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 3bfv_1_B DATA FIRST_RESID 197 DATA SEQUENCE DKRIKDEEDV EKELGLPVLG SIQKFNXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXMTNTRR STSSLIVHEQ PKSPISEKFR GIRSNIMFAN PDSAVQSIVI DATA SEQUENCE TSEAPGAGKS TIAANLAVAY AQAGYKTLIV DGDMRKPTQH YIFNLPNNEG DATA SEQUENCE LSSLLLNWST YQDSIISTEI EDLDVLTSGP IPPNPSELIT SRAFANLYDT DATA SEQUENCE LLMNYNFVII DTPPVNTVTD AQLFSKFTGN VVYVVNSENN NKDEVKKGKE DATA SEQUENCE LIEATGAKLL GVVLNRMPK 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 197 D HA 0.000 nan 4.640 nan 0.000 0.175 197 D C 0.000 176.298 176.300 -0.003 0.000 2.045 197 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 197 D CB 0.000 40.798 40.800 -0.002 0.000 0.688 198 K N 2.146 122.544 120.400 -0.003 0.000 3.174 198 K HA 0.312 4.633 4.320 0.001 0.000 0.207 198 K C 0.364 176.963 176.600 -0.002 0.000 1.190 198 K CA -0.475 55.812 56.287 -0.001 0.000 1.054 198 K CB 1.089 33.590 32.500 0.002 0.000 1.154 198 K HN -0.014 nan 8.250 nan 0.000 0.495 199 R N 1.161 121.658 120.500 -0.006 0.000 2.438 199 R HA 0.227 4.567 4.340 0.001 0.000 0.287 199 R C 0.241 176.536 176.300 -0.008 0.000 1.077 199 R CA -0.422 55.672 56.100 -0.010 0.000 1.034 199 R CB 0.738 31.029 30.300 -0.015 0.000 0.993 199 R HN 0.120 nan 8.270 nan 0.000 0.459 200 I N 5.243 125.807 120.570 -0.009 0.000 2.421 200 I HA -0.044 4.126 4.170 0.001 0.000 0.291 200 I C 1.416 177.522 176.117 -0.018 0.000 1.089 200 I CA 0.735 62.031 61.300 -0.008 0.000 1.354 200 I CB 0.540 38.537 38.000 -0.006 0.000 1.413 200 I HN 0.745 nan 8.210 nan 0.000 0.513 201 K N 3.854 124.245 120.400 -0.015 0.000 2.412 201 K HA 0.204 4.525 4.320 0.001 0.000 0.202 201 K C -0.462 176.126 176.600 -0.020 0.000 1.102 201 K CA -0.166 56.108 56.287 -0.021 0.000 1.027 201 K CB 0.768 33.257 32.500 -0.018 0.000 0.931 201 K HN 0.601 nan 8.250 nan 0.000 0.557 202 D N -0.253 120.138 120.400 -0.015 0.000 2.768 202 D HA 0.107 4.748 4.640 0.001 0.000 0.327 202 D C 0.188 176.483 176.300 -0.007 0.000 1.302 202 D CA -0.684 53.308 54.000 -0.013 0.000 0.897 202 D CB 0.727 41.520 40.800 -0.011 0.000 1.420 202 D HN -0.194 nan 8.370 nan 0.000 0.494 203 E N -0.013 120.183 120.200 -0.006 0.000 2.085 203 E HA -0.178 4.172 4.350 0.001 0.000 0.194 203 E C 1.549 178.151 176.600 0.005 0.000 0.994 203 E CA 1.857 58.257 56.400 -0.000 0.000 0.801 203 E CB -0.064 29.635 29.700 -0.002 0.000 0.743 203 E HN 0.668 nan 8.360 nan 0.000 0.453 204 E N 0.499 120.700 120.200 0.003 0.000 2.085 204 E HA -0.250 4.101 4.350 0.001 0.000 0.194 204 E C 1.249 177.853 176.600 0.007 0.000 0.994 204 E CA 1.534 57.937 56.400 0.005 0.000 0.801 204 E CB 0.032 29.734 29.700 0.003 0.000 0.743 204 E HN 0.176 nan 8.360 nan 0.000 0.453 205 D N -0.100 120.304 120.400 0.006 0.000 2.117 205 D HA -0.139 4.502 4.640 0.001 0.000 0.197 205 D C 2.074 178.384 176.300 0.016 0.000 0.987 205 D CA 1.084 55.089 54.000 0.009 0.000 0.829 205 D CB -0.216 40.587 40.800 0.004 0.000 0.961 205 D HN 0.121 nan 8.370 nan 0.000 0.460 206 V N 0.842 120.766 119.914 0.017 0.000 2.295 206 V HA -0.239 3.882 4.120 0.001 0.000 0.246 206 V C 2.392 178.505 176.094 0.031 0.000 1.049 206 V CA 1.662 63.980 62.300 0.030 0.000 1.024 206 V CB -0.465 31.376 31.823 0.029 0.000 0.648 206 V HN 0.056 nan 8.190 nan 0.000 0.447 207 E N 0.164 120.377 120.200 0.023 0.000 2.049 207 E HA -0.214 4.136 4.350 0.001 0.000 0.198 207 E C 2.133 178.745 176.600 0.019 0.000 1.007 207 E CA 1.628 58.041 56.400 0.021 0.000 0.809 207 E CB -0.119 29.590 29.700 0.016 0.000 0.749 207 E HN 0.470 nan 8.360 nan 0.000 0.450 208 K N -0.759 119.651 120.400 0.017 0.000 2.374 208 K HA 0.080 4.401 4.320 0.001 0.000 0.202 208 K C 0.798 177.407 176.600 0.016 0.000 1.040 208 K CA 0.005 56.301 56.287 0.015 0.000 1.085 208 K CB 0.687 33.194 32.500 0.011 0.000 0.873 208 K HN -0.054 nan 8.250 nan 0.000 0.539 209 E N 0.006 120.218 120.200 0.020 0.000 2.307 209 E HA 0.082 4.433 4.350 0.001 0.000 0.195 209 E C 1.338 177.956 176.600 0.031 0.000 0.975 209 E CA 0.611 57.025 56.400 0.023 0.000 0.878 209 E CB 0.578 30.291 29.700 0.022 0.000 0.845 209 E HN 0.239 nan 8.360 nan 0.000 0.488 210 L N -0.987 120.258 121.223 0.038 0.000 2.717 210 L HA 0.305 4.646 4.340 0.001 0.000 0.239 210 L C 1.045 177.936 176.870 0.036 0.000 1.086 210 L CA 0.343 55.212 54.840 0.048 0.000 0.897 210 L CB 0.381 42.489 42.059 0.081 0.000 1.214 210 L HN 0.149 nan 8.230 nan 0.000 0.508 211 G N 1.925 110.743 108.800 0.030 0.000 2.273 211 G HA2 -0.266 3.695 3.960 0.001 0.000 0.280 211 G HA3 -0.266 3.695 3.960 0.001 0.000 0.280 211 G C -0.183 174.733 174.900 0.026 0.000 1.047 211 G CA 0.272 45.386 45.100 0.023 0.000 0.869 211 G HN 0.214 nan 8.290 nan 0.000 0.502 212 L N 0.158 121.403 121.223 0.037 0.000 2.341 212 L HA 0.621 4.962 4.340 0.001 0.000 0.267 212 L C -1.869 175.027 176.870 0.042 0.000 1.009 212 L CA -2.607 52.259 54.840 0.044 0.000 0.819 212 L CB 2.467 44.566 42.059 0.067 0.000 1.323 212 L HN -0.062 nan 8.230 nan 0.000 0.425 213 P HA 0.155 nan 4.420 nan 0.000 0.276 213 P C -0.932 176.394 177.300 0.043 0.000 1.244 213 P CA -0.351 62.772 63.100 0.038 0.000 0.801 213 P CB 1.317 33.040 31.700 0.038 0.000 1.006 214 V N 3.344 123.278 119.914 0.032 0.000 2.370 214 V HA 0.117 4.238 4.120 0.001 0.000 0.279 214 V C 1.693 177.802 176.094 0.025 0.000 1.029 214 V CA -0.132 62.184 62.300 0.027 0.000 0.870 214 V CB 0.691 32.521 31.823 0.011 0.000 0.984 214 V HN 0.460 nan 8.190 nan 0.000 0.451 215 L N 4.043 125.285 121.223 0.032 0.000 2.270 215 L HA 0.411 4.751 4.340 0.001 0.000 0.210 215 L C 1.080 177.954 176.870 0.007 0.000 1.104 215 L CA 0.953 55.813 54.840 0.034 0.000 0.804 215 L CB -0.052 42.042 42.059 0.059 0.000 0.937 215 L HN 0.808 nan 8.230 nan 0.000 0.450 216 G N -1.549 107.241 108.800 -0.017 0.000 2.489 216 G HA2 0.419 4.380 3.960 0.001 0.000 0.291 216 G HA3 0.419 4.380 3.960 0.001 0.000 0.291 216 G C -1.568 173.285 174.900 -0.079 0.000 1.487 216 G CA -0.420 44.644 45.100 -0.061 0.000 0.795 216 G HN -0.191 nan 8.290 nan 0.000 0.513 217 S N 0.261 115.901 115.700 -0.099 0.000 2.561 217 S HA 0.644 5.115 4.470 0.001 0.000 0.303 217 S C -0.444 174.078 174.600 -0.130 0.000 1.110 217 S CA -0.643 57.501 58.200 -0.094 0.000 1.034 217 S CB 1.240 64.404 63.200 -0.059 0.000 1.010 217 S HN 0.525 nan 8.310 nan 0.000 0.482 218 I N 3.123 123.612 120.570 -0.136 0.000 2.355 218 I HA 0.307 4.478 4.170 0.001 0.000 0.288 218 I C 0.517 176.593 176.117 -0.068 0.000 0.999 218 I CA -0.555 60.672 61.300 -0.123 0.000 1.163 218 I CB 1.028 38.944 38.000 -0.141 0.000 1.316 218 I HN 0.618 nan 8.210 nan 0.000 0.454 219 Q N 3.754 123.545 119.800 -0.014 0.000 2.421 219 Q HA 0.108 4.449 4.340 0.001 0.000 0.255 219 Q C 0.293 176.258 176.000 -0.058 0.000 1.013 219 Q CA -0.194 55.602 55.803 -0.012 0.000 0.895 219 Q CB 1.222 29.980 28.738 0.034 0.000 1.271 219 Q HN 0.363 nan 8.270 nan 0.000 0.460 220 K N 1.989 122.331 120.400 -0.096 0.000 2.472 220 K HA -0.023 4.298 4.320 0.001 0.000 0.280 220 K C -0.948 175.652 176.600 -0.001 0.000 1.028 220 K CA -0.234 55.958 56.287 -0.158 0.000 1.045 220 K CB 0.282 32.726 32.500 -0.093 0.000 0.902 220 K HN 0.274 nan 8.250 nan 0.000 0.478 221 F N 3.988 123.949 119.950 0.018 0.000 2.608 221 F HA 0.018 4.546 4.527 0.001 0.000 0.380 221 F C 0.835 176.641 175.800 0.010 0.000 1.083 221 F CA -0.170 57.842 58.000 0.021 0.000 1.266 221 F CB -0.242 38.772 39.000 0.024 0.000 1.076 221 F HN 0.654 nan 8.300 nan 0.000 0.574 1002 T N 2.650 117.217 114.554 0.022 0.000 2.814 1002 T HA 0.018 4.369 4.350 0.001 0.000 0.254 1002 T C 1.436 176.149 174.700 0.021 0.000 1.037 1002 T CA 2.145 64.255 62.100 0.017 0.000 1.143 1002 T CB -0.434 68.445 68.868 0.018 0.000 0.866 1002 T HN 0.671 nan 8.240 nan 0.000 0.431 1003 N N 1.996 120.720 118.700 0.040 0.000 2.459 1003 N HA -0.073 4.667 4.740 0.001 0.000 0.181 1003 N C 1.492 177.024 175.510 0.036 0.000 1.046 1003 N CA 1.525 54.606 53.050 0.052 0.000 0.904 1003 N CB -0.836 37.702 38.487 0.086 0.000 0.964 1003 N HN 0.530 nan 8.380 nan 0.000 0.444 1004 T N -3.982 110.575 114.554 0.005 0.000 3.054 1004 T HA 0.278 4.629 4.350 0.001 0.000 0.255 1004 T C 0.320 174.985 174.700 -0.058 0.000 1.035 1004 T CA -0.566 61.495 62.100 -0.066 0.000 0.941 1004 T CB -0.206 68.564 68.868 -0.164 0.000 1.026 1004 T HN 0.154 nan 8.240 nan 0.000 0.533 1005 R N 1.940 122.423 120.500 -0.029 0.000 3.333 1005 R HA -0.153 4.188 4.340 0.001 0.000 0.256 1005 R C -0.338 175.939 176.300 -0.038 0.000 1.010 1005 R CA 0.509 56.592 56.100 -0.028 0.000 0.680 1005 R CB -1.839 28.444 