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 2ii4_1_F DATA FIRST_RESID 188 DATA SEQUENCE GKDRTEPVKG FHKAMVKTMS AALKIPHFGY CDEVDLTELV KLREELKPIA DATA SEQUENCE FARGIKLSFM PFFLKAASLG LLQFPILNAS VDENCQNITY KASHNIGIAM DATA SEQUENCE DTEQGLIVPN VKNVQIRSIF EIATELNRLQ KLGSAGQLST NDLIGGTFTL DATA SEQUENCE SNIGSIGGTY AKPVILPPEV AIGALGTIKA LPRFNEKGEV CKAQIMNVSW DATA SEQUENCE SADHRIIDGA TVSRFSNLWK SYLENPAFML LDLK 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 188 G HA2 0.000 nan 3.960 nan 0.000 0.244 188 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 188 G C 0.000 174.898 174.900 -0.004 0.000 0.946 188 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 189 K N 1.163 121.560 120.400 -0.004 0.000 2.375 189 K HA 0.500 4.820 4.320 -0.000 0.000 0.249 189 K C -1.451 175.146 176.600 -0.005 0.000 0.942 189 K CA -0.771 55.513 56.287 -0.004 0.000 0.806 189 K CB 1.960 34.458 32.500 -0.003 0.000 1.227 189 K HN 0.003 nan 8.250 nan 0.000 0.430 190 D N 2.083 122.480 120.400 -0.005 0.000 2.455 190 D HA 0.028 4.668 4.640 -0.000 0.000 0.241 190 D C -0.308 175.989 176.300 -0.006 0.000 1.138 190 D CA 0.498 54.495 54.000 -0.007 0.000 0.877 190 D CB 0.661 41.456 40.800 -0.007 0.000 1.187 190 D HN 0.249 nan 8.370 nan 0.000 0.451 191 R N 0.970 121.465 120.500 -0.007 0.000 2.437 191 R HA 0.388 4.728 4.340 -0.000 0.000 0.310 191 R C -0.976 175.319 176.300 -0.008 0.000 0.955 191 R CA -0.528 55.568 56.100 -0.007 0.000 0.851 191 R CB 0.982 31.277 30.300 -0.007 0.000 1.161 191 R HN 0.279 nan 8.270 nan 0.000 0.446 192 T N 4.184 118.734 114.554 -0.007 0.000 2.795 192 T HA 0.303 4.653 4.350 -0.000 0.000 0.282 192 T C -0.970 173.727 174.700 -0.005 0.000 0.980 192 T CA -0.643 61.452 62.100 -0.007 0.000 1.012 192 T CB 1.172 70.037 68.868 -0.006 0.000 0.936 192 T HN 0.683 nan 8.240 nan 0.000 0.457 193 E N 2.040 122.236 120.200 -0.007 0.000 2.321 193 E HA 0.507 4.857 4.350 -0.000 0.000 0.281 193 E C -2.972 173.627 176.600 -0.002 0.000 0.910 193 E CA -2.143 54.256 56.400 -0.003 0.000 0.770 193 E CB 0.505 30.203 29.700 -0.003 0.000 1.225 193 E HN 0.216 nan 8.360 nan 0.000 0.417 194 P HA -0.088 nan 4.420 nan 0.000 0.262 194 P C -0.528 176.781 177.300 0.015 0.000 1.151 194 P CA -0.056 63.050 63.100 0.011 0.000 0.757 194 P CB 0.321 32.031 31.700 0.018 0.000 0.754 195 V N 4.635 124.557 119.914 0.013 0.000 2.434 195 V HA -0.079 4.041 4.120 -0.000 0.000 0.281 195 V C 1.301 177.433 176.094 0.064 0.000 1.005 195 V CA 0.279 62.595 62.300 0.026 0.000 1.089 195 V CB -0.769 31.064 31.823 0.016 0.000 0.978 195 V HN 0.596 nan 8.190 nan 0.000 0.474 196 K N 4.420 124.888 120.400 0.112 0.000 2.386 196 K HA 0.481 4.801 4.320 -0.000 0.000 0.249 196 K C 1.549 178.234 176.600 0.143 0.000 1.055 196 K CA -0.090 56.278 56.287 0.134 0.000 0.930 196 K CB 0.059 32.662 32.500 0.172 0.000 1.230 196 K HN 0.392 nan 8.250 nan 0.000 0.507 197 G N 0.496 109.366 108.800 0.117 0.000 2.666 197 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.215 197 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.215 197 G C 1.141 176.093 174.900 0.087 0.000 1.294 197 G CA 0.707 45.860 45.100 0.089 0.000 0.811 197 G HN 0.616 nan 8.290 nan 0.000 0.594 198 F N 2.005 121.888 119.950 -0.113 0.000 2.111 198 F HA -0.217 4.309 4.527 -0.000 0.000 0.300 198 F C 2.631 178.315 175.800 -0.193 0.000 1.088 198 F CA 2.193 60.075 58.000 -0.195 0.000 1.243 198 F CB -0.839 37.972 39.000 -0.315 0.000 0.996 198 F HN 0.370 nan 8.300 nan 0.000 0.483 199 H N -0.723 118.304 119.070 -0.071 0.000 2.560 199 H HA -0.051 4.505 4.556 -0.000 0.000 0.283 199 H C 2.045 177.266 175.328 -0.179 0.000 1.028 199 H CA 1.003 56.942 56.048 -0.182 0.000 1.221 199 H CB -0.185 29.545 29.762 -0.055 0.000 1.363 199 H HN 0.282 nan 8.280 nan 0.000 0.594 200 K N 0.309 120.672 120.400 -0.062 0.000 2.217 200 K HA -0.009 4.311 4.320 -0.000 0.000 0.202 200 K C 2.378 178.915 176.600 -0.106 0.000 1.051 200 K CA 0.614 56.868 56.287 -0.053 0.000 0.952 200 K CB 0.051 32.540 32.500 -0.019 0.000 0.736 200 K HN 0.289 nan 8.250 nan 0.000 0.453 201 A N 1.620 124.319 122.820 -0.201 0.000 1.892 201 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 201 A C 2.128 179.609 177.584 -0.172 0.000 1.188 201 A CA 1.666 53.580 52.037 -0.205 0.000 0.631 201 A CB -0.480 18.329 19.000 -0.319 0.000 0.822 201 A HN 0.250 nan 8.150 nan 0.000 0.447 202 M N -0.603 118.870 119.600 -0.212 0.000 2.117 202 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 202 M C 2.060 178.314 176.300 -0.076 0.000 1.065 202 M CA 1.726 56.948 55.300 -0.130 0.000 1.114 202 M CB -0.283 32.249 32.600 -0.114 0.000 1.361 202 M HN 0.279 nan 8.290 nan 0.000 0.408 203 V N 0.485 120.359 119.914 -0.066 0.000 2.282 203 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 203 V C 2.269 178.341 176.094 -0.037 0.000 1.057 203 V CA 2.245 64.520 62.300 -0.042 0.000 1.032 203 V CB -0.866 30.939 31.823 -0.030 0.000 0.645 203 V HN 0.509 nan 8.190 nan 0.000 0.447 204 K N -0.485 119.890 120.400 -0.042 0.000 2.025 204 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 204 K C 2.286 178.870 176.600 -0.026 0.000 1.049 204 K CA 1.886 58.154 56.287 -0.031 0.000 0.933 204 K CB -0.320 32.161 32.500 -0.031 0.000 0.714 204 K HN 0.479 nan 8.250 nan 0.000 0.438 205 T N 1.507 116.040 114.554 -0.035 0.000 2.708 205 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 205 T C 1.772 176.463 174.700 -0.014 0.000 1.037 205 T CA 1.405 63.490 62.100 -0.024 0.000 1.146 205 T CB -0.052 68.795 68.868 -0.034 0.000 0.865 205 T HN 0.168 nan 8.240 nan 0.000 0.435 206 M N 1.259 120.846 119.600 -0.023 0.000 2.229 206 M HA 0.060 4.540 4.480 -0.000 0.000 0.264 206 M C 2.505 178.798 176.300 -0.012 0.000 1.063 206 M CA 1.008 56.297 55.300 -0.018 0.000 1.114 206 M CB -1.411 31.171 32.600 -0.031 0.000 1.387 206 M HN 0.117 nan 8.290 nan 0.000 0.420 207 S N 0.846 116.538 115.700 -0.013 0.000 2.387 207 S HA 0.023 4.493 4.470 -0.000 0.000 0.226 207 S C 2.083 176.684 174.600 0.002 0.000 1.026 207 S CA 1.121 59.316 58.200 -0.008 0.000 0.972 207 S CB -0.231 62.962 63.200 -0.011 0.000 0.814 207 S HN 0.562 nan 8.310 nan 0.000 0.477 208 A N 1.520 124.343 122.820 0.004 0.000 1.969 208 A HA 0.213 4.533 4.320 -0.000 0.000 0.218 208 A C 2.300 179.901 177.584 0.028 0.000 1.169 208 A CA 1.427 53.471 52.037 0.010 0.000 0.635 208 A CB -0.917 18.086 19.000 0.005 0.000 0.810 208 A HN 0.489 nan 8.150 nan 0.000 0.445 209 A N -0.009 122.835 122.820 0.040 0.000 2.024 209 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 209 A C 2.024 179.681 177.584 0.121 0.000 1.164 209 A CA 1.435 53.529 52.037 0.096 0.000 0.643 209 A CB -0.654 18.407 19.000 0.101 0.000 0.806 209 A HN 0.501 nan 8.150 nan 0.000 0.451 210 L N -0.881 120.375 121.223 0.055 0.000 2.189 210 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 210 L C 2.301 179.208 176.870 0.062 0.000 1.097 210 L CA 1.583 56.450 54.840 0.045 0.000 0.764 210 L CB -0.359 41.709 42.059 0.015 0.000 0.900 210 L HN 0.362 nan 8.230 nan 0.000 0.436 211 K N -0.022 120.410 120.400 0.054 0.000 2.439 211 K HA 0.068 4.388 4.320 -0.000 0.000 0.197 211 K C 0.442 177.072 176.600 0.050 0.000 1.041 211 K CA 0.424 56.735 56.287 0.041 0.000 0.970 211 K CB 0.083 32.597 32.500 0.023 0.000 0.773 211 K HN 0.285 nan 8.250 nan 0.000 0.479 212 I N 3.181 123.802 120.570 0.085 0.000 2.315 212 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 212 I C -2.346 173.854 176.117 0.137 0.000 1.006 212 I CA -2.618 58.711 61.300 0.048 0.000 1.265 212 I CB 1.086 39.047 38.000 -0.064 0.000 1.387 212 I HN -0.230 nan 8.210 nan 0.000 0.475 213 P HA 0.185 nan 4.420 nan 0.000 0.280 213 P C -0.989 176.421 177.300 0.184 0.000 1.300 213 P CA -0.207 62.987 63.100 0.157 0.000 0.785 213 P CB 0.109 31.870 31.700 0.101 0.000 0.874 214 H N 2.623 121.758 119.070 0.108 0.000 2.620 214 H HA 0.336 4.892 4.556 -0.000 0.000 0.313 214 H C -0.353 175.086 175.328 0.185 0.000 1.075 214 H CA 0.068 56.185 56.048 0.115 0.000 1.397 214 H CB 0.043 29.833 29.762 0.047 0.000 1.446 214 H HN 0.312 nan 8.280 nan 0.000 0.493 215 F N 2.448 122.466 119.950 0.113 0.000 2.422 215 F HA 0.621 5.148 4.527 -0.000 0.000 0.333 215 F C 0.318 176.161 175.800 0.070 0.000 1.095 215 F CA -0.660 57.376 58.000 0.059 0.000 1.038 215 F CB 1.222 40.094 39.000 -0.212 0.000 1.156 215 F HN 0.528 nan 8.300 nan 0.000 0.483 216 G N 4.144 112.416 108.800 -0.880 0.000 2.542 216 G