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_A 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 0.000 176.299 176.300 -0.002 0.000 2.045 197 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 197 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 198 K N 0.953 121.352 120.400 -0.002 0.000 2.500 198 K HA 0.311 4.630 4.320 -0.001 0.000 0.206 198 K C 0.242 176.842 176.600 -0.001 0.000 1.034 198 K CA -0.053 56.234 56.287 0.000 0.000 1.179 198 K CB 0.894 33.395 32.500 0.002 0.000 0.884 198 K HN -0.056 nan 8.250 nan 0.000 0.493 199 R N 1.315 121.813 120.500 -0.005 0.000 2.490 199 R HA 0.181 4.520 4.340 -0.001 0.000 0.280 199 R C 0.135 176.431 176.300 -0.006 0.000 1.077 199 R CA -0.369 55.726 56.100 -0.009 0.000 1.065 199 R CB 0.672 30.964 30.300 -0.014 0.000 1.003 199 R HN 0.015 nan 8.270 nan 0.000 0.470 200 I N 4.426 124.991 120.570 -0.008 0.000 2.421 200 I HA -0.027 4.142 4.170 -0.001 0.000 0.291 200 I C 1.046 177.154 176.117 -0.016 0.000 1.089 200 I CA 0.711 62.007 61.300 -0.007 0.000 1.354 200 I CB 0.611 38.608 38.000 -0.005 0.000 1.413 200 I HN 0.632 nan 8.210 nan 0.000 0.513 201 K N 3.509 123.902 120.400 -0.013 0.000 2.335 201 K HA 0.070 4.389 4.320 -0.001 0.000 0.195 201 K C -0.199 176.390 176.600 -0.019 0.000 1.058 201 K CA 0.277 56.553 56.287 -0.017 0.000 0.988 201 K CB 0.464 32.956 32.500 -0.013 0.000 0.880 201 K HN 0.755 nan 8.250 nan 0.000 0.513 202 D N -1.607 118.785 120.400 -0.013 0.000 2.779 202 D HA 0.052 4.691 4.640 -0.001 0.000 0.331 202 D C 0.173 176.469 176.300 -0.006 0.000 1.331 202 D CA -0.640 53.352 54.000 -0.012 0.000 0.866 202 D CB 0.286 41.080 40.800 -0.010 0.000 1.409 202 D HN -0.290 nan 8.370 nan 0.000 0.486 203 E N 0.033 120.229 120.200 -0.005 0.000 2.085 203 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 203 E C 1.547 178.150 176.600 0.005 0.000 0.994 203 E CA 1.890 58.290 56.400 0.000 0.000 0.801 203 E CB -0.060 29.639 29.700 -0.001 0.000 0.743 203 E HN 0.640 nan 8.360 nan 0.000 0.453 204 E N 0.411 120.613 120.200 0.003 0.000 2.085 204 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 204 E C 1.275 177.880 176.600 0.008 0.000 0.994 204 E CA 1.458 57.861 56.400 0.005 0.000 0.801 204 E CB 0.035 29.737 29.700 0.003 0.000 0.743 204 E HN 0.181 nan 8.360 nan 0.000 0.453 205 D N -0.157 120.246 120.400 0.006 0.000 2.117 205 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 205 D C 2.039 178.349 176.300 0.017 0.000 0.987 205 D CA 0.978 54.984 54.000 0.009 0.000 0.829 205 D CB -0.173 40.630 40.800 0.005 0.000 0.961 205 D HN 0.109 nan 8.370 nan 0.000 0.460 206 V N 1.175 121.100 119.914 0.018 0.000 2.295 206 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 206 V C 2.326 178.439 176.094 0.032 0.000 1.049 206 V CA 1.656 63.974 62.300 0.031 0.000 1.024 206 V CB -0.460 31.382 31.823 0.031 0.000 0.648 206 V HN 0.201 nan 8.190 nan 0.000 0.447 207 E N 0.036 120.250 120.200 0.024 0.000 2.038 207 E HA -0.246 4.103 4.350 -0.001 0.000 0.195 207 E C 2.342 178.953 176.600 0.019 0.000 1.000 207 E CA 1.450 57.863 56.400 0.021 0.000 0.803 207 E CB -0.163 29.547 29.700 0.016 0.000 0.750 207 E HN 0.549 nan 8.360 nan 0.000 0.448 208 K N 0.102 120.512 120.400 0.016 0.000 2.116 208 K HA -0.073 4.247 4.320 -0.001 0.000 0.203 208 K C 1.959 178.569 176.600 0.016 0.000 1.052 208 K CA 0.803 57.099 56.287 0.014 0.000 0.952 208 K CB 0.209 32.716 32.500 0.011 0.000 0.729 208 K HN 0.008 nan 8.250 nan 0.000 0.446 209 E N 0.224 120.436 120.200 0.020 0.000 2.276 209 E HA 0.040 4.389 4.350 -0.001 0.000 0.193 209 E C 1.776 178.394 176.600 0.030 0.000 0.983 209 E CA 0.648 57.062 56.400 0.023 0.000 0.861 209 E CB 0.400 30.114 29.700 0.023 0.000 0.817 209 E HN 0.249 nan 8.360 nan 0.000 0.485 210 L N -0.922 120.324 121.223 0.038 0.000 2.672 210 L HA 0.309 4.648 4.340 -0.001 0.000 0.236 210 L C 1.106 177.996 176.870 0.033 0.000 1.092 210 L CA 0.319 55.187 54.840 0.047 0.000 0.887 210 L CB 0.321 42.429 42.059 0.081 0.000 1.168 210 L HN 0.138 nan 8.230 nan 0.000 0.502 211 G N 1.839 110.656 108.800 0.028 0.000 2.249 211 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.273 211 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.273 211 G C -0.144 174.771 174.900 0.024 0.000 1.036 211 G CA 0.303 45.416 45.100 0.022 0.000 0.824 211 G HN 0.220 nan 8.290 nan 0.000 0.504 212 L N 0.120 121.364 121.223 0.035 0.000 2.323 212 L HA 0.656 4.996 4.340 -0.001 0.000 0.265 212 L C -1.776 175.118 176.870 0.041 0.000 1.012 212 L CA -2.589 52.276 54.840 0.041 0.000 0.820 212 L CB 2.251 44.348 42.059 0.063 0.000 1.334 212 L HN -0.049 nan 8.230 nan 0.000 0.427 213 P HA 0.179 nan 4.420 nan 0.000 0.276 213 P C -0.963 176.362 177.300 0.043 0.000 1.244 213 P CA -0.383 62.740 63.100 0.037 0.000 0.801 213 P CB 1.401 33.123 31.700 0.037 0.000 1.006 214 V N 3.394 123.327 119.914 0.032 0.000 2.364 214 V HA 0.105 4.224 4.120 -0.001 0.000 0.272 214 V C 1.743 177.852 176.094 0.025 0.000 1.036 214 V CA -0.125 62.191 62.300 0.027 0.000 0.880 214 V CB 0.605 32.435 31.823 0.012 0.000 0.991 214 V HN 0.468 nan 8.190 nan 0.000 0.460 215 L N 4.016 125.259 121.223 0.032 0.000 2.240 215 L HA 0.378 4.717 4.340 -0.001 0.000 0.211 215 L C 1.102 177.977 176.870 0.008 0.000 1.106 215 L CA 1.024 55.885 54.840 0.034 0.000 0.793 215 L CB -0.075 42.019 42.059 0.058 0.000 0.927 215 L HN 0.812 nan 8.230 nan 0.000 0.446 216 G N -1.645 107.146 108.800 -0.015 0.000 2.489 216 G HA2 0.427 4.386 3.960 -0.001 0.000 0.291 216 G HA3 0.427 4.386 3.960 -0.001 0.000 0.291 216 G C -1.580 173.274 174.900 -0.077 0.000 1.487 216 G CA -0.398 44.667 45.100 -0.059 0.000 0.795 216 G HN -0.197 nan 8.290 nan 0.000 0.513 217 S N 0.182 115.823 115.700 -0.099 0.000 2.561 217 S HA 0.621 5.090 4.470 -0.001 0.000 0.303 217 S C -0.507 174.015 174.600 -0.130 0.000 1.110 217 S CA -0.609 57.535 58.200 -0.093 0.000 1.034 217 S CB 1.195 64.360 63.200 -0.059 0.000 1.010 217 S HN 0.512 nan 8.310 nan 0.000 0.482 218 I N 3.250 123.740 120.570 -0.134 0.000 2.355 218 I HA 0.304 4.474 4.170 -0.001 0.000 0.288 218 I C 0.560 176.637 176.117 -0.067 0.000 0.999 218 I CA -0.520 60.707 61.300 -0.123 0.000 1.163 218 I CB 1.024 38.938 38.000 -0.144 0.000 1.316 218 I HN 0.620 nan 8.210 nan 0.000 0.454 219 Q N 3.664 123.455 119.800 -0.015 0.000 2.454 219 Q HA 0.094 4.433 4.340 -0.001 0.000 0.247 219 Q C 0.279 176.250 176.000 -0.048 0.000 1.028 219 Q CA -0.131 55.666 55.803 -0.010 0.000 0.910 219 Q CB 1.180 29.939 28.738 0.036 0.000 1.276 219 Q HN 0.365 nan 8.270 nan 0.000 0.489 220 K N 1.756 122.106 120.400 -0.082 0.000 2.484 220 K HA -0.010 4.309 4.320 -0.001 0.000 0.280 220 K C -0.968 175.645 176.600 0.021 0.000 1.013 220 K CA -0.243 55.962 56.287 -0.138 0.000 1.029 220 K CB 0.310 32.760 32.500 -0.082 0.000 0.902 220 K HN 0.257 nan 8.250 nan 0.000 0.481 221 F N 3.954 123.915 119.950 0.018 0.000 2.578 221 F HA 0.051 4.578 4.527 0.000 0.000 0.376 221 F C 0.793 176.599 175.800 0.010 0.000 1.085 221 F CA -0.214 57.798 58.000 0.020 0.000 1.260 221 F CB -0.188 38.826 39.000 0.023 0.000 1.095 221 F HN 0.677 nan 8.300 nan 0.000 0.573 1002 T N 2.646 117.212 114.554 0.019 0.000 2.814 1002 T HA 0.025 4.375 4.350 -0.001 0.000 0.254 1002 T C 1.429 176.140 174.700 0.018 0.000 1.037 1002 T CA 2.108 64.217 62.100 0.015 0.000 1.143 1002 T CB -0.417 68.461 68.868 0.017 0.000 0.866 1002 T HN 0.670 nan 8.240 nan 0.000 0.431 1003 N N 1.973 120.696 118.700 0.037 0.000 2.459 1003 N HA -0.069 4.671 4.740 -0.001 0.000 0.181 1003 N C 1.503 177.030 175.510 0.028 0.000 1.046 1003 N CA 1.471 54.550 53.050 0.047 0.000 0.904 1003 N CB -0.832 37.704 38.487 0.082 0.000 0.964 1003 N HN 0.525 nan 8.380 nan 0.000 0.444 1004 T N -3.745 110.806 114.554 -0.005 0.000 3.054 1004 T HA 0.265 4.615 4.350 -0.001 0.000 0.255 1004 T C 0.280 174.941 174.700 -0.065 0.000 1.035 1004 T CA -0.576 61.477 62.100 -0.078 0.000 0.941 1004 T CB -0.241 68.516 68.868 -0.185 0.000 1.026 1004 T HN 0.158 nan 8.240 nan 0.000 0.533 1005 R N 2.064 122.544 120.500 -0.033 0.000 3.251 1005 R HA -0.156 4.184 4.340 -0.001 0.000 0.249 1005 R C -0.333 175.942 176.300 -0.041 0.000 0.949 1005 R CA 0.503 56.584 56.100 -0.031 0.000 0.645 1005 R CB -1.842 28.439 30.300 -0.031 0.000 1.065 1005 R HN 0.570 nan 8.270 nan 0.000 0.452 1006 R N -1.739 118.738 120.500 -0.038 0.000 3.516 1006 R HA -0.160 4.180 4.340 -0.001 0.000 0.271 1006 R C -0.390 175.876 176.300 -0.056 0.000 1.098 1006 R CA 1.008 57.086 56.100 -0.038 0.000 0.732 1006 R CB -1.704 28.581 30.300 -0.026 0.000 1.152 1006 R HN 0.375 nan 8.270 nan 0.000 0.455 1007 S N 0.170 115.819 115.700 -0.085 0.000 2.558 