0.000 0.246 348 V C 1.789 177.732 176.094 -0.253 0.000 1.068 348 V CA 0.642 62.589 62.300 -0.588 0.000 1.088 348 V CB -0.014 31.187 31.823 -1.036 0.000 0.733 348 V HN 0.297 nan 8.190 nan 0.000 0.468 349 L N 0.364 121.509 121.223 -0.130 0.000 2.201 349 L HA -0.142 4.198 4.340 0.001 0.000 0.212 349 L C 2.454 179.285 176.870 -0.064 0.000 1.105 349 L CA 2.015 56.826 54.840 -0.047 0.000 0.775 349 L CB -0.466 41.590 42.059 -0.005 0.000 0.913 349 L HN 0.526 nan 8.230 nan 0.000 0.440 350 E N 1.317 121.457 120.200 -0.101 0.000 2.007 350 E HA -0.193 4.158 4.350 0.001 0.000 0.194 350 E C -0.806 175.743 176.600 -0.085 0.000 0.999 350 E CA 1.357 57.702 56.400 -0.093 0.000 0.811 350 E CB -0.641 28.996 29.700 -0.105 0.000 0.762 350 E HN 0.256 nan 8.360 nan 0.000 0.450 351 P HA 0.004 nan 4.420 nan 0.000 0.247 351 P C 0.445 177.690 177.300 -0.091 0.000 1.225 351 P CA 0.845 63.890 63.100 -0.092 0.000 0.768 351 P CB 0.341 31.980 31.700 -0.101 0.000 1.020 352 T N -0.349 114.153 114.554 -0.087 0.000 3.033 352 T HA 0.169 4.519 4.350 0.001 0.000 0.248 352 T C 1.616 176.275 174.700 -0.068 0.000 1.040 352 T CA 0.456 62.511 62.100 -0.074 0.000 1.133 352 T CB -0.145 68.692 68.868 -0.051 0.000 0.895 352 T HN 0.078 nan 8.240 nan 0.000 0.465 353 L N 0.682 121.875 121.223 -0.050 0.000 2.509 353 L HA 0.245 4.585 4.340 0.001 0.000 0.222 353 L C 2.475 179.312 176.870 -0.055 0.000 1.123 353 L CA 0.541 55.356 54.840 -0.041 0.000 0.856 353 L CB -0.385 41.668 42.059 -0.010 0.000 0.985 353 L HN 0.034 nan 8.230 nan 0.000 0.456 354 K N 0.633 120.996 120.400 -0.062 0.000 2.228 354 K HA -0.008 4.312 4.320 0.001 0.000 0.202 354 K C 1.898 178.450 176.600 -0.080 0.000 1.051 354 K CA 0.871 57.121 56.287 -0.061 0.000 0.960 354 K CB 0.266 32.731 32.500 -0.058 0.000 0.743 354 K HN 0.144 nan 8.250 nan 0.000 0.458 355 S N 1.187 116.827 115.700 -0.100 0.000 2.371 355 S HA 0.071 4.542 4.470 0.001 0.000 0.221 355 S C 1.984 176.461 174.600 -0.205 0.000 1.036 355 S CA 0.444 58.565 58.200 -0.132 0.000 0.965 355 S CB -0.073 63.052 63.200 -0.124 0.000 0.845 355 S HN 0.208 nan 8.310 nan 0.000 0.475 356 L N 1.211 122.306 121.223 -0.213 0.000 2.079 356 L HA -0.103 4.238 4.340 0.001 0.000 0.210 356 L C 2.675 179.376 176.870 -0.281 0.000 1.081 356 L CA 1.329 55.972 54.840 -0.329 0.000 0.752 356 L CB -1.054 40.897 42.059 -0.180 0.000 0.896 356 L HN 0.431 nan 8.230 nan 0.000 0.433 357 G N 0.481 109.209 108.800 -0.119 0.000 2.404 357 G HA2 -0.242 3.719 3.960 0.001 0.000 0.215 357 G HA3 -0.242 3.719 3.960 0.001 0.000 0.215 357 G C 1.278 176.151 174.900 -0.046 0.000 1.174 357 G CA 0.641 45.718 45.100 -0.038 0.000 0.780 357 G HN 0.628 nan 8.290 nan 0.000 0.537 358 E N -0.598 119.555 120.200 -0.078 0.000 2.515 358 E HA -0.023 4.327 4.350 0.001 0.000 0.201 358 E C 1.834 178.387 176.600 -0.079 0.000 1.071 358 E CA 0.439 56.802 56.400 -0.061 0.000 0.880 358 E CB -0.443 29.219 29.700 -0.063 0.000 0.828 358 E HN 0.314 nan 8.360 nan 0.000 0.540 359 c N 0.666 119.172 118.600 -0.156 0.000 2.504 359 c HA 0.161 4.731 4.570 0.001 0.000 0.279 359 c C 1.566 175.713 174.090 0.094 0.000 1.358 359 c CA 0.198 56.406 56.329 -0.202 0.000 1.747 359 c CB -0.724 41.305 42.510 -0.802 0.000 2.037 359 c HN 0.781 nan 8.230 nan 0.000 0.503 366 T N 2.253 116.837 114.554 0.049 0.000 2.867 366 T HA -0.064 4.286 4.350 0.001 0.000 0.268 366 T C 1.962 176.725 174.700 0.104 0.000 1.057 366 T CA 1.999 64.107 62.100 0.012 0.000 1.136 366 T CB -0.476 68.359 68.868 -0.055 0.000 0.874 366 T HN 0.562 nan 8.240 nan 0.000 0.466 367 T N 0.496 115.099 114.554 0.083 0.000 2.803 367 T HA -0.187 4.163 4.350 0.001 0.000 0.269 367 T C 2.286 177.049 174.700 