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 2x9m_1_C DATA FIRST_RESID 187 DATA SEQUENCE QIcLQKTTST ILKPRLISYT LPINTREGVc ITDPLLAVDN GFFAYSHLEK DATA SEQUENCE IGScTRGIAK QRIIGVGEVL DRGDKVPSMF MTNVWTPPNP STIHHcSSTY DATA SEQUENCE HEDFYYTLcA VSHVGDPILN STSWTESLSL IRLAVRPKSD SGDYNQKYIA DATA SEQUENCE ITKVERGKYD KVMPYGPSGI KQGDTLYFPA VGFLPRTEFQ YNDSNcPIIH DATA SEQUENCE cKYSKAENcR LSMGVNSKSH YILRSGLLKY NLSLGGDIIL QFIEIADNRL DATA SEQUENCE TIGSPSKIYN SLGQPVFYQA SYSWDTMIKL GDVDTVDPLR VQWRNNSVIS DATA SEQUENCE RPGQSQcPRF NVcPEVcWEG TYNDAFLIDR LNWVSAGVYL NSNQTAENPV DATA SEQUENCE FAVFKDNEIL YQVPLAEDDT NAQKTITDcF LLENVIWcIS LVEIYDTGDS DATA SEQUENCE VIRPKLFAVK IPAQcSE 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 187 Q HA 0.000 nan 4.340 nan 0.000 0.214 187 Q C 0.000 175.993 176.000 -0.012 0.000 1.003 187 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 187 Q CB 0.000 28.735 28.738 -0.006 0.000 1.108 188 I N -1.561 119.009 120.570 -0.001 0.000 3.239 188 I HA 0.767 4.937 4.170 -0.000 0.000 0.314 188 I C -0.632 175.504 176.117 0.032 0.000 1.126 188 I CA -1.385 59.921 61.300 0.010 0.000 0.973 188 I CB 1.973 39.993 38.000 0.032 0.000 1.252 188 I HN 0.784 nan 8.210 nan 0.000 0.463 189 c N 3.250 121.879 118.600 0.047 0.000 2.632 189 c HA 0.446 5.016 4.570 -0.000 0.000 0.415 189 c C 1.057 175.271 174.090 0.207 0.000 1.332 189 c CA -0.103 56.265 56.329 0.065 0.000 1.874 189 c CB -0.896 41.556 42.510 -0.098 0.000 2.596 189 c HN 0.779 nan 8.230 nan 0.000 0.590 190 L N 4.372 125.680 121.223 0.140 0.000 2.858 190 L HA 0.244 4.584 4.340 -0.000 0.000 0.251 190 L C 0.901 177.847 176.870 0.125 0.000 1.149 190 L CA 0.169 55.085 54.840 0.126 0.000 0.955 190 L CB -0.300 41.800 42.059 0.069 0.000 1.289 190 L HN 0.727 nan 8.230 nan 0.000 0.542 191 Q N 1.128 121.015 119.800 0.145 0.000 2.235 191 Q HA 0.233 4.573 4.340 -0.000 0.000 0.250 191 Q C -0.223 175.882 176.000 0.174 0.000 0.909 191 Q CA -0.368 55.506 55.803 0.118 0.000 0.910 191 Q CB 2.020 30.802 28.738 0.075 0.000 1.223 191 Q HN -0.046 nan 8.270 nan 0.000 0.432 192 K N 1.566 122.039 120.400 0.122 0.000 2.383 192 K HA 0.173 4.493 4.320 -0.000 0.000 0.286 192 K C -0.899 175.776 176.600 0.124 0.000 1.051 192 K CA 0.283 56.646 56.287 0.127 0.000 0.974 192 K CB 0.624 33.169 32.500 0.076 0.000 0.968 192 K HN 0.554 nan 8.250 nan 0.000 0.475 193 T N 1.720 116.374 114.554 0.167 0.000 2.956 193 T HA 0.192 4.542 4.350 -0.000 0.000 0.312 193 T C 0.239 175.009 174.700 0.117 0.000 1.151 193 T CA -0.566 61.603 62.100 0.115 0.000 1.024 193 T CB 1.379 70.292 68.868 0.076 0.000 1.140 193 T HN 0.674 nan 8.240 nan 0.000 0.473 194 T N 0.581 115.178 114.554 0.072 0.000 3.145 194 T HA 0.335 4.685 4.350 -0.000 0.000 0.255 194 T C 0.670 175.394 174.700 0.040 0.000 1.039 194 T CA -0.351 61.787 62.100 0.064 0.000 0.928 194 T CB -0.074 68.823 68.868 0.048 0.000 1.029 194 T HN 0.418 nan 8.240 nan 0.000 0.554 195 S N 3.123 118.837 115.700 0.023 0.000 2.579 195 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 195 S C 0.898 175.492 174.600 -0.010 0.000 1.345 195 S CA -0.382 57.815 58.200 -0.005 0.000 1.031 195 S CB 0.690 63.872 63.200 -0.031 0.000 0.892 195 S HN 0.679 nan 8.310 nan 0.000 0.529 196 T N -0.089 114.454 114.554 -0.019 0.000 3.945 196 T HA 0.294 4.644 4.350 -0.000 0.000 0.306 196 T C 0.991 175.657 174.700 -0.056 0.000 1.475 196 T CA -0.488 61.599 62.100 -0.021 0.000 1.177 196 T CB -1.177 67.682 68.868 -0.015 0.000 1.272 196 T HN 0.621 nan 8.240 nan 0.000 0.930 197 I N -1.147 119.368 120.570 -0.092 0.000 3.603 197 I HA 0.405 4.574 4.170 -0.000 0.000 0.297 197 I C 0.165 176.190 176.117 -0.153 0.000 1.269 197 I CA -0.287 60.917 61.300 -0.159 0.000 1.361 197 I CB 0.085 37.918 38.000 -0.279 0.000 1.063 197 I HN 0.305 nan 8.210 nan 0.000 0.448 198 L N 3.216 124.391 121.223 -0.079 0.000 2.275 198 L HA 0.441 4.781 4.340 -0.000 0.000 0.288 198 L C -0.166 176.656 176.870 -0.079 0.000 1.046 198 L CA -0.194 54.609 54.840 -0.062 0.000 0.805 198 L CB 1.138 43.231 42.059 0.057 0.000 1.193 198 L HN 0.131 nan 8.230 nan 0.000 0.426 199 K N 4.513 124.841 120.400 -0.121 0.000 2.624 199 K HA 0.353 4.672 4.320 -0.000 0.000 0.200 199 K C -2.469 174.075 176.600 -0.093 0.000 1.036 199 K CA -1.667 54.568 56.287 -0.087 0.000 1.029 199 K CB 1.246 33.703 32.500 -0.072 0.000 1.317 199 K HN 0.264 nan 8.250 nan 0.000 0.555 200 P HA 0.011 nan 4.420 nan 0.000 0.268 200 P C -0.577 176.769 177.300 0.077 0.000 1.204 200 P CA 0.012 63.081 63.100 -0.051 0.000 0.768 200 P CB 0.548 32.194 31.700 -0.090 0.000 0.842 201 R N 1.927 122.501 120.500 0.124 0.000 2.744 201 R HA 0.547 4.887 4.340 -0.000 0.000 0.279 201 R C -1.261 175.082 176.300 0.071 0.000 0.977 201 R CA -1.113 55.049 56.100 0.104 0.000 0.906 201 R CB 0.616 30.968 30.300 0.087 0.000 1.197 201 R HN 0.091 nan 8.270 nan 0.000 0.463 202 L N 3.139 124.338 121.223 -0.041 0.000 2.410 202 L HA 0.276 4.615 4.340 -0.000 0.000 0.273 202 L C 0.489 177.295 176.870 -0.106 0.000 1.144 202 L CA -0.046 54.681 54.840 -0.189 0.000 0.863 202 L CB 0.526 42.465 42.059 -0.200 0.000 1.140 202 L HN 0.624 nan 8.230 nan 0.000 0.463 203 I N 2.136 122.633 120.570 -0.122 0.000 2.519 203 I HA 0.126 4.296 4.170 -0.000 0.000 0.287 203 I C 0.509 176.607 176.117 -0.032 0.000 1.047 203 I CA -0.078 61.172 61.300 -0.083 0.000 1.381 203 I CB 1.303 39.232 38.000 -0.117 0.000 1.417 203 I HN 0.639 nan 8.210 nan 0.000 0.540 204 S N 7.316 122.969 115.700 -0.078 0.000 2.448 204 S HA 0.295 4.765 4.470 -0.000 0.000 0.279 204 S C -0.929 173.585 174.600 -0.143 0.000 1.195 204 S CA -0.273 57.853 58.200 -0.122 0.000 1.051 204 S CB -0.184 62.909 63.200 -0.178 0.000 0.948 204 S HN 0.484 nan 8.310 nan 0.000 0.493 205 Y N 1.355 121.437 120.300 -0.362 0.000 2.470 205 Y HA 0.658 5.207 4.550 -0.000 0.000 0.341 205 Y C -0.349 175.339 175.900 -0.353 0.000 1.021 205 Y CA -1.101 56.745 58.100 -0.424 0.000 1.025 205 Y CB 0.814 39.017 38.460 -0.428 0.000 1.266 205 Y HN 0.502 nan 8.280 nan 0.000 0.448 206 T N 2.781 117.107 114.554 -0.380 0.000 2.875 206 T HA 0.794 5.143 4.350 -0.000 0.000 0.284 206 T C -0.937 173.644 174.700 -0.199 0.000 0.995 206 T CA -0.452 61.457 62.100 -0.317 0.000 1.060 206 T CB 1.408 70.154 68.868 -0.203 0.000 0.967 206 T HN 0.675 nan 8.240 nan 0.000 0.476 207 L N 2.264 123.361 121.223 -0.210 0.000 2.409 207 L HA 0.601 4.941 4.340 -0.000 0.000 0.255 207 L C -2.414 174.419 176.870 -0.062 0.000 1.027 207 L CA -2.193 52.581 54.840 -0.110 0.000 0.834 207 L CB 1.338 43.319 42.059 -0.130 0.000 1.426 207 L HN 0.512 nan 8.230 nan 0.000 0.411 208 P HA 0.148 nan 4.420 nan 0.000 0.263 208 P C -0.492 176.807 177.300 -0.001 0.000 1.195 208 P CA -0.157 62.944 63.100 0.002 0.000 0.762 208 P CB 0.048 31.763 31.700 0.024 0.000 0.799 209 I N 3.303 123.862 120.570 -0.018 0.000 2.815 209 I HA -0.056 4.113 4.170 -0.000 0.000 0.291 209 I C 1.203 177.322 176.117 0.003 0.000 1.209 209 I CA -0.030 61.256 61.300 -0.023 0.000 1.431 209 I CB -0.230 37.751 38.000 -0.031 0.000 1.351 209 I HN 0.536 nan 8.210 nan 0.000 0.585 210 N N 3.908 122.611 118.700 0.004 0.000 2.479 210 N HA -0.028 4.712 4.740 -0.000 0.000 0.257 210 N C 0.757 176.268 175.510 0.003 0.000 1.232 210 N CA 0.001 53.060 53.050 0.014 0.000 0.920 210 N CB 0.545 39.034 38.487 0.004 0.000 1.105 210 N HN 0.697 nan 8.380 nan 0.000 0.444 211 T N -1.518 113.040 114.554 0.007 0.000 3.014 211 T HA 0.031 4.381 4.350 -0.000 0.000 0.263 211 T C 0.796 175.495 174.700 -0.002 0.000 1.078 211 T CA 0.351 62.452 62.100 0.001 0.000 1.135 211 T CB 0.009 68.879 68.868 0.003 0.000 0.895 211 T HN 0.861 nan 8.240 nan 0.000 0.480 212 R N -0.675 119.824 120.500 -0.002 0.000 2.870 212 R HA 0.748 5.088 4.340 -0.000 0.000 0.262 212 R C -1.271 175.026 176.300 -0.005 0.000 1.112 212 R CA -1.138 54.960 56.100 -0.003 0.000 0.976 212 R CB 1.210 31.509 30.300 -0.001 0.000 1.261 212 R HN 0.152 nan 8.270 nan 0.000 0.453 213 E N -0.803 119.394 120.200 -0.004 0.000 2.450 213 E HA 0.443 4.793 4.350 -0.000 0.000 0.248 213 E C -0.425 176.175 176.600 -0.000 0.000 0.930 213 E CA -1.052 55.345 56.400 -0.005 0.000 0.854 213 E CB 1.365 31.062 29.700 -0.005 0.000 1.355 213 E HN 0.853 nan 8.360 nan 0.000 0.402 214 G N 0.037 108.839 108.800 0.002 0.000 2.298 214 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.287 214 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.287 214 G C -0.605 174.300 174.900 0.008 0.000 1.075 214 G CA 0.221 45.325 45.100 0.007 0.000 0.960 214 G HN 0.193 nan 8.290 nan 0.000 0.502 215 V N -0.360 119.557 119.914 0.006 0.000 2.841 215 V HA 0.686 4.806 4.120 -0.000 0.000 0.310 215 V C 0.061 176.157 176.094 0.003 0.000 1.090 215 V CA -0.492 61.809 62.300 0.002 0.000 0.930 215 V CB 2.294 34.111 31.823 -0.010 0.000 1.014 215 V HN 0.815 nan 8.190 nan 0.000 0.425 216 c N 6.640 125.246 118.600 0.009 0.000 2.379 216 c HA 0.663 5.233 4.570 -0.000 0.000 0.323 216 c C -0.618 173.460 174.090 -0.020 0.000 1.262 216 c CA -0.626 55.717 56.329 0.023 0.000 1.581 216 c CB 0.164 42.718 42.510 0.075 0.000 2.221 216 c HN 0.678 nan 8.230 nan 0.000 0.497 217 I N 6.916 127.452 120.570 -0.057 0.000 2.312 217 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 217 I C 0.797 176.891 176.117 -0.038 0.000 1.008 217 I CA 0.461 61.674 61.300 -0.146 0.000 1.226 217 I CB 0.762 38.620 38.000 -0.237 0.000 1.371 217 I HN 0.940 nan 8.210 nan 0.000 0.468 218 T N 0.876 115.433 114.554 0.004 0.000 2.696 218 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 218 T C -0.148 174.592 174.700 0.066 0.000 1.095 218 T CA -0.673 61.466 62.100 0.066 0.000 1.026 218 T CB 1.709 70.631 68.868 0.091 0.000 1.390 218 T HN 0.423 nan 8.240 nan 0.000 0.513 219 D N 1.552 121.984 120.400 0.054 0.000 2.697 219 D HA -0.085 4.555 4.640 -0.000 0.000 0.235 219 D C -2.497 173.802 176.300 -0.001 0.000 1.167 219 D CA 0.140 54.153 54.000 0.023 0.000 0.656 219 D CB -0.931 39.878 40.800 0.015 0.000 1.025 219 D HN 0.477 nan 8.370 nan 0.000 0.419 220 P HA 0.411 nan 4.420 nan 0.000 0.274 220 P C -0.305 176.929 177.300 -0.110 0.000 1.237 220 P CA -0.625 62.426 63.100 -0.082 0.000 0.793 220 P CB 0.869 32.557 31.700 -0.020 0.000 0.977 221 L N 1.649 122.754 121.223 -0.196 0.000 2.445 221 L HA 0.758 5.098 4.340 -0.000 0.000 0.262 221 L C -1.996 174.822 176.870 -0.087 0.000 0.974 221 L CA -1.074 53.697 54.840 -0.115 0.000 0.822 221 L CB 2.025 44.031 42.059 -0.088 0.000 1.339 221 L HN 0.214 nan 8.230 nan 0.000 0.409 222 L N 4.582 125.820 121.223 0.025 0.000 2.516 222 L HA 0.895 5.234 4.340 -0.000 0.000 0.267 222 L C -1.333 175.610 176.870 0.121 0.000 0.957 222 L CA -0.009 54.896 54.840 0.108 0.000 0.860 222 L CB 1.812 43.946 42.059 0.126 0.000 1.265 222 L HN 0.750 nan 8.230 nan 0.000 0.403 223 A N 4.591 127.489 122.820 0.129 0.000 2.343 223 A HA 0.892 5.212 4.320 -0.000 0.000 0.316 223 A C -1.543 176.175 177.584 0.223 0.000 1.104 223 A CA -0.548 51.589 52.037 0.167 0.000 0.768 223 A CB 1.802 20.885 19.000 0.139 0.000 1.213 223 A HN 0.547 nan 8.150 nan 0.000 0.456 224 V N 2.465 122.518 119.914 0.232 0.000 2.577 224 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 224 V C -1.233 174.971 176.094 0.183 0.000 1.042 224 V CA -0.456 61.953 62.300 0.182 0.000 0.872 224 V CB 1.803 33.640 31.823 0.023 0.000 0.998 224 V HN 0.951 nan 8.190 nan 0.000 0.423 225 D N 3.866 124.362 120.400 0.159 0.000 2.931 225 D HA 0.270 4.910 4.640 -0.000 0.000 0.215 225 D C -0.057 176.184 176.300 -0.098 0.000 1.297 225 