HA2 0.503 4.463 3.960 -0.000 0.000 0.311 216 G HA3 0.503 4.463 3.960 -0.000 0.000 0.311 216 G C -2.615 171.796 174.900 -0.814 0.000 1.298 216 G CA -0.613 44.152 45.100 -0.558 0.000 0.973 216 G HN 0.791 nan 8.290 nan 0.000 0.487 217 Y N 0.610 120.641 120.300 -0.449 0.000 2.470 217 Y HA 0.635 5.185 4.550 -0.000 0.000 0.341 217 Y C -0.858 175.041 175.900 -0.003 0.000 1.021 217 Y CA -1.330 56.641 58.100 -0.215 0.000 1.025 217 Y CB 1.578 40.058 38.460 0.033 0.000 1.266 217 Y HN 0.680 nan 8.280 nan 0.000 0.448 218 C N 4.701 123.677 119.300 -0.540 0.000 2.707 218 C HA 0.732 5.192 4.460 -0.000 0.000 0.313 218 C C -0.911 173.857 174.990 -0.370 0.000 1.209 218 C CA -0.422 58.397 59.018 -0.332 0.000 1.635 218 C CB 1.793 29.231 27.740 -0.503 0.000 2.206 218 C HN 0.920 nan 8.230 nan 0.000 0.485 219 D N -0.162 120.251 120.400 0.021 0.000 2.664 219 D HA 0.446 5.085 4.640 -0.000 0.000 0.292 219 D C -1.398 175.023 176.300 0.203 0.000 1.214 219 D CA -0.289 53.766 54.000 0.092 0.000 0.932 219 D CB 1.892 42.806 40.800 0.190 0.000 1.420 219 D HN 0.788 nan 8.370 nan 0.000 0.471 220 E N 0.031 120.316 120.200 0.141 0.000 2.227 220 E HA 0.616 4.966 4.350 -0.000 0.000 0.268 220 E C -1.590 175.052 176.600 0.069 0.000 0.907 220 E CA -0.863 55.581 56.400 0.074 0.000 0.786 220 E CB 2.306 32.030 29.700 0.040 0.000 1.191 220 E HN 0.096 nan 8.360 nan 0.000 0.411 221 V N 2.156 122.086 119.914 0.026 0.000 2.709 221 V HA 0.292 4.412 4.120 -0.000 0.000 0.308 221 V C -1.573 174.499 176.094 -0.037 0.000 1.062 221 V CA -0.765 61.543 62.300 0.013 0.000 0.901 221 V CB 1.989 33.828 31.823 0.026 0.000 1.003 221 V HN 0.889 nan 8.190 nan 0.000 0.425 222 D N 5.383 125.758 120.400 -0.041 0.000 2.428 222 D HA 0.269 4.909 4.640 -0.000 0.000 0.221 222 D C 0.550 176.809 176.300 -0.067 0.000 1.123 222 D CA -0.012 53.957 54.000 -0.052 0.000 0.869 222 D CB 1.033 41.810 40.800 -0.038 0.000 1.032 222 D HN 0.595 nan 8.370 nan 0.000 0.506 223 L N 3.216 124.395 121.223 -0.072 0.000 2.653 223 L HA 0.046 4.385 4.340 -0.000 0.000 0.232 223 L C 1.858 178.697 176.870 -0.051 0.000 1.169 223 L CA -0.046 54.754 54.840 -0.067 0.000 0.951 223 L CB -0.061 41.947 42.059 -0.085 0.000 1.181 223 L HN 0.301 nan 8.230 nan 0.000 0.460 224 T N -0.773 113.751 114.554 -0.050 0.000 2.652 224 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 224 T C 1.799 176.479 174.700 -0.034 0.000 1.039 224 T CA 1.239 63.317 62.100 -0.036 0.000 1.153 224 T CB 0.038 68.885 68.868 -0.034 0.000 0.863 224 T HN 0.295 nan 8.240 nan 0.000 0.428 225 E N 0.830 121.000 120.200 -0.051 0.000 2.051 225 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 225 E C 2.293 178.848 176.600 -0.075 0.000 0.991 225 E CA 0.656 57.021 56.400 -0.059 0.000 0.799 225 E CB -0.459 29.196 29.700 -0.074 0.000 0.748 225 E HN 0.380 nan 8.360 nan 0.000 0.449 226 L N 0.681 121.851 121.223 -0.089 0.000 2.081 226 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 226 L C 2.452 179.283 176.870 -0.066 0.000 1.080 226 L CA 1.093 55.848 54.840 -0.142 0.000 0.754 226 L CB -0.251 41.753 42.059 -0.091 0.000 0.893 226 L HN 0.036 nan 8.230 nan 0.000 0.433 227 V N -0.068 119.888 119.914 0.070 0.000 2.295 227 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 227 V C 2.567 178.670 176.094 0.015 0.000 1.049 227 V CA 1.996 64.385 62.300 0.149 0.000 1.024 227 V CB -0.543 31.359 31.823 0.132 0.000 0.648 227 V HN 0.470 nan 8.190 nan 0.000 0.447 228 K N -0.241 120.150 120.400 -0.015 0.000 1.985 228 K HA -0.225 4.094 4.320 -0.000 0.000 0.210 228 K C 2.261 178.827 176.600 -0.056 0.000 1.047 228 K CA 1.940 58.210 56.287 -0.028 0.000 0.932 228 K CB -0.407 32.078 32.500 -0.025 0.000 0.716 228 K HN 0.276 nan 8.250 nan 0.000 0.439 229 L N 1.935 123.106 121.223 -0.086 0.000 2.011 229 L HA -0.291 4.049 4.340 -0.000 0.000 0.225 229 L C 2.771 179.570 176.870 -0.118 0.000 1.084 229 L CA 2.338 57.113 54.840 -0.108 0.000 0.791 229 L CB -0.534 41.414 42.059 -0.185 0.000 0.898 229 L HN 0.281 nan 8.230 nan 0.000 0.440 230 R N -1.138 119.227 120.500 -0.224 0.000 2.120 230 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 230 R C 2.051 178.278 176.300 -0.123 0.000 1.123 230 R CA 1.242 57.207 56.100 -0.225 0.000 0.975 230 R CB -0.179 29.812 30.300 -0.514 0.000 0.866 230 R HN 0.400 nan 8.270 nan 0.000 0.446 231 E N 1.333 121.479 120.200 -0.089 0.000 2.051 231 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 231 E C 1.816 178.400 176.600 -0.026 0.000 0.991 231 E CA 1.862 58.235 56.400 -0.045 0.000 0.799 231 E CB -0.161 29.525 29.700 -0.025 0.000 0.748 231 E HN 0.670 nan 8.360 nan 0.000 0.449 232 E N 0.469 120.655 120.200 -0.022 0.000 2.204 232 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 232 E C 2.219 178.823 176.600 0.007 0.000 0.989 232 E CA 0.612 57.008 56.400 -0.008 0.000 0.824 232 E CB -0.336 29.360 29.700 -0.006 0.000 0.756 232 E HN 0.236 nan 8.360 nan 0.000 0.477 233 L N 0.729 121.961 121.223 0.015 0.000 2.313 233 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 233 L C 2.478 179.376 176.870 0.047 0.000 1.119 233 L CA 0.532 55.399 54.840 0.044 0.000 0.809 233 L CB -0.255 41.863 42.059 0.098 0.000 0.933 233 L HN 0.065 nan 8.230 nan 0.000 0.449 234 K N 0.595 121.012 120.400 0.029 0.000 2.032 234 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 234 K C -0.386 176.270 176.600 0.093 0.000 1.048 234 K CA 1.593 57.910 56.287 0.049 0.000 0.927 234 K CB -1.012 31.501 32.500 0.022 0.000 0.712 234 K HN 0.263 nan 8.250 nan 0.000 0.441 235 P HA -0.103 nan 4.420 nan 0.000 0.222 235 P C 1.094 178.463 177.300 0.114 0.000 1.147 235 P CA 1.129 64.279 63.100 0.083 0.000 0.790 235 P CB 0.001 31.714 31.700 0.022 0.000 0.780 236 I N -1.213 119.404 120.570 0.077 0.000 2.400 236 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 236 I C 2.340 178.497 176.117 0.066 0.000 1.109 236 I CA 0.846 62.174 61.300 0.047 0.000 1.425 236 I CB -0.954 37.052 38.000 0.010 0.000 1.094 236 I HN -0.115 nan 8.210 nan 0.000 0.425 237 A N 1.535 124.414 122.820 0.099 0.000 1.859 237 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 237 A C 2.290 179.951 177.584 0.128 0.000 1.198 237 A CA 1.802 53.916 52.037 0.130 0.000 0.629 237 A CB -1.217 17.853 19.000 0.117 0.000 0.830 237 A HN 0.411 nan 8.150 nan 0.000 0.446 238 F N 0.709 120.676 119.950 0.028 0.000 2.046 238 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 238 F C 2.637 178.451 175.800 0.022 0.000 1.123 238 F CA 1.781 59.794 58.000 0.022 0.000 1.199 238 F CB -0.401 38.605 39.000 0.010 0.000 0.972 238 F HN 0.260 nan 8.300 nan 0.000 0.474 239 A N 0.142 123.130 122.820 0.279 0.000 2.032 239 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 239 A C 2.072 179.680 177.584 0.041 0.000 1.165 239 A CA 1.873 54.007 52.037 0.161 0.000 0.645 239 A CB -0.707 18.362 19.000 0.114 0.000 0.807 239 A HN 0.546 nan 8.150 nan 0.000 0.453 240 R N -1.842 118.673 120.500 0.025 0.000 2.334 240 R HA 0.282 4.622 4.340 -0.000 0.000 0.216 240 R C 1.130 177.444 176.300 0.025 0.000 0.905 240 R CA 0.496 56.614 56.100 0.029 0.000 1.064 240 R CB 0.117 30.449 30.300 0.053 0.000 1.046 240 R HN 0.659 nan 8.270 nan 0.000 0.508 241 G N 1.019 109.763 108.800 -0.093 0.000 2.141 241 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.231 241 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.231 241 G C -0.063 174.755 174.900 -0.135 0.000 0.984 241 G CA -0.377 44.624 45.100 -0.166 0.000 0.660 241 G HN 0.117 nan 8.290 nan 0.000 0.525 242 I N 0.276 120.802 120.570 -0.073 0.000 2.474 242 I HA 0.435 4.605 4.170 -0.000 0.000 0.294 242 I C 0.336 176.435 176.117 -0.029 0.000 1.005 242 I CA -1.455 59.822 61.300 -0.040 0.000 1.113 242 I CB 1.682 39.699 38.000 0.028 0.000 1.289 242 I HN -0.003 nan 8.210 nan 0.000 0.436 243 K N 4.579 124.960 120.400 -0.031 0.000 2.258 243 K HA 0.426 4.746 4.320 -0.000 0.000 0.284 243 K C -0.734 175.864 176.600 -0.003 0.000 1.051 243 K CA -0.542 55.748 56.287 0.005 0.000 0.923 243 K CB 1.311 33.817 32.500 0.010 0.000 1.046 243 K HN 0.313 nan 8.250 nan 0.000 0.474 244 L N 3.396 124.624 121.223 0.009 0.000 2.276 244 L HA 0.242 4.582 4.340 -0.000 0.000 0.286 244 L C -0.034 176.800 176.870 -0.059 0.000 1.024 244 L CA 0.107 54.938 54.840 -0.017 0.000 0.826 244 L CB 0.986 43.055 42.059 0.016 0.000 1.211 244 L HN 0.740 nan 8.230 nan 0.000 0.422 245 S N 3.331 118.993 115.700 -0.063 0.000 2.647 245 S HA 0.417 4.887 4.470 -0.000 0.000 0.284 245 S C 0.927 175.406 174.600 -0.201 0.000 1.134 245 S CA -0.347 57.793 58.200 -0.099 0.000 1.027 245 S CB 0.250 63.474 63.200 0.039 0.000 1.180 245 S HN 0.458 nan 8.310 nan 0.000 0.521 246 F N 0.281 120.183 119.950 -0.080 0.000 2.558 246 F HA 0.122 4.649 4.527 -0.000 0.000 0.298 246 F C 2.448 177.920 175.800 -0.546 0.000 1.119 246 F CA 0.272 58.060 58.000 -0.354 0.000 1.451 246 F CB -0.387 38.215 39.000 -0.665 0.000 1.091 246 F HN 0.278 nan 8.300 nan 0.000 0.563 247 M N 0.310 119.873 119.600 -0.062 0.000 2.080 247 M HA -0.122 4.357 4.480 -0.000 0.000 0.260 247 M C -0.424 175.920 176.300 0.073 0.000 1.068 247 M CA 1.926 57.271 55.300 0.075 0.000 1.109 247 M CB -2.257 30.453 32.600 0.185 0.000 1.342 247 M HN -0.058 nan 8.290 nan 0.000 0.405 248 P HA -0.143 nan 4.420 nan 0.000 0.217 248 P C 1.429 178.617 177.300 -0.187 0.000 1.148 248 P CA 1.375 64.385 63.100 -0.149 0.000 0.828 248 P CB -0.324 31.171 31.700 -0.342 0.000 0.783 249 F N -2.229 117.684 119.950 -0.062 0.000 2.146 249 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 249 F C 2.131 178.052 175.800 0.201 0.000 1.096 249 F CA 1.089 59.084 58.000 -0.009 0.000 1.275 249 F CB -1.313 37.622 39.000 -0.108 0.000 1.008 249 F HN -0.166 nan 8.300 nan 0.000 0.480 250 F N -0.410 119.795 119.950 0.426 0.000 2.171 250 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 250 F C 2.161 178.306 175.800 0.576 0.000 1.090 250 F CA 0.625 58.938 58.000 0.522 0.000 1.293 250 F CB -1.302 38.042 39.000 0.574 0.000 1.013 250 F HN -0.091 nan 8.300 nan 0.000 0.486 251 L N 0.036 121.599 121.223 0.568 0.000 2.027 251 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 251 L C 2.413 179.483 176.870 0.333 0.000 1.074 251 L CA 1.603 56.697 54.840 0.423 0.000 0.745 251 L CB -1.448 40.776 42.059 0.274 0.000 0.898 251 L HN 0.022 nan 8.230 nan 0.000 0.433 252 K N 0.006 120.542 120.400 0.227 0.000 2.057 252 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 252 K C 2.037 178.743 176.600 0.177 0.000 1.049 252 K CA 1.498 57.870 56.287 0.142 0.000 0.931 252 K CB -0.379 32.140 32.500 0.032 0.000 0.714 252 K HN 0.220 nan 8.250 nan 0.000 0.440 253 A N 0.455 123.437 122.820 0.270 0.000 1.898 253 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 253 A C 2.367 180.310 177.584 0.597 0.000 1.181 253 A CA 1.941 54.162 52.037 0.306 0.000 0.620 253 A CB -1.092 18.029 19.000 0.203 0.000 0.819 253 A HN 0.390 nan 8.150 nan 0.000 0.442 254 A N -0.528 122.757 122.820 0.774 0.000 1.892 254 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 254 A C 2.529 180.290 177.584 0.295 0.000 1.188 254 A CA 2.491 54.879 52.037 0.586 0.000 0.631 254 A CB -1.108 18.203 19.000 0.519 0.000 0.822 254 A HN 0.636 nan 8.150 nan 0.000 0.447 255 S N -0.574 115.268 115.700 0.236 0.000 2.356 255 S HA -0.091 4.378 4.470 -0.000 0.000 0.223 255 S C 1.955 176.718 174.600 0.272 0.000 1.032 255 S CA 1.436 59.770 58.200 0.222 0.000 1.005 255 S CB -0.515 62.888 63.200 0.338 0.000 0.867 255 S HN 0.475 nan 8.310 nan 0.000 0.449 256 L N 0.789 122.139 121.223 0.212 0.000 2.131 256 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 256 L C 2.771 179.832 176.870 0.318 0.000 1.092 256 L CA 1.183 56.126 54.840 0.171 0.000 0.759 256 L CB -0.919 41.077 42.059 -0.105 0.000 0.903 256 L HN 0.506 nan 8.230 nan 0.000 0.435 257 G N -0.166 108.882 108.800 0.413 0.000 2.403 257 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 257 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 257 G C 1.602 176.805 174.900 0.505 0.000 1.154 257 G CA 0.217 45.616 45.100 0.500 0.000 0.784 257 G HN 0.236 nan 8.290 nan 0.000 0.538 258 L N 0.070 121.457 121.223 0.273 0.000 2.201 258 L HA 0.078 4.418 4.340 -0.000 0.000 0.212 258 L C 2.745 179.682 176.870 0.111 0.000 1.105 258 L CA 0.168 54.996 54.840 -0.018 0.000 0.775 258 L CB -0.286 41.405 42.059 -0.612 0.000 0.913 258 L HN 0.178 nan 8.230 nan 0.000 0.440 259 L N -0.795 120.567 121.223 0.231 0.000 2.083 259 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 259 L C 2.717 179.604 176.870 0.028 0.000 1.083 259 L CA 1.050 55.992 54.840 0.170 0.000 0.752 259 L CB -0.443 41.706 42.059 0.150 0.000 0.899 259 L HN 0.335 nan 8.230 nan 0.000 0.433 260 Q N -0.641 119.147 119.800 -0.020 0.000 2.187 260 Q HA 0.023 4.363 4.340 -0.000 0.000 0.199 260 Q C 0.082 175.653 176.000 -0.715 0.000 0.957 260 Q CA 1.024 56.608 55.803 -0.364 0.000 0.857 260 Q CB 0.231 28.730 28.738 -0.399 0.000 0.929 260 Q HN 0.382 nan 8.270 nan 0.000 0.453 261 F N 1.070 121.070 119.950 0.083 0.000 2.550 261 F HA 0.283 4.810 4.527 -0.000 0.000 0.348 261 F C -1.604 174.191 175.800 -0.009 0.000 1.219 261 F CA -1.980 56.038 58.000 0.030 0.000 1.203 261 F CB 1.413 40.423 39.000 0.016 0.000 1.436 261 F HN -0.066 nan 8.300 nan 0.000 0.541 262 P HA -0.103 nan 4.420 nan 0.000 0.230 262 P C 1.818 179.256 177.300 0.229 0.000 1.158 262 P CA 0.989 64.188 63.100 0.165 0.000 0.769 262 P CB 0.570 32.371 31.700 0.169 0.000 0.807 263 I N -0.518 120.200 120.570 0.246 0.000 2.700 263 I HA -0.141 4.029 4.170 -0.000 0.000 0.261 263 I C 1.713 177.795 176.117 -0.058 0.000 1.219 263 I CA 0.834 62.199 61.300 0.107 0.000 1.463 263 I CB -0.055 38.031 38.000 0.144 0.000 1.092 263 I HN -0.140 nan 8.210 nan 0.000 0.452 264 L N -0.207 120.969 121.223 -0.077 0.000 2.558 264 L HA 0.042 4.382 4.340 -0.000 0.000 0.225 264 L C 0.519 177.341 176.870 -0.079 0.000 1.128 264 L CA 0.253 55.001 54.840 -0.154 0.000 0.868 264 L CB -0.406 41.420 42.059 -0.390 0.000 1.006 264 L HN 0.186 nan 8.230 nan 0.000 0.454 265 N N 1.002 119.654 118.700 -0.081 0.000 2.818 265 N HA 0.496 5.236 4.740 -0.000 0.000 0.301 265 N C -0.790 174.720 175.510 -0.001 0.000 1.821 265 N CA -0.040 52.990 53.050 -0.033 0.000 0.930 265 N CB 0.658 39.088 38.487 -0.096 0.000 1.263 265 N HN 0.165 nan 8.380 nan 0.000 0.487 266 A N -0.217 122.574 122.820 -0.048 0.000 2.602 266 A HA 0.840 5.159 4.320 -0.000 0.000 0.290 266 A C -0.950 176.570 177.584 -0.108 0.000 1.114 266 A CA -0.589 51.370 52.037 -0.130 0.000 0.683 266 A CB 1.326 20.118 19.000 -0.346 0.000 1.281 266 A HN 0.221 nan 8.150 nan 0.000 0.416 267 S N -1.311 114.317 115.700 -0.120 0.000 2.632 267 S HA 0.787 5.257 4.470 -0.000 0.000 0.289 267 S C -1.083 173.456 174.600 -0.103 0.000 1.115 267 S CA -0.500 57.648 58.200 -0.086 0.000 0.889 267 S CB 1.863 65.037 63.200 -0.044 0.000 1.116 267 S HN 0.943 nan 8.310 nan 0.000 0.486 268 V N 1.981 121.850 119.914 -0.075 0.000 2.960 268 V HA 0.482 4.602 4.120 -0.000 0.000 0.315 268 V C -0.958 175.112 176.094 -0.040 0.000 1.087 268 V CA -0.758 61.502 62.300 -0.066 0.000 0.982 268 V CB 2.232 34.014 31.823 -0.068 0.000 1.039 268 V HN 1.054 nan 8.190 nan 0.000 0.437 269 D N 1.719 122.101 120.400 -0.030 0.000 2.529 269 D HA 0.195 4.835 4.640 -0.000 0.000 0.273 269 D C 0.898 177.189 176.300 -0.015 0.000 1.197 269 D CA -0.442 53.548 54.000 -0.018 0.000 1.070 269 D CB 0.649 41.442 40.800 -0.012 0.000 1.134 269 D HN 0.428 nan 8.370 nan 0.000 0.590 270 E N -0.088 120.107 120.200 -0.009 0.000 2.070 270 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 270 E C 0.649 177.245 176.600 -0.007 0.000 1.004 270 E CA 1.861 58.256 56.400 -0.007 0.000 0.805 270 E CB -0.426 29.272 29.700 -0.004 0.000 0.744 270 E HN 0.587 nan 8.360 nan 0.000 0.451 271 N N -1.334 117.361 118.700 -0.007 0.000 2.251 271 N HA 0.101 4.841 4.740 -0.000 0.000 0.217 271 N C -0.698 174.806 175.510 -0.010 0.000 1.124 271 N CA 0.408 53.454 53.050 -0.007 0.000 0.843 271 N CB 0.297 38.781 38.487 -0.005 0.000 1.024 271 N HN 0.186 nan 8.380 nan 0.000 0.501 272 C N 1.178 120.470 119.300 -0.014 0.000 4.354 272 C HA -0.168 4.291 4.460 -0.000 0.000 0.307 272 C C 1.168 176.149 174.990 -0.015 0.000 1.318 272 C CA 0.487 59.494 59.018 -0.018 0.000 2.060 272 C CB -2.098 25.630 27.740 -0.019 0.000 1.283 272 C HN 0.556 nan 8.230 nan 0.000 0.723 273 Q N -0.374 119.420 119.800 -0.011 0.000 2.280 273 Q HA 0.219 4.559 4.340 -0.000 0.000 0.244 273 Q C 0.286 176.286 176.000 -0.001 0.000 0.847 273 Q CA 0.521 56.322 55.803 -0.005 0.000 0.945 273 Q CB 0.391 29.128 28.738 -0.002 0.000 1.115 273 Q HN 0.904 nan 8.270 nan 0.000 0.513 274 N N 0.213 118.910 118.700 -0.006 0.000 2.235 274 N HA 0.473 5.212 4.740 -0.000 0.000 0.293 274 N C -1.427 174.069 175.510 -0.023 0.000 1.083 274 N CA -0.466 52.584 53.050 -0.000 0.000 0.801 274 N CB 2.394 40.886 38.487 0.008 