0.105 0.000 1.052 367 T CA 1.546 63.690 62.100 0.074 0.000 1.136 367 T CB -0.952 67.944 68.868 0.046 0.000 0.864 367 T HN 0.525 nan 8.240 nan 0.000 0.467 368 c N 0.566 119.256 118.600 0.150 0.000 2.418 368 c HA -0.059 4.512 4.570 0.001 0.000 0.280 368 c C 2.201 176.354 174.090 0.106 0.000 1.223 368 c CA 0.916 57.310 56.329 0.109 0.000 1.736 368 c CB -1.922 40.650 42.510 0.104 0.000 2.056 368 c HN 0.670 nan 8.230 nan 0.000 0.459 369 F N 1.795 121.734 119.950 -0.020 0.000 2.481 369 F HA -0.066 4.462 4.527 0.001 0.000 0.297 369 F C 2.158 177.945 175.800 -0.022 0.000 1.095 369 F CA 1.204 59.189 58.000 -0.024 0.000 1.465 369 F CB -0.750 38.234 39.000 -0.027 0.000 1.098 369 F HN 0.455 nan 8.300 nan 0.000 0.585 370 N N -0.775 118.015 118.700 0.150 0.000 2.356 370 N HA 0.141 4.882 4.740 0.001 0.000 0.178 370 N C 1.851 177.384 175.510 0.040 0.000 1.075 370 N CA 0.907 54.005 53.050 0.080 0.000 0.889 370 N CB 0.163 38.688 38.487 0.063 0.000 0.999 370 N HN 0.281 nan 8.380 nan 0.000 0.464 371 A N 0.811 123.646 122.820 0.026 0.000 2.140 371 A HA 0.188 4.508 4.320 0.001 0.000 0.209 371 A C 2.161 179.734 177.584 -0.018 0.000 1.181 371 A CA 0.956 52.995 52.037 0.003 0.000 0.824 371 A CB -0.043 18.957 19.000 0.001 0.000 0.879 371 A HN 0.251 nan 8.150 nan 0.000 0.480 372 K N -0.847 119.528 120.400 -0.041 0.000 2.214 372 K HA 0.336 4.656 4.320 0.001 0.000 0.201 372 K C 2.242 178.802 176.600 -0.067 0.000 1.049 372 K CA 1.194 57.435 56.287 -0.076 0.000 0.978 372 K CB -1.642 30.769 32.500 -0.148 0.000 0.842 372 K HN 0.578 nan 8.250 nan 0.000 0.474 373 G N 2.043 110.813 108.800 -0.050 0.000 2.766 373 G HA2 -0.299 3.662 3.960 0.001 0.000 0.222 373 G HA3 -0.299 3.662 3.960 0.001 0.000 0.222 373 G C -0.378 174.510 174.900 -0.020 0.000 1.225 373 G CA 1.626 46.711 45.100 -0.025 0.000 0.784 373 G HN 0.493 nan 8.290 nan 0.000 0.631 374 P HA -0.027 nan 4.420 nan 0.000 0.218 374 P C 2.108 179.405 177.300 -0.005 0.000 1.148 374 P CA 0.721 63.820 63.100 -0.001 0.000 0.822 374 P CB -0.114 31.589 31.700 0.004 0.000 0.784 375 L N -1.654 119.560 121.223 -0.015 0.000 2.027 375 L HA -0.145 4.195 4.340 0.001 0.000 0.206 375 L C 2.391 179.250 176.870 -0.018 0.000 1.074 375 L CA 1.361 56.191 54.840 -0.016 0.000 0.745 375 L CB -0.833 41.210 42.059 -0.027 0.000 0.898 375 L HN -0.030 nan 8.230 nan 0.000 0.433 376 L N -0.618 120.584 121.223 -0.035 0.000 2.109 376 L HA -0.181 4.159 4.340 0.001 0.000 0.207 376 L C 2.591 179.454 176.870 -0.012 0.000 1.086 376 L CA 1.166 55.984 54.840 -0.037 0.000 0.760 376 L CB -0.469 41.549 42.059 -0.069 0.000 0.910 376 L HN 0.207 nan 8.230 nan 0.000 0.437 377 K N 0.192 120.586 120.400 -0.009 0.000 2.063 377 K HA -0.222 4.099 4.320 0.001 0.000 0.208 377 K C 2.201 178.821 176.600 0.034 0.000 1.048 377 K CA 1.295 57.589 56.287 0.012 0.000 0.928 377 K CB -0.092 32.413 32.500 0.008 0.000 0.713 377 K HN 0.179 nan 8.250 nan 0.000 0.442 378 K N 1.479 121.895 120.400 0.027 0.000 2.001 378 K HA -0.158 4.162 4.320 0.001 0.000 0.208 378 K C 1.843 178.476 176.600 0.054 0.000 1.048 378 K CA 1.446 57.755 56.287 0.037 0.000 0.932 378 K CB 0.104 32.620 32.500 0.026 0.000 0.715 378 K HN 0.164 nan 8.250 nan 0.000 0.437 379 E N 0.772 121.001 120.200 0.048 0.000 2.118 379 E HA -0.224 4.126 4.350 0.001 0.000 0.195 379 E C 2.015 178.685 176.600 0.117 0.000 0.992 379 E CA 1.037 57.479 56.400 0.070 0.000 0.804 379 E CB -0.142 29.580 29.700 0.037 0.000 0.741 379 E HN 0.172 nan 8.360 nan 0.000 0.458 380 L N 0.825 122.104 121.223 0.093 0.000 2.056 380 L HA -0.119 4.222 4.340 0.001 0.000 0.207 380 L C 2.374 179.354 176.870 0.183 0.000 1.078 380 L CA 1.825 56.745 54.840 0.134 0.000 