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 2z2m_1_E DATA FIRST_RESID 254 DATA SEQUENCE RTMDGKDVYT TISSPLQSFM ETQMDAFQEK VKGKYMTATL VSAKTGEILA DATA SEQUENCE TTQRPTFDAD TKEGITEDFV WRDILYQSNY EPGSTMKVMM LAAAIDNNTF DATA SEQUENCE PGGEVFNSSE LKIADATIRD WDVXXXXXGG RMMTFSQGFA HSSNVGMTLL DATA SEQUENCE EQKMGDATWL DYLNRFKFGV PTRFGLTDEY AGQLPADNIV NIAQSSFGQG DATA SEQUENCE ISVTQTQMIR AFTAIANDGV MLEPKFISAI YDPNDQTARK SQKEIVGNPV DATA SEQUENCE SKDAASLTRT NMVLVGTDPV YGTMYNHSTG KPTVTVPGQN VALKSGTAQI DATA SEQUENCE ADEKNGGYLV GLTDYIFSAV SMSPAENPDF ILYVTVQQPE HYSGIQLGEF DATA SEQUENCE ANPILERASA MKDSLNL 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 254 R HA 0.000 nan 4.340 nan 0.000 0.208 254 R C 0.000 176.297 176.300 -0.005 0.000 0.893 254 R CA 0.000 56.097 56.100 -0.004 0.000 0.921 254 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 255 T N 5.459 120.010 114.554 -0.004 0.000 2.737 255 T HA 0.343 4.694 4.350 0.001 0.000 0.296 255 T C -0.095 174.601 174.700 -0.007 0.000 0.922 255 T CA 0.051 62.148 62.100 -0.004 0.000 1.079 255 T CB 0.217 69.084 68.868 -0.002 0.000 0.892 255 T HN 0.208 nan 8.240 nan 0.000 0.514 256 M N 3.745 123.340 119.600 -0.009 0.000 2.101 256 M HA 0.299 4.780 4.480 0.001 0.000 0.340 256 M C -0.131 176.161 176.300 -0.013 0.000 1.057 256 M CA -0.912 54.380 55.300 -0.014 0.000 0.984 256 M CB 1.161 33.750 32.600 -0.018 0.000 1.560 256 M HN 0.405 nan 8.290 nan 0.000 0.435 257 D N 2.225 122.616 120.400 -0.014 0.000 2.399 257 D HA 0.233 4.874 4.640 0.001 0.000 0.241 257 D C 0.762 177.054 176.300 -0.014 0.000 1.133 257 D CA 0.532 54.527 54.000 -0.009 0.000 0.890 257 D CB 0.965 41.764 40.800 -0.003 0.000 1.201 257 D HN 0.753 nan 8.370 nan 0.000 0.432 258 G N 1.243 110.040 108.800 -0.004 0.000 2.554 258 G HA2 0.097 4.058 3.960 0.001 0.000 0.238 258 G HA3 0.097 4.058 3.960 0.001 0.000 0.238 258 G C 0.015 174.913 174.900 -0.003 0.000 1.259 258 G CA -0.375 44.724 45.100 -0.002 0.000 0.843 258 G HN 0.296 nan 8.290 nan 0.000 0.582 259 K N 0.863 121.262 120.400 -0.001 0.000 2.185 259 K HA 0.172 4.493 4.320 0.001 0.000 0.271 259 K C -0.632 175.997 176.600 0.049 0.000 1.013 259 K CA -0.455 55.836 56.287 0.007 0.000 0.943 259 K CB 0.853 33.355 32.500 0.003 0.000 0.998 259 K HN 0.360 nan 8.250 nan 0.000 0.468 260 D N 1.566 122.031 120.400 0.108 0.000 2.308 260 D HA 0.106 4.747 4.640 0.001 0.000 0.251 260 D C -0.694 175.677 176.300 0.118 0.000 1.127 260 D CA -0.206 53.853 54.000 0.100 0.000 0.876 260 D CB 1.232 42.130 40.800 0.162 0.000 1.176 260 D HN 0.014 nan 8.370 nan 0.000 0.446 261 V N 4.042 123.973 119.914 0.028 0.000 2.333 261 V HA 0.141 4.262 4.120 0.001 0.000 0.274 261 V C -0.537 175.564 176.094 0.012 0.000 1.028 261 V CA -0.715 61.632 62.300 0.079 0.000 0.851 261 V CB 0.037 31.909 31.823 0.083 0.000 1.000 261 V HN 0.365 nan 8.190 nan 0.000 0.456 262 Y N 3.492 123.838 120.300 0.076 0.000 2.365 262 Y HA 0.413 4.964 4.550 0.001 0.000 0.340 262 Y C 1.289 177.232 175.900 0.072 0.000 1.016 262 Y CA -0.287 57.853 58.100 0.066 0.000 1.196 262 Y CB 1.230 39.719 38.460 0.048 0.000 1.167 262 Y HN 0.764 nan 8.280 nan 0.000 0.509 263 T N -2.443 112.225 114.554 0.191 0.000 2.810 263 T HA 0.165 4.516 4.350 0.001 0.000 0.277 263 T C 1.236 176.041 174.700 0.174 0.000 0.973 263 T CA -0.055 62.157 62.100 0.186 0.000 0.949 263 T CB 1.101 70.078 68.868 0.181 0.000 1.075 263 T HN 0.647 nan 8.240 nan 0.000 0.537 264 T N -1.577 113.083 114.554 0.175 0.000 3.081 264 T HA 0.239 4.589 4.350 0.001 0.000 0.255 264 T C 1.000 175.792 174.700 0.153 0.000 1.113 264 T CA -0.378 61.815 62.100 0.155 0.000 1.082 264 T CB -0.247 68.718 68.868 0.161 0.000 0.939 264 T HN 0.501 nan 8.240 nan 0.000 0.506 265 I N 3.251 123.913 120.570 0.155 0.000 2.683 265 I HA 0.102 4.273 4.170 0.001 0.000 0.286 265 I C 0.715 176.900 176.117 0.114 0.000 1.175 265 I CA 0.077 61.457 61.300 0.134 0.000 1.429 265 I CB 0.518 38.591 38.000 0.121 0.000 1.371 265 I HN 0.266 nan 8.210 nan 0.000 0.569 266 S N 4.584 120.348 115.700 0.105 0.000 2.410 266 S HA 0.176 4.647 4.470 0.001 0.000 0.304 266 S C 1.308 175.953 174.600 0.074 0.000 1.095 266 S CA -0.358 57.895 58.200 0.088 0.000 1.089 266 S CB 0.620 63.871 63.200 0.085 0.000 0.968 266 S HN 0.692 nan 8.310 nan 0.000 0.480 267 S N 5.630 121.369 115.700 0.066 0.000 2.382 267 S HA -0.017 4.454 4.470 0.001 0.000 0.228 267 S C -1.077 173.555 174.600 0.054 0.000 1.027 267 S CA 0.912 59.145 58.200 0.056 0.000 0.991 267 S CB -1.769 61.459 63.200 0.046 0.000 0.823 267 S HN 0.624 nan 8.310 nan 0.000 0.469 268 P HA 0.030 nan 4.420 nan 0.000 0.217 268 P C 1.509 178.849 177.300 0.066 0.000 1.150 268 P CA 0.788 63.909 63.100 0.034 0.000 0.832 268 P CB -0.140 31.564 31.700 0.006 0.000 0.787 269 L N -1.128 120.133 121.223 0.064 0.000 2.072 269 L HA -0.169 4.172 4.340 0.001 0.000 0.205 269 L C 2.744 179.671 176.870 0.094 0.000 1.079 269 L CA 1.329 56.219 54.840 0.083 0.000 0.752 269 L CB -0.768 41.314 42.059 0.038 0.000 0.906 269 L HN -0.047 nan 8.230 nan 0.000 0.436 270 Q N 0.365 120.213 119.800 0.079 0.000 2.046 270 Q HA -0.184 4.156 4.340 0.001 0.000 0.200 270 Q C 2.312 178.353 176.000 0.069 0.000 0.975 270 Q CA 2.348 58.192 55.803 0.070 0.000 0.836 270 Q CB -0.182 28.596 28.738 0.067 0.000 0.896 270 Q HN 0.520 nan 8.270 nan 0.000 0.428 271 S N -0.762 114.988 115.700 0.082 0.000 2.423 271 S HA -0.100 4.370 4.470 0.001 0.000 0.231 271 S C 1.777 176.459 174.600 0.136 0.000 1.014 271 S CA 0.785 59.036 58.200 0.085 0.000 0.965 271 S CB -0.633 62.610 63.200 0.072 0.000 0.785 271 S HN 0.452 nan 8.310 nan 0.000 0.495 272 F N 2.078 122.013 119.950 -0.025 0.000 2.206 272 F HA 0.261 4.789 4.527 0.002 0.000 0.298 272 F C 2.218 177.985 175.800 -0.055 0.000 1.090 272 F CA 0.895 58.867 58.000 -0.046 0.000 1.323 272 F CB -0.502 38.455 39.000 -0.072 0.000 1.028 272 F HN 0.220 nan 8.300 nan 0.000 0.492 273 M N -0.061 119.455 119.600 -0.140 0.000 2.159 273 M HA -0.196 4.285 4.480 0.001 0.000 0.263 273 M C 2.018 178.290 176.300 -0.047 0.000 1.063 273 M CA 1.729 56.917 55.300 -0.186 0.000 1.110 273 M CB -0.268 32.309 32.600 -0.038 0.000 1.374 273 M HN 0.005 nan 8.290 nan 0.000 0.411 274 E N 0.220 120.420 120.200 -0.000 0.000 2.058 274 E HA -0.188 4.162 4.350 0.001 0.000 0.194 274 E C 2.046 178.660 176.600 0.024 0.000 0.997 274 E CA 2.260 58.677 56.400 0.027 0.000 0.801 274 E CB -0.932 28.782 29.700 0.023 0.000 0.746 274 E HN 0.715 nan 8.360 nan 0.000 0.450 275 T N -0.540 114.014 114.554 -0.001 0.000 2.904 275 T HA -0.082 4.269 4.350 0.001 0.000 0.267 275 T C 1.814 176.497 174.700 -0.028 0.000 1.059 275 T CA 0.691 62.796 62.100 0.008 0.000 1.137 275 T CB -0.022 68.880 68.868 0.057 0.000 0.879 275 T HN -0.047 nan 8.240 nan 0.000 0.467 276 Q N 0.295 119.987 119.800 -0.180 0.000 2.084 276 Q HA -0.001 4.340 4.340 0.001 0.000 0.202 276 Q C 2.305 178.490 176.000 0.309 0.000 0.978 276 Q CA 1.342 57.054 55.803 -0.151 0.000 0.844 276 Q CB -0.471 27.861 28.738 -0.675 0.000 0.898 276 Q HN 0.486 nan 8.270 nan 0.000 0.426 277 M N 1.441 121.272 119.600 0.385 0.000 2.132 277 M HA -0.125 4.356 4.480 0.001 0.000 0.263 277 M C 1.040 177.446 176.300 0.176 0.000 1.065 277 M CA 1.565 57.089 55.300 0.373 0.000 1.122 277 M CB -0.461 32.295 32.600 0.260 0.000 1.365 277 M HN -0.023 nan 8.290 nan 0.000 0.411 278 D N 0.254 120.722 120.400 0.114 0.000 2.092 278 D HA -0.130 4.510 4.640 0.001 0.000 0.193 278 D C 1.990 178.339 176.300 0.082 0.000 0.994 278 D CA 2.030 56.070 54.000 0.066 0.000 0.828 278 D CB -0.542 40.285 40.800 0.045 0.000 0.963 278 D HN 0.475 nan 8.370 nan 0.000 0.450 279 A N 0.687 123.573 122.820 0.109 0.000 1.883 279 A HA -0.206 4.115 4.320 0.001 0.000 0.217 279 A C 2.137 179.836 177.584 0.192 0.000 1.186 279 A CA 1.106 53.212 52.037 0.116 0.000 0.624 279 A CB -0.995 18.061 19.000 0.094 0.000 0.822 279 A HN 0.210 nan 8.150 nan 0.000 0.444 280 F N 0.746 120.722 119.950 0.043 0.000 2.095 280 F HA -0.221 4.307 4.527 0.001 0.000 0.298 280 F C 2.430 178.206 175.800 -0.041 0.000 1.104 280 F CA 2.023 60.020 58.000 -0.006 0.000 1.232 280 F CB -0.975 37.962 39.000 -0.104 0.000 0.987 280 F HN 0.475 nan 8.300 nan 0.000 0.475 281 Q N -0.275 119.513 119.800 -0.020 0.000 2.167 281 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 281 Q C 2.099 178.071 176.000 -0.047 0.000 0.970 281 Q CA 1.458 57.182 55.803 -0.132 0.000 0.855 281 Q CB -0.109 28.560 28.738 -0.115 0.000 0.911 281 Q HN 0.272 nan 8.270 nan 0.000 0.438 282 E N 0.852 121.061 120.200 0.014 0.000 2.051 282 E HA -0.168 4.183 4.350 0.001 0.000 0.192 282 E C 1.821 178.445 176.600 0.039 0.000 0.991 282 E CA 1.232 57.646 56.400 0.023 0.000 0.799 282 E CB 0.055 29.774 29.700 0.032 0.000 0.748 282 E HN 0.412 nan 8.360 nan 0.000 0.449 283 K N 0.266 120.707 120.400 0.067 0.000 1.984 283 K HA -0.102 4.219 4.320 0.001 0.000 0.209 283 K C 2.277 178.935 176.600 0.095 0.000 1.046 283 K CA 1.827 58.159 56.287 0.075 0.000 0.934 283 K CB -0.274 32.294 32.500 0.113 0.000 0.717 283 K HN 0.146 nan 8.250 nan 0.000 0.438 284 V N -1.921 118.030 119.914 0.063 0.000 3.174 284 V HA 0.109 4.230 4.120 0.001 0.000 0.254 284 V C 0.070 176.171 176.094 0.012 0.000 1.120 284 V CA -0.051 62.282 62.300 0.056 0.000 1.114 284 V CB -0.344 31.467 31.823 -0.021 0.000 0.756 284 V HN 0.218 nan 8.190 nan 0.000 0.467 285 K N 1.301 121.677 120.400 -0.040 0.000 3.393 285 K HA -0.125 4.196 4.320 0.001 0.000 0.272 285 K C 0.527 177.064 176.600 -0.105 0.000 1.004 285 K CA 0.964 57.214 56.287 -0.062 0.000 0.764 285 K CB -2.045 30.442 32.500 -0.022 0.000 1.373 285 K HN 0.913 nan 8.250 nan 0.000 0.458 286 G N 0.543 109.248 108.800 -0.159 0.000 2.476 286 G HA2 0.221 4.182 3.960 0.001 0.000 0.269 286 G HA3 0.221 4.182 3.960 0.001 0.000 0.269 286 G C 1.028 175.818 174.900 -0.184 0.000 1.195 286 G CA -0.312 44.689 45.100 -0.165 0.000 0.843 286 G HN 0.268 nan 8.290 nan 0.000 0.545 287 K N 0.222 120.514 120.400 -0.180 0.000 1.991 287 K HA 0.018 4.339 4.320 0.001 0.000 0.207 287 K C -0.293 175.993 176.600 -0.523 0.000 1.045 287 K CA 0.957 57.059 56.287 -0.308 0.000 0.937 287 K CB -0.094 32.279 32.500 -0.212 0.000 0.720 287 K HN 0.528 nan 8.250 nan 0.000 0.438 288 Y N -0.512 119.699 120.300 -0.148 0.000 2.485 288 Y HA 0.470 5.021 4.550 0.001 0.000 0.345 288 Y C -0.399 175.383 175.900 -0.197 0.000 0.998 288 Y CA -0.953 57.048 58.100 -0.166 0.000 1.059 288 Y CB 2.019 40.374 38.460 -0.175 0.000 1.234 288 Y HN -0.091 nan 8.280 nan 0.000 0.461 289 M N 2.173 121.748 119.600 -0.042 0.000 2.421 289 M HA 0.512 4.993 4.480 0.001 0.000 0.287 289 M C -1.144 175.087 176.300 -0.116 0.000 1.183 289 M CA -0.541 54.672 55.300 -0.146 0.000 0.916 289 M CB 2.972 35.422 32.600 -0.251 0.000 1.701 289 M HN 0.759 nan 8.290 nan 0.000 0.470 290 T N -0.337 114.131 114.554 -0.143 0.000 2.896 290 T HA 0.987 5.338 4.350 0.001 0.000 0.297 290 T C -1.265 173.396 174.700 -0.065 0.000 1.108 290 T CA -0.865 61.175 62.100 -0.099 0.000 1.004 290 T CB 2.317 71.103 68.868 -0.136 0.000 1.159 290 T HN 0.945 nan 8.240 nan 0.000 0.499 291 A N 1.255 124.096 122.820 0.034 0.000 2.491 291 A HA 0.704 5.025 4.320 0.001 0.000 0.293 291 A C -0.576 177.109 177.584 0.169 0.000 1.047 291 A CA -0.812 51.312 52.037 0.145 0.000 0.735 291 A CB 1.430 20.630 19.000 0.333 0.000 1.281 291 A HN 0.948 nan 8.150 nan 0.000 0.398 292 T N 2.258 116.933 114.554 0.202 0.000 2.881 292 T HA 0.561 4.912 4.350 0.001 0.000 0.290 292 T C -1.072 173.768 174.700 0.233 0.000 1.000 292 T CA -0.304 61.928 62.100 0.219 0.000 0.978 292 T CB 1.285 70.299 68.868 0.243 0.000 0.997 292 T HN 0.840 nan 8.240 nan 0.000 0.443 293 L N 4.635 125.975 121.223 0.194 0.000 2.305 293 L HA 0.811 5.152 4.340 0.001 0.000 0.284 293 L C -1.174 175.826 176.870 0.217 0.000 1.013 293 L CA -0.402 54.549 54.840 0.184 0.000 0.819 293 L CB 1.077 43.199 42.059 0.105 0.000 1.227 293 L HN 0.476 nan 8.230 nan 0.000 0.417 294 V N 3.476 123.541 119.914 0.251 0.000 2.735 294 V HA 0.437 4.558 4.120 0.001 0.000 0.310 294 V C -0.018 176.233 176.094 0.261 0.000 1.061 294 V CA -0.717 61.728 62.300 0.242 0.000 0.913 294 V CB 2.076 34.033 31.823 0.223 0.000 1.005 294 V HN 0.792 nan 8.190 nan 0.000 0.428 295 S N 3.097 118.924 115.700 0.212 0.000 2.443 295 S HA 0.318 4.789 4.470 0.001 0.000 0.284 295 S C 1.357 175.995 174.600 0.064 0.000 1.206 295 S CA 0.098 58.371 58.200 0.123 0.000 1.074 295 S CB 0.795 64.053 63.200 0.097 0.000 0.963 295 S HN 1.022 nan 8.310 nan 0.000 0.501 296 A N 6.033 128.859 122.820 0.010 0.000 1.940 296 A HA -0.097 4.224 4.320 0.001 0.000 0.219 296 A C 2.067 179.657 177.584 0.011 0.000 1.176 296 A CA 1.436 53.486 52.037 0.022 0.000 0.631 296 A CB -0.281 18.713 19.000 -0.010 0.000 0.814 296 A HN 0.868 nan 