1007 S HA -0.015 4.454 4.470 -0.001 0.000 0.293 1007 S C 1.590 176.139 174.600 -0.085 0.000 1.292 1007 S CA 0.204 58.341 58.200 -0.105 0.000 1.063 1007 S CB 1.228 64.327 63.200 -0.169 0.000 0.831 1007 S HN 0.251 nan 8.310 nan 0.000 0.499 1008 T N 2.083 116.595 114.554 -0.070 0.000 2.985 1008 T HA 0.007 4.357 4.350 -0.001 0.000 0.266 1008 T C 1.096 175.763 174.700 -0.054 0.000 1.076 1008 T CA 0.952 63.022 62.100 -0.050 0.000 1.135 1008 T CB -0.023 68.823 68.868 -0.037 0.000 0.890 1008 T HN 0.753 nan 8.240 nan 0.000 0.480 1009 S N 0.436 116.091 115.700 -0.076 0.000 2.745 1009 S HA 0.449 4.919 4.470 -0.001 0.000 0.306 1009 S C 1.212 175.737 174.600 -0.125 0.000 1.137 1009 S CA -0.178 57.974 58.200 -0.081 0.000 0.900 1009 S CB 1.615 64.768 63.200 -0.078 0.000 1.176 1009 S HN 0.133 nan 8.310 nan 0.000 0.520 1010 S N -0.419 115.222 115.700 -0.098 0.000 2.607 1010 S HA 0.100 4.570 4.470 -0.001 0.000 0.224 1010 S C 0.621 175.113 174.600 -0.179 0.000 0.969 1010 S CA -0.008 58.133 58.200 -0.098 0.000 0.927 1010 S CB -0.679 62.570 63.200 0.081 0.000 0.772 1010 S HN 0.604 nan 8.310 nan 0.000 0.533 1011 L N 3.014 124.120 121.223 -0.196 0.000 2.583 1011 L HA 0.349 4.688 4.340 -0.001 0.000 0.239 1011 L C 0.892 177.659 176.870 -0.171 0.000 1.347 1011 L CA -0.382 54.326 54.840 -0.221 0.000 1.246 1011 L CB -0.712 41.189 42.059 -0.263 0.000 1.496 1011 L HN 0.164 nan 8.230 nan 0.000 0.413 1012 I N 0.281 120.706 120.570 -0.241 0.000 2.208 1012 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 1012 I C 2.165 178.211 176.117 -0.119 0.000 1.097 1012 I CA 1.108 62.278 61.300 -0.216 0.000 1.363 1012 I CB -1.047 36.782 38.000 -0.285 0.000 1.051 1012 I HN 0.269 nan 8.210 nan 0.000 0.413 1013 V N 0.697 120.540 119.914 -0.118 0.000 2.407 1013 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 1013 V C 2.596 178.700 176.094 0.015 0.000 1.055 1013 V CA 2.169 64.444 62.300 -0.043 0.000 1.049 1013 V CB -1.096 30.678 31.823 -0.082 0.000 0.662 1013 V HN 0.466 nan 8.190 nan 0.000 0.455 1014 H N 0.358 119.382 119.070 -0.075 0.000 2.317 1014 H HA -0.026 4.529 4.556 -0.001 0.000 0.304 1014 H C 2.288 177.589 175.328 -0.044 0.000 1.067 1014 H CA 1.700 57.724 56.048 -0.039 0.000 1.352 1014 H CB 0.096 29.837 29.762 -0.034 0.000 1.398 1014 H HN 0.292 nan 8.280 nan 0.000 0.510 1015 E N 0.090 120.181 120.200 -0.182 0.000 2.107 1015 E HA -0.043 4.306 4.350 -0.001 0.000 0.191 1015 E C 0.169 176.663 176.600 -0.177 0.000 0.982 1015 E CA 0.716 56.978 56.400 -0.231 0.000 0.809 1015 E CB 0.289 29.919 29.700 -0.118 0.000 0.756 1015 E HN 0.533 nan 8.360 nan 0.000 0.459 1016 Q N 0.158 119.881 119.800 -0.128 0.000 3.122 1016 Q HA 0.177 4.516 4.340 -0.001 0.000 0.282 1016 Q C -2.067 173.897 176.000 -0.061 0.000 0.947 1016 Q CA -1.491 54.257 55.803 -0.092 0.000 0.812 1016 Q CB 1.574 30.263 28.738 -0.082 0.000 1.333 1016 Q HN 0.079 nan 8.270 nan 0.000 0.430 1017 P HA -0.111 nan 4.420 nan 0.000 0.225 1017 P C 0.462 177.759 177.300 -0.004 0.000 1.148 1017 P CA 0.997 64.085 63.100 -0.021 0.000 0.779 1017 P CB 0.473 32.160 31.700 -0.022 0.000 0.780 1018 K N -0.048 120.344 120.400 -0.014 0.000 2.374 1018 K HA 0.111 4.430 4.320 -0.001 0.000 0.196 1018 K C 0.954 177.553 176.600 -0.001 0.000 1.023 1018 K CA -0.076 56.207 56.287 -0.005 0.000 1.103 1018 K CB 0.179 32.672 32.500 -0.011 0.000 0.848 1018 K HN 0.163 nan 8.250 nan 0.000 0.528 1019 S N 0.934 116.632 115.700 -0.003 0.000 2.579 1019 S HA 0.103 4.572 4.470 -0.001 0.000 0.275 1019 S C -1.920 172.694 174.600 0.023 0.000 1.345 1019 S CA -1.139 57.063 58.200 0.002 0.000 1.031 1019 S CB 0.970 64.162 63.200 -0.013 0.000 0.892 1019 S HN -0.183 nan 8.310 nan 0.000 0.529 1020 P HA -0.149 nan 4.420 nan 0.000 0.216 1020 P C 1.518 178.850 177.300 0.053 0.000 1.157 1020 P CA 1.034 64.153 63.100 0.032 0.000 0.880 1020 P CB -0.058 31.658 31.700 0.028 0.000 0.791 1021 I N -0.810 119.807 120.570 0.079 0.000 2.226 1021 I HA -0.192 3.978 4.170 -0.001 0.000 0.245 1021 I C 2.099 178.354 176.117 0.230 0.000 1.100 1021 I CA 1.798 63.185 61.300 0.146 0.000 1.374 1021 I CB -1.482 36.631 38.000 0.188 0.000 1.057 1021 I HN -0.019 nan 8.210 nan 0.000 0.413 1022 S N 0.538 116.347 115.700 0.182 0.000 2.383 1022 S HA -0.194 4.276 4.470 -0.001 0.000 0.229 1022 S C 1.772 176.477 174.600 0.176 0.000 1.030 1022 S CA 1.218 59.540 58.200 0.203 0.000 1.002 1022 S CB -0.254 62.999 63.200 0.088 0.000 0.829 1022 S HN 0.510 nan 8.310 nan 0.000 0.467 1023 E N 0.924 121.182 120.200 0.098 0.000 2.110 1023 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 1023 E C 1.985 178.613 176.600 0.047 0.000 0.988 1023 E CA 0.763 57.199 56.400 0.060 0.000 0.804 1023 E CB -0.093 29.625 29.700 0.030 0.000 0.745 1023 E HN 0.263 nan 8.360 nan 0.000 0.458 1024 K N 0.551 120.962 120.400 0.018 0.000 2.063 1024 K HA -0.124 4.196 4.320 -0.001 0.000 0.208 1024 K C 1.916 178.445 176.600 -0.119 0.000 1.048 1024 K CA 1.125 57.360 56.287 -0.087 0.000 0.928 1024 K CB -0.584 31.806 32.500 -0.184 0.000 0.713 1024 K HN 0.148 nan 8.250 nan 0.000 0.442 1025 F N 1.273 121.250 119.950 0.045 0.000 2.234 1025 F HA -0.050 4.477 4.527 -0.001 0.000 0.299 1025 F C 2.402 178.213 175.800 0.018 0.000 1.087 1025 F CA 1.026 59.056 58.000 0.051 0.000 1.340 1025 F CB -0.196 38.846 39.000 0.069 0.000 1.031 1025 F HN -0.013 nan 8.300 nan 0.000 0.500 1026 R N -0.181 120.421 120.500 0.170 0.000 2.096 1026 R HA -0.096 4.244 4.340 -0.001 0.000 0.235 1026 R C 2.561 178.876 176.300 0.025 0.000 1.127 1026 R CA 1.145 57.285 56.100 0.067 0.000 0.968 1026 R CB -1.092 29.238 30.300 0.050 0.000 0.861 1026 R HN 0.387 nan 8.270 nan 0.000 0.440 1027 G N 1.108 109.922 108.800 0.023 0.000 2.408 1027 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.217 1027 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.217 1027 G C 1.439 176.348 174.900 0.014 0.000 1.150 1027 G CA 0.459 45.564 45.100 0.008 0.000 0.776 1027 G HN 0.150 nan 8.290 nan 0.000 0.542 1028 I N 0.056 120.636 120.570 0.018 0.000 2.179 1028 I HA -0.151 4.019 4.170 -0.001 0.000 0.242 1028 I C 2.818 178.961 176.117 0.044 0.000 1.088 1028 I CA 1.199 62.526 61.300 0.045 0.000 1.357 1028 I CB -0.277 37.767 38.000 0.073 0.000 1.051 1028 I HN 0.107 nan 8.210 nan 0.000 0.409 1029 R N 0.585 121.073 120.500 -0.020 0.000 2.094 1029 R HA -0.236 4.104 4.340 -0.001 0.000 0.239 1029 R C 2.503 178.707 176.300 -0.160 0.000 1.137 1029 R CA 2.253 58.185 56.100 -0.279 0.000 0.943 1029 R CB -0.382 29.609 30.300 -0.514 0.000 0.850 1029 R HN 0.234 nan 8.270 nan 0.000 0.433 1030 S N 0.521 116.216 115.700 -0.008 0.000 2.368 1030 S HA -0.152 4.318 4.470 -0.001 0.000 0.225 1030 S C 1.834 176.553 174.600 0.199 0.000 1.030 1030 S CA 1.390 59.693 58.200 0.171 0.000 0.999 1030 S CB -0.423 62.827 63.200 0.083 0.000 0.844 1030 S HN 0.464 nan 8.310 nan 0.000 0.459 1031 N N 1.355 120.114 118.700 0.098 0.000 2.043 1031 N HA -0.098 4.641 4.740 -0.001 0.000 0.193 1031 N C 1.800 177.360 175.510 0.082 0.000 1.037 1031 N CA 1.900 55.005 53.050 0.091 0.000 0.851 1031 N CB -0.471 38.054 38.487 0.064 0.000 1.027 1031 N HN 0.518 nan 8.380 nan 0.000 0.422 1032 I N 0.613 121.222 120.570 0.065 0.000 2.264 1032 I HA -0.252 3.918 4.170 -0.001 0.000 0.248 1032 I C 1.931 178.042 176.117 -0.010 0.000 1.111 1032 I CA 0.916 62.255 61.300 0.065 0.000 1.382 1032 I CB -0.113 37.967 38.000 0.134 0.000 1.060 1032 I HN 0.170 nan 8.210 nan 0.000 0.418 1033 M N -1.259 118.276 119.600 -0.110 0.000 2.510 1033 M HA 0.090 4.570 4.480 -0.001 0.000 0.256 1033 M C 1.200 177.106 176.300 -0.657 0.000 1.132 1033 M CA 1.360 56.414 55.300 -0.410 0.000 1.105 1033 M CB -0.389 31.847 32.600 -0.607 0.000 1.375 1033 M HN 0.161 nan 8.290 nan 0.000 0.477 1034 F N -1.210 118.756 119.950 0.027 0.000 2.880 1034 F HA 0.396 4.922 4.527 -0.001 0.000 0.346 1034 F C 2.078 177.894 175.800 0.027 0.000 1.054 1034 F CA 0.174 58.192 58.000 0.031 0.000 1.151 1034 F CB -0.637 38.377 39.000 0.023 0.000 1.066 1034 F HN 0.008 nan 8.300 nan 0.000 0.566 1035 A N 0.080 123.000 122.820 0.166 0.000 1.930 1035 A HA -0.051 4.269 4.320 -0.001 0.000 0.217 1035 A C 0.874 178.508 177.584 0.083 0.000 1.175 1035 A CA 1.084 53.187 52.037 0.111 0.000 0.627 1035 A CB -0.517 18.533 19.000 0.084 0.000 0.815 1035 A HN 0.242 nan 8.150 nan 0.000 0.443 1036 N N 1.502 120.241 118.700 0.066 0.000 2.485 1036 N HA 0.299 5.039 4.740 -0.001 0.000 0.243 1036 N C -3.042 172.497 175.510 0.048 0.000 0.987 1036 N CA -1.292 51.789 53.050 0.051 0.000 0.940 1036 N CB 0.953 39.465 38.487 0.040 0.000 1.122 1036 N HN 0.209 nan 8.380 nan 0.000 0.509 1037 P HA -0.006 nan 4.420 nan 