0.749 380 L CB -0.658 41.461 42.059 0.099 0.000 0.901 380 L HN -0.042 nan 8.230 nan 0.000 0.433 381 S N -1.619 114.157 115.700 0.128 0.000 2.368 381 S HA -0.201 4.269 4.470 0.001 0.000 0.225 381 S C 2.264 176.929 174.600 0.108 0.000 1.030 381 S CA 1.565 59.830 58.200 0.108 0.000 0.999 381 S CB -0.524 62.721 63.200 0.075 0.000 0.844 381 S HN 0.687 nan 8.310 nan 0.000 0.459 382 S N -0.306 115.462 115.700 0.114 0.000 2.383 382 S HA -0.068 4.402 4.470 0.001 0.000 0.227 382 S C 1.587 176.265 174.600 0.131 0.000 1.026 382 S CA 1.200 59.460 58.200 0.099 0.000 0.981 382 S CB -0.686 62.569 63.200 0.091 0.000 0.818 382 S HN 0.643 nan 8.310 nan 0.000 0.472 383 F N 1.977 121.958 119.950 0.052 0.000 2.051 383 F HA 0.001 4.529 4.527 0.001 0.000 0.296 383 F C 1.937 177.785 175.800 0.081 0.000 1.122 383 F CA 1.799 59.847 58.000 0.080 0.000 1.201 383 F CB -0.394 38.661 39.000 0.092 0.000 0.978 383 F HN 0.191 nan 8.300 nan 0.000 0.472 384 I N 0.518 121.218 120.570 0.217 0.000 2.194 384 I HA -0.367 3.804 4.170 0.001 0.000 0.246 384 I C 1.932 178.007 176.117 -0.070 0.000 1.093 384 I CA 1.713 63.053 61.300 0.067 0.000 1.355 384 I CB -0.656 37.415 38.000 0.118 0.000 1.046 384 I HN 0.231 nan 8.210 nan 0.000 0.413 385 D N 0.711 121.093 120.400 -0.030 0.000 2.144 385 D HA -0.158 4.483 4.640 0.001 0.000 0.200 385 D C 2.136 178.376 176.300 -0.100 0.000 0.978 385 D CA 1.138 55.109 54.000 -0.049 0.000 0.833 385 D CB -0.119 40.674 40.800 -0.011 0.000 0.961 385 D HN 0.187 nan 8.370 nan 0.000 0.470 386 K N 0.651 120.971 120.400 -0.133 0.000 2.057 386 K HA -0.032 4.288 4.320 0.001 0.000 0.206 386 K C 2.039 178.505 176.600 -0.224 0.000 1.050 386 K CA 1.136 57.330 56.287 -0.155 0.000 0.935 386 K CB -0.719 31.686 32.500 -0.159 0.000 0.715 386 K HN 0.148 nan 8.250 nan 0.000 0.439 387 G N 0.224 108.787 108.800 -0.395 0.000 2.402 387 G HA2 -0.263 3.697 3.960 0.001 0.000 0.216 387 G HA3 -0.263 3.697 3.960 0.001 0.000 0.216 387 G C 1.295 175.881 174.900 -0.523 0.000 1.162 387 G CA 0.441 45.121 45.100 -0.699 0.000 0.777 387 G HN 0.333 nan 8.290 nan 0.000 0.539 388 Q N -0.245 119.350 119.800 -0.341 0.000 2.234 388 Q HA -0.126 4.215 4.340 0.001 0.000 0.206 388 Q C 2.322 178.257 176.000 -0.108 0.000 0.980 388 Q CA 1.396 57.078 55.803 -0.202 0.000 0.869 388 Q CB -0.050 28.624 28.738 -0.106 0.000 0.912 388 Q HN 0.738 nan 8.270 nan 0.000 0.436 389 E N 0.564 120.704 120.200 -0.099 0.000 2.122 389 E HA -0.099 4.252 4.350 0.001 0.000 0.190 389 E C 1.842 178.439 176.600 -0.005 0.000 0.977 389 E CA 0.237 56.616 56.400 -0.036 0.000 0.820 389 E CB 0.122 29.799 29.700 -0.038 0.000 0.770 389 E HN 0.292 nan 8.360 nan 0.000 0.462 390 L N 0.141 121.344 121.223 -0.033 0.000 2.156 390 L HA -0.098 4.243 4.340 0.001 0.000 0.208 390 L C 1.897 178.858 176.870 0.152 0.000 1.095 390 L CA 0.523 55.402 54.840 0.065 0.000 0.770 390 L CB 0.022 42.137 42.059 0.093 0.000 0.914 390 L HN 0.356 nan 8.230 nan 0.000 0.439 391 c N -0.042 118.566 118.600 0.014 0.000 2.855 391 c HA 0.416 4.986 4.570 0.001 0.000 0.279 391 c C 1.470 175.603 174.090 0.071 0.000 1.270 391 c CA -1.251 55.082 56.329 0.006 0.000 1.702 391 c CB -1.067 41.342 42.510 -0.167 0.000 1.949 391 c HN 0.375 nan 8.230 nan 0.000 0.618 392 A N 1.444 124.325 122.820 0.101 0.000 2.567 392 A HA 0.289 4.609 4.320 0.001 0.000 0.240 392 A C 0.843 178.563 177.584 0.227 0.000 1.053 392 A CA 0.859 52.980 52.037 0.139 0.000 0.755 392 A CB -0.001 19.063 19.000 0.106 0.000 0.978 392 A HN 0.699 nan 8.150 nan 0.000 0.507 393 D N -0.201 120.310 120.400 0.184 0.000 2.495 393 D HA -0.292 4.348 4.640 0.001 0.000 0.175 393 D C 0.635 176.992 176.300 0.095 0.000 1.040 393 