D CA -0.391 53.664 54.000 0.091 0.000 0.892 225 D CB 1.401 42.314 40.800 0.187 0.000 1.642 225 D HN 0.512 nan 8.370 nan 0.000 0.560 226 N N 2.701 121.346 118.700 -0.091 0.000 2.727 226 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 226 N C 0.837 176.166 175.510 -0.301 0.000 1.048 226 N CA 2.563 55.527 53.050 -0.143 0.000 0.714 226 N CB -1.139 37.262 38.487 -0.145 0.000 0.959 226 N HN 0.988 nan 8.380 nan 0.000 0.544 227 G N -2.638 105.939 108.800 -0.372 0.000 2.162 227 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.260 227 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.260 227 G C 0.090 174.502 174.900 -0.814 0.000 0.976 227 G CA 0.603 45.347 45.100 -0.592 0.000 0.655 227 G HN 0.484 nan 8.290 nan 0.000 0.533 228 F N -0.606 119.254 119.950 -0.151 0.000 2.618 228 F HA 0.826 5.353 4.527 -0.000 0.000 0.332 228 F C 0.195 176.112 175.800 0.195 0.000 1.061 228 F CA -1.284 56.718 58.000 0.002 0.000 0.974 228 F CB 1.558 40.505 39.000 -0.088 0.000 1.310 228 F HN 0.198 nan 8.300 nan 0.000 0.491 229 F N 0.272 120.402 119.950 0.300 0.000 2.599 229 F HA 0.943 5.470 4.527 -0.000 0.000 0.311 229 F C -1.368 174.388 175.800 -0.072 0.000 1.076 229 F CA -1.396 56.681 58.000 0.128 0.000 0.937 229 F CB 1.289 40.306 39.000 0.029 0.000 1.282 229 F HN 0.590 nan 8.300 nan 0.000 0.460 230 A N 2.807 125.392 122.820 -0.390 0.000 2.355 230 A HA 0.733 5.053 4.320 -0.000 0.000 0.317 230 A C -2.267 175.330 177.584 0.023 0.000 1.094 230 A CA -0.723 50.966 52.037 -0.580 0.000 0.764 230 A CB 0.950 19.256 19.000 -1.156 0.000 1.230 230 A HN 1.072 nan 8.150 nan 0.000 0.448 231 Y N 1.387 121.658 120.300 -0.049 0.000 2.492 231 Y HA 0.671 5.221 4.550 -0.000 0.000 0.346 231 Y C -0.375 175.545 175.900 0.035 0.000 0.997 231 Y CA -0.285 57.879 58.100 0.107 0.000 1.025 231 Y CB 2.042 40.687 38.460 0.309 0.000 1.263 231 Y HN 0.836 nan 8.280 nan 0.000 0.454 232 S N 4.675 119.985 115.700 -0.650 0.000 2.556 232 S HA 0.626 5.096 4.470 -0.000 0.000 0.271 232 S C -1.886 172.368 174.600 -0.576 0.000 1.135 232 S CA -0.477 57.449 58.200 -0.456 0.000 0.858 232 S CB 1.009 64.122 63.200 -0.144 0.000 1.114 232 S HN 1.006 nan 8.310 nan 0.000 0.468 233 H N 1.408 120.362 119.070 -0.194 0.000 3.017 233 H HA 0.704 5.259 4.556 -0.000 0.000 0.346 233 H C -2.030 173.310 175.328 0.020 0.000 1.286 233 H CA -1.026 54.974 56.048 -0.080 0.000 1.120 233 H CB 1.138 30.908 29.762 0.014 0.000 1.860 233 H HN 0.506 nan 8.280 nan 0.000 0.542 234 L N 1.720 123.113 121.223 0.283 0.000 2.305 234 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 234 L C -0.110 176.836 176.870 0.127 0.000 1.013 234 L CA -0.285 54.678 54.840 0.204 0.000 0.819 234 L CB 1.583 43.713 42.059 0.118 0.000 1.227 234 L HN 0.794 nan 8.230 nan 0.000 0.417 235 E N 5.194 125.470 120.200 0.128 0.000 2.167 235 E HA 0.301 4.651 4.350 -0.000 0.000 0.284 235 E C -1.093 175.526 176.600 0.032 0.000 1.016 235 E CA -0.480 55.931 56.400 0.018 0.000 0.817 235 E CB 0.735 30.453 29.700 0.031 0.000 1.080 235 E HN 0.526 nan 8.360 nan 0.000 0.397 236 K N 4.422 124.833 120.400 0.018 0.000 2.259 236 K HA 0.428 4.747 4.320 -0.000 0.000 0.249 236 K C -0.401 176.210 176.600 0.019 0.000 0.942 236 K CA -0.859 55.444 56.287 0.026 0.000 0.816 236 K CB 1.710 34.229 32.500 0.033 0.000 1.155 236 K HN 0.552 nan 8.250 nan 0.000 0.428 237 I N 2.550 123.132 120.570 0.020 0.000 2.312 237 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 237 I C 0.993 177.121 176.117 0.018 0.000 1.031 237 I CA 0.590 61.900 61.300 0.016 0.000 1.293 237 I CB 0.657 38.666 38.000 0.014 0.000 1.403 237 I HN 1.022 nan 8.210 nan 0.000 0.484 238 G N 4.935 113.746 108.800 0.018 0.000 2.848 238 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 238 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 238 G C 0.013 174.928 174.900 0.025 0.000 1.374 238 G CA 0.034 45.146 45.100 0.019 0.000 0.982 238 G HN 0.650 nan 8.290 nan 0.000 0.563 239 S N -0.073 115.640 115.700 0.022 0.000 2.584 239 S HA 0.400 4.869 4.470 -0.000 0.000 0.273 239 S C 1.724 176.341 174.600 0.028 0.000 1.311 239 S CA 0.396 58.608 58.200 0.021 0.000 1.034 239 S CB 0.691 63.897 63.200 0.009 0.000 0.939 239 S HN 1.130 nan 8.310 nan 0.000 0.513 240 c N 2.618 121.239 118.600 0.034 0.000 2.440 240 c HA -0.000 4.569 4.570 -0.000 0.000 0.278 240 c C 2.750 176.856 174.090 0.026 0.000 1.295 240 c CA 1.113 57.473 56.329 0.051 0.000 1.738 240 c CB -1.860 40.701 42.510 0.085 0.000 1.987 240 c HN 1.020 nan 8.230 nan 0.000 0.492 241 T N -2.294 112.261 114.554 0.001 0.000 3.051 241 T HA 0.099 4.449 4.350 -0.000 0.000 0.255 241 T C 1.500 176.205 174.700 0.009 0.000 1.085 241 T CA 0.600 62.699 62.100 -0.002 0.000 1.109 241 T CB -0.047 68.807 68.868 -0.023 0.000 0.921 241 T HN 0.389 nan 8.240 nan 0.000 0.488 242 R N 0.963 121.470 120.500 0.011 0.000 2.549 242 R HA 0.382 4.722 4.340 -0.000 0.000 0.344 242 R C 1.035 177.347 176.300 0.021 0.000 0.979 242 R CA -0.079 56.031 56.100 0.017 0.000 1.140 242 R CB 0.514 30.821 30.300 0.012 0.000 1.377 242 R HN 0.449 nan 8.270 nan 0.000 0.541 243 G N 1.434 110.248 108.800 0.024 0.000 2.572 243 G HA2 0.273 4.232 3.960 -0.000 0.000 0.261 243 G HA3 0.273 4.232 3.960 -0.000 0.000 0.261 243 G C 0.265 175.182 174.900 0.029 0.000 1.197 243 G CA -0.541 44.574 45.100 0.025 0.000 0.870 243 G HN -0.020 nan 8.290 nan 0.000 0.548 244 I N 1.275 121.861 120.570 0.026 0.000 2.533 244 I HA 0.142 4.312 4.170 -0.000 0.000 0.284 244 I C 1.233 177.369 176.117 0.031 0.000 1.109 244 I CA -0.465 60.852 61.300 0.028 0.000 1.412 244 I CB 0.312 38.325 38.000 0.022 0.000 1.396 244 I HN 0.477 nan 8.210 nan 0.000 0.543 245 A N 6.940 129.783 122.820 0.038 0.000 2.488 245 A HA 0.129 4.449 4.320 -0.000 0.000 0.249 245 A C 1.095 178.697 177.584 0.030 0.000 1.083 245 A CA -0.057 52.005 52.037 0.041 0.000 0.768 245 A CB 0.271 19.302 19.000 0.052 0.000 1.017 245 A HN 0.902 nan 8.150 nan 0.000 0.496 246 K N 1.191 121.609 120.400 0.030 0.000 2.353 246 K HA 0.188 4.508 4.320 -0.000 0.000 0.206 246 K C 0.523 177.133 176.600 0.018 0.000 1.191 246 K CA 0.423 56.722 56.287 0.020 0.000 0.897 246 K CB 0.288 32.800 32.500 0.020 0.000 1.283 246 K HN 0.754 nan 8.250 nan 0.000 0.477 247 Q N 0.590 120.413 119.800 0.039 0.000 2.315 247 Q HA 0.292 4.632 4.340 -0.000 0.000 0.273 247 Q C -1.853 174.196 176.000 0.081 0.000 1.053 247 Q CA -0.989 54.837 55.803 0.039 0.000 0.817 247 Q CB 2.059 30.827 28.738 0.050 0.000 1.326 247 Q HN 0.070 nan 8.270 nan 0.000 0.423 248 R N 4.104 124.622 120.500 0.030 0.000 2.393 248 R HA 0.597 4.937 4.340 -0.000 0.000 0.310 248 R C -1.195 175.104 176.300 -0.001 0.000 0.968 248 R CA -0.347 55.782 56.100 0.047 0.000 0.867 248 R CB 0.718 31.033 30.300 0.025 0.000 1.124 248 R HN 0.654 nan 8.270 nan 0.000 0.450 249 I N 1.765 122.335 120.570 -0.001 0.000 2.509 249 I HA 0.571 4.740 4.170 -0.000 0.000 0.293 249 I C -0.904 175.244 176.117 0.051 0.000 1.020 249 I CA -1.065 60.225 61.300 -0.017 0.000 1.088 249 I CB 2.027 39.972 38.000 -0.092 0.000 1.267 249 I HN 0.494 nan 8.210 nan 0.000 0.430 250 I N 5.111 125.795 120.570 0.190 0.000 2.389 250 I HA 0.682 4.852 4.170 -0.000 0.000 0.288 250 I C 0.271 176.487 176.117 0.166 0.000 0.999 250 I CA -0.449 60.965 61.300 0.190 0.000 1.129 250 I CB 1.834 39.995 38.000 0.268 0.000 1.288 250 I HN 0.865 nan 8.210 nan 0.000 0.444 251 G N 5.144 114.011 108.800 0.113 0.000 2.563 251 G HA2 0.761 4.720 3.960 -0.000 0.000 0.302 251 G HA3 0.761 4.720 3.960 -0.000 0.000 0.302 251 G C -1.085 173.753 174.900 -0.104 0.000 1.301 251 G CA -0.587 44.550 45.100 0.063 0.000 0.965 251 G HN 0.516 nan 8.290 nan 0.000 0.480 252 V N -1.316 118.476 119.914 -0.203 0.000 3.130 252 V HA 1.084 5.203 4.120 -0.000 0.000 0.310 252 V C 0.214 176.012 176.094 -0.492 0.000 1.158 252 V CA -0.070 61.966 62.300 -0.441 0.000 1.029 252 V CB 1.487 33.215 31.823 -0.159 0.000 1.057 252 V HN 1.959 nan 8.190 nan 0.000 0.436 253 G N 1.011 109.395 108.800 -0.693 0.000 2.428 253 G HA2 0.495 4.455 3.960 -0.000 0.000 0.304 253 G HA3 0.495 4.455 3.960 -0.000 0.000 0.304 253 G C -1.731 173.312 174.900 0.238 0.000 1.303 253 G CA -0.733 44.269 45.100 -0.163 0.000 0.825 253 G HN 0.874 nan 8.290 nan 0.000 0.484 254 E N -0.600 119.864 120.200 0.440 0.000 2.231 254 E HA 0.490 4.840 4.350 -0.000 0.000 0.277 254 E C -0.772 176.011 176.600 0.306 0.000 0.999 254 E CA -0.690 55.895 56.400 0.309 0.000 0.827 254 E CB 2.781 32.571 29.700 0.151 0.000 1.101 254 E HN 0.162 nan 8.360 nan 0.000 0.393 255 V N 4.888 124.832 119.914 0.050 0.000 2.333 255 V HA 0.264 4.384 4.120 -0.000 0.000 0.274 255 V C -0.057 175.955 176.094 -0.137 0.000 1.028 255 V CA -0.250 62.000 62.300 -0.084 0.000 0.851 255 V CB 0.215 31.863 31.823 -0.291 0.000 1.000 255 V HN 0.467 nan 8.190 nan 0.000 0.456 256 L N 3.118 124.321 121.223 -0.032 0.000 2.319 256 L HA 0.607 4.947 4.340 -0.000 0.000 0.267 256 L C -0.156 176.680 176.870 -0.056 0.000 1.011 256 L CA -0.858 53.958 54.840 -0.042 0.000 0.818 256 L CB 2.043 44.112 42.059 0.018 0.000 1.316 256 L HN 0.442 nan 8.230 nan 0.000 0.432 257 D N 1.064 121.419 120.400 -0.075 0.000 2.325 257 D HA 0.069 4.709 4.640 -0.000 0.000 0.251 257 D C 1.093 177.368 176.300 -0.041 0.000 1.196 257 D CA -0.244 53.707 54.000 -0.083 0.000 0.866 257 D CB 1.088 41.843 40.800 -0.075 0.000 1.101 257 D HN 0.499 nan 8.370 nan 0.000 0.476 258 R N 3.010 123.493 120.500 -0.029 0.000 2.189 258 R HA 0.043 4.383 4.340 -0.000 0.000 0.223 258 R C 1.175 177.474 176.300 -0.002 0.000 1.092 258 R CA 1.076 57.188 56.100 0.020 0.000 0.989 258 R CB 0.172 30.487 30.300 0.025 0.000 0.876 258 R HN 0.496 nan 8.270 nan 0.000 0.457 259 G N 1.225 110.013 108.800 -0.020 0.000 3.505 259 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.210 259 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.210 259 G C -0.340 174.553 174.900 -0.011 0.000 1.047 259 G CA 0.083 45.174 45.100 -0.015 0.000 0.884 259 G HN 0.443 nan 8.290 nan 0.000 0.434 260 D N 0.907 121.300 120.400 -0.011 0.000 2.894 260 D HA 0.321 4.961 4.640 -0.000 0.000 0.273 260 D C 0.667 176.975 176.300 0.013 0.000 1.328 260 D CA -0.434 53.569 54.000 0.004 0.000 0.845 260 D CB -0.091 40.716 40.800 0.011 0.000 1.072 260 D HN 0.455 nan 8.370 nan 0.000 0.484 261 K N -0.740 119.656 120.400 -0.005 0.000 3.071 261 K HA -0.130 4.190 4.320 -0.000 0.000 0.265 261 K C -0.866 175.700 176.600 -0.058 0.000 1.060 261 K CA 0.489 56.778 56.287 0.003 0.000 0.767 261 K CB -1.410 31.137 32.500 0.079 0.000 1.241 261 K HN 0.240 nan 8.250 nan 0.000 0.486 262 V N 0.467 120.267 119.914 -0.190 0.000 2.588 262 V HA 0.344 4.464 4.120 -0.000 0.000 0.304 262 V C -2.167 173.631 176.094 -0.493 0.000 1.042 262 V CA -1.927 60.103 62.300 -0.449 0.000 0.877 262 V CB 1.906 33.621 31.823 -0.181 0.000 0.996 262 V HN -0.034 nan 8.190 nan 0.000 0.425 263 P HA 0.392 nan 4.420 nan 0.000 0.275 263 P C -0.561 176.593 177.300 -0.243 0.000 1.227 263 P CA 0.040 62.896 63.100 -0.407 0.000 0.781 263 P CB 0.979 32.480 31.700 -0.331 0.000 0.906 264 S N 1.791 117.406 115.700 -0.142 0.000 2.671 264 S HA 0.720 5.190 4.470 -0.000 0.000 0.299 264 S C -0.409 174.109 174.600 -0.136 0.000 1.116 264 S CA -0.670 57.453 58.200 -0.130 0.000 0.912 264 S CB 1.129 64.311 63.200 -0.030 0.000 1.130 264 S HN 0.351 nan 8.310 nan 0.000 0.501 265 M N 1.866 121.295 119.600 -0.285 0.000 2.327 265 M HA 0.508 4.988 4.480 -0.000 0.000 0.298 265 M C -1.888 174.209 176.300 -0.338 0.000 1.065 265 M CA -0.094 55.032 