0.000 1.559 274 N HN -0.071 nan 8.380 nan 0.000 0.472 275 I N 0.944 121.496 120.570 -0.029 0.000 2.412 275 I HA 0.359 4.528 4.170 -0.000 0.000 0.296 275 I C -0.317 175.745 176.117 -0.093 0.000 0.987 275 I CA -0.580 60.645 61.300 -0.125 0.000 1.180 275 I CB 1.851 39.688 38.000 -0.271 0.000 1.340 275 I HN 0.401 nan 8.210 nan 0.000 0.455 276 T N 5.257 119.739 114.554 -0.120 0.000 2.770 276 T HA 0.394 4.744 4.350 -0.000 0.000 0.297 276 T C -0.607 174.032 174.700 -0.102 0.000 0.997 276 T CA -0.361 61.718 62.100 -0.035 0.000 0.949 276 T CB 0.049 68.915 68.868 -0.002 0.000 0.941 276 T HN 0.131 nan 8.240 nan 0.000 0.457 277 Y N 2.847 123.154 120.300 0.012 0.000 2.402 277 Y HA 0.306 4.856 4.550 -0.000 0.000 0.333 277 Y C 1.112 177.028 175.900 0.027 0.000 1.076 277 Y CA -0.442 57.669 58.100 0.017 0.000 1.299 277 Y CB 0.495 38.964 38.460 0.014 0.000 1.197 277 Y HN 0.311 nan 8.280 nan 0.000 0.517 278 K N 1.912 122.400 120.400 0.145 0.000 2.164 278 K HA 0.613 4.933 4.320 -0.000 0.000 0.258 278 K C 0.348 177.032 176.600 0.139 0.000 0.951 278 K CA -0.451 55.906 56.287 0.116 0.000 0.844 278 K CB 1.861 34.412 32.500 0.086 0.000 1.099 278 K HN 0.751 nan 8.250 nan 0.000 0.435 279 A N 1.959 124.839 122.820 0.100 0.000 1.975 279 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 279 A C 0.731 178.342 177.584 0.046 0.000 1.170 279 A CA 0.721 52.798 52.037 0.068 0.000 0.656 279 A CB 0.175 19.192 19.000 0.029 0.000 0.821 279 A HN 0.564 nan 8.150 nan 0.000 0.449 280 S N 0.429 116.171 115.700 0.069 0.000 2.545 280 S HA 0.282 4.752 4.470 -0.000 0.000 0.275 280 S C -0.481 174.232 174.600 0.188 0.000 1.299 280 S CA -0.300 57.935 58.200 0.058 0.000 1.048 280 S CB 0.033 63.267 63.200 0.057 0.000 0.938 280 S HN 0.563 nan 8.310 nan 0.000 0.496 281 H N 3.053 122.144 119.070 0.035 0.000 2.821 281 H HA 0.213 4.769 4.556 -0.000 0.000 0.262 281 H C -0.468 174.900 175.328 0.067 0.000 1.402 281 H CA -0.726 55.347 56.048 0.041 0.000 1.293 281 H CB 0.056 29.832 29.762 0.024 0.000 1.533 281 H HN 0.349 nan 8.280 nan 0.000 0.528 282 N N 4.239 123.054 118.700 0.192 0.000 2.558 282 N HA 0.196 4.936 4.740 -0.000 0.000 0.233 282 N C -0.448 175.163 175.510 0.169 0.000 1.038 282 N CA -0.168 52.969 53.050 0.146 0.000 0.934 282 N CB 1.099 39.651 38.487 0.108 0.000 1.175 282 N HN 0.513 nan 8.380 nan 0.000 0.512 283 I N 0.847 121.528 120.570 0.185 0.000 2.312 283 I HA 0.296 4.465 4.170 -0.000 0.000 0.290 283 I C 1.227 177.459 176.117 0.192 0.000 1.008 283 I CA -0.874 60.574 61.300 0.246 0.000 1.226 283 I CB 1.284 39.466 38.000 0.303 0.000 1.371 283 I HN 0.282 nan 8.210 nan 0.000 0.468 284 G N 7.232 116.130 108.800 0.163 0.000 2.483 284 G HA2 0.416 4.376 3.960 -0.000 0.000 0.248 284 G HA3 0.416 4.376 3.960 -0.000 0.000 0.248 284 G C -0.234 174.736 174.900 0.116 0.000 1.248 284 G CA -0.350 44.817 45.100 0.112 0.000 0.838 284 G HN 0.432 nan 8.290 nan 0.000 0.566 285 I N 1.748 122.377 120.570 0.099 0.000 2.405 285 I HA 0.304 4.474 4.170 -0.000 0.000 0.280 285 I C 0.778 176.942 176.117 0.078 0.000 1.027 285 I CA -1.386 59.975 61.300 0.101 0.000 1.161 285 I CB 0.536 38.595 38.000 0.098 0.000 1.300 285 I HN 0.538 nan 8.210 nan 0.000 0.463 286 A N 8.716 131.575 122.820 0.066 0.000 2.522 286 A HA 0.464 4.784 4.320 -0.000 0.000 0.256 286 A C 0.320 177.943 177.584 0.064 0.000 1.086 286 A CA 0.021 52.090 52.037 0.054 0.000 0.763 286 A CB -0.018 19.003 19.000 0.035 0.000 1.024 286 A HN 0.796 nan 8.150 nan 0.000 0.502 287 M N 1.877 121.518 119.600 0.068 0.000 2.395 287 M HA 0.625 5.105 4.480 -0.000 0.000 0.307 287 M C -1.007 175.336 176.300 0.071 0.000 1.091 287 M CA -0.770 54.570 55.300 0.067 0.000 0.919 287 M CB 1.902 34.539 32.600 0.062 0.000 1.662 287 M HN 0.461 nan 8.290 nan 0.000 0.440 288 D N 2.637 123.075 120.400 0.063 0.000 2.264 288 D HA 0.563 5.203 4.640 -0.000 0.000 0.250 288 D C -0.564 175.772 176.300 0.059 0.000 1.113 288 D CA 0.339 54.378 54.000 0.065 0.000 0.871 288 D CB 1.309 42.142 40.800 0.054 0.000 1.167 288 D HN 0.848 nan 8.370 nan 0.000 0.447 289 T N 0.053 114.649 114.554 0.069 0.000 2.773 289 T HA 0.366 4.716 4.350 -0.000 0.000 0.278 289 T C 0.830 175.563 174.700 0.056 0.000 1.011 289 T CA -0.793 61.336 62.100 0.048 0.000 1.014 289 T CB 1.040 69.920 68.868 0.020 0.000 1.293 289 T HN 0.372 nan 8.240 nan 0.000 0.554 290 E N 0.052 120.274 120.200 0.037 0.000 2.482 290 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 290 E C 1.041 177.683 176.600 0.068 0.000 1.047 290 E CA 0.375 56.802 56.400 0.045 0.000 0.869 290 E CB 0.087 29.802 29.700 0.026 0.000 0.836 290 E HN 0.449 nan 8.360 nan 0.000 0.520 291 Q N 0.206 120.043 119.800 0.062 0.000 2.188 291 Q HA 0.179 4.518 4.340 -0.000 0.000 0.212 291 Q C 0.722 176.881 176.000 0.265 0.000 0.846 291 Q CA 0.308 56.172 55.803 0.102 0.000 0.989 291 Q CB 1.379 30.060 28.738 -0.095 0.000 1.114 291 Q HN 0.273 nan 8.270 nan 0.000 0.488 292 G N 1.580 110.520 108.800 0.233 0.000 2.542 292 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.235 292 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.235 292 G C -0.784 174.265 174.900 0.249 0.000 1.286 292 G CA -0.393 44.862 45.100 0.257 0.000 0.904 292 G HN 0.291 nan 8.290 nan 0.000 0.577 293 L N 0.688 122.047 121.223 0.228 0.000 2.290 293 L HA 0.844 5.184 4.340 -0.000 0.000 0.284 293 L C 0.191 177.203 176.870 0.236 0.000 1.078 293 L CA -0.276 54.663 54.840 0.164 0.000 0.815 293 L CB 0.861 42.967 42.059 0.077 0.000 1.162 293 L HN 0.803 nan 8.230 nan 0.000 0.435 294 I N 4.444 125.132 120.570 0.196 0.000 2.769 294 I HA 0.465 4.635 4.170 -0.000 0.000 0.298 294 I C -1.236 174.952 176.117 0.119 0.000 1.128 294 I CA -0.751 60.677 61.300 0.212 0.000 1.031 294 I CB 2.319 40.456 38.000 0.227 0.000 1.235 294 I HN 0.299 nan 8.210 nan 0.000 0.423 295 V N 7.769 127.746 119.914 0.104 0.000 2.266 295 V HA 0.362 4.482 4.120 -0.000 0.000 0.266 295 V C -2.193 173.942 176.094 0.069 0.000 1.036 295 V CA -1.141 61.204 62.300 0.074 0.000 0.828 295 V CB 0.362 32.218 31.823 0.055 0.000 1.081 295 V HN 0.567 nan 8.190 nan 0.000 0.449 296 P HA 0.370 nan 4.420 nan 0.000 0.276 296 P C -0.984 176.354 177.300 0.064 0.000 1.261 296 P CA -0.307 62.827 63.100 0.057 0.000 0.800 296 P CB 1.353 33.080 31.700 0.045 0.000 1.066 297 N N -1.561 117.177 118.700 0.063 0.000 2.262 297 N HA 0.406 5.146 4.740 -0.000 0.000 0.295 297 N C -1.289 174.261 175.510 0.067 0.000 1.161 297 N CA -1.036 52.061 53.050 0.078 0.000 0.767 297 N CB 1.125 39.664 38.487 0.087 0.000 1.499 297 N HN -0.024 nan 8.380 nan 0.000 0.476 298 V N 1.322 121.284 119.914 0.079 0.000 2.408 298 V HA 0.238 4.358 4.120 -0.000 0.000 0.267 298 V C 0.171 176.309 176.094 0.072 0.000 1.047 298 V CA -0.718 61.620 62.300 0.063 0.000 0.937 298 V CB 0.374 32.235 31.823 0.064 0.000 0.999 298 V HN 0.572 nan 8.190 nan 0.000 0.472 299 K N 4.557 124.987 120.400 0.050 0.000 2.379 299 K HA 0.150 4.470 4.320 -0.000 0.000 0.284 299 K C 0.449 177.076 176.600 0.046 0.000 1.044 299 K CA 0.067 56.384 56.287 0.049 0.000 0.974 299 K CB 0.048 32.567 32.500 0.031 0.000 0.962 299 K HN 0.729 nan 8.250 nan 0.000 0.474 300 N N 1.425 120.159 118.700 0.057 0.000 2.727 300 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 300 N C 0.788 176.318 175.510 0.034 0.000 1.040 300 N CA 0.469 53.537 53.050 0.030 0.000 0.712 300 N CB -1.533 36.956 38.487 0.003 0.000 0.912 300 N HN 0.316 nan 8.380 nan 0.000 0.545 301 V N 0.486 120.453 119.914 0.089 0.000 2.453 301 V HA -0.307 3.813 4.120 -0.000 0.000 0.252 301 V C 2.565 178.696 176.094 0.062 0.000 1.068 301 V CA 2.410 64.767 62.300 0.096 0.000 1.070 301 V CB -0.199 31.722 31.823 0.164 0.000 0.664 301 V HN 0.625 nan 8.190 nan 0.000 0.461 302 Q N 1.487 121.288 119.800 0.001 0.000 2.437 302 Q HA -0.137 4.203 4.340 -0.000 0.000 0.210 302 Q C 1.543 177.508 176.000 -0.059 0.000 0.972 302 Q CA 1.928 57.683 55.803 -0.080 0.000 0.903 302 Q CB -0.594 27.906 28.738 -0.398 0.000 0.967 302 Q HN 0.833 nan 8.270 nan 0.000 0.486 303 I N -2.578 117.968 120.570 -0.040 0.000 3.877 303 I HA 0.438 4.608 4.170 -0.000 0.000 0.332 303 I C -0.003 176.108 176.117 -0.009 0.000 1.525 303 I CA -0.718 60.567 61.300 -0.026 0.000 1.146 303 I CB 0.391 38.374 38.000 -0.028 0.000 1.137 303 I HN -0.167 nan 8.210 nan 0.000 0.424 304 R N 1.266 121.765 120.500 -0.002 0.000 2.807 304 R HA 0.574 4.914 4.340 -0.000 0.000 0.276 304 R C -0.222 176.077 176.300 -0.000 