0.000 0.265 1037 P C -0.305 177.019 177.300 0.040 0.000 1.187 1037 P CA 0.214 63.348 63.100 0.056 0.000 0.766 1037 P CB 0.279 32.011 31.700 0.054 0.000 0.820 1038 D N -0.485 119.937 120.400 0.037 0.000 2.782 1038 D HA -0.225 4.415 4.640 -0.001 0.000 0.230 1038 D C -0.128 176.186 176.300 0.022 0.000 1.165 1038 D CA 1.007 55.024 54.000 0.028 0.000 0.664 1038 D CB -2.317 38.501 40.800 0.030 0.000 1.056 1038 D HN 0.434 nan 8.370 nan 0.000 0.423 1039 S N -1.533 114.177 115.700 0.016 0.000 2.580 1039 S HA 0.559 5.028 4.470 -0.001 0.000 0.274 1039 S C 0.416 175.022 174.600 0.011 0.000 1.329 1039 S CA -0.412 57.798 58.200 0.017 0.000 1.036 1039 S CB 2.118 65.329 63.200 0.019 0.000 0.919 1039 S HN 0.880 nan 8.310 nan 0.000 0.515 1040 A N 2.935 125.772 122.820 0.028 0.000 3.258 1040 A HA 0.539 4.859 4.320 -0.001 0.000 0.318 1040 A C -0.322 177.300 177.584 0.064 0.000 0.990 1040 A CA -0.710 51.350 52.037 0.038 0.000 0.885 1040 A CB 0.038 19.061 19.000 0.038 0.000 1.090 1040 A HN 0.786 nan 8.150 nan 0.000 0.479 1041 V N 1.939 121.907 119.914 0.089 0.000 2.421 1041 V HA 0.014 4.134 4.120 -0.001 0.000 0.271 1041 V C 1.056 177.267 176.094 0.196 0.000 1.031 1041 V CA 0.620 63.007 62.300 0.144 0.000 1.032 1041 V CB 0.491 32.440 31.823 0.210 0.000 1.009 1041 V HN 0.906 nan 8.190 nan 0.000 0.477 1042 Q N 2.782 122.616 119.800 0.057 0.000 2.373 1042 Q HA 0.148 4.487 4.340 -0.001 0.000 0.210 1042 Q C 0.568 176.320 176.000 -0.414 0.000 0.913 1042 Q CA 0.630 56.410 55.803 -0.039 0.000 0.911 1042 Q CB 0.819 29.537 28.738 -0.034 0.000 1.040 1042 Q HN 0.894 nan 8.270 nan 0.000 0.521 1043 S N -0.089 115.345 115.700 -0.443 0.000 2.567 1043 S HA 0.656 5.125 4.470 -0.001 0.000 0.270 1043 S C -0.969 173.419 174.600 -0.353 0.000 1.152 1043 S CA -1.126 56.703 58.200 -0.617 0.000 0.835 1043 S CB 1.352 64.427 63.200 -0.208 0.000 1.115 1043 S HN 0.279 nan 8.310 nan 0.000 0.459 1044 I N -1.305 119.064 120.570 -0.335 0.000 2.769 1044 I HA 0.830 4.999 4.170 -0.001 0.000 0.298 1044 I C -1.261 174.821 176.117 -0.058 0.000 1.128 1044 I CA -1.418 59.827 61.300 -0.090 0.000 1.031 1044 I CB 1.946 39.966 38.000 0.033 0.000 1.235 1044 I HN 0.471 nan 8.210 nan 0.000 0.423 1045 V N 5.401 125.319 119.914 0.006 0.000 2.465 1045 V HA 0.379 4.498 4.120 -0.001 0.000 0.279 1045 V C 0.151 176.274 176.094 0.047 0.000 1.045 1045 V CA -0.467 61.840 62.300 0.010 0.000 0.938 1045 V CB 1.557 33.416 31.823 0.060 0.000 0.986 1045 V HN 0.409 nan 8.190 nan 0.000 0.467 1046 I N 4.568 125.159 120.570 0.035 0.000 2.330 1046 I HA 0.489 4.658 4.170 -0.001 0.000 0.289 1046 I C 0.233 176.401 176.117 0.085 0.000 1.001 1046 I CA 0.343 61.689 61.300 0.077 0.000 1.193 1046 I CB 1.035 39.079 38.000 0.074 0.000 1.345 1046 I HN 0.656 nan 8.210 nan 0.000 0.461 1047 T N 4.190 118.827 114.554 0.137 0.000 2.778 1047 T HA 0.792 5.141 4.350 -0.001 0.000 0.293 1047 T C -0.668 174.132 174.700 0.168 0.000 1.144 1047 T CA -0.275 61.918 62.100 0.156 0.000 1.010 1047 T CB 1.775 70.749 68.868 0.176 0.000 1.325 1047 T HN 0.792 nan 8.240 nan 0.000 0.515 1048 S N -0.059 115.725 115.700 0.140 0.000 2.643 1048 S HA 0.434 4.903 4.470 -0.001 0.000 0.270 1048 S C 0.710 175.377 174.600 0.110 0.000 1.166 1048 S CA -0.183 57.996 58.200 -0.035 0.000 0.815 1048 S CB 1.412 64.549 63.200 -0.105 0.000 1.139 1048 S HN 0.823 nan 8.310 nan 0.000 0.472 1049 E N 1.266 121.472 120.200 0.011 0.000 2.072 1049 E HA 0.199 4.548 4.350 -0.001 0.000 0.190 1049 E C 0.643 177.275 176.600 0.054 0.000 0.982 1049 E CA 1.179 57.645 56.400 0.111 0.000 0.803 1049 E CB -0.260 29.501 29.700 0.101 0.000 0.755 1049 E HN 0.951 nan 8.360 nan 0.000 0.453 1050 A N 1.012 123.837 122.820 0.009 0.000 2.479 1050 A HA 0.645 4.964 4.320 -0.001 0.000 0.296 1050 A C -2.750 174.836 177.584 0.002 0.000 1.121 1050 A CA -1.828 50.214 52.037 0.008 0.000 0.743 1050 A CB 1.289 20.288 19.000 -0.002 0.000 1.323 1050 A HN -0.024 nan 8.150 nan 0.000 0.415 1051 P HA 0.334 nan 4.420 nan 0.000 0.269 1051 P C 0.917 178.215 177.300 -0.003 0.000 1.215 1051 P CA 1.882 64.988 63.100 0.009 0.000 0.780 1051 P CB 0.594 32.303 31.700 0.014 0.000 0.898 1052 G N 1.194 109.993 108.800 -0.001 0.000 2.162 1052 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.260 1052 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.260 1052 G C 1.103 175.986 174.900 -0.029 0.000 0.976 1052 G CA 0.435 45.528 45.100 -0.011 0.000 0.655 1052 G HN 0.698 nan 8.290 nan 0.000 0.533 1053 A N -0.452 122.348 122.820 -0.034 0.000 1.969 1053 A HA 0.479 4.798 4.320 -0.001 0.000 0.218 1053 A C 2.632 180.186 177.584 -0.050 0.000 1.169 1053 A CA 2.427 54.430 52.037 -0.057 0.000 0.635 1053 A CB -0.356 18.595 19.000 -0.082 0.000 0.810 1053 A HN 2.502 nan 8.150 nan 0.000 0.445 1054 G N -1.478 107.309 108.800 -0.021 0.000 2.151 1054 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.140 1054 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.140 1054 G C 0.705 175.630 174.900 0.042 0.000 1.020 1054 G CA 0.506 45.609 45.100 0.004 0.000 0.688 1054 G HN 0.427 nan 8.290 nan 0.000 0.500 1055 K N 0.620 121.041 120.400 0.034 0.000 2.020 1055 K HA -0.093 4.227 4.320 -0.001 0.000 0.212 1055 K C 2.618 179.260 176.600 0.069 0.000 1.050 1055 K CA 1.912 58.231 56.287 0.053 0.000 0.929 1055 K CB -0.281 32.245 32.500 0.044 0.000 0.714 1055 K HN 0.295 nan 8.250 nan 0.000 0.443 1056 S N 0.391 116.127 115.700 0.061 0.000 2.368 1056 S HA -0.118 4.352 4.470 -0.001 0.000 0.225 1056 S C 2.066 176.708 174.600 0.071 0.000 1.030 1056 S CA 1.731 59.970 58.200 0.065 0.000 0.999 1056 S CB -0.349 62.887 63.200 0.060 0.000 0.844 1056 S HN 0.361 nan 8.310 nan 0.000 0.459 1057 T N 2.670 117.271 114.554 0.080 0.000 2.737 1057 T HA 0.009 4.358 4.350 -0.001 0.000 0.265 1057 T C 1.717 176.494 174.700 0.128 0.000 1.038 1057 T CA 0.885 63.046 62.100 0.101 0.000 1.144 1057 T CB -0.262 68.701 68.868 0.157 0.000 0.866 1057 T HN 0.197 nan 8.240 nan 0.000 0.434 1058 I N 1.893 122.583 120.570 0.199 0.000 2.226 1058 I HA -0.070 4.099 4.170 -0.001 0.000 0.245 1058 I C 2.901 179.147 176.117 0.216 0.000 1.100 1058 I CA 0.830 62.328 61.300 0.329 0.000 1.374 1058 I CB -1.750 36.427 38.000 0.295 0.000 1.057 1058 I HN 0.177 nan 8.210 nan 0.000 0.413 1059 A N 0.896 123.803 122.820 0.145 0.000 1.883 1059 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 1059 A C 2.576 180.228 177.584 0.114 0.000 1.186 1059 A CA 2.322 54.431 52.037 0.121 0.000 0.624 1059 A CB -0.924 18.127 19.000 0.084 0.000 0.822 1059 A HN 0.412 nan 8.150 nan 0.000 0.444 1060 A N 0.063 122.940 122.820 0.095 0.000 1.877 1060 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 1060 A C 1.913 179.503 177.584 0.010 0.000 1.186 1060 A CA 1.903 54.023 52.037 0.137 0.000 0.620 1060 A CB -0.835 18.151 19.000 -0.024 0.000 0.822 1060 A HN 0.652 nan 8.150 nan 0.000 0.443 1061 N N -0.560 118.002 118.700 -0.229 0.000 2.120 1061 N HA -0.112 4.628 4.740 -0.001 0.000 0.188 1061 N C 1.550 176.831 175.510 -0.382 0.000 1.024 1061 N CA 1.232 53.946 53.050 -0.561 0.000 0.852 1061 N CB -0.226 37.414 38.487 -1.411 0.000 1.003 1061 N HN 0.370 nan 8.380 nan 0.000 0.424 1062 L N 0.945 122.101 121.223 -0.113 0.000 2.046 1062 L HA -0.029 4.310 4.340 -0.001 0.000 0.208 1062 L C 2.062 179.112 176.870 0.300 0.000 1.077 1062 L CA 1.379 56.361 54.840 0.237 0.000 0.747 1062 L CB -0.896 41.385 42.059 0.369 0.000 0.896 1062 L HN 0.155 nan 8.230 nan 0.000 0.432 1063 A N -1.153 121.796 122.820 0.215 0.000 1.883 1063 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 1063 A C 2.268 179.989 177.584 0.230 0.000 1.186 1063 A CA 2.207 54.373 52.037 0.216 0.000 0.624 1063 A CB -1.171 17.920 19.000 0.151 0.000 0.822 1063 A HN 0.300 nan 8.150 nan 0.000 0.444 1064 V N -0.118 119.908 119.914 0.186 0.000 2.332 1064 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 1064 V C 3.054 179.243 176.094 0.157 0.000 1.055 1064 V CA 2.003 64.401 62.300 0.164 0.000 1.038 1064 V CB -1.374 30.521 31.823 0.121 0.000 0.651 1064 V HN 0.638 nan 8.190 nan 0.000 0.450 1065 A N -1.099 121.804 122.820 0.139 0.000 1.908 1065 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 1065 A C 2.087 179.737 177.584 0.110 0.000 1.181 1065 A CA 2.031 54.137 52.037 0.115 0.000 0.627 1065 A CB -0.815 18.256 19.000 0.120 0.000 0.818 1065 A HN 0.565 nan 8.150 nan 0.000 0.445 1066 Y N -0.148 120.208 120.300 0.093 0.000 2.128 1066 Y HA -0.166 4.383 4.550 -0.001 0.000 0.284 1066 Y C 2.972 179.018 175.900 0.244 0.000 1.154 1066 Y CA 1.418 59.590 58.100 0.121 0.000 1.149 1066 Y CB -0.448 37.999 38.460 -0.022 0.000 0.976 1066 Y HN 0.342 nan 8.280 nan 0.000 