8.150 nan 0.000 0.446 297 K N -1.290 119.094 120.400 -0.027 0.000 2.361 297 K HA -0.002 4.319 4.320 0.001 0.000 0.196 297 K C 1.506 178.108 176.600 0.002 0.000 1.039 297 K CA 1.317 57.592 56.287 -0.019 0.000 1.001 297 K CB 0.140 32.611 32.500 -0.048 0.000 0.795 297 K HN 0.702 nan 8.250 nan 0.000 0.495 298 T N -4.635 109.928 114.554 0.016 0.000 2.975 298 T HA 0.202 4.553 4.350 0.001 0.000 0.261 298 T C 1.325 176.055 174.700 0.050 0.000 0.984 298 T CA 0.378 62.495 62.100 0.028 0.000 0.911 298 T CB 0.890 69.774 68.868 0.027 0.000 1.127 298 T HN 0.197 nan 8.240 nan 0.000 0.514 299 G N 1.647 110.488 108.800 0.069 0.000 2.162 299 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 299 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 299 G C -0.248 174.725 174.900 0.123 0.000 0.976 299 G CA 0.203 45.360 45.100 0.095 0.000 0.655 299 G HN 0.682 nan 8.290 nan 0.000 0.533 300 E N -0.292 119.980 120.200 0.119 0.000 2.338 300 E HA 0.414 4.765 4.350 0.001 0.000 0.272 300 E C 0.558 177.267 176.600 0.183 0.000 1.029 300 E CA -0.499 55.987 56.400 0.142 0.000 0.872 300 E CB 0.943 30.714 29.700 0.117 0.000 1.015 300 E HN 0.381 nan 8.360 nan 0.000 0.417 301 I N 4.954 125.655 120.570 0.219 0.000 2.347 301 I HA -0.050 4.121 4.170 0.001 0.000 0.294 301 I C 1.073 177.313 176.117 0.204 0.000 1.090 301 I CA 0.122 61.560 61.300 0.231 0.000 1.314 301 I CB 0.282 38.449 38.000 0.279 0.000 1.423 301 I HN 0.503 nan 8.210 nan 0.000 0.503 302 L N 6.224 127.562 121.223 0.192 0.000 2.209 302 L HA 0.272 4.613 4.340 0.001 0.000 0.207 302 L C 0.935 177.888 176.870 0.139 0.000 1.094 302 L CA 0.369 55.310 54.840 0.168 0.000 0.790 302 L CB -0.151 42.019 42.059 0.184 0.000 0.932 302 L HN 0.706 nan 8.230 nan 0.000 0.447 303 A N -1.171 121.734 122.820 0.140 0.000 2.540 303 A HA 0.637 4.958 4.320 0.001 0.000 0.297 303 A C -0.804 176.862 177.584 0.137 0.000 1.056 303 A CA -0.284 51.824 52.037 0.119 0.000 0.700 303 A CB 1.728 20.779 19.000 0.085 0.000 1.280 303 A HN -0.134 nan 8.150 nan 0.000 0.398 304 T N 0.372 115.002 114.554 0.128 0.000 2.956 304 T HA 0.778 5.129 4.350 0.001 0.000 0.312 304 T C -1.111 173.653 174.700 0.107 0.000 1.151 304 T CA 0.123 62.304 62.100 0.135 0.000 1.024 304 T CB 1.763 70.725 68.868 0.156 0.000 1.140 304 T HN 1.378 nan 8.240 nan 0.000 0.473 305 T N 2.620 117.235 114.554 0.103 0.000 2.885 305 T HA 0.651 5.002 4.350 0.001 0.000 0.322 305 T C -2.011 172.721 174.700 0.052 0.000 1.387 305 T CA -0.612 61.532 62.100 0.074 0.000 1.041 305 T CB 1.716 70.634 68.868 0.083 0.000 1.287 305 T HN 0.885 nan 8.240 nan 0.000 0.491 306 Q N 2.271 122.089 119.800 0.031 0.000 2.456 306 Q HA 0.808 5.149 4.340 0.001 0.000 0.283 306 Q C -1.395 174.610 176.000 0.009 0.000 1.084 306 Q CA -1.319 54.490 55.803 0.010 0.000 0.801 306 Q CB 1.856 30.597 28.738 0.006 0.000 1.434 306 Q HN 0.283 nan 8.270 nan 0.000 0.419 307 R N 1.188 121.682 120.500 -0.011 0.000 2.599 307 R HA 0.585 4.926 4.340 0.001 0.000 0.295 307 R C -2.683 173.598 176.300 -0.031 0.000 0.963 307 R CA -2.155 53.930 56.100 -0.025 0.000 0.883 307 R CB 1.592 31.847 30.300 -0.075 0.000 1.171 307 R HN 0.610 nan 8.270 nan 0.000 0.450 308 P HA 0.236 nan 4.420 nan 0.000 0.284 308 P C -0.287 177.114 177.300 0.169 0.000 1.253 308 P CA -0.234 62.874 63.100 0.013 0.000 0.800 308 P CB 1.443 33.132 31.700 -0.019 0.000 0.961 309 T N 1.349 116.007 114.554 0.173 0.000 2.768 309 T HA 0.839 5.190 4.350 0.001 0.000 0.268 309 T C -1.225 173.599 174.700 0.206 0.000 0.969 309 T CA -0.569 61.649 62.100 0.197 0.000 1.008 309 T CB 0.358 69.225 68.868 -0.001 0.000 1.371 309 T HN 0.367 nan 8.240 nan 0.000 0.587 310 F N -0.449 119.460 119.950 -0.067 0.000 2.686 310 F HA 0.623 5.151 4.527 0.001 0.000 0.311 310 F C -1.203 174.554 175.800 -0.072 0.000 1.128 310 F CA -1.347 56.555 58.000 -0.164 0.000 0.946 310 F CB 0.799 39.558 39.000 -0.401 0.000 1.336 310 F HN 0.350 nan 8.300 nan 0.000 0.457 311 D N 1.402 121.846 120.400 0.072 0.000 2.316 311 D HA 0.406 5.047 4.640 0.001 0.000 0.245 311 D C 0.767 177.170 176.300 0.171 0.000 1.171 311 D CA 0.260 54.273 54.000 0.022 0.000 0.856 311 D CB 2.016 42.839 40.800 0.037 0.000 1.090 311 D HN 0.842 nan 8.370 nan 0.000 0.476 312 A N 3.832 126.690 122.820 0.062 0.000 2.066 312 A HA -0.128 4.193 4.320 0.001 0.000 0.218 312 A C 1.692 179.370 177.584 0.157 0.000 1.157 312 A CA 0.938 53.107 52.037 0.221 0.000 0.670 312 A CB 0.062 19.129 19.000 0.112 0.000 0.804 312 A HN 0.576 nan 8.150 nan 0.000 0.453 313 D N -0.624 119.829 120.400 0.088 0.000 2.144 313 D HA -0.093 4.548 4.640 0.001 0.000 0.207 313 D C 2.228 178.565 176.300 0.062 0.000 0.970 313 D CA 2.121 56.159 54.000 0.064 0.000 0.853 313 D CB -0.006 40.817 40.800 0.038 0.000 1.007 313 D HN 0.431 nan 8.370 nan 0.000 0.469 314 T N -2.889 111.701 114.554 0.060 0.000 3.057 314 T HA 0.119 4.470 4.350 0.001 0.000 0.254 314 T C 0.870 175.601 174.700 0.052 0.000 1.094 314 T CA 0.204 62.331 62.100 0.046 0.000 1.088 314 T CB 0.229 69.116 68.868 0.032 0.000 0.934 314 T HN 0.001 nan 8.240 nan 0.000 0.497 315 K N 0.273 120.725 120.400 0.087 0.000 3.512 315 K HA -0.154 4.167 4.320 0.001 0.000 0.309 315 K C -0.020 176.600 176.600 0.033 0.000 1.350 315 K CA 0.855 57.188 56.287 0.076 0.000 0.960 315 K CB -2.003 30.517 32.500 0.032 0.000 1.290 315 K HN 0.787 nan 8.250 nan 0.000 0.454 316 E N 0.372 120.596 120.200 0.041 0.000 2.376 316 E HA 0.257 4.608 4.350 0.001 0.000 0.266 316 E C 1.243 177.848 176.600 0.008 0.000 1.009 316 E CA 1.151 57.559 56.400 0.013 0.000 0.902 316 E CB 0.224 29.933 29.700 0.015 0.000 0.972 316 E HN 0.372 nan 8.360 nan 0.000 0.439 317 G N 4.307 113.083 108.800 -0.040 0.000 2.278 317 G HA2 -0.238 3.723 3.960 0.001 0.000 0.210 317 G HA3 -0.238 3.723 3.960 0.001 0.000 0.210 317 G C 0.361 175.113 174.900 -0.247 0.000 1.000 317 G CA -0.080 44.978 45.100 -0.070 0.000 0.635 317 G HN 0.589 nan 8.290 nan 0.000 0.495 318 I N 4.142 124.498 120.570 -0.358 0.000 2.455 318 I HA 0.224 4.395 4.170 0.001 0.000 0.303 318 I C 1.574 177.578 176.117 -0.188 0.000 1.180 318 I CA 0.574 61.541 61.300 -0.555 0.000 1.469 318 I CB -0.293 37.436 38.000 -0.452 0.000 1.480 318 I HN 0.381 nan 8.210 nan 0.000 0.669 319 T N 0.438 114.951 114.554 -0.070 0.000 2.754 319 T HA 0.164 4.515 4.350 0.001 0.000 0.286 319 T C 1.107 175.850 174.700 0.072 0.000 0.997 319 T CA -0.582 61.536 62.100 0.029 0.000 0.982 319 T CB 1.143 70.050 68.868 0.065 0.000 1.027 319 T HN 0.515 nan 8.240 nan 0.000 0.529 320 E N 0.715 120.950 120.200 0.058 0.000 2.110 320 E HA -0.137 4.214 4.350 0.001 0.000 0.193 320 E C 1.227 177.878 176.600 0.084 0.000 0.988 320 E CA 1.399 57.838 56.400 0.065 0.000 0.804 320 E CB -0.120 29.605 29.700 0.041 0.000 0.745 320 E HN 0.848 nan 8.360 nan 0.000 0.458 321 D N -0.156 120.289 120.400 0.074 0.000 2.342 321 D HA -0.073 4.568 4.640 0.001 0.000 0.221 321 D C 0.044 176.371 176.300 0.046 0.000 1.101 321 D CA -0.460 53.573 54.000 0.055 0.000 0.837 321 D CB -0.647 40.165 40.800 0.021 0.000 0.938 321 D HN -0.055 nan 8.370 nan 0.000 0.508 322 F N 1.560 121.456 119.950 -0.090 0.000 2.612 322 F HA 0.078 4.605 4.527 0.002 0.000 0.389 322 F C 0.058 175.702 175.800 -0.261 0.000 1.055 322 F CA -0.108 57.754 58.000 -0.229 0.000 1.232 322 F CB 0.619 39.393 39.000 -0.376 0.000 1.044 322 F HN -0.238 nan 8.300 nan 0.000 0.560 323 V N 7.398 126.845 119.914 -0.778 0.000 2.407 323 V HA -0.018 4.103 4.120 0.001 0.000 0.278 323 V C -0.541 175.142 176.094 -0.685 0.000 1.037 323 V CA -0.651 61.358 62.300 -0.484 0.000 0.900 323 V CB 0.968 32.609 31.823 -0.304 0.000 0.983 323 V HN 0.770 nan 8.190 nan 0.000 0.459 324 W N 5.520 126.736 121.300 -0.139 0.000 1.518 324 W HA 0.457 5.118 4.660 0.001 0.000 0.426 324 W C 0.787 177.265 176.519 -0.069 0.000 0.675 324 W CA -0.277 57.050 57.345 -0.030 0.000 1.936 324 W CB 0.017 29.505 29.460 0.047 0.000 1.749 324 W HN 0.352 nan 8.180 nan 0.000 0.247 325 R N 1.858 122.324 120.500 -0.055 0.000 2.514 325 R HA 0.120 4.461 4.340 0.001 0.000 0.296 325 R C -1.256 174.927 176.300 -0.195 0.000 1.012 325 R CA -0.611 55.404 56.100 -0.142 0.000 0.897 325 R CB 1.386 31.563 30.300 -0.204 0.000 1.184 325 R HN -0.055 nan 8.270 nan 0.000 0.440 326 D N 5.588 125.831 120.400 -0.262 0.000 2.313 326 D HA 0.114 4.755 4.640 0.001 0.000 0.239 326 D C 1.456 177.541 176.300 -0.358 0.000 1.142 326 D CA -0.425 53.428 54.000 -0.245 0.000 0.847 326 D CB 1.032 41.736 40.800 -0.161 0.000 1.082 326 D HN 0.645 nan 8.370 nan 0.000 0.480 327 I N 1.565 121.996 120.570 -0.232 0.000 3.550 327 I HA -0.034 4.137 4.170 0.001 0.000 0.295 327 I C 1.669 177.708 176.117 -0.129 0.000 1.291 327 I CA -0.114 61.043 61.300 -0.239 0.000 1.298 327 I CB -0.154 37.686 38.000 -0.267 0.000 1.026 327 I HN 0.226 nan 8.210 nan 0.000 0.491 328 L N 2.109 123.310 121.223 -0.037 0.000 2.093 328 L HA -0.142 4.199 4.340 0.001 0.000 0.208 328 L C 1.780 178.763 176.870 0.188 0.000 1.085 328 L CA 1.957 56.875 54.840 0.130 0.000 0.755 328 L CB -0.547 41.678 42.059 0.276 0.000 0.904 328 L HN 0.608 nan 8.230 nan 0.000 0.435 329 Y N -3.675 116.624 120.300 -0.001 0.000 2.791 329 Y HA 0.462 5.012 4.550 0.001 0.000 0.263 329 Y C 0.623 176.484 175.900 -0.064 0.000 1.089 329 Y CA -0.590 57.512 58.100 0.004 0.000 1.253 329 Y CB -0.807 37.697 38.460 0.073 0.000 1.360 329 Y HN 0.180 nan 8.280 nan 0.000 0.569 330 Q N 0.977 120.419 119.800 -0.597 0.000 2.129 330 Q HA 0.382 4.723 4.340 0.001 0.000 0.274 330 Q C -0.547 174.751 176.000 -1.170 0.000 0.854 330 Q CA -0.191 54.947 55.803 -1.107 0.000 1.123 330 Q CB 1.422 29.591 28.738 -0.948 0.000 1.226 330 Q HN 0.211 nan 8.270 nan 0.000 0.454 331 S N 0.995 116.381 115.700 -0.522 0.000 2.677 331 S HA 0.370 4.841 4.470 0.001 0.000 0.283 331 S C -1.321 173.374 174.600 0.157 0.000 1.159 331 S CA -0.670 57.417 58.200 -0.188 0.000 1.001 331 S CB 0.653 63.747 63.200 -0.176 0.000 1.032 331 S HN 0.188 nan 8.310 nan 0.000 0.487 332 N N 4.180 123.030 118.700 0.249 0.000 2.419 332 N HA 0.448 5.189 4.740 0.001 0.000 0.264 332 N C -0.916 174.727 175.510 0.223 0.000 1.031 332 N CA 0.001 53.185 53.050 0.222 0.000 0.951 332 N CB 0.901 39.502 38.487 0.190 0.000 1.101 332 N HN 0.718 nan 8.380 nan 0.000 0.488 333 Y N -1.603 118.717 120.300 0.033 0.000 2.597 333 Y HA 0.455 5.006 4.550 0.001 0.000 0.340 333 Y C -0.468 175.448 175.900 0.026 0.000 1.097 333 Y CA -1.298 56.813 58.100 0.017 0.000 1.037 333 Y CB 0.815 39.272 38.460 -0.005 0.000 1.305 333 Y HN 0.218 nan 8.280 nan 0.000 0.463 334 E N 4.173 124.426 120.200 0.088 0.000 2.257 334 E HA 0.126 4.476 4.350 0.001 0.000 0.278 334 E C -1.812 174.839 176.600 0.085 0.000 1.049 334 E CA -1.712 54.697 56.400 0.014 0.000 0.876 334 E CB 1.103 30.858 29.700 0.091 0.000 1.035 334 E HN 0.524 nan 8.360 nan 0.000 0.419 335 P HA -0.089 nan 4.420 nan 0.000 0.222 335 P C 0.871 178.286 177.300 0.192 0.000 1.153 335 P CA 1.068 64.231 63.100 0.104 0.000 0.798 335 P CB 0.306 31.973 31.700 -0.055 0.000 0.796 336 G N 0.348 109.218 108.800 0.117 0.000 2.552 336 G HA2 -0.307 3.654 3.960 0.001 0.000 0.265 336 G HA3 -0.307 3.654 3.960 0.001 0.000 0.265 336 G C 1.066 176.064 174.900 0.163 0.000 1.234 336 G CA 0.381 45.568 45.100 0.146 0.000 0.944 336 G HN 0.186 nan 8.290 nan 0.000 0.568 337 S N 0.736 116.537 115.700 0.169 0.000 2.507 337 S HA -0.010 4.461 4.470 0.001 0.000 0.235 337 S C 2.520 177.207 174.600 0.146 0.000 0.988 337 S CA 2.199 60.492 58.200 0.153 0.000 0.944 337 S CB -0.443 62.816 63.200 0.098 0.000 0.762 337 S HN 1.490 nan 8.310 nan 0.000 0.526 338 T N -0.526 114.143 114.554 0.192 0.000 3.035 338 T HA 0.007 4.358 4.350 0.001 0.000 0.268 338 T C 1.597 176.448 174.700 0.251 0.000 1.109 338 T CA 0.736 62.986 62.100 0.249 0.000 1.119 338 T CB -0.398 68.696 68.868 0.376 0.000 0.900 338 T HN 0.247 nan 8.240 nan 0.000 0.503 339 M N 1.479 121.169 119.600 0.149 0.000 2.358 339 M HA 0.099 4.580 4.480 0.001 0.000 0.264 339 M C 1.874 178.244 176.300 0.116 0.000 1.064 339 M CA 1.292 56.629 55.300 0.062 0.000 1.093 339 M CB -0.602 31.985 32.600 -0.021 0.000 1.401 339 M HN 0.156 nan 8.290 nan 0.000 0.440 340 K N -0.994 119.504 120.400 0.165 0.000 2.209 340 K HA -0.097 4.224 4.320 0.001 0.000 0.204 340 K C 1.731 178.503 176.600 0.286 0.000 1.048 340 K CA 1.318 57.729 56.287 0.207 0.000 0.940 340 K CB -0.354 32.293 32.500 0.244 0.000 0.729 340 K HN 0.275 nan 8.250 nan 0.000 0.451 341 V N 1.101 121.202 119.914 0.311 0.000 2.287 341 V HA -0.290 3.831 4.120 0.001 0.000 0.248 341 V C 2.161 178.296 176.094 0.069 0.000 1.053 341 V CA 1.761 64.208 62.300 0.245 0.000 1.027 341 V CB -0.359 31.640 31.823 0.293 0.000 0.646 341 V HN 0.285 nan 8.190 nan 0.000 0.447 342 M N -1.173 118.439 119.600 0.020 0.000 2.175 342 M HA -0.094 