0.000 0.979 304 R CA -0.599 55.500 56.100 -0.001 0.000 0.928 304 R CB 2.331 32.626 30.300 -0.009 0.000 1.191 304 R HN 0.389 nan 8.270 nan 0.000 0.471 305 S N 0.525 116.231 115.700 0.010 0.000 2.632 305 S HA 0.215 4.685 4.470 -0.000 0.000 0.271 305 S C 1.558 176.143 174.600 -0.025 0.000 1.260 305 S CA -0.696 57.513 58.200 0.015 0.000 1.010 305 S CB 0.747 63.992 63.200 0.076 0.000 0.965 305 S HN 0.609 nan 8.310 nan 0.000 0.534 306 I N 0.553 121.080 120.570 -0.072 0.000 2.143 306 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 306 I C 2.206 178.248 176.117 -0.124 0.000 1.068 306 I CA 2.169 63.354 61.300 -0.192 0.000 1.326 306 I CB -0.473 37.302 38.000 -0.375 0.000 1.028 306 I HN 0.820 nan 8.210 nan 0.000 0.412 307 F N 1.687 121.545 119.950 -0.153 0.000 2.102 307 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 307 F C 2.392 178.140 175.800 -0.086 0.000 1.105 307 F CA 1.841 59.772 58.000 -0.115 0.000 1.239 307 F CB -0.483 38.469 39.000 -0.079 0.000 0.991 307 F HN 0.039 nan 8.300 nan 0.000 0.474 308 E N 0.606 120.634 120.200 -0.287 0.000 2.130 308 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 308 E C 2.269 178.704 176.600 -0.275 0.000 0.998 308 E CA 1.938 58.136 56.400 -0.336 0.000 0.806 308 E CB -0.312 29.329 29.700 -0.098 0.000 0.738 308 E HN 0.556 nan 8.360 nan 0.000 0.459 309 I N 0.512 120.967 120.570 -0.192 0.000 2.286 309 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 309 I C 2.502 178.520 176.117 -0.164 0.000 1.104 309 I CA 0.674 61.894 61.300 -0.134 0.000 1.397 309 I CB -0.261 37.686 38.000 -0.088 0.000 1.072 309 I HN 0.082 nan 8.210 nan 0.000 0.417 310 A N 0.780 123.466 122.820 -0.223 0.000 1.883 310 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 310 A C 2.393 179.841 177.584 -0.226 0.000 1.186 310 A CA 2.570 54.487 52.037 -0.199 0.000 0.624 310 A CB -1.193 17.695 19.000 -0.187 0.000 0.822 310 A HN 0.380 nan 8.150 nan 0.000 0.444 311 T N -0.359 113.966 114.554 -0.382 0.000 2.635 311 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 311 T C 1.921 176.502 174.700 -0.199 0.000 1.040 311 T CA 1.871 63.759 62.100 -0.352 0.000 1.156 311 T CB -0.294 68.243 68.868 -0.553 0.000 0.863 311 T HN 0.582 nan 8.240 nan 0.000 0.430 312 E N 0.843 120.941 120.200 -0.170 0.000 2.106 312 E HA 0.000 4.350 4.350 -0.000 0.000 0.192 312 E C 2.087 178.651 176.600 -0.061 0.000 0.984 312 E CA 0.639 56.981 56.400 -0.096 0.000 0.806 312 E CB -0.642 29.014 29.700 -0.074 0.000 0.750 312 E HN 0.355 nan 8.360 nan 0.000 0.458 313 L N 0.675 121.863 121.223 -0.059 0.000 1.971 313 L HA -0.295 4.045 4.340 -0.000 0.000 0.215 313 L C 2.080 178.932 176.870 -0.029 0.000 1.072 313 L CA 2.157 56.982 54.840 -0.026 0.000 0.758 313 L CB -0.729 41.318 42.059 -0.021 0.000 0.889 313 L HN 0.353 nan 8.230 nan 0.000 0.433 314 N N -0.777 117.891 118.700 -0.053 0.000 2.061 314 N HA -0.281 4.459 4.740 -0.000 0.000 0.193 314 N C 1.934 177.419 175.510 -0.041 0.000 1.030 314 N CA 1.291 54.312 53.050 -0.048 0.000 0.856 314 N CB -0.139 38.306 38.487 -0.070 0.000 1.023 314 N HN 0.284 nan 8.380 nan 0.000 0.424 315 R N 1.124 121.594 120.500 -0.050 0.000 2.081 315 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 315 R C 2.236 178.521 176.300 -0.025 0.000 1.131 315 R CA 0.985 57.060 56.100 -0.040 0.000 0.960 315 R CB -0.166 30.106 30.300 -0.045 0.000 0.856 315 R HN 0.230 nan 8.270 nan 0.000 0.436 316 L N 0.225 121.437 121.223 -0.018 0.000 2.093 316 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 316 L C 2.480 179.350 176.870 0.000 0.000 1.085 316 L CA 1.351 56.188 54.840 -0.004 0.000 0.755 316 L CB -0.344 41.720 42.059 0.008 0.000 0.904 316 L HN 0.303 nan 8.230 nan 0.000 0.435 317 Q N -0.115 119.685 119.800 0.000 0.000 2.079 317 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 317 Q C 2.202 178.200 176.000 -0.003 0.000 0.974 317 Q CA 1.323 57.129 55.803 0.005 0.000 0.840 317 Q CB -0.000 28.743 28.738 0.009 0.000 0.898 317 Q HN 0.338 nan 8.270 nan 0.000 0.430 318 K N 0.607 121.000 120.400 -0.011 0.000 2.026 318 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 318 K C 1.938 178.528 176.600 -0.017 0.000 1.048 318 K CA 1.026 57.304 56.287 -0.015 0.000 0.929 318 K CB -0.022 32.466 32.500 -0.020 0.000 0.713 318 K HN 0.107 nan 8.250 nan 0.000 0.439 319 L N -0.676 120.536 121.223 -0.018 0.000 2.093 319 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 319 L C 2.420 179.273 176.870 -0.028 0.000 1.085 319 L CA 1.347 56.173 54.840 -0.023 0.000 0.755 319 L CB -0.631 41.416 42.059 -0.020 0.000 0.904 319 L HN 0.382 nan 8.230 nan 0.000 0.435 320 G N -0.447 108.341 108.800 -0.020 0.000 2.394 320 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 320 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 320 G C 1.692 176.574 174.900 -0.030 0.000 1.176 320 G CA 0.848 45.934 45.100 -0.022 0.000 0.786 320 G HN 0.472 nan 8.290 nan 0.000 0.533 321 S N 0.265 115.955 115.700 -0.018 0.000 2.607 321 S HA 0.456 4.926 4.470 -0.000 0.000 0.224 321 S C 1.913 176.497 174.600 -0.027 0.000 0.969 321 S CA 0.955 59.145 58.200 -0.017 0.000 0.927 321 S CB 0.203 63.401 63.200 -0.003 0.000 0.772 321 S HN 0.505 nan 8.310 nan 0.000 0.533 322 A N 0.479 123.278 122.820 -0.034 0.000 2.348 322 A HA 0.644 4.964 4.320 -0.000 0.000 0.224 322 A C 1.609 179.159 177.584 -0.057 0.000 1.227 322 A CA 0.230 52.245 52.037 -0.038 0.000 0.885 322 A CB -0.807 18.175 19.000 -0.030 0.000 0.933 322 A HN 1.439 nan 8.150 nan 0.000 0.506 323 G N -0.500 108.252 108.800 -0.079 0.000 2.198 323 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 323 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 323 G C 0.285 175.129 174.900 -0.094 0.000 1.025 323 G CA 0.709 45.739 45.100 -0.116 0.000 0.769 323 G HN 0.575 nan 8.290 nan 0.000 0.507 324 Q N -0.987 118.773 119.800 -0.067 0.000 2.157 324 Q HA 0.429 4.769 4.340 -0.000 0.000 0.229 324 Q C 0.958 176.934 176.000 -0.040 0.000 0.827 324 Q CA -0.368 55.406 55.803 -0.050 0.000 1.055 324 Q CB 0.556 29.272 28.738 -0.037 0.000 1.157 324 Q HN 0.602 nan 8.270 nan 0.000 0.482 325 L N 1.431 122.628 121.223 -0.044 0.000 2.453 325 L HA 0.111 4.451 4.340 -0.000 0.000 0.272 325 L C 0.794 177.652 176.870 -0.019 0.000 1.182 325 L CA -0.162 54.663 54.840 -0.025 0.000 0.858 325 L CB 0.753 42.800 42.059 -0.019 0.000 1.120 325 L HN 0.170 nan 8.230 nan 0.000 0.474 326 S N 1.496 117.191 115.700 -0.009 0.000 2.624 326 S HA 0.120 4.590 4.470 -0.000 0.000 0.263 326 S C 1.184 175.787 174.600 0.005 0.000 1.287 326 S CA -0.219 57.978 58.200 -0.004 0.000 0.990 326 S CB 1.406 64.604 63.200 -0.003 0.000 0.950 326 S HN 0.678 nan 8.310 nan 0.000 0.561 327 T N 2.150 116.708 114.554 0.008 0.000 2.635 327 T HA -0.175 4.174 4.350 -0.000 0.000 0.267 327 T C 1.849 176.561 174.700 0.019 0.000 1.040 327 T CA 1.847 63.956 62.100 0.016 0.000 1.156 327 T CB -0.874 68.003 68.868 0.014 0.000 0.863 327 T HN 0.760 nan 8.240 nan 0.000 0.430 328 N N 0.744 119.453 118.700 0.015 0.000 2.149 328 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 328 N C 1.210 176.732 175.510 0.021 0.000 1.019 328 N CA 1.301 54.361 53.050 0.017 0.000 0.857 328 N CB -0.146 38.348 38.487 0.013 0.000 0.997 328 N HN 0.378 nan 8.380 nan 0.000 0.426 329 D N 0.387 120.798 120.400 0.018 0.000 2.264 329 D HA -0.092 4.547 4.640 -0.000 0.000 0.208 329 D C 1.579 177.899 176.300 0.033 0.000 0.966 329 D CA 0.383 54.397 54.000 0.023 0.000 0.864 329 D CB 0.120 40.930 40.800 0.016 0.000 0.933 329 D HN 0.253 nan 8.370 nan 0.000 0.499 330 L N 0.442 121.686 121.223 0.035 0.000 2.446 330 L HA 0.159 4.498 4.340 -0.000 0.000 0.219 330 L C 0.796 177.693 176.870 0.045 0.000 1.116 330 L CA 0.403 55.270 54.840 0.045 0.000 0.844 330 L CB -0.355 41.735 42.059 0.051 0.000 0.970 330 L HN 0.011 nan 8.230 nan 0.000 0.457 331 I N -4.362 116.231 120.570 0.039 0.000 2.982 331 I HA 0.764 4.934 4.170 -0.000 0.000 0.312 331 I C 1.217 177.358 176.117 0.040 0.000 1.041 331 I CA -0.465 60.857 61.300 0.037 0.000 1.053 331 I CB 0.966 38.984 38.000 0.031 0.000 1.248 331 I HN 0.060 nan 8.210 nan 0.000 0.471 332 G N 1.516 110.339 108.800 0.040 0.000 2.160 332 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.251 332 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.251 332 G C 0.512 175.447 174.900 0.058 0.000 1.008 332 G CA -0.051 45.076 45.100 0.045 0.000 0.724 332 G HN 1.370 nan 8.290 nan 0.000 0.514 333 G N -0.614 