55.300 -0.291 0.000 0.916 265 M CB 1.604 33.831 32.600 -0.621 0.000 1.630 265 M HN 0.508 nan 8.290 nan 0.000 0.442 266 F N 2.827 122.865 119.950 0.147 0.000 2.496 266 F HA 0.486 5.012 4.527 -0.000 0.000 0.341 266 F C 0.018 176.016 175.800 0.330 0.000 1.134 266 F CA -0.745 57.360 58.000 0.176 0.000 0.968 266 F CB 1.736 40.794 39.000 0.097 0.000 1.205 266 F HN 0.511 nan 8.300 nan 0.000 0.436 267 M N 2.793 122.639 119.600 0.410 0.000 2.249 267 M HA 0.154 4.633 4.480 -0.000 0.000 0.340 267 M C 0.955 177.373 176.300 0.196 0.000 1.166 267 M CA 1.000 56.474 55.300 0.289 0.000 1.115 267 M CB 0.593 33.311 32.600 0.196 0.000 1.606 267 M HN 0.779 nan 8.290 nan 0.000 0.448 268 T N -0.219 114.400 114.554 0.109 0.000 2.992 268 T HA 0.347 4.697 4.350 -0.000 0.000 0.255 268 T C 0.078 174.817 174.700 0.066 0.000 0.938 268 T CA -0.405 61.752 62.100 0.096 0.000 0.895 268 T CB 0.040 68.968 68.868 0.099 0.000 1.221 268 T HN 0.600 nan 8.240 nan 0.000 0.512 269 N N 0.585 119.311 118.700 0.044 0.000 2.425 269 N HA 0.525 5.265 4.740 -0.000 0.000 0.289 269 N C -2.030 173.519 175.510 0.066 0.000 1.074 269 N CA -0.259 52.823 53.050 0.054 0.000 0.905 269 N CB 2.528 41.038 38.487 0.038 0.000 1.586 269 N HN 0.116 nan 8.380 nan 0.000 0.490 270 V N 3.191 123.161 119.914 0.094 0.000 2.588 270 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 270 V C -0.821 175.382 176.094 0.181 0.000 1.042 270 V CA -0.779 61.590 62.300 0.115 0.000 0.877 270 V CB 1.904 33.770 31.823 0.072 0.000 0.996 270 V HN 0.676 nan 8.190 nan 0.000 0.425 271 W N 3.394 124.699 121.300 0.009 0.000 2.689 271 W HA 0.760 5.420 4.660 -0.000 0.000 0.340 271 W C -0.447 176.077 176.519 0.007 0.000 1.060 271 W CA -0.178 57.174 57.345 0.011 0.000 1.218 271 W CB 2.141 31.614 29.460 0.023 0.000 1.410 271 W HN 0.506 nan 8.180 nan 0.000 0.528 272 T N 6.414 120.459 114.554 -0.848 0.000 3.011 272 T HA 0.329 4.679 4.350 -0.000 0.000 0.303 272 T C -2.606 171.338 174.700 -1.260 0.000 0.997 272 T CA -0.929 60.695 62.100 -0.793 0.000 1.007 272 T CB 1.677 70.321 68.868 -0.372 0.000 1.017 272 T HN 0.137 nan 8.240 nan 0.000 0.443 273 P HA 0.321 nan 4.420 nan 0.000 0.274 273 P C -1.917 175.142 177.300 -0.401 0.000 1.246 273 P CA -1.360 61.273 63.100 -0.778 0.000 0.795 273 P CB 0.240 31.702 31.700 -0.396 0.000 1.006 274 P HA -0.060 nan 4.420 nan 0.000 0.216 274 P C 0.213 177.446 177.300 -0.112 0.000 1.153 274 P CA 1.444 64.446 63.100 -0.164 0.000 0.844 274 P CB 0.113 31.740 31.700 -0.121 0.000 0.787 275 N N -0.594 118.051 118.700 -0.091 0.000 2.446 275 N HA 0.159 4.899 4.740 -0.000 0.000 0.265 275 N C -2.041 173.434 175.510 -0.058 0.000 0.975 275 N CA -2.277 50.742 53.050 -0.051 0.000 0.928 275 N CB 1.409 39.889 38.487 -0.011 0.000 1.160 275 N HN -0.164 nan 8.380 nan 0.000 0.495 276 P HA -0.027 nan 4.420 nan 0.000 0.222 276 P C 0.974 178.264 177.300 -0.017 0.000 1.153 276 P CA 0.832 63.914 63.100 -0.031 0.000 0.798 276 P CB 0.215 31.910 31.700 -0.008 0.000 0.796 277 S N -1.351 114.342 115.700 -0.011 0.000 2.527 277 S HA -0.054 4.416 4.470 -0.000 0.000 0.222 277 S C 1.677 176.207 174.600 -0.117 0.000 0.985 277 S CA 1.184 59.387 58.200 0.006 0.000 0.921 277 S CB -1.672 61.556 63.200 0.047 0.000 0.772 277 S HN 0.295 nan 8.310 nan 0.000 0.529 278 T N -0.660 113.791 114.554 -0.172 0.000 3.057 278 T HA 0.351 4.700 4.350 -0.000 0.000 0.254 278 T C 0.648 175.083 174.700 -0.442 0.000 1.094 278 T CA -0.214 61.709 62.100 -0.295 0.000 1.088 278 T CB -0.325 68.430 68.868 -0.188 0.000 0.934 278 T HN 0.247 nan 8.240 nan 0.000 0.497 279 I N 3.140 123.510 120.570 -0.335 0.000 2.342 279 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 279 I C -0.298 175.662 176.117 -0.262 0.000 1.010 279 I CA -0.368 60.819 61.300 -0.188 0.000 1.308 279 I CB 0.403 38.433 38.000 0.049 0.000 1.400 279 I HN 0.326 nan 8.210 nan 0.000 0.488 280 H N 5.329 124.410 119.070 0.019 0.000 2.851 280 H HA 0.366 4.922 4.556 -0.000 0.000 0.372 280 H C -0.020 175.313 175.328 0.009 0.000 1.158 280 H CA -0.582 55.424 56.048 -0.069 0.000 1.159 280 H CB 1.433 31.132 29.762 -0.104 0.000 1.757 280 H HN 0.514 nan 8.280 nan 0.000 0.546 281 H N -1.024 118.148 119.070 0.170 0.000 2.820 281 H HA -0.167 4.389 4.556 -0.000 0.000 0.295 281 H C -0.002 175.395 175.328 0.115 0.000 1.187 281 H CA 0.565 56.692 56.048 0.133 0.000 1.144 281 H CB -1.826 28.009 29.762 0.122 0.000 1.354 281 H HN 0.464 nan 8.280 nan 0.000 0.395 282 c N 0.953 119.648 118.600 0.158 0.000 2.597 282 c HA 0.262 4.832 4.570 -0.000 0.000 0.412 282 c C 1.421 175.605 174.090 0.156 0.000 1.348 282 c CA 0.537 56.944 56.329 0.130 0.000 1.769 282 c CB 0.586 43.155 42.510 0.098 0.000 2.641 282 c HN 0.618 nan 8.230 nan 0.000 0.612 283 S N 1.519 117.338 115.700 0.198 0.000 2.541 283 S HA 0.672 5.142 4.470 -0.000 0.000 0.280 283 S C -0.765 174.110 174.600 0.458 0.000 1.112 283 S CA -0.374 58.015 58.200 0.314 0.000 0.925 283 S CB 1.294 64.749 63.200 0.424 0.000 1.067 283 S HN 0.815 nan 8.310 nan 0.000 0.479 284 S N 2.240 118.178 115.700 0.396 0.000 2.513 284 S HA 0.794 5.264 4.470 -0.000 0.000 0.299 284 S C -1.144 173.691 174.600 0.392 0.000 1.087 284 S CA -0.657 57.803 58.200 0.433 0.000 1.012 284 S CB 1.881 65.209 63.200 0.212 0.000 1.044 284 S HN 0.725 nan 8.310 nan 0.000 0.485 285 T N 2.476 117.282 114.554 0.420 0.000 2.991 285 T HA 0.321 4.670 4.350 -0.000 0.000 0.303 285 T C -1.455 173.396 174.700 0.252 0.000 1.015 285 T CA -0.511 61.703 62.100 0.190 0.000 1.007 285 T CB 0.816 69.446 68.868 -0.397 0.000 1.034 285 T HN 0.548 nan 8.240 nan 0.000 0.446 286 Y N 4.221 124.420 120.300 -0.169 0.000 2.336 286 Y HA 0.487 5.037 4.550 -0.000 0.000 0.335 286 Y C 0.007 175.860 175.900 -0.078 0.000 1.046 286 Y CA -0.167 57.616 58.100 -0.529 0.000 1.198 286 Y CB 0.382 38.290 38.460 -0.921 0.000 1.182 286 Y HN 0.680 nan 8.280 nan 0.000 0.502 287 H N 4.589 123.234 119.070 -0.708 0.000 2.821 287 H HA 0.280 4.836 4.556 -0.000 0.000 0.373 287 H C -0.799 174.046 175.328 -0.805 0.000 1.165 287 H CA -1.016 54.629 56.048 -0.671 0.000 1.154 287 H CB 1.688 31.319 29.762 -0.219 0.000 1.765 287 H HN 0.675 nan 8.280 nan 0.000 0.549 288 E N 2.408 122.116 120.200 -0.820 0.000 2.558 288 E HA -0.019 4.331 4.350 -0.000 0.000 0.255 288 E C 0.172 176.557 176.600 -0.357 0.000 0.968 288 E CA 0.665 56.739 56.400 -0.543 0.000 0.939 288 E CB 0.085 29.607 29.700 -0.298 0.000 0.921 288 E HN 0.621 nan 8.360 nan 0.000 0.477 289 D N -0.112 120.056 120.400 -0.387 0.000 2.439 289 D HA -0.205 4.434 4.640 -0.000 0.000 0.172 289 D C -0.440 175.269 176.300 -0.985 0.000 1.026 289 D CA 1.388 54.971 54.000 -0.696 0.000 1.043 289 D CB -1.188 39.068 40.800 -0.906 0.000 1.098 289 D HN 0.350 nan 8.370 nan 0.000 0.467 290 F N -0.825 118.970 119.950 -0.259 0.000 2.613 290 F HA 0.569 5.096 4.527 -0.000 0.000 0.314 290 F C -0.478 175.213 175.800 -0.183 0.000 1.075 290 F CA -0.968 56.839 58.000 -0.320 0.000 0.945 290 F CB 1.286 39.925 39.000 -0.600 0.000 1.310 290 F HN -0.279 nan 8.300 nan 0.000 0.467 291 Y N 1.420 121.767 120.300 0.078 0.000 2.356 291 Y HA 0.417 4.967 4.550 -0.000 0.000 0.334 291 Y C -1.073 174.872 175.900 0.075 0.000 0.958 291 Y CA -0.843 57.357 58.100 0.166 0.000 1.196 291 Y CB 0.887 39.424 38.460 0.129 0.000 1.137 291 Y HN 0.440 nan 8.280 nan 0.000 0.485 292 Y N 2.534 123.027 120.300 0.322 0.000 2.404 292 Y HA 0.278 4.828 4.550 -0.000 0.000 0.344 292 Y C 0.765 176.897 175.900 0.386 0.000 0.995 292 Y CA -0.702 57.559 58.100 0.268 0.000 1.201 292 Y CB 0.960 39.608 38.460 0.312 0.000 1.151 292 Y HN 0.449 nan 8.280 nan 0.000 0.517 293 T N 2.735 117.478 114.554 0.316 0.000 2.895 293 T HA 0.583 4.933 4.350 -0.000 0.000 0.283 293 T C -1.227 173.502 174.700 0.047 0.000 1.014 293 T CA -0.860 61.407 62.100 0.278 0.000 1.037 293 T CB 1.309 70.270 68.868 0.156 0.000 1.006 293 T HN 0.443 nan 8.240 nan 0.000 0.468 294 L N 4.032 125.222 121.223 -0.055 0.000 2.319 294 L HA 0.707 5.047 4.340 -0.000 0.000 0.281 294 L C -0.925 175.880 176.870 -0.108 0.000 1.005 294 L CA -0.295 54.358 54.840 -0.312 0.000 0.828 294 L CB 0.341 41.867 42.059 -0.890 0.000 1.227 294 L HN 1.021 nan 8.230 nan 0.000 0.415 295 c N 2.887 121.443 118.600 -0.074 0.000 2.848 295 c HA 0.942 5.512 4.570 -0.000 0.000 0.317 295 c C 0.323 174.444 174.090 0.052 0.000 1.260 295 c CA -0.970 55.377 56.329 0.030 0.000 1.656 295 c CB 1.397 43.948 42.510 0.067 0.000 2.174 295 c HN 0.944 nan 8.230 nan 0.000 0.479 296 A N 0.766 123.657 122.820 0.119 0.000 2.306 296 A HA 0.753 5.072 4.320 -0.000 0.000 0.314 296 A C -0.677 176.996 177.584 0.148 0.000 1.164 296 A CA -0.246 51.898 52.037 0.179 0.000 0.822 296 A CB 0.425 19.510 19.000 0.142 0.000 1.130 296 A HN 0.770 nan 8.150 nan 0.000 0.496 297 V N 1.490 121.530 119.914 0.209 0.000 2.427 297 V HA 0.696 4.816 4.120 -0.000 0.000 0.286 297 V C 0.321 176.540 176.094 0.209 0.000 1.034 297 V CA -0.233 62.122 62.300 0.091 0.000 0.893 297 V CB 1.291 33.148 31.823 0.055 0.000 0.982 297 V HN 0.911 nan 8.190 nan 0.000 0.452 298 S N 1.803 117.490 115.700 -0.022 0.000 2.572 298 S HA 0.503 4.973 4.470 -0.000 0.000 0.274 298 S C -0.334 174.193 174.600 -0.122 0.000 1.150 298 S CA -0.605 57.665 58.200 0.118 0.000 0.944 298 S CB 0.896 64.288 63.200 0.319 0.000 1.071 298 S HN 0.863 nan 8.310 nan 0.000 0.479 299 H N 2.297 121.472 119.070 0.175 0.000 2.517 299 H HA 0.239 4.795 4.556 -0.000 0.000 0.282 299 H C 1.115 176.521 175.328 0.130 0.000 1.023 299 H CA 0.529 56.647 56.048 0.116 0.000 1.169 299 H CB 0.369 30.176 29.762 0.074 0.000 1.454 299 H HN 0.366 nan 8.280 nan 0.000 0.556 300 V N -3.371 116.691 119.914 0.248 0.000 3.159 300 V HA 0.631 4.751 4.120 -0.000 0.000 0.333 300 V C 0.986 177.183 176.094 0.171 0.000 1.424 300 V CA 0.046 62.465 62.300 0.200 0.000 1.125 300 V CB -0.117 31.829 31.823 0.204 0.000 1.075 300 V HN 0.518 nan 8.190 nan 0.000 0.482 301 G N 1.060 109.987 108.800 0.211 0.000 2.632 301 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.224 301 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.224 301 G C -0.451 174.474 174.900 0.042 0.000 1.341 301 G CA 0.110 45.319 45.100 0.183 0.000 0.880 301 G HN 0.709 nan 8.290 nan 0.000 0.566 302 D N 1.310 121.588 120.400 -0.203 0.000 2.451 302 D HA 0.258 4.898 4.640 -0.000 0.000 0.254 302 D C -0.498 175.729 176.300 -0.122 0.000 1.204 302 D CA -1.005 52.831 54.000 -0.274 0.000 0.896 302 D CB 0.958 41.666 40.800 -0.153 0.000 1.136 302 D HN 0.037 nan 8.370 nan 0.000 0.499 303 P HA -0.138 nan 4.420 nan 0.000 0.219 303 P C 1.631 178.867 177.300 -0.106 0.000 1.146 303 P CA 0.492 63.340 63.100 -0.421 0.000 0.808 303 P CB 0.294 31.238 31.700 -1.260 0.000 0.779 304 I N -1.266 119.276 120.570 -0.046 0.000 2.226 304 I HA -0.168 4.001 4.170 -0.000 0.000 0.245 304 I C 2.052 178.180 176.117 0.018 0.000 1.100 304 I CA 1.621 62.921 61.300 -0.000 0.000 1.374 304 I CB -1.267 36.739 38.000 0.010 0.000 1.057 304 I HN 0.029 nan 8.210 nan 0.000 0.413 305 L N -0.213 121.038 121.223 0.046 0.000 2.558 305 L HA 0.038 4.378 4.340 -0.000 0.000 0.225 305 L C 0.586 177.488 176.870 0.053 0.000 1.128 305 L CA 0.405 55.275 54.840 0.049 0.000 0.868 305 L CB -0.274 41.834 42.059 0.083 0.000 1.006 305 L HN 0.214 nan 8.230 nan 0.000 0.454 306 N N -1.040 117.699 118.700 0.064 0.000 2.664 306 N HA 0.113 4.853 4.740 -0.000 0.000 0.287 306 N C 0.638 176.224 175.510 0.127 0.000 1.869 306 N CA 0.026 53.130 53.050 0.089 0.000 0.832 306 N CB 0.627 39.169 38.487 0.091 0.000 1.293 306 