30.300 -0.029 0.000 1.102 1005 R HN 0.562 nan 8.270 nan 0.000 0.440 1006 R N -1.440 119.039 120.500 -0.035 0.000 3.525 1006 R HA -0.167 4.174 4.340 0.001 0.000 0.276 1006 R C 0.057 176.325 176.300 -0.054 0.000 1.116 1006 R CA 1.027 57.106 56.100 -0.035 0.000 0.745 1006 R CB -1.563 28.722 30.300 -0.024 0.000 1.185 1006 R HN 0.438 nan 8.270 nan 0.000 0.454 1007 S N -0.272 115.378 115.700 -0.082 0.000 2.558 1007 S HA -0.018 4.453 4.470 0.001 0.000 0.293 1007 S C 1.583 176.131 174.600 -0.086 0.000 1.292 1007 S CA 0.843 58.980 58.200 -0.104 0.000 1.063 1007 S CB 1.400 64.499 63.200 -0.167 0.000 0.831 1007 S HN 0.363 nan 8.310 nan 0.000 0.499 1008 T N 3.030 117.541 114.554 -0.071 0.000 3.035 1008 T HA 0.089 4.440 4.350 0.001 0.000 0.268 1008 T C 0.692 175.359 174.700 -0.055 0.000 1.109 1008 T CA 1.095 63.164 62.100 -0.052 0.000 1.119 1008 T CB -0.366 68.479 68.868 -0.039 0.000 0.900 1008 T HN 0.801 nan 8.240 nan 0.000 0.503 1009 S N -0.778 114.875 115.700 -0.079 0.000 2.720 1009 S HA 0.470 4.940 4.470 0.001 0.000 0.287 1009 S C 1.069 175.590 174.600 -0.131 0.000 1.168 1009 S CA 0.051 58.200 58.200 -0.084 0.000 0.832 1009 S CB 1.237 64.389 63.200 -0.080 0.000 1.166 1009 S HN 0.164 nan 8.310 nan 0.000 0.493 1010 S N -0.307 115.328 115.700 -0.109 0.000 2.561 1010 S HA 0.095 4.566 4.470 0.001 0.000 0.225 1010 S C 0.686 175.164 174.600 -0.204 0.000 0.977 1010 S CA 0.087 58.214 58.200 -0.122 0.000 0.926 1010 S CB -0.680 62.555 63.200 0.059 0.000 0.769 1010 S HN 0.656 nan 8.310 nan 0.000 0.533 1011 L N 3.055 124.153 121.223 -0.208 0.000 2.583 1011 L HA 0.336 4.676 4.340 0.001 0.000 0.239 1011 L C 0.910 177.673 176.870 -0.179 0.000 1.347 1011 L CA -0.364 54.339 54.840 -0.228 0.000 1.246 1011 L CB -0.743 41.158 42.059 -0.263 0.000 1.496 1011 L HN 0.161 nan 8.230 nan 0.000 0.413 1012 I N 0.284 120.703 120.570 -0.252 0.000 2.208 1012 I HA -0.229 3.942 4.170 0.001 0.000 0.245 1012 I C 2.163 178.207 176.117 -0.122 0.000 1.097 1012 I CA 1.114 62.281 61.300 -0.223 0.000 1.363 1012 I CB -1.090 36.736 38.000 -0.289 0.000 1.051 1012 I HN 0.277 nan 8.210 nan 0.000 0.413 1013 V N 0.721 120.562 119.914 -0.122 0.000 2.407 1013 V HA -0.295 3.826 4.120 0.001 0.000 0.248 1013 V C 2.602 178.706 176.094 0.016 0.000 1.055 1013 V CA 2.201 64.474 62.300 -0.044 0.000 1.049 1013 V CB -1.102 30.672 31.823 -0.083 0.000 0.662 1013 V HN 0.467 nan 8.190 nan 0.000 0.455 1014 H N 0.290 119.315 119.070 -0.075 0.000 2.317 1014 H HA -0.026 4.531 4.556 0.001 0.000 0.304 1014 H C 2.296 177.598 175.328 -0.043 0.000 1.067 1014 H CA 1.651 57.677 56.048 -0.037 0.000 1.352 1014 H CB 0.092 29.838 29.762 -0.026 0.000 1.398 1014 H HN 0.274 nan 8.280 nan 0.000 0.510 1015 E N 0.191 120.286 120.200 -0.174 0.000 2.106 1015 E HA -0.057 4.294 4.350 0.001 0.000 0.192 1015 E C 0.162 176.658 176.600 -0.174 0.000 0.984 1015 E CA 0.801 57.069 56.400 -0.220 0.000 0.806 1015 E CB 0.219 29.849 29.700 -0.118 0.000 0.750 1015 E HN 0.538 nan 8.360 nan 0.000 0.458 1016 Q N 0.101 119.825 119.800 -0.127 0.000 3.064 1016 Q HA 0.180 4.520 4.340 0.001 0.000 0.258 1016 Q C -2.066 173.897 176.000 -0.060 0.000 0.972 1016 Q CA -1.501 54.247 55.803 -0.091 0.000 0.761 1016 Q CB 1.628 30.318 28.738 -0.080 0.000 1.281 1016 Q HN 0.081 nan 8.270 nan 0.000 0.455 1017 P HA -0.109 nan 4.420 nan 0.000 0.225 1017 P C 0.586 177.884 177.300 -0.004 0.000 1.148 1017 P CA 0.893 63.980 63.100 -0.021 0.000 0.779 1017 P CB 0.543 32.229 31.700 -0.022 0.000 0.780 1018 K N 0.021 120.412 120.400 -0.013 0.000 2.374 1018 K HA 0.129 4.450 4.320 0.001 0.000 0.196 1018 K C 1.055 177.655 176.600 0.000 0.000 1.023 1018 K CA 0.135 56.419 56.287 -0.005 0.000 1.103 1018 K CB -0.016 32.478 32.500 -0.011 0.000 0.848 1018 K HN 0.212 nan 8.250 nan 0.000 0.528 1019 S N 1.229 116.929 115.700 -0.001 0.000 2.579 1019 S HA 0.149 4.620 4.470 0.001 0.000 0.275 1019 S C -1.835 172.781 174.600 0.026 0.000 1.345 1019 S CA -0.919 57.283 58.200 0.005 0.000 1.031 1019 S CB 1.209 64.403 63.200 -0.010 0.000 0.892 1019 S HN -0.193 nan 8.310 nan 0.000 0.529 1020 P HA -0.147 nan 4.420 nan 0.000 0.216 1020 P C 1.518 178.851 177.300 0.056 0.000 1.154 1020 P CA 1.032 64.152 63.100 0.034 0.000 0.865 1020 P CB -0.066 31.652 31.700 0.030 0.000 0.789 1021 I N -0.792 119.828 120.570 0.083 0.000 2.226 1021 I HA -0.192 3.979 4.170 0.001 0.000 0.245 1021 I C 2.105 178.363 176.117 0.235 0.000 1.100 1021 I CA 1.798 63.189 61.300 0.151 0.000 1.374 1021 I CB -1.516 36.603 38.000 0.198 0.000 1.057 1021 I HN -0.018 nan 8.210 nan 0.000 0.413 1022 S N 0.536 116.346 115.700 0.183 0.000 2.383 1022 S HA -0.166 4.304 4.470 0.001 0.000 0.229 1022 S C 1.789 176.496 174.600 0.179 0.000 1.030 1022 S CA 1.086 59.408 58.200 0.204 0.000 1.002 1022 S CB -0.176 63.077 63.200 0.088 0.000 0.829 1022 S HN 0.444 nan 8.310 nan 0.000 0.467 1023 E N 1.266 121.526 120.200 0.100 0.000 2.110 1023 E HA -0.101 4.250 4.350 0.001 0.000 0.193 1023 E C 1.997 178.625 176.600 0.048 0.000 0.988 1023 E CA 0.752 57.188 56.400 0.061 0.000 0.804 1023 E CB -0.167 29.551 29.700 0.031 0.000 0.745 1023 E HN 0.349 nan 8.360 nan 0.000 0.458 1024 K N 0.333 120.746 120.400 0.022 0.000 2.063 1024 K HA -0.108 4.213 4.320 0.001 0.000 0.208 1024 K C 2.114 178.647 176.600 -0.112 0.000 1.048 1024 K CA 0.876 57.115 56.287 -0.081 0.000 0.928 1024 K CB -0.658 31.738 32.500 -0.175 0.000 0.713 1024 K HN 0.163 nan 8.250 nan 0.000 0.442 1025 F N 1.346 121.323 119.950 0.044 0.000 2.234 1025 F HA -0.068 4.459 4.527 0.001 0.000 0.299 1025 F C 2.443 178.253 175.800 0.016 0.000 1.087 1025 F CA 1.087 59.117 58.000 0.049 0.000 1.340 1025 F CB -0.200 38.840 39.000 0.067 0.000 1.031 1025 F HN -0.007 nan 8.300 nan 0.000 0.500 1026 R N -0.209 120.389 120.500 0.163 0.000 2.092 1026 R HA -0.083 4.258 4.340 0.001 0.000 0.231 1026 R C 2.582 178.894 176.300 0.020 0.000 1.119 1026 R CA 1.093 57.229 56.100 0.061 0.000 0.970 1026 R CB -1.099 29.228 30.300 0.045 0.000 0.864 1026 R HN 0.384 nan 8.270 nan 0.000 0.440 1027 G N 1.326 110.137 108.800 0.019 0.000 2.418 1027 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 1027 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 1027 G C 1.441 176.348 174.900 0.011 0.000 1.158 1027 G CA 0.614 45.716 45.100 0.004 0.000 0.771 1027 G HN 0.150 nan 8.290 nan 0.000 0.545 1028 I N 0.114 120.692 120.570 0.014 0.000 2.142 1028 I HA -0.181 3.990 4.170 0.001 0.000 0.240 1028 I C 2.826 178.968 176.117 0.041 0.000 1.078 1028 I CA 1.368 62.693 61.300 0.041 0.000 1.343 1028 I CB -0.294 37.745 38.000 0.066 0.000 1.046 1028 I HN 0.108 nan 8.210 nan 0.000 0.405 1029 R N 0.541 121.028 120.500 -0.021 0.000 2.096 1029 R HA -0.244 4.097 4.340 0.001 0.000 0.240 1029 R C 2.502 178.712 176.300 -0.150 0.000 1.139 1029 R CA 2.277 58.213 56.100 -0.273 0.000 0.952 1029 R CB -0.393 29.595 30.300 -0.520 0.000 0.854 1029 R HN 0.263 nan 8.270 nan 0.000 0.436 1030 S N 0.508 116.204 115.700 -0.007 0.000 2.368 1030 S HA -0.152 4.318 4.470 0.001 0.000 0.225 1030 S C 1.832 176.554 174.600 0.203 0.000 1.030 1030 S CA 1.401 59.699 58.200 0.162 0.000 0.999 1030 S CB -0.421 62.819 63.200 0.067 0.000 0.844 1030 S HN 0.472 nan 8.310 nan 0.000 0.459 1031 N N 1.474 120.235 118.700 0.102 0.000 2.043 1031 N HA -0.101 4.640 4.740 0.001 0.000 0.193 1031 N C 1.807 177.372 175.510 0.091 0.000 1.037 1031 N CA 1.971 55.079 53.050 0.096 0.000 0.851 1031 N CB -0.545 37.981 38.487 0.065 0.000 1.027 1031 N HN 0.529 nan 8.380 nan 0.000 0.422 1032 I N 0.673 121.288 120.570 0.074 0.000 2.208 1032 I HA -0.269 3.902 4.170 0.001 0.000 0.245 1032 I C 1.983 178.103 176.117 0.006 0.000 1.097 1032 I CA 0.999 62.344 61.300 0.075 0.000 1.363 1032 I CB -0.149 37.936 38.000 0.142 0.000 1.051 1032 I HN 0.180 nan 8.210 nan 0.000 0.413 1033 M N -1.275 118.277 119.600 -0.080 0.000 2.514 1033 M HA 0.072 4.552 4.480 0.001 0.000 0.258 1033 M C 1.231 177.156 176.300 -0.626 0.000 1.119 1033 M CA 1.404 56.485 55.300 -0.364 0.000 1.111 1033 M CB -0.458 31.829 32.600 -0.522 0.000 1.390 1033 M HN 0.173 nan 8.290 nan 0.000 0.475 1034 F N -1.244 118.724 119.950 0.029 0.000 2.876 1034 F HA 0.384 4.912 4.527 0.001 0.000 0.344 1034 F C 2.084 177.901 175.800 0.028 0.000 1.029 1034 F CA 0.184 58.203 58.000 0.032 0.000 1.154 1034 F CB -0.635 38.379 39.000 0.023 0.000 1.040 1034 F HN 0.010 nan 8.300 nan 0.000 0.576 1035 A N 0.045 122.968 122.820 0.171 0.000 1.972 1035 A HA -0.063 4.257 4.320 0.001 0.000 0.219 1035 A C 0.835 178.470 177.584 0.085 0.000 1.169 1035 A CA 1.115 53.221 52.037 0.114 0.000 0.635 1035 A CB -0.558 18.493 