4.386 4.480 0.001 0.000 0.264 342 M C 2.041 178.371 176.300 0.050 0.000 1.063 342 M CA 1.835 57.041 55.300 -0.158 0.000 1.119 342 M CB -0.788 31.555 32.600 -0.429 0.000 1.377 342 M HN 0.374 nan 8.290 nan 0.000 0.415 343 M N -0.254 119.367 119.600 0.034 0.000 2.132 343 M HA -0.109 4.372 4.480 0.001 0.000 0.263 343 M C 1.826 177.968 176.300 -0.264 0.000 1.065 343 M CA 1.630 56.787 55.300 -0.239 0.000 1.122 343 M CB -0.611 31.722 32.600 -0.445 0.000 1.365 343 M HN 0.260 nan 8.290 nan 0.000 0.411 344 L N 0.447 121.521 121.223 -0.247 0.000 2.017 344 L HA 0.020 4.361 4.340 0.001 0.000 0.208 344 L C 2.321 178.947 176.870 -0.407 0.000 1.073 344 L CA 2.302 56.865 54.840 -0.462 0.000 0.745 344 L CB -1.394 40.235 42.059 -0.716 0.000 0.894 344 L HN 0.340 nan 8.230 nan 0.000 0.432 345 A N -0.457 122.229 122.820 -0.223 0.000 1.902 345 A HA -0.084 4.237 4.320 0.001 0.000 0.217 345 A C 2.464 179.962 177.584 -0.143 0.000 1.181 345 A CA 1.847 53.819 52.037 -0.108 0.000 0.623 345 A CB -1.220 17.835 19.000 0.092 0.000 0.818 345 A HN 0.594 nan 8.150 nan 0.000 0.443 346 A N 0.052 122.762 122.820 -0.184 0.000 1.865 346 A HA 0.075 4.396 4.320 0.001 0.000 0.217 346 A C 2.554 179.818 177.584 -0.533 0.000 1.191 346 A CA 2.483 54.104 52.037 -0.692 0.000 0.623 346 A CB -1.210 17.511 19.000 -0.465 0.000 0.826 346 A HN 1.136 nan 8.150 nan 0.000 0.444 347 A N -0.074 122.555 122.820 -0.319 0.000 1.883 347 A HA -0.151 4.170 4.320 0.001 0.000 0.217 347 A C 2.154 179.679 177.584 -0.099 0.000 1.186 347 A CA 1.740 53.658 52.037 -0.197 0.000 0.624 347 A CB -0.724 18.151 19.000 -0.208 0.000 0.822 347 A HN 0.530 nan 8.150 nan 0.000 0.444 348 I N -0.525 119.958 120.570 -0.145 0.000 2.179 348 I HA -0.258 3.913 4.170 0.001 0.000 0.242 348 I C 2.281 178.395 176.117 -0.005 0.000 1.088 348 I CA 1.951 63.228 61.300 -0.038 0.000 1.357 348 I CB -0.518 37.419 38.000 -0.105 0.000 1.051 348 I HN 0.380 nan 8.210 nan 0.000 0.409 349 D N 0.934 121.314 120.400 -0.033 0.000 2.182 349 D HA -0.249 4.392 4.640 0.001 0.000 0.201 349 D C 1.736 178.108 176.300 0.119 0.000 0.986 349 D CA 1.177 55.209 54.000 0.054 0.000 0.847 349 D CB -0.099 40.763 40.800 0.104 0.000 0.942 349 D HN 0.153 nan 8.370 nan 0.000 0.467 350 N N -0.337 118.422 118.700 0.099 0.000 2.322 350 N HA 0.020 4.761 4.740 0.001 0.000 0.194 350 N C -0.577 174.983 175.510 0.084 0.000 1.126 350 N CA 0.122 53.264 53.050 0.154 0.000 0.845 350 N CB -0.297 38.314 38.487 0.206 0.000 0.976 350 N HN 0.118 nan 8.380 nan 0.000 0.475 351 N N -1.498 117.238 118.700 0.060 0.000 2.693 351 N HA -0.195 4.546 4.740 0.001 0.000 0.249 351 N C -0.813 174.712 175.510 0.025 0.000 1.119 351 N CA 1.272 54.349 53.050 0.044 0.000 0.717 351 N CB -1.490 37.020 38.487 0.038 0.000 1.071 351 N HN 0.401 nan 8.380 nan 0.000 0.555 352 T N -3.493 111.072 114.554 0.020 0.000 3.308 352 T HA 0.305 4.656 4.350 0.001 0.000 0.270 352 T C -0.513 174.163 174.700 -0.039 0.000 0.992 352 T CA -0.546 61.537 62.100 -0.027 0.000 0.931 352 T CB -0.239 68.609 68.868 -0.034 0.000 1.142 352 T HN 0.260 nan 8.240 nan 0.000 0.525 353 F N 3.642 123.486 119.950 -0.177 0.000 2.451 353 F HA 0.489 5.017 4.527 0.002 0.000 0.367 353 F C -2.604 173.110 175.800 -0.142 0.000 1.100 353 F CA -2.919 54.949 58.000 -0.221 0.000 1.171 353 F CB 1.646 40.538 39.000 -0.180 0.000 1.405 353 F HN -0.034 nan 8.300 nan 0.000 0.482 354 P HA 0.238 nan 4.420 nan 0.000 0.238 354 P C 1.106 178.072 177.300 -0.557 0.000 1.794 354 P CA 0.030 62.886 63.100 -0.406 0.000 1.088 354 P CB 0.663 32.258 31.700 -0.174 0.000 1.923 355 G N 2.776 111.010 108.800 -0.943 0.000 2.547 355 G HA2 -0.287 3.674 3.960 0.001 0.000 0.221 355 G HA3 -0.287 3.674 3.960 0.001 0.000 0.221 355 G C 1.382 176.154 174.900 -0.214 0.000 1.140 355 G CA 0.906 45.519 45.100 -0.811 0.000 0.760 355 G HN 0.521 nan 8.290 nan 0.000 0.583 356 G N -0.527 108.198 108.800 -0.126 0.000 2.939 356 G HA2 0.210 4.171 3.960 0.001 0.000 0.210 356 G HA3 0.210 4.171 3.960 0.001 0.000 0.210 356 G C 0.527 175.420 174.900 -0.011 0.000 1.160 356 G CA 0.110 45.185 45.100 -0.042 0.000 0.770 356 G HN 0.518 nan 8.290 nan 0.000 0.543 357 E N 0.724 120.950 120.200 0.043 0.000 2.384 357 E HA 0.292 4.642 4.350 0.001 0.000 0.266 357 E C -0.405 176.218 176.600 0.039 0.000 1.012 357 E CA -0.375 56.086 56.400 0.101 0.000 0.901 357 E CB 0.963 30.797 29.700 0.223 0.000 0.967 357 E HN -0.084 nan 8.360 nan 0.000 0.435 358 V N 5.392 125.277 119.914 -0.048 0.000 2.743 358 V HA 0.389 4.510 4.120 0.001 0.000 0.301 358 V C -0.184 175.805 176.094 -0.174 0.000 1.057 358 V CA -0.106 62.083 62.300 -0.186 0.000 1.006 358 V CB 0.652 32.374 31.823 -0.167 0.000 1.024 358 V HN 0.599 nan 8.190 nan 0.000 0.473 359 F N 1.474 121.169 119.950 -0.424 0.000 2.643 359 F HA 0.537 5.065 4.527 0.001 0.000 0.314 359 F C -0.667 174.988 175.800 -0.241 0.000 1.096 359 F CA -1.298 56.482 58.000 -0.366 0.000 0.953 359 F CB 1.715 40.325 39.000 -0.650 0.000 1.345 359 F HN 0.403 nan 8.300 nan 0.000 0.468 360 N N 0.510 119.218 118.700 0.013 0.000 2.419 360 N HA 0.267 5.008 4.740 0.001 0.000 0.264 360 N C 0.354 175.924 175.510 0.101 0.000 1.031 360 N CA 0.015 53.036 53.050 -0.049 0.000 0.951 360 N CB 1.171 39.659 38.487 0.001 0.000 1.101 360 N HN 0.811 nan 8.380 nan 0.000 0.488 361 S N 1.143 116.810 115.700 -0.055 0.000 2.575 361 S HA -0.002 4.469 4.470 0.001 0.000 0.215 361 S C 0.575 175.187 174.600 0.020 0.000 0.966 361 S CA -0.553 57.693 58.200 0.077 0.000 0.911 361 S CB -0.257 62.929 63.200 -0.023 0.000 0.780 361 S HN 0.524 nan 8.310 nan 0.000 0.514 362 S N 1.311 117.006 115.700 -0.008 0.000 2.593 362 S HA 0.251 4.722 4.470 0.001 0.000 0.269 362 S C -0.120 174.462 174.600 -0.030 0.000 1.334 362 S CA -0.764 57.418 58.200 -0.030 0.000 1.015 362 S CB 0.054 63.236 63.200 -0.029 0.000 0.912 362 S HN 0.530 nan 8.310 nan 0.000 0.541 363 E N 0.596 120.760 120.200 -0.060 0.000 2.604 363 E HA -0.013 4.338 4.350 0.001 0.000 0.267 363 E C -0.763 175.818 176.600 -0.032 0.000 0.970 363 E CA 0.480 56.838 56.400 -0.070 0.000 0.956 363 E CB 0.050 29.704 29.700 -0.076 0.000 0.939 363 E HN 0.459 nan 8.360 nan 0.000 0.465 364 L N 3.714 124.921 121.223 -0.027 0.000 2.280 364 L HA 0.283 4.624 4.340 0.001 0.000 0.287 364 L C 0.176 177.051 176.870 0.009 0.000 1.023 364 L CA -0.639 54.202 54.840 0.002 0.000 0.819 364 L CB 1.009 43.077 42.059 0.015 0.000 1.212 364 L HN 0.290 nan 8.230 nan 0.000 0.420 365 K N 5.111 125.519 120.400 0.013 0.000 2.312 365 K HA 0.490 4.811 4.320 0.001 0.000 0.287 365 K C -0.686 175.932 176.600 0.030 0.000 1.062 365 K CA -0.035 56.264 56.287 0.021 0.000 0.934 365 K CB 1.235 33.746 32.500 0.018 0.000 1.027 365 K HN 0.488 nan 8.250 nan 0.000 0.478 366 I N 3.145 123.739 120.570 0.040 0.000 2.439 366 I HA 0.162 4.333 4.170 0.001 0.000 0.283 366 I C 0.564 176.706 176.117 0.041 0.000 1.023 366 I CA -0.224 61.101 61.300 0.043 0.000 1.100 366 I CB 1.419 39.450 38.000 0.053 0.000 1.238 366 I HN 0.935 nan 8.210 nan 0.000 0.445 367 A N 5.875 128.715 122.820 0.033 0.000 5.236 367 A HA -0.319 4.002 4.320 0.001 0.000 0.326 367 A C 1.371 178.973 177.584 0.030 0.000 1.825 367 A CA 1.787 53.842 52.037 0.030 0.000 0.710 367 A CB -1.329 17.689 19.000 0.030 0.000 1.383 367 A HN 0.873 nan 8.150 nan 0.000 0.386 368 D N 1.095 121.514 120.400 0.032 0.000 2.340 368 D HA 0.447 5.087 4.640 0.001 0.000 0.220 368 D C 0.617 176.942 176.300 0.041 0.000 1.039 368 D CA 1.110 55.129 54.000 0.032 0.000 0.866 368 D CB -0.154 40.662 40.800 0.028 0.000 0.913 368 D HN 1.262 nan 8.370 nan 0.000 0.523 369 A N 0.100 122.949 122.820 0.049 0.000 2.346 369 A HA 0.659 4.980 4.320 0.001 0.000 0.313 369 A C -0.538 177.082 177.584 0.059 0.000 1.140 369 A CA -0.545 51.531 52.037 0.064 0.000 0.826 369 A CB 1.819 20.868 19.000 0.083 0.000 1.332 369 A HN 0.036 nan 8.150 nan 0.000 0.457 370 T N 1.206 115.799 114.554 0.066 0.000 2.881 370 T HA 0.490 4.841 4.350 0.001 0.000 0.291 370 T C -0.675 174.044 174.700 0.032 0.000 0.990 370 T CA 0.065 62.186 62.100 0.035 0.000 0.976 370 T CB 0.608 69.483 68.868 0.012 0.000 0.970 370 T HN 0.425 nan 8.240 nan 0.000 0.438 371 I N 3.563 124.137 120.570 0.008 0.000 2.304 371 I HA 0.404 4.574 4.170 0.001 0.000 0.291 371 I C 0.548 176.540 176.117 -0.208 0.000 1.018 371 I CA -0.448 60.827 61.300 -0.042 0.000 1.260 371 I CB 0.758 38.786 38.000 0.048 0.000 1.390 371 I HN 0.281 nan 8.210 nan 0.000 0.475 372 R N 4.097 124.366 120.500 -0.385 0.000 2.589 372 R HA 0.404 4.745 4.340 0.001 0.000 0.293 372 R C -1.117 174.742 176.300 -0.734 0.000 0.963 372 R CA -0.980 54.766 56.100 -0.590 0.000 0.905 372 R CB 1.636 31.391 30.300 -0.909 0.000 1.144 372 R HN 0.435 nan 8.270 nan 0.000 0.459 373 D N 0.505 120.584 120.400 -0.534 0.000 2.304 373 D HA 0.063 4.704 4.640 0.001 0.000 0.247 373 D C 0.144 176.128 176.300 -0.526 0.000 1.089 373 D CA 0.014 53.764 54.000 -0.417 0.000 0.910 373 D CB 0.719 41.428 40.800 -0.151 0.000 1.199 373 D HN 0.497 nan 8.370 nan 0.000 0.426 374 W N -0.196 121.065 121.300 -0.064 0.000 3.114 374 W HA 0.046 4.707 4.660 0.001 0.000 0.279 374 W C 1.667 178.172 176.519 -0.024 0.000 1.277 374 W CA -0.364 56.953 57.345 -0.047 0.000 1.630 374 W CB 0.363 29.782 29.460 -0.068 0.000 1.087 374 W HN 0.417 nan 8.180 nan 0.000 0.637 375 D N 0.366 120.851 120.400 0.141 0.000 2.178 375 D HA -0.155 4.486 4.640 0.001 0.000 0.201 375 D C 1.629 177.995 176.300 0.111 0.000 0.980 375 D CA 0.978 55.060 54.000 0.136 0.000 0.842 375 D CB -0.214 40.717 40.800 0.217 0.000 0.948 375 D HN -0.195 nan 8.370 nan 0.000 0.472 383 G N 0.568 109.340 108.800 -0.046 0.000 2.265 383 G HA2 0.336 4.297 3.960 0.001 0.000 0.240 383 G HA3 0.336 4.297 3.960 0.001 0.000 0.240 383 G C 0.522 175.392 174.900 -0.049 0.000 1.270 383 G CA -0.132 44.940 45.100 -0.047 0.000 0.901 383 G HN 0.759 nan 8.290 nan 0.000 0.507 384 R N 2.763 123.241 120.500 -0.037 0.000 2.537 384 R HA 0.182 4.523 4.340 0.001 0.000 0.280 384 R C 0.969 177.212 176.300 -0.095 0.000 1.058 384 R CA -0.338 55.731 56.100 -0.051 0.000 1.057 384 R CB 0.237 30.522 30.300 -0.025 0.000 0.973 384 R HN 0.491 nan 8.270 nan 0.000 0.438 385 M N 5.858 125.362 119.600 -0.160 0.000 2.251 385 M HA 0.030 4.511 4.480 0.001 0.000 0.343 385 M C 0.367 176.437 176.300 -0.383 0.000 1.245 385 M CA 0.802 55.927 55.300 -0.292 0.000 1.061 385 M CB 0.621 33.047 32.600 -0.289 0.000 1.723 385 M HN 0.573 nan 8.290 nan 0.000 0.449 386 M N 1.409 120.643 119.600 -0.610 0.000 2.288 386 M HA 0.442 4.923 4.480 0.001 0.000 0.334 386 M C 0.285 176.200 176.300 -0.642 0.000 1.150 386 M CA -0.814 54.077 55.300 -0.681 0.000 1.118 386 M CB 0.556 32.658 32.600 -0.830 0.000 1.501 386 M HN 0.671 nan 8.290 nan 0.000 0.462 387 T N -1.302 113.024 114.554 -0.380 0.000 2.828 387 T HA 0.288 4.639 4.350 0.001 0.000 0.290 387 T C 0.552 175.270 174.700 0.030 0.000 1.019 387 T CA -0.345 61.651 62.100 -0.174 0.000 1.031 387 T CB 0.484 69.304 68.868 -0.081 0.000 1.001 387 T HN 0.550 nan 8.240 nan 0.000 0.531 388 F N 0.686 120.757 119.950 0.203 0.000 2.171 388 F HA -0.026 4.501 4.527 0.001 0.000 0.300 388 F C 3.089 179.094 175.800 0.342 0.000 1.090 388 F CA 1.467 59.622 58.000 0.259 0.000 1.293 388 F CB -0.926 38.087 39.000 0.021 0.000 1.013 388 F HN 0.578 nan 8.300 nan 0.000 0.486 389 S N -0.353 115.600 115.700 0.422 0.000 2.359 389 S HA -0.275 4.196 4.470 0.001 0.000 0.224 389 S C 1.951 176.747 174.600 0.326 0.000 1.035 389 S CA 1.566 60.026 58.200 0.433 0.000 1.018 389 S CB -0.459 62.908 63.200 0.279 0.000 0.876 389 S HN 0.475 nan 8.310 nan 0.000 0.448 390 Q N 0.129 120.006 119.800 0.129 0.000 2.167 390 Q HA -0.016 4.325 4.340 0.001 0.000 0.202 390 Q C 2.485 178.506 176.000 0.035 0.000 0.970 390 Q CA 1.096 56.859 55.803 -0.066 0.000 0.855 390 Q CB -0.461 27.929 28.738 -0.581 0.000 0.911 390 Q HN 0.628 nan 8.270 nan 0.000 0.438 391 G N 0.598 109.517 108.800 0.198 0.000 2.421 391 G HA2 -0.291 3.670 3.960 0.001 0.000 0.216 391 G HA3 -0.291 3.670 3.960 0.001 0.000 0.216 391 G C 1.154 176.251 174.900 0.327 0.000 1.171 391 G CA 0.562 45.876 45.100 0.356 0.000 0.775 391 G HN 0.331 nan 8.290 nan 0.000 0.543 392 F N 2.484 122.565 119.950 0.220 0.000 2.069 392 F HA -0.032 4.495 4.527 0.001 0.000 0.298 392 F C 2.828 178.721 175.800 0.156 0.000 1.113 392 F CA 1.677 59.773 58.000 0.160 0.000 1.214 392 F CB -0.452 38.629 39.000 0.133 0.000 0.978 392 F HN 0.225 nan 8.300 nan 0.000 0.474 393 A N -1.379 121.564 122.820 0.205 0.000 1.978 393 A HA -0.279 4.042 4.320 0.001 0.000 0.220 393 A C 1.760 179.427 177.584 0.138 0.000 1.170 393 A CA 2.010 54.122 52.037 0.126 0.000 0.636 393 A CB -1.211 17.939 19.000 0.249 0.000 0.810 393 A HN 0.657 nan 8.150 nan 0.000 0.448 394 H N -0.945 118.174 119.070 0.082 0.000 