0.505 1067 A N -0.155 122.864 122.820 0.330 0.000 1.902 1067 A HA -0.276 4.044 4.320 -0.001 0.000 0.217 1067 A C 2.060 179.749 177.584 0.175 0.000 1.181 1067 A CA 1.939 54.120 52.037 0.240 0.000 0.623 1067 A CB -0.736 18.371 19.000 0.179 0.000 0.818 1067 A HN 0.568 nan 8.150 nan 0.000 0.443 1068 Q N -0.861 119.031 119.800 0.152 0.000 2.170 1068 Q HA -0.062 4.278 4.340 -0.001 0.000 0.203 1068 Q C 2.193 178.242 176.000 0.080 0.000 0.976 1068 Q CA 1.203 57.069 55.803 0.105 0.000 0.858 1068 Q CB -0.329 28.464 28.738 0.092 0.000 0.907 1068 Q HN 0.689 nan 8.270 nan 0.000 0.433 1069 A N -0.145 122.739 122.820 0.105 0.000 2.167 1069 A HA 0.203 4.523 4.320 -0.001 0.000 0.214 1069 A C 1.520 179.079 177.584 -0.041 0.000 1.151 1069 A CA 1.019 53.093 52.037 0.062 0.000 0.735 1069 A CB -0.174 18.914 19.000 0.146 0.000 0.802 1069 A HN 0.481 nan 8.150 nan 0.000 0.467 1070 G N -2.820 105.986 108.800 0.008 0.000 2.163 1070 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.213 1070 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.213 1070 G C -0.127 174.719 174.900 -0.091 0.000 0.991 1070 G CA -0.052 45.011 45.100 -0.062 0.000 0.653 1070 G HN 0.372 nan 8.290 nan 0.000 0.518 1071 Y N 1.026 121.406 120.300 0.134 0.000 2.377 1071 Y HA 0.423 4.974 4.550 0.000 0.000 0.330 1071 Y C 1.097 177.110 175.900 0.187 0.000 1.108 1071 Y CA -0.139 58.071 58.100 0.183 0.000 1.308 1071 Y CB 0.881 39.511 38.460 0.283 0.000 1.216 1071 Y HN 0.077 nan 8.280 nan 0.000 0.518 1072 K N 3.155 123.737 120.400 0.304 0.000 2.363 1072 K HA 0.147 4.467 4.320 -0.001 0.000 0.289 1072 K C -0.843 176.001 176.600 0.406 0.000 1.063 1072 K CA 0.168 56.620 56.287 0.275 0.000 0.967 1072 K CB 0.047 32.641 32.500 0.155 0.000 0.987 1072 K HN 0.683 nan 8.250 nan 0.000 0.473 1073 T N 4.680 119.446 114.554 0.353 0.000 2.829 1073 T HA 0.371 4.721 4.350 -0.001 0.000 0.280 1073 T C -1.189 173.505 174.700 -0.009 0.000 0.999 1073 T CA -0.733 61.504 62.100 0.229 0.000 0.983 1073 T CB 1.224 70.224 68.868 0.219 0.000 0.968 1073 T HN 0.445 nan 8.240 nan 0.000 0.446 1074 L N 3.750 124.771 121.223 -0.337 0.000 2.341 1074 L HA 0.720 5.060 4.340 -0.001 0.000 0.278 1074 L C -0.984 175.669 176.870 -0.362 0.000 1.005 1074 L CA -0.851 53.632 54.840 -0.597 0.000 0.818 1074 L CB 1.226 42.535 42.059 -1.251 0.000 1.259 1074 L HN 0.747 nan 8.230 nan 0.000 0.418 1075 I N 5.554 125.942 120.570 -0.303 0.000 2.336 1075 I HA 0.513 4.683 4.170 -0.001 0.000 0.292 1075 I C -1.111 174.864 176.117 -0.237 0.000 0.991 1075 I CA -0.613 60.551 61.300 -0.226 0.000 1.227 1075 I CB 1.385 39.299 38.000 -0.144 0.000 1.366 1075 I HN 0.415 nan 8.210 nan 0.000 0.466 1076 V N 6.897 126.684 119.914 -0.211 0.000 2.370 1076 V HA 0.212 4.331 4.120 -0.001 0.000 0.279 1076 V C -0.119 175.872 176.094 -0.171 0.000 1.029 1076 V CA -0.558 61.627 62.300 -0.193 0.000 0.870 1076 V CB 1.353 33.062 31.823 -0.192 0.000 0.984 1076 V HN 0.631 nan 8.190 nan 0.000 0.451 1077 D N 4.253 124.579 120.400 -0.123 0.000 2.470 1077 D HA 0.189 4.829 4.640 -0.001 0.000 0.226 1077 D C 1.102 177.337 176.300 -0.108 0.000 1.196 1077 D CA 0.106 54.055 54.000 -0.085 0.000 0.979 1077 D CB 1.108 41.893 40.800 -0.025 0.000 1.059 1077 D HN 0.690 nan 8.370 nan 0.000 0.515 1078 G N 2.444 111.121 108.800 -0.205 0.000 3.181 1078 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.219 1078 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.219 1078 G C 0.560 175.463 174.900 0.006 0.000 1.182 1078 G CA -0.294 44.669 45.100 -0.227 0.000 0.791 1078 G HN 0.330 nan 8.290 nan 0.000 0.537 1079 D N 0.792 121.189 120.400 -0.005 0.000 2.468 1079 D HA 0.240 4.879 4.640 -0.001 0.000 0.218 1079 D C 1.200 177.516 176.300 0.027 0.000 1.155 1079 D CA -0.374 53.649 54.000 0.038 0.000 0.924 1079 D CB 0.347 41.169 40.800 0.036 0.000 1.029 1079 D HN 0.085 nan 8.370 nan 0.000 0.515 1080 M N 2.346 121.964 119.600 0.030 0.000 2.530 1080 M HA 0.146 4.625 4.480 -0.001 0.000 0.231 1080 M C 1.408 177.710 176.300 0.002 0.000 1.180 1080 M CA 0.124 55.426 55.300 0.002 0.000 0.985 1080 M CB 0.571 33.165 32.600 -0.010 0.000 1.623 1080 M HN 0.135 nan 8.290 nan 0.000 0.475 1081 R N 0.223 120.734 120.500 0.018 0.000 2.144 1081 R HA 0.187 4.526 4.340 -0.001 0.000 0.195 1081 R C 0.391 176.711 176.300 0.033 0.000 1.077 1081 R CA 0.491 56.603 56.100 0.021 0.000 1.120 1081 R CB 0.557 30.870 30.300 0.023 0.000 1.060 1081 R HN 0.108 nan 8.270 nan 0.000 0.520 1082 K N 1.726 122.153 120.400 0.045 0.000 2.954 1082 K HA 0.283 4.602 4.320 -0.001 0.000 0.171 1082 K C -2.627 174.021 176.600 0.079 0.000 1.079 1082 K CA -1.374 54.953 56.287 0.067 0.000 0.908 1082 K CB 1.829 34.369 32.500 0.066 0.000 1.142 1082 K HN 0.057 nan 8.250 nan 0.000 0.613 1083 P HA 0.003 nan 4.420 nan 0.000 0.271 1083 P C 0.322 177.696 177.300 0.123 0.000 1.218 1083 P CA 0.200 63.357 63.100 0.095 0.000 0.780 1083 P CB 1.230 32.968 31.700 0.063 0.000 0.901 1084 T N -2.785 111.811 114.554 0.070 0.000 3.130 1084 T HA 0.038 4.387 4.350 -0.001 0.000 0.288 1084 T C 1.278 175.942 174.700 -0.059 0.000 0.936 1084 T CA -0.253 61.825 62.100 -0.036 0.000 0.897 1084 T CB -0.180 68.757 68.868 0.116 0.000 1.178 1084 T HN 0.085 nan 8.240 nan 0.000 0.543 1085 Q N 1.826 121.673 119.800 0.077 0.000 2.170 1085 Q HA -0.125 4.214 4.340 -0.001 0.000 0.203 1085 Q C 2.207 178.328 176.000 0.202 0.000 0.976 1085 Q CA 1.879 57.789 55.803 0.178 0.000 0.858 1085 Q CB -0.512 28.338 28.738 0.186 0.000 0.907 1085 Q HN 0.901 nan 8.270 nan 0.000 0.433 1086 H N -1.454 117.616 119.070 0.000 0.000 2.423 1086 H HA -0.104 4.451 4.556 -0.001 0.000 0.297 1086 H C 1.360 176.724 175.328 0.059 0.000 1.075 1086 H CA 1.046 57.085 56.048 -0.014 0.000 1.342 1086 H CB -0.679 29.000 29.762 -0.138 0.000 1.395 1086 H HN 0.183 nan 8.280 nan 0.000 0.530 1087 Y N 1.166 121.157 120.300 -0.515 0.000 2.163 1087 Y HA -0.020 4.529 4.550 -0.001 0.000 0.288 1087 Y C 3.037 178.845 175.900 -0.154 0.000 1.136 1087 Y CA 0.460 58.373 58.100 -0.311 0.000 1.147 1087 Y CB -0.642 37.612 38.460 -0.342 0.000 0.987 1087 Y HN 0.110 nan 8.280 nan 0.000 0.509 1088 I N -1.517 119.062 120.570 0.015 0.000 2.226 1088 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 1088 I C 1.414 177.355 176.117 -0.295 0.000 1.100 1088 I CA 1.580 62.780 61.300 -0.166 0.000 1.374 1088 I CB -0.402 37.441 38.000 -0.261 0.000 1.057 1088 I HN 0.037 nan 8.210 nan 0.000 0.413 1089 F N 0.312 120.255 119.950 -0.011 0.000 2.765 1089 F HA 0.148 4.674 4.527 -0.002 0.000 0.302 1089 F C 0.897 176.695 175.800 -0.005 0.000 1.111 1089 F CA -0.133 57.852 58.000 -0.026 0.000 1.359 1089 F CB -0.567 38.410 39.000 -0.038 0.000 1.097 1089 F HN 0.085 nan 8.300 nan 0.000 0.577 1090 N N 1.644 120.428 118.700 0.139 0.000 2.696 1090 N HA -0.216 4.523 4.740 -0.001 0.000 0.256 1090 N C -1.259 174.327 175.510 0.127 0.000 1.031 1090 N CA 0.397 53.517 53.050 0.117 0.000 0.730 1090 N CB -1.221 37.312 38.487 0.076 0.000 0.894 1090 N HN 0.311 nan 8.380 nan 0.000 0.544 1091 L N -0.090 121.223 121.223 0.150 0.000 2.341 1091 L HA 0.725 5.064 4.340 -0.001 0.000 0.267 1091 L C -1.761 175.179 176.870 0.117 0.000 1.009 1091 L CA -2.107 52.803 54.840 0.116 0.000 0.819 1091 L CB 1.507 43.625 42.059 0.099 0.000 1.323 1091 L HN 0.005 nan 8.230 nan 0.000 0.425 1092 P HA 0.138 nan 4.420 nan 0.000 0.272 1092 P C -0.709 176.592 177.300 0.003 0.000 1.223 1092 P CA -0.193 62.935 63.100 0.046 0.000 0.784 1092 P CB 0.542 32.257 31.700 0.025 0.000 0.923 1093 N N 1.130 119.796 118.700 -0.056 0.000 2.497 1093 N HA 0.091 4.831 4.740 -0.001 0.000 0.284 1093 N C 0.307 175.748 175.510 -0.116 0.000 1.459 1093 N CA -0.049 52.901 53.050 -0.167 0.000 0.899 1093 N CB -0.390 37.800 38.487 -0.495 0.000 1.316 1093 N HN 0.173 nan 8.380 nan 0.000 0.500 1094 N N -0.058 118.612 118.700 -0.050 0.000 2.300 1094 N HA 0.004 4.744 4.740 -0.001 0.000 0.179 1094 N C -0.337 175.175 175.510 0.002 0.000 1.016 1094 N CA 0.914 53.953 53.050 -0.019 0.000 0.876 1094 N CB 0.584 39.069 38.487 -0.003 0.000 0.979 1094 N HN 0.492 nan 8.380 nan 0.000 0.432 1095 E N -1.028 119.167 120.200 -0.008 0.000 2.312 1095 E HA 0.670 5.019 4.350 -0.001 0.000 0.267 1095 E C -0.195 176.386 176.600 -0.030 0.000 0.894 1095 E CA -0.835 55.569 56.400 0.006 0.000 0.773 1095 E CB 2.601 32.310 29.700 0.016 0.000 1.241 1095 E HN 0.152 nan 8.360 nan 0.000 0.432 1096 G N 0.392 109.174 108.800 -0.030 0.000 2.392 1096 G HA2 0.042 4.001 3.960 -0.001 0.000 0.260 1096 G HA3 0.042 4.001 3.960 -0.001 0.000 0.260 1096 G C -0.262 174.608 174.900 -0.050 0.000 1.226 1096 G CA -0.556 44.509 45.100 -0.059 0.000 0.913 1096 G HN 0.433 nan 