19.000 0.086 0.000 0.810 1035 A HN 0.225 nan 8.150 nan 0.000 0.446 1036 N N 0.511 119.253 118.700 0.069 0.000 2.425 1036 N HA 0.343 5.083 4.740 0.001 0.000 0.268 1036 N C -2.818 172.724 175.510 0.053 0.000 0.991 1036 N CA -1.443 51.639 53.050 0.053 0.000 0.931 1036 N CB 0.941 39.452 38.487 0.040 0.000 1.130 1036 N HN -0.028 nan 8.380 nan 0.000 0.493 1037 P HA 0.102 nan 4.420 nan 0.000 0.262 1037 P C -0.589 176.738 177.300 0.045 0.000 1.647 1037 P CA 0.641 63.776 63.100 0.059 0.000 0.865 1037 P CB -0.183 31.548 31.700 0.052 0.000 1.834 1038 D N -2.376 118.044 120.400 0.034 0.000 3.905 1038 D HA -0.088 4.553 4.640 0.001 0.000 0.096 1038 D C -0.603 175.708 176.300 0.018 0.000 0.469 1038 D CA 0.078 54.092 54.000 0.023 0.000 0.777 1038 D CB -1.396 39.421 40.800 0.028 0.000 1.379 1038 D HN 0.008 nan 8.370 nan 0.000 0.300 1039 S N -0.202 115.505 115.700 0.012 0.000 2.603 1039 S HA 0.753 5.224 4.470 0.001 0.000 0.268 1039 S C 0.402 175.008 174.600 0.010 0.000 1.317 1039 S CA 0.337 58.547 58.200 0.016 0.000 1.012 1039 S CB 1.125 64.338 63.200 0.022 0.000 0.926 1039 S HN 0.628 nan 8.310 nan 0.000 0.539 1040 A N 3.704 126.540 122.820 0.027 0.000 3.297 1040 A HA 0.491 4.812 4.320 0.001 0.000 0.304 1040 A C -0.594 177.028 177.584 0.063 0.000 0.963 1040 A CA -0.497 51.562 52.037 0.037 0.000 0.935 1040 A CB 0.153 19.174 19.000 0.035 0.000 1.093 1040 A HN 0.609 nan 8.150 nan 0.000 0.480 1041 V N 1.969 121.937 119.914 0.090 0.000 2.421 1041 V HA 0.009 4.130 4.120 0.001 0.000 0.271 1041 V C 1.073 177.283 176.094 0.193 0.000 1.031 1041 V CA 0.624 63.010 62.300 0.143 0.000 1.032 1041 V CB 0.456 32.405 31.823 0.210 0.000 1.009 1041 V HN 0.904 nan 8.190 nan 0.000 0.477 1042 Q N 2.784 122.614 119.800 0.050 0.000 2.376 1042 Q HA 0.139 4.480 4.340 0.001 0.000 0.206 1042 Q C 0.590 176.338 176.000 -0.419 0.000 0.921 1042 Q CA 0.645 56.421 55.803 -0.045 0.000 0.911 1042 Q CB 0.801 29.518 28.738 -0.035 0.000 1.032 1042 Q HN 0.890 nan 8.270 nan 0.000 0.510 1043 S N -0.121 115.306 115.700 -0.456 0.000 2.552 1043 S HA 0.641 5.112 4.470 0.001 0.000 0.272 1043 S C -0.977 173.407 174.600 -0.360 0.000 1.150 1043 S CA -1.125 56.703 58.200 -0.621 0.000 0.849 1043 S CB 1.340 64.416 63.200 -0.206 0.000 1.113 1043 S HN 0.280 nan 8.310 nan 0.000 0.458 1044 I N -1.170 119.195 120.570 -0.342 0.000 2.769 1044 I HA 0.840 5.011 4.170 0.001 0.000 0.298 1044 I C -1.313 174.769 176.117 -0.059 0.000 1.128 1044 I CA -1.394 59.850 61.300 -0.093 0.000 1.031 1044 I CB 1.944 39.963 38.000 0.032 0.000 1.235 1044 I HN 0.480 nan 8.210 nan 0.000 0.423 1045 V N 5.399 125.317 119.914 0.006 0.000 2.509 1045 V HA 0.394 4.515 4.120 0.001 0.000 0.284 1045 V C 0.147 176.271 176.094 0.051 0.000 1.047 1045 V CA -0.494 61.813 62.300 0.012 0.000 0.952 1045 V CB 1.620 33.480 31.823 0.062 0.000 0.988 1045 V HN 0.414 nan 8.190 nan 0.000 0.469 1046 I N 4.456 125.051 120.570 0.042 0.000 2.330 1046 I HA 0.483 4.654 4.170 0.001 0.000 0.289 1046 I C 0.221 176.394 176.117 0.093 0.000 1.001 1046 I CA 0.329 61.680 61.300 0.084 0.000 1.193 1046 I CB 1.054 39.102 38.000 0.080 0.000 1.345 1046 I HN 0.659 nan 8.210 nan 0.000 0.461 1047 T N 4.184 118.826 114.554 0.146 0.000 2.696 1047 T HA 0.797 5.147 4.350 0.001 0.000 0.291 1047 T C -0.694 174.117 174.700 0.185 0.000 1.095 1047 T CA -0.281 61.918 62.100 0.165 0.000 1.026 1047 T CB 1.781 70.757 68.868 0.181 0.000 1.390 1047 T HN 0.788 nan 8.240 nan 0.000 0.513 1048 S N -0.114 115.682 115.700 0.161 0.000 2.615 1048 S HA 0.408 4.879 4.470 0.001 0.000 0.269 1048 S C 0.725 175.407 174.600 0.136 0.000 1.161 1048 S CA -0.188 58.007 58.200 -0.009 0.000 0.817 1048 S CB 1.406 64.549 63.200 -0.095 0.000 1.131 1048 S HN 0.831 nan 8.310 nan 0.000 0.467 1049 E N 1.274 121.500 120.200 0.044 0.000 2.107 1049 E HA 0.149 4.500 4.350 0.001 0.000 0.191 1049 E C 0.622 177.258 176.600 0.059 0.000 0.982 1049 E CA 1.260 57.735 56.400 0.125 0.000 0.809 1049 E CB -0.238 29.528 29.700 0.110 0.000 0.756 1049 E HN 0.966 nan 8.360 nan 0.000 0.459 1050 A N 1.009 123.837 122.820 0.013 0.000 2.527 1050 A HA 0.634 4.955 4.320 0.001 0.000 0.293 1050 A C -2.755 174.832 177.584 0.005 0.000 1.117 1050 A CA -1.816 50.227 52.037 0.010 0.000 0.723 1050 A CB 1.359 20.358 19.000 -0.001 0.000 1.313 1050 A HN -0.026 nan 8.150 nan 0.000 0.411 1051 P HA 0.330 nan 4.420 nan 0.000 0.267 1051 P C 0.942 178.241 177.300 -0.001 0.000 1.200 1051 P CA 1.893 65.000 63.100 0.011 0.000 0.772 1051 P CB 0.616 32.325 31.700 0.015 0.000 0.855 1052 G N 1.320 110.120 108.800 0.000 0.000 2.159 1052 G HA2 -0.305 3.655 3.960 0.001 0.000 0.256 1052 G HA3 -0.305 3.655 3.960 0.001 0.000 0.256 1052 G C 1.114 175.998 174.900 -0.027 0.000 0.977 1052 G CA 0.445 45.539 45.100 -0.010 0.000 0.652 1052 G HN 0.699 nan 8.290 nan 0.000 0.531 1053 A N -0.394 122.408 122.820 -0.031 0.000 1.969 1053 A HA 0.474 4.795 4.320 0.001 0.000 0.218 1053 A C 2.643 180.199 177.584 -0.047 0.000 1.169 1053 A CA 2.480 54.484 52.037 -0.055 0.000 0.635 1053 A CB -0.371 18.582 19.000 -0.078 0.000 0.810 1053 A HN 2.505 nan 8.150 nan 0.000 0.445 1054 G N -1.544 107.246 108.800 -0.018 0.000 2.151 1054 G HA2 -0.159 3.802 3.960 0.001 0.000 0.140 1054 G HA3 -0.159 3.802 3.960 0.001 0.000 0.140 1054 G C 0.713 175.641 174.900 0.047 0.000 1.020 1054 G CA 0.505 45.610 45.100 0.008 0.000 0.688 1054 G HN 0.421 nan 8.290 nan 0.000 0.500 1055 K N 0.624 121.047 120.400 0.038 0.000 2.020 1055 K HA -0.091 4.229 4.320 0.001 0.000 0.212 1055 K C 2.604 179.248 176.600 0.073 0.000 1.050 1055 K CA 1.911 58.232 56.287 0.057 0.000 0.929 1055 K CB -0.268 32.261 32.500 0.048 0.000 0.714 1055 K HN 0.296 nan 8.250 nan 0.000 0.443 1056 S N 0.346 116.083 115.700 0.062 0.000 2.368 1056 S HA -0.107 4.363 4.470 0.001 0.000 0.224 1056 S C 2.048 176.688 174.600 0.067 0.000 1.029 1056 S CA 1.653 59.891 58.200 0.063 0.000 0.988 1056 S CB -0.301 62.932 63.200 0.056 0.000 0.838 1056 S HN 0.355 nan 8.310 nan 0.000 0.462 1057 T N 2.224 116.826 114.554 0.079 0.000 2.777 1057 T HA 0.017 4.367 4.350 0.001 0.000 0.266 1057 T C 1.680 176.456 174.700 0.127 0.000 1.040 1057 T CA 0.924 63.084 62.100 0.100 0.000 1.141 1057 T CB -0.292 68.675 68.868 0.166 0.000 0.868 1057 T HN 0.170 nan 8.240 nan 0.000 0.444 1058 I N 1.759 122.451 120.570 0.203 0.000 2.252 1058 I HA -0.014 4.156 4.170 0.001 0.000 0.245 1058 I C 2.700 178.953 176.117 0.226 0.000 1.102 1058 I CA 0.428 61.932 61.300 0.340 0.000 1.385 1058 I CB -1.149 37.040 38.000 0.314 0.000 1.064 1058 I HN 0.168 nan 8.210 nan 0.000 0.414 1059 A N 0.292 123.203 122.820 0.150 0.000 1.883 1059 A HA -0.171 4.150 4.320 0.001 0.000 0.217 1059 A C 2.520 180.175 177.584 0.117 0.000 1.186 1059 A CA 2.180 54.292 52.037 0.126 0.000 0.624 1059 A CB -1.111 17.941 19.000 0.087 0.000 0.822 1059 A HN 0.403 nan 8.150 nan 0.000 0.444 1060 A N 0.018 122.893 122.820 0.091 0.000 1.873 1060 A HA -0.171 4.150 4.320 0.001 0.000 0.215 1060 A C 1.903 179.493 177.584 0.010 0.000 1.186 1060 A CA 1.798 53.914 52.037 0.131 0.000 0.616 1060 A CB -0.781 18.193 19.000 -0.044 0.000 0.823 1060 A HN 0.641 nan 8.150 nan 0.000 0.442 1061 N N -0.479 118.080 118.700 -0.235 0.000 2.166 1061 N HA -0.115 4.626 4.740 0.001 0.000 0.186 1061 N C 1.543 176.828 175.510 -0.374 0.000 1.019 1061 N CA 1.226 53.938 53.050 -0.563 0.000 0.856 1061 N CB -0.227 37.394 38.487 -1.444 0.000 0.993 1061 N HN 0.365 nan 8.380 nan 0.000 0.426 1062 L N 0.951 122.111 121.223 -0.104 0.000 2.046 1062 L HA -0.029 4.312 4.340 0.001 0.000 0.208 1062 L C 2.060 179.113 176.870 0.306 0.000 1.077 1062 L CA 1.388 56.376 54.840 0.246 0.000 0.747 1062 L CB -0.909 41.375 42.059 0.376 0.000 0.896 1062 L HN 0.157 nan 8.230 nan 0.000 0.432 1063 A N -1.231 121.723 122.820 0.222 0.000 1.908 1063 A HA -0.178 4.143 4.320 0.001 0.000 0.218 1063 A C 2.271 179.993 177.584 0.230 0.000 1.181 1063 A CA 2.134 54.303 52.037 0.221 0.000 0.627 1063 A CB -1.122 17.968 19.000 0.150 0.000 0.818 1063 A HN 0.298 nan 8.150 nan 0.000 0.445 1064 V N -0.141 119.883 119.914 0.184 0.000 2.343 1064 V HA -0.255 3.866 4.120 0.001 0.000 0.247 1064 V C 3.062 179.248 176.094 0.153 0.000 1.051 1064 V CA 1.928 64.324 62.300 0.160 0.000 1.036 1064 V CB -1.342 30.553 31.823 0.120 0.000 0.654 1064 V HN 0.632 nan 8.190 nan 0.000 0.451 1065 A N -1.040 121.860 122.820 0.134 0.000 1.908 1065 A HA -0.268 4.053 4.320 0.001 0.000 0.218 1065 A C 2.088 179.737 177.584 0.107 0.000 1.181 1065 A CA 2.127 54.231 52.037 0.112 0.000 0.627 1065 A CB -0.836 18.234 19.000 0.117 0.000 0.818 1065 A HN 0.569 nan 8.150 nan 