2.539 394 H HA 0.251 4.808 4.556 0.001 0.000 0.269 394 H C 0.773 176.131 175.328 0.050 0.000 0.980 394 H CA 0.452 56.563 56.048 0.106 0.000 1.152 394 H CB -0.172 29.692 29.762 0.169 0.000 1.407 394 H HN 0.335 nan 8.280 nan 0.000 0.564 395 S N -0.100 115.581 115.700 -0.032 0.000 3.628 395 S HA -0.238 4.233 4.470 0.001 0.000 0.373 395 S C 0.070 174.657 174.600 -0.021 0.000 0.968 395 S CA 0.575 58.729 58.200 -0.078 0.000 1.215 395 S CB -1.746 61.391 63.200 -0.105 0.000 0.912 395 S HN 0.570 nan 8.310 nan 0.000 0.495 396 S N 1.174 116.919 115.700 0.074 0.000 2.455 396 S HA 0.333 4.804 4.470 0.001 0.000 0.278 396 S C 1.383 175.965 174.600 -0.030 0.000 1.216 396 S CA -0.568 57.680 58.200 0.081 0.000 1.055 396 S CB 0.324 63.688 63.200 0.274 0.000 0.939 396 S HN 0.617 nan 8.310 nan 0.000 0.494 397 N N 4.237 122.818 118.700 -0.199 0.000 2.142 397 N HA -0.103 4.637 4.740 0.001 0.000 0.186 397 N C 1.781 177.114 175.510 -0.295 0.000 1.023 397 N CA 0.981 53.751 53.050 -0.467 0.000 0.852 397 N CB -0.516 37.336 38.487 -1.060 0.000 0.998 397 N HN 0.464 nan 8.380 nan 0.000 0.424 398 V N 1.037 120.834 119.914 -0.195 0.000 2.295 398 V HA -0.159 3.962 4.120 0.001 0.000 0.246 398 V C 2.488 178.494 176.094 -0.148 0.000 1.049 398 V CA 2.063 64.306 62.300 -0.096 0.000 1.024 398 V CB -1.300 30.523 31.823 -0.001 0.000 0.648 398 V HN 0.339 nan 8.190 nan 0.000 0.447 399 G N -0.303 108.342 108.800 -0.259 0.000 2.440 399 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 399 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 399 G C 1.495 176.295 174.900 -0.167 0.000 1.154 399 G CA 1.195 45.886 45.100 -0.683 0.000 0.767 399 G HN 0.350 nan 8.290 nan 0.000 0.552 400 M N 0.791 120.362 119.600 -0.047 0.000 2.254 400 M HA 0.014 4.495 4.480 0.001 0.000 0.265 400 M C 2.625 178.890 176.300 -0.060 0.000 1.066 400 M CA 1.144 56.434 55.300 -0.016 0.000 1.123 400 M CB -1.625 31.011 32.600 0.060 0.000 1.388 400 M HN 0.122 nan 8.290 nan 0.000 0.425 401 T N 1.578 116.137 114.554 0.008 0.000 2.746 401 T HA -0.048 4.303 4.350 0.001 0.000 0.267 401 T C 2.085 176.758 174.700 -0.044 0.000 1.039 401 T CA 1.016 63.126 62.100 0.017 0.000 1.142 401 T CB -0.243 68.682 68.868 0.095 0.000 0.866 401 T HN 0.301 nan 8.240 nan 0.000 0.444 402 L N 0.357 121.551 121.223 -0.049 0.000 2.093 402 L HA -0.008 4.332 4.340 0.001 0.000 0.208 402 L C 2.442 179.245 176.870 -0.111 0.000 1.085 402 L CA 0.991 55.818 54.840 -0.022 0.000 0.755 402 L CB -0.547 41.554 42.059 0.070 0.000 0.904 402 L HN 0.263 nan 8.230 nan 0.000 0.435 403 L N -0.547 120.551 121.223 -0.208 0.000 2.083 403 L HA -0.205 4.136 4.340 0.001 0.000 0.209 403 L C 2.745 179.476 176.870 -0.232 0.000 1.083 403 L CA 1.072 55.724 54.840 -0.313 0.000 0.752 403 L CB -0.545 41.330 42.059 -0.307 0.000 0.899 403 L HN 0.335 nan 8.230 nan 0.000 0.433 404 E N 0.058 120.118 120.200 -0.234 0.000 2.106 404 E HA -0.217 4.134 4.350 0.001 0.000 0.192 404 E C 2.103 178.645 176.600 -0.098 0.000 0.984 404 E CA 1.118 57.374 56.400 -0.240 0.000 0.806 404 E CB 0.116 29.625 29.700 -0.318 0.000 0.750 404 E HN 0.478 nan 8.360 nan 0.000 0.458 405 Q N 0.520 120.279 119.800 -0.069 0.000 2.119 405 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 405 Q C 2.147 178.133 176.000 -0.022 0.000 0.972 405 Q CA 0.950 56.739 55.803 -0.023 0.000 0.847 405 Q CB -0.220 28.514 28.738 -0.007 0.000 0.903 405 Q HN 0.295 nan 8.270 nan 0.000 0.433 406 K N 0.393 120.758 120.400 -0.057 0.000 2.026 406 K HA -0.099 4.222 4.320 0.001 0.000 0.208 406 K C 2.116 178.703 176.600 -0.022 0.000 1.048 406 K CA 1.285 57.539 56.287 -0.054 0.000 0.929 406 K CB -0.185 32.245 32.500 -0.116 0.000 0.713 406 K HN 0.166 nan 8.250 nan 0.000 0.439 407 M N 0.079 119.666 119.600 -0.022 0.000 2.132 407 M HA -0.058 4.423 4.480 0.001 0.000 0.263 407 M C 0.324 176.672 176.300 0.079 0.000 1.065 407 M CA 1.715 57.038 55.300 0.038 0.000 1.122 407 M CB 0.154 32.780 32.600 0.043 0.000 1.365 407 M HN 0.274 nan 8.290 nan 0.000 0.411 408 G N 0.293 109.135 108.800 0.070 0.000 2.663 408 G HA2 -0.182 3.779 3.960 0.001 0.000 0.686 408 G HA3 -0.182 3.779 3.960 0.001 0.000 0.686 408 G C -0.555 174.432 174.900 0.146 0.000 1.246 408 G CA -0.274 44.879 45.100 0.089 0.000 0.795 408 G HN 0.403 nan 8.290 nan 0.000 0.627 409 D N 0.310 120.787 120.400 0.129 0.000 2.144 409 D HA 0.039 4.679 4.640 0.001 0.000 0.200 409 D C 2.705 179.094 176.300 0.148 0.000 0.978 409 D CA 1.909 56.005 54.000 0.160 0.000 0.833 409 D CB -0.301 40.563 40.800 0.108 0.000 0.961 409 D HN 0.838 nan 8.370 nan 0.000 0.470 410 A N 0.465 123.348 122.820 0.105 0.000 1.873 410 A HA -0.134 4.187 4.320 0.001 0.000 0.215 410 A C 2.371 180.012 177.584 0.094 0.000 1.186 410 A CA 1.924 54.005 52.037 0.074 0.000 0.616 410 A CB -0.877 18.151 19.000 0.047 0.000 0.823 410 A HN 0.185 nan 8.150 nan 0.000 0.442 411 T N -1.325 113.315 114.554 0.143 0.000 2.821 411 T HA -0.175 4.176 4.350 0.001 0.000 0.267 411 T C 1.605 176.526 174.700 0.368 0.000 1.046 411 T CA 1.097 63.314 62.100 0.196 0.000 1.139 411 T CB -0.348 68.658 68.868 0.230 0.000 0.871 411 T HN 0.699 nan 8.240 nan 0.000 0.454 412 W N 1.548 122.946 121.300 0.163 0.000 2.358 412 W HA -0.059 4.602 4.660 0.001 0.000 0.303 412 W C 1.651 178.270 176.519 0.165 0.000 1.208 412 W CA 0.512 57.965 57.345 0.181 0.000 1.274 412 W CB -0.310 29.203 29.460 0.088 0.000 1.138 412 W HN 0.188 nan 8.180 nan 0.000 0.515 413 L N 0.705 121.911 121.223 -0.028 0.000 2.042 413 L HA -0.260 4.081 4.340 0.001 0.000 0.210 413 L C 2.177 178.968 176.870 -0.131 0.000 1.076 413 L CA 2.144 56.878 54.840 -0.176 0.000 0.749 413 L CB -0.994 41.023 42.059 -0.070 0.000 0.893 413 L HN -0.012 nan 8.230 nan 0.000 0.432 414 D N -0.936 119.431 120.400 -0.055 0.000 2.097 414 D HA -0.244 4.397 4.640 0.001 0.000 0.195 414 D C 2.032 178.258 176.300 -0.124 0.000 0.989 414 D CA 1.433 55.368 54.000 -0.108 0.000 0.827 414 D CB -0.041 40.667 40.800 -0.153 0.000 0.966 414 D HN 0.198 nan 8.370 nan 0.000 0.456 415 Y N 0.273 120.570 120.300 -0.004 0.000 2.224 415 Y HA -0.043 4.508 4.550 0.001 0.000 0.289 415 Y C 2.194 178.147 175.900 0.088 0.000 1.146 415 Y CA 0.770 58.913 58.100 0.072 0.000 1.182 415 Y CB -0.283 38.350 38.460 0.290 0.000 0.983 415 Y HN 0.058 nan 8.280 nan 0.000 0.524 416 L N -0.310 120.885 121.223 -0.047 0.000 2.079 416 L HA -0.278 4.063 4.340 0.001 0.000 0.210 416 L C 1.993 178.938 176.870 0.126 0.000 1.081 416 L CA 1.223 56.053 54.840 -0.017 0.000 0.752 416 L CB -0.451 41.377 42.059 -0.385 0.000 0.896 416 L HN 0.280 nan 8.230 nan 0.000 0.433 417 N N 0.019 118.720 118.700 0.001 0.000 2.216 417 N HA -0.095 4.646 4.740 0.001 0.000 0.183 417 N C 1.897 177.374 175.510 -0.055 0.000 1.017 417 N CA 0.919 53.953 53.050 -0.028 0.000 0.861 417 N CB -0.107 38.342 38.487 -0.063 0.000 0.986 417 N HN 0.323 nan 8.380 nan 0.000 0.428 418 R N -0.298 120.150 120.500 -0.087 0.000 2.120 418 R HA -0.014 4.327 4.340 0.001 0.000 0.234 418 R C 1.222 177.387 176.300 -0.226 0.000 1.123 418 R CA 0.882 56.872 56.100 -0.184 0.000 0.975 418 R CB -0.255 29.881 30.300 -0.273 0.000 0.866 418 R HN 0.158 nan 8.270 nan 0.000 0.446 419 F N 0.876 120.795 119.950 -0.053 0.000 2.811 419 F HA 0.112 4.640 4.527 0.001 0.000 0.301 419 F C 0.505 176.035 175.800 -0.449 0.000 1.151 419 F CA 0.323 58.207 58.000 -0.192 0.000 1.412 419 F CB 0.034 38.990 39.000 -0.073 0.000 1.113 419 F HN -0.131 nan 8.300 nan 0.000 0.579 420 K N -0.678 119.643 120.400 -0.131 0.000 3.129 420 K HA -0.230 4.090 4.320 0.001 0.000 0.273 420 K C -0.459 176.002 176.600 -0.232 0.000 1.123 420 K CA 0.018 56.205 56.287 -0.167 0.000 0.800 420 K CB -2.159 30.243 32.500 -0.163 0.000 1.238 420 K HN 0.115 nan 8.250 nan 0.000 0.492 421 F N 0.725 120.660 119.950 -0.026 0.000 2.459 421 F HA 0.309 4.837 4.527 0.001 0.000 0.346 421 F C 1.879 177.638 175.800 -0.068 0.000 1.128 421 F CA 1.306 59.265 58.000 -0.068 0.000 1.268 421 F CB 1.091 40.022 39.000 -0.115 0.000 1.161 421 F HN 0.256 nan 8.300 nan 0.000 0.583 422 G N 0.968 109.854 108.800 0.143 0.000 2.217 422 G HA2 -0.205 3.756 3.960 0.001 0.000 0.246 422 G HA3 -0.205 3.756 3.960 0.001 0.000 0.246 422 G C -0.549 174.371 174.900 0.033 0.000 0.990 422 G CA -0.013 45.122 45.100 0.059 0.000 0.627 422 G HN 0.630 nan 8.290 nan 0.000 0.522 423 V N 3.330 123.256 119.914 0.020 0.000 2.444 423 V HA 0.535 4.656 4.120 0.001 0.000 0.294 423 V C -1.715 174.386 176.094 0.012 0.000 1.022 423 V CA -1.587 60.718 62.300 0.008 0.000 0.850 423 V CB 2.100 33.916 31.823 -0.013 0.000 0.992 423 V HN 0.186 nan 8.190 nan 0.000 0.426 424 P HA 0.065 nan 4.420 nan 0.000 0.270 424 P C 0.988 178.324 177.300 0.059 0.000 1.223 424 P CA 0.119 63.263 63.100 0.074 0.000 0.785 424 P CB 0.647 32.417 31.700 0.117 0.000 0.923 425 T N -1.422 113.170 114.554 0.064 0.000 3.035 425 T HA -0.096 4.255 4.350 0.001 0.000 0.268 425 T C 0.768 175.561 174.700 0.155 0.000 1.109 425 T CA -0.082 62.057 62.100 0.064 0.000 1.119 425 T CB -0.566 68.298 68.868 -0.006 0.000 0.900 425 T HN 0.336 nan 8.240 nan 0.000 0.503 426 R N 0.820 121.447 120.500 0.211 0.000 3.301 426 R HA -0.175 4.166 4.340 0.001 0.000 0.249 426 R C 0.512 176.973 176.300 0.268 0.000 0.964 426 R CA 0.762 56.992 56.100 0.218 0.000 0.653 426 R CB -3.185 27.187 30.300 0.121 0.000 1.043 426 R HN 0.751 nan 8.270 nan 0.000 0.454 427 F N -2.273 117.715 119.950 0.064 0.000 2.661 427 F HA 0.326 4.853 4.527 0.002 0.000 0.298 427 F C 1.416 177.303 175.800 0.145 0.000 1.137 427 F CA 0.525 58.574 58.000 0.081 0.000 1.454 427 F CB 0.082 39.146 39.000 0.106 0.000 1.103 427 F HN 0.232 nan 8.300 nan 0.000 0.577 428 G N 0.283 108.968 108.800 -0.192 0.000 3.033 428 G HA2 -0.014 3.947 3.960 0.001 0.000 0.208 428 G HA3 -0.014 3.947 3.960 0.001 0.000 0.208 428 G C -0.229 174.598 174.900 -0.123 0.000 1.006 428 G CA -0.135 44.899 45.100 -0.110 0.000 0.808 428 G HN 0.290 nan 8.290 nan 0.000 0.499 429 L N 2.854 123.787 121.223 -0.483 0.000 2.325 429 L HA 0.592 4.933 4.340 0.001 0.000 0.279 429 L C 1.303 178.162 176.870 -0.019 0.000 1.054 429 L CA -0.499 54.131 54.840 -0.351 0.000 0.804 429 L CB 1.625 43.231 42.059 -0.755 0.000 1.200 429 L HN 0.313 nan 8.230 nan 0.000 0.436 430 T N -2.303 112.308 114.554 0.094 0.000 2.860 430 T HA 0.087 4.438 4.350 0.001 0.000 0.299 430 T C 0.225 175.098 174.700 0.289 0.000 1.045 430 T CA -0.546 61.654 62.100 0.166 0.000 1.071 430 T CB 0.579 69.518 68.868 0.118 0.000 0.985 430 T HN 0.755 nan 8.240 nan 0.000 0.537 431 D N -0.861 119.691 120.400 0.254 0.000 2.708 431 D HA -0.160 4.481 4.640 0.001 0.000 0.236 431 D C 0.041 176.617 176.300 0.459 0.000 1.146 431 D CA 0.826 55.007 54.000 0.301 0.000 0.662 431 D CB -1.117 39.842 40.800 0.266 0.000 1.059 431 D HN 0.914 nan 8.370 nan 0.000 0.428 432 E N -0.050 120.438 120.200 0.480 0.000 2.344 432 E HA 0.105 4.456 4.350 0.001 0.000 0.270 432 E C -0.001 176.907 176.600 0.513 0.000 1.021 432 E CA -0.377 56.378 56.400 0.592 0.000 0.887 432 E CB 0.546 30.563 29.700 0.529 0.000 0.997 432 E HN -0.015 nan 8.360 nan 0.000 0.429 433 Y N 1.529 121.941 120.300 0.186 0.000 2.281 433 Y HA 0.281 4.832 4.550 0.002 0.000 0.337 433 Y C 1.004 176.960 175.900 0.093 0.000 1.304 433 Y CA -0.174 57.990 58.100 0.107 0.000 1.465 433 Y CB 1.233 39.737 38.460 0.073 0.000 1.350 433 Y HN 0.670 nan 8.280 nan 0.000 0.575 434 A N 0.156 123.078 122.820 0.169 0.000 2.287 434 A HA 0.487 4.807 4.320 0.001 0.000 0.214 434 A C 1.214 178.846 177.584 0.081 0.000 1.228 434 A CA 0.533 52.627 52.037 0.095 0.000 0.939 434 A CB -0.752 18.270 19.000 0.036 0.000 0.992 434 A HN 1.226 nan 8.150 nan 0.000 0.502 435 G N -0.776 108.077 108.800 0.088 0.000 2.692 435 G HA2 -0.109 3.852 3.960 0.001 0.000 0.248 435 G HA3 -0.109 3.852 3.960 0.001 0.000 0.248 435 G C -0.279 174.631 174.900 0.016 0.000 1.340 435 G CA 0.273 45.400 45.100 0.045 0.000 0.896 435 G HN 1.068 nan 8.290 nan 0.000 0.570 436 Q N -1.522 118.274 119.800 -0.007 0.000 2.352 436 Q HA 0.581 4.922 4.340 0.001 0.000 0.270 436 Q C -0.269 175.708 176.000 -0.039 0.000 1.006 436 Q CA -0.884 54.908 55.803 -0.018 0.000 0.880 436 Q CB 1.442 30.166 28.738 -0.024 0.000 1.392 436 Q HN 0.733 nan 8.270 nan 0.000 0.401 437 L N 4.206 125.407 121.223 -0.036 0.000 2.464 437 L HA 0.408 4.749 4.340 0.001 0.000 0.264 437 L C -1.796 175.034 176.870 -0.067 0.000 1.199 437 L CA -1.568 53.234 54.840 -0.064 0.000 0.818 437 L CB 0.071 42.097 42.059 -0.055 0.000 1.102 437 L HN 0.572 nan 8.230 nan 0.000 0.473 438 P HA 0.058 nan 4.420 nan 0.000 0.269 438 P C -0.846 176.433 177.300 -0.036 0.000 1.215 438 P CA -0.419 62.648 63.100 -0.055 0.000 0.780 438 P CB 0.561 32.233 31.700 -0.046 0.000 0.898 439 A N 1.827 124.633 122.820 -0.024 0.000 2.483 439 A HA 0.016 4.337 