D CA 2.245 56.361 54.000 0.192 0.000 1.049 393 D CB -1.577 39.408 40.800 0.308 0.000 1.105 393 D HN 0.839 nan 8.370 nan 0.000 0.457 394 Y N 1.723 121.895 120.300 -0.213 0.000 2.128 394 Y HA -0.236 4.314 4.550 0.000 0.000 0.284 394 Y C 2.452 178.227 175.900 -0.208 0.000 1.154 394 Y CA 2.703 60.458 58.100 -0.575 0.000 1.149 394 Y CB -0.121 38.000 38.460 -0.565 0.000 0.976 394 Y HN 0.052 nan 8.280 nan 0.000 0.505 395 S N -0.231 115.393 115.700 -0.126 0.000 2.461 395 S HA -0.099 4.371 4.470 0.001 0.000 0.228 395 S C 1.267 175.799 174.600 -0.114 0.000 1.005 395 S CA 1.221 59.351 58.200 -0.116 0.000 0.942 395 S CB -0.172 63.120 63.200 0.153 0.000 0.776 395 S HN 0.505 nan 8.310 nan 0.000 0.514 396 E N 1.253 121.407 120.200 -0.077 0.000 2.474 396 E HA 0.206 4.556 4.350 0.001 0.000 0.194 396 E C 0.146 176.712 176.600 -0.058 0.000 1.041 396 E CA 0.131 56.493 56.400 -0.063 0.000 0.874 396 E CB 0.202 29.877 29.700 -0.042 0.000 0.914 396 E HN 0.354 nan 8.360 nan 0.000 0.498 397 N N 0.041 118.695 118.700 -0.077 0.000 2.405 397 N HA 0.208 4.948 4.740 0.001 0.000 0.285 397 N C -0.537 174.940 175.510 -0.054 0.000 1.262 397 N CA -0.438 52.591 53.050 -0.035 0.000 0.773 397 N CB 1.696 40.202 38.487 0.032 0.000 1.490 397 N HN -0.017 nan 8.380 nan 0.000 0.486 398 T N -1.828 112.724 114.554 -0.004 0.000 2.856 398 T HA 0.100 4.450 4.350 0.001 0.000 0.306 398 T C 1.260 176.027 174.700 0.111 0.000 1.062 398 T CA -0.328 61.792 62.100 0.033 0.000 1.083 398 T CB 0.368 69.262 68.868 0.044 0.000 0.984 398 T HN 0.375 nan 8.240 nan 0.000 0.542 399 F N 2.056 122.018 119.950 0.020 0.000 2.095 399 F HA -0.114 4.413 4.527 0.000 0.000 0.298 399 F C 2.825 178.731 175.800 0.177 0.000 1.104 399 F CA 2.452 60.540 58.000 0.146 0.000 1.232 399 F CB -1.049 38.039 39.000 0.146 0.000 0.987 399 F HN 0.865 nan 8.300 nan 0.000 0.475 400 T N -2.558 112.087 114.554 0.151 0.000 2.833 400 T HA -0.215 4.135 4.350 0.001 0.000 0.269 400 T C 1.762 176.436 174.700 -0.043 0.000 1.054 400 T CA 1.502 63.617 62.100 0.026 0.000 1.135 400 T CB -0.470 68.439 68.868 0.070 0.000 0.869 400 T HN 0.263 nan 8.240 nan 0.000 0.466 401 E N 0.423 120.622 120.200 -0.001 0.000 2.158 401 E HA -0.024 4.326 4.350 0.001 0.000 0.191 401 E C 1.755 178.344 176.600 -0.018 0.000 0.982 401 E CA 0.559 56.952 56.400 -0.010 0.000 0.823 401 E CB -0.586 29.121 29.700 0.012 0.000 0.766 401 E HN 0.725 nan 8.360 nan 0.000 0.468 402 Y N 1.302 121.517 120.300 -0.141 0.000 2.181 402 Y HA -0.104 4.446 4.550 0.001 0.000 0.288 402 Y C 1.654 177.441 175.900 -0.187 0.000 1.146 402 Y CA 1.836 59.847 58.100 -0.147 0.000 1.164 402 Y CB -0.123 38.245 38.460 -0.153 0.000 0.982 402 Y HN -0.095 nan 8.280 nan 0.000 0.515 403 K N 0.420 120.447 120.400 -0.621 0.000 2.097 403 K HA -0.171 4.150 4.320 0.001 0.000 0.206 403 K C 2.061 178.439 176.600 -0.370 0.000 1.049 403 K CA 1.762 57.662 56.287 -0.646 0.000 0.933 403 K CB -0.098 32.122 32.500 -0.467 0.000 0.717 403 K HN 0.378 nan 8.250 nan 0.000 0.442 404 K N 1.099 121.360 120.400 -0.232 0.000 1.973 404 K HA -0.135 4.186 4.320 0.001 0.000 0.212 404 K C 2.061 178.579 176.600 -0.137 0.000 1.047 404 K CA 1.429 57.630 56.287 -0.143 0.000 0.937 404 K CB -0.102 32.346 32.500 -0.087 0.000 0.721 404 K HN 0.044 nan 8.250 nan 0.000 0.440 405 K N 0.832 121.161 120.400 -0.119 0.000 2.074 405 K HA -0.198 4.122 4.320 0.001 0.000 0.209 405 K C 2.160 178.693 176.600 -0.111 0.000 1.048 405 K CA 1.239 57.478 56.287 -0.080 0.000 0.926 405 K CB -0.314 32.171 32.500 -0.025 0.000 0.713 405 K HN 0.044 nan 8.250 nan 0.000 0.444 406 L N 1.166 122.255 121.223 -0.225 0.000 2.012 406 L HA -0.158 4.183 4.340 0.001 0.000 0.210 