0.000 0.445 1066 Y N -0.208 120.150 120.300 0.097 0.000 2.145 1066 Y HA -0.153 4.398 4.550 0.002 0.000 0.286 1066 Y C 2.972 179.019 175.900 0.244 0.000 1.145 1066 Y CA 1.415 59.591 58.100 0.127 0.000 1.148 1066 Y CB -0.457 37.996 38.460 -0.013 0.000 0.981 1066 Y HN 0.342 nan 8.280 nan 0.000 0.507 1067 A N -0.194 122.823 122.820 0.329 0.000 1.902 1067 A HA -0.277 4.044 4.320 0.001 0.000 0.217 1067 A C 2.058 179.745 177.584 0.171 0.000 1.181 1067 A CA 1.935 54.113 52.037 0.236 0.000 0.623 1067 A CB -0.741 18.362 19.000 0.172 0.000 0.818 1067 A HN 0.566 nan 8.150 nan 0.000 0.443 1068 Q N -0.864 119.024 119.800 0.148 0.000 2.170 1068 Q HA -0.066 4.275 4.340 0.001 0.000 0.203 1068 Q C 2.197 178.242 176.000 0.075 0.000 0.976 1068 Q CA 1.205 57.069 55.803 0.101 0.000 0.858 1068 Q CB -0.333 28.459 28.738 0.090 0.000 0.907 1068 Q HN 0.692 nan 8.270 nan 0.000 0.433 1069 A N -0.191 122.688 122.820 0.098 0.000 2.168 1069 A HA 0.185 4.506 4.320 0.001 0.000 0.215 1069 A C 1.523 179.074 177.584 -0.056 0.000 1.152 1069 A CA 1.035 53.103 52.037 0.051 0.000 0.716 1069 A CB -0.221 18.860 19.000 0.135 0.000 0.794 1069 A HN 0.484 nan 8.150 nan 0.000 0.465 1070 G N -2.855 105.942 108.800 -0.004 0.000 2.163 1070 G HA2 -0.226 3.735 3.960 0.001 0.000 0.213 1070 G HA3 -0.226 3.735 3.960 0.001 0.000 0.213 1070 G C -0.133 174.709 174.900 -0.098 0.000 0.991 1070 G CA -0.028 45.030 45.100 -0.071 0.000 0.653 1070 G HN 0.380 nan 8.290 nan 0.000 0.518 1071 Y N 1.035 121.415 120.300 0.134 0.000 2.359 1071 Y HA 0.420 4.971 4.550 0.001 0.000 0.334 1071 Y C 1.089 177.100 175.900 0.185 0.000 1.058 1071 Y CA -0.192 58.018 58.100 0.183 0.000 1.244 1071 Y CB 0.904 39.535 38.460 0.286 0.000 1.187 1071 Y HN 0.096 nan 8.280 nan 0.000 0.510 1072 K N 3.263 123.842 120.400 0.300 0.000 2.382 1072 K HA 0.129 4.449 4.320 0.001 0.000 0.286 1072 K C -0.831 176.010 176.600 0.402 0.000 1.062 1072 K CA 0.221 56.673 56.287 0.274 0.000 1.000 1072 K CB 0.013 32.610 32.500 0.161 0.000 0.954 1072 K HN 0.683 nan 8.250 nan 0.000 0.470 1073 T N 4.710 119.470 114.554 0.343 0.000 2.856 1073 T HA 0.384 4.735 4.350 0.001 0.000 0.283 1073 T C -1.201 173.483 174.700 -0.027 0.000 1.008 1073 T CA -0.747 61.483 62.100 0.217 0.000 0.997 1073 T CB 1.259 70.256 68.868 0.215 0.000 0.992 1073 T HN 0.463 nan 8.240 nan 0.000 0.454 1074 L N 3.570 124.584 121.223 -0.348 0.000 2.362 1074 L HA 0.725 5.065 4.340 0.001 0.000 0.275 1074 L C -1.028 175.623 176.870 -0.366 0.000 0.998 1074 L CA -0.849 53.629 54.840 -0.603 0.000 0.820 1074 L CB 1.273 42.576 42.059 -1.260 0.000 1.270 1074 L HN 0.751 nan 8.230 nan 0.000 0.415 1075 I N 5.550 125.937 120.570 -0.305 0.000 2.336 1075 I HA 0.515 4.686 4.170 0.001 0.000 0.292 1075 I C -1.115 174.862 176.117 -0.232 0.000 0.991 1075 I CA -0.621 60.544 61.300 -0.223 0.000 1.227 1075 I CB 1.377 39.292 38.000 -0.141 0.000 1.366 1075 I HN 0.416 nan 8.210 nan 0.000 0.466 1076 V N 6.854 126.643 119.914 -0.208 0.000 2.394 1076 V HA 0.210 4.331 4.120 0.001 0.000 0.282 1076 V C -0.100 175.892 176.094 -0.169 0.000 1.031 1076 V CA -0.565 61.620 62.300 -0.190 0.000 0.881 1076 V CB 1.358 33.067 31.823 -0.189 0.000 0.982 1076 V HN 0.629 nan 8.190 nan 0.000 0.451 1077 D N 4.238 124.566 120.400 -0.120 0.000 2.470 1077 D HA 0.184 4.825 4.640 0.001 0.000 0.226 1077 D C 1.117 177.354 176.300 -0.104 0.000 1.196 1077 D CA 0.122 54.074 54.000 -0.081 0.000 0.979 1077 D CB 1.053 41.842 40.800 -0.018 0.000 1.059 1077 D HN 0.694 nan 8.370 nan 0.000 0.515 1078 G N 2.391 111.072 108.800 -0.198 0.000 3.181 1078 G HA2 -0.093 3.867 3.960 0.001 0.000 0.219 1078 G HA3 -0.093 3.867 3.960 0.001 0.000 0.219 1078 G C 0.562 175.476 174.900 0.024 0.000 1.182 1078 G CA -0.294 44.678 45.100 -0.213 0.000 0.791 1078 G HN 0.326 nan 8.290 nan 0.000 0.537 1079 D N 0.785 121.187 120.400 0.004 0.000 2.468 1079 D HA 0.245 4.886 4.640 0.001 0.000 0.218 1079 D C 1.170 177.489 176.300 0.030 0.000 1.155 1079 D CA -0.377 53.649 54.000 0.043 0.000 0.924 1079 D CB 0.345 41.169 40.800 0.039 0.000 1.029 1079 D HN 0.083 nan 8.370 nan 0.000 0.515 1080 M N 2.362 121.981 119.600 0.031 0.000 2.530 1080 M HA 0.155 4.636 4.480 0.001 0.000 0.231 1080 M C 1.404 177.706 176.300 0.003 0.000 1.180 1080 M CA 0.106 55.408 55.300 0.003 0.000 0.985 1080 M CB 0.568 33.160 32.600 -0.013 0.000 1.623 1080 M HN 0.129 nan 8.290 nan 0.000 0.475 1081 R N 0.206 120.717 120.500 0.018 0.000 2.144 1081 R HA 0.192 4.533 4.340 0.001 0.000 0.195 1081 R C 0.393 176.713 176.300 0.034 0.000 1.077 1081 R CA 0.466 56.578 56.100 0.021 0.000 1.120 1081 R CB 0.553 30.866 30.300 0.021 0.000 1.060 1081 R HN 0.111 nan 8.270 nan 0.000 0.520 1082 K N 1.726 122.153 120.400 0.045 0.000 3.084 1082 K HA 0.283 4.604 4.320 0.001 0.000 0.172 1082 K C -2.630 174.015 176.600 0.075 0.000 1.078 1082 K CA -1.361 54.965 56.287 0.065 0.000 0.875 1082 K CB 1.832 34.371 32.500 0.064 0.000 1.064 1082 K HN 0.055 nan 8.250 nan 0.000 0.597 1083 P HA 0.003 nan 4.420 nan 0.000 0.271 1083 P C 0.330 177.680 177.300 0.083 0.000 1.218 1083 P CA 0.215 63.367 63.100 0.087 0.000 0.780 1083 P CB 1.219 32.966 31.700 0.080 0.000 0.901 1084 T N -2.859 111.712 114.554 0.027 0.000 3.130 1084 T HA 0.036 4.387 4.350 0.001 0.000 0.288 1084 T C 1.290 175.927 174.700 -0.106 0.000 0.936 1084 T CA -0.253 61.791 62.100 -0.093 0.000 0.897 1084 T CB -0.194 68.732 68.868 0.097 0.000 1.178 1084 T HN 0.072 nan 8.240 nan 0.000 0.543 1085 Q N 1.864 121.688 119.800 0.040 0.000 2.170 1085 Q HA -0.129 4.212 4.340 0.001 0.000 0.203 1085 Q C 2.206 178.313 176.000 0.179 0.000 0.976 1085 Q CA 1.932 57.829 55.803 0.157 0.000 0.858 1085 Q CB -0.519 28.328 28.738 0.182 0.000 0.907 1085 Q HN 0.907 nan 8.270 nan 0.000 0.433 1086 H N -1.623 117.444 119.070 -0.005 0.000 2.423 1086 H HA -0.097 4.460 4.556 0.001 0.000 0.297 1086 H C 1.333 176.695 175.328 0.056 0.000 1.075 1086 H CA 1.020 57.059 56.048 -0.015 0.000 1.342 1086 H CB -0.627 29.055 29.762 -0.134 0.000 1.395 1086 H HN 0.183 nan 8.280 nan 0.000 0.530 1087 Y N 1.207 121.210 120.300 -0.494 0.000 2.163 1087 Y HA -0.015 4.535 4.550 0.001 0.000 0.288 1087 Y C 3.022 178.829 175.900 -0.155 0.000 1.136 1087 Y CA 0.416 58.337 58.100 -0.299 0.000 1.147 1087 Y CB -0.608 37.653 38.460 -0.332 0.000 0.987 1087 Y HN 0.110 nan 8.280 nan 0.000 0.509 1088 I N -1.511 119.061 120.570 0.004 0.000 2.226 1088 I HA -0.310 3.860 4.170 0.001 0.000 0.245 1088 I C 1.410 177.341 176.117 -0.310 0.000 1.100 1088 I CA 1.588 62.778 61.300 -0.184 0.000 1.374 1088 I CB -0.410 37.413 38.000 -0.296 0.000 1.057 1088 I HN 0.039 nan 8.210 nan 0.000 0.413 1089 F N 0.307 120.252 119.950 -0.009 0.000 2.765 1089 F HA 0.148 4.676 4.527 0.001 0.000 0.302 1089 F C 0.918 176.717 175.800 -0.001 0.000 1.111 1089 F CA -0.120 57.866 58.000 -0.023 0.000 1.359 1089 F CB -0.560 38.417 39.000 -0.038 0.000 1.097 1089 F HN 0.085 nan 8.300 nan 0.000 0.577 1090 N N 1.605 120.391 118.700 0.142 0.000 2.714 1090 N HA -0.217 4.524 4.740 0.001 0.000 0.253 1090 N C -1.195 174.393 175.510 0.130 0.000 1.024 1090 N CA 0.394 53.517 53.050 0.122 0.000 0.726 1090 N CB -1.260 37.275 38.487 0.080 0.000 0.908 1090 N HN 0.306 nan 8.380 nan 0.000 0.542 1091 L N -0.124 121.191 121.223 0.154 0.000 2.333 1091 L HA 0.719 5.059 4.340 0.001 0.000 0.269 1091 L C -1.709 175.232 176.870 0.118 0.000 1.010 1091 L CA -2.078 52.834 54.840 0.119 0.000 0.818 1091 L CB 1.443 43.562 42.059 0.100 0.000 1.306 1091 L HN 0.003 nan 8.230 nan 0.000 0.430 1092 P HA 0.144 nan 4.420 nan 0.000 0.272 1092 P C -0.747 176.550 177.300 -0.004 0.000 1.230 1092 P CA -0.222 62.903 63.100 0.043 0.000 0.788 1092 P CB 0.528 32.242 31.700 0.023 0.000 0.949 1093 N N 0.482 119.140 118.700 -0.070 0.000 2.517 1093 N HA 0.126 4.867 4.740 0.001 0.000 0.285 1093 N C 0.038 175.472 175.510 -0.127 0.000 1.528 1093 N CA -0.028 52.914 53.050 -0.179 0.000 0.892 1093 N CB -0.699 37.471 38.487 -0.527 0.000 1.356 1093 N HN 0.223 nan 8.380 nan 0.000 0.495 1094 N N -0.513 118.153 118.700 -0.057 0.000 2.415 1094 N HA 0.076 4.816 4.740 0.001 0.000 0.176 1094 N C -0.478 175.033 175.510 0.002 0.000 1.042 1094 N CA 0.649 53.684 53.050 -0.024 0.000 0.902 1094 N CB 0.541 39.024 38.487 -0.008 0.000 0.986 1094 N HN 0.322 nan 8.380 nan 0.000 0.447 1095 E N -0.996 119.199 120.200 -0.009 0.000 2.312 1095 E HA 0.679 5.029 4.350 0.001 0.000 0.267 1095 E C -0.223 176.360 176.600 -0.029 0.000 0.894 1095 E CA -0.896 55.508 56.400 0.007 0.000 0.773 1095 E CB 2.365 32.073 29.700 0.014 0.000 1.241 1095 E HN 0.162 nan 8.360 nan 0.000 0.432 1096 G N 0.404 109.187 