4.320 0.001 0.000 0.238 439 A C 0.676 178.256 177.584 -0.008 0.000 1.070 439 A CA -0.056 51.972 52.037 -0.015 0.000 0.770 439 A CB -0.468 18.526 19.000 -0.011 0.000 1.008 439 A HN 0.515 nan 8.150 nan 0.000 0.497 440 D N 1.164 121.560 120.400 -0.006 0.000 2.597 440 D HA 0.179 4.820 4.640 0.001 0.000 0.228 440 D C -0.241 176.064 176.300 0.009 0.000 1.120 440 D CA 0.305 54.305 54.000 0.001 0.000 1.083 440 D CB -0.920 39.879 40.800 -0.002 0.000 1.116 440 D HN 0.654 nan 8.370 nan 0.000 0.487 441 N N -0.781 117.928 118.700 0.015 0.000 2.494 441 N HA 0.193 4.934 4.740 0.001 0.000 0.270 441 N C 1.076 176.604 175.510 0.031 0.000 1.285 441 N CA -0.937 52.125 53.050 0.020 0.000 0.812 441 N CB 0.679 39.176 38.487 0.016 0.000 1.557 441 N HN -0.030 nan 8.380 nan 0.000 0.487 442 I N -1.872 118.718 120.570 0.035 0.000 2.614 442 I HA -0.067 4.104 4.170 0.001 0.000 0.258 442 I C 0.567 176.713 176.117 0.048 0.000 1.189 442 I CA 0.598 61.925 61.300 0.045 0.000 1.462 442 I CB -0.221 37.803 38.000 0.041 0.000 1.092 442 I HN 0.314 nan 8.210 nan 0.000 0.442 443 V N 2.365 122.304 119.914 0.042 0.000 2.255 443 V HA -0.214 3.907 4.120 0.001 0.000 0.243 443 V C 2.217 178.332 176.094 0.035 0.000 1.038 443 V CA 2.536 64.864 62.300 0.046 0.000 1.008 443 V CB -1.180 30.670 31.823 0.044 0.000 0.645 443 V HN 0.474 nan 8.190 nan 0.000 0.449 444 N N 0.034 118.748 118.700 0.024 0.000 2.223 444 N HA -0.109 4.632 4.740 0.001 0.000 0.185 444 N C 1.790 177.308 175.510 0.012 0.000 1.016 444 N CA 1.298 54.351 53.050 0.004 0.000 0.863 444 N CB -0.181 38.305 38.487 -0.001 0.000 0.983 444 N HN 0.437 nan 8.380 nan 0.000 0.429 445 I N 0.958 121.558 120.570 0.051 0.000 2.202 445 I HA -0.196 3.975 4.170 0.001 0.000 0.242 445 I C 2.517 178.735 176.117 0.168 0.000 1.091 445 I CA 0.654 62.029 61.300 0.125 0.000 1.368 445 I CB -0.396 37.687 38.000 0.139 0.000 1.058 445 I HN 0.128 nan 8.210 nan 0.000 0.410 446 A N 0.404 123.277 122.820 0.088 0.000 1.908 446 A HA -0.282 4.039 4.320 0.001 0.000 0.218 446 A C 2.267 179.827 177.584 -0.039 0.000 1.181 446 A CA 1.774 53.838 52.037 0.046 0.000 0.627 446 A CB -0.695 18.343 19.000 0.064 0.000 0.818 446 A HN 0.492 nan 8.150 nan 0.000 0.445 447 Q N -0.004 119.719 119.800 -0.128 0.000 2.224 447 Q HA -0.117 4.224 4.340 0.001 0.000 0.203 447 Q C 2.301 177.871 176.000 -0.717 0.000 0.970 447 Q CA 1.529 56.999 55.803 -0.554 0.000 0.865 447 Q CB -0.212 28.318 28.738 -0.347 0.000 0.922 447 Q HN 0.880 nan 8.270 nan 0.000 0.445 448 S N 0.027 115.600 115.700 -0.211 0.000 2.474 448 S HA -0.123 4.348 4.470 0.001 0.000 0.235 448 S C 1.991 176.651 174.600 0.098 0.000 0.997 448 S CA 0.977 59.157 58.200 -0.033 0.000 0.949 448 S CB -0.278 63.010 63.200 0.147 0.000 0.766 448 S HN 0.397 nan 8.310 nan 0.000 0.517 449 S N 2.134 117.798 115.700 -0.060 0.000 2.419 449 S HA -0.083 4.388 4.470 0.001 0.000 0.233 449 S C 1.291 175.864 174.600 -0.045 0.000 1.016 449 S CA 0.831 58.852 58.200 -0.298 0.000 0.974 449 S CB -1.031 61.892 63.200 -0.462 0.000 0.786 449 S HN 0.872 nan 8.310 nan 0.000 0.492 450 F N -0.522 119.416 119.950 -0.021 0.000 2.668 450 F HA 0.734 5.262 4.527 0.001 0.000 0.301 450 F C 1.159 176.981 175.800 0.037 0.000 1.106 450 F CA -0.626 57.381 58.000 0.010 0.000 1.289 450 F CB -0.131 38.876 39.000 0.013 0.000 1.006 450 F HN 0.218 nan 8.300 nan 0.000 0.535 451 G N 0.945 109.671 108.800 -0.122 0.000 2.137 451 G HA2 -0.288 3.673 3.960 0.001 0.000 0.237 451 G HA3 -0.288 3.673 3.960 0.001 0.000 0.237 451 G C -0.193 174.630 174.900 -0.127 0.000 1.002 451 G CA 0.256 45.300 45.100 -0.093 0.000 0.702 451 G HN 0.694 nan 8.290 nan 0.000 0.515 452 Q N -0.680 118.931 119.800 -0.315 0.000 2.274 452 Q HA 0.530 4.871 4.340 0.001 0.000 0.260 452 Q C 1.186 177.084 176.000 -0.170 0.000 0.974 452 Q CA 0.132 55.820 55.803 -0.193 0.000 0.876 452 Q CB 1.197 29.821 28.738 -0.191 0.000 1.297 452 Q HN 1.509 nan 8.270 nan 0.000 0.446 453 G N 3.161 111.930 108.800 -0.052 0.000 2.148 453 G HA2 -0.263 3.698 3.960 0.001 0.000 0.254 453 G HA3 -0.263 3.698 3.960 0.001 0.000 0.254 453 G C -0.277 174.582 174.900 -0.070 0.000 0.981 453 G CA 0.533 45.605 45.100 -0.045 0.000 0.670 453 G HN 0.628 nan 8.290 nan 0.000 0.528 454 I N 0.730 121.241 120.570 -0.097 0.000 2.730 454 I HA 0.700 4.871 4.170 0.001 0.000 0.298 454 I C -0.117 175.916 176.117 -0.139 0.000 1.089 454 I CA -0.496 60.725 61.300 -0.132 0.000 1.041 454 I CB 2.131 40.009 38.000 -0.203 0.000 1.235 454 I HN 0.343 nan 8.210 nan 0.000 0.423 455 S N 6.836 122.459 115.700 -0.129 0.000 2.503 455 S HA 0.848 5.319 4.470 0.001 0.000 0.301 455 S C -0.676 173.825 174.600 -0.164 0.000 1.087 455 S CA -0.524 57.592 58.200 -0.141 0.000 1.042 455 S CB 1.703 64.867 63.200 -0.059 0.000 1.043 455 S HN 0.765 nan 8.310 nan 0.000 0.489 456 V N -0.703 119.031 119.914 -0.299 0.000 3.141 456 V HA 0.943 5.064 4.120 0.001 0.000 0.312 456 V C -0.065 175.904 176.094 -0.209 0.000 1.157 456 V CA -0.501 61.663 62.300 -0.226 0.000 1.041 456 V CB 1.250 32.916 31.823 -0.262 0.000 1.071 456 V HN 1.193 nan 8.190 nan 0.000 0.441 457 T N -1.123 113.437 114.554 0.011 0.000 2.952 457 T HA 0.447 4.798 4.350 0.001 0.000 0.286 457 T C 0.640 175.485 174.700 0.242 0.000 1.024 457 T CA -0.332 61.869 62.100 0.168 0.000 1.029 457 T CB 1.790 70.755 68.868 0.162 0.000 1.094 457 T HN 0.778 nan 8.240 nan 0.000 0.515 458 Q N 0.312 120.342 119.800 0.384 0.000 2.167 458 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 458 Q C 2.433 178.558 176.000 0.208 0.000 0.970 458 Q CA 1.880 57.934 55.803 0.418 0.000 0.855 458 Q CB -0.494 28.465 28.738 0.368 0.000 0.911 458 Q HN 1.001 nan 8.270 nan 0.000 0.438 459 T N -1.231 113.365 114.554 0.069 0.000 2.821 459 T HA -0.176 4.175 4.350 0.001 0.000 0.267 459 T C 1.784 176.420 174.700 -0.106 0.000 1.046 459 T CA 1.022 63.059 62.100 -0.106 0.000 1.139 459 T CB -0.140 68.491 68.868 -0.395 0.000 0.871 459 T HN 0.229 nan 8.240 nan 0.000 0.454 460 Q N -0.022 119.740 119.800 -0.063 0.000 2.050 460 Q HA -0.022 4.319 4.340 0.001 0.000 0.202 460 Q C 2.510 178.388 176.000 -0.203 0.000 0.980 460 Q CA 1.368 57.095 55.803 -0.127 0.000 0.840 460 Q CB -0.265 28.458 28.738 -0.026 0.000 0.898 460 Q HN 0.398 nan 8.270 nan 0.000 0.424 461 M N 0.098 119.607 119.600 -0.152 0.000 2.080 461 M HA -0.172 4.308 4.480 0.001 0.000 0.260 461 M C 2.245 178.070 176.300 -0.791 0.000 1.068 461 M CA 1.508 56.494 55.300 -0.524 0.000 1.109 461 M CB -0.904 31.403 32.600 -0.487 0.000 1.342 461 M HN 0.246 nan 8.290 nan 0.000 0.405 462 I N -0.478 119.924 120.570 -0.279 0.000 2.127 462 I HA -0.345 3.826 4.170 0.001 0.000 0.241 462 I C 2.776 178.877 176.117 -0.027 0.000 1.075 462 I CA 1.437 62.731 61.300 -0.009 0.000 1.334 462 I CB -0.466 37.607 38.000 0.122 0.000 1.040 462 I HN 0.316 nan 8.210 nan 0.000 0.405 463 R N 1.067 121.513 120.500 -0.090 0.000 2.112 463 R HA -0.268 4.073 4.340 0.001 0.000 0.242 463 R C 2.345 178.612 176.300 -0.055 0.000 1.137 463 R CA 2.084 58.142 56.100 -0.069 0.000 0.944 463 R CB -0.426 29.805 30.300 -0.116 0.000 0.857 463 R HN 0.397 nan 8.270 nan 0.000 0.435 464 A N 0.284 122.997 122.820 -0.178 0.000 1.940 464 A HA -0.167 4.154 4.320 0.001 0.000 0.219 464 A C 1.957 179.581 177.584 0.065 0.000 1.176 464 A CA 1.402 53.388 52.037 -0.085 0.000 0.631 464 A CB -0.704 18.098 19.000 -0.329 0.000 0.814 464 A HN 0.406 nan 8.150 nan 0.000 0.446 465 F N 1.199 121.158 119.950 0.014 0.000 2.234 465 F HA -0.127 4.401 4.527 0.001 0.000 0.299 465 F C 2.896 178.729 175.800 0.055 0.000 1.087 465 F CA 1.376 59.387 58.000 0.018 0.000 1.340 465 F CB -1.418 37.568 39.000 -0.022 0.000 1.031 465 F HN 0.424 nan 8.300 nan 0.000 0.500 466 T N -2.004 112.692 114.554 0.236 0.000 2.788 466 T HA -0.134 4.217 4.350 0.001 0.000 0.268 466 T C 2.193 176.979 174.700 0.144 0.000 1.044 466 T CA 1.076 63.272 62.100 0.159 0.000 1.139 466 T CB -0.807 68.128 68.868 0.111 0.000 0.867 466 T HN 0.163 nan 8.240 nan 0.000 0.454 467 A N 1.005 123.931 122.820 0.176 0.000 1.969 467 A HA 0.162 4.483 4.320 0.001 0.000 0.218 467 A C 2.222 179.914 177.584 0.181 0.000 1.169 467 A CA 1.174 53.315 52.037 0.174 0.000 0.635 467 A CB -0.684 18.455 19.000 0.233 0.000 0.810 467 A HN 0.512 nan 8.150 nan 0.000 0.445 468 I N -0.506 120.194 120.570 0.216 0.000 2.500 468 I HA -0.070 4.100 4.170 0.001 0.000 0.252 468 I C 2.664 178.847 176.117 0.109 0.000 1.142 468 I CA 1.162 62.563 61.300 0.169 0.000 1.451 468 I CB -0.152 37.958 38.000 0.184 0.000 1.093 468 I HN 0.273 nan 8.210 nan 0.000 0.430 469 A N -0.566 122.320 122.820 0.110 0.000 2.067 469 A HA 0.010 4.331 4.320 0.001 0.000 0.217 469 A C 1.459 179.075 177.584 0.053 0.000 1.156 469 A CA 0.980 53.060 52.037 0.071 0.000 0.683 469 A CB -0.248 18.796 19.000 0.073 0.000 0.808 469 A HN 0.343 nan 8.150 nan 0.000 0.455 470 N N 1.004 119.741 118.700 0.062 0.000 2.818 470 N HA 0.144 4.884 4.740 0.001 0.000 0.301 470 N C -1.139 174.393 175.510 0.038 0.000 1.821 470 N CA -0.181 52.894 53.050 0.041 0.000 0.930 470 N CB 0.075 38.587 38.487 0.041 0.000 1.263 470 N HN 0.162 nan 8.380 nan 0.000 0.487 471 D N 0.706 121.127 120.400 0.035 0.000 2.860 471 D HA -0.215 4.425 4.640 0.001 0.000 0.229 471 D C 0.995 177.314 176.300 0.032 0.000 1.169 471 D CA 1.548 55.566 54.000 0.029 0.000 0.737 471 D CB -1.154 39.657 40.800 0.018 0.000 1.080 471 D HN 0.751 nan 8.370 nan 0.000 0.424 472 G N -2.174 106.654 108.800 0.048 0.000 2.176 472 G HA2 -0.310 3.651 3.960 0.001 0.000 0.253 472 G HA3 -0.310 3.651 3.960 0.001 0.000 0.253 472 G C 0.329 175.242 174.900 0.022 0.000 0.979 472 G CA 0.177 45.303 45.100 0.044 0.000 0.641 472 G HN 0.570 nan 8.290 nan 0.000 0.530 473 V N 1.791 121.720 119.914 0.026 0.000 2.406 473 V HA 0.598 4.719 4.120 0.001 0.000 0.272 473 V C 0.692 176.801 176.094 0.026 0.000 1.043 473 V CA -0.127 62.180 62.300 0.012 0.000 0.915 473 V CB 1.582 33.410 31.823 0.010 0.000 0.988 473 V HN 0.430 nan 8.190 nan 0.000 0.466 474 M N 6.401 126.007 119.600 0.010 0.000 2.108 474 M HA 0.494 4.975 4.480 0.001 0.000 0.354 474 M C -1.026 175.284 176.300 0.016 0.000 1.229 474 M CA -0.172 55.142 55.300 0.023 0.000 1.081 474 M CB 0.571 33.170 32.600 -0.002 0.000 1.606 474 M HN 0.523 nan 8.290 nan 0.000 0.467 475 L N 2.978 124.220 121.223 0.032 0.000 2.344 475 L HA 0.474 4.815 4.340 0.001 0.000 0.272 475 L C -0.181 176.709 176.870 0.033 0.000 1.035 475 L CA -0.917 53.942 54.840 0.031 0.000 0.807 475 L CB 1.639 43.723 42.059 0.042 0.000 1.237 475 L HN 0.579 nan 8.230 nan 0.000 0.442 476 E N 3.123 123.345 120.200 0.036 0.000 2.290 476 E HA 0.216 4.567 4.350 0.001 0.000 0.277 476 E C -2.401 174.253 176.600 0.089 0.000 1.035 476 E CA -1.619 54.814 56.400 0.055 0.000 0.873 476 E CB 0.882 30.614 29.700 0.054 0.000 1.029 476 E HN 0.128 nan 8.360 nan 0.000 0.419 477 P HA 0.063 nan 4.420 nan 0.000 0.268 477 P C -1.137 176.335 177.300 0.286 0.000 1.204 477 P CA 0.259 63.463 63.100 0.173 0.000 0.768 477 P CB 0.567 32.323 31.700 0.092 0.000 0.842 478 K N 2.063 122.613 120.400 0.250 0.000 2.426 478 K HA 0.452 4.773 4.320 0.001 0.000 0.251 478 K C -0.077 176.665 176.600 0.236 0.000 0.941 478 K CA -0.432 55.944 56.287 0.148 0.000 0.808 478 K CB 1.690 34.214 32.500 0.040 0.000 1.265 478 K HN 0.432 nan 8.250 nan 0.000 0.432 479 F N -0.753 119.258 119.950 0.101 0.000 2.880 479 F HA 0.450 4.978 4.527 0.001 0.000 0.346 479 F C -0.017 175.815 175.800 0.054 0.000 1.054 479 F CA -0.586 57.461 58.000 0.079 0.000 1.151 479 F CB 0.411 39.442 39.000 0.051 0.000 1.066 479 F HN 0.115 nan 8.300 nan 0.000 0.566 480 I N 1.468 121.835 120.570 -0.338 0.000 2.312 480 I HA 0.266 4.437 4.170 0.001 0.000 0.290 480 I C 1.131 177.216 176.117 -0.054 0.000 1.008 480 I CA -0.453 60.748 61.300 -0.165 0.000 1.226 480 I CB 1.800 39.622 38.000 -0.297 0.000 1.371 480 I HN 0.215 nan 8.210 nan 0.000 0.468 481 S N 4.960 120.688 115.700 0.047 0.000 2.427 481 S HA 0.398 4.869 4.470 0.001 0.000 0.224 481 S C 0.515 175.140 174.600 0.041 0.000 1.047 481 S CA 0.579 58.811 58.200 0.053 0.000 0.953 481 S CB 0.307 63.564 63.200 0.095 0.000 0.824 481 S HN 0.792 nan 8.310 nan 0.000 0.502 482 A N 0.180 123.056 122.820 0.094 0.000 2.582 482 A HA 0.634 4.955 4.320 0.001 0.000 0.297 482 A C -1.562 176.135 177.584 0.189 0.000 1.059 482 A CA -0.709 51.380 52.037 0.087 0.000 0.705 482 A CB 0.725 19.718 19.000 -0.013 0.000 1.279 482 A HN 0.347 nan 8.150 nan 0.000 0.404 483 I N 1.968 122.627 120.570 0.148 0.000 2.378 483 I HA 0.385 4.556 4.170 0.001 0.000 0.291 483 I C -0.972 175.283 176.117 0.230 0.000 0.992 483 I CA -0.613 60.797 61.300 0.184 0.000 1.154 483 I CB 1.594 39.649 38.000 0.093 0.000 1.315 483 I HN 0.713 nan 8.210 nan 0.000 0.448 484 Y N 5.897 126.294 120.300 0.162 0.000 2.335 484 