N HN -0.174 nan 8.380 nan 0.000 0.498 307 S N -1.091 114.704 115.700 0.159 0.000 2.348 307 S HA -0.157 4.313 4.470 -0.000 0.000 0.221 307 S C 2.039 176.777 174.600 0.231 0.000 1.033 307 S CA 2.134 60.450 58.200 0.194 0.000 1.010 307 S CB -0.318 63.134 63.200 0.421 0.000 0.891 307 S HN 0.716 nan 8.310 nan 0.000 0.442 308 T N 0.518 115.215 114.554 0.238 0.000 2.788 308 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 308 T C 1.874 176.610 174.700 0.060 0.000 1.044 308 T CA 1.657 63.823 62.100 0.111 0.000 1.139 308 T CB -0.545 68.268 68.868 -0.093 0.000 0.867 308 T HN 0.257 nan 8.240 nan 0.000 0.454 309 S N -0.009 115.741 115.700 0.084 0.000 2.414 309 S HA 0.066 4.536 4.470 -0.000 0.000 0.227 309 S C 0.352 175.018 174.600 0.109 0.000 1.022 309 S CA -0.032 58.215 58.200 0.078 0.000 0.958 309 S CB -0.497 62.759 63.200 0.093 0.000 0.797 309 S HN 0.759 nan 8.310 nan 0.000 0.493 310 W N 4.249 125.515 121.300 -0.057 0.000 2.655 310 W HA 0.265 4.925 4.660 -0.000 0.000 0.333 310 W C 0.377 176.825 176.519 -0.117 0.000 1.382 310 W CA -0.350 56.946 57.345 -0.083 0.000 1.398 310 W CB -0.363 29.014 29.460 -0.138 0.000 1.481 310 W HN -0.112 nan 8.180 nan 0.000 0.526 311 T N 6.052 120.326 114.554 -0.467 0.000 2.779 311 T HA -0.002 4.347 4.350 -0.000 0.000 0.296 311 T C 0.146 174.136 174.700 -1.182 0.000 0.938 311 T CA -0.442 61.292 62.100 -0.610 0.000 1.119 311 T CB 0.162 68.848 68.868 -0.304 0.000 0.891 311 T HN 0.535 nan 8.240 nan 0.000 0.526 312 E N 4.033 123.474 120.200 -1.264 0.000 2.491 312 E HA 0.081 4.430 4.350 -0.000 0.000 0.250 312 E C -0.801 175.344 176.600 -0.759 0.000 1.061 312 E CA 0.117 55.585 56.400 -1.554 0.000 0.942 312 E CB 0.125 29.302 29.700 -0.871 0.000 0.957 312 E HN 0.548 nan 8.360 nan 0.000 0.480 313 S N 5.322 120.719 115.700 -0.504 0.000 2.672 313 S HA 0.510 4.979 4.470 -0.000 0.000 0.291 313 S C -0.947 173.713 174.600 0.099 0.000 1.145 313 S CA -0.741 57.393 58.200 -0.111 0.000 1.013 313 S CB 0.521 63.688 63.200 -0.055 0.000 1.017 313 S HN 0.493 nan 8.310 nan 0.000 0.487 314 L N 3.570 124.803 121.223 0.017 0.000 2.341 314 L HA 0.823 5.163 4.340 -0.000 0.000 0.267 314 L C -0.246 176.566 176.870 -0.097 0.000 1.009 314 L CA -0.709 54.132 54.840 0.003 0.000 0.819 314 L CB 2.377 44.416 42.059 -0.033 0.000 1.323 314 L HN 0.782 nan 8.230 nan 0.000 0.425 315 S N 1.763 117.371 115.700 -0.152 0.000 2.596 315 S HA 0.706 5.176 4.470 -0.000 0.000 0.270 315 S C -1.620 172.754 174.600 -0.377 0.000 1.155 315 S CA -0.831 57.175 58.200 -0.323 0.000 0.827 315 S CB 2.319 65.274 63.200 -0.409 0.000 1.130 315 S HN 0.408 nan 8.310 nan 0.000 0.467 316 L N 1.790 122.705 121.223 -0.514 0.000 2.381 316 L HA 0.639 4.978 4.340 -0.000 0.000 0.274 316 L C -1.880 174.709 176.870 -0.468 0.000 0.988 316 L CA -0.863 53.736 54.840 -0.401 0.000 0.824 316 L CB 1.101 42.956 42.059 -0.340 0.000 1.263 316 L HN 0.843 nan 8.230 nan 0.000 0.410 317 I N 5.151 125.489 120.570 -0.387 0.000 2.328 317 I HA 0.415 4.585 4.170 -0.000 0.000 0.287 317 I C 0.414 176.346 176.117 -0.307 0.000 1.012 317 I CA -0.175 60.836 61.300 -0.483 0.000 1.195 317 I CB 1.085 38.624 38.000 -0.768 0.000 1.350 317 I HN 0.424 nan 8.210 nan 0.000 0.464 318 R N 7.262 127.555 120.500 -0.344 0.000 2.198 318 R HA 0.619 4.959 4.340 -0.000 0.000 0.339 318 R C -1.435 174.656 176.300 -0.348 0.000 1.020 318 R CA -0.467 55.372 56.100 -0.436 0.000 0.864 318 R CB 0.548 30.441 30.300 -0.678 0.000 1.105 318 R HN 0.634 nan 8.270 nan 0.000 0.463 319 L N 3.496 124.604 121.223 -0.192 0.000 2.329 319 L HA 0.550 4.890 4.340 -0.000 0.000 0.279 319 L C 0.071 176.962 176.870 0.035 0.000 1.014 319 L CA -1.047 53.752 54.840 -0.068 0.000 0.814 319 L CB 1.944 43.995 42.059 -0.013 0.000 1.257 319 L HN 0.656 nan 8.230 nan 0.000 0.424 320 A N 1.960 124.783 122.820 0.005 0.000 2.366 320 A HA 0.369 4.689 4.320 -0.000 0.000 0.272 320 A C 0.991 178.490 177.584 -0.141 0.000 1.135 320 A CA -0.360 51.584 52.037 -0.155 0.000 0.804 320 A CB 0.912 19.619 19.000 -0.488 0.000 1.064 320 A HN 0.752 nan 8.150 nan 0.000 0.499 321 V N 0.652 120.428 119.914 -0.230 0.000 2.970 321 V HA 0.122 4.241 4.120 -0.000 0.000 0.260 321 V C 0.732 176.755 176.094 -0.119 0.000 1.100 321 V CA 1.085 63.250 62.300 -0.225 0.000 1.122 321 V CB -0.757 30.671 31.823 -0.659 0.000 0.721 321 V HN 0.691 nan 8.190 nan 0.000 0.483 322 R N 1.161 121.601 120.500 -0.100 0.000 2.607 322 R HA 0.436 4.776 4.340 -0.000 0.000 0.278 322 R C -2.925 173.444 176.300 0.114 0.000 1.637 322 R CA -1.696 54.425 56.100 0.034 0.000 1.325 322 R CB 1.390 31.724 30.300 0.057 0.000 1.211 322 R HN 0.313 nan 8.270 nan 0.000 0.565 323 P HA 0.041 nan 4.420 nan 0.000 0.268 323 P C -0.692 176.717 177.300 0.181 0.000 1.205 323 P CA -0.089 63.121 63.100 0.184 0.000 0.771 323 P CB 0.692 32.462 31.700 0.118 0.000 0.858 324 K N 1.189 121.723 120.400 0.223 0.000 2.292 324 K HA 0.413 4.733 4.320 -0.000 0.000 0.257 324 K C -0.151 176.493 176.600 0.073 0.000 0.940 324 K CA -0.484 55.849 56.287 0.076 0.000 0.811 324 K CB 1.042 33.490 32.500 -0.087 0.000 1.120 324 K HN 0.415 nan 8.250 nan 0.000 0.428 325 S N 1.659 117.383 115.700 0.041 0.000 2.585 325 S HA 0.157 4.627 4.470 -0.000 0.000 0.273 325 S C 0.148 174.763 174.600 0.024 0.000 1.339 325 S CA -0.380 57.843 58.200 0.039 0.000 1.028 325 S CB 0.570 63.787 63.200 0.027 0.000 0.906 325 S HN 0.736 nan 8.310 nan 0.000 0.528 326 D N 0.296 120.715 120.400 0.032 0.000 2.723 326 D HA -0.164 4.476 4.640 -0.000 0.000 0.236 326 D C 0.386 176.698 176.300 0.020 0.000 1.138 326 D CA 1.112 55.126 54.000 0.024 0.000 0.676 326 D CB -1.371 39.437 40.800 0.012 0.000 1.069 326 D HN 0.786 nan 8.370 nan 0.000 0.430 327 S N -2.216 113.508 115.700 0.040 0.000 2.561 327 S HA 0.867 5.337 4.470 -0.000 0.000 0.282 327 S C 1.140 175.787 174.600 0.077 0.000 1.123 327 S CA 0.002 58.230 58.200 0.047 0.000 1.011 327 S CB 1.774 65.010 63.200 0.060 0.000 1.244 327 S HN 0.215 nan 8.310 nan 0.000 0.503 328 G N -0.177 108.687 108.800 0.106 0.000 2.667 328 G HA2 0.252 4.212 3.960 -0.000 0.000 0.209 328 G HA3 0.252 4.212 3.960 -0.000 0.000 0.209 328 G C 0.047 175.014 174.900 0.111 0.000 1.963 328 G CA 0.008 45.164 45.100 0.093 0.000 0.728 328 G HN 0.577 nan 8.290 nan 0.000 0.807 329 D N -0.506 119.954 120.400 0.100 0.000 2.310 329 D HA -0.037 4.602 4.640 -0.000 0.000 0.212 329 D C 1.711 178.064 176.300 0.088 0.000 0.965 329 D CA 0.298 54.338 54.000 0.067 0.000 0.879 329 D CB -0.068 40.744 40.800 0.021 0.000 0.921 329 D HN 0.253 nan 8.370 nan 0.000 0.510 330 Y N 2.078 122.415 120.300 0.061 0.000 2.069 330 Y HA -0.338 4.212 4.550 -0.000 0.000 0.278 330 Y C 1.863 177.884 175.900 0.202 0.000 1.175 330 Y CA 1.869 60.068 58.100 0.164 0.000 1.134 330 Y CB -0.255 38.307 38.460 0.169 0.000 0.965 330 Y HN -0.060 nan 8.280 nan 0.000 0.498 331 N N -0.026 118.777 118.700 0.171 0.000 2.062 331 N HA -0.107 4.632 4.740 -0.000 0.000 0.191 331 N C -0.210 175.301 175.510 0.001 0.000 1.042 331 N CA 1.572 54.666 53.050 0.073 0.000 0.845 331 N CB -0.205 38.367 38.487 0.141 0.000 1.024 331 N HN 0.514 nan 8.380 nan 0.000 0.424 332 Q N -0.495 119.315 119.800 0.017 0.000 2.305 332 Q HA 0.449 4.788 4.340 -0.000 0.000 0.271 332 Q C -1.116 174.858 176.000 -0.043 0.000 1.046 332 Q CA -0.503 55.289 55.803 -0.017 0.000 0.798 332 Q CB 3.164 31.964 28.738 0.104 0.000 1.286 332 Q HN -0.035 nan 8.270 nan 0.000 0.435 333 K N 2.203 122.520 120.400 -0.138 0.000 2.507 333 K HA 0.354 4.674 4.320 -0.000 0.000 0.251 333 K C -2.086 174.437 176.600 -0.128 0.000 0.943 333 K CA -0.619 55.603 56.287 -0.108 0.000 0.794 333 K CB 1.601 33.999 32.500 -0.170 0.000 1.188 333 K HN 0.640 nan 8.250 nan 0.000 0.428 334 Y N 5.418 125.621 120.300 -0.162 0.000 2.331 334 Y HA 0.499 5.049 4.550 -0.000 0.000 0.338 334 Y C -1.123 174.708 175.900 -0.115 0.000 0.976 334 Y CA -0.657 57.334 58.100 -0.181 0.000 1.137 334 Y CB 0.782 39.197 38.460 -0.076 0.000 1.172 334 Y HN 0.452 nan 8.280 nan 0.000 0.478 335 I N 6.116 126.342 120.570 -0.573 0.000 2.418 335 I HA 0.516 4.686 4.170 -0.000 0.000 0.287 335 I C -0.457 175.344 176.117 -0.526 0.000 1.008 335 I CA -0.962 60.102 61.300 -0.392 0.000 1.104 335 I CB 1.797 39.634 38.000 -0.270 0.000 1.264 335 I HN 0.764 nan 8.210 nan 0.000 0.438 336 A N 7.694 130.341 122.820 -0.288 0.000 2.354 336 A HA 0.534 4.853 4.320 -0.000 0.000 0.281 336 A C -0.072 177.413 177.584 -0.165 0.000 1.174 336 A CA -0.384 51.539 52.037 -0.191 0.000 0.828 336 A CB 0.039 19.026 19.000 -0.022 0.000 1.099 336 A HN 0.548 nan 8.150 nan 0.000 0.516 337 I N 3.968 124.427 120.570 -0.184 0.000 2.452 337 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 337 I C 1.071 177.121 176.117 -0.112 0.000 1.079 337 I CA 0.489 61.688 61.300 -0.168 0.000 1.387 337 I CB 0.312 38.196 38.000 -0.194 0.000 1.404 337 I HN 0.731 nan 8.210 nan 0.000 0.522 338 T N 5.232 119.731 114.554 -0.091 0.000 3.045 338 T HA 0.078 4.428 4.350 -0.000 0.000 0.239 338 T C 0.833 175.496 174.700 -0.061 0.000 1.008 338 T CA 0.333 62.392 62.100 -0.068 0.000 1.143 338 T CB 0.207 69.045 68.868 -0.050 0.000 0.894 338 T HN 0.412 nan 8.240 nan 0.000 0.451 339 K N 2.549 122.915 120.400 -0.057 0.000 2.273 339 K HA 0.495 4.815 4.320 -0.000 0.000 0.287 339 K C -1.339 175.239 176.600 -0.037 0.000 1.089 339 K CA -0.135 56.130 56.287 -0.037 0.000 0.909 339 K CB 1.116 33.601 32.500 -0.024 0.000 1.123 339 K HN 0.039 nan 8.250 nan 0.000 0.473 340 V N 2.766 122.665 119.914 -0.026 0.000 2.531 340 V HA 0.176 4.296 4.120 -0.000 0.000 0.301 340 V C -0.579 175.529 176.094 0.023 0.000 1.034 340 V CA -0.850 61.445 62.300 -0.008 0.000 0.865 340 V CB 1.690 33.498 31.823 -0.025 0.000 0.995 340 V HN 0.623 nan 8.190 nan 0.000 0.424 341 E N 4.033 124.267 120.200 0.056 0.000 2.073 341 E HA 0.428 4.778 4.350 -0.000 0.000 0.269 341 E C 0.650 177.335 176.600 0.142 0.000 0.917 341 E CA -0.420 56.031 56.400 0.084 0.000 0.757 341 E CB 0.679 30.427 29.700 0.081 0.000 1.111 341 E HN 0.654 nan 8.360 nan 0.000 0.410 342 R N 3.267 123.855 120.500 0.146 0.000 2.543 342 R HA 0.407 4.747 4.340 -0.000 0.000 0.323 342 R C 1.022 177.504 176.300 0.302 0.000 1.002 342 R CA 0.013 56.235 56.100 0.204 0.000 1.106 342 R CB 0.295 30.650 30.300 0.092 0.000 1.280 342 R HN 0.596 nan 8.270 nan 0.000 0.549 343 G N 3.393 112.345 108.800 0.253 0.000 2.596 343 G HA2 -0.469 3.491 3.960 -0.000 0.000 0.304 343 G HA3 -0.469 3.491 3.960 -0.000 0.000 0.304 343 G C 0.455 175.478 174.900 0.205 0.000 1.189 343 G CA 0.741 45.997 45.100 0.259 0.000 0.986 343 G HN 0.453 nan 8.290 nan 0.000 0.548 344 K N 0.006 120.535 120.400 0.215 0.000 2.372 344 K HA 0.393 4.713 4.320 -0.000 0.000 0.200 344 K C -0.076 176.472 176.600 -0.086 0.000 1.022 344 K CA -0.257 56.053 56.287 0.038 0.000 1.125 344 K CB 0.415 32.897 32.500 -0.030 0.000 0.855 344 K HN 0.430 nan 8.250 nan 0.000 0.524 345 Y N 1.967 122.318 120.300 0.085 0.000 2.304 345 Y HA 0.052 4.602 4.550 -0.000 0.000 0.328 345 Y C 1.058 176.968 175.900 0.017 0.000 1.123 345 Y CA -0.457 57.663 58.100 0.032 0.000 1.218 345 Y CB 1.219 39.607 38.460 -0.120 0.000 1.207 345 Y HN -0.037 nan 8.280 nan 0.000 0.495 346 D N 1.400 121.892 120.400 0.152 0.000 2.097 346 D HA -0.054 4.585 4.640 -0.000 0.000 0.197 346 D C -0.133 176.160 176.300 -0.011 0.000 0.984 346 D CA 1.676 55.732 54.000 0.093 0.000 0.826 346 D CB 0.247 41.164 40.800 0.197 0.000 0.973 346 D HN 0.473 nan 8.370 nan 0.000 0.460 347 K N -0.744 119.630 120.400 -0.043 0.000 2.426 