108.800 -0.029 0.000 2.392 1096 G HA2 0.040 4.000 3.960 0.001 0.000 0.260 1096 G HA3 0.040 4.000 3.960 0.001 0.000 0.260 1096 G C -0.270 174.601 174.900 -0.048 0.000 1.226 1096 G CA -0.538 44.528 45.100 -0.056 0.000 0.913 1096 G HN 0.432 nan 8.290 nan 0.000 0.483 1097 L N 1.442 122.634 121.223 -0.051 0.000 2.013 1097 L HA -0.023 4.318 4.340 0.001 0.000 0.212 1097 L C 3.164 180.010 176.870 -0.041 0.000 1.073 1097 L CA 3.750 58.575 54.840 -0.026 0.000 0.753 1097 L CB -0.809 41.243 42.059 -0.012 0.000 0.890 1097 L HN 0.860 nan 8.230 nan 0.000 0.432 1098 S N -1.276 114.384 115.700 -0.067 0.000 2.356 1098 S HA -0.210 4.260 4.470 0.001 0.000 0.223 1098 S C 2.102 176.582 174.600 -0.200 0.000 1.032 1098 S CA 1.475 59.600 58.200 -0.125 0.000 1.005 1098 S CB -1.291 61.843 63.200 -0.109 0.000 0.867 1098 S HN 0.693 nan 8.310 nan 0.000 0.449 1099 S N 2.094 117.730 115.700 -0.107 0.000 2.406 1099 S HA 0.032 4.503 4.470 0.001 0.000 0.228 1099 S C 1.860 176.419 174.600 -0.069 0.000 1.020 1099 S CA 0.841 59.004 58.200 -0.061 0.000 0.965 1099 S CB -0.825 62.468 63.200 0.154 0.000 0.798 1099 S HN 0.405 nan 8.310 nan 0.000 0.488 1100 L N 1.698 122.898 121.223 -0.038 0.000 2.017 1100 L HA 0.162 4.503 4.340 0.001 0.000 0.208 1100 L C 2.230 179.078 176.870 -0.037 0.000 1.073 1100 L CA 1.604 56.439 54.840 -0.009 0.000 0.745 1100 L CB -0.838 41.225 42.059 0.007 0.000 0.894 1100 L HN 0.366 nan 8.230 nan 0.000 0.432 1101 L N -1.111 120.071 121.223 -0.068 0.000 2.201 1101 L HA -0.161 4.180 4.340 0.001 0.000 0.212 1101 L C 2.072 178.843 176.870 -0.165 0.000 1.105 1101 L CA 0.783 55.583 54.840 -0.067 0.000 0.775 1101 L CB -0.361 41.676 42.059 -0.037 0.000 0.913 1101 L HN 0.282 nan 8.230 nan 0.000 0.440 1102 L N -0.356 120.661 121.223 -0.343 0.000 2.611 1102 L HA 0.058 4.399 4.340 0.001 0.000 0.229 1102 L C 0.773 177.411 176.870 -0.388 0.000 1.137 1102 L CA -0.094 54.409 54.840 -0.563 0.000 0.901 1102 L CB -0.371 40.906 42.059 -1.304 0.000 1.098 1102 L HN 0.346 nan 8.230 nan 0.000 0.456 1103 N N -1.067 117.545 118.700 -0.146 0.000 2.708 1103 N HA -0.251 4.490 4.740 0.001 0.000 0.251 1103 N C 0.530 176.159 175.510 0.199 0.000 1.123 1103 N CA 0.716 53.785 53.050 0.031 0.000 0.739 1103 N CB -0.908 37.611 38.487 0.053 0.000 1.113 1103 N HN 0.354 nan 8.380 nan 0.000 0.561 1104 W N 0.063 121.371 121.300 0.015 0.000 2.584 1104 W HA 0.300 4.960 4.660 -0.000 0.000 0.264 1104 W C 1.265 177.789 176.519 0.007 0.000 1.264 1104 W CA 0.826 58.176 57.345 0.008 0.000 1.306 1104 W CB -1.023 28.438 29.460 0.002 0.000 1.110 1104 W HN 0.314 nan 8.180 nan 0.000 0.606 1105 S N -1.094 114.734 115.700 0.214 0.000 2.599 1105 S HA 0.587 5.058 4.470 0.001 0.000 0.287 1105 S C -0.121 174.535 174.600 0.094 0.000 1.105 1105 S CA -0.637 57.639 58.200 0.127 0.000 0.899 1105 S CB 2.347 65.606 63.200 0.098 0.000 1.100 1105 S HN -0.017 nan 8.310 nan 0.000 0.482 1106 T N -0.330 114.273 114.554 0.082 0.000 2.899 1106 T HA 0.310 4.660 4.350 0.001 0.000 0.284 1106 T C 0.846 175.612 174.700 0.109 0.000 1.004 1106 T CA -0.501 61.658 62.100 0.098 0.000 1.043 1106 T CB 0.325 69.248 68.868 0.091 0.000 1.013 1106 T HN 0.702 nan 8.240 nan 0.000 0.518 1107 Y N 2.134 122.444 120.300 0.017 0.000 2.069 1107 Y HA -0.284 4.267 4.550 0.001 0.000 0.278 1107 Y C 2.880 178.790 175.900 0.017 0.000 1.175 1107 Y CA 2.514 60.623 58.100 0.014 0.000 1.134 1107 Y CB -0.270 38.195 38.460 0.008 0.000 0.965 1107 Y HN 0.794 nan 8.280 nan 0.000 0.498 1108 Q N -0.623 119.299 119.800 0.202 0.000 2.224 1108 Q HA -0.177 4.163 4.340 0.001 0.000 0.203 1108 Q C 1.057 177.062 176.000 0.009 0.000 0.970 1108 Q CA 1.842 57.711 55.803 0.110 0.000 0.865 1108 Q CB -0.486 28.334 28.738 0.137 0.000 0.922 1108 Q HN 0.494 nan 8.270 nan 0.000 0.445 1109 D N 0.664 121.071 120.400 0.011 0.000 2.289 1109 D HA 0.046 4.687 4.640 0.001 0.000 0.207 1109 D C 1.458 177.736 176.300 -0.037 0.000 0.966 1109 D CA 0.799 54.797 54.000 -0.004 0.000 0.868 1109 D CB 0.289 41.100 40.800 0.019 0.000 0.943 1109 D HN 0.219 nan 8.370 nan 0.000 0.514 1110 S N -0.092 115.563 115.700 -0.075 0.000 2.439 1110 S HA 0.153 4.624 4.470 0.001 0.000 0.224 1110 S C 1.103 175.615 174.600 -0.147 0.000 1.029 1110 S CA 0.006 58.148 58.200 -0.097 0.000 0.946 1110 S CB 0.760 63.904 63.200 -0.094 0.000 0.797 1110 S HN 0.159 nan 8.310 nan 0.000 0.504 1111 I N 2.277 122.717 120.570 -0.217 0.000 2.365 1111 I HA 0.309 4.480 4.170 0.001 0.000 0.291 1111 I C -0.647 175.393 176.117 -0.127 0.000 1.004 1111 I CA -0.275 60.898 61.300 -0.212 0.000 1.311 1111 I CB 1.082 38.899 38.000 -0.305 0.000 1.401 1111 I HN 0.044 nan 8.210 nan 0.000 0.491 1112 I N 4.938 125.440 120.570 -0.114 0.000 2.354 1112 I HA 0.152 4.323 4.170 0.001 0.000 0.292 1112 I C 0.398 176.468 176.117 -0.078 0.000 0.989 1112 I CA -0.296 60.955 61.300 -0.082 0.000 1.188 1112 I CB 1.782 39.735 38.000 -0.078 0.000 1.342 1112 I HN 0.506 nan 8.210 nan 0.000 0.457 1113 S N 5.214 120.889 115.700 -0.042 0.000 2.416 1113 S HA 0.229 4.700 4.470 0.001 0.000 0.287 1113 S C 0.347 174.925 174.600 -0.037 0.000 1.139 1113 S CA -0.706 57.478 58.200 -0.027 0.000 1.058 1113 S CB 0.119 63.320 63.200 0.002 0.000 0.967 1113 S HN 0.735 nan 8.310 nan 0.000 0.495 1114 T N 1.892 116.406 114.554 -0.065 0.000 2.754 1114 T HA 0.228 4.579 4.350 0.001 0.000 0.286 1114 T C 1.180 175.867 174.700 -0.022 0.000 0.997 1114 T CA -0.054 62.010 62.100 -0.060 0.000 0.982 1114 T CB 0.494 69.291 68.868 -0.118 0.000 1.027 1114 T HN 0.787 nan 8.240 nan 0.000 0.529 1115 E N -0.112 120.082 120.200 -0.010 0.000 2.478 1115 E HA 0.055 4.406 4.350 0.001 0.000 0.198 1115 E C 0.171 176.780 176.600 0.015 0.000 1.046 1115 E CA 0.247 56.654 56.400 0.011 0.000 0.870 1115 E CB -0.345 29.373 29.700 0.030 0.000 0.818 1115 E HN 0.678 nan 8.360 nan 0.000 0.527 1116 I N 2.506 123.064 120.570 -0.019 0.000 2.312 1116 I HA 0.070 4.241 4.170 0.001 0.000 0.291 1116 I C 0.411 176.549 176.117 0.034 0.000 1.031 1116 I CA -0.590 60.714 61.300 0.008 0.000 1.293 1116 I CB 1.086 39.064 38.000 -0.036 0.000 1.403 1116 I HN 0.129 nan 8.210 nan 0.000 0.484 1117 E N 6.109 126.345 120.200 0.059 0.000 2.415 1117 E HA -0.076 4.274 4.350 0.001 0.000 0.262 1117 E C -0.107 176.533 176.600 0.067 0.000 1.038 1117 E CA 0.087 56.519 56.400 0.054 0.000 0.921 1117 E CB 0.453 30.185 29.700 0.053 0.000 0.950 1117 E HN 0.633 nan 8.360 nan 0.000 0.438 1118 D N 0.911 121.354 120.400 0.072 0.000 3.028 1118 D HA -0.220 4.420 4.640 0.001 0.000 0.207 1118 D C -0.696 175.675 176.300 0.119 0.000 1.100 1118 D CA 0.722 54.785 54.000 0.105 0.000 0.995 1118 D CB -0.876 39.995 40.800 0.119 0.000 1.108 1118 D HN 0.226 nan 8.370 nan 0.000 0.421 1119 L N 1.565 122.827 121.223 0.065 0.000 2.319 1119 L HA 0.452 4.793 4.340 0.001 0.000 0.281 1119 L C -0.696 176.136 176.870 -0.062 0.000 1.005 1119 L CA -0.329 54.513 54.840 0.004 0.000 0.828 1119 L CB 1.552 43.595 42.059 -0.027 0.000 1.227 1119 L HN -0.248 nan 8.230 nan 0.000 0.415 1120 D N 3.177 123.532 120.400 -0.075 0.000 2.228 1120 D HA 0.637 5.278 4.640 0.001 0.000 0.247 1120 D C -0.951 175.175 176.300 -0.291 0.000 0.995 1120 D CA -0.061 53.863 54.000 -0.128 0.000 0.903 1120 D CB 2.505 43.311 40.800 0.009 0.000 1.205 1120 D HN 0.253 nan 8.370 nan 0.000 0.459 1121 V N 1.941 121.674 119.914 -0.302 0.000 2.588 1121 V HA 0.298 4.418 4.120 0.001 0.000 0.304 1121 V C -0.788 175.162 176.094 -0.240 0.000 1.042 1121 V CA -0.891 61.202 62.300 -0.345 0.000 0.877 1121 V CB 1.949 33.497 31.823 -0.458 0.000 0.996 1121 V HN 0.309 nan 8.190 nan 0.000 0.425 1122 L N 6.154 127.242 121.223 -0.225 0.000 2.272 1122 L HA 0.581 4.922 4.340 0.001 0.000 0.284 1122 L C 0.766 177.561 176.870 -0.125 0.000 1.045 1122 L CA 0.310 55.046 54.840 -0.173 0.000 0.842 1122 L CB 1.104 43.056 42.059 -0.177 0.000 1.224 1122 L HN 0.915 nan 8.230 nan 0.000 0.430 1123 T N 0.587 115.084 114.554 -0.096 0.000 2.726 1123 T HA 0.156 4.506 4.350 0.001 0.000 0.294 1123 T C 1.423 176.079 174.700 -0.072 0.000 1.013 1123 T CA 0.056 62.120 62.100 -0.061 0.000 0.996 1123 T CB 0.551 69.387 68.868 -0.052 0.000 1.016 1123 T HN 0.712 nan 8.240 nan 0.000 0.529 1124 S N 0.390 116.047 115.700 -0.072 0.000 2.399 1124 S HA 0.276 4.747 4.470 0.001 0.000 0.231 1124 S C 1.537 176.089 174.600 -0.081 0.000 1.022 1124 S CA 0.395 58.553 58.200 -0.071 0.000 0.983 1124 S CB -1.669 61.491 63.200 -0.065 0.000 0.803 1124 S HN 2.139 nan 8.310 nan 0.000 0.480 1125 G N 1.174 109.908 108.800 -0.109 0.000 2.782 1125 G HA2 -0.107 3.853 3.960 0.001 0.000 0.228 1125 G HA3 -0.107 3.853 3.960 0.001 