Y HA 0.392 4.943 4.550 0.001 0.000 0.338 484 Y C -0.665 175.290 175.900 0.092 0.000 0.977 484 Y CA -0.917 57.260 58.100 0.128 0.000 1.114 484 Y CB 1.221 39.811 38.460 0.217 0.000 1.182 484 Y HN 0.457 nan 8.280 nan 0.000 0.463 485 D N 8.535 128.599 120.400 -0.560 0.000 2.373 485 D HA 0.285 4.926 4.640 0.001 0.000 0.227 485 D C -1.994 173.783 176.300 -0.871 0.000 1.091 485 D CA -2.500 51.188 54.000 -0.519 0.000 0.840 485 D CB 1.975 42.623 40.800 -0.252 0.000 1.060 485 D HN 0.374 nan 8.370 nan 0.000 0.502 486 P HA -0.045 nan 4.420 nan 0.000 0.229 486 P C 0.797 177.999 177.300 -0.163 0.000 1.160 486 P CA 0.403 63.291 63.100 -0.353 0.000 0.777 486 P CB 0.593 32.260 31.700 -0.056 0.000 0.814 487 N N 1.091 119.701 118.700 -0.149 0.000 2.166 487 N HA -0.118 4.623 4.740 0.001 0.000 0.186 487 N C 0.842 176.311 175.510 -0.068 0.000 1.019 487 N CA 1.643 54.645 53.050 -0.081 0.000 0.856 487 N CB -0.266 38.180 38.487 -0.067 0.000 0.993 487 N HN 0.383 nan 8.380 nan 0.000 0.426 488 D N -0.897 119.445 120.400 -0.096 0.000 2.556 488 D HA 0.026 4.667 4.640 0.001 0.000 0.237 488 D C -0.426 175.845 176.300 -0.048 0.000 1.296 488 D CA -0.099 53.867 54.000 -0.057 0.000 0.807 488 D CB -0.316 40.456 40.800 -0.047 0.000 1.084 488 D HN -0.075 nan 8.370 nan 0.000 0.510 489 Q N 0.391 120.138 119.800 -0.087 0.000 2.451 489 Q HA -0.153 4.187 4.340 0.001 0.000 0.305 489 Q C -0.670 175.371 176.000 0.069 0.000 1.345 489 Q CA 1.244 57.059 55.803 0.020 0.000 0.854 489 Q CB -2.200 26.605 28.738 0.112 0.000 1.162 489 Q HN 0.663 nan 8.270 nan 0.000 0.440 490 T N -3.378 111.151 114.554 -0.043 0.000 2.893 490 T HA 0.892 5.243 4.350 0.001 0.000 0.291 490 T C -0.347 174.389 174.700 0.060 0.000 1.028 490 T CA -0.376 61.739 62.100 0.026 0.000 0.995 490 T CB 2.449 71.311 68.868 -0.011 0.000 1.051 490 T HN 0.416 nan 8.240 nan 0.000 0.470 491 A N 2.223 125.114 122.820 0.118 0.000 2.423 491 A HA 0.869 5.190 4.320 0.001 0.000 0.304 491 A C -0.532 177.089 177.584 0.062 0.000 1.104 491 A CA -1.262 50.859 52.037 0.139 0.000 0.757 491 A CB 1.386 20.496 19.000 0.184 0.000 1.313 491 A HN 0.869 nan 8.150 nan 0.000 0.423 492 R N 1.143 121.676 120.500 0.055 0.000 2.437 492 R HA 0.512 4.853 4.340 0.001 0.000 0.310 492 R C -1.289 175.022 176.300 0.018 0.000 0.955 492 R CA -0.591 55.524 56.100 0.026 0.000 0.851 492 R CB 2.015 32.325 30.300 0.016 0.000 1.161 492 R HN 0.630 nan 8.270 nan 0.000 0.446 493 K N 0.845 121.246 120.400 0.001 0.000 2.207 493 K HA 0.275 4.595 4.320 0.001 0.000 0.255 493 K C -0.363 176.229 176.600 -0.014 0.000 0.941 493 K CA -0.509 55.772 56.287 -0.010 0.000 0.825 493 K CB 2.266 34.753 32.500 -0.022 0.000 1.119 493 K HN 0.329 nan 8.250 nan 0.000 0.430 494 S N 2.017 117.707 115.700 -0.015 0.000 2.565 494 S HA 0.175 4.646 4.470 0.001 0.000 0.274 494 S C -0.831 173.760 174.600 -0.014 0.000 1.309 494 S CA -0.455 57.733 58.200 -0.021 0.000 1.043 494 S CB 0.415 63.599 63.200 -0.027 0.000 0.939 494 S HN 0.416 nan 8.310 nan 0.000 0.504 495 Q N 2.283 122.075 119.800 -0.014 0.000 2.397 495 Q HA 0.291 4.632 4.340 0.001 0.000 0.275 495 Q C -0.904 175.092 176.000 -0.006 0.000 1.090 495 Q CA -1.014 54.785 55.803 -0.008 0.000 0.809 495 Q CB 2.004 30.737 28.738 -0.009 0.000 1.362 495 Q HN 0.817 nan 8.270 nan 0.000 0.431 496 K N 0.865 121.265 120.400 0.001 0.000 2.550 496 K HA -0.019 4.302 4.320 0.001 0.000 0.280 496 K C -0.433 176.168 176.600 0.003 0.000 0.987 496 K CA 0.469 56.759 56.287 0.006 0.000 1.048 496 K CB 0.743 33.249 32.500 0.010 0.000 0.879 496 K HN 0.570 nan 8.250 nan 0.000 0.491 497 E N 4.091 124.295 120.200 0.006 0.000 2.151 497 E HA 0.237 4.588 4.350 0.001 0.000 0.275 497 E C -0.898 175.705 176.600 0.006 0.000 0.936 497 E CA -0.780 55.622 56.400 0.003 0.000 0.777 497 E CB 0.952 30.654 29.700 0.004 0.000 1.108 497 E HN 0.574 nan 8.360 nan 0.000 0.401 498 I N 5.116 125.686 120.570 -0.000 0.000 2.353 498 I HA 0.111 4.282 4.170 0.001 0.000 0.293 498 I C 0.872 176.983 176.117 -0.009 0.000 0.992 498 I CA -0.441 60.857 61.300 -0.003 0.000 1.268 498 I CB 1.525 39.521 38.000 -0.007 0.000 1.387 498 I HN 0.521 nan 8.210 nan 0.000 0.478 499 V N 2.032 121.938 119.914 -0.014 0.000 3.432 499 V HA 0.724 4.844 4.120 0.001 0.000 0.298 499 V C 0.363 176.432 176.094 -0.041 0.000 1.464 499 V CA 0.240 62.526 62.300 -0.023 0.000 1.046 499 V CB 0.026 31.838 31.823 -0.018 0.000 0.887 499 V HN 0.914 nan 8.190 nan 0.000 0.441 500 G N 0.472 109.245 108.800 -0.046 0.000 2.316 500 G HA2 0.293 4.254 3.960 0.001 0.000 0.296 500 G HA3 0.293 4.254 3.960 0.001 0.000 0.296 500 G C -1.795 173.061 174.900 -0.073 0.000 1.399 500 G CA -0.228 44.829 45.100 -0.071 0.000 0.833 500 G HN 0.283 nan 8.290 nan 0.000 0.565 501 N N 0.902 119.544 118.700 -0.097 0.000 2.725 501 N HA 0.334 5.075 4.740 0.001 0.000 0.248 501 N C -1.589 173.835 175.510 -0.144 0.000 1.402 501 N CA -1.602 51.393 53.050 -0.092 0.000 0.766 501 N CB 1.921 40.374 38.487 -0.056 0.000 1.223 501 N HN 0.241 nan 8.380 nan 0.000 0.515 502 P HA -0.037 nan 4.420 nan 0.000 0.219 502 P C 0.503 177.677 177.300 -0.211 0.000 1.150 502 P CA 0.931 63.775 63.100 -0.427 0.000 0.814 502 P CB 0.321 31.344 31.700 -1.129 0.000 0.787 503 V N -3.785 116.061 119.914 -0.114 0.000 3.159 503 V HA 0.689 4.809 4.120 0.001 0.000 0.308 503 V C -0.151 175.961 176.094 0.029 0.000 1.190 503 V CA -1.081 61.241 62.300 0.037 0.000 1.037 503 V CB 1.472 33.355 31.823 0.099 0.000 1.060 503 V HN 0.127 nan 8.190 nan 0.000 0.437 504 S N 0.719 116.446 115.700 0.045 0.000 2.632 504 S HA 0.315 4.785 4.470 0.001 0.000 0.267 504 S C 0.967 175.585 174.600 0.030 0.000 1.276 504 S CA 0.242 58.460 58.200 0.031 0.000 0.998 504 S CB 1.170 64.390 63.200 0.034 0.000 0.953 504 S HN 1.144 nan 8.310 nan 0.000 0.547 505 K N 0.633 121.047 120.400 0.023 0.000 2.044 505 K HA -0.235 4.086 4.320 0.001 0.000 0.210 505 K C 1.005 177.618 176.600 0.022 0.000 1.049 505 K CA 2.220 58.521 56.287 0.023 0.000 0.927 505 K CB -0.580 31.930 32.500 0.017 0.000 0.713 505 K HN 0.686 nan 8.250 nan 0.000 0.443 506 D N 0.175 120.588 120.400 0.021 0.000 2.117 506 D HA -0.119 4.521 4.640 0.001 0.000 0.197 506 D C 1.779 178.088 176.300 0.015 0.000 0.987 506 D CA 1.437 55.449 54.000 0.020 0.000 0.829 506 D CB -0.221 40.593 40.800 0.023 0.000 0.961 506 D HN 0.400 nan 8.370 nan 0.000 0.460 507 A N 0.724 123.553 122.820 0.016 0.000 1.902 507 A HA -0.021 4.300 4.320 0.001 0.000 0.217 507 A C 2.273 179.851 177.584 -0.011 0.000 1.181 507 A CA 2.158 54.194 52.037 -0.002 0.000 0.623 507 A CB -0.729 18.279 19.000 0.012 0.000 0.818 507 A HN 0.234 nan 8.150 nan 0.000 0.443 508 A N -0.581 122.251 122.820 0.020 0.000 1.898 508 A HA -0.025 4.296 4.320 0.001 0.000 0.216 508 A C 2.436 180.027 177.584 0.011 0.000 1.181 508 A CA 1.942 53.997 52.037 0.031 0.000 0.620 508 A CB -0.839 18.195 19.000 0.057 0.000 0.819 508 A HN 0.446 nan 8.150 nan 0.000 0.442 509 S N -0.382 115.326 115.700 0.012 0.000 2.353 509 S HA -0.167 4.304 4.470 0.001 0.000 0.222 509 S C 1.860 176.460 174.600 -0.000 0.000 1.035 509 S CA 1.612 59.819 58.200 0.012 0.000 1.025 509 S CB -0.456 62.754 63.200 0.017 0.000 0.902 509 S HN 0.435 nan 8.310 nan 0.000 0.440 510 L N 1.535 122.750 121.223 -0.013 0.000 2.093 510 L HA -0.074 4.267 4.340 0.001 0.000 0.208 510 L C 2.350 179.162 176.870 -0.096 0.000 1.085 510 L CA 1.587 56.411 54.840 -0.026 0.000 0.755 510 L CB -1.121 40.934 42.059 -0.008 0.000 0.904 510 L HN 0.248 nan 8.230 nan 0.000 0.435 511 T N -0.626 113.843 114.554 -0.142 0.000 2.684 511 T HA -0.218 4.133 4.350 0.001 0.000 0.267 511 T C 1.992 176.620 174.700 -0.120 0.000 1.036 511 T CA 1.654 63.619 62.100 -0.226 0.000 1.148 511 T CB -0.216 68.556 68.868 -0.160 0.000 0.863 511 T HN 0.347 nan 8.240 nan 0.000 0.436 512 R N 0.496 120.978 120.500 -0.030 0.000 2.096 512 R HA -0.062 4.279 4.340 0.001 0.000 0.235 512 R C 2.758 179.085 176.300 0.045 0.000 1.127 512 R CA 1.552 57.666 56.100 0.024 0.000 0.968 512 R CB -0.788 29.530 30.300 0.030 0.000 0.861 512 R HN 0.341 nan 8.270 nan 0.000 0.440 513 T N 1.083 115.654 114.554 0.029 0.000 2.684 513 T HA -0.127 4.224 4.350 0.001 0.000 0.267 513 T C 1.383 176.135 174.700 0.086 0.000 1.036 513 T CA 1.775 63.908 62.100 0.054 0.000 1.148 513 T CB -0.309 68.587 68.868 0.047 0.000 0.863 513 T HN 0.378 nan 8.240 nan 0.000 0.436 514 N N 0.456 119.187 118.700 0.052 0.000 2.309 514 N HA 0.096 4.837 4.740 0.001 0.000 0.182 514 N C 1.783 177.509 175.510 0.360 0.000 1.018 514 N CA 0.796 53.923 53.050 0.130 0.000 0.876 514 N CB -0.199 38.205 38.487 -0.140 0.000 0.972 514 N HN 0.350 nan 8.380 nan 0.000 0.434 515 M N -0.398 119.383 119.600 0.302 0.000 2.319 515 M HA -0.052 4.429 4.480 0.001 0.000 0.265 515 M C 1.537 177.963 176.300 0.211 0.000 1.068 515 M CA 0.769 56.287 55.300 0.363 0.000 1.118 515 M CB 0.186 32.930 32.600 0.241 0.000 1.395 515 M HN 0.023 nan 8.290 nan 0.000 0.435 516 V N 0.586 120.596 119.914 0.161 0.000 2.453 516 V HA -0.210 3.911 4.120 0.001 0.000 0.247 516 V C 2.143 178.324 176.094 0.145 0.000 1.048 516 V CA 1.346 63.722 62.300 0.126 0.000 1.049 516 V CB -0.596 31.286 31.823 0.099 0.000 0.672 516 V HN 0.470 nan 8.190 nan 0.000 0.457 517 L N -0.277 121.050 121.223 0.174 0.000 2.353 517 L HA -0.129 4.212 4.340 0.001 0.000 0.220 517 L C 2.339 179.323 176.870 0.190 0.000 1.133 517 L CA 0.667 55.618 54.840 0.185 0.000 0.798 517 L CB -0.667 41.517 42.059 0.209 0.000 0.922 517 L HN 0.214 nan 8.230 nan 0.000 0.445 518 V N 0.032 120.053 119.914 0.178 0.000 2.515 518 V HA -0.164 3.957 4.120 0.001 0.000 0.250 518 V C 2.334 178.508 176.094 0.133 0.000 1.058 518 V CA 1.989 64.360 62.300 0.118 0.000 1.064 518 V CB -0.647 31.201 31.823 0.040 0.000 0.675 518 V HN 0.584 nan 8.190 nan 0.000 0.461 519 G N -0.763 108.119 108.800 0.137 0.000 2.719 519 G HA2 -0.053 3.908 3.960 0.001 0.000 0.211 519 G HA3 -0.053 3.908 3.960 0.001 0.000 0.211 519 G C 1.534 176.561 174.900 0.212 0.000 1.140 519 G CA 1.007 46.186 45.100 0.132 0.000 0.790 519 G HN 0.555 nan 8.290 nan 0.000 0.529 520 T N -3.076 111.613 114.554 0.225 0.000 2.990 520 T HA 0.135 4.486 4.350 0.001 0.000 0.250 520 T C 0.567 175.399 174.700 0.219 0.000 1.041 520 T CA -0.035 62.226 62.100 0.268 0.000 1.010 520 T CB 0.302 69.266 68.868 0.160 0.000 1.003 520 T HN 0.020 nan 8.240 nan 0.000 0.499 521 D N 3.542 124.018 120.400 0.127 0.000 2.342 521 D HA 0.160 4.801 4.640 0.001 0.000 0.260 521 D C -1.717 174.400 176.300 -0.306 0.000 1.278 521 D CA -1.875 52.125 54.000 0.001 0.000 0.910 521 D CB 1.778 42.653 40.800 0.126 0.000 1.079 521 D HN 0.093 nan 8.370 nan 0.000 0.496 522 P HA -0.088 nan 4.420 nan 0.000 0.222 522 P C 1.211 178.222 177.300 -0.481 0.000 1.147 522 P CA 0.408 62.846 63.100 -1.104 0.000 0.790 522 P CB 0.530 31.844 31.700 -0.643 0.000 0.780 523 V N -3.127 116.583 119.914 -0.340 0.000 2.922 523 V HA 0.011 4.132 4.120 0.001 0.000 0.242 523 V C 1.451 177.231 176.094 -0.524 0.000 1.094 523 V CA 1.304 63.326 62.300 -0.462 0.000 1.106 523 V CB -0.699 30.706 31.823 -0.697 0.000 0.799 523 V HN -0.016 nan 8.190 nan 0.000 0.474 524 Y N 0.564 120.848 120.300 -0.027 0.000 2.467 524 Y HA 0.516 5.067 4.550 0.001 0.000 0.259 524 Y C 1.789 177.832 175.900 0.238 0.000 1.084 524 Y CA -0.322 57.810 58.100 0.053 0.000 1.275 524 Y CB -0.236 38.214 38.460 -0.017 0.000 1.208 524 Y HN 0.201 nan 8.280 nan 0.000 0.511 525 G N 0.878 109.833 108.800 0.257 0.000 2.299 525 G HA2 0.197 4.158 3.960 0.001 0.000 0.256 525 G HA3 0.197 4.158 3.960 0.001 0.000 0.256 525 G C 1.044 176.076 174.900 0.220 0.000 1.259 525 G CA 0.473 45.704 45.100 0.219 0.000 0.943 525 G HN 0.368 nan 8.290 nan 0.000 0.479 526 T N 0.269 114.916 114.554 0.155 0.000 3.085 526 T HA 0.016 4.366 4.350 0.001 0.000 0.263 526 T C 1.549 176.321 174.700 0.121 0.000 1.127 526 T CA 0.717 62.885 62.100 0.112 0.000 1.103 526 T CB -0.034 68.849 68.868 0.025 0.000 0.921 526 T HN 0.379 nan 8.240 nan 0.000 0.510 527 M N 0.235 119.909 119.600 0.124 0.000 2.596 527 M HA 0.360 4.841 4.480 0.001 0.000 0.364 527 M C -0.671 175.682 176.300 0.088 0.000 1.158 527 M CA -0.661 54.696 55.300 0.094 0.000 0.940 527 M CB 0.622 33.264 32.600 0.069 0.000 1.388 527 M HN 0.217 nan 8.290 nan 0.000 0.522 528 Y N 1.925 122.214 120.300 -0.018 0.000 2.436 528 Y HA 0.248 4.799 4.550 0.002 0.000 0.343 528 Y C 0.166 175.963 175.900 -0.171 0.000 1.008 528 Y CA -0.398 57.626 58.100 -0.127 0.000 1.241 528 Y CB 0.408 38.736 38.460 -0.219 0.000 1.153 528 Y HN 0.112 nan 8.280 nan 0.000 0.521 529 N N 5.305 123.730 118.700 -0.458 0.000 2.402 529 N HA 0.008 4.749 4.740 0.001 0.000 0.252 529 N C 0.522 175.793 175.510 -0.399 0.000 1.118 529 N CA 0.231 53.107 53.050 -0.291 0.000 0.945 529 N CB 0.160 38.511 38.487 -0.225 0.000 