406 L C 2.229 179.006 176.870 -0.154 0.000 1.073 406 L CA 1.985 56.684 54.840 -0.235 0.000 0.748 406 L CB -0.792 40.966 42.059 -0.502 0.000 0.891 406 L HN 0.139 nan 8.230 nan 0.000 0.431 407 A N -0.564 122.160 122.820 -0.161 0.000 1.933 407 A HA -0.166 4.155 4.320 0.001 0.000 0.218 407 A C 2.347 179.888 177.584 -0.072 0.000 1.175 407 A CA 2.127 54.101 52.037 -0.105 0.000 0.628 407 A CB -1.186 17.754 19.000 -0.100 0.000 0.814 407 A HN 0.569 nan 8.150 nan 0.000 0.444 408 E N 0.070 120.228 120.200 -0.070 0.000 2.110 408 E HA -0.213 4.137 4.350 0.001 0.000 0.193 408 E C 2.137 178.715 176.600 -0.037 0.000 0.988 408 E CA 1.536 57.908 56.400 -0.046 0.000 0.804 408 E CB -0.634 29.041 29.700 -0.041 0.000 0.745 408 E HN 0.754 nan 8.360 nan 0.000 0.458 409 R N -0.808 119.668 120.500 -0.041 0.000 2.064 409 R HA -0.030 4.310 4.340 0.001 0.000 0.228 409 R C 2.349 178.633 176.300 -0.026 0.000 1.144 409 R CA 1.483 57.567 56.100 -0.026 0.000 0.932 409 R CB -0.461 29.828 30.300 -0.019 0.000 0.833 409 R HN 0.365 nan 8.270 nan 0.000 0.429 410 L N 1.779 122.981 121.223 -0.035 0.000 2.127 410 L HA -0.169 4.172 4.340 0.001 0.000 0.211 410 L C 2.881 179.735 176.870 -0.026 0.000 1.089 410 L CA 2.445 57.267 54.840 -0.030 0.000 0.757 410 L CB -0.925 41.113 42.059 -0.036 0.000 0.899 410 L HN 0.343 nan 8.230 nan 0.000 0.434 411 K N -0.003 120.379 120.400 -0.029 0.000 1.985 411 K HA 0.127 4.447 4.320 0.001 0.000 0.210 411 K C 1.596 178.185 176.600 -0.019 0.000 1.047 411 K CA 1.229 57.501 56.287 -0.024 0.000 0.932 411 K CB -1.504 30.980 32.500 -0.026 0.000 0.716 411 K HN 0.377 nan 8.250 nan 0.000 0.439 412 A N 0.474 123.284 122.820 -0.018 0.000 3.051 412 A HA 0.506 4.826 4.320 0.001 0.000 0.257 412 A C 1.053 178.630 177.584 -0.013 0.000 1.785 412 A CA 1.164 53.192 52.037 -0.014 0.000 1.420 412 A CB -1.203 17.789 19.000 -0.013 0.000 1.063 412 A HN 1.150 nan 8.150 nan 0.000 0.630 413 K N -0.165 120.228 120.400 -0.013 0.000 1.836 413 K HA 0.294 4.614 4.320 0.001 0.000 0.128 413 K C -0.135 176.458 176.600 -0.012 0.000 2.070 413 K CA 0.487 56.767 56.287 -0.012 0.000 0.974 413 K CB -0.818 31.675 32.500 -0.012 0.000 2.150 413 K HN 0.610 nan 8.250 nan 0.000 0.386 414 L N 0.772 121.987 121.223 -0.013 0.000 2.745 414 L HA 0.253 4.593 4.340 0.001 0.000 0.296 414 L C -2.219 174.644 176.870 -0.012 0.000 1.362 414 L CA -1.341 53.491 54.840 -0.013 0.000 0.724 414 L CB 2.081 44.132 42.059 -0.014 0.000 1.069 414 L HN -0.045 nan 8.230 nan 0.000 0.535 415 P HA -0.234 nan 4.420 nan 0.000 0.217 415 P C 1.242 178.536 177.300 -0.009 0.000 1.148 415 P CA 1.296 64.390 63.100 -0.010 0.000 0.834 415 P CB 0.339 32.034 31.700 -0.008 0.000 0.783 416 E N -0.635 119.560 120.200 -0.008 0.000 2.481 416 E HA 0.106 4.456 4.350 0.001 0.000 0.195 416 E C 0.256 176.852 176.600 -0.008 0.000 1.047 416 E CA -0.275 56.120 56.400 -0.007 0.000 0.867 416 E CB -0.189 29.508 29.700 -0.007 0.000 0.858 416 E HN 0.069 nan 8.360 nan 0.000 0.513 417 A N 1.432 124.247 122.820 -0.009 0.000 2.488 417 A HA 0.154 4.474 4.320 0.001 0.000 0.249 417 A C 0.483 178.061 177.584 -0.009 0.000 1.083 417 A CA 0.076 52.107 52.037 -0.010 0.000 0.768 417 A CB 0.152 19.145 19.000 -0.012 0.000 1.017 417 A HN 0.324 nan 8.150 nan 0.000 0.496 418 T N 1.415 115.964 114.554 -0.008 0.000 2.907 418 T HA 0.363 4.713 4.350 0.001 0.000 0.298 418 T C -1.744 172.951 174.700 -0.009 0.000 1.017 418 T CA -1.339 60.756 62.100 -0.007 0.000 1.118 418 T CB 0.820 69.685 68.868 -0.006 0.000 0.948 418 T HN 0.357 nan 8.240 nan 0.000 0.531 419 P HA -0.182 nan 4.420 nan 0.000 0.219 419 P C 1.587 178.882 177.300 -0.009 0.000 1.153 419 P CA 1.493 64.587 63.100 -0.011 