0.000 0.228 1125 G C -3.125 171.727 174.900 -0.082 0.000 1.372 1125 G CA -0.636 44.416 45.100 -0.081 0.000 0.862 1125 G HN 0.468 nan 8.290 nan 0.000 0.547 1126 P HA 0.268 nan 4.420 nan 0.000 0.267 1126 P C 0.572 177.873 177.300 0.002 0.000 1.200 1126 P CA -0.370 62.733 63.100 0.006 0.000 0.772 1126 P CB 0.327 32.085 31.700 0.098 0.000 0.855 1127 I N 4.475 125.045 120.570 0.001 0.000 2.578 1127 I HA 0.063 4.234 4.170 0.001 0.000 0.286 1127 I C -1.494 174.632 176.117 0.016 0.000 1.126 1127 I CA -1.925 59.375 61.300 0.001 0.000 1.380 1127 I CB -0.874 37.131 38.000 0.007 0.000 1.408 1127 I HN 0.259 nan 8.210 nan 0.000 0.532 1128 P HA 0.336 nan 4.420 nan 0.000 0.279 1128 P C -2.050 175.246 177.300 -0.008 0.000 1.252 1128 P CA -1.339 61.750 63.100 -0.018 0.000 0.811 1128 P CB 0.333 31.988 31.700 -0.075 0.000 1.035 1129 P HA -0.072 nan 4.420 nan 0.000 0.219 1129 P C 0.188 177.479 177.300 -0.014 0.000 1.150 1129 P CA 1.391 64.493 63.100 0.004 0.000 0.814 1129 P CB 0.263 31.974 31.700 0.017 0.000 0.787 1130 N N -0.822 117.858 118.700 -0.033 0.000 2.640 1130 N HA 0.210 4.951 4.740 0.001 0.000 0.262 1130 N C -2.324 173.143 175.510 -0.072 0.000 1.174 1130 N CA -2.105 50.918 53.050 -0.045 0.000 0.791 1130 N CB 0.920 39.382 38.487 -0.040 0.000 1.279 1130 N HN -0.275 nan 8.380 nan 0.000 0.535 1131 P HA -0.079 nan 4.420 nan 0.000 0.216 1131 P C 1.050 178.255 177.300 -0.159 0.000 1.150 1131 P CA 1.054 64.088 63.100 -0.109 0.000 0.837 1131 P CB 0.417 32.066 31.700 -0.086 0.000 0.786 1132 S N -0.143 115.475 115.700 -0.136 0.000 2.365 1132 S HA -0.245 4.226 4.470 0.001 0.000 0.225 1132 S C 1.965 176.482 174.600 -0.138 0.000 1.039 1132 S CA 1.501 59.610 58.200 -0.151 0.000 1.033 1132 S CB -0.911 62.227 63.200 -0.104 0.000 0.887 1132 S HN 0.368 nan 8.310 nan 0.000 0.447 1133 E N 0.890 121.028 120.200 -0.102 0.000 2.085 1133 E HA -0.143 4.208 4.350 0.001 0.000 0.194 1133 E C 1.956 178.501 176.600 -0.091 0.000 0.994 1133 E CA 0.929 57.281 56.400 -0.080 0.000 0.801 1133 E CB -0.144 29.517 29.700 -0.063 0.000 0.743 1133 E HN 0.452 nan 8.360 nan 0.000 0.453 1134 L N 0.334 121.483 121.223 -0.124 0.000 2.056 1134 L HA -0.159 4.181 4.340 0.001 0.000 0.207 1134 L C 2.521 179.291 176.870 -0.167 0.000 1.078 1134 L CA 0.863 55.625 54.840 -0.130 0.000 0.749 1134 L CB -0.368 41.601 42.059 -0.150 0.000 0.901 1134 L HN 0.226 nan 8.230 nan 0.000 0.433 1135 I N -0.007 120.376 120.570 -0.312 0.000 2.315 1135 I HA -0.234 3.936 4.170 0.001 0.000 0.248 1135 I C 2.450 178.461 176.117 -0.176 0.000 1.117 1135 I CA 1.804 62.776 61.300 -0.546 0.000 1.404 1135 I CB -0.436 37.065 38.000 -0.832 0.000 1.071 1135 I HN 0.378 nan 8.210 nan 0.000 0.419 1136 T N -1.994 112.515 114.554 -0.075 0.000 3.129 1136 T HA 0.088 4.439 4.350 0.001 0.000 0.251 1136 T C 0.924 175.672 174.700 0.080 0.000 1.117 1136 T CA 0.048 62.175 62.100 0.046 0.000 1.034 1136 T CB -0.575 68.289 68.868 -0.007 0.000 0.968 1136 T HN 0.330 nan 8.240 nan 0.000 0.526 1137 S N 0.704 116.442 115.700 0.062 0.000 2.585 1137 S HA 0.365 4.836 4.470 0.001 0.000 0.273 1137 S C 1.218 175.885 174.600 0.111 0.000 1.339 1137 S CA -0.778 57.460 58.200 0.063 0.000 1.028 1137 S CB 1.444 64.662 63.200 0.030 0.000 0.906 1137 S HN 0.187 nan 8.310 nan 0.000 0.528 1138 R N 1.975 122.520 120.500 0.075 0.000 2.105 1138 R HA -0.040 4.301 4.340 0.001 0.000 0.239 1138 R C 2.421 178.761 176.300 0.067 0.000 1.135 1138 R CA 1.940 58.084 56.100 0.074 0.000 0.967 1138 R CB -1.644 28.682 30.300 0.044 0.000 0.861 1138 R HN 0.891 nan 8.270 nan 0.000 0.442 1139 A N -0.388 122.466 122.820 0.058 0.000 1.892 1139 A HA -0.219 4.102 4.320 0.001 0.000 0.218 1139 A C 2.171 179.794 177.584 0.065 0.000 1.188 1139 A CA 1.735 53.801 52.037 0.049 0.000 0.631 1139 A CB -0.900 18.121 19.000 0.035 0.000 0.822 1139 A HN 0.472 nan 8.150 nan 0.000 0.447 1140 F N 0.654 120.585 119.950 -0.032 0.000 2.128 1140 F HA 0.070 4.597 4.527 0.001 0.000 0.295 1140 F C 2.560 178.318 175.800 -0.071 0.000 1.100 1140 F CA 0.998 58.951 58.000 -0.078 0.000 1.260 1140 F CB -0.596 38.304 39.000 -0.167 0.000 1.009 1140 F HN 0.249 nan 8.300 nan 0.000 0.476 1141 A N 0.672 123.458 122.820 -0.057 0.000 1.917 1141 A HA -0.261 4.060 4.320 0.001 0.000 0.219 1141 A C 2.058 179.623 177.584 -0.032 0.000 1.182 1141 A CA 2.161 54.233 52.037 0.058 0.000 0.633 1141 A CB -0.982 18.187 19.000 0.281 0.000 0.819 1141 A HN 0.531 nan 8.150 nan 0.000 0.448 1142 N N -0.442 118.235 118.700 -0.038 0.000 2.216 1142 N HA -0.095 4.645 4.740 0.001 0.000 0.183 1142 N C 1.591 177.047 175.510 -0.089 0.000 1.017 1142 N CA 1.353 54.380 53.050 -0.039 0.000 0.861 1142 N CB -0.583 37.895 38.487 -0.016 0.000 0.986 1142 N HN 0.429 nan 8.380 nan 0.000 0.428 1143 L N 0.374 121.514 121.223 -0.138 0.000 2.017 1143 L HA -0.154 4.187 4.340 0.001 0.000 0.208 1143 L C 2.190 178.937 176.870 -0.205 0.000 1.073 1143 L CA 1.567 56.331 54.840 -0.126 0.000 0.745 1143 L CB -1.054 40.950 42.059 -0.093 0.000 0.894 1143 L HN 0.144 nan 8.230 nan 0.000 0.432 1144 Y N 0.527 120.482 120.300 -0.576 0.000 2.165 1144 Y HA -0.286 4.265 4.550 0.001 0.000 0.286 1144 Y C 2.233 178.012 175.900 -0.202 0.000 1.155 1144 Y CA 2.137 59.932 58.100 -0.509 0.000 1.164 1144 Y CB -0.407 37.589 38.460 -0.774 0.000 0.978 1144 Y HN 0.347 nan 8.280 nan 0.000 0.513 1145 D N -0.834 119.483 120.400 -0.137 0.000 2.123 1145 D HA -0.169 4.472 4.640 0.001 0.000 0.196 1145 D C 2.146 178.347 176.300 -0.165 0.000 0.992 1145 D CA 2.045 55.967 54.000 -0.131 0.000 0.833 1145 D CB -0.564 40.221 40.800 -0.026 0.000 0.954 1145 D HN 0.373 nan 8.370 nan 0.000 0.455 1146 T N 1.079 115.552 114.554 -0.135 0.000 2.746 1146 T HA -0.063 4.288 4.350 0.001 0.000 0.267 1146 T C 2.206 176.869 174.700 -0.062 0.000 1.039 1146 T CA 0.572 62.603 62.100 -0.115 0.000 1.142 1146 T CB -0.219 68.571 68.868 -0.131 0.000 0.866 1146 T HN 0.134 nan 8.240 nan 0.000 0.444 1147 L N 0.499 121.687 121.223 -0.058 0.000 2.056 1147 L HA -0.016 4.324 4.340 0.001 0.000 0.207 1147 L C 2.510 179.366 176.870 -0.023 0.000 1.078 1147 L CA 1.056 55.926 54.840 0.050 0.000 0.749 1147 L CB -0.719 41.299 42.059 -0.069 0.000 0.901 1147 L HN 0.243 nan 8.230 nan 0.000 0.433 1148 L N -0.756 120.311 121.223 -0.260 0.000 2.127 1148 L HA -0.237 4.104 4.340 0.001 0.000 0.211 1148 L C 2.547 179.359 176.870 -0.097 0.000 1.089 1148 L CA 1.449 56.152 54.840 -0.228 0.000 0.757 1148 L CB -0.358 41.502 42.059 -0.331 0.000 0.899 1148 L HN 0.385 nan 8.230 nan 0.000 0.434 1149 M N -1.091 118.454 119.600 -0.093 0.000 2.447 1149 M HA -0.054 4.427 4.480 0.001 0.000 0.264 1149 M C 1.280 177.528 176.300 -0.085 0.000 1.095 1149 M CA 0.880 56.135 55.300 -0.076 0.000 1.125 1149 M CB -0.084 32.465 32.600 -0.085 0.000 1.389 1149 M HN 0.208 nan 8.290 nan 0.000 0.459 1150 N N -0.849 117.796 118.700 -0.093 0.000 2.356 1150 N HA 0.099 4.839 4.740 0.001 0.000 0.178 1150 N C -0.709 174.516 175.510 -0.475 0.000 1.075 1150 N CA 0.569 53.466 53.050 -0.254 0.000 0.889 1150 N CB 0.546 38.881 38.487 -0.254 0.000 0.999 1150 N HN 0.203 nan 8.380 nan 0.000 0.464 1151 Y N -0.084 120.207 120.300 -0.015 0.000 2.462 1151 Y HA 0.326 4.877 4.550 0.001 0.000 0.346 1151 Y C 1.005 176.927 175.900 0.037 0.000 0.976 1151 Y CA -0.966 57.141 58.100 0.011 0.000 1.044 1151 Y CB 1.386 39.835 38.460 -0.019 0.000 1.230 1151 Y HN -0.145 nan 8.280 nan 0.000 0.455 1152 N N 1.258 120.115 118.700 0.262 0.000 2.244 1152 N HA -0.075 4.665 4.740 0.001 0.000 0.183 1152 N C -0.879 174.834 175.510 0.338 0.000 1.016 1152 N CA 0.977 54.203 53.050 0.293 0.000 0.866 1152 N CB 0.277 39.004 38.487 0.401 0.000 0.980 1152 N HN 0.349 nan 8.380 nan 0.000 0.430 1153 F N 0.125 120.121 119.950 0.078 0.000 2.615 1153 F HA 0.415 4.943 4.527 0.002 0.000 0.312 1153 F C -1.507 174.197 175.800 -0.161 0.000 1.119 1153 F CA -0.933 56.994 58.000 -0.122 0.000 0.979 1153 F CB 1.397 40.181 39.000 -0.359 0.000 1.266 1153 F HN -0.416 nan 8.300 nan 0.000 0.444 1154 V N 6.636 126.144 119.914 -0.676 0.000 2.487 1154 V HA 0.524 4.645 4.120 0.001 0.000 0.298 1154 V C -0.425 175.331 176.094 -0.564 0.000 1.028 1154 V CA -0.674 61.333 62.300 -0.488 0.000 0.860 1154 V CB 1.862 33.476 31.823 -0.348 0.000 0.991 1154 V HN 0.562 nan 8.190 nan 0.000 0.427 1155 I N 5.648 126.016 120.570 -0.336 0.000 2.389 1155 I HA 0.496 4.667 4.170 0.001 0.000 0.288 1155 I C -0.611 175.393 176.117 -0.187 0.000 0.999 1155 I CA -0.314 60.854 61.300 -0.220 0.000 1.129 1155 I CB 1.763 39.717 38.000 -0.078 0.000 1.288 1155 I HN 0.444 nan 8.210 nan 0.000 0.444 1156 I N 5.094 125.551 120.570 -0.188 0.000 2.328 1156 I HA 0.242 4.413 4.170 0.001 0.000 0.287 1156 I C -0.264 175.724 176.117 -0.215 0.000 1.012 1156 I CA -0.565 60.571 61.300 -0.272 0.000 1.195 1156 I CB 1.160 38.893 38.000 -0.445 0.000 1.350 1156 I HN 0.475 nan 8.210 nan 0.000 0.464 1157 D N 5.116 125.412 120.400 -0.172 0.000 2.341 1157 D HA 0.374 5.015 4.640 0.001 0.000 0.245 1157 D C -0.152 176.075 176.300 -0.123 0.000 1.106 1157 D CA 0.275 54.222 54.000 -0.089 0.000 0.905 1157 D CB 1.147 41.928 40.800 -0.032 0.000 1.202 1157 D HN 0.664 nan 8.370 nan 0.000 0.426 1158 T N -0.082 114.454 114.554 -0.030 0.000 2.865 1158 T HA 0.716 5.067 4.350 0.001 0.000 0.294 1158 T C -2.842 171.897 174.700 0.066 0.000 1.119 1158 T CA -1.861 60.259 62.100 0.034 0.000 1.007 1158 T CB 1.691 70.618 68.868 0.097 0.000 1.225 1158 T HN 0.071 nan 8.240 nan 0.000 0.515 1159 P HA 0.400 nan 4.420 nan 0.000 0.276 1159 P C -2.601 174.743 177.300 0.074 0.000 1.261 1159 P CA -1.604 61.538 63.100 0.069 0.000 0.800 1159 P CB -0.533 31.204 31.700 0.062 0.000 1.066 1160 P HA 0.002 nan 4.420 nan 0.000 0.272 1160 P C 0.717 178.061 177.300 0.074 0.000 1.223 1160 P CA 0.080 63.222 63.100 0.069 0.000 0.784 1160 P CB 0.594 32.323 31.700 0.050 0.000 0.923 1161 V N 1.805 121.778 119.914 0.099 0.000 2.379 1161 V HA -0.176 3.945 4.120 0.001 0.000 0.245 1161 V C 2.089 178.218 176.094 0.058 0.000 1.044 1161 V CA 1.779 64.129 62.300 0.085 0.000 1.036 1161 V CB -1.158 30.733 31.823 0.112 0.000 0.664 1161 V HN 0.537 nan 8.190 nan 0.000 0.453 1162 N N 0.386 119.123 118.700 0.062 0.000 2.453 1162 N HA -0.097 4.644 4.740 0.001 0.000 0.183 1162 N C 1.819 177.346 175.510 0.028 0.000 1.041 1162 N CA 1.738 54.814 53.050 0.043 0.000 0.900 1162 N CB -0.050 38.464 38.487 0.045 0.000 0.961 1162 N HN 0.744 nan 8.380 nan 0.000 0.443 1163 T N -3.154 111.417 114.554 0.028 0.000 3.038 1163 T HA 0.209 4.559 4.350 0.001 0.000 0.244 1163 T C 0.881 175.588 174.700 0.013 0.000 1.016 1163 T CA -0.023 62.088 62.100 0.019 0.000 1.098 1163 T CB -0.107 68.774 68.868 0.020 0.000 0.954 1163 T HN -0.055 nan 8.240 nan 0.000 0.469 1164 V N -0.059 119.864 119.914 0.015 0.000 3.007 1164 V HA 0.741 4.861 4.120 0.001 0.000 0.311 1164 V C 0.751 176.845 176.094 0.000 0.000 1.120 1164 V CA -0.300 62.002 62.300 0.003 0.000 0.980 1164 V CB 1.591 33.414 31.823 0.001 0.000 1.033 1164 V HN 0.272 nan 8.190 nan 0.000 0.429 1165 T N -2.831 111.711 114.554 -0.021 0.000 3.144 1165 T HA 0.081 4.432 4.350 0.001 0.000 0.249 1165 T C 0.742 175.411 174.700 -0.053 0.000 1.089 1165 T CA 0.698 62.780 62.100 -0.030 0.000 0.989 1165 T CB -0.478 68.364 68.868 -0.044 0.000 0.992 1165 T HN 0.742 nan 8.240 nan 0.000 0.540 1166 D N 2.699 123.067 120.400 -0.053 0.000 2.116 1166 D HA -0.071 4.570 4.640 0.001 0.000 0.193 1166 D C 2.333 178.624 176.300 -0.016 0.000 0.998 1166 D CA 1.672 55.605 54.000 -0.110 0.000 0.836 1166 D CB -0.644 40.142 40.800 -0.023 0.000 0.951 1166 D HN 0.592 nan 8.370 nan 0.000 0.449 1167 A N 0.521 123.410 122.820 0.115 0.000 1.902 1167 A HA -0.241 4.080 4.320 0.001 0.000 0.217 1167 A C 2.136 179.797 177.584 0.127 0.000 1.181 1167 A CA 1.614 53.769 52.037 0.196 0.000 0.623 1167 A CB -0.698 18.391 19.000 0.148 0.000 0.818 1167 A HN 0.211 nan 8.150 nan 0.000 0.443 1168 Q N -0.302 119.526 119.800 0.046 0.000 2.112 1168 Q HA -0.162 4.179 4.340 0.001 0.000 0.206 1168 Q C 2.069 178.069 176.000 -0.000 0.000 0.987 1168 Q CA 1.752 57.562 55.803 0.012 0.000 0.858 1168 Q CB -0.406 28.322 28.738 -0.016 0.000 0.905 1168 Q HN 0.708 nan 8.270 nan 0.000 0.420 1169 L N -0.875 120.316 121.223 -0.053 0.000 2.017 1169 L HA -0.168 4.172 4.340 0.001 0.000 0.208 1169 L C 2.165 179.070 176.870 0.057 0.000 1.073 1169 L CA 0.970 55.760 54.840 -0.083 0.000 0.745 1169 L CB -0.490 41.432 42.059 -0.228 0.000 0.894 1169 L HN 0.189 nan 8.230 nan 0.000 0.432 1170 F N 0.422 120.419 119.950 0.079 0.000 2.161 1170 F HA -0.209 4.319 4.527 0.002 0.000 0.300 1170 F C 2.792 178.677 175.800 0.141 0.000 1.089 1170 F CA 1.386 59.456 58.000 0.115 0.000 1.282 1170 F CB -0.915 38.073 39.000 -0.020 0.000 1.010 1170 F HN -0.018 nan 8.300 nan 0.000 0.485 1171 S N -0.276 115.569 115.700 0.241 0.000 2.419 1171 S HA -0.161 4.310 4.470 0.001 0.000 0.233 1171 S C 2.006 176.636 174.600 0.050 0.000 1.016 1171 S CA 0.847 59.119 58.200 0.120 0.000 0.974 1171 S CB -0.210 63.030 63.200 0.066 0.000 0.786 1171 S HN 0.267 nan 8.310 nan 0.000 0.492 1172 K N 0.732 121.132 120.400 0.000 0.000 2.147 1172 K HA -0.027 4.294 4.320 0.001 0.000 0.205 1172 K C 1.534 177.970 176.600 -0.274 0.000 1.049 1172 K CA 1.112 57.298 56.287 -0.170 0.000 0.936 1172 K CB -0.475 31.844 32.500 -0.301 0.000 0.722 1172 K HN 0.434 nan 8.250 nan 0.000 0.446 1173 F N 1.077 120.946 119.950 -0.136 0.000 2.147 1173 F HA -0.138 4.390 4.527 0.001 0.000 0.291 1173 F C 2.861 178.497 175.800 -0.274 0.000 1.093 1173 F CA 1.580 59.364 58.000 -0.361 0.000 1.263 1173 F CB -1.082 37.464 39.000 -0.756 0.000 1.036 1173 F HN 0.085 nan 8.300 nan 0.000 0.481 1174 T N -2.605 111.980 114.554 0.051 0.000 2.857 1174 T HA 0.112 4.463 4.350 0.001 0.000 0.266 1174 T C 2.009 176.765 174.700 0.093 0.000 1.048 1174 T CA 1.003 63.183 62.100 0.133 0.000 1.139 1174 T CB -0.839 68.089 68.868 0.100 0.000 0.874 1174 T HN 0.524 nan 8.240 nan 0.000 0.455 1175 G N 1.660 110.490 108.800 0.050 0.000 2.175 1175 G HA2 -0.238 3.723 3.960 0.001 0.000 0.265 1175 G HA3 -0.238 3.723 3.960 0.001 0.000 0.265 1175 G C -0.050 174.870 174.900 0.035 0.000 0.979 1175 G CA 0.257 45.374 45.100 0.029 0.000 0.663 1175 G HN 0.716 nan 8.290 nan 0.000 0.533 1176 N N -0.825 117.902 118.700 0.045 0.000 2.336 1176 N HA 0.548 5.288 4.740 0.001 0.000 0.290 1176 N C -1.062 174.481 175.510 0.054 0.000 1.058 1176 N CA -0.257 52.823 53.050 0.049 0.000 0.865 1176 N CB 2.674 41.196 38.487 0.059 0.000 1.581 1176 N HN 0.110 nan 8.380 nan 0.000 0.480 1177 V N 1.582 121.531 119.914 0.058 0.000 2.709 1177 V HA 0.461 4.582 4.120 0.001 0.000 0.308 1177 V C -0.218 175.936 176.094 0.100 0.000 1.062 1177 V CA -0.787 61.555 62.300 0.070 0.000 0.901 1177 V CB 2.390 34.238 31.823 0.042 0.000 1.003 1177 V HN 0.318 nan 8.190 nan 0.000 0.425 1178 V N 4.469 124.461 119.914 0.131 0.000 2.398 1178 V HA 0.400 4.521 4.120 0.001 0.000 0.286 1178 V C -1.082 175.145 176.094 0.222 0.000 1.026 1178 V CA -0.664 61.733 62.300 0.162 0.000 0.868 1178 V CB 1.536 33.453 31.823 0.157 0.000 0.982 1178 V HN 0.750 nan 8.190 nan 0.000 0.443 1179 Y N 5.011 125.342 120.300 0.052 0.000 2.342 1179 Y HA 0.586 5.136 4.550 0.001 0.000 0.338 1179 Y C -0.149 175.774 175.900 0.039 0.000 0.965 1179 Y CA -0.983 57.142 58.100 0.042 0.000 1.159 1179 Y CB 1.617 40.097 38.460 0.033 0.000 1.157 1179 Y HN 0.401 nan 8.280 nan 0.000 0.486 1180 V N 6.999 126.837 119.914 -0.127 0.000 2.465 1180 V HA 0.399 4.520 4.120 0.001 0.000 0.279 1180 V C -0.484 175.412 176.094 -0.330 0.000 1.045 1180 V CA -0.731 61.476 62.300 -0.154 0.000 0.938 1180 V CB 1.242 33.034 31.823 -0.052 0.000 0.986 1180 V HN 0.511 nan 8.190 nan 0.000 0.467 1181 V N 4.216 123.987 119.914 -0.238 0.000 2.407 1181 V HA 0.340 4.460 4.120 0.001 0.000 0.291 1181 V C 0.103 176.116 176.094 -0.135 0.000 1.018 1181 V CA -0.841 61.322 62.300 -0.228 0.000 0.842 1181 V CB 1.802 33.510 31.823 -0.191 0.000 0.996 1181 V HN 0.878 nan 8.190 nan 0.000 0.426 1182 N N 3.325 121.952 118.700 -0.120 0.000 2.406 1182 N HA 0.003 4.744 4.740 0.001 0.000 0.269 1182 N C 1.487 176.951 175.510 -0.076 0.000 1.210 1182 N CA 0.665 53.660 53.050 -0.092 0.000 0.966 1182 N CB 1.208 39.648 38.487 -0.080 0.000 1.293 1182 N HN 0.777 nan 8.380 nan 0.000 0.491 1183 S N 2.524 118.181 115.700 -0.072 0.000 2.442 1183 S HA -0.120 4.351 4.470 0.001 0.000 0.236 1183 S C 1.230 175.801 174.600 -0.048 0.000 1.007 1183 S CA 0.887 59.053 58.200 -0.056 0.000 0.965 1183 S CB -0.166 63.003 63.200 -0.053 0.000 0.773 1183 S HN 0.672 nan 8.310 nan 0.000 0.504 1184 E N 1.084 121.251 120.200 -0.054 0.000 2.158 1184 E HA 0.073 4.424 4.350 0.001 0.000 0.191 1184 E C 0.105 176.682 176.600 -0.038 0.000 0.982 1184 E CA 0.531 56.903 56.400 -0.046 0.000 0.823 1184 E CB 0.038 29.706 29.700 -0.053 0.000 0.766 1184 E HN 0.590 nan 8.360 nan 0.000 0.468 1185 N N 0.566 119.241 118.700 -0.041 0.000 2.629 1185 N HA 0.079 4.820 4.740 0.001 0.000 0.277 1185 N C -2.032 173.457 175.510 -0.035 0.000 1.188 1185 N CA -0.452 52.578 53.050 -0.033 0.000 0.835 1185 N CB 0.482 38.951 38.487 -0.031 0.000 1.420 1185 N HN 0.083 nan 8.380 nan 0.000 0.542 1186 N N 0.746 119.429 118.700 -0.029 0.000 2.859 1186 N