1.147 529 N HN 0.806 nan 8.380 nan 0.000 0.495 530 H N 1.539 120.609 119.070 -0.000 0.000 2.529 530 H HA 0.031 4.587 4.556 0.001 0.000 0.277 530 H C 0.961 176.308 175.328 0.032 0.000 0.999 530 H CA 0.595 56.722 56.048 0.131 0.000 1.256 530 H CB 0.590 30.465 29.762 0.188 0.000 1.402 530 H HN 0.478 nan 8.280 nan 0.000 0.566 531 S N -0.148 115.594 115.700 0.070 0.000 2.436 531 S HA -0.056 4.415 4.470 0.001 0.000 0.228 531 S C 1.861 176.445 174.600 -0.027 0.000 1.014 531 S CA 1.243 59.456 58.200 0.022 0.000 0.950 531 S CB 0.169 63.371 63.200 0.002 0.000 0.784 531 S HN 0.488 nan 8.310 nan 0.000 0.504 532 T N -0.896 113.602 114.554 -0.093 0.000 2.971 532 T HA 0.387 4.738 4.350 0.001 0.000 0.252 532 T C 1.542 176.150 174.700 -0.154 0.000 1.022 532 T CA 0.484 62.514 62.100 -0.116 0.000 0.980 532 T CB 0.423 69.211 68.868 -0.135 0.000 1.044 532 T HN 0.442 nan 8.240 nan 0.000 0.501 533 G N 2.195 110.842 108.800 -0.255 0.000 2.189 533 G HA2 -0.296 3.665 3.960 0.001 0.000 0.267 533 G HA3 -0.296 3.665 3.960 0.001 0.000 0.267 533 G C 0.063 174.691 174.900 -0.453 0.000 0.975 533 G CA 0.561 45.488 45.100 -0.288 0.000 0.644 533 G HN 0.530 nan 8.290 nan 0.000 0.537 534 K N 0.471 120.603 120.400 -0.447 0.000 2.211 534 K HA 0.569 4.890 4.320 0.001 0.000 0.237 534 K C -2.570 173.776 176.600 -0.423 0.000 1.002 534 K CA -2.287 53.804 56.287 -0.327 0.000 0.885 534 K CB 1.296 33.689 32.500 -0.178 0.000 1.136 534 K HN -0.048 nan 8.250 nan 0.000 0.448 535 P HA -0.050 nan 4.420 nan 0.000 0.270 535 P C 0.530 177.752 177.300 -0.130 0.000 1.223 535 P CA -0.059 62.954 63.100 -0.145 0.000 0.785 535 P CB 0.463 32.138 31.700 -0.042 0.000 0.923 536 T N -2.189 112.312 114.554 -0.088 0.000 2.904 536 T HA 0.013 4.364 4.350 0.001 0.000 0.267 536 T C 0.661 175.326 174.700 -0.059 0.000 1.059 536 T CA 0.807 62.860 62.100 -0.077 0.000 1.137 536 T CB -0.369 68.466 68.868 -0.054 0.000 0.879 536 T HN 0.120 nan 8.240 nan 0.000 0.467 537 V N 1.544 121.439 119.914 -0.031 0.000 2.357 537 V HA 0.683 4.804 4.120 0.001 0.000 0.284 537 V C -0.220 175.865 176.094 -0.015 0.000 1.018 537 V CA -0.496 61.793 62.300 -0.018 0.000 0.841 537 V CB 1.092 32.924 31.823 0.014 0.000 0.991 537 V HN 0.573 nan 8.190 nan 0.000 0.437 538 T N 4.163 118.703 114.554 -0.024 0.000 3.012 538 T HA 0.589 4.940 4.350 0.001 0.000 0.330 538 T C -1.465 173.226 174.700 -0.015 0.000 1.321 538 T CA -0.278 61.812 62.100 -0.018 0.000 1.067 538 T CB 1.683 70.530 68.868 -0.035 0.000 1.235 538 T HN 0.283 nan 8.240 nan 0.000 0.479 539 V N 6.152 126.066 119.914 0.001 0.000 2.435 539 V HA 0.511 4.632 4.120 0.001 0.000 0.290 539 V C -2.121 173.975 176.094 0.004 0.000 1.030 539 V CA -1.983 60.320 62.300 0.004 0.000 0.881 539 V CB 1.440 33.279 31.823 0.027 0.000 0.983 539 V HN 0.781 nan 8.190 nan 0.000 0.445 540 P HA 0.164 nan 4.420 nan 0.000 0.267 540 P C 1.024 178.329 177.300 0.008 0.000 1.200 540 P CA 1.177 64.275 63.100 -0.002 0.000 0.772 540 P CB 0.507 32.203 31.700 -0.007 0.000 0.855 541 G N 0.843 109.647 108.800 0.007 0.000 2.186 541 G HA2 -0.282 3.679 3.960 0.001 0.000 0.266 541 G HA3 -0.282 3.679 3.960 0.001 0.000 0.266 541 G C -0.064 174.848 174.900 0.020 0.000 0.982 541 G CA 0.167 45.274 45.100 0.012 0.000 0.670 541 G HN 0.628 nan 8.290 nan 0.000 0.533 542 Q N -0.412 119.401 119.800 0.023 0.000 2.397 542 Q HA 0.423 4.764 4.340 0.001 0.000 0.275 542 Q C -0.727 175.292 176.000 0.032 0.000 1.090 542 Q CA -1.079 54.743 55.803 0.031 0.000 0.809 542 Q CB 1.283 30.047 28.738 0.042 0.000 1.362 542 Q HN 0.197 nan 8.270 nan 0.000 0.431 543 N N 0.661 119.383 118.700 0.037 0.000 2.529 543 N HA 0.307 5.048 4.740 0.001 0.000 0.278 543 N C -1.042 174.496 175.510 0.047 0.000 1.146 543 N CA -0.023 53.052 53.050 0.042 0.000 0.980 543 N CB 1.377 39.891 38.487 0.045 0.000 1.124 543 N HN 0.207 nan 8.380 nan 0.000 0.458 544 V N 1.014 120.957 119.914 0.049 0.000 2.444 544 V HA 0.469 4.589 4.120 0.001 0.000 0.294 544 V C 0.063 176.192 176.094 0.058 0.000 1.022 544 V CA -1.203 61.129 62.300 0.052 0.000 0.850 544 V CB 1.362 33.212 31.823 0.044 0.000 0.992 544 V HN 0.755 nan 8.190 nan 0.000 0.426 545 A N 6.719 129.573 122.820 0.058 0.000 2.451 545 A HA 0.727 5.048 4.320 0.001 0.000 0.266 545 A C -0.500 177.115 177.584 0.052 0.000 1.119 545 A CA 0.115 52.191 52.037 0.065 0.000 0.786 545 A CB -0.066 18.967 19.000 0.055 0.000 1.061 545 A HN 0.801 nan 8.150 nan 0.000 0.503 546 L N 2.369 123.636 121.223 0.073 0.000 2.354 546 L HA 0.693 5.034 4.340 0.001 0.000 0.264 546 L C -0.062 176.836 176.870 0.046 0.000 1.008 546 L CA -0.901 53.969 54.840 0.051 0.000 0.819 546 L CB 2.227 44.320 42.059 0.057 0.000 1.339 546 L HN 0.547 nan 8.230 nan 0.000 0.420 547 K N 1.438 121.848 120.400 0.017 0.000 2.589 547 K HA 0.335 4.655 4.320 0.001 0.000 0.253 547 K C -1.122 175.502 176.600 0.039 0.000 0.974 547 K CA -0.267 56.014 56.287 -0.010 0.000 0.835 547 K CB 2.244 34.749 32.500 0.008 0.000 1.272 547 K HN 0.750 nan 8.250 nan 0.000 0.444 548 S N 0.916 116.631 115.700 0.026 0.000 2.672 548 S HA 0.888 5.359 4.470 0.001 0.000 0.276 548 S C 0.265 174.920 174.600 0.092 0.000 1.207 548 S CA -0.506 57.745 58.200 0.086 0.000 1.002 548 S CB 1.811 65.060 63.200 0.081 0.000 0.998 548 S HN 0.631 nan 8.310 nan 0.000 0.542 549 G N 0.156 109.033 108.800 0.128 0.000 2.766 549 G HA2 0.554 4.515 3.960 0.001 0.000 0.297 549 G HA3 0.554 4.515 3.960 0.001 0.000 0.297 549 G C -1.417 173.518 174.900 0.059 0.000 1.431 549 G CA -0.696 44.467 45.100 0.105 0.000 1.042 549 G HN 0.764 nan 8.290 nan 0.000 0.542 550 T N 0.697 115.239 114.554 -0.020 0.000 2.847 550 T HA 0.718 5.069 4.350 0.001 0.000 0.291 550 T C -0.072 174.516 174.700 -0.187 0.000 0.998 550 T CA -0.199 61.779 62.100 -0.205 0.000 0.967 550 T CB 1.560 70.268 68.868 -0.267 0.000 0.954 550 T HN 1.129 nan 8.240 nan 0.000 0.441 551 A N 3.480 126.176 122.820 -0.206 0.000 2.342 551 A HA 0.695 5.016 4.320 0.001 0.000 0.323 551 A C -0.200 177.287 177.584 -0.162 0.000 1.125 551 A CA -0.888 51.066 52.037 -0.138 0.000 0.785 551 A CB 0.993 19.959 19.000 -0.057 0.000 1.221 551 A HN 0.769 nan 8.150 nan 0.000 0.463 552 Q N 1.189 120.820 119.800 -0.282 0.000 2.340 552 Q HA 0.357 4.697 4.340 0.001 0.000 0.249 552 Q C -0.383 175.509 176.000 -0.180 0.000 0.957 552 Q CA -0.304 55.281 55.803 -0.363 0.000 0.882 552 Q CB 1.056 29.413 28.738 -0.635 0.000 1.235 552 Q HN 0.607 nan 8.270 nan 0.000 0.439 553 I N 1.555 122.071 120.570 -0.090 0.000 2.365 553 I HA 0.243 4.414 4.170 0.001 0.000 0.291 553 I C 0.331 176.567 176.117 0.198 0.000 1.004 553 I CA -0.584 60.734 61.300 0.030 0.000 1.311 553 I CB 0.488 38.449 38.000 -0.065 0.000 1.401 553 I HN 0.631 nan 8.210 nan 0.000 0.491 554 A N 5.198 128.128 122.820 0.183 0.000 2.520 554 A HA -0.005 4.316 4.320 0.001 0.000 0.245 554 A C 0.337 177.913 177.584 -0.013 0.000 1.072 554 A CA -0.130 51.938 52.037 0.051 0.000 0.761 554 A CB -0.195 18.811 19.000 0.009 0.000 1.004 554 A HN 0.735 nan 8.150 nan 0.000 0.499 555 D N 2.349 122.713 120.400 -0.060 0.000 2.358 555 D HA 0.034 4.675 4.640 0.001 0.000 0.258 555 D C 1.028 177.297 176.300 -0.052 0.000 1.223 555 D CA -0.032 53.937 54.000 -0.052 0.000 0.886 555 D CB 0.622 41.386 40.800 -0.060 0.000 1.120 555 D HN 0.564 nan 8.370 nan 0.000 0.482 556 E N 3.196 123.374 120.200 -0.037 0.000 2.160 556 E HA -0.187 4.163 4.350 0.001 0.000 0.195 556 E C 0.939 177.519 176.600 -0.032 0.000 0.991 556 E CA 1.406 57.787 56.400 -0.031 0.000 0.810 556 E CB 0.374 30.060 29.700 -0.024 0.000 0.742 556 E HN 0.544 nan 8.360 nan 0.000 0.466 557 K N -0.369 120.012 120.400 -0.033 0.000 2.324 557 K HA 0.178 4.499 4.320 0.001 0.000 0.222 557 K C 1.843 178.422 176.600 -0.034 0.000 1.107 557 K CA 0.089 56.358 56.287 -0.029 0.000 0.873 557 K CB -0.105 32.381 32.500 -0.024 0.000 1.270 557 K HN -0.086 nan 8.250 nan 0.000 0.456 558 N N 0.869 119.548 118.700 -0.035 0.000 2.258 558 N HA -0.105 4.636 4.740 0.001 0.000 0.187 558 N C 0.522 176.004 175.510 -0.048 0.000 1.012 558 N CA 1.162 54.191 53.050 -0.035 0.000 0.870 558 N CB -0.041 38.428 38.487 -0.031 0.000 0.977 558 N HN 0.362 nan 8.380 nan 0.000 0.434 559 G N -0.216 108.544 108.800 -0.066 0.000 2.705 559 G HA2 0.208 4.169 3.960 0.001 0.000 0.686 559 G HA3 0.208 4.169 3.960 0.001 0.000 0.686 559 G C 0.147 174.965 174.900 -0.137 0.000 1.285 559 G CA -0.363 44.679 45.100 -0.098 0.000 0.800 559 G HN 0.676 nan 8.290 nan 0.000 0.611 560 G N 0.001 108.655 108.800 -0.242 0.000 2.512 560 G HA2 0.232 4.193 3.960 0.001 0.000 0.240 560 G HA3 0.232 4.193 3.960 0.001 0.000 0.240 560 G C -0.288 174.312 174.900 -0.499 0.000 1.246 560 G CA 0.616 45.485 45.100 -0.386 0.000 0.919 560 G HN 1.986 nan 8.290 nan 0.000 0.577 561 Y N -0.106 120.185 120.300 -0.014 0.000 2.429 561 Y HA 0.696 5.247 4.550 0.001 0.000 0.342 561 Y C 1.134 176.986 175.900 -0.080 0.000 1.004 561 Y CA -0.927 57.144 58.100 -0.050 0.000 1.075 561 Y CB 1.339 39.770 38.460 -0.048 0.000 1.214 561 Y HN 0.613 nan 8.280 nan 0.000 0.455 562 L N 2.048 123.299 121.223 0.046 0.000 2.479 562 L HA 0.194 4.535 4.340 0.001 0.000 0.270 562 L C 0.850 177.656 176.870 -0.106 0.000 1.236 562 L CA -0.180 54.630 54.840 -0.049 0.000 0.823 562 L CB 0.271 42.277 42.059 -0.089 0.000 1.098 562 L HN 0.667 nan 8.230 nan 0.000 0.500 563 V N -2.209 117.636 119.914 -0.115 0.000 3.252 563 V HA 0.342 4.463 4.120 0.001 0.000 0.320 563 V C 0.702 176.708 176.094 -0.146 0.000 1.459 563 V CA -0.190 62.029 62.300 -0.135 0.000 1.095 563 V CB -0.223 31.565 31.823 -0.059 0.000 0.997 563 V HN 0.752 nan 8.190 nan 0.000 0.469 564 G N 0.169 108.869 108.800 -0.167 0.000 2.559 564 G HA2 0.303 4.264 3.960 0.001 0.000 0.235 564 G HA3 0.303 4.264 3.960 0.001 0.000 0.235 564 G C 0.554 175.362 174.900 -0.154 0.000 1.266 564 G CA -0.163 44.856 45.100 -0.135 0.000 0.847 564 G HN 0.238 nan 8.290 nan 0.000 0.583 565 L N 1.020 122.213 121.223 -0.051 0.000 2.127 565 L HA -0.029 4.312 4.340 0.001 0.000 0.211 565 L C 2.969 179.908 176.870 0.115 0.000 1.089 565 L CA 2.383 57.250 54.840 0.044 0.000 0.757 565 L CB -0.144 41.945 42.059 0.050 0.000 0.899 565 L HN 0.768 nan 8.230 nan 0.000 0.434 566 T N -5.956 108.608 114.554 0.016 0.000 3.092 566 T HA 0.118 4.469 4.350 0.001 0.000 0.258 566 T C 0.565 175.228 174.700 -0.062 0.000 1.031 566 T CA -0.383 61.764 62.100 0.078 0.000 0.925 566 T CB -0.266 68.619 68.868 0.028 0.000 1.036 566 T HN -0.013 nan 8.240 nan 0.000 0.544 567 D N 2.279 122.477 120.400 -0.337 0.000 2.688 567 D HA 0.236 4.877 4.640 0.001 0.000 0.228 567 D C -1.132 174.693 176.300 -0.792 0.000 1.116 567 D CA 0.187 53.911 54.000 -0.460 0.000 1.023 567 D CB -0.262 40.298 40.800 -0.401 0.000 1.100 567 D HN 0.478 nan 8.370 nan 0.000 0.487 568 Y N -0.456 119.681 120.300 -0.272 0.000 2.534 568 Y HA 0.415 4.966 4.550 0.001 0.000 0.345 568 Y C 0.226 175.801 175.900 -0.542 0.000 1.031 568 Y CA -0.973 56.815 58.100 -0.519 0.000 1.022 568 Y CB 1.524 39.440 38.460 -0.906 0.000 1.292 568 Y HN -0.065 nan 8.280 nan 0.000 0.459 569 I N 3.889 124.252 120.570 -0.344 0.000 2.307 569 I HA 0.291 4.462 4.170 0.001 0.000 0.289 569 I C -1.080 174.780 176.117 -0.428 0.000 1.021 569 I CA -0.339 60.781 61.300 -0.300 0.000 1.224 569 I CB 0.378 38.276 38.000 -0.171 0.000 1.376 569 I HN 0.360 nan 8.210 nan 0.000 0.470 570 F N 4.615 124.401 119.950 -0.272 0.000 2.394 570 F HA 0.514 5.042 4.527 0.001 0.000 0.340 570 F C 0.739 176.410 175.800 -0.215 0.000 1.105 570 F CA -0.231 57.558 58.000 -0.352 0.000 1.124 570 F CB 1.595 40.034 39.000 -0.935 0.000 1.145 570 F HN 0.437 nan 8.300 nan 0.000 0.505 571 S N 1.375 117.138 115.700 0.105 0.000 2.607 571 S HA 0.979 5.450 4.470 0.001 0.000 0.273 571 S C -1.152 173.579 174.600 0.219 0.000 1.148 571 S CA -0.793 57.486 58.200 0.131 0.000 0.833 571 S CB 1.983 65.272 63.200 0.147 0.000 1.130 571 S HN 1.102 nan 8.310 nan 0.000 0.470 572 A N 0.172 123.147 122.820 0.259 0.000 2.604 572 A HA 0.848 5.169 4.320 0.001 0.000 0.295 572 A C -1.469 176.307 177.584 0.320 0.000 1.067 572 A CA -0.690 51.499 52.037 0.253 0.000 0.683 572 A CB 1.471 20.596 19.000 0.210 0.000 1.281 572 A HN 1.793 nan 8.150 nan 0.000 0.407 573 V N 1.396 121.406 119.914 0.161 0.000 2.735 573 V HA 0.857 4.978 4.120 0.001 0.000 0.310 573 V C -0.249 175.824 176.094 -0.036 0.000 1.061 573 V CA 0.334 62.637 62.300 0.005 0.000 0.913 573 V CB 2.143 33.668 31.823 -0.498 0.000 1.005 573 V HN 1.839 nan 8.190 nan 0.000 0.428 574 S N 6.693 122.387 115.700 -0.010 0.000 2.542 574 S HA 0.859 5.330 4.470 0.001 0.000 0.293 574 S C -0.921 173.680 174.600 0.003 0.000 1.089 574 S CA -0.853 57.352 58.200 0.009 0.000 0.961 574 S CB 1.905 65.137 63.200 0.055 0.000 1.062 574 S HN 0.712 nan 8.310 nan 0.000 0.483 575 M N 2.823 122.434 