8.290 nan 0.000 0.483 1097 L N 1.420 122.612 121.223 -0.052 0.000 1.990 1097 L HA -0.045 4.294 4.340 -0.001 0.000 0.213 1097 L C 3.188 180.035 176.870 -0.039 0.000 1.072 1097 L CA 3.796 58.621 54.840 -0.025 0.000 0.755 1097 L CB -0.824 41.231 42.059 -0.006 0.000 0.889 1097 L HN 0.883 nan 8.230 nan 0.000 0.432 1098 S N -1.322 114.340 115.700 -0.065 0.000 2.356 1098 S HA -0.210 4.260 4.470 -0.001 0.000 0.223 1098 S C 2.103 176.585 174.600 -0.196 0.000 1.032 1098 S CA 1.485 59.613 58.200 -0.120 0.000 1.005 1098 S CB -1.286 61.850 63.200 -0.107 0.000 0.867 1098 S HN 0.692 nan 8.310 nan 0.000 0.449 1099 S N 2.306 117.943 115.700 -0.105 0.000 2.383 1099 S HA 0.004 4.474 4.470 -0.001 0.000 0.227 1099 S C 1.869 176.425 174.600 -0.075 0.000 1.026 1099 S CA 0.920 59.083 58.200 -0.061 0.000 0.981 1099 S CB -0.916 62.380 63.200 0.161 0.000 0.818 1099 S HN 0.404 nan 8.310 nan 0.000 0.472 1100 L N 1.757 122.957 121.223 -0.038 0.000 2.012 1100 L HA 0.102 4.442 4.340 -0.001 0.000 0.210 1100 L C 2.274 179.120 176.870 -0.040 0.000 1.073 1100 L CA 1.652 56.485 54.840 -0.011 0.000 0.748 1100 L CB -0.813 41.248 42.059 0.003 0.000 0.891 1100 L HN 0.371 nan 8.230 nan 0.000 0.431 1101 L N -1.169 120.014 121.223 -0.067 0.000 2.201 1101 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 1101 L C 2.098 178.868 176.870 -0.167 0.000 1.105 1101 L CA 0.800 55.600 54.840 -0.067 0.000 0.775 1101 L CB -0.387 41.652 42.059 -0.033 0.000 0.913 1101 L HN 0.288 nan 8.230 nan 0.000 0.440 1102 L N -0.458 120.559 121.223 -0.343 0.000 2.611 1102 L HA 0.063 4.403 4.340 -0.001 0.000 0.229 1102 L C 0.674 177.301 176.870 -0.405 0.000 1.137 1102 L CA -0.105 54.391 54.840 -0.574 0.000 0.901 1102 L CB -0.358 40.913 42.059 -1.313 0.000 1.098 1102 L HN 0.336 nan 8.230 nan 0.000 0.456 1103 N N -1.041 117.566 118.700 -0.155 0.000 2.725 1103 N HA -0.248 4.492 4.740 -0.001 0.000 0.249 1103 N C 0.395 176.032 175.510 0.213 0.000 1.103 1103 N CA 0.577 53.645 53.050 0.030 0.000 0.707 1103 N CB -0.877 37.641 38.487 0.051 0.000 1.043 1103 N HN 0.344 nan 8.380 nan 0.000 0.553 1104 W N -0.293 121.015 121.300 0.014 0.000 2.640 1104 W HA 0.341 5.001 4.660 0.000 0.000 0.268 1104 W C 1.189 177.713 176.519 0.007 0.000 1.263 1104 W CA 0.763 58.113 57.345 0.007 0.000 1.344 1104 W CB -0.902 28.559 29.460 0.001 0.000 1.093 1104 W HN 0.301 nan 8.180 nan 0.000 0.603 1105 S N -0.880 114.949 115.700 0.215 0.000 2.570 1105 S HA 0.599 5.068 4.470 -0.001 0.000 0.286 1105 S C -0.099 174.557 174.600 0.094 0.000 1.099 1105 S CA -0.611 57.665 58.200 0.126 0.000 0.913 1105 S CB 2.311 65.569 63.200 0.096 0.000 1.085 1105 S HN -0.017 nan 8.310 nan 0.000 0.480 1106 T N -0.357 114.246 114.554 0.082 0.000 2.899 1106 T HA 0.310 4.659 4.350 -0.001 0.000 0.284 1106 T C 0.833 175.597 174.700 0.107 0.000 1.004 1106 T CA -0.518 61.640 62.100 0.097 0.000 1.043 1106 T CB 0.316 69.238 68.868 0.090 0.000 1.013 1106 T HN 0.692 nan 8.240 nan 0.000 0.518 1107 Y N 2.081 122.390 120.300 0.015 0.000 2.069 1107 Y HA -0.278 4.272 4.550 -0.001 0.000 0.278 1107 Y C 2.894 178.803 175.900 0.015 0.000 1.175 1107 Y CA 2.496 60.603 58.100 0.012 0.000 1.134 1107 Y CB -0.275 38.188 38.460 0.005 0.000 0.965 1107 Y HN 0.790 nan 8.280 nan 0.000 0.498 1108 Q N -0.611 119.316 119.800 0.212 0.000 2.226 1108 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 1108 Q C 1.022 177.030 176.000 0.013 0.000 0.975 1108 Q CA 1.845 57.718 55.803 0.117 0.000 0.866 1108 Q CB -0.465 28.356 28.738 0.138 0.000 0.915 1108 Q HN 0.497 nan 8.270 nan 0.000 0.440 1109 D N 0.606 121.014 120.400 0.012 0.000 2.305 1109 D HA 0.052 4.691 4.640 -0.001 0.000 0.206 1109 D C 1.416 177.693 176.300 -0.038 0.000 0.974 1109 D CA 0.775 54.773 54.000 -0.003 0.000 0.871 1109 D CB 0.303 41.114 40.800 0.019 0.000 0.947 1109 D HN 0.214 nan 8.370 nan 0.000 0.516 1110 S N -0.136 115.518 115.700 -0.076 0.000 2.458 1110 S HA 0.165 4.634 4.470 -0.001 0.000 0.223 1110 S C 1.094 175.605 174.600 -0.149 0.000 1.019 1110 S CA -0.022 58.119 58.200 -0.098 0.000 0.937 1110 S CB 0.829 63.972 63.200 -0.095 0.000 0.788 1110 S HN 0.157 nan 8.310 nan 0.000 0.511 1111 I N 2.303 122.742 120.570 -0.219 0.000 2.365 1111 I HA 0.318 4.487 4.170 -0.001 0.000 0.291 1111 I C -0.696 175.345 176.117 -0.126 0.000 1.004 1111 I CA -0.299 60.873 61.300 -0.214 0.000 1.311 1111 I CB 1.142 38.956 38.000 -0.310 0.000 1.401 1111 I HN 0.039 nan 8.210 nan 0.000 0.491 1112 I N 5.053 125.555 120.570 -0.113 0.000 2.354 1112 I HA 0.193 4.363 4.170 -0.001 0.000 0.292 1112 I C 0.065 176.137 176.117 -0.075 0.000 0.989 1112 I CA -0.284 60.969 61.300 -0.080 0.000 1.188 1112 I CB 1.589 39.543 38.000 -0.077 0.000 1.342 1112 I HN 0.489 nan 8.210 nan 0.000 0.457 1113 S N 4.352 120.029 115.700 -0.037 0.000 2.422 1113 S HA 0.184 4.654 4.470 -0.001 0.000 0.283 1113 S C 0.470 175.051 174.600 -0.032 0.000 1.163 1113 S CA -0.702 57.485 58.200 -0.022 0.000 1.054 1113 S CB 0.447 63.650 63.200 0.006 0.000 0.967 1113 S HN 0.771 nan 8.310 nan 0.000 0.499 1114 T N 0.128 114.647 114.554 -0.058 0.000 2.726 1114 T HA 0.158 4.508 4.350 -0.001 0.000 0.294 1114 T C 1.163 175.855 174.700 -0.013 0.000 1.013 1114 T CA -0.632 61.438 62.100 -0.050 0.000 0.996 1114 T CB 0.423 69.232 68.868 -0.099 0.000 1.016 1114 T HN 0.703 nan 8.240 nan 0.000 0.529 1115 E N -0.025 120.174 120.200 -0.000 0.000 2.516 1115 E HA 0.064 4.413 4.350 -0.001 0.000 0.199 1115 E C 0.170 176.786 176.600 0.025 0.000 1.069 1115 E CA 0.165 56.576 56.400 0.019 0.000 0.876 1115 E CB -0.335 29.385 29.700 0.034 0.000 0.843 1115 E HN 0.671 nan 8.360 nan 0.000 0.530 1116 I N 2.644 123.212 120.570 -0.003 0.000 2.312 1116 I HA 0.069 4.238 4.170 -0.001 0.000 0.291 1116 I C 0.449 176.593 176.117 0.046 0.000 1.031 1116 I CA -0.578 60.738 61.300 0.026 0.000 1.293 1116 I CB 0.937 38.934 38.000 -0.006 0.000 1.403 1116 I HN 0.123 nan 8.210 nan 0.000 0.484 1117 E N 6.326 126.566 120.200 0.065 0.000 2.413 1117 E HA -0.098 4.251 4.350 -0.001 0.000 0.263 1117 E C -0.091 176.553 176.600 0.073 0.000 1.015 1117 E CA 0.150 56.586 56.400 0.059 0.000 0.916 1117 E CB 0.434 30.168 29.700 0.056 0.000 0.947 1117 E HN 0.622 nan 8.360 nan 0.000 0.440 1118 D N 1.080 121.526 120.400 0.076 0.000 3.079 1118 D HA -0.223 4.417 4.640 -0.001 0.000 0.214 1118 D C -0.728 175.648 176.300 0.126 0.000 1.145 1118 D CA 0.739 54.804 54.000 0.108 0.000 0.958 1118 D CB -0.925 39.947 40.800 0.120 0.000 1.117 1118 D HN 0.231 nan 8.370 nan 0.000 0.416 1119 L N 1.448 122.716 121.223 0.076 0.000 2.343 1119 L HA 0.441 4.781 4.340 -0.001 0.000 0.278 1119 L C -0.777 176.066 176.870 -0.045 0.000 0.996 1119 L CA -0.387 54.466 54.840 0.022 0.000 0.831 1119 L CB 1.587 43.644 42.059 -0.004 0.000 1.232 1119 L HN -0.258 nan 8.230 nan 0.000 0.413 1120 D N 3.210 123.579 120.400 -0.051 0.000 2.228 1120 D HA 0.633 5.273 4.640 -0.001 0.000 0.247 1120 D C -0.903 175.230 176.300 -0.279 0.000 0.995 1120 D CA -0.060 53.874 54.000 -0.110 0.000 0.903 1120 D CB 2.487 43.309 40.800 0.035 0.000 1.205 1120 D HN 0.253 nan 8.370 nan 0.000 0.459 1121 V N 1.892 121.628 119.914 -0.297 0.000 2.588 1121 V HA 0.297 4.416 4.120 -0.001 0.000 0.304 1121 V C -0.783 175.165 176.094 -0.244 0.000 1.042 1121 V CA -0.899 61.192 62.300 -0.348 0.000 0.877 1121 V CB 1.948 33.489 31.823 -0.469 0.000 0.996 1121 V HN 0.308 nan 8.190 nan 0.000 0.425 1122 L N 6.134 127.219 121.223 -0.231 0.000 2.283 1122 L HA 0.577 4.916 4.340 -0.001 0.000 0.281 1122 L C 0.751 177.542 176.870 -0.132 0.000 1.033 1122 L CA 0.292 55.025 54.840 -0.178 0.000 0.848 1122 L CB 1.082 43.031 42.059 -0.184 0.000 1.226 1122 L HN 0.913 nan 8.230 nan 0.000 0.429 1123 T N 0.566 115.057 114.554 -0.104 0.000 2.766 1123 T HA 0.157 4.506 4.350 -0.001 0.000 0.295 1123 T C 1.415 176.066 174.700 -0.082 0.000 1.024 1123 T CA 0.055 62.112 62.100 -0.071 0.000 1.018 1123 T CB 0.572 69.403 68.868 -0.062 0.000 1.002 1123 T HN 0.713 nan 8.240 nan 0.000 0.532 1124 S N 0.385 116.032 115.700 -0.087 0.000 2.423 1124 S HA 0.282 4.751 4.470 -0.001 0.000 0.231 1124 S C 1.531 176.079 174.600 -0.088 0.000 1.014 1124 S CA 0.349 58.500 58.200 -0.082 0.000 0.965 1124 S CB -1.652 61.500 63.200 -0.079 0.000 0.785 1124 S HN 2.125 nan 8.310 nan 0.000 0.495 1125 G N 1.212 109.942 108.800 -0.116 0.000 2.782 1125 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.228 1125 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.228 1125 G C -3.113 171.736 174.900 -0.085 0.000 1.372 1125 G CA -0.642 44.408 45.100 -0.083 0.000 0.862 1125 G HN 0.459 nan 8.290 nan 0.000 0.547 1126 P HA 0.256 nan 4.420 nan 0.000 0.267 1126 P C 0.619 