347 K HA 0.566 4.886 4.320 -0.000 0.000 0.251 347 K C -1.115 175.507 176.600 0.037 0.000 0.941 347 K CA -0.902 55.318 56.287 -0.112 0.000 0.808 347 K CB 3.480 35.737 32.500 -0.404 0.000 1.265 347 K HN -0.151 nan 8.250 nan 0.000 0.432 348 V N -1.392 118.533 119.914 0.018 0.000 3.040 348 V HA 0.777 4.896 4.120 -0.000 0.000 0.312 348 V C -0.852 175.331 176.094 0.148 0.000 1.115 348 V CA -0.932 61.341 62.300 -0.045 0.000 0.998 348 V CB 2.058 33.708 31.823 -0.289 0.000 1.042 348 V HN 0.911 nan 8.190 nan 0.000 0.433 349 M N 2.851 122.519 119.600 0.112 0.000 2.490 349 M HA 0.549 5.029 4.480 -0.000 0.000 0.286 349 M C -3.158 173.201 176.300 0.098 0.000 1.185 349 M CA -1.437 53.929 55.300 0.110 0.000 0.912 349 M CB 3.106 35.713 32.600 0.012 0.000 1.744 349 M HN 0.646 nan 8.290 nan 0.000 0.494 350 P HA 0.089 nan 4.420 nan 0.000 0.271 350 P C -1.760 175.685 177.300 0.241 0.000 1.216 350 P CA 0.370 63.576 63.100 0.176 0.000 0.776 350 P CB 0.174 31.947 31.700 0.121 0.000 0.881 351 Y N 1.828 122.180 120.300 0.086 0.000 2.517 351 Y HA 0.472 5.022 4.550 -0.000 0.000 0.328 351 Y C -0.144 175.795 175.900 0.065 0.000 1.130 351 Y CA -0.324 57.789 58.100 0.022 0.000 1.280 351 Y CB 0.655 39.077 38.460 -0.063 0.000 1.101 351 Y HN 0.787 nan 8.280 nan 0.000 0.610 352 G N 2.800 111.659 108.800 0.098 0.000 2.339 352 G HA2 0.100 4.060 3.960 -0.000 0.000 0.302 352 G HA3 0.100 4.060 3.960 -0.000 0.000 0.302 352 G C -3.132 171.802 174.900 0.057 0.000 1.425 352 G CA -0.896 44.203 45.100 -0.002 0.000 0.899 352 G HN 0.035 nan 8.290 nan 0.000 0.619 353 P HA 0.152 nan 4.420 nan 0.000 0.222 353 P C 0.710 178.100 177.300 0.149 0.000 1.157 353 P CA 1.301 64.432 63.100 0.053 0.000 0.816 353 P CB 0.385 32.091 31.700 0.010 0.000 0.813 354 S N -2.476 113.334 115.700 0.183 0.000 2.547 354 S HA 0.727 5.196 4.470 -0.000 0.000 0.270 354 S C -0.383 174.334 174.600 0.194 0.000 1.150 354 S CA -0.442 57.886 58.200 0.214 0.000 0.850 354 S CB 1.627 64.966 63.200 0.233 0.000 1.118 354 S HN 0.214 nan 8.310 nan 0.000 0.461 355 G N 0.436 109.311 108.800 0.126 0.000 3.211 355 G HA2 0.843 4.803 3.960 -0.000 0.000 0.262 355 G HA3 0.843 4.803 3.960 -0.000 0.000 0.262 355 G C -0.700 174.252 174.900 0.088 0.000 1.352 355 G CA -0.797 44.345 45.100 0.071 0.000 1.004 355 G HN 1.443 nan 8.290 nan 0.000 0.559 356 I N -2.584 118.038 120.570 0.087 0.000 3.108 356 I HA 0.755 4.925 4.170 -0.000 0.000 0.312 356 I C -0.731 175.456 176.117 0.116 0.000 1.095 356 I CA -1.299 60.075 61.300 0.123 0.000 1.000 356 I CB 2.640 40.721 38.000 0.135 0.000 1.229 356 I HN 0.565 nan 8.210 nan 0.000 0.454 357 K N 2.480 122.954 120.400 0.123 0.000 2.182 357 K HA 0.534 4.853 4.320 -0.000 0.000 0.262 357 K C -1.285 175.403 176.600 0.147 0.000 0.957 357 K CA -0.682 55.682 56.287 0.128 0.000 0.842 357 K CB 1.943 34.518 32.500 0.125 0.000 1.099 357 K HN 0.747 nan 8.250 nan 0.000 0.438 358 Q N 2.388 122.292 119.800 0.172 0.000 2.347 358 Q HA 0.252 4.592 4.340 -0.000 0.000 0.265 358 Q C 0.147 176.210 176.000 0.105 0.000 1.024 358 Q CA -0.300 55.588 55.803 0.141 0.000 0.731 358 Q CB 1.820 30.668 28.738 0.182 0.000 1.245 358 Q HN 1.100 nan 8.270 nan 0.000 0.472 359 G N 3.824 112.675 108.800 0.085 0.000 2.677 359 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.321 359 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.321 359 G C 0.128 175.112 174.900 0.139 0.000 1.181 359 G CA 0.794 45.941 45.100 0.079 0.000 0.965 359 G HN 0.632 nan 8.290 nan 0.000 0.548 360 D N 1.006 121.423 120.400 0.028 0.000 2.501 360 D HA 0.420 5.060 4.640 -0.000 0.000 0.224 360 D C 0.126 176.236 176.300 -0.317 0.000 1.202 360 D CA 0.438 54.352 54.000 -0.144 0.000 0.829 360 D CB 0.703 41.398 40.800 -0.176 0.000 1.023 360 D HN 0.356 nan 8.370 nan 0.000 0.499 361 T N 0.990 115.428 114.554 -0.193 0.000 2.749 361 T HA 0.443 4.792 4.350 -0.000 0.000 0.287 361 T C 0.154 174.667 174.700 -0.312 0.000 0.970 361 T CA -0.481 61.441 62.100 -0.297 0.000 0.980 361 T CB 1.074 69.815 68.868 -0.211 0.000 0.924 361 T HN -0.041 nan 8.240 nan 0.000 0.456 362 L N 3.732 124.710 121.223 -0.408 0.000 2.307 362 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 362 L C -0.955 175.714 176.870 -0.334 0.000 1.051 362 L CA -0.930 53.742 54.840 -0.280 0.000 0.804 362 L CB 0.742 42.686 42.059 -0.193 0.000 1.197 362 L HN 0.647 nan 8.230 nan 0.000 0.431 363 Y N 2.469 122.731 120.300 -0.063 0.000 2.376 363 Y HA 0.421 4.971 4.550 -0.000 0.000 0.326 363 Y C -0.377 175.512 175.900 -0.018 0.000 0.970 363 Y CA -0.464 57.662 58.100 0.044 0.000 1.248 363 Y CB 1.043 39.532 38.460 0.048 0.000 1.117 363 Y HN 0.295 nan 8.280 nan 0.000 0.476 364 F N 5.324 125.424 119.950 0.249 0.000 2.385 364 F HA 0.457 4.984 4.527 -0.000 0.000 0.336 364 F C -1.937 174.010 175.800 0.245 0.000 1.100 364 F CA -2.527 55.611 58.000 0.229 0.000 1.116 364 F CB 0.938 40.049 39.000 0.184 0.000 1.166 364 F HN 0.276 nan 8.300 nan 0.000 0.511 365 P HA 0.317 nan 4.420 nan 0.000 0.271 365 P C -1.065 176.448 177.300 0.355 0.000 1.216 365 P CA 0.072 63.375 63.100 0.339 0.000 0.776 365 P CB 1.422 33.253 31.700 0.218 0.000 0.881 366 A N 2.216 125.251 122.820 0.358 0.000 2.557 366 A HA 0.730 5.050 4.320 -0.000 0.000 0.292 366 A C -1.521 176.288 177.584 0.375 0.000 1.139 366 A CA -0.596 51.660 52.037 0.364 0.000 0.665 366 A CB 1.621 20.864 19.000 0.405 0.000 1.285 366 A HN 0.435 nan 8.150 nan 0.000 0.433 367 V N -0.593 119.479 119.914 0.264 0.000 2.932 367 V HA 0.789 4.909 4.120 -0.000 0.000 0.307 367 V C -0.027 175.927 176.094 -0.233 0.000 1.147 367 V CA 0.406 62.749 62.300 0.072 0.000 0.951 367 V CB 2.031 33.742 31.823 -0.187 0.000 1.031 367 V HN 1.871 nan 8.190 nan 0.000 0.426 368 G N 4.153 112.680 108.800 -0.456 0.000 2.388 368 G HA2 0.652 4.611 3.960 -0.000 0.000 0.330 368 G HA3 0.652 4.611 3.960 -0.000 0.000 0.330 368 G C -1.200 173.578 174.900 -0.204 0.000 1.142 368 G CA -0.535 44.112 45.100 -0.755 0.000 0.908 368 G HN 0.585 nan 8.290 nan 0.000 0.473 369 F N 1.292 121.169 119.950 -0.122 0.000 2.391 369 F HA 0.445 4.972 4.527 -0.000 0.000 0.359 369 F C 0.116 175.990 175.800 0.124 0.000 1.122 369 F CA -0.791 57.135 58.000 -0.124 0.000 1.120 369 F CB 1.854 40.503 39.000 -0.585 0.000 1.142 369 F HN 0.223 nan 8.300 nan 0.000 0.483 370 L N 7.084 128.531 121.223 0.374 0.000 2.362 370 L HA 0.659 4.999 4.340 -0.000 0.000 0.275 370 L C -2.643 174.436 176.870 0.348 0.000 0.998 370 L CA -2.628 52.367 54.840 0.259 0.000 0.820 370 L CB 1.607 43.680 42.059 0.023 0.000 1.270 370 L HN 0.180 nan 8.230 nan 0.000 0.415 371 P HA 0.176 nan 4.420 nan 0.000 0.265 371 P C 0.143 177.454 177.300 0.019 0.000 1.193 371 P CA 0.032 63.184 63.100 0.086 0.000 0.765 371 P CB 0.535 32.251 31.700 0.027 0.000 0.823 372 R N 1.467 121.915 120.500 -0.086 0.000 2.103 372 R HA -0.156 4.183 4.340 -0.000 0.000 0.242 372 R C 1.982 178.315 176.300 0.055 0.000 1.142 372 R CA 2.410 58.499 56.100 -0.019 0.000 0.960 372 R CB -1.119 29.128 30.300 -0.088 0.000 0.858 372 R HN 0.638 nan 8.270 nan 0.000 0.439 373 T N -1.640 112.896 114.554 -0.030 0.000 2.867 373 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 373 T C 1.450 176.171 174.700 0.035 0.000 1.057 373 T CA 1.107 63.203 62.100 -0.007 0.000 1.136 373 T CB -0.058 68.778 68.868 -0.053 0.000 0.874 373 T HN 0.368 nan 8.240 nan 0.000 0.466 374 E N 0.040 120.271 120.200 0.052 0.000 2.478 374 E HA 0.182 4.532 4.350 -0.000 0.000 0.194 374 E C -0.188 176.478 176.600 0.110 0.000 1.045 374 E CA -0.404 56.030 56.400 0.057 0.000 0.868 374 E CB -0.012 29.710 29.700 0.036 0.000 0.885 374 E HN 0.518 nan 8.360 nan 0.000 0.505 375 F N 2.777 122.725 119.950 -0.004 0.000 2.487 375 F HA 0.082 4.609 4.527 -0.000 0.000 0.364 375 F C 0.141 175.983 175.800 0.070 0.000 1.126 375 F CA -0.533 57.484 58.000 0.029 0.000 1.135 375 F CB 0.307 39.327 39.000 0.033 0.000 1.127 375 F HN -0.245 nan 8.300 nan 0.000 0.559 376 Q N 6.014 125.612 119.800 -0.336 0.000 2.323 376 Q HA 0.279 4.619 4.340 -0.000 0.000 0.257 376 Q C -1.710 174.001 176.000 -0.483 0.000 1.022 376 Q CA 0.341 55.962 55.803 -0.304 0.000 0.919 376 Q CB 0.349 28.997 28.738 -0.151 0.000 1.220 376 Q HN 0.678 nan 8.270 nan 0.000 0.427 377 Y N 2.371 122.379 120.300 -0.487 0.000 2.424 377 Y HA 0.344 4.894 4.550 -0.000 0.000 0.323 377 Y C -1.293 174.514 175.900 -0.155 0.000 1.174 377 Y CA -0.923 56.949 58.100 -0.380 0.000 1.060 377 Y CB 1.474 39.614 38.460 -0.533 0.000 1.314 377 Y HN 0.522 nan 8.280 nan 0.000 0.439 378 N N 4.980 123.389 118.700 -0.484 0.000 2.419 378 N HA 0.087 4.827 4.740 -0.000 0.000 0.264 378 N C -0.232 175.150 175.510 -0.214 0.000 1.031 378 N CA -0.084 52.804 53.050 -0.270 0.000 0.951 378 N CB 1.532 39.869 38.487 -0.250 0.000 1.101 378 N HN 0.791 nan 8.380 nan 0.000 0.488 379 D N 0.417 120.853 120.400 0.059 0.000 2.309 379 D HA -0.113 4.527 4.640 -0.000 0.000 0.212 379 D C 1.521 177.857 176.300 0.060 0.000 0.968 379 D CA 1.041 55.135 54.000 0.157 0.000 0.882 379 D CB 0.136 41.007 40.800 0.119 0.000 0.918 379 D HN 0.508 nan 8.370 nan 0.000 0.503 380 S N 0.203 115.891 115.700 -0.020 0.000 2.447 380 S HA -0.087 4.383 4.470 -0.000 0.000 0.233 380 S C 1.483 176.059 174.600 -0.039 0.000 1.006 380 S CA 0.457 58.637 58.200 -0.033 0.000 0.957 380 S CB -0.134 63.037 63.200 -0.048 0.000 0.773 380 S HN 0.167 nan 8.310 nan 0.000 0.507 381 N N 0.761 119.413 118.700 -0.080 0.000 2.521 381 N HA 0.085 4.824 4.740 -0.000 0.000 0.188 381 N C -0.108 175.448 175.510 0.077 0.000 1.146 381 N CA 0.133 53.150 53.050 -0.055 0.000 0.893 381 N CB -0.367 38.006 38.487 -0.190 0.000 0.975 381 N HN 0.412 nan 8.380 nan 0.000 0.451 382 c N 4.137 122.806 118.600 0.115 0.000 2.442 382 c HA 0.244 4.814 4.570 -0.000 0.000 0.362 382 c C -1.964 172.127 174.090 0.001 0.000 1.242 382 c CA -1.670 54.732 56.329 0.122 0.000 1.741 382 c CB -0.159 42.417 42.510 0.110 0.000 2.378 382 c HN 0.212 nan 8.230 nan 0.000 0.549 383 P HA 0.131 nan 4.420 nan 0.000 0.260 383 P C 0.284 177.513 177.300 -0.119 0.000 1.651 383 P CA 0.424 63.508 63.100 -0.026 0.000 1.139 383 P CB -0.326 31.424 31.700 0.083 0.000 1.756 384 I N -0.920 119.568 120.570 -0.137 0.000 3.974 384 I HA 0.142 4.312 4.170 -0.000 0.000 0.334 384 I C 0.754 176.768 176.117 -0.171 0.000 1.437 384 I CA -0.297 60.910 61.300 -0.154 0.000 1.113 384 I CB -0.021 37.897 38.000 -0.137 0.000 1.063 384 I HN -0.109 nan 8.210 nan 0.000 0.400 385 I N 1.361 121.773 120.570 -0.263 0.000 2.761 385 I HA -0.071 4.099 4.170 -0.000 0.000 0.261 385 I C 1.196 177.019 176.117 -0.491 0.000 1.198 385 I CA 1.158 62.214 61.300 -0.406 0.000 1.482 385 I CB -1.915 35.760 38.000 -0.542 0.000 1.100 385 I HN 0.428 nan 8.210 nan 0.000 0.445 386 H N -0.870 118.172 119.070 -0.046 0.000 2.469 386 H HA 0.366 4.922 4.556 -0.000 0.000 0.286 386 H C -0.295 174.995 175.328 -0.064 0.000 1.106 386 H CA -0.261 55.758 56.048 -0.047 0.000 1.055 386 H CB 0.121 29.867 29.762 -0.027 0.000 1.618 386 H HN 0.087 nan 8.280 nan 0.000 0.559 387 c N 1.308 119.885 118.600 -0.039 0.000 2.534 387 c HA 0.175 4.745 4.570 -0.000 0.000 0.309 387 c C 1.470 175.476 174.090 -0.140 0.000 1.072 387 c CA -0.983 55.306 56.329 -0.067 0.000 1.441 387 c CB 0.808 43.281 42.510 -0.061 0.000 1.906 387 c HN 0.646 nan 8.230 nan 0.000 0.429 388 K N 1.076 121.326 120.400 -0.251 0.000 2.113 388 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 388 K C 0.074 176.412 176.600 -0.437 0.000 1.047 388 K CA 1.782 57.794 56.287 -0.459 0.000 0.928 388 K CB -0.009 31.990 32.500 -0.836 0.000 0.716 388 K HN 0.703 nan 8.250 nan 0.000 0.446 389 Y N 0.104 120.391 120.300 -0.021 0.000 2.774 389 Y HA 0.286 4.836 4.550 -0.000 0.000 0.305 389 Y C -0.200 175.676 175.900 -0.040 0.000 1.067 389 Y CA -0.539 57.546 58.100 -0.024 0.000 1.304 389 Y CB 0.600 39.052 38.460 -0.013 0.000 1.209 389 Y HN -0.228 nan 8.280 nan 0.000 0.543 390 S N 0.775 116.492 115.700 0.030 0.000 2.503 390 S HA 0.556 5.026 4.470 -0.000 0.000 0.301 390 S C -0.290 174.284 174.600 -0.043 0.000 1.087 390 S CA -1.011 57.169 58.200 -0.033 0.000 1.042 390 S CB 1.657 64.792 63.200 -0.108 0.000 1.043 390 S HN 0.172 nan 8.310 nan 0.000 0.489 391 K N 1.013 121.385 120.400 -0.047 0.000 2.156 391 K HA 0.572 4.892 4.320 -0.000 0.000 0.250 391 K C 0.948 177.518 176.600 -0.049 0.000 0.955 391 K CA -0.748 55.518 56.287 -0.035 0.000 0.855 391 K CB 1.297 33.790 32.500 -0.013 0.000 1.101 391 K HN 0.583 nan 8.250 nan 0.000 0.434 392 A N 1.941 124.744 122.820 -0.027 0.000 1.978 392 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 392 A C 1.890 179.489 177.584 0.024 0.000 1.170 392 A CA 1.910 53.943 52.037 -0.007 0.000 0.636 392 A CB -0.648 18.356 19.000 0.007 0.000 0.810 392 A HN 0.934 nan 8.150 nan 0.000 0.448 393 E N -0.210 120.002 120.200 0.019 0.000 2.268 393 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 393 E C 1.333 177.943 176.600 0.015 0.000 0.995 393 E CA 1.146 57.566 56.400 0.034 0.000 0.836 393 E CB -0.432 29.283 29.700 0.025 0.000 0.763 393 E HN 0.486 nan 8.360 nan 0.000 0.491 394 N N 1.099 119.784 118.700 -0.025 0.000 2.104 394 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 394 N C 1.722 177.215 175.510 -0.028 0.000 1.024 394 N CA 1.478 54.498 53.050 -0.050 0.000 0.853 394 N CB -0.791 37.620 38.487 -0.126 0.000 1.008 394 N HN 0.307 nan 8.380 nan 0.000 0.424 395 c N 0.648 119.230 118.600 -0.031 0.000 2.413 395 c HA -0.084 4.486 4.570 -0.000 0.000 0.276 395 c C 2.744 176.831 174.090 -0.005 0.000 1.236 395 c CA 0.531 56.920 56.329 0.100 0.000 1.735 395 c CB -0.964 41.654 42.510 0.181 0.000 2.031 395 c HN 0.504 nan 8.230 nan 0.000 0.474 396 R N 0.692 121.124 120.500 -0.114 0.000 2.070 396 R HA -0.104 4.236 4.340 -0.000 0.000 0.233 396 R C 2.150 178.425 176.300 -0.041 0.000 1.137 396 R CA 1.575 57.602 56.100 -0.123 0.000 0.945 396 R CB -0.453 29.849 30.300 0.003 0.000 0.845 396 R HN 0.490 nan 8.270 nan 0.000 0.430 397 L N 0.910 122.131 121.223 -0.003 0.000 2.079 397 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 397 L C 2.309 179.182 176.870 0.006 0.000 1.081 397 L CA 1.734 56.574 54.840 0.001 0.000 0.752 397 L CB -0.450 41.618 42.059 0.015 0.000 0.896 397 L HN 0.400 nan 8.230 nan 0.000 0.433 398 S N -1.698 114.035 115.700 0.055 0.000 2.650 398 S HA 0.028 4.498 4.470 -0.000 0.000 0.219 398 S C 1.602 176.243 174.600 0.068 0.000 0.960 398 S CA 0.057 58.326 58.200 0.115 0.000 0.925 398 S CB 0.030 63.389 63.200 0.266 0.000 0.775 398 S HN 0.245 nan 8.310 nan 0.000 0.525 399 M N 1.677 121.251 119.600 -0.044 0.000 2.595 399 M HA 0.278 4.758 4.480 -0.000 0.000 0.248 399 M C 1.078 177.265 176.300 -0.187 0.000 1.119 399 M CA 0.115 55.328 55.300 -0.145 0.000 1.079 399 M CB -0.750 31.639 32.600 -0.352 0.000 1.472 399 M HN 0.514 nan 8.290 nan 0.000 0.501 400 G N -1.079 107.628 108.800 -0.155 0.000 2.537 400 G HA2 0.444 4.403 3.960 -0.000 0.000 0.323 400 G HA3 0.444 4.403 3.960 -0.000 0.000 0.323 400 G C 0.637 175.378 174.900 -0.265 0.000 1.207 400 G CA -0.637 44.347 45.100 -0.194 0.000 0.976 400 G HN -0.066 nan 8.290 nan 0.000 0.487 401 V N 0.522 120.158 119.914 -0.464 0.000 2.626 401 V HA -0.029 4.091 4.120 -0.000 0.000 0.252 401 V C 1.020 176.910 176.094 -0.340 0.000 1.067 401 V CA 2.178 63.961 62.300 -0.863 0.000 1.081 401 V CB -1.015 30.095 31.823 -1.189 0.000 0.686 401 V HN 0.871 nan 8.190 nan 0.000 0.468 402 N N -2.996 115.600 118.700 -0.174 0.000 2.647 402 N HA 0.157 4.897 4.740 -0.000 0.000 0.266 402 N C 0.686 176.176 175.510 -0.034 0.000 1.373 402 N CA 0.014 53.038 53.050 -0.043 0.000 0.807 402 N CB 1.153 39.633 38.487 -0.012 0.000 1.513 402 N HN -0.121 nan 8.380 nan 0.000 0.505 403 S N -0.467 115.232 115.700 -0.002 0.000 2.442 403 S HA -0.112 4.358 4.470 -0.000 0.000 0.236 403 S C 0.914 175.505 174.600 -0.015 0.000 1.007 403 S CA 0.914 59.112 58.200 -0.003 0.000 0.965 403 S CB -0.352 62.855 63.200 0.012 0.000 0.773 403 S HN 0.630 nan 8.310 nan 0.000 0.504 404 K N 1.686 122.076 120.400 -0.017 0.000 2.387 404 K HA 0.206 4.526 4.320 -0.000 0.000 0.203 404 K C 0.089 176.672 176.600 -0.029 0.000 1.030 404 K CA 0.114 56.389 56.287 -0.020 0.000 1.099 404 K CB 0.654 33.149 32.500 -0.009 0.000 0.863 404 K HN 0.561 nan 8.250 nan 0.000 0.529 405 S N 0.032 115.711 115.700 -0.034 0.000 2.563 405 S HA -0.065 4.405 4.470 -0.000 0.000 0.284 405 S C 1.092 175.677 174.600 -0.025 0.000 1.331 405 S CA -0.359 57.830 58.200 -0.019 0.000 1.047 405 S CB 0.794 63.969 63.200 -0.043 0.000 0.859 405 S HN 0.260 nan 8.310 nan 0.000 0.514 406 H N 2.101 121.107 119.070 -0.108 0.000 2.270 406 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 406 H C -0.256 174.916 175.328 -0.261 0.000 1.077 406 H CA 1.578 57.483 56.048 -0.239 0.000 1.294 406 H CB -0.163 29.353 29.762 -0.409 0.000 1.371 406 H HN 0.755 nan 8.280 nan 0.000 0.491 407 Y N 0.117 120.529 120.300 0.187 0.000 2.376 407 Y HA 0.235 4.785 4.550 -0.000 0.000 0.325 407 Y C 0.550 176.422 175.900 -0.046 0.000 1.199 407 Y CA -1.071 57.102 58.100 0.122 0.000 1.206 407 Y CB 0.782 39.399 38.460 0.263 0.000 1.229 407 Y HN 0.079 nan 8.280 nan 0.000 0.480 408 I N 0.267 120.868 120.570 0.052 0.000 2.566 408 I HA 0.566 4.736 4.170 -0.000 0.000 0.303 408 I C -1.259 174.774 176.117 -0.140 0.000 0.983 408 I CA -0.788 60.407 61.300 -0.174 0.000 1.235 408 I CB 0.969 38.648 38.000 -0.534 0.000 1.386 408 I HN 0.371 nan 8.210 nan 0.000 0.494 409 L N 4.331 125.423 121.223 -0.220 0.000 2.317 409 L HA 0.686 5.026 4.340 -0.000 0.000 0.281 409 L C -0.241 176.568 176.870 -0.102 0.000 1.024 409 L CA -0.737 53.950 54.840 -0.254 0.000 0.810 409 L CB 1.547 43.403 42.059 -0.339 0.000 1.240 409 L HN 0.677 nan 8.230 nan 0.000 0.427 410 R N 1.464 121.949 120.500 -0.024 0.000 2.502 410 R HA 0.409 4.749 4.340 -0.000 0.000 0.300 410 R C -0.758 175.618 176.300 0.127 0.000 0.984 410 R CA -0.187 55.978 56.100 0.108 0.000 0.882 410 R CB 1.893 32.362 30.300 0.280 0.000 1.180 410 R HN 0.630 nan 8.270 nan 0.000 0.444 411 S N 1.280 117.074 115.700 0.158 0.000 2.589 411 S HA 0.746 5.216 4.470 -0.000 0.000 0.265 411 S C 0.036 174.751 174.600 0.192 0.000 1.342 411 S CA 0.655 58.985 58.200 0.216 0.000 1.005 411 S CB 1.206 64.554 63.200 0.247 0.000 0.909 411 S HN 0.824 nan 8.310 nan 0.000 0.555 412 G N 0.055 108.980 108.800 0.209 0.000 2.341 412 G HA2 0.443 4.403 3.960 -0.000 0.000 0.299 412 G HA3 0.443 4.403 3.960 -0.000 0.000 0.299 412 G C -2.130 172.824 174.900 0.090 0.000 1.274 412 G CA -0.874 44.209 45.100 -0.027 0.000 0.853 412 G HN 0.605 nan 8.290 nan 0.000 0.493 413 L N 0.022 121.199 121.223 -0.077 0.000 2.342 413 L HA 0.649 4.989 4.340 -0.000 0.000 0.271 413 L C -0.548 176.404 176.870 0.136 0.000 1.008 413 L CA -0.848 54.075 54.840 0.140 0.000 0.818 413 L CB 2.129 44.311 42.059 0.205 0.000 1.296 413 L HN 0.308 nan 8.230 nan 0.000 0.427 414 L N 3.265 124.673 121.223 0.308 0.000 2.272 414 L HA 0.427 4.766 4.340 -0.000 0.000 0.289 414 L C -0.042 176.995 176.870 0.278 0.000 1.032 414 L CA -0.298 54.717 54.840 0.292 0.000 0.810 414 L CB 1.454 43.673 42.059 0.266 0.000 1.205 414 L HN 0.499 nan 8.230 nan 0.000 0.422 415 K N 4.132 124.624 120.400 0.152 0.000 2.156 415 K HA 0.284 4.604 4.320 -0.000 0.000 0.271 415 K C -1.704 174.920 176.600 0.041 0.000 0.995 415 K CA -0.427 55.826 56.287 -0.056 0.000 0.890 415 K CB 1.194 33.650 32.500 -0.074 0.000 1.073 415 K HN 0.596 nan 8.250 nan 0.000 0.454 416 Y N 4.527 124.702 120.300 -0.207 0.000 2.373 416 Y HA 0.193 4.743 4.550 -0.000 0.000 0.327 416 Y C -1.092 174.670 175.900 -0.231 0.000 1.036 416 Y CA -1.150 56.861 58.100 -0.150 0.000 1.265 416 Y CB 0.977 39.407 38.460 -0.050 0.000 1.108 416 Y HN 0.596 nan 8.280 nan 0.000 0.471 417 N N 6.356 124.890 118.700 -0.277 0.000 2.420 417 N HA 0.170 4.910 4.740 -0.000 0.000 0.249 417 N C 0.301 175.511 175.510 -0.500 0.000 1.033 417 N CA 0.038 52.870 53.050 -0.363 0.000 0.944 417 N CB 1.044 39.424 38.487 -0.179 0.000 1.113 417 N HN 0.955 nan 8.380 nan 0.000 0.502 418 L N 1.809 122.648 121.223 -0.640 0.000 2.291 418 L HA -0.046 4.293 4.340 -0.000 0.000 0.214 418 L C 1.927 178.614 176.870 -0.304 0.000 1.120 418 L CA 0.422 54.907 54.840 -0.591 0.000 0.799 418 L CB -0.128 41.521 42.059 -0.683 0.000 0.925 418 L HN 0.460 nan 8.230 nan 0.000 0.446 419 S N -0.091 115.471 115.700 -0.229 0.000 2.400 419 S HA -0.029 4.441 4.470 -0.000 0.000 0.232 419 S C 0.834 175.379 174.600 -0.091 0.000 1.025 419 S CA 0.668 58.791 58.200 -0.128 0.000 0.993 419 S CB -0.115 63.028 63.200 -0.095 0.000 0.808 419 S HN 0.104 nan 8.310 nan 0.000 0.478 420 L N 2.093 123.259 121.223 -0.094 0.000 2.265 420 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 420 L C 0.907 177.752 176.870 -0.040 0.000 1.058 420 L CA 0.029 54.838 54.840 -0.052 0.000 0.809 420 L CB -0.256 41.783 42.059 -0.033 0.000 1.179 420 L HN 0.063 nan 8.230 nan 0.000 0.429 421 G N 1.522 110.308 108.800 -0.024 0.000 2.477 421 G HA2 0.496 4.456 3.960 -0.000 0.000 0.304 421 G HA3 0.496 4.456 3.960 -0.000 0.000 0.304 421 G C 0.624 175.524 174.900 0.000 0.000 1.175 421 G CA 0.023 45.119 45.100 -0.006 0.000 0.907 421 G HN 0.742 nan 8.290 nan 0.000 0.509 422 G N -0.865 107.938 108.800 0.005 0.000 2.944 422 G HA2 0.185 4.145 3.960 -0.000 0.000 0.220 422 G HA3 0.185 4.145 3.960 -0.000 0.000 0.220 422 G C 0.312 175.221 174.900 0.015 0.000 1.100 422 G CA 0.362 45.468 45.100 0.010 0.000 0.780 422 G HN 0.818 nan 8.290 nan 0.000 0.539 423 D N -0.328 120.079 120.400 0.012 0.000 2.399 423 D HA 0.153 4.793 4.640 -0.000 0.000 0.241 423 D C 0.032 176.349 176.300 0.029 0.000 1.133 423 D CA -0.422 53.583 54.000 0.010 0.000 0.890 423 D CB 1.432 42.235 40.800 0.005 0.000 1.201 423 D HN 0.047 nan 8.370 nan 0.000 0.432 424 I N 2.863 123.434 120.570 0.002 0.000 2.361 424 I HA 0.267 4.437 4.170 -0.000 0.000 0.282 424 I C -0.822 175.266 176.117 -0.049 0.000 1.075 424 I CA -0.837 60.458 61.300 -0.008 0.000 1.205 424 I CB 0.038 37.967 38.000 -0.119 0.000 1.406 424 I HN 0.501 nan 8.210 nan 0.000 0.481 425 I N 7.756 128.342 120.570 0.027 0.000 2.321 425 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 425 I C -1.046 175.092 176.117 0.034 0.000 0.998 425 I CA -0.579 60.730 61.300 0.015 0.000 1.227 425 I CB 0.695 38.714 38.000 0.032 0.000 1.368 425 I HN 0.438 nan 8.210 nan 0.000 0.466 426 L N 7.373 128.587 121.223 -0.015 0.000 2.309 426 L HA 0.482 4.822 4.340 -0.000 0.000 0.282 426 L C -0.320 176.590 176.870 0.067 0.000 1.036 426 L CA -0.521 54.328 54.840 0.015 0.000 0.806 426 L CB 1.505 43.538 42.059 -0.043 0.000 1.220 426 L HN 0.610 nan 8.230 nan 0.000 0.429 427 Q N 2.505 122.364 119.800 0.099 0.000 2.331 427 Q HA 0.361 4.701 4.340 -0.000 0.000 0.267 427 Q C -1.471 174.641 176.000 0.187 0.000 1.006 427 Q CA -0.730 55.152 55.803 0.130 0.000 0.818 427 Q CB 2.211 31.007 28.738 0.097 0.000 1.276 427 Q HN 0.491 nan 8.270 nan 0.000 0.450 428 F N 4.750 124.741 119.950 0.069 0.000 2.396 428 F HA 0.496 5.022 4.527 -0.000 0.000 0.343 428 F C -0.960 174.881 175.800 