108.222 108.800 0.060 0.000 2.432 333 G HA2 0.511 4.471 3.960 -0.000 0.000 0.239 333 G HA3 0.511 4.471 3.960 -0.000 0.000 0.239 333 G C 1.078 176.030 174.900 0.086 0.000 1.291 333 G CA 1.020 46.166 45.100 0.078 0.000 0.863 333 G HN 1.274 nan 8.290 nan 0.000 0.560 334 T N -1.120 113.510 114.554 0.126 0.000 2.971 334 T HA 0.401 4.751 4.350 -0.000 0.000 0.252 334 T C 0.046 174.871 174.700 0.208 0.000 1.022 334 T CA -0.044 62.136 62.100 0.133 0.000 0.980 334 T CB 0.124 69.070 68.868 0.130 0.000 1.044 334 T HN 0.618 nan 8.240 nan 0.000 0.501 335 F N 0.830 120.783 119.950 0.005 0.000 2.746 335 F HA 0.492 5.019 4.527 -0.000 0.000 0.311 335 F C -1.972 173.851 175.800 0.038 0.000 1.135 335 F CA -0.481 57.516 58.000 -0.006 0.000 0.954 335 F CB 1.320 40.292 39.000 -0.046 0.000 1.276 335 F HN -0.031 nan 8.300 nan 0.000 0.440 336 T N 5.184 119.485 114.554 -0.420 0.000 2.900 336 T HA 0.684 5.034 4.350 -0.000 0.000 0.295 336 T C -1.221 173.358 174.700 -0.201 0.000 1.044 336 T CA -0.695 61.300 62.100 -0.174 0.000 0.995 336 T CB 1.974 70.759 68.868 -0.139 0.000 1.072 336 T HN 0.546 nan 8.240 nan 0.000 0.473 337 L N 1.769 123.017 121.223 0.041 0.000 2.346 337 L HA 0.710 5.050 4.340 -0.000 0.000 0.276 337 L C -0.070 176.828 176.870 0.046 0.000 1.006 337 L CA -0.864 54.018 54.840 0.070 0.000 0.817 337 L CB 2.092 44.292 42.059 0.235 0.000 1.272 337 L HN 0.630 nan 8.230 nan 0.000 0.421 338 S N 1.875 117.572 115.700 -0.006 0.000 2.667 338 S HA 0.224 4.694 4.470 -0.000 0.000 0.304 338 S C -0.199 174.408 174.600 0.012 0.000 1.135 338 S CA -0.689 57.514 58.200 0.004 0.000 1.125 338 S CB 0.369 63.551 63.200 -0.030 0.000 0.996 338 S HN 0.604 nan 8.310 nan 0.000 0.474 339 N N 4.864 123.608 118.700 0.074 0.000 3.254 339 N HA 0.088 4.828 4.740 -0.000 0.000 0.308 339 N C 0.938 176.484 175.510 0.060 0.000 1.281 339 N CA -0.333 52.776 53.050 0.098 0.000 1.212 339 N CB -0.419 38.186 38.487 0.197 0.000 1.478 339 N HN 0.702 nan 8.380 nan 0.000 0.548 340 I N 0.488 121.068 120.570 0.016 0.000 2.335 340 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 340 I C 1.961 178.080 176.117 0.004 0.000 1.129 340 I CA 1.077 62.379 61.300 0.005 0.000 1.402 340 I CB -0.636 37.352 38.000 -0.019 0.000 1.069 340 I HN 0.441 nan 8.210 nan 0.000 0.424 341 G N -0.641 108.159 108.800 -0.001 0.000 2.527 341 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 341 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 341 G C 1.639 176.552 174.900 0.022 0.000 1.117 341 G CA 0.992 46.087 45.100 -0.008 0.000 0.759 341 G HN 0.589 nan 8.290 nan 0.000 0.556 342 S N -0.408 115.324 115.700 0.052 0.000 2.522 342 S HA 0.155 4.625 4.470 -0.000 0.000 0.227 342 S C 1.995 176.620 174.600 0.041 0.000 0.986 342 S CA 0.559 58.797 58.200 0.064 0.000 0.929 342 S CB -0.108 63.145 63.200 0.088 0.000 0.769 342 S HN 0.401 nan 8.310 nan 0.000 0.529 343 I N 0.387 120.972 120.570 0.026 0.000 3.194 343 I HA 0.443 4.613 4.170 -0.000 0.000 0.271 343 I C 1.326 177.444 176.117 0.002 0.000 1.150 343 I CA 0.380 61.689 61.300 0.016 0.000 1.440 343 I CB 0.341 38.351 38.000 0.016 0.000 1.276 343 I HN 0.502 nan 8.210 nan 0.000 0.457 344 G N -0.214 108.581 108.800 -0.009 0.000 2.328 344 G HA2 0.487 4.447 3.960 -0.000 0.000 0.295 344 G HA3 0.487 4.447 3.960 -0.000 0.000 0.295 344 G C -0.925 173.950 174.900 -0.041 0.000 1.413 344 G CA -0.051 45.034 45.100 -0.024 0.000 0.817 344 G HN 0.530 nan 8.290 nan 0.000 0.546 345 G N -2.084 106.681 108.800 -0.057 0.000 2.484 345 G HA2 0.541 4.501 3.960 -0.000 0.000 0.685 345 G HA3 0.541 4.501 3.960 -0.000 0.000 0.685 345 G C 0.304 175.128 174.900 -0.127 0.000 1.294 345 G CA 0.657 45.711 45.100 -0.076 0.000 0.879 345 G HN 2.141 nan 8.290 nan 0.000 0.646 346 T N -1.840 112.619 114.554 -0.158 0.000 3.422 346 T HA 0.534 4.884 4.350 -0.000 0.000 0.192 346 T C 0.918 175.400 174.700 -0.362 0.000 0.857 346 T CA 0.661 62.573 62.100 -0.312 0.000 1.400 346 T CB 0.128 68.785 68.868 -0.352 0.000 1.864 346 T HN 0.744 nan 8.240 nan 0.000 0.415 347 Y N 1.908 122.154 120.300 -0.090 0.000 2.334 347 Y HA 0.758 5.308 4.550 -0.000 0.000 0.325 347 Y C 0.727 176.565 175.900 -0.103 0.000 1.308 347 Y CA -0.470 57.565 58.100 -0.109 0.000 1.389 347 Y CB 0.859 39.255 38.460 -0.107 0.000 1.328 347 Y HN 0.870 nan 8.280 nan 0.000 0.532 348 A N 0.945 123.818 122.820 0.090 0.000 2.568 348 A HA 0.705 5.025 4.320 -0.000 0.000 0.291 348 A C -1.479 176.088 177.584 -0.027 0.000 1.159 348 A CA -0.905 51.133 52.037 0.002 0.000 0.679 348 A CB 2.010 20.988 19.000 -0.036 0.000 1.285 348 A HN 0.478 nan 8.150 nan 0.000 0.428 349 K N 1.695 122.069 120.400 -0.043 0.000 2.701 349 K HA 0.372 4.692 4.320 -0.000 0.000 0.212 349 K C -2.835 173.734 176.600 -0.052 0.000 1.035 349 K CA -1.322 54.933 56.287 -0.054 0.000 1.048 349 K CB 1.014 33.474 32.500 -0.067 0.000 1.234 349 K HN 0.639 nan 8.250 nan 0.000 0.540 350 P HA 0.237 nan 4.420 nan 0.000 0.279 350 P C -0.468 176.839 177.300 0.013 0.000 1.252 350 P CA -0.605 62.478 63.100 -0.029 0.000 0.811 350 P CB 1.342 33.017 31.700 -0.043 0.000 1.035 351 V N 3.333 123.253 119.914 0.009 0.000 2.350 351 V HA 0.197 4.317 4.120 -0.000 0.000 0.276 351 V C 0.853 177.036 176.094 0.148 0.000 1.028 351 V CA -0.725 61.615 62.300 0.067 0.000 0.860 351 V CB 0.646 32.451 31.823 -0.030 0.000 0.990 351 V HN 0.420 nan 8.190 nan 0.000 0.453 352 I N 5.667 126.417 120.570 0.300 0.000 2.775 352 I HA -0.013 4.156 4.170 -0.000 0.000 0.290 352 I C 0.088 176.237 176.117 0.053 0.000 1.203 352 I CA 0.421 61.762 61.300 0.068 0.000 1.433 352 I CB 0.271 38.213 38.000 -0.097 0.000 1.354 352 I HN 0.383 nan 8.210 nan 0.000 0.579 353 L N 8.636 129.856 121.223 -0.004 0.000 2.259 353 L HA 0.342 4.681 4.340 -0.000 0.000 0.288 353 L C -2.155 174.710 176.870 -0.008 0.000 1.051 353 L CA -1.871 52.968 54.840 -0.002 0.000 0.824 353 L CB 0.371 42.424 42.059 -0.009 0.000 1.206 353 L HN 0.300 nan 8.230 nan 0.000 0.429 354 P HA 0.041 nan 4.420 nan 0.000 0.267 354 P C -2.072 175.226 177.300 -0.003 0.000 1.200 354 P CA -0.736 62.360 63.100 -0.007 0.000 0.772 354 P CB 0.078 31.778 31.700 -0.000 0.000 0.855 355 P HA 0.178 nan 4.420 nan 0.000 0.259 355 P C -0.222 177.065 177.300 -0.021 0.000 1.530 355 P CA 0.004 63.096 63.100 -0.013 0.000 1.022 355 P CB 0.312 32.007 31.700 -0.009 0.000 1.514 356 E N 0.087 120.276 120.200 -0.019 0.000 2.428 356 E HA 0.099 4.449 4.350 -0.000 0.000 0.257 356 E C 1.040 177.605 176.600 -0.058 0.000 1.197 356 E CA -0.111 56.273 56.400 -0.026 0.000 0.974 356 E CB 0.856 30.541 29.700 -0.025 0.000 0.976 356 E HN -0.034 nan 8.360 nan 0.000 0.463 357 V N -2.689 117.187 119.914 -0.063 0.000 3.477 357 V HA 0.626 4.745 4.120 -0.000 0.000 0.297 357 V C 0.096 176.123 176.094 -0.112 0.000 1.433 357 V CA 0.254 62.498 62.300 -0.094 0.000 1.052 357 V CB 0.055 31.822 31.823 -0.094 0.000 0.895 357 V HN 0.558 nan 8.190 nan 0.000 0.438 358 A N 0.162 122.906 122.820 -0.127 0.000 2.612 358 A HA 0.906 5.226 4.320 -0.000 0.000 0.293 358 A C -1.512 175.840 177.584 -0.386 0.000 1.075 358 A CA -0.413 51.518 52.037 -0.176 0.000 0.680 358 A CB 2.295 21.238 19.000 -0.095 0.000 1.279 358 A HN 0.767 nan 8.150 nan 0.000 0.411 359 I N -0.049 120.346 120.570 -0.291 0.000 2.842 359 I HA 0.683 4.853 4.170 -0.000 0.000 0.297 359 I C -0.336 175.742 176.117 -0.066 0.000 1.380 359 I CA -0.207 60.897 61.300 -0.326 0.000 1.018 359 I CB 2.221 40.116 38.000 -0.175 0.000 1.311 359 I HN 1.066 nan 8.210 nan 0.000 0.439 360 G N 5.057 113.778 108.800 -0.132 0.000 2.513 360 G HA2 0.797 4.757 3.960 -0.000 0.000 0.317 360 G HA3 0.797 4.757 3.960 -0.000 0.000 0.317 360 G C -1.578 173.093 174.900 -0.381 0.000 1.277 360 G CA -0.478 44.390 45.100 -0.387 0.000 0.955 360 G HN 0.826 nan 8.290 nan 0.000 0.484 361 A N 2.218 124.787 122.820 -0.418 0.000 2.331 361 A HA 0.794 5.114 4.320 -0.000 0.000 0.320 361 A C -0.448 176.949 177.584 -0.313 0.000 1.138 361 A CA -0.561 51.316 52.037 -0.266 0.000 0.790 361 A CB 0.937 19.838 19.000 -0.165 0.000 1.206 361 A HN 0.697 nan 8.150 nan 0.000 0.470 362 L N 2.729 123.818 121.223 -0.223 0.000 2.307 362 L HA 0.646 4.985 4.340 -0.000 0.000 0.284 362 L C 0.983 177.771 176.870 -0.137 0.000 1.023 362 L CA -0.580 54.134 54.840 -0.211 0.000 0.810 362 L CB 1.628 43.571 42.059 -0.194 0.000 1.231 362 L HN 0.804 nan 8.230 nan 0.000 0.423 363 G N 1.266 109.967 108.800 -0.166 0.000 2.557 363 G HA2 0.404 4.364 3.960 -0.000 0.000 0.292 363 G HA3 0.404 4.364 3.960 -0.000 0.000 0.292 363 G C -0.349 174.478 174.900 -0.122 0.000 1.237 363 G CA -0.416 44.593 45.100 -0.152 0.000 0.978 363 G HN 0.466 nan 8.290 nan 0.000 0.498 364 T N 0.607 115.093 114.554 -0.112 0.000 2.901 364 T HA 0.202 4.552 4.350 -0.000 0.000 0.301 364 T C 0.694 175.320 174.700 -0.123 0.000 1.012 364 T CA 0.210 62.255 62.100 -0.091 0.000 1.135 364 T CB 0.511 69.336 68.868 -0.072 0.000 0.936 364 T HN 0.236 nan 8.240 nan 0.000 0.539 365 I N 3.864 124.354 120.570 -0.133 0.000 2.517 365 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 365 I C 0.785 176.831 176.117 -0.119 0.000 1.106 365 I CA 0.429 61.633 61.300 -0.160 0.000 1.402 365 I CB 0.153 38.001 38.000 -0.254 0.000 1.399 365 I HN 0.295 nan 8.210 nan 0.000 0.535 366 K N 4.839 125.171 120.400 -0.112 0.000 2.426 366 K HA 0.698 5.018 4.320 -0.000 0.000 0.251 366 K C -0.986 175.566 176.600 -0.081 0.000 0.941 366 K CA -0.909 55.325 56.287 -0.089 0.000 0.808 366 K CB 2.304 34.749 32.500 -0.091 0.000 1.265 366 K HN 0.619 nan 8.250 nan 0.000 0.432 367 A N 4.534 127.315 122.820 -0.065 0.000 2.347 367 A HA 0.443 4.763 4.320 -0.000 0.000 0.287 367 A C -0.604 176.941 177.584 -0.065 0.000 1.199 367 A CA -0.215 51.787 52.037 -0.059 0.000 0.851 367 A CB -0.210 18.763 19.000 -0.046 0.000 1.118 367 A HN 0.578 nan 8.150 nan 0.000 0.525 368 L N 3.558 124.737 121.223 -0.072 0.000 2.370 368 L HA 0.440 4.780 4.340 -0.000 0.000 0.266 368 L C -2.469 174.344 176.870 -0.095 0.000 1.002 368 L CA -2.424 52.367 54.840 -0.082 0.000 0.818 368 L CB 2.542 44.549 42.059 -0.086 0.000 1.325 368 L HN 0.382 nan 8.230 nan 0.000 0.418 369 P HA 0.180 nan 4.420 nan 0.000 0.264 369 P C -0.994 176.171 177.300 -0.225 0.000 1.229 369 P CA 0.025 63.030 63.100 -0.158 0.000 0.780 369 P CB 0.393 31.992 31.700 -0.167 0.000 0.808 370 R N 2.427 122.796 120.500 -0.218 0.000 2.867 370 R HA 0.508 4.848 4.340 -0.000 0.000 0.268 370 R C -0.556 175.602 176.300 -0.238 0.000 1.014 370 R CA -0.911 55.041 56.100 -0.247 0.000 0.946 370 R CB 0.993 31.230 30.300 -0.105 0.000 1.208 370 R HN 0.239 nan 8.270 nan 0.000 0.477 371 F N 1.990 121.938 119.950 -0.002 0.000 2.410 371 F HA 0.157 4.684 4.527 -0.000 0.000 0.348 371 F C 1.232 177.031 175.800 -0.000 0.000 1.106 371 F CA -0.753 57.246 58.000 -0.000 0.000 1.163 371 F CB 0.487 39.489 39.000 0.002 0.000 1.129 371 F HN 0.480 nan 8.300 nan 0.000 0.516 372 N N 1.546 120.377 118.700 0.217 0.000 2.366 372 N HA 0.069 4.809 4.740 -0.000 0.000 0.277 372 N C 0.633 176.203 175.510 0.099 0.000 1.275 372 N CA -0.309 52.813 53.050 0.120 0.000 0.964 372 N CB 0.160 38.694 38.487 0.077 0.000 1.167 372 N HN 0.597 nan 8.380 nan 0.000 0.568 373 E N -0.482 119.754 120.200 0.059 0.000 2.153 373 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 373 E C 0.772 177.383 176.600 0.018 0.000 0.988 373 E CA 1.011 57.433 56.400 0.037 0.000 0.811 373 E CB -0.123 29.596 29.700 0.032 0.000 0.746 373 E HN 0.550 nan 8.360 nan 0.000 0.466 374 K N -0.114 120.300 120.400 0.024 0.000 2.525 374 K HA 0.022 4.342 4.320 -0.000 0.000 0.192 374 K C 1.082 177.674 176.600 -0.013 0.000 1.029 374 K CA 0.673 56.965 56.287 0.008 0.000 1.029 374 K CB 0.373 32.883 32.500 0.017 0.000 0.814 374 K HN 0.255 nan 8.250 nan 0.000 0.503 375 G N 2.187 110.975 108.800 -0.020 0.000 2.147 375 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 375 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 375 G C -0.375 174.536 174.900 0.018 0.000 1.005 375 G CA 0.144 45.170 45.100 -0.124 0.000 0.713 375 G HN 0.434 nan 8.290 nan 0.000 0.515 376 E N -0.938 119.357 120.200 0.158 0.000 2.250 376 E HA 0.550 4.900 4.350 -0.000 0.000 0.269 376 E C 0.169 176.954 176.600 0.309 0.000 1.018 376 E CA -0.937 55.585 56.400 0.203 0.000 0.873 376 E CB 2.034 31.796 29.700 0.102 0.000 1.134 376 E HN 0.075 nan 8.360 nan 0.000 0.403 377 V N 2.447 122.483 119.914 0.204 0.000 2.408 377 V HA 0.112 4.232 4.120 -0.000 0.000 0.267 377 V C -0.169 175.928 176.094 0.005 0.000 1.047 377 V CA -0.387 61.942 62.300 0.048 0.000 0.937 377 V CB 0.210 32.028 31.823 -0.009 0.000 0.999 377 V HN 0.764 nan 8.190 nan 0.000 0.472 378 C N 4.236 123.518 119.300 -0.029 0.000 2.630 378 C HA 0.511 4.971 4.460 -0.000 0.000 0.346 378 C C 0.342 175.304 174.990 -0.047 0.000 1.245 378 C CA -1.223 57.783 59.018 -0.021 0.000 1.804 378 C CB 1.757 29.496 27.740 -0.002 0.000 2.279 378 C HN 0.860 nan 8.230 nan 0.000 0.498 379 K N 1.385 121.765 120.400 -0.034 0.000 2.285 379 K HA 0.589 4.909 4.320 -0.000 0.000 0.286 379 K C -0.590 175.987 176.600 -0.039 0.000 1.072 379 K CA 0.083 56.346 56.287 -0.040 0.000 0.913 379 K CB 0.408 32.890 32.500 -0.029 0.000 1.067 379 K HN 0.840 nan 8.250 nan 0.000 0.479 380 A N 4.389 127.178 122.820 -0.051 0.000 2.331 380 A HA 0.276 4.596 4.320 -0.000 0.000 0.320 380 A C -0.852 176.698 177.584 -0.057 0.000 1.138 380 A CA -0.846 51.162 52.037 -0.049 0.000 0.790 380 A CB 1.136 20.106 19.000 -0.050 0.000 1.206 380 A HN 0.666 nan 8.150 nan 0.000 0.470 381 Q N 2.462 122.229 119.800 -0.055 0.000 2.381 381 Q HA 0.172 4.512 4.340 -0.000 0.000 0.243 381 Q C -0.348 175.600 176.000 -0.086 0.000 1.154 381 Q CA 0.304 56.065 55.803 -0.071 0.000 0.899 381 Q CB 0.205 28.903 28.738 -0.068 0.000 1.396 381 Q HN 0.528 nan 8.270 nan 0.000 0.485 382 I N 2.855 123.369 120.570 -0.093 0.000 2.353 382 I HA 0.384 4.554 4.170 -0.000 0.000 0.293 382 I C 0.231 176.273 176.117 -0.126 0.000 0.992 382 I CA -0.423 60.818 61.300 -0.098 0.000 1.268 382 I CB 1.109 39.053 38.000 -0.094 0.000 1.387 382 I HN 0.465 nan 8.210 nan 0.000 0.478 383 M N 6.044 125.569 119.600 -0.124 0.000 2.395 383 M HA 0.413 4.893 4.480 -0.000 0.000 0.307 383 M C -1.133 175.075 176.300 -0.152 0.000 1.091 383 M CA -0.543 54.667 55.300 -0.150 0.000 0.919 383 M CB 2.093 34.608 32.600 -0.142 0.000 1.662 383 M HN 0.498 nan 8.290 nan 0.000 0.440 384 N N 1.803 120.362 118.700 -0.235 0.000 2.456 384 N HA 0.525 5.265 4.740 -0.000 0.000 0.288 384 N C -1.397 173.997 175.510 -0.194 0.000 1.059 384 N CA -0.523 52.354 53.050 -0.289 0.000 0.946 384 N CB 2.381 40.436 38.487 -0.719 0.000 1.150 384 N HN 0.339 nan 8.380 nan 0.000 0.479 385 V N 1.276 121.137 119.914 -0.089 0.000 2.680 385 V HA 0.598 4.717 4.120 -0.000 0.000 0.309 385 V C -0.970 174.997 176.094 -0.211 0.000 1.052 385 V CA -0.310 61.842 62.300 -0.247 0.000 0.908 385 V CB 1.763 33.408 31.823 -0.296 0.000 1.001 385 V HN 0.708 nan 8.190 nan 0.000 0.431 386 S N 5.734 121.211 115.700 -0.372 0.000 2.519 386 S HA 0.632 5.102 4.470 -0.000 0.000 0.309 386 S C -1.444 172.922 174.600 -0.389 0.000 1.100 386 S CA -0.419 57.635 58.200 -0.244 0.000 1.059 386 S CB 1.079 64.225 63.200 -0.089 0.000 1.008 386 S HN 0.711 nan 8.310 nan 0.000 0.478 387 W N 1.295 122.607 121.300 0.021 0.000 2.627 387 W HA 0.674 5.334 4.660 -0.000 0.000 0.339 387 W C 0.126 176.631 176.519 -0.024 0.000 1.058 387 W CA -0.583 56.764 57.345 0.003 0.000 1.223 387 W CB 1.390 30.899 29.460 0.081 0.000 1.389 387 W HN 0.414 nan 8.180 nan 0.000 0.541 388 S N 1.323 117.146 115.700 0.206 0.000 2.526 388 S HA 0.903 5.373 4.470 -0.000 0.000 0.293 388 S C -0.821 173.826 174.600 0.079 0.000 1.092 388 S CA -0.755 57.524 58.200 0.133 0.000 0.980 388 S CB 1.709 65.015 63.200 0.177 0.000 1.048 388 S HN 0.573 nan 8.310 nan 0.000 0.483 389 A N 1.321 124.179 122.820 0.064 0.000 2.572 389 A HA 0.638 4.958 4.320 -0.000 0.000 0.295 389 A C -1.407 176.139 177.584 -0.063 0.000 1.072 389 A CA -0.708 51.320 52.037 -0.015 0.000 0.691 389 A CB 1.116 20.128 19.000 0.020 0.000 1.291 389 A HN 0.644 nan 8.150 nan 0.000 0.404 390 D N 0.694 121.024 120.400 -0.116 0.000 2.367 390 D HA 0.045 4.685 4.640 -0.000 0.000 0.255 390 D C 0.688 176.991 176.300 0.005 0.000 1.300 390 D CA 0.300 54.244 54.000 -0.094 0.000 0.959 390 D CB 0.139 40.874 40.800 -0.108 0.000 1.064 390 D HN 0.568 nan 8.370 nan 0.000 0.509 391 H N 4.282 123.331 119.070 -0.034 0.000 2.561 391 H HA 0.040 4.596 4.556 -0.000 0.000 0.278 391 H C 1.451 176.744 175.328 -0.058 0.000 1.014 391 H CA 0.792 56.815 56.048 -0.041 0.000 1.211 391 H CB 0.382 30.162 29.762 0.029 0.000 1.365 391 H HN 0.447 nan 8.280 nan 0.000 0.594 392 R N -0.166 120.382 120.500 0.081 0.000 2.081 392 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 392 R C 1.885 178.192 176.300 0.012 0.000 1.131 392 R CA 1.662 57.773 56.100 0.017 0.000 0.960 392 R CB 0.127 