177.918 177.300 -0.002 0.000 1.200 1126 P CA -0.346 62.757 63.100 0.004 0.000 0.772 1126 P CB 0.311 32.070 31.700 0.098 0.000 0.855 1127 I N 4.406 124.974 120.570 -0.003 0.000 2.578 1127 I HA 0.048 4.217 4.170 -0.001 0.000 0.286 1127 I C -1.478 174.647 176.117 0.014 0.000 1.126 1127 I CA -1.770 59.529 61.300 -0.002 0.000 1.380 1127 I CB -0.895 37.108 38.000 0.006 0.000 1.408 1127 I HN 0.261 nan 8.210 nan 0.000 0.532 1128 P HA 0.326 nan 4.420 nan 0.000 0.279 1128 P C -2.005 175.290 177.300 -0.008 0.000 1.252 1128 P CA -1.343 61.746 63.100 -0.018 0.000 0.811 1128 P CB 0.309 31.965 31.700 -0.073 0.000 1.035 1129 P HA -0.103 nan 4.420 nan 0.000 0.218 1129 P C 0.222 177.514 177.300 -0.014 0.000 1.149 1129 P CA 1.485 64.587 63.100 0.004 0.000 0.817 1129 P CB 0.237 31.947 31.700 0.016 0.000 0.785 1130 N N -1.075 117.606 118.700 -0.032 0.000 2.640 1130 N HA 0.207 4.946 4.740 -0.001 0.000 0.262 1130 N C -2.335 173.133 175.510 -0.070 0.000 1.174 1130 N CA -2.080 50.943 53.050 -0.044 0.000 0.791 1130 N CB 0.883 39.346 38.487 -0.040 0.000 1.279 1130 N HN -0.274 nan 8.380 nan 0.000 0.535 1131 P HA -0.091 nan 4.420 nan 0.000 0.216 1131 P C 1.057 178.265 177.300 -0.153 0.000 1.150 1131 P CA 1.128 64.166 63.100 -0.104 0.000 0.837 1131 P CB 0.408 32.061 31.700 -0.079 0.000 0.786 1132 S N -0.170 115.450 115.700 -0.134 0.000 2.374 1132 S HA -0.244 4.225 4.470 -0.001 0.000 0.227 1132 S C 1.967 176.485 174.600 -0.137 0.000 1.037 1132 S CA 1.499 59.608 58.200 -0.151 0.000 1.024 1132 S CB -0.921 62.216 63.200 -0.106 0.000 0.861 1132 S HN 0.382 nan 8.310 nan 0.000 0.456 1133 E N 0.978 121.117 120.200 -0.102 0.000 2.110 1133 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 1133 E C 1.925 178.470 176.600 -0.091 0.000 0.988 1133 E CA 0.922 57.274 56.400 -0.080 0.000 0.804 1133 E CB -0.148 29.515 29.700 -0.063 0.000 0.745 1133 E HN 0.469 nan 8.360 nan 0.000 0.458 1134 L N 0.340 121.489 121.223 -0.122 0.000 2.072 1134 L HA -0.134 4.205 4.340 -0.001 0.000 0.205 1134 L C 2.540 179.312 176.870 -0.163 0.000 1.079 1134 L CA 0.776 55.540 54.840 -0.126 0.000 0.752 1134 L CB -0.358 41.616 42.059 -0.142 0.000 0.906 1134 L HN 0.210 nan 8.230 nan 0.000 0.436 1135 I N 0.091 120.474 120.570 -0.312 0.000 2.286 1135 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 1135 I C 2.384 178.388 176.117 -0.188 0.000 1.115 1135 I CA 1.830 62.797 61.300 -0.557 0.000 1.392 1135 I CB -0.439 37.066 38.000 -0.825 0.000 1.065 1135 I HN 0.381 nan 8.210 nan 0.000 0.418 1136 T N -2.136 112.369 114.554 -0.082 0.000 3.129 1136 T HA 0.111 4.461 4.350 -0.001 0.000 0.251 1136 T C 0.862 175.605 174.700 0.073 0.000 1.117 1136 T CA -0.026 62.096 62.100 0.036 0.000 1.034 1136 T CB -0.550 68.309 68.868 -0.016 0.000 0.968 1136 T HN 0.317 nan 8.240 nan 0.000 0.526 1137 S N 0.923 116.659 115.700 0.061 0.000 2.585 1137 S HA 0.354 4.824 4.470 -0.001 0.000 0.273 1137 S C 1.327 175.993 174.600 0.110 0.000 1.339 1137 S CA -0.999 57.238 58.200 0.062 0.000 1.028 1137 S CB 1.180 64.397 63.200 0.028 0.000 0.906 1137 S HN 0.085 nan 8.310 nan 0.000 0.528 1138 R N 1.507 122.052 120.500 0.075 0.000 2.120 1138 R HA -0.052 4.288 4.340 -0.001 0.000 0.234 1138 R C 2.556 178.894 176.300 0.063 0.000 1.123 1138 R CA 1.488 57.632 56.100 0.074 0.000 0.975 1138 R CB -1.943 28.384 30.300 0.046 0.000 0.866 1138 R HN 0.893 nan 8.270 nan 0.000 0.446 1139 A N 0.485 123.337 122.820 0.053 0.000 1.917 1139 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 1139 A C 2.056 179.672 177.584 0.053 0.000 1.182 1139 A CA 1.551 53.613 52.037 0.042 0.000 0.633 1139 A CB -0.713 18.305 19.000 0.030 0.000 0.819 1139 A HN 0.338 nan 8.150 nan 0.000 0.448 1140 F N 0.625 120.551 119.950 -0.040 0.000 2.163 1140 F HA 0.080 4.607 4.527 -0.001 0.000 0.297 1140 F C 2.539 178.277 175.800 -0.103 0.000 1.094 1140 F CA 0.982 58.928 58.000 -0.091 0.000 1.290 1140 F CB -0.523 38.376 39.000 -0.168 0.000 1.017 1140 F HN 0.248 nan 8.300 nan 0.000 0.483 1141 A N 0.684 123.467 122.820 -0.061 0.000 1.908 1141 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 1141 A C 2.055 179.606 177.584 -0.055 0.000 1.181 1141 A CA 2.125 54.181 52.037 0.031 0.000 0.627 1141 A CB -0.966 18.197 19.000 0.271 0.000 0.818 1141 A HN 0.521 nan 8.150 nan 0.000 0.445 1142 N N -0.366 118.303 118.700 -0.052 0.000 2.142 1142 N HA -0.103 4.637 4.740 -0.001 0.000 0.186 1142 N C 1.594 177.041 175.510 -0.105 0.000 1.023 1142 N CA 1.367 54.387 53.050 -0.050 0.000 0.852 1142 N CB -0.623 37.849 38.487 -0.023 0.000 0.998 1142 N HN 0.418 nan 8.380 nan 0.000 0.424 1143 L N 0.425 121.553 121.223 -0.158 0.000 2.012 1143 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 1143 L C 2.195 178.925 176.870 -0.233 0.000 1.073 1143 L CA 1.596 56.344 54.840 -0.153 0.000 0.748 1143 L CB -1.066 40.913 42.059 -0.132 0.000 0.891 1143 L HN 0.156 nan 8.230 nan 0.000 0.431 1144 Y N 0.501 120.431 120.300 -0.617 0.000 2.165 1144 Y HA -0.285 4.265 4.550 0.001 0.000 0.286 1144 Y C 2.243 178.010 175.900 -0.221 0.000 1.155 1144 Y CA 2.134 59.911 58.100 -0.540 0.000 1.164 1144 Y CB -0.418 37.553 38.460 -0.815 0.000 0.978 1144 Y HN 0.350 nan 8.280 nan 0.000 0.513 1145 D N -0.844 119.462 120.400 -0.157 0.000 2.123 1145 D HA -0.169 4.471 4.640 -0.001 0.000 0.196 1145 D C 2.161 178.359 176.300 -0.170 0.000 0.992 1145 D CA 2.061 55.977 54.000 -0.141 0.000 0.833 1145 D CB -0.595 40.185 40.800 -0.033 0.000 0.954 1145 D HN 0.362 nan 8.370 nan 0.000 0.455 1146 T N 1.078 115.549 114.554 -0.139 0.000 2.746 1146 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 1146 T C 2.194 176.856 174.700 -0.064 0.000 1.039 1146 T CA 0.589 62.618 62.100 -0.117 0.000 1.142 1146 T CB -0.244 68.544 68.868 -0.133 0.000 0.866 1146 T HN 0.129 nan 8.240 nan 0.000 0.444 1147 L N 0.469 121.655 121.223 -0.062 0.000 2.046 1147 L HA -0.029 4.310 4.340 -0.001 0.000 0.208 1147 L C 2.499 179.352 176.870 -0.028 0.000 1.077 1147 L CA 1.094 55.957 54.840 0.038 0.000 0.747 1147 L CB -0.680 41.326 42.059 -0.090 0.000 0.896 1147 L HN 0.254 nan 8.230 nan 0.000 0.432 1148 L N -0.849 120.217 121.223 -0.261 0.000 2.127 1148 L HA -0.235 4.104 4.340 -0.001 0.000 0.211 1148 L C 2.534 179.347 176.870 -0.096 0.000 1.089 1148 L CA 1.385 56.087 54.840 -0.229 0.000 0.757 1148 L CB -0.357 41.502 42.059 -0.334 0.000 0.899 1148 L HN 0.381 nan 8.230 nan 0.000 0.434 1149 M N -1.080 118.466 119.600 -0.090 0.000 2.447 1149 M HA -0.048 4.432 4.480 -0.001 0.000 0.264 1149 M C 1.262 177.515 176.300 -0.078 0.000 1.095 1149 M CA 0.869 56.126 55.300 -0.072 0.000 1.125 1149 M CB -0.078 32.473 32.600 -0.082 0.000 1.389 1149 M HN 0.207 nan 8.290 nan 0.000 0.459 1150 N N -0.824 117.830 118.700 -0.077 0.000 2.356 1150 N HA 0.100 4.840 4.740 -0.001 0.000 0.178 1150 N C -0.738 174.504 175.510 -0.446 0.000 1.075 1150 N CA 0.558 53.471 53.050 -0.229 0.000 0.889 1150 N CB 0.547 38.906 38.487 -0.214 0.000 0.999 1150 N HN 0.205 nan 8.380 nan 0.000 0.464 1151 Y N -0.203 120.088 120.300 -0.015 0.000 2.462 1151 Y HA 0.319 4.869 4.550 -0.000 0.000 0.346 1151 Y C 0.967 176.890 175.900 0.038 0.000 0.976 1151 Y CA -0.975 57.132 58.100 0.011 0.000 1.044 1151 Y CB 1.410 39.859 38.460 -0.019 0.000 1.230 1151 Y HN -0.149 nan 8.280 nan 0.000 0.455 1152 N N 1.237 120.096 118.700 0.264 0.000 2.244 1152 N HA -0.066 4.674 4.740 -0.001 0.000 0.183 1152 N C -0.903 174.815 175.510 0.346 0.000 1.016 1152 N CA 0.954 54.182 53.050 0.296 0.000 0.866 1152 N CB 0.298 39.023 38.487 0.397 0.000 0.980 1152 N HN 0.344 nan 8.380 nan 0.000 0.430 1153 F N 0.186 120.189 119.950 0.090 0.000 2.604 1153 F HA 0.402 4.928 4.527 -0.002 0.000 0.316 1153 F C -1.533 174.176 175.800 -0.151 0.000 1.136 1153 F CA -0.941 56.995 58.000 -0.106 0.000 0.989 1153 F CB 1.368 40.176 39.000 -0.320 0.000 1.258 1153 F HN -0.413 nan 8.300 nan 0.000 0.451 1154 V N 6.730 126.232 119.914 -0.685 0.000 2.487 1154 V HA 0.527 4.646 4.120 -0.001 0.000 0.298 1154 V C -0.367 175.382 176.094 -0.574 0.000 1.028 1154 V CA -0.679 61.323 62.300 -0.497 0.000 0.860 1154 V CB 1.841 33.452 31.823 -0.353 0.000 0.991 1154 V HN 0.564 nan 8.190 nan 0.000 0.427 1155 I N 5.585 125.948 120.570 -0.345 0.000 2.406 1155 I HA 0.501 4.671 4.170 -0.001 0.000 0.290 1155 I C -0.604 175.398 176.117 -0.192 0.000 0.999 1155 I CA -0.338 60.826 61.300 -0.227 0.000 1.124 1155 I CB 1.792 39.740 38.000 -0.085 0.000 1.289 1155 I HN 0.440 nan 8.210 nan 0.000 0.441 1156 I N 5.027 125.484 120.570 -0.189 0.000 2.354 1156 I HA 0.243 4.413 4.170 -0.001 0.000 0.286 1156 I C -0.338 175.647 176.117 -0.219 0.000 1.007 1156 I CA -0.582 60.555 61.300 -0.273 0.000 