0.068 0.000 1.104 428 F CA -0.363 57.674 58.000 0.061 0.000 1.161 428 F CB 0.598 39.611 39.000 0.022 0.000 1.146 428 F HN 0.453 nan 8.300 nan 0.000 0.522 429 I N 5.935 126.031 120.570 -0.791 0.000 2.439 429 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 429 I C -0.724 174.833 176.117 -0.933 0.000 1.021 429 I CA -0.780 60.177 61.300 -0.573 0.000 1.091 429 I CB 1.700 39.565 38.000 -0.226 0.000 1.242 429 I HN 0.614 nan 8.210 nan 0.000 0.439 430 E N 7.123 126.970 120.200 -0.588 0.000 2.354 430 E HA 0.314 4.663 4.350 -0.000 0.000 0.269 430 E C -0.311 176.189 176.600 -0.167 0.000 1.036 430 E CA -0.593 55.617 56.400 -0.316 0.000 0.876 430 E CB 2.117 31.890 29.700 0.122 0.000 1.009 430 E HN 0.563 nan 8.360 nan 0.000 0.416 431 I N 2.215 122.722 120.570 -0.106 0.000 2.836 431 I HA 0.135 4.304 4.170 -0.000 0.000 0.285 431 I C 0.259 176.370 176.117 -0.010 0.000 1.174 431 I CA -0.099 61.142 61.300 -0.098 0.000 1.405 431 I CB 0.574 38.535 38.000 -0.065 0.000 1.385 431 I HN 0.830 nan 8.210 nan 0.000 0.594 432 A N 4.664 127.458 122.820 -0.044 0.000 2.406 432 A HA 0.059 4.379 4.320 -0.000 0.000 0.243 432 A C 0.597 178.240 177.584 0.097 0.000 1.082 432 A CA 0.114 52.158 52.037 0.012 0.000 0.786 432 A CB 0.075 19.050 19.000 -0.041 0.000 1.029 432 A HN 0.840 nan 8.150 nan 0.000 0.495 433 D N 0.531 121.002 120.400 0.118 0.000 2.319 433 D HA -0.074 4.566 4.640 -0.000 0.000 0.230 433 D C -0.199 176.206 176.300 0.174 0.000 1.094 433 D CA -0.235 53.868 54.000 0.171 0.000 0.856 433 D CB -0.519 40.380 40.800 0.165 0.000 0.915 433 D HN 0.462 nan 8.370 nan 0.000 0.517 434 N N 1.501 120.303 118.700 0.168 0.000 2.431 434 N HA -0.029 4.710 4.740 -0.000 0.000 0.265 434 N C 0.271 175.966 175.510 0.308 0.000 1.184 434 N CA -0.216 52.955 53.050 0.201 0.000 0.943 434 N CB 0.781 39.361 38.487 0.154 0.000 1.080 434 N HN 0.209 nan 8.380 nan 0.000 0.477 435 R N -0.227 120.392 120.500 0.199 0.000 3.422 435 R HA -0.200 4.140 4.340 -0.000 0.000 0.267 435 R C -0.840 175.466 176.300 0.009 0.000 1.074 435 R CA 0.045 56.186 56.100 0.069 0.000 0.718 435 R CB -1.427 28.833 30.300 -0.068 0.000 1.157 435 R HN 0.669 nan 8.270 nan 0.000 0.440 436 L N 0.219 121.522 121.223 0.132 0.000 2.483 436 L HA 0.318 4.658 4.340 -0.000 0.000 0.276 436 L C 0.094 176.984 176.870 0.033 0.000 1.213 436 L CA 1.372 56.295 54.840 0.138 0.000 0.843 436 L CB 1.320 43.537 42.059 0.263 0.000 1.107 436 L HN 0.276 nan 8.230 nan 0.000 0.487 437 T N 4.461 119.009 114.554 -0.009 0.000 2.885 437 T HA 0.313 4.663 4.350 -0.000 0.000 0.322 437 T C -0.674 174.011 174.700 -0.024 0.000 1.387 437 T CA -0.649 61.389 62.100 -0.104 0.000 1.041 437 T CB 1.236 69.939 68.868 -0.274 0.000 1.287 437 T HN 0.677 nan 8.240 nan 0.000 0.491 438 I N 2.440 123.007 120.570 -0.006 0.000 2.906 438 I HA 0.221 4.391 4.170 -0.000 0.000 0.302 438 I C 1.210 177.357 176.117 0.051 0.000 1.220 438 I CA 0.529 61.850 61.300 0.036 0.000 1.441 438 I CB 0.173 38.248 38.000 0.124 0.000 1.336 438 I HN 0.794 nan 8.210 nan 0.000 0.565 439 G N 5.894 114.719 108.800 0.042 0.000 2.224 439 G HA2 0.268 4.228 3.960 -0.000 0.000 0.239 439 G HA3 0.268 4.228 3.960 -0.000 0.000 0.239 439 G C -0.396 174.599 174.900 0.159 0.000 1.240 439 G CA 0.343 45.493 45.100 0.084 0.000 0.896 439 G HN 0.896 nan 8.290 nan 0.000 0.496 440 S N 2.430 118.170 115.700 0.067 0.000 2.570 440 S HA 0.703 5.172 4.470 -0.000 0.000 0.270 440 S C -3.266 170.977 174.600 -0.595 0.000 1.149 440 S CA -1.575 56.432 58.200 -0.321 0.000 0.837 440 S CB 2.426 65.312 63.200 -0.523 0.000 1.124 440 S HN 0.361 nan 8.310 nan 0.000 0.465 441 P HA 0.370 nan 4.420 nan 0.000 0.265 441 P C -0.639 176.555 177.300 -0.177 0.000 1.193 441 P CA 0.278 62.894 63.100 -0.807 0.000 0.765 441 P CB 0.522 31.803 31.700 -0.698 0.000 0.823 442 S N 1.759 117.428 115.700 -0.053 0.000 2.697 442 S HA 0.652 5.122 4.470 -0.000 0.000 0.289 442 S C -0.947 173.675 174.600 0.036 0.000 1.149 442 S CA -0.739 57.458 58.200 -0.004 0.000 0.850 442 S CB 1.953 65.104 63.200 -0.081 0.000 1.151 442 S HN 0.354 nan 8.310 nan 0.000 0.491 443 K N 1.502 121.825 120.400 -0.127 0.000 2.553 443 K HA 0.539 4.858 4.320 -0.000 0.000 0.250 443 K C -1.992 174.539 176.600 -0.115 0.000 0.953 443 K CA -0.392 55.921 56.287 0.042 0.000 0.800 443 K CB 1.602 34.284 32.500 0.304 0.000 1.243 443 K HN 0.697 nan 8.250 nan 0.000 0.435 444 I N 5.277 125.877 120.570 0.049 0.000 2.474 444 I HA 0.527 4.697 4.170 -0.000 0.000 0.294 444 I C -1.664 174.615 176.117 0.270 0.000 1.005 444 I CA -0.769 60.607 61.300 0.127 0.000 1.113 444 I CB 1.032 39.155 38.000 0.206 0.000 1.289 444 I HN 0.714 nan 8.210 nan 0.000 0.436 445 Y N 3.195 123.528 120.300 0.056 0.000 2.552 445 Y HA 0.522 5.072 4.550 -0.000 0.000 0.337 445 Y C -1.500 174.406 175.900 0.011 0.000 1.094 445 Y CA -1.288 56.851 58.100 0.065 0.000 1.028 445 Y CB 0.547 39.056 38.460 0.082 0.000 1.321 445 Y HN 0.445 nan 8.280 nan 0.000 0.456 446 N N 1.316 120.109 118.700 0.154 0.000 2.499 446 N HA 0.570 5.310 4.740 -0.000 0.000 0.281 446 N C -1.253 174.335 175.510 0.131 0.000 1.098 446 N CA -0.273 52.813 53.050 0.060 0.000 0.979 446 N CB 1.653 40.198 38.487 0.098 0.000 1.121 446 N HN 0.664 nan 8.380 nan 0.000 0.466 447 S N 2.373 118.070 115.700 -0.004 0.000 2.614 447 S HA 0.338 4.808 4.470 -0.000 0.000 0.275 447 S C -0.412 174.184 174.600 -0.006 0.000 1.161 447 S CA -0.639 57.592 58.200 0.053 0.000 0.969 447 S CB 0.049 63.203 63.200 -0.077 0.000 1.059 447 S HN 0.660 nan 8.310 nan 0.000 0.482 448 L N 3.865 125.117 121.223 0.048 0.000 3.737 448 L HA -0.277 4.063 4.340 -0.000 0.000 0.418 448 L C 1.268 178.139 176.870 0.003 0.000 1.216 448 L CA 0.672 55.521 54.840 0.015 0.000 0.915 448 L CB -1.984 40.057 42.059 -0.029 0.000 1.834 448 L HN 1.244 nan 8.230 nan 0.000 0.943 449 G N -1.694 107.118 108.800 0.020 0.000 2.234 449 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 449 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 449 G C 0.123 175.021 174.900 -0.004 0.000 0.997 449 G CA 0.478 45.586 45.100 0.014 0.000 0.623 449 G HN 0.513 nan 8.290 nan 0.000 0.514 450 Q N 0.393 120.176 119.800 -0.029 0.000 2.413 450 Q HA 0.559 4.899 4.340 -0.000 0.000 0.276 450 Q C -2.938 173.005 176.000 -0.095 0.000 1.099 450 Q CA -2.210 53.563 55.803 -0.050 0.000 0.814 450 Q CB 2.951 31.662 28.738 -0.044 0.000 1.379 450 Q HN 0.177 nan 8.270 nan 0.000 0.436 451 P HA 0.219 nan 4.420 nan 0.000 0.278 451 P C -1.065 176.098 177.300 -0.228 0.000 1.238 451 P CA -0.269 62.735 63.100 -0.161 0.000 0.794 451 P CB 0.838 32.468 31.700 -0.116 0.000 0.955 452 V N 2.638 122.295 119.914 -0.428 0.000 2.841 452 V HA 0.481 4.601 4.120 -0.000 0.000 0.310 452 V C -0.892 174.991 176.094 -0.352 0.000 1.090 452 V CA -0.485 61.536 62.300 -0.465 0.000 0.930 452 V CB 2.068 33.392 31.823 -0.832 0.000 1.014 452 V HN 0.412 nan 8.190 nan 0.000 0.425 453 F N 3.551 123.404 119.950 -0.162 0.000 2.532 453 F HA 0.727 5.254 4.527 -0.000 0.000 0.321 453 F C -1.129 174.864 175.800 0.322 0.000 1.089 453 F CA -0.685 57.346 58.000 0.050 0.000 0.926 453 F CB 1.771 40.737 39.000 -0.057 0.000 1.168 453 F HN 0.552 nan 8.300 nan 0.000 0.459 454 Y N 5.253 125.548 120.300 -0.008 0.000 2.391 454 Y HA 0.464 5.014 4.550 -0.000 0.000 0.341 454 Y C -1.280 174.604 175.900 -0.027 0.000 0.965 454 Y CA -0.615 57.560 58.100 0.125 0.000 1.067 454 Y CB 1.369 39.876 38.460 0.078 0.000 1.199 454 Y HN 0.665 nan 8.280 nan 0.000 0.450 455 Q N 4.982 124.434 119.800 -0.579 0.000 2.356 455 Q HA 0.796 5.136 4.340 -0.000 0.000 0.270 455 Q C -1.281 174.112 176.000 -1.012 0.000 1.058 455 Q CA -1.023 54.480 55.803 -0.500 0.000 0.802 455 Q CB 1.922 30.694 28.738 0.056 0.000 1.303 455 Q HN 0.966 nan 8.270 nan 0.000 0.444 456 A N 2.210 124.627 122.820 -0.670 0.000 2.386 456 A HA 0.359 4.679 4.320 -0.000 0.000 0.248 456 A C -0.330 177.112 177.584 -0.237 0.000 1.082 456 A CA -0.227 51.575 52.037 -0.390 0.000 0.789 456 A CB 0.558 19.509 19.000 -0.082 0.000 1.025 456 A HN 0.707 nan 8.150 nan 0.000 0.490 457 S N 1.232 116.886 115.700 -0.078 0.000 2.921 457 S HA 0.260 4.730 4.470 -0.000 0.000 0.244 457 S C -0.300 174.357 174.600 0.095 0.000 1.291 457 S CA -0.092 58.060 58.200 -0.080 0.000 1.010 457 S CB -0.475 62.632 63.200 -0.155 0.000 1.255 457 S HN 0.624 nan 8.310 nan 0.000 0.492 458 Y N 1.246 121.468 120.300 -0.130 0.000 2.495 458 Y HA 0.214 4.763 4.550 -0.000 0.000 0.293 458 Y C 1.448 177.325 175.900 -0.038 0.000 1.186 458 Y CA -0.467 57.572 58.100 -0.102 0.000 1.266 458 Y CB 0.451 38.899 38.460 -0.020 0.000 1.101 458 Y HN 0.534 nan 8.280 nan 0.000 0.517 459 S N -1.110 114.610 115.700 0.033 0.000 3.642 459 S HA 0.107 4.577 4.470 -0.000 0.000 0.312 459 S C 0.353 174.944 174.600 -0.015 0.000 1.117 459 S CA -0.621 57.595 58.200 0.027 0.000 1.104 459 S CB -0.225 62.940 63.200 -0.059 0.000 1.397 459 S HN 0.490 nan 8.310 nan 0.000 0.756 460 W N 0.888 122.208 121.300 0.034 0.000 2.658 460 W HA 0.288 4.948 4.660 -0.000 0.000 0.263 460 W C 0.015 176.536 176.519 0.004 0.000 1.274 460 W CA 0.602 57.959 57.345 0.020 0.000 1.343 460 W CB -0.983 28.496 29.460 0.032 0.000 1.106 460 W HN 0.491 nan 8.180 nan 0.000 0.615 461 D N 2.652 122.606 120.400 -0.742 0.000 2.551 461 D HA 0.037 4.677 4.640 -0.000 0.000 0.223 461 D C 1.639 177.743 176.300 -0.327 0.000 1.144 461 D CA 0.596 54.206 54.000 -0.650 0.000 1.025 461 D CB 0.582 40.715 40.800 -1.111 0.000 1.085 461 D HN 0.058 nan 8.370 nan 0.000 0.506 462 T N -0.289 114.178 114.554 -0.145 0.000 3.088 462 T HA 0.033 4.383 4.350 -0.000 0.000 0.259 462 T C 1.131 175.738 174.700 -0.155 0.000 1.122 462 T CA -0.198 61.821 62.100 -0.136 0.000 1.095 462 T CB -0.083 68.727 68.868 -0.096 0.000 0.930 462 T HN 0.107 nan 8.240 nan 0.000 0.508 463 M N 1.540 121.062 119.600 -0.129 0.000 2.248 463 M HA 0.348 4.828 4.480 -0.000 0.000 0.337 463 M C 0.517 176.730 176.300 -0.145 0.000 1.121 463 M CA -1.688 53.542 55.300 -0.115 0.000 1.155 463 M CB 0.027 32.592 32.600 -0.058 0.000 1.514 463 M HN 0.261 nan 8.290 nan 0.000 0.452 464 I N 3.109 123.615 120.570 -0.108 0.000 2.826 464 I HA -0.116 4.053 4.170 -0.000 0.000 0.295 464 I C 0.034 176.114 176.117 -0.061 0.000 1.213 464 I CA 0.654 61.928 61.300 -0.042 0.000 1.436 464 I CB 0.163 38.176 38.000 0.021 0.000 1.348 464 I HN 0.529 nan 8.210 nan 0.000 0.570 465 K N 8.222 128.542 120.400 -0.133 0.000 2.281 465 K HA 0.577 4.897 4.320 -0.000 0.000 0.272 465 K C -1.287 175.432 176.600 0.200 0.000 1.048 465 K CA -0.533 55.597 56.287 -0.262 0.000 0.898 465 K CB 1.375 33.416 32.500 -0.765 0.000 1.128 465 K HN 0.441 nan 8.250 nan 0.000 0.460 466 L N 0.808 122.356 121.223 0.543 0.000 2.591 466 L HA 0.723 5.062 4.340 -0.000 0.000 0.257 466 L C -1.267 175.887 176.870 0.473 0.000 0.935 466 L CA 0.138 55.343 54.840 0.607 0.000 0.873 466 L CB 2.208 44.590 42.059 0.537 0.000 1.397 466 L HN 0.665 nan 8.230 nan 0.000 0.414 467 G N 1.833 110.850 108.800 0.362 0.000 2.338 467 G HA2 0.302 4.261 3.960 -0.000 0.000 0.295 467 G HA3 0.302 4.261 3.960 -0.000 0.000 0.295 467 G C -1.999 172.967 174.900 0.110 0.000 1.461 467 G CA -0.842 44.319 45.100 0.102 0.000 0.817 467 G HN 0.592 nan 8.290 nan 0.000 0.556 468 D N -0.131 120.343 120.400 0.123 0.000 2.414 468 D HA 0.300 4.940 4.640 -0.000 0.000 0.242 468 D C 0.710 176.945 176.300 -0.108 0.000 1.129 468 D CA 0.178 54.223 54.000 0.075 0.000 0.885 468 D CB 1.856 42.743 40.800 0.145 0.000 1.198 468 D HN 0.159 nan 8.370 nan 0.000 0.437 469 V N 3.669 123.508 