0.000 0.865 419 P CB -0.201 31.494 31.700 -0.009 0.000 0.788 420 T N -0.796 113.754 114.554 -0.006 0.000 2.701 420 T HA -0.152 4.199 4.350 0.001 0.000 0.263 420 T C 1.614 176.311 174.700 -0.004 0.000 1.040 420 T CA 1.462 63.560 62.100 -0.004 0.000 1.147 420 T CB -0.756 68.110 68.868 -0.002 0.000 0.865 420 T HN 0.335 nan 8.240 nan 0.000 0.426 421 E N 0.971 121.168 120.200 -0.005 0.000 2.058 421 E HA -0.097 4.253 4.350 0.001 0.000 0.194 421 E C 2.232 178.827 176.600 -0.008 0.000 0.997 421 E CA 0.682 57.079 56.400 -0.005 0.000 0.801 421 E CB -0.285 29.411 29.700 -0.006 0.000 0.746 421 E HN 0.138 nan 8.360 nan 0.000 0.450 422 L N 0.994 122.210 121.223 -0.012 0.000 2.021 422 L HA -0.226 4.114 4.340 0.001 0.000 0.215 422 L C 2.289 179.147 176.870 -0.020 0.000 1.074 422 L CA 2.261 57.091 54.840 -0.018 0.000 0.760 422 L CB -1.142 40.904 42.059 -0.021 0.000 0.889 422 L HN 0.134 nan 8.230 nan 0.000 0.433 423 A N -1.014 121.797 122.820 -0.016 0.000 2.067 423 A HA -0.186 4.134 4.320 0.001 0.000 0.219 423 A C 2.303 179.884 177.584 -0.005 0.000 1.158 423 A CA 1.295 53.323 52.037 -0.015 0.000 0.661 423 A CB -0.394 18.601 19.000 -0.010 0.000 0.801 423 A HN 0.337 nan 8.150 nan 0.000 0.452 424 K N 0.189 120.588 120.400 -0.001 0.000 2.116 424 K HA 0.047 4.367 4.320 0.001 0.000 0.203 424 K C 1.756 178.362 176.600 0.010 0.000 1.052 424 K CA 1.051 57.342 56.287 0.008 0.000 0.952 424 K CB -0.385 32.119 32.500 0.006 0.000 0.729 424 K HN 0.548 nan 8.250 nan 0.000 0.446 425 L N 0.478 121.701 121.223 0.000 0.000 2.109 425 L HA -0.117 4.223 4.340 0.001 0.000 0.207 425 L C 2.460 179.331 176.870 0.001 0.000 1.086 425 L CA 0.515 55.355 54.840 -0.000 0.000 0.760 425 L CB -0.475 41.578 42.059 -0.011 0.000 0.910 425 L HN -0.130 nan 8.230 nan 0.000 0.437 426 V N 0.571 120.475 119.914 -0.017 0.000 2.255 426 V HA -0.322 3.799 4.120 0.001 0.000 0.247 426 V C 2.074 178.165 176.094 -0.005 0.000 1.051 426 V CA 2.330 64.605 62.300 -0.043 0.000 1.018 426 V CB -0.789 30.991 31.823 -0.071 0.000 0.641 426 V HN 0.515 nan 8.190 nan 0.000 0.445 427 N N -0.378 118.336 118.700 0.023 0.000 2.120 427 N HA -0.231 4.509 4.740 0.001 0.000 0.188 427 N C 1.958 177.533 175.510 0.108 0.000 1.024 427 N CA 1.420 54.512 53.050 0.070 0.000 0.852 427 N CB -0.161 38.362 38.487 0.059 0.000 1.003 427 N HN 0.447 nan 8.380 nan 0.000 0.424 428 K N 1.176 121.627 120.400 0.085 0.000 2.002 428 K HA -0.152 4.168 4.320 0.001 0.000 0.209 428 K C 2.225 178.920 176.600 0.157 0.000 1.048 428 K CA 1.041 57.391 56.287 0.104 0.000 0.930 428 K CB 0.053 32.590 32.500 0.061 0.000 0.714 428 K HN -0.072 nan 8.250 nan 0.000 0.438 429 R N 1.095 121.674 120.500 0.130 0.000 2.070 429 R HA -0.100 4.240 4.340 0.001 0.000 0.233 429 R C 2.242 178.736 176.300 0.322 0.000 1.137 429 R CA 2.479 58.692 56.100 0.190 0.000 0.945 429 R CB -0.816 29.552 30.300 0.113 0.000 0.845 429 R HN 0.357 nan 8.270 nan 0.000 0.430 430 S N -0.585 115.280 115.700 0.276 0.000 2.399 430 S HA -0.162 4.308 4.470 0.001 0.000 0.231 430 S C 1.794 176.704 174.600 0.517 0.000 1.022 430 S CA 1.497 59.980 58.200 0.471 0.000 0.983 430 S CB -0.507 62.831 63.200 0.230 0.000 0.803 430 S HN 0.509 nan 8.310 nan 0.000 0.480 431 D N 0.641 121.256 120.400 0.357 0.000 2.097 431 D HA -0.108 4.533 4.640 0.001 0.000 0.195 431 D C 1.618 178.059 176.300 0.235 0.000 0.989 431 D CA 1.233 55.394 54.000 0.269 0.000 0.827 431 D CB -0.315 40.606 40.800 0.202 0.000 0.966 431 D HN 0.409 nan 8.370 nan 0.000 0.456 432 F N 0.947 120.983 119.950 0.144 0.000 2.102 432 F HA -0.110 4.417 4.527 0.000 0.000 0.298 432 F C 2.034 177.868 175.800 0.056 0.000 1.105 432 F CA 1.697 59.770 58.000 0.121 