HA 0.334 5.075 4.740 0.001 0.000 0.250 1186 N C -2.048 173.454 175.510 -0.014 0.000 1.341 1186 N CA -0.976 52.058 53.050 -0.026 0.000 0.881 1186 N CB 1.018 39.481 38.487 -0.040 0.000 1.516 1186 N HN 0.189 nan 8.380 nan 0.000 0.503 1187 N N 0.692 119.389 118.700 -0.006 0.000 2.417 1187 N HA 0.262 5.002 4.740 0.001 0.000 0.274 1187 N C -0.107 175.410 175.510 0.010 0.000 0.987 1187 N CA -0.396 52.655 53.050 0.002 0.000 0.912 1187 N CB 1.481 39.971 38.487 0.005 0.000 1.177 1187 N HN 0.694 nan 8.380 nan 0.000 0.490 1188 K N 1.765 122.172 120.400 0.011 0.000 2.113 1188 K HA -0.150 4.171 4.320 0.001 0.000 0.208 1188 K C 0.510 177.128 176.600 0.030 0.000 1.047 1188 K CA 1.565 57.864 56.287 0.020 0.000 0.928 1188 K CB 0.218 32.727 32.500 0.016 0.000 0.716 1188 K HN 0.580 nan 8.250 nan 0.000 0.446 1189 D N 0.683 121.098 120.400 0.024 0.000 2.144 1189 D HA -0.127 4.514 4.640 0.001 0.000 0.200 1189 D C 1.754 178.075 176.300 0.034 0.000 0.978 1189 D CA 1.075 55.090 54.000 0.026 0.000 0.833 1189 D CB -0.059 40.752 40.800 0.018 0.000 0.961 1189 D HN 0.341 nan 8.370 nan 0.000 0.470 1190 E N 0.572 120.792 120.200 0.034 0.000 2.077 1190 E HA -0.100 4.251 4.350 0.001 0.000 0.193 1190 E C 2.367 179.012 176.600 0.075 0.000 0.989 1190 E CA 0.593 57.019 56.400 0.043 0.000 0.800 1190 E CB 0.097 29.816 29.700 0.031 0.000 0.746 1190 E HN 0.081 nan 8.360 nan 0.000 0.452 1191 V N 1.649 121.609 119.914 0.077 0.000 2.343 1191 V HA -0.250 3.871 4.120 0.001 0.000 0.247 1191 V C 2.320 178.529 176.094 0.191 0.000 1.051 1191 V CA 1.799 64.182 62.300 0.138 0.000 1.036 1191 V CB -0.416 31.452 31.823 0.075 0.000 0.654 1191 V HN 0.115 nan 8.190 nan 0.000 0.451 1192 K N 1.197 121.662 120.400 0.108 0.000 2.057 1192 K HA -0.212 4.109 4.320 0.001 0.000 0.207 1192 K C 2.054 178.684 176.600 0.051 0.000 1.049 1192 K CA 1.781 58.113 56.287 0.076 0.000 0.931 1192 K CB -0.438 32.089 32.500 0.045 0.000 0.714 1192 K HN 0.304 nan 8.250 nan 0.000 0.440 1193 K N -0.137 120.294 120.400 0.051 0.000 2.057 1193 K HA -0.031 4.290 4.320 0.001 0.000 0.207 1193 K C 1.988 178.604 176.600 0.026 0.000 1.049 1193 K CA 1.991 58.296 56.287 0.031 0.000 0.931 1193 K CB -1.055 31.464 32.500 0.031 0.000 0.714 1193 K HN 0.252 nan 8.250 nan 0.000 0.440 1194 G N 1.057 109.904 108.800 0.077 0.000 2.440 1194 G HA2 -0.319 3.642 3.960 0.001 0.000 0.218 1194 G HA3 -0.319 3.642 3.960 0.001 0.000 0.218 1194 G C 1.529 176.348 174.900 -0.135 0.000 1.154 1194 G CA 1.072 46.218 45.100 0.076 0.000 0.767 1194 G HN 0.412 nan 8.290 nan 0.000 0.552 1195 K N 0.630 120.905 120.400 -0.208 0.000 2.032 1195 K HA -0.155 4.166 4.320 0.001 0.000 0.209 1195 K C 2.395 178.875 176.600 -0.199 0.000 1.048 1195 K CA 1.763 57.825 56.287 -0.375 0.000 0.927 1195 K CB -0.258 32.132 32.500 -0.184 0.000 0.712 1195 K HN 0.434 nan 8.250 nan 0.000 0.441 1196 E N 0.634 120.775 120.200 -0.098 0.000 2.110 1196 E HA -0.175 4.176 4.350 0.001 0.000 0.193 1196 E C 2.179 178.740 176.600 -0.064 0.000 0.988 1196 E CA 1.184 57.546 56.400 -0.064 0.000 0.804 1196 E CB -0.089 29.592 29.700 -0.033 0.000 0.745 1196 E HN 0.295 nan 8.360 nan 0.000 0.458 1197 L N 0.563 121.749 121.223 -0.061 0.000 2.046 1197 L HA -0.201 4.139 4.340 0.001 0.000 0.208 1197 L C 2.423 179.254 176.870 -0.065 0.000 1.077 1197 L CA 0.983 55.793 54.840 -0.049 0.000 0.747 1197 L CB -0.345 41.697 42.059 -0.028 0.000 0.896 1197 L HN 0.161 nan 8.230 nan 0.000 0.432 1198 I N -0.369 120.138 120.570 -0.106 0.000 2.179 1198 I HA -0.279 3.892 4.170 0.001 0.000 0.242 1198 I C 2.454 178.519 176.117 -0.087 0.000 1.088 1198 I CA 1.405 62.639 61.300 -0.109 0.000 1.357 1198 I CB -0.272 37.610 38.000 -0.197 0.000 1.051 1198 I HN 0.256 nan 8.210 nan 0.000 0.409 1199 E N 0.746 120.888 120.200 -0.096 0.000 2.150 1199 E HA -0.176 4.175 4.350 0.001 0.000 0.193 1199 E C 2.235 178.805 176.600 -0.050 0.000 0.985 1199 E CA 1.060 57.419 56.400 -0.068 0.000 0.814 1199 E CB -0.157 29.503 29.700 -0.066 0.000 0.752 1199 E HN 0.510 nan 8.360 nan 0.000 0.466 1200 A N 1.255 124.046 122.820 -0.049 0.000 2.172 1200 A HA -0.137 4.184 4.320 0.001 0.000 0.216 1200 A C 2.302 179.861 177.584 -0.042 0.000 1.154 1200 A CA 1.649 53.662 52.037 -0.041 0.000 0.701 1200 A CB -0.762 18.215 19.000 -0.037 0.000 0.789 1200 A HN 0.363 nan 8.150 nan 0.000 0.465 1201 T N -4.606 109.921 114.554 -0.045 0.000 3.055 1201 T HA 0.330 4.680 4.350 0.001 0.000 0.265 1201 T C 1.565 176.236 174.700 -0.049 0.000 1.111 1201 T CA 1.224 63.295 62.100 -0.047 0.000 1.118 1201 T CB -0.142 68.701 68.868 -0.041 0.000 0.909 1201 T HN 1.614 nan 8.240 nan 0.000 0.501 1202 G N 1.123 109.898 108.800 -0.041 0.000 2.199 1202 G HA2 -0.068 3.892 3.960 0.001 0.000 0.254 1202 G HA3 -0.068 3.892 3.960 0.001 0.000 0.254 1202 G C 0.360 175.242 174.900 -0.029 0.000 0.982 1202 G CA -0.027 45.051 45.100 -0.036 0.000 0.632 1202 G HN 1.210 nan 8.290 nan 0.000 0.529 1203 A N 0.155 122.958 122.820 -0.028 0.000 2.386 1203 A HA 0.585 4.906 4.320 0.001 0.000 0.248 1203 A C 0.658 178.235 177.584 -0.011 0.000 1.082 1203 A CA 0.741 52.769 52.037 -0.014 0.000 0.789 1203 A CB 0.375 19.371 19.000 -0.005 0.000 1.025 1203 A HN 0.591 nan 8.150 nan 0.000 0.490 1204 K N 1.846 122.248 120.400 0.003 0.000 2.312 1204 K HA 0.310 4.630 4.320 0.001 0.000 0.287 1204 K C -0.921 175.685 176.600 0.010 0.000 1.062 1204 K CA -0.172 56.120 56.287 0.008 0.000 0.934 1204 K CB 0.262 32.774 32.500 0.021 0.000 1.027 1204 K HN 0.653 nan 8.250 nan 0.000 0.478 1205 L N 7.488 128.709 121.223 -0.003 0.000 2.334 1205 L HA 0.086 4.427 4.340 0.001 0.000 0.286 1205 L C 1.102 177.991 176.870 0.032 0.000 1.108 1205 L CA -0.271 54.569 54.840 -0.000 0.000 0.875 1205 L CB 0.343 42.373 42.059 -0.048 0.000 1.246 1205 L HN 0.879 nan 8.230 nan 0.000 0.439 1206 L N 4.392 125.648 121.223 0.055 0.000 2.043 1206 L HA -0.046 4.294 4.340 0.001 0.000 0.212 1206 L C 1.183 178.096 176.870 0.071 0.000 1.075 1206 L CA 1.276 56.157 54.840 0.068 0.000 0.752 1206 L CB -0.571 41.542 42.059 0.090 0.000 0.891 1206 L HN 0.806 nan 8.230 nan 0.000 0.432 1207 G N -2.049 106.803 108.800 0.088 0.000 2.327 1207 G HA2 0.298 4.259 3.960 0.001 0.000 0.291 1207 G HA3 0.298 4.259 3.960 0.001 0.000 0.291 1207 G C -1.918 173.059 174.900 0.128 0.000 1.290 1207 G CA -0.682 44.474 45.100 0.093 0.000 0.857 1207 G HN -0.270 nan 8.290 nan 0.000 0.520 1208 V N -0.136 119.844 119.914 0.110 0.000 2.547 1208 V HA 0.626 4.747 4.120 0.001 0.000 0.299 1208 V C 0.005 176.131 176.094 0.053 0.000 1.040 1208 V CA -0.672 61.693 62.300 0.107 0.000 0.913 1208 V CB 1.661 33.539 31.823 0.093 0.000 0.992 1208 V HN 0.685 nan 8.190 nan 0.000 0.449 1209 V N 6.251 126.186 119.914 0.034 0.000 2.328 1209 V HA 0.373 4.493 4.120 0.001 0.000 0.278 1209 V C 0.035 176.107 176.094 -0.037 0.000 1.021 1209 V CA -0.431 61.867 62.300 -0.003 0.000 0.838 1209 V CB 1.281 33.112 31.823 0.014 0.000 0.999 1209 V HN 0.609 nan 8.190 nan 0.000 0.447 1210 L N 4.852 126.046 121.223 -0.047 0.000 2.367 1210 L HA 0.351 4.692 4.340 0.001 0.000 0.275 1210 L C 0.269 177.093 176.870 -0.075 0.000 1.129 1210 L CA 0.308 55.111 54.840 -0.061 0.000 0.839 1210 L CB 0.637 42.666 42.059 -0.049 0.000 1.133 1210 L HN 0.640 nan 8.230 nan 0.000 0.453 1211 N N 2.044 120.694 118.700 -0.083 0.000 2.328 1211 N HA 0.423 5.164 4.740 0.001 0.000 0.299 1211 N C -0.520 174.921 175.510 -0.115 0.000 1.179 1211 N CA -0.686 52.305 53.050 -0.099 0.000 0.793 1211 N CB 1.314 39.749 38.487 -0.087 0.000 1.366 1211 N HN 0.422 nan 8.380 nan 0.000 0.493 1212 R N -0.001 120.403 120.500 -0.160 0.000 3.525 1212 R HA -0.158 4.183 4.340 0.001 0.000 0.276 1212 R C -0.284 175.955 176.300 -0.102 0.000 1.116 1212 R CA 0.446 56.449 56.100 -0.162 0.000 0.745 1212 R CB -1.454 28.756 30.300 -0.149 0.000 1.185 1212 R HN 0.512 nan 8.270 nan 0.000 0.454 1213 M N 0.201 119.751 119.600 -0.084 0.000 2.248 1213 M HA 0.061 4.542 4.480 0.001 0.000 0.337 1213 M C -0.990 175.284 176.300 -0.042 0.000 1.121 1213 M CA -1.842 53.425 55.300 -0.056 0.000 1.155 1213 M CB 0.144 32.715 32.600 -0.048 0.000 1.514 1213 M HN -0.190 nan 8.290 nan 0.000 0.452 1214 P HA -0.070 nan 4.420 nan 0.000 0.216 1214 P C -0.220 177.073 177.300 -0.012 0.000 1.153 1214 P CA 1.453 64.541 63.100 -0.021 0.000 0.848 1214 P CB 0.326 32.016 31.700 -0.018 0.000 0.787 1215 K N 0.000 120.393 120.400 -0.012 0.000 2.780 1215 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1215 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 1215 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 1215 K HN 0.000 nan 8.250 nan 0.000 0.543