119.600 0.018 0.000 2.204 575 M HA 0.513 4.994 4.480 0.001 0.000 0.293 575 M C -1.088 175.254 176.300 0.070 0.000 0.994 575 M CA -0.331 54.995 55.300 0.044 0.000 0.925 575 M CB 2.487 35.097 32.600 0.017 0.000 1.577 575 M HN 0.932 nan 8.290 nan 0.000 0.439 576 S N 2.306 118.070 115.700 0.107 0.000 2.546 576 S HA 0.782 5.253 4.470 0.001 0.000 0.272 576 S C -3.199 171.470 174.600 0.115 0.000 1.140 576 S CA -1.545 56.724 58.200 0.115 0.000 0.920 576 S CB 1.827 65.110 63.200 0.139 0.000 1.083 576 S HN 0.285 nan 8.310 nan 0.000 0.476 577 P HA 0.350 nan 4.420 nan 0.000 0.275 577 P C 0.835 178.161 177.300 0.042 0.000 1.228 577 P CA -0.389 62.745 63.100 0.056 0.000 0.786 577 P CB 0.559 32.283 31.700 0.041 0.000 0.927 578 A N 2.863 125.710 122.820 0.045 0.000 1.917 578 A HA -0.248 4.072 4.320 0.001 0.000 0.219 578 A C 1.742 179.347 177.584 0.035 0.000 1.182 578 A CA 1.917 53.980 52.037 0.043 0.000 0.633 578 A CB -1.153 17.876 19.000 0.049 0.000 0.819 578 A HN 0.560 nan 8.150 nan 0.000 0.448 579 E N -0.961 119.257 120.200 0.030 0.000 2.158 579 E HA -0.013 4.338 4.350 0.001 0.000 0.191 579 E C 0.483 177.094 176.600 0.017 0.000 0.982 579 E CA 1.003 57.418 56.400 0.025 0.000 0.823 579 E CB 0.063 29.777 29.700 0.023 0.000 0.766 579 E HN 0.530 nan 8.360 nan 0.000 0.468 580 N N -0.114 118.593 118.700 0.011 0.000 2.697 580 N HA 0.180 4.921 4.740 0.001 0.000 0.253 580 N C -2.961 172.538 175.510 -0.018 0.000 1.604 580 N CA -1.895 51.154 53.050 -0.002 0.000 0.772 580 N CB 0.620 39.104 38.487 -0.006 0.000 1.267 580 N HN -0.206 nan 8.380 nan 0.000 0.510 581 P HA 0.097 nan 4.420 nan 0.000 0.265 581 P C -0.000 177.238 177.300 -0.103 0.000 1.187 581 P CA 0.241 63.327 63.100 -0.024 0.000 0.766 581 P CB 0.995 32.699 31.700 0.008 0.000 0.820 582 D N 0.922 121.197 120.400 -0.209 0.000 2.431 582 D HA 0.130 4.771 4.640 0.001 0.000 0.227 582 D C 0.010 175.879 176.300 -0.718 0.000 1.030 582 D CA 1.012 54.682 54.000 -0.550 0.000 0.897 582 D CB 0.223 40.514 40.800 -0.849 0.000 1.058 582 D HN 0.271 nan 8.370 nan 0.000 0.500 583 F N 0.629 120.607 119.950 0.047 0.000 2.556 583 F HA 0.482 5.010 4.527 0.001 0.000 0.314 583 F C -0.090 175.744 175.800 0.056 0.000 1.106 583 F CA -0.928 57.105 58.000 0.056 0.000 0.911 583 F CB 1.839 40.869 39.000 0.051 0.000 1.190 583 F HN -0.362 nan 8.300 nan 0.000 0.448 584 I N 4.206 124.931 120.570 0.258 0.000 2.378 584 I HA 0.458 4.629 4.170 0.001 0.000 0.291 584 I C -1.248 174.990 176.117 0.202 0.000 0.992 584 I CA -0.899 60.507 61.300 0.176 0.000 1.154 584 I CB 1.899 39.993 38.000 0.157 0.000 1.315 584 I HN 0.364 nan 8.210 nan 0.000 0.448 585 L N 7.686 129.008 121.223 0.164 0.000 2.362 585 L HA 0.536 4.877 4.340 0.001 0.000 0.275 585 L C -1.662 175.371 176.870 0.271 0.000 0.998 585 L CA -0.447 54.515 54.840 0.204 0.000 0.820 585 L CB 1.447 43.599 42.059 0.155 0.000 1.270 585 L HN 0.423 nan 8.230 nan 0.000 0.415 586 Y N 4.958 125.355 120.300 0.161 0.000 2.338 586 Y HA 0.742 5.293 4.550 0.001 0.000 0.333 586 Y C -1.452 174.561 175.900 0.188 0.000 0.968 586 Y CA -1.268 56.944 58.100 0.185 0.000 1.123 586 Y CB 1.752 40.378 38.460 0.277 0.000 1.165 586 Y HN 0.354 nan 8.280 nan 0.000 0.452 587 V N 5.141 125.097 119.914 0.071 0.000 2.638 587 V HA 0.643 4.763 4.120 0.001 0.000 0.306 587 V C -0.486 175.514 176.094 -0.156 0.000 1.052 587 V CA -0.627 61.665 62.300 -0.014 0.000 0.885 587 V CB 2.094 34.019 31.823 0.169 0.000 0.999 587 V HN 0.828 nan 8.190 nan 0.000 0.424 588 T N 1.207 115.625 114.554 -0.227 0.000 2.876 588 T HA 0.825 5.176 4.350 0.001 0.000 0.289 588 T C -1.130 173.463 174.700 -0.180 0.000 1.014 588 T CA -0.730 61.239 62.100 -0.217 0.000 0.986 588 T CB 1.851 70.510 68.868 -0.349 0.000 1.021 588 T HN 0.368 nan 8.240 nan 0.000 0.458 589 V N 3.270 123.090 119.914 -0.156 0.000 2.482 589 V HA 0.476 4.597 4.120 0.001 0.000 0.295 589 V C -0.369 175.654 176.094 -0.120 0.000 1.026 589 V CA -0.751 61.438 62.300 -0.185 0.000 0.856 589 V CB 1.502 33.175 31.823 -0.250 0.000 1.001 589 V HN 1.042 nan 8.190 nan 0.000 0.424 590 Q N 3.469 123.212 119.800 -0.095 0.000 2.290 590 Q HA 0.475 4.816 4.340 0.001 0.000 0.259 590 Q C -0.201 175.781 176.000 -0.030 0.000 0.941 590 Q CA -0.367 55.404 55.803 -0.053 0.000 0.912 590 Q CB 0.968 29.707 28.738 0.001 0.000 1.244 590 Q HN 0.731 nan 8.270 nan 0.000 0.441 591 Q N 1.730 121.517 119.800 -0.022 0.000 2.451 591 Q HA -0.171 4.170 4.340 0.001 0.000 0.305 591 Q C -2.297 173.699 176.000 -0.006 0.000 1.345 591 Q CA 0.258 56.052 55.803 -0.015 0.000 0.854 591 Q CB -1.096 27.616 28.738 -0.043 0.000 1.162 591 Q HN 0.543 nan 8.270 nan 0.000 0.440 592 P HA 0.003 nan 4.420 nan 0.000 0.276 592 P C 0.071 177.364 177.300 -0.011 0.000 1.244 592 P CA 0.012 63.117 63.100 0.009 0.000 0.801 592 P CB 0.812 32.541 31.700 0.047 0.000 1.006 593 E N -0.079 120.052 120.200 -0.115 0.000 2.072 593 E HA -0.084 4.267 4.350 0.001 0.000 0.190 593 E C 0.336 176.663 176.600 -0.456 0.000 0.982 593 E CA 1.029 57.243 56.400 -0.310 0.000 0.803 593 E CB -0.050 29.389 29.700 -0.436 0.000 0.755 593 E HN 0.594 nan 8.360 nan 0.000 0.453 594 H N -1.725 117.367 119.070 0.036 0.000 2.690 594 H HA 0.406 4.963 4.556 0.001 0.000 0.368 594 H C -1.450 173.904 175.328 0.043 0.000 1.150 594 H CA -0.668 55.397 56.048 0.028 0.000 1.174 594 H CB 1.600 31.362 29.762 -0.001 0.000 1.684 594 H HN 0.012 nan 8.280 nan 0.000 0.538 595 Y N 1.165 121.419 120.300 -0.077 0.000 2.480 595 Y HA 0.358 4.909 4.550 0.001 0.000 0.329 595 Y C -1.313 174.417 175.900 -0.282 0.000 1.127 595 Y CA -0.467 57.469 58.100 -0.274 0.000 1.037 595 Y CB 1.885 39.917 38.460 -0.713 0.000 1.320 595 Y HN 0.863 nan 8.280 nan 0.000 0.446 596 S N 1.784 116.957 115.700 -0.879 0.000 2.625 596 S HA 0.512 4.983 4.470 0.001 0.000 0.271 596 S C 0.486 174.642 174.600 -0.739 0.000 1.161 596 S CA -0.401 57.431 58.200 -0.613 0.000 0.820 596 S CB 1.163 64.200 63.200 -0.272 0.000 1.137 596 S HN 1.257 nan 8.310 nan 0.000 0.470 597 G N 0.768 109.361 108.800 -0.346 0.000 2.450 597 G HA2 -0.061 3.899 3.960 0.001 0.000 0.220 597 G HA3 -0.061 3.899 3.960 0.001 0.000 0.220 597 G C 1.187 175.969 174.900 -0.197 0.000 1.130 597 G CA 0.910 45.888 45.100 -0.203 0.000 0.760 597 G HN 0.640 nan 8.290 nan 0.000 0.557 598 I N 0.704 121.160 120.570 -0.191 0.000 2.118 598 I HA -0.236 3.935 4.170 0.001 0.000 0.241 598 I C 2.833 178.842 176.117 -0.179 0.000 1.070 598 I CA 1.590 62.798 61.300 -0.154 0.000 1.327 598 I CB -1.120 36.804 38.000 -0.125 0.000 1.034 598 I HN 0.278 nan 8.210 nan 0.000 0.405 599 Q N -0.078 119.589 119.800 -0.221 0.000 2.167 599 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 599 Q C 2.148 177.927 176.000 -0.369 0.000 0.970 599 Q CA 1.003 56.692 55.803 -0.190 0.000 0.855 599 Q CB -0.224 28.482 28.738 -0.054 0.000 0.911 599 Q HN 0.361 nan 8.270 nan 0.000 0.438 600 L N 0.008 121.031 121.223 -0.334 0.000 2.017 600 L HA -0.052 4.289 4.340 0.001 0.000 0.208 600 L C 2.024 178.760 176.870 -0.224 0.000 1.073 600 L CA 2.258 56.919 54.840 -0.298 0.000 0.745 600 L CB -1.020 41.021 42.059 -0.030 0.000 0.894 600 L HN 0.203 nan 8.230 nan 0.000 0.432 601 G N -1.150 107.552 108.800 -0.164 0.000 2.440 601 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 601 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 601 G C 1.420 176.233 174.900 -0.145 0.000 1.154 601 G CA 0.824 45.849 45.100 -0.123 0.000 0.767 601 G HN 0.556 nan 8.290 nan 0.000 0.552 602 E N -0.691 119.406 120.200 -0.171 0.000 2.204 602 E HA -0.076 4.275 4.350 0.001 0.000 0.195 602 E C 1.934 178.422 176.600 -0.186 0.000 0.990 602 E CA 0.625 56.934 56.400 -0.151 0.000 0.821 602 E CB -0.129 29.497 29.700 -0.124 0.000 0.750 602 E HN 0.562 nan 8.360 nan 0.000 0.477 603 F N 0.819 120.484 119.950 -0.475 0.000 2.188 603 F HA 0.110 4.638 4.527 0.002 0.000 0.289 603 F C 2.168 177.769 175.800 -0.331 0.000 1.082 603 F CA 1.174 58.864 58.000 -0.517 0.000 1.282 603 F CB -0.253 38.135 39.000 -1.021 0.000 1.060 603 F HN -0.077 nan 8.300 nan 0.000 0.493 604 A N 0.622 123.304 122.820 -0.231 0.000 1.897 604 A HA -0.098 4.223 4.320 0.001 0.000 0.215 604 A C 1.948 179.409 177.584 -0.205 0.000 1.181 604 A CA 1.584 53.495 52.037 -0.210 0.000 0.620 604 A CB -0.904 18.104 19.000 0.013 0.000 0.821 604 A HN 0.494 nan 8.150 nan 0.000 0.443 605 N N 0.367 118.978 118.700 -0.147 0.000 2.058 605 N HA -0.092 4.649 4.740 0.001 0.000 0.191 605 N C -0.870 174.594 175.510 -0.077 0.000 1.037 605 N CA 1.745 54.738 53.050 -0.095 0.000 0.848 605 N CB -1.800 36.643 38.487 -0.074 0.000 1.021 605 N HN 0.300 nan 8.380 nan 0.000 0.422 606 P HA -0.021 nan 4.420 nan 0.000 0.219 606 P C 1.396 178.785 177.300 0.147 0.000 1.146 606 P CA 0.831 63.972 63.100 0.068 0.000 0.808 606 P CB 0.047 31.856 31.700 0.182 0.000 0.779 607 I N -1.595 118.944 120.570 -0.053 0.000 2.286 607 I HA -0.163 4.008 4.170 0.001 0.000 0.245 607 I C 2.264 178.306 176.117 -0.126 0.000 1.104 607 I CA 1.069 62.317 61.300 -0.086 0.000 1.397 607 I CB -0.558 37.230 38.000 -0.353 0.000 1.072 607 I HN -0.116 nan 8.210 nan 0.000 0.417 608 L N 0.431 121.571 121.223 -0.139 0.000 2.083 608 L HA -0.200 4.141 4.340 0.001 0.000 0.209 608 L C 2.536 179.331 176.870 -0.125 0.000 1.083 608 L CA 1.510 56.261 54.840 -0.147 0.000 0.752 608 L CB -0.585 41.433 42.059 -0.067 0.000 0.899 608 L HN 0.298 nan 8.230 nan 0.000 0.433 609 E N 0.002 120.160 120.200 -0.070 0.000 2.031 609 E HA -0.237 4.114 4.350 0.001 0.000 0.193 609 E C 2.328 178.886 176.600 -0.071 0.000 0.994 609 E CA 1.096 57.466 56.400 -0.050 0.000 0.800 609 E CB -0.055 29.624 29.700 -0.034 0.000 0.752 609 E HN 0.348 nan 8.360 nan 0.000 0.447 610 R N 0.368 120.820 120.500 -0.081 0.000 2.120 610 R HA -0.118 4.222 4.340 0.001 0.000 0.234 610 R C 2.249 178.471 176.300 -0.130 0.000 1.123 610 R CA 1.150 57.186 56.100 -0.106 0.000 0.975 610 R CB -0.211 30.011 30.300 -0.131 0.000 0.866 610 R HN 0.130 nan 8.270 nan 0.000 0.446 611 A N -0.030 122.644 122.820 -0.243 0.000 1.858 611 A HA -0.152 4.168 4.320 0.001 0.000 0.216 611 A C 2.151 179.590 177.584 -0.242 0.000 1.190 611 A CA 1.850 53.590 52.037 -0.495 0.000 0.617 611 A CB -0.612 17.684 19.000 -1.173 0.000 0.827 611 A HN 0.271 nan 8.150 nan 0.000 0.443 612 S N -0.038 115.614 115.700 -0.081 0.000 2.383 612 S HA -0.085 4.386 4.470 0.001 0.000 0.229 612 S C 2.079 176.754 174.600 0.125 0.000 1.030 612 S CA 1.198 59.517 58.200 0.198 0.000 1.002 612 S CB -0.432 62.848 63.200 0.135 0.000 0.829 612 S HN 0.809 nan 8.310 nan 0.000 0.467 613 A N 0.088 122.931 122.820 0.039 0.000 2.239 613 A HA 0.217 4.537 4.320 0.001 0.000 0.209 613 A C 1.724 179.328 177.584 0.033 0.000 1.171 613 A CA 0.720 52.770 52.037 0.023 0.000 0.768 613 A CB -0.416 18.574 19.000 -0.016 0.000 0.790 613 A HN 0.505 nan 8.150 nan 0.000 0.478 614 M N -1.966 117.672 119.600 0.063 0.000 2.306 614 M HA 0.152 4.633 4.480 0.001 0.000 0.292 614 M C 1.622 178.000 176.300 0.130 0.000 1.018 614 M CA 0.017 55.360 55.300 0.072 0.000 1.007 614 M CB 0.357 32.985 32.600 0.046 0.000 1.510 614 M HN 0.297 nan 8.290 nan 0.000 0.537 615 K N 1.272 121.783 120.400 0.184 0.000 2.144 615 K HA -0.252 4.069 4.320 0.001 0.000 0.209 615 K C 0.660 177.315 176.600 0.092 0.000 1.047 615 K CA 2.148 58.540 56.287 0.175 0.000 0.927 615 K CB 0.051 32.628 32.500 0.129 0.000 0.716 615 K HN 0.332 nan 8.250 nan 0.000 0.454 616 D N -0.551 119.889 120.400 0.067 0.000 2.077 616 D HA -0.144 4.496 4.640 0.001 0.000 0.197 616 D C 2.053 178.379 176.300 0.044 0.000 0.983 616 D CA 1.987 56.013 54.000 0.043 0.000 0.841 616 D CB -0.277 40.541 40.800 0.031 0.000 0.992 616 D HN 0.267 nan 8.370 nan 0.000 0.450 617 S N 0.445 116.172 115.700 0.045 0.000 2.387 617 S HA -0.166 4.305 4.470 0.001 0.000 0.230 617 S C 1.137 175.768 174.600 0.052 0.000 1.035 617 S CA 0.569 58.793 58.200 0.041 0.000 1.014 617 S CB -0.972 62.249 63.200 0.035 0.000 0.836 617 S HN 0.199 nan 8.310 nan 0.000 0.466 618 L N 3.007 124.276 121.223 0.077 0.000 2.536 618 L HA 0.265 4.606 4.340 0.001 0.000 0.282 618 L C 0.308 177.219 176.870 0.068 0.000 1.174 618 L CA -0.394 54.501 54.840 0.092 0.000 0.989 618 L CB -0.957 41.192 42.059 0.150 0.000 1.311 618 L HN 0.124 nan 8.230 nan 0.000 0.455 619 N N 3.777 122.506 118.700 0.047 0.000 2.434 619 N HA 0.203 4.944 4.740 0.001 0.000 0.273 619 N C -0.217 175.308 175.510 0.026 0.000 1.210 619 N CA 0.095 53.162 53.050 0.028 0.000 0.992 619 N CB 0.205 38.701 38.487 0.015 0.000 1.355 619 N HN 0.428 nan 8.380 nan 0.000 0.495 620 L N 0.000 121.236 121.223 0.021 0.000 2.949 620 L HA 0.000 4.341 4.340 0.001 0.000 0.249 620 L CA 0.000 54.849 54.840 0.015 0.000 0.813 620 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 620 L HN 0.000 nan 8.230 nan 0.000 0.502