0.000 1.239 432 F CB -0.549 38.513 39.000 0.103 0.000 0.991 432 F HN 0.015 nan 8.300 nan 0.000 0.474 433 A N -0.033 122.795 122.820 0.013 0.000 1.933 433 A HA -0.188 4.133 4.320 0.001 0.000 0.218 433 A C 2.337 179.462 177.584 -0.765 0.000 1.175 433 A CA 2.009 53.807 52.037 -0.397 0.000 0.628 433 A CB -1.467 17.397 19.000 -0.226 0.000 0.814 433 A HN 0.540 nan 8.150 nan 0.000 0.444 434 S N -0.224 115.307 115.700 -0.282 0.000 2.469 434 S HA -0.105 4.365 4.470 0.001 0.000 0.238 434 S C 1.458 175.939 174.600 -0.198 0.000 0.998 434 S CA 1.301 59.379 58.200 -0.204 0.000 0.957 434 S CB -0.391 62.727 63.200 -0.137 0.000 0.764 434 S HN 0.599 nan 8.310 nan 0.000 0.514 435 N N -0.027 118.543 118.700 -0.216 0.000 2.454 435 N HA 0.189 4.929 4.740 0.001 0.000 0.177 435 N C 0.279 175.682 175.510 -0.179 0.000 1.049 435 N CA 0.745 53.719 53.050 -0.127 0.000 0.887 435 N CB 0.373 38.855 38.487 -0.010 0.000 1.095 435 N HN 0.431 nan 8.380 nan 0.000 0.446 436 c N -0.099 118.245 118.600 -0.426 0.000 3.098 436 c HA 0.398 4.969 4.570 0.001 0.000 0.265 436 c C 1.177 175.135 174.090 -0.220 0.000 1.572 436 c CA -0.700 55.404 56.329 -0.375 0.000 1.788 436 c CB -1.133 40.971 42.510 -0.676 0.000 2.982 436 c HN 0.414 nan 8.230 nan 0.000 0.532 437 c N 1.608 120.033 118.600 -0.291 0.000 2.994 437 c HA 0.291 4.861 4.570 0.001 0.000 0.284 437 c C 1.305 175.407 174.090 0.020 0.000 1.404 437 c CA -0.140 56.091 56.329 -0.163 0.000 1.775 437 c CB -1.798 40.497 42.510 -0.358 0.000 2.458 437 c HN 0.747 nan 8.230 nan 0.000 0.593 438 S N -0.575 115.149 115.700 0.039 0.000 2.689 438 S HA 0.570 5.041 4.470 0.001 0.000 0.306 438 S C 0.719 175.353 174.600 0.056 0.000 1.104 438 S CA -0.575 57.685 58.200 0.100 0.000 0.973 438 S CB 0.971 64.246 63.200 0.125 0.000 1.121 438 S HN 0.205 nan 8.310 nan 0.000 0.523 439 I N 0.499 121.093 120.570 0.040 0.000 2.335 439 I HA -0.145 4.025 4.170 0.001 0.000 0.251 439 I C 0.532 176.653 176.117 0.007 0.000 1.129 439 I CA 1.203 62.515 61.300 0.019 0.000 1.402 439 I CB -0.112 37.881 38.000 -0.012 0.000 1.069 439 I HN 0.578 nan 8.210 nan 0.000 0.424 440 N N 0.797 119.494 118.700 -0.006 0.000 2.328 440 N HA 0.150 4.890 4.740 0.001 0.000 0.247 440 N C -0.230 175.295 175.510 0.026 0.000 1.165 440 N CA -0.010 53.044 53.050 0.008 0.000 0.873 440 N CB 0.474 38.951 38.487 -0.016 0.000 1.125 440 N HN 0.101 nan 8.380 nan 0.000 0.513 441 S N 2.550 118.262 115.700 0.021 0.000 2.558 441 S HA 0.061 4.531 4.470 0.001 0.000 0.287 441 S C -2.135 172.451 174.600 -0.022 0.000 1.321 441 S CA -0.405 57.794 58.200 -0.001 0.000 1.048 441 S CB 0.297 63.498 63.200 0.001 0.000 0.844 441 S HN 0.256 nan 8.310 nan 0.000 0.512 442 P HA 0.140 nan 4.420 nan 0.000 0.276 442 P C -1.968 175.298 177.300 -0.057 0.000 1.264 442 P CA -1.570 61.449 63.100 -0.136 0.000 0.769 442 P CB 0.624 32.130 31.700 -0.323 0.000 0.840 443 P HA -0.180 nan 4.420 nan 0.000 0.213 443 P C 1.688 178.932 177.300 -0.094 0.000 1.170 443 P CA 1.445 64.436 63.100 -0.181 0.000 0.902 443 P CB 0.158 31.470 31.700 -0.647 0.000 0.789 444 L N -2.043 119.114 121.223 -0.111 0.000 1.989 444 L HA -0.211 4.129 4.340 0.001 0.000 0.211 444 L C 3.052 179.957 176.870 0.059 0.000 1.071 444 L CA 1.905 56.727 54.840 -0.031 0.000 0.749 444 L CB -1.393 40.645 42.059 -0.034 0.000 0.890 444 L HN -0.074 nan 8.230 nan 0.000 0.431 445 Y N 0.146 120.452 120.300 0.009 0.000 2.114 445 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 445 Y C 2.712 178.655 175.900 0.073 0.000 1.143 445 Y CA 1.727 59.889 58.100 0.104 0.000 1.135 445 Y CB -0.560 38.066 38.460 0.278 0.000 0.980 445 Y HN 0.156 nan 8.280 nan 0.000 0.499 446 c N 0.686 119.370 118.600 