1.167 1156 I CB 1.240 38.979 38.000 -0.435 0.000 1.320 1156 I HN 0.480 nan 8.210 nan 0.000 0.458 1157 D N 5.149 125.441 120.400 -0.180 0.000 2.345 1157 D HA 0.383 5.023 4.640 -0.001 0.000 0.247 1157 D C -0.172 176.049 176.300 -0.133 0.000 1.108 1157 D CA 0.279 54.222 54.000 -0.095 0.000 0.894 1157 D CB 1.173 41.951 40.800 -0.036 0.000 1.203 1157 D HN 0.662 nan 8.370 nan 0.000 0.430 1158 T N -0.049 114.481 114.554 -0.040 0.000 2.865 1158 T HA 0.716 5.066 4.350 -0.001 0.000 0.294 1158 T C -2.835 171.900 174.700 0.058 0.000 1.119 1158 T CA -1.846 60.266 62.100 0.019 0.000 1.007 1158 T CB 1.678 70.595 68.868 0.081 0.000 1.225 1158 T HN 0.079 nan 8.240 nan 0.000 0.515 1159 P HA 0.404 nan 4.420 nan 0.000 0.276 1159 P C -2.629 174.714 177.300 0.072 0.000 1.261 1159 P CA -1.643 61.497 63.100 0.067 0.000 0.800 1159 P CB -0.591 31.146 31.700 0.062 0.000 1.066 1160 P HA 0.006 nan 4.420 nan 0.000 0.271 1160 P C 0.759 178.102 177.300 0.073 0.000 1.218 1160 P CA 0.086 63.226 63.100 0.066 0.000 0.780 1160 P CB 0.573 32.301 31.700 0.047 0.000 0.901 1161 V N 1.974 121.947 119.914 0.098 0.000 2.358 1161 V HA -0.181 3.938 4.120 -0.001 0.000 0.246 1161 V C 2.085 178.214 176.094 0.058 0.000 1.047 1161 V CA 1.786 64.138 62.300 0.086 0.000 1.035 1161 V CB -1.136 30.758 31.823 0.118 0.000 0.658 1161 V HN 0.544 nan 8.190 nan 0.000 0.452 1162 N N 0.310 119.046 118.700 0.061 0.000 2.459 1162 N HA -0.092 4.647 4.740 -0.001 0.000 0.181 1162 N C 1.802 177.329 175.510 0.028 0.000 1.046 1162 N CA 1.717 54.793 53.050 0.043 0.000 0.904 1162 N CB -0.004 38.510 38.487 0.045 0.000 0.964 1162 N HN 0.743 nan 8.380 nan 0.000 0.444 1163 T N -3.215 111.356 114.554 0.028 0.000 3.018 1163 T HA 0.217 4.566 4.350 -0.001 0.000 0.246 1163 T C 0.865 175.573 174.700 0.013 0.000 1.026 1163 T CA -0.046 62.065 62.100 0.019 0.000 1.081 1163 T CB -0.058 68.822 68.868 0.020 0.000 0.970 1163 T HN -0.059 nan 8.240 nan 0.000 0.475 1164 V N -0.156 119.767 119.914 0.016 0.000 3.078 1164 V HA 0.732 4.852 4.120 -0.001 0.000 0.311 1164 V C 0.772 176.867 176.094 0.002 0.000 1.138 1164 V CA -0.317 61.985 62.300 0.004 0.000 1.007 1164 V CB 1.560 33.385 31.823 0.003 0.000 1.045 1164 V HN 0.257 nan 8.190 nan 0.000 0.432 1165 T N -2.935 111.608 114.554 -0.019 0.000 3.169 1165 T HA 0.070 4.420 4.350 -0.001 0.000 0.250 1165 T C 0.770 175.441 174.700 -0.048 0.000 1.111 1165 T CA 0.743 62.826 62.100 -0.029 0.000 1.010 1165 T CB -0.479 68.362 68.868 -0.045 0.000 0.984 1165 T HN 0.746 nan 8.240 nan 0.000 0.537 1166 D N 2.762 123.136 120.400 -0.044 0.000 2.116 1166 D HA -0.083 4.556 4.640 -0.001 0.000 0.193 1166 D C 2.349 178.656 176.300 0.013 0.000 0.998 1166 D CA 1.703 55.651 54.000 -0.087 0.000 0.836 1166 D CB -0.684 40.118 40.800 0.004 0.000 0.951 1166 D HN 0.585 nan 8.370 nan 0.000 0.449 1167 A N 0.499 123.396 122.820 0.129 0.000 1.902 1167 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 1167 A C 2.138 179.800 177.584 0.130 0.000 1.181 1167 A CA 1.676 53.833 52.037 0.200 0.000 0.623 1167 A CB -0.702 18.386 19.000 0.146 0.000 0.818 1167 A HN 0.225 nan 8.150 nan 0.000 0.443 1168 Q N -0.382 119.446 119.800 0.046 0.000 2.096 1168 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 1168 Q C 2.054 178.047 176.000 -0.010 0.000 0.982 1168 Q CA 1.608 57.416 55.803 0.008 0.000 0.850 1168 Q CB -0.359 28.367 28.738 -0.020 0.000 0.901 1168 Q HN 0.707 nan 8.270 nan 0.000 0.422 1169 L N -0.916 120.270 121.223 -0.062 0.000 2.027 1169 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 1169 L C 2.082 178.960 176.870 0.013 0.000 1.074 1169 L CA 0.896 55.670 54.840 -0.109 0.000 0.745 1169 L CB -0.424 41.487 42.059 -0.246 0.000 0.898 1169 L HN 0.188 nan 8.230 nan 0.000 0.433 1170 F N 0.316 120.304 119.950 0.063 0.000 2.171 1170 F HA -0.194 4.331 4.527 -0.002 0.000 0.300 1170 F C 2.772 178.644 175.800 0.120 0.000 1.090 1170 F CA 1.311 59.377 58.000 0.110 0.000 1.293 1170 F CB -0.835 38.155 39.000 -0.016 0.000 1.013 1170 F HN -0.026 nan 8.300 nan 0.000 0.486 1171 S N -0.297 115.536 115.700 0.222 0.000 2.399 1171 S HA -0.155 4.314 4.470 -0.001 0.000 0.231 1171 S C 2.013 176.634 174.600 0.034 0.000 1.022 1171 S CA 0.837 59.101 58.200 0.106 0.000 0.983 1171 S CB -0.207 63.027 63.200 0.056 0.000 0.803 1171 S HN 0.289 nan 8.310 nan 0.000 0.480 1172 K N 0.541 120.924 120.400 -0.029 0.000 2.147 1172 K HA -0.033 4.286 4.320 -0.001 0.000 0.205 1172 K C 1.541 177.969 176.600 -0.285 0.000 1.049 1172 K CA 1.044 57.219 56.287 -0.188 0.000 0.936 1172 K CB -0.387 31.927 32.500 -0.310 0.000 0.722 1172 K HN 0.413 nan 8.250 nan 0.000 0.446 1173 F N 1.070 120.939 119.950 -0.135 0.000 2.118 1173 F HA -0.147 4.380 4.527 -0.001 0.000 0.293 1173 F C 2.900 178.541 175.800 -0.264 0.000 1.102 1173 F CA 1.622 59.411 58.000 -0.352 0.000 1.247 1173 F CB -1.081 37.477 39.000 -0.738 0.000 1.017 1173 F HN 0.087 nan 8.300 nan 0.000 0.475 1174 T N -2.737 111.851 114.554 0.057 0.000 2.857 1174 T HA 0.134 4.484 4.350 -0.001 0.000 0.266 1174 T C 2.008 176.767 174.700 0.098 0.000 1.048 1174 T CA 0.950 63.133 62.100 0.139 0.000 1.139 1174 T CB -0.792 68.139 68.868 0.104 0.000 0.874 1174 T HN 0.515 nan 8.240 nan 0.000 0.455 1175 G N 1.673 110.504 108.800 0.053 0.000 2.175 1175 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.265 1175 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.265 1175 G C -0.048 174.873 174.900 0.036 0.000 0.979 1175 G CA 0.271 45.389 45.100 0.031 0.000 0.663 1175 G HN 0.708 nan 8.290 nan 0.000 0.533 1176 N N -0.827 117.901 118.700 0.046 0.000 2.336 1176 N HA 0.550 5.290 4.740 -0.001 0.000 0.290 1176 N C -1.068 174.474 175.510 0.054 0.000 1.058 1176 N CA -0.254 52.826 53.050 0.050 0.000 0.865 1176 N CB 2.667 41.191 38.487 0.060 0.000 1.581 1176 N HN 0.106 nan 8.380 nan 0.000 0.480 1177 V N 1.600 121.548 119.914 0.057 0.000 2.709 1177 V HA 0.460 4.580 4.120 -0.001 0.000 0.308 1177 V C -0.243 175.910 176.094 0.099 0.000 1.062 1177 V CA -0.786 61.556 62.300 0.070 0.000 0.901 1177 V CB 2.411 34.260 31.823 0.043 0.000 1.003 1177 V HN 0.318 nan 8.190 nan 0.000 0.425 1178 V N 4.423 124.415 119.914 0.129 0.000 2.398 1178 V HA 0.398 4.518 4.120 -0.001 0.000 0.286 1178 V C -1.076 175.150 176.094 0.219 0.000 1.026 1178 V CA -0.676 61.720 62.300 0.160 0.000 0.868 1178 V CB 1.521 33.437 31.823 0.154 0.000 0.982 1178 V HN 0.750 nan 8.190 nan 0.000 0.443 1179 Y N 4.965 125.295 120.300 0.050 0.000 2.342 1179 Y HA 0.585 5.135 4.550 -0.001 0.000 0.338 1179 Y C -0.141 175.781 175.900 0.037 0.000 0.965 1179 Y CA -0.935 57.189 58.100 0.040 0.000 1.159 1179 Y CB 1.590 40.069 38.460 0.032 0.000 1.157 1179 Y HN 0.408 nan 8.280 nan 0.000 0.486 1180 V N 6.954 126.792 119.914 -0.127 0.000 2.465 1180 V HA 0.404 4.524 4.120 -0.001 0.000 0.279 1180 V C -0.502 175.400 176.094 -0.319 0.000 1.045 1180 V CA -0.716 61.495 62.300 -0.149 0.000 0.938 1180 V CB 1.289 33.081 31.823 -0.052 0.000 0.986 1180 V HN 0.507 nan 8.190 nan 0.000 0.467 1181 V N 4.249 124.028 119.914 -0.226 0.000 2.443 1181 V HA 0.333 4.452 4.120 -0.001 0.000 0.293 1181 V C 0.062 176.077 176.094 -0.132 0.000 1.021 1181 V CA -0.843 61.324 62.300 -0.222 0.000 0.848 1181 V CB 1.806 33.518 31.823 -0.185 0.000 0.998 1181 V HN 0.883 nan 8.190 nan 0.000 0.424 1182 N N 3.311 121.939 118.700 -0.119 0.000 2.400 1182 N HA 0.003 4.743 4.740 -0.001 0.000 0.267 1182 N C 1.485 176.949 175.510 -0.075 0.000 1.208 1182 N CA 0.691 53.687 53.050 -0.091 0.000 0.951 1182 N CB 1.257 39.696 38.487 -0.080 0.000 1.227 1182 N HN 0.770 nan 8.380 nan 0.000 0.488 1183 S N 2.603 118.261 115.700 -0.071 0.000 2.442 1183 S HA -0.114 4.355 4.470 -0.001 0.000 0.236 1183 S C 1.220 175.792 174.600 -0.047 0.000 1.007 1183 S CA 0.854 59.021 58.200 -0.055 0.000 0.965 1183 S CB -0.177 62.992 63.200 -0.051 0.000 0.773 1183 S HN 0.672 nan 8.310 nan 0.000 0.504 1184 E N 1.120 121.289 120.200 -0.053 0.000 2.208 1184 E HA 0.059 4.408 4.350 -0.001 0.000 0.193 1184 E C 0.080 176.657 176.600 -0.037 0.000 0.988 1184 E CA 0.551 56.924 56.400 -0.045 0.000 0.828 1184 E CB 0.015 29.684 29.700 -0.052 0.000 0.763 1184 E HN 0.566 nan 8.360 nan 0.000 0.478 1185 N N 0.513 119.189 118.700 -0.040 0.000 2.699 1185 N HA 0.077 4.816 4.740 -0.001 0.000 0.271 1185 N C -2.079 173.410 175.510 -0.035 0.000 1.216 1185 N CA -0.446 52.585 53.050 -0.033 0.000 0.844 1185 N CB 0.498 38.967 38.487 -0.031 0.000 1.462 1185 N HN 0.093 nan 8.380 nan 0.000 0.555 1186 N N 0.775 119.458 118.700 -0.028 0.000 2.859 1186 N HA 0.318 5.058 4.740 -0.001 0.000 0.250 1186 N C -2.068 173.434 175.510 -0.013 0.000 1.341 1186 N CA -0.961 52.074 53.050 -0.025 0.000 0.881 1186 N CB 0.950 39.414 38.487 -0.039 0.000 1.516 1186 N HN 0.191 nan 8.380 nan 0.000 0.503 1187 N N 0.425 119.122 118.700 -0.005 0.000 2.417 1187 N HA 0.189 4.929 4.740 -0.001 0.000 0.274 1187 N C 0.345 175.862 175.510 0.011 0.000 0.987 1187 N CA -0.593 52.458 53.050 0.003 0.000 0.912 1187 N CB 1.577 40.067 38.487 0.005 0.000 1.177 1187 N HN 0.842 nan 8.380 nan 0.000 0.490 1188 K N 2.787 123.194 120.400 0.012 0.000 2.103 1188 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 1188 K C 0.256 176.874 176.600 0.031 0.000 1.048 1188 K CA 1.213 57.513 56.287 0.022 0.000 0.930 1188 K CB 0.086 32.596 32.500 0.017 0.000 0.716 1188 K HN 0.400 nan 8.250 nan 0.000 0.444 1189 D N 1.602 122.016 120.400 0.024 0.000 2.117 1189 D HA -0.127 4.512 4.640 -0.001 0.000 0.198 1189 D C 1.854 178.174 176.300 0.034 0.000 0.982 1189 D CA 1.227 55.242 54.000 0.026 0.000 0.828 1189 D CB -0.063 40.748 40.800 0.017 0.000 0.967 1189 D HN 0.475 nan 8.370 nan 0.000 0.464 1190 E N 0.502 120.723 120.200 0.034 0.000 2.072 1190 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 1190 E C 2.375 179.021 176.600 0.077 0.000 0.985 1190 E CA 0.524 56.950 56.400 0.044 0.000 0.801 1190 E CB 0.115 29.834 29.700 0.031 0.000 0.750 1190 E HN 0.076 nan 8.360 nan 0.000 0.452 1191 V N 1.721 121.683 119.914 0.080 0.000 2.343 1191 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 1191 V C 2.383 178.597 176.094 0.200 0.000 1.051 1191 V CA 1.867 64.255 62.300 0.147 0.000 1.036 1191 V CB -0.419 31.454 31.823 0.083 0.000 0.654 1191 V HN 0.185 nan 8.190 nan 0.000 0.451 1192 K N 0.421 120.887 120.400 0.111 0.000 2.057 1192 K HA -0.257 4.062 4.320 -0.001 0.000 0.207 1192 K C 2.227 178.856 176.600 0.049 0.000 1.049 1192 K CA 1.711 58.044 56.287 0.075 0.000 0.931 1192 K CB -0.111 32.416 32.500 0.045 0.000 0.714 1192 K HN 0.270 nan 8.250 nan 0.000 0.440 1193 K N 0.321 120.752 120.400 0.051 0.000 2.057 1193 K HA -0.075 4.245 4.320 -0.001 0.000 0.207 1193 K C 1.900 178.517 176.600 0.027 0.000 1.049 1193 K CA 1.931 58.237 56.287 0.031 0.000 0.931 1193 K CB -0.877 31.642 32.500 0.032 0.000 0.714 1193 K HN 0.284 nan 8.250 nan 0.000 0.440 1194 G N 1.056 109.904 108.800 0.079 0.000 2.418 1194 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.217 1194 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.217 1194 G C 1.515 176.334 174.900 -0.134 0.000 1.158 1194 G CA 1.108 46.257 45.100 0.081 0.000 0.771 1194 G HN 0.443 nan 8.290 nan 0.000 0.545 1195 K N 0.659 120.927 120.400 -0.218 0.000 2.032 1195 K HA -0.150 4.169 4.320 -0.001 0.000 0.209 1195 K C 2.348 178.825 176.600 -0.205 0.000 1.048 1195 K CA 1.755 57.807 56.287 -0.393 0.000 0.927 1195 K CB -0.271 32.106 32.500 -0.205 0.000 0.712 1195 K HN 0.418 nan 8.250 nan 0.000 0.441 1196 E N 0.672 120.811 120.200 -0.103 0.000 2.077 1196 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 1196 E C 2.176 178.736 176.600 -0.067 0.000 0.989 1196 E CA 1.258 57.618 56.400 -0.067 0.000 0.800 1196 E CB -0.092 29.587 29.700 -0.035 0.000 0.746 1196 E HN 0.301 nan 8.360 nan 0.000 0.452 1197 L N 0.703 121.888 121.223 -0.063 0.000 2.046 1197 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 1197 L C 2.350 179.181 176.870 -0.066 0.000 1.077 1197 L CA 0.566 55.376 54.840 -0.050 0.000 0.747 1197 L CB -0.305 41.737 42.059 -0.028 0.000 0.896 1197 L HN 0.212 nan 8.230 nan 0.000 0.432 1198 I N 0.003 120.510 120.570 -0.106 0.000 2.179 1198 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 1198 I C 2.483 178.547 176.117 -0.088 0.000 1.088 1198 I CA 1.585 62.820 61.300 -0.109 0.000 1.357 1198 I CB -1.009 36.874 38.000 -0.193 0.000 1.051 1198 I HN 0.361 nan 8.210 nan 0.000 0.409 1199 E N 0.777 120.918 120.200 -0.099 0.000 2.153 1199 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 1199 E C 2.150 178.718 176.600 -0.052 0.000 0.988 1199 E CA 1.152 57.510 56.400 -0.070 0.000 0.811 1199 E CB -0.095 29.564 29.700 -0.069 0.000 0.746 1199 E HN 0.457 nan 8.360 nan 0.000 0.466 1200 A N 1.303 124.092 122.820 -0.052 0.000 2.172 1200 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 1200 A C 2.294 179.851 177.584 -0.044 0.000 1.154 1200 A CA 1.583 53.594 52.037 -0.043 0.000 0.701 1200 A CB -0.716 18.261 19.000 -0.039 0.000 0.789 1200 A HN 0.355 nan 8.150 nan 0.000 0.465 1201 T N -4.691 109.835 114.554 -0.048 0.000 3.085 1201 T HA 0.338 4.687 4.350 -0.001 0.000 0.263 1201 T C 1.560 176.229 174.700 -0.052 0.000 1.127 1201 T CA 1.216 63.285 62.100 -0.052 0.000 1.103 1201 T CB -0.092 68.748 68.868 -0.047 0.000 0.921 1201 T HN 1.589 nan 8.240 nan 0.000 0.510 1202 G N 1.153 109.927 108.800 -0.044 0.000 2.195 1202 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.246 1202 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.246 1202 G C 0.373 175.255 174.900 -0.030 0.000 0.984 1202 G CA -0.045 45.033 45.100 -0.038 0.000 0.633 1202 G HN 1.206 nan 8.290 nan 0.000 0.525 1203 A N 0.179 122.981 122.820 -0.030 0.000 2.425 1203 A HA 0.578 4.898 4.320 -0.001 0.000 0.242 1203 A C 0.638 178.214 177.584 -0.012 0.000 1.077 1203 A CA 0.853 52.880 52.037 -0.015 0.000 0.781 1203 A CB 0.346 19.342 19.000 -0.008 0.000 1.020 1203 A HN 0.630 nan 8.150 nan 0.000 0.494 1204 K N 1.750 122.151 120.400 0.002 0.000 2.297 1204 K HA 0.339 4.658 4.320 -0.001 0.000 0.286 1204 K C -0.904 175.701 176.600 0.008 0.000 1.053 1204 K CA -0.176 56.115 56.287 0.006 0.000 0.940 1204 K CB 0.298 32.809 32.500 0.020 0.000 1.019 1204 K HN 0.647 nan 8.250 nan 0.000 0.475 1205 L N 7.449 128.669 121.223 -0.005 0.000 2.334 1205 L HA 0.102 4.441 4.340 -0.001 0.000 0.286 1205 L C 1.018 177.905 176.870 0.029 0.000 1.108 1205 L CA -0.276 54.562 54.840 -0.003 0.000 0.875 1205 L CB 0.378 42.405 42.059 -0.053 0.000 1.246 1205 L HN 0.885 nan 8.230 nan 0.000 0.439 1206 L N 4.413 125.667 121.223 0.053 0.000 2.042 1206 L HA -0.014 4.325 4.340 -0.001 0.000 0.210 1206 L C 1.151 178.063 176.870 0.069 0.000 1.076 1206 L CA 1.200 56.080 54.840 0.066 0.000 0.749 1206 L CB -0.508 41.603 42.059 0.087 0.000 0.893 1206 L HN 0.803 nan 8.230 nan 0.000 0.432 1207 G N -2.012 106.839 108.800 0.085 0.000 2.324 1207 G HA2 0.296 4.256 3.960 -0.001 0.000 0.293 1207 G HA3 0.296 4.256 3.960 -0.001 0.000 0.293 1207 G C -1.903 173.073 174.900 0.126 0.000 1.297 1207 G CA -0.720 44.434 45.100 0.090 0.000 0.853 1207 G HN -0.281 nan 8.290 nan 0.000 0.535 1208 V N -0.143 119.837 119.914 0.110 0.000 2.547 1208 V HA 0.614 4.734 4.120 -0.001 0.000 0.299 1208 V C 0.067 176.194 176.094 0.056 0.000 1.040 1208 V CA -0.664 61.701 62.300 0.109 0.000 0.913 1208 V CB 1.639 33.520 31.823 0.097 0.000 0.992 1208 V HN 0.674 nan 8.190 nan 0.000 0.449 1209 V N 6.279 126.216 119.914 0.037 0.000 2.328 1209 V HA 0.370 4.489 4.120 -0.001 0.000 0.278 1209 V C 0.016 176.089 176.094 -0.034 0.000 1.021 1209 V CA -0.418 61.882 62.300 -0.000 0.000 0.838 1209 V CB 1.270 33.103 31.823 0.017 0.000 0.999 1209 V HN 0.606 nan 8.190 nan 0.000 0.447 1210 L N 4.904 126.099 121.223 -0.045 0.000 2.367 1210 L HA 0.373 4.712 4.340 -0.001 0.000 0.275 1210 L C 0.264 177.090 176.870 -0.073 0.000 1.129 1210 L CA 0.265 55.070 54.840 -0.058 0.000 0.839 1210 L CB 0.696 42.727 42.059 -0.047 0.000 1.133 1210 L HN 0.630 nan 8.230 nan 0.000 0.453 1211 N N 2.119 120.771 118.700 -0.081 0.000 2.328 1211 N HA 0.430 5.170 4.740 -0.001 0.000 0.299 1211 N C -0.429 175.013 175.510 -0.112 0.000 1.179 1211 N CA -0.663 52.328 53.050 -0.097 0.000 0.793 1211 N CB 1.295 39.729 38.487 -0.087 0.000 1.366 1211 N HN 0.426 nan 8.380 nan 0.000 0.493 1212 R N -0.060 120.348 120.500 -0.155 0.000 3.641 1212 R HA -0.156 4.183 4.340 -0.001 0.000 0.286 1212 R C -0.260 175.981 176.300 -0.098 0.000 1.153 1212 R CA 0.427 56.434 56.100 -0.156 0.000 0.775 1212 R CB -1.440 28.773 30.300 -0.145 0.000 1.215 1212 R HN 0.521 nan 8.270 nan 0.000 0.474 1213 M N 0.183 119.735 119.600 -0.081 0.000 2.248 1213 M HA 0.037 4.517 4.480 -0.001 0.000 0.337 1213 M C -0.999 175.277 176.300 -0.039 0.000 1.121 1213 M CA -1.650 53.618 55.300 -0.053 0.000 1.155 1213 M CB 0.067 32.639 32.600 -0.046 0.000 1.514 1213 M HN -0.185 nan 8.290 nan 0.000 0.452 1214 P HA -0.020 nan 4.420 nan 0.000 0.216 1214 P C -0.103 177.191 177.300 -0.010 0.000 1.153 1214 P CA 1.445 64.533 63.100 -0.019 0.000 0.844 1214 P CB 0.435 32.125 31.700 -0.016 0.000 0.787 1215 K N 0.000 120.394 120.400 -0.011 0.000 2.780 1215 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1215 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 1215 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1215 K HN 0.000 nan 8.250 nan 0.000 0.543