30.423 30.300 -0.006 0.000 0.856 392 R HN 0.326 nan 8.270 nan 0.000 0.436 393 I N -2.357 118.213 120.570 0.000 0.000 4.288 393 I HA 0.283 4.453 4.170 -0.000 0.000 0.331 393 I C 0.105 176.203 176.117 -0.032 0.000 1.322 393 I CA 0.316 61.604 61.300 -0.020 0.000 1.149 393 I CB 0.186 38.155 38.000 -0.052 0.000 1.112 393 I HN -0.126 nan 8.210 nan 0.000 0.403 394 I N 3.629 124.169 120.570 -0.049 0.000 2.378 394 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 394 I C -0.662 175.317 176.117 -0.231 0.000 0.992 394 I CA -0.580 60.644 61.300 -0.127 0.000 1.154 394 I CB 1.670 39.576 38.000 -0.156 0.000 1.315 394 I HN 0.121 nan 8.210 nan 0.000 0.448 395 D N 3.831 124.077 120.400 -0.256 0.000 2.385 395 D HA 0.346 4.986 4.640 -0.000 0.000 0.254 395 D C 1.133 177.080 176.300 -0.588 0.000 1.053 395 D CA -0.732 53.040 54.000 -0.380 0.000 0.992 395 D CB 1.095 41.793 40.800 -0.169 0.000 1.145 395 D HN 0.503 nan 8.370 nan 0.000 0.523 396 G N -0.632 107.722 108.800 -0.744 0.000 2.408 396 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.217 396 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.217 396 G C 1.428 176.127 174.900 -0.334 0.000 1.150 396 G CA 0.830 45.487 45.100 -0.738 0.000 0.776 396 G HN 0.628 nan 8.290 nan 0.000 0.542 397 A N 0.616 123.292 122.820 -0.240 0.000 1.883 397 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 397 A C 2.531 179.960 177.584 -0.258 0.000 1.186 397 A CA 2.566 54.497 52.037 -0.177 0.000 0.624 397 A CB -1.108 17.833 19.000 -0.098 0.000 0.822 397 A HN 0.293 nan 8.150 nan 0.000 0.444 398 T N -0.284 114.108 114.554 -0.270 0.000 2.684 398 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 398 T C 1.882 176.272 174.700 -0.517 0.000 1.036 398 T CA 1.724 63.615 62.100 -0.348 0.000 1.148 398 T CB -0.553 68.187 68.868 -0.214 0.000 0.863 398 T HN 0.162 nan 8.240 nan 0.000 0.436 399 V N 1.132 120.785 119.914 -0.435 0.000 2.343 399 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 399 V C 2.720 178.442 176.094 -0.620 0.000 1.051 399 V CA 1.998 64.021 62.300 -0.461 0.000 1.036 399 V CB -0.827 30.829 31.823 -0.280 0.000 0.654 399 V HN 0.498 nan 8.190 nan 0.000 0.451 400 S N -0.587 114.670 115.700 -0.738 0.000 2.356 400 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 400 S C 2.196 176.583 174.600 -0.355 0.000 1.032 400 S CA 1.632 59.401 58.200 -0.719 0.000 1.005 400 S CB -0.242 62.712 63.200 -0.409 0.000 0.867 400 S HN 0.533 nan 8.310 nan 0.000 0.449 401 R N -0.568 119.703 120.500 -0.382 0.000 2.083 401 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 401 R C 2.177 178.188 176.300 -0.483 0.000 1.137 401 R CA 1.925 57.801 56.100 -0.373 0.000 0.951 401 R CB -0.684 29.348 30.300 -0.446 0.000 0.851 401 R HN 0.602 nan 8.270 nan 0.000 0.434 402 F N 0.954 120.341 119.950 -0.938 0.000 2.134 402 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 402 F C 2.509 178.134 175.800 -0.292 0.000 1.097 402 F CA 1.704 59.306 58.000 -0.663 0.000 1.264 402 F CB -0.454 38.109 39.000 -0.728 0.000 1.001 402 F HN -0.124 nan 8.300 nan 0.000 0.479 403 S N 0.482 115.912 115.700 -0.451 0.000 2.345 403 S HA -0.189 4.281 4.470 -0.000 0.000 0.220 403 S C 1.910 176.553 174.600 0.071 0.000 1.031 403 S CA 1.510 59.597 58.200 -0.188 0.000 0.996 403 S CB -0.563 62.749 63.200 0.186 0.000 0.882 403 S HN 0.519 nan 8.310 nan 0.000 0.445 404 N N 1.791 120.516 118.700 0.043 0.000 2.060 404 N HA -0.125 4.615 4.740 -0.000 0.000 0.195 404 N C 1.750 177.278 175.510 0.029 0.000 1.028 404 N CA 1.298 54.391 53.050 0.072 0.000 0.861 404 N CB -0.857 37.663 38.487 0.056 0.000 1.029 404 N HN 0.374 nan 8.380 nan 0.000 0.428 405 L N -0.864 120.350 121.223 -0.015 0.000 1.994 405 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 405 L C 2.300 179.109 176.870 -0.102 0.000 1.071 405 L CA 1.404 56.202 54.840 -0.070 0.000 0.745 405 L CB -0.320 41.785 42.059 0.075 0.000 0.892 405 L HN 0.315 nan 8.230 nan 0.000 0.431 406 W N 1.116 122.289 121.300 -0.212 0.000 2.333 406 W HA -0.291 4.369 4.660 -0.000 0.000 0.316 406 W C 2.695 179.255 176.519 0.068 0.000 1.215 406 W CA 2.158 59.479 57.345 -0.039 0.000 1.278 406 W CB -0.233 29.043 29.460 -0.305 0.000 1.154 406 W HN -0.021 nan 8.180 nan 0.000 0.486 407 K N 0.258 120.772 120.400 0.190 0.000 2.020 407 K HA -0.286 4.034 4.320 -0.000 0.000 0.212 407 K C 2.423 178.959 176.600 -0.108 0.000 1.050 407 K CA 2.525 58.817 56.287 0.007 0.000 0.929 407 K CB -0.704 31.900 32.500 0.173 0.000 0.714 407 K HN 0.288 nan 8.250 nan 0.000 0.443 408 S N -0.419 115.221 115.700 -0.101 0.000 2.382 408 S HA -0.183 4.286 4.470 -0.000 0.000 0.228 408 S C 1.957 176.407 174.600 -0.249 0.000 1.027 408 S CA 1.024 59.123 58.200 -0.169 0.000 0.991 408 S CB -0.614 62.545 63.200 -0.069 0.000 0.823 408 S HN 0.365 nan 8.310 nan 0.000 0.469 409 Y N 1.815 122.080 120.300 -0.059 0.000 2.274 409 Y HA 0.149 4.699 4.550 -0.000 0.000 0.290 409 Y C 2.206 178.009 175.900 -0.161 0.000 1.145 409 Y CA 0.622 58.682 58.100 -0.066 0.000 1.203 409 Y CB -0.509 37.954 38.460 0.006 0.000 0.984 409 Y HN 0.272 nan 8.280 nan 0.000 0.533 410 L N -1.197 119.963 121.223 -0.104 0.000 2.249 410 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 410 L C 2.126 178.898 176.870 -0.163 0.000 1.090 410 L CA 0.765 55.514 54.840 -0.150 0.000 0.802 410 L CB -0.290 41.600 42.059 -0.282 0.000 0.947 410 L HN 0.093 nan 8.230 nan 0.000 0.453 411 E N 0.547 120.627 120.200 -0.199 0.000 2.112 411 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 411 E C 0.138 176.574 176.600 -0.273 0.000 0.979 411 E CA 0.574 56.856 56.400 -0.197 0.000 0.814 411 E CB 0.328 29.931 29.700 -0.163 0.000 0.762 411 E HN 0.486 nan 8.360 nan 0.000 0.460 412 N N 1.031 119.453 118.700 -0.462 0.000 2.851 412 N HA 0.136 4.876 4.740 -0.000 0.000 0.248 412 N C -2.469 172.796 175.510 -0.408 0.000 1.221 412 N CA -1.132 51.546 53.050 -0.620 0.000 0.847 412 N CB 1.524 39.137 38.487 -1.456 0.000 1.150 412 N HN -0.044 nan 8.380 nan 0.000 0.507 413 P HA -0.124 nan 4.420 nan 0.000 0.223 413 P C 1.274 178.632 177.300 0.098 0.000 1.144 413 P CA 0.812 63.914 63.100 0.004 0.000 0.783 413 P CB 0.358 32.050 31.700 -0.014 0.000 0.771 414 A N -1.197 121.682 122.820 0.098 0.000 1.968 414 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 414 A C 1.702 179.517 177.584 0.385 0.000 1.169 414 A CA 0.987 53.153 52.037 0.213 0.000 0.638 414 A CB -1.503 17.632 19.000 0.226 0.000 0.812 414 A HN 0.040 nan 8.150 nan 0.000 0.446 415 F N -0.245 119.795 119.950 0.149 0.000 2.333 415 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 415 F C 2.257 178.238 175.800 0.302 0.000 1.083 415 F CA 0.507 58.628 58.000 0.202 0.000 1.395 415 F CB -0.972 38.139 39.000 0.184 0.000 1.056 415 F HN 0.187 nan 8.300 nan 0.000 0.529 416 M N -1.163 118.700 119.600 0.438 0.000 2.175 416 M HA -0.179 4.301 4.480 -0.000 0.000 0.264 416 M C 2.182 178.543 176.300 0.102 0.000 1.063 416 M CA 0.934 56.316 55.300 0.136 0.000 1.119 416 M CB -0.435 32.184 32.600 0.031 0.000 1.377 416 M HN 0.104 nan 8.290 nan 0.000 0.415 417 L N 0.449 121.757 121.223 0.140 0.000 2.081 417 L HA -0.209 4.130 4.340 -0.000 0.000 0.212 417 L C 2.124 179.045 176.870 0.085 0.000 1.080 417 L CA 1.542 56.442 54.840 0.100 0.000 0.754 417 L CB -0.840 41.283 42.059 0.107 0.000 0.893 417 L HN 0.220 nan 8.230 nan 0.000 0.433 418 L N -0.844 120.446 121.223 0.112 0.000 2.127 418 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 418 L C 1.575 178.480 176.870 0.059 0.000 1.089 418 L CA 1.940 56.828 54.840 0.080 0.000 0.757 418 L CB -0.561 41.550 42.059 0.086 0.000 0.899 418 L HN 0.384 nan 8.230 nan 0.000 0.434 419 D N -1.659 118.777 120.400 0.060 0.000 2.500 419 D HA 0.202 4.842 4.640 -0.000 0.000 0.217 419 D C 0.399 176.712 176.300 0.021 0.000 1.159 419 D CA -0.045 53.979 54.000 0.040 0.000 0.828 419 D CB 0.702 41.534 40.800 0.053 0.000 1.039 419 D HN 0.235 nan 8.370 nan 0.000 0.512 420 L N 1.047 122.280 121.223 0.017 0.000 2.418 420 L HA 0.323 4.663 4.340 -0.000 0.000 0.265 420 L C 0.675 177.551 176.870 0.011 0.000 1.143 420 L CA -0.069 54.775 54.840 0.007 0.000 0.809 420 L CB 1.003 43.065 42.059 0.004 0.000 1.124 420 L HN -0.379 nan 8.230 nan 0.000 0.456 421 K N 0.000 120.404 120.400 0.007 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.291 56.287 0.006 0.000 0.838 421 K CB 0.000 32.502 32.500 0.002 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543