0.140 0.000 2.419 446 c HA -0.163 4.407 4.570 0.001 0.000 0.281 446 c C 2.617 176.675 174.090 -0.053 0.000 1.336 446 c CA 1.250 57.588 56.329 0.015 0.000 1.770 446 c CB -1.157 41.365 42.510 0.021 0.000 1.929 446 c HN 0.676 nan 8.230 nan 0.000 0.509 447 D N 0.243 120.620 120.400 -0.038 0.000 2.144 447 D HA -0.125 4.516 4.640 0.001 0.000 0.200 447 D C 2.281 178.550 176.300 -0.051 0.000 0.978 447 D CA 1.477 55.456 54.000 -0.034 0.000 0.833 447 D CB -0.039 40.761 40.800 -0.001 0.000 0.961 447 D HN 0.473 nan 8.370 nan 0.000 0.470 448 S N -0.375 115.273 115.700 -0.086 0.000 2.406 448 S HA -0.067 4.404 4.470 0.001 0.000 0.224 448 S C 1.706 176.231 174.600 -0.125 0.000 1.030 448 S CA 0.569 58.708 58.200 -0.101 0.000 0.958 448 S CB 0.012 63.144 63.200 -0.114 0.000 0.811 448 S HN 0.154 nan 8.310 nan 0.000 0.489 449 E N 1.155 121.245 120.200 -0.184 0.000 2.152 449 E HA 0.016 4.367 4.350 0.001 0.000 0.192 449 E C 1.981 178.599 176.600 0.030 0.000 0.983 449 E CA 0.646 56.997 56.400 -0.082 0.000 0.818 449 E CB -0.357 29.320 29.700 -0.039 0.000 0.758 449 E HN 0.579 nan 8.360 nan 0.000 0.467 450 I N 1.630 122.238 120.570 0.065 0.000 2.226 450 I HA -0.274 3.896 4.170 0.001 0.000 0.245 450 I C 1.888 177.974 176.117 -0.051 0.000 1.100 450 I CA 1.120 62.416 61.300 -0.007 0.000 1.374 450 I CB -0.176 37.730 38.000 -0.157 0.000 1.057 450 I HN -0.032 nan 8.210 nan 0.000 0.413 451 D N 1.113 121.496 120.400 -0.029 0.000 2.092 451 D HA -0.197 4.444 4.640 0.001 0.000 0.193 451 D C 2.264 178.537 176.300 -0.045 0.000 0.994 451 D CA 1.794 55.785 54.000 -0.015 0.000 0.828 451 D CB -0.328 40.463 40.800 -0.015 0.000 0.963 451 D HN 0.363 nan 8.370 nan 0.000 0.450 452 A N 1.496 124.275 122.820 -0.068 0.000 1.883 452 A HA -0.207 4.113 4.320 0.001 0.000 0.217 452 A C 2.077 179.588 177.584 -0.121 0.000 1.186 452 A CA 1.519 53.508 52.037 -0.080 0.000 0.624 452 A CB -0.424 18.530 19.000 -0.077 0.000 0.822 452 A HN 0.068 nan 8.150 nan 0.000 0.444 453 E N 0.042 120.116 120.200 -0.210 0.000 2.085 453 E HA -0.160 4.190 4.350 0.001 0.000 0.194 453 E C 2.063 178.535 176.600 -0.214 0.000 0.994 453 E CA 0.988 57.191 56.400 -0.328 0.000 0.801 453 E CB -0.478 28.755 29.700 -0.779 0.000 0.743 453 E HN 0.689 nan 8.360 nan 0.000 0.453 454 L N 0.700 121.838 121.223 -0.142 0.000 2.083 454 L HA -0.189 4.152 4.340 0.001 0.000 0.209 454 L C 2.434 179.272 176.870 -0.054 0.000 1.083 454 L CA 1.236 56.031 54.840 -0.075 0.000 0.752 454 L CB -0.304 41.747 42.059 -0.012 0.000 0.899 454 L HN 0.072 nan 8.230 nan 0.000 0.433 455 K N 0.086 120.456 120.400 -0.050 0.000 2.097 455 K HA -0.135 4.185 4.320 0.001 0.000 0.206 455 K C 1.539 178.114 176.600 -0.042 0.000 1.049 455 K CA 1.564 57.830 56.287 -0.035 0.000 0.933 455 K CB -0.252 32.230 32.500 -0.031 0.000 0.717 455 K HN 0.474 nan 8.250 nan 0.000 0.442 456 N N 0.776 119.439 118.700 -0.061 0.000 2.412 456 N HA -0.028 4.712 4.740 0.001 0.000 0.184 456 N C 1.469 176.943 175.510 -0.060 0.000 1.101 456 N CA -0.187 52.828 53.050 -0.057 0.000 0.881 456 N CB 0.032 38.478 38.487 -0.067 0.000 0.969 456 N HN -0.000 nan 8.380 nan 0.000 0.459 457 I N 1.615 122.143 120.570 -0.070 0.000 2.310 457 I HA -0.351 3.820 4.170 0.001 0.000 0.256 457 I C 0.319 176.409 176.117 -0.045 0.000 1.060 457 I CA 1.569 62.830 61.300 -0.065 0.000 1.362 457 I CB -0.235 37.732 38.000 -0.055 0.000 1.044 457 I HN 0.168 nan 8.210 nan 0.000 0.443 458 L N 0.000 121.202 121.223 -0.035 0.000 2.949 458 L HA 0.000 4.340 4.340 0.001 0.000 0.249 458 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 458 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 458 L HN 0.000 nan 8.230 nan 0.000 0.502