119.914 -0.125 0.000 2.470 469 V HA -0.052 4.068 4.120 -0.000 0.000 0.276 469 V C 1.526 177.516 176.094 -0.174 0.000 1.040 469 V CA 0.037 62.221 62.300 -0.193 0.000 1.008 469 V CB 1.295 33.017 31.823 -0.169 0.000 0.990 469 V HN 0.549 nan 8.190 nan 0.000 0.477 470 D N 3.334 123.607 120.400 -0.211 0.000 2.085 470 D HA -0.041 4.599 4.640 -0.000 0.000 0.199 470 D C 0.802 177.017 176.300 -0.143 0.000 0.981 470 D CA 1.542 55.444 54.000 -0.163 0.000 0.834 470 D CB 0.573 41.267 40.800 -0.178 0.000 0.992 470 D HN 0.690 nan 8.370 nan 0.000 0.457 471 T N -2.031 112.423 114.554 -0.167 0.000 2.900 471 T HA 0.468 4.818 4.350 -0.000 0.000 0.295 471 T C 0.965 175.547 174.700 -0.196 0.000 1.044 471 T CA -0.882 61.127 62.100 -0.151 0.000 0.995 471 T CB 2.089 70.885 68.868 -0.120 0.000 1.072 471 T HN -0.195 nan 8.240 nan 0.000 0.473 472 V N 0.181 119.970 119.914 -0.208 0.000 2.426 472 V HA 0.173 4.293 4.120 -0.000 0.000 0.242 472 V C 0.523 176.462 176.094 -0.259 0.000 1.036 472 V CA 1.246 63.367 62.300 -0.298 0.000 1.044 472 V CB -0.236 31.324 31.823 -0.439 0.000 0.688 472 V HN 1.015 nan 8.190 nan 0.000 0.462 473 D N 0.586 120.886 120.400 -0.167 0.000 2.440 473 D HA 0.379 5.018 4.640 -0.000 0.000 0.252 473 D C -2.596 173.669 176.300 -0.058 0.000 1.180 473 D CA -1.659 52.294 54.000 -0.078 0.000 0.894 473 D CB 1.634 42.445 40.800 0.018 0.000 1.111 473 D HN 0.194 nan 8.370 nan 0.000 0.544 474 P HA 0.253 nan 4.420 nan 0.000 0.274 474 P C -0.568 176.648 177.300 -0.140 0.000 1.231 474 P CA -0.823 62.225 63.100 -0.086 0.000 0.790 474 P CB 0.617 32.282 31.700 -0.059 0.000 0.951 475 L N 2.751 123.867 121.223 -0.179 0.000 2.360 475 L HA 0.351 4.691 4.340 -0.000 0.000 0.276 475 L C 0.115 176.823 176.870 -0.270 0.000 1.121 475 L CA 0.434 55.120 54.840 -0.257 0.000 0.845 475 L CB -0.437 41.437 42.059 -0.309 0.000 1.143 475 L HN 0.354 nan 8.230 nan 0.000 0.452 476 R N 4.270 124.584 120.500 -0.310 0.000 2.510 476 R HA 0.584 4.924 4.340 -0.000 0.000 0.287 476 R C -1.945 174.087 176.300 -0.447 0.000 1.084 476 R CA -0.603 55.303 56.100 -0.324 0.000 0.934 476 R CB 1.714 31.885 30.300 -0.215 0.000 1.201 476 R HN 0.515 nan 8.270 nan 0.000 0.431 477 V N 3.921 123.427 119.914 -0.679 0.000 2.547 477 V HA 0.297 4.417 4.120 -0.000 0.000 0.299 477 V C 0.114 175.708 176.094 -0.834 0.000 1.040 477 V CA -0.756 60.999 62.300 -0.908 0.000 0.913 477 V CB 1.781 32.613 31.823 -1.653 0.000 0.992 477 V HN 0.710 nan 8.190 nan 0.000 0.449 478 Q N 3.454 122.937 119.800 -0.529 0.000 2.681 478 Q HA 0.196 4.535 4.340 -0.000 0.000 0.222 478 Q C -0.935 174.898 176.000 -0.277 0.000 1.258 478 Q CA -0.158 55.441 55.803 -0.340 0.000 1.014 478 Q CB 0.353 28.961 28.738 -0.215 0.000 1.384 478 Q HN 0.708 nan 8.270 nan 0.000 0.570 479 W N 2.544 123.782 121.300 -0.102 0.000 2.314 479 W HA -0.012 4.648 4.660 -0.000 0.000 0.339 479 W C 0.705 177.123 176.519 -0.168 0.000 1.293 479 W CA -0.759 56.524 57.345 -0.103 0.000 1.288 479 W CB 0.362 29.782 29.460 -0.067 0.000 1.186 479 W HN 0.200 nan 8.180 nan 0.000 0.566 480 R N 2.778 123.296 120.500 0.031 0.000 2.590 480 R HA 0.011 4.351 4.340 -0.000 0.000 0.274 480 R C 0.101 176.396 176.300 -0.009 0.000 1.061 480 R CA -0.333 55.690 56.100 -0.129 0.000 1.081 480 R CB 0.015 30.179 30.300 -0.227 0.000 0.984 480 R HN 0.456 nan 8.270 nan 0.000 0.448 481 N N 2.586 121.264 118.700 -0.036 0.000 3.178 481 N HA -0.044 4.696 4.740 -0.000 0.000 0.300 481 N C -0.206 175.301 175.510 -0.005 0.000 1.242 481 N CA 0.101 53.146 53.050 -0.009 0.000 1.192 481 N CB 0.009 38.489 38.487 -0.012 0.000 1.463 481 N HN 0.347 nan 8.380 nan 0.000 0.539 482 N N 0.804 119.509 118.700 0.008 0.000 2.499 482 N HA 0.069 4.809 4.740 -0.000 0.000 0.281 482 N C 0.369 175.881 175.510 0.003 0.000 1.098 482 N CA 0.040 53.105 53.050 0.024 0.000 0.979 482 N CB 0.885 39.409 38.487 0.061 0.000 1.121 482 N HN 0.234 nan 8.380 nan 0.000 0.466 483 S N 0.779 116.480 115.700 0.002 0.000 2.819 483 S HA 0.086 4.556 4.470 -0.000 0.000 0.249 483 S C 0.929 175.532 174.600 0.005 0.000 1.030 483 S CA -0.146 58.057 58.200 0.005 0.000 1.052 483 S CB -0.495 62.703 63.200 -0.004 0.000 1.017 483 S HN 0.389 nan 8.310 nan 0.000 0.576 484 V N -2.318 117.576 119.914 -0.035 0.000 3.485 484 V HA 0.599 4.719 4.120 -0.000 0.000 0.280 484 V C -0.182 175.815 176.094 -0.163 0.000 1.495 484 V CA -0.314 61.947 62.300 -0.064 0.000 1.018 484 V CB 0.047 31.805 31.823 -0.109 0.000 0.818 484 V HN 0.375 nan 8.190 nan 0.000 0.436 485 I N 1.428 121.841 120.570 -0.261 0.000 2.410 485 I HA 0.688 4.858 4.170 -0.000 0.000 0.286 485 I C 0.043 175.978 176.117 -0.303 0.000 1.009 485 I CA 0.372 61.407 61.300 -0.442 0.000 1.111 485 I CB 1.286 38.852 38.000 -0.722 0.000 1.262 485 I HN 0.278 nan 8.210 nan 0.000 0.443 486 S N 6.540 122.006 115.700 -0.391 0.000 3.206 486 S HA 0.792 5.262 4.470 -0.000 0.000 0.261 486 S C -0.719 173.701 174.600 -0.300 0.000 1.020 486 S CA -0.379 57.583 58.200 -0.396 0.000 1.078 486 S CB 1.626 64.373 63.200 -0.755 0.000 1.301 486 S HN 0.718 nan 8.310 nan 0.000 0.677 487 R N 0.611 120.936 120.500 -0.293 0.000 2.663 487 R HA 0.471 4.811 4.340 -0.000 0.000 0.267 487 R C -3.615 172.578 176.300 -0.177 0.000 1.038 487 R CA -1.835 54.162 56.100 -0.171 0.000 0.886 487 R CB 0.146 30.390 30.300 -0.093 0.000 1.249 487 R HN 0.382 nan 8.270 nan 0.000 0.463 488 P HA 0.279 nan 4.420 nan 0.000 0.271 488 P C -0.143 177.090 177.300 -0.112 0.000 1.216 488 P CA 0.170 63.206 63.100 -0.106 0.000 0.776 488 P CB 0.977 32.635 31.700 -0.069 0.000 0.881 489 G N 1.667 110.409 108.800 -0.096 0.000 3.135 489 G HA2 0.498 4.458 3.960 -0.000 0.000 0.159 489 G HA3 0.498 4.458 3.960 -0.000 0.000 0.159 489 G C -0.905 173.949 174.900 -0.077 0.000 1.244 489 G CA -0.351 44.692 45.100 -0.095 0.000 0.965 489 G HN 0.489 nan 8.290 nan 0.000 0.599 490 Q N -1.701 118.064 119.800 -0.058 0.000 3.017 490 Q HA 0.446 4.785 4.340 -0.000 0.000 0.299 490 Q C 1.438 177.431 176.000 -0.012 0.000 1.046 490 Q CA -0.442 55.337 55.803 -0.039 0.000 0.821 490 Q CB 1.821 30.530 28.738 -0.048 0.000 1.481 490 Q HN 0.471 nan 8.270 nan 0.000 0.494 491 S N -0.025 115.672 115.700 -0.004 0.000 2.381 491 S HA -0.318 4.152 4.470 -0.000 0.000 0.230 491 S C 1.669 176.282 174.600 0.021 0.000 1.052 491 S CA 2.513 60.718 58.200 0.008 0.000 1.068 491 S CB -0.067 63.137 63.200 0.006 0.000 0.918 491 S HN 0.537 nan 8.310 nan 0.000 0.448 492 Q N -0.468 119.347 119.800 0.026 0.000 2.137 492 Q HA 0.124 4.464 4.340 -0.000 0.000 0.198 492 Q C 0.236 176.274 176.000 0.064 0.000 0.960 492 Q CA 1.215 57.045 55.803 0.045 0.000 0.847 492 Q CB 0.030 28.799 28.738 0.052 0.000 0.915 492 Q HN 0.585 nan 8.270 nan 0.000 0.448 493 c N 2.564 121.197 118.600 0.056 0.000 3.188 493 c HA 0.505 5.075 4.570 -0.000 0.000 0.230 493 c C -2.359 171.746 174.090 0.025 0.000 1.239 493 c CA -1.688 54.684 56.329 0.070 0.000 1.494 493 c CB 0.379 42.949 42.510 0.100 0.000 1.798 493 c HN 0.408 nan 8.230 nan 0.000 0.458 494 P HA 0.207 nan 4.420 nan 0.000 0.297 494 P C 0.029 177.309 177.300 -0.035 0.000 1.303 494 P CA -0.320 62.779 63.100 -0.001 0.000 0.753 494 P CB 0.564 32.282 31.700 0.030 0.000 1.281 495 R N -0.817 119.625 120.500 -0.097 0.000 2.758 495 R HA 0.010 4.349 4.340 -0.000 0.000 0.263 495 R C 0.148 176.367 176.300 -0.135 0.000 1.010 495 R CA 0.508 56.431 56.100 -0.296 0.000 1.114 495 R CB -0.665 29.333 30.300 -0.504 0.000 0.985 495 R HN 0.481 nan 8.270 nan 0.000 0.439 496 F N -1.568 118.371 119.950 -0.018 0.000 2.973 496 F HA -0.328 4.199 4.527 -0.000 0.000 0.299 496 F C 0.441 176.252 175.800 0.018 0.000 0.737 496 F CA 0.875 58.866 58.000 -0.014 0.000 1.151 496 F CB -2.043 36.946 39.000 -0.019 0.000 1.440 496 F HN 0.578 nan 8.300 nan 0.000 0.367 497 N N 0.201 118.985 118.700 0.140 0.000 2.520 497 N HA 0.489 5.229 4.740 -0.000 0.000 0.273 497 N C 0.550 176.174 175.510 0.190 0.000 1.155 497 N CA 0.186 53.329 53.050 0.156 0.000 0.967 497 N CB 1.024 39.595 38.487 0.141 0.000 1.092 497 N HN -0.003 nan 8.380 nan 0.000 0.457 498 V N 1.404 121.454 119.914 0.226 0.000 3.411 498 V HA 0.186 4.306 4.120 -0.000 0.000 0.287 498 V C -0.082 176.227 176.094 0.358 0.000 1.543 498 V CA -0.294 62.198 62.300 0.320 0.000 1.028 498 V CB -0.148 31.805 31.823 0.217 0.000 0.840 498 V HN 0.691 nan 8.190 nan 0.000 0.435 499 c N 3.231 121.949 118.600 0.196 0.000 2.499 499 c HA 0.386 4.956 4.570 -0.000 0.000 0.386 499 c C -2.088 171.894 174.090 -0.180 0.000 1.293 499 c CA -1.060 55.272 56.329 0.004 0.000 1.884 499 c CB 0.422 42.941 42.510 0.015 0.000 2.509 499 c HN 0.275 nan 8.230 nan 0.000 0.566 500 P HA 0.134 nan 4.420 nan 0.000 0.262 500 P C -0.235 176.761 177.300 -0.506 0.000 1.199 500 P CA 0.813 63.146 63.100 -1.277 0.000 0.763 500 P CB 0.436 31.408 31.700 -1.213 0.000 0.790 501 E N 1.635 121.661 120.200 -0.289 0.000 2.408 501 E HA 0.267 4.616 4.350 -0.000 0.000 0.275 501 E C -0.834 175.812 176.600 0.076 0.000 0.935 501 E CA -0.975 55.406 56.400 -0.032 0.000 0.775 501 E CB 2.017 31.756 29.700 0.064 0.000 1.277 501 E HN -0.052 nan 8.360 nan 0.000 0.455 502 V N 1.691 121.647 119.914 0.070 0.000 2.326 502 V HA 0.176 4.295 4.120 -0.000 0.000 0.249 502 V C 0.204 176.378 176.094 0.133 0.000 1.114 502 V CA -0.387 61.975 62.300 0.103 0.000 1.028 502 V CB -0.921 30.939 31.823 0.063 0.000 1.170 502 V HN 0.708 nan 8.190 nan 0.000 0.494 503 c N 2.515 121.231 118.600 0.193 0.000 2.782 503 c HA 0.739 5.308 4.570 -0.000 0.000 0.328 503 c C -1.220 173.035 174.090 0.273 0.000 1.145 503 c CA -1.113 55.331 56.329 0.192 0.000 1.358 503 c CB 0.819 43.421 42.510 0.153 0.000 1.841 503 c HN 0.833 nan 8.230 nan 0.000 0.477 504 W N 4.842 126.166 121.300 0.040 0.000 2.443 504 W HA 0.634 5.294 4.660 -0.000 0.000 0.303 504 W C -0.359 176.137 176.519 -0.039 0.000 0.991 504 W CA -0.140 57.222 57.345 0.028 0.000 1.522 504 W CB 0.560 30.047 29.460 0.047 0.000 1.315 504 W HN 0.958 nan 8.180 nan 0.000 0.419 505 E N 4.151 124.168 120.200 -0.306 0.000 2.416 505 E HA 0.756 5.106 4.350 -0.000 0.000 0.280 505 E C -0.258 176.050 176.600 -0.488 0.000 1.055 505 E CA -0.895 55.229 56.400 -0.459 0.000 0.825 505 E CB 1.610 31.178 29.700 -0.220 0.000 1.312 505 E HN 0.548 nan 8.360 nan 0.000 0.452 506 G N 0.264 108.742 108.800 -0.537 0.000 2.346 506 G HA2 0.354 4.314 3.960 -0.000 0.000 0.294 506 G HA3 0.354 4.314 3.960 -0.000 0.000 0.294 506 G C -1.074 173.546 174.900 -0.468 0.000 1.294 506 G CA -0.215 44.635 45.100 -0.418 0.000 0.962 506 G HN 1.175 nan 8.290 nan 0.000 0.508 507 T N -2.798 111.649 114.554 -0.179 0.000 2.956 507 T HA 0.584 4.934 4.350 -0.000 0.000 0.312 507 T C -0.957 173.892 174.700 0.249 0.000 1.151 507 T CA -0.491 61.611 62.100 0.003 0.000 1.024 507 T CB 1.864 70.727 68.868 -0.008 0.000 1.140 507 T HN 1.633 nan 8.240 nan 0.000 0.473 508 Y N 2.887 123.335 120.300 0.246 0.000 2.537 508 Y HA 0.432 4.982 4.550 -0.000 0.000 0.339 508 Y C -0.177 175.824 175.900 0.168 0.000 1.066 508 Y CA 0.144 58.403 58.100 0.265 0.000 1.357 508 Y CB 0.199 38.782 38.460 0.205 0.000 1.175 508 Y HN 0.828 nan 8.280 nan 0.000 0.525 509 N N 5.149 123.764 118.700 -0.143 0.000 2.725 509 N HA 0.085 4.824 4.740 -0.000 0.000 0.248 509 N C -1.623 173.516 175.510 -0.618 0.000 1.402 509 N CA -0.803 52.114 53.050 -0.221 0.000 0.766 509 N CB 0.341 38.799 38.487 -0.048 0.000 1.223 509 N HN 0.649 nan 8.380 nan 0.000 0.515 510 D N 0.859 120.609 120.400 -1.084 0.000 2.384 510 D HA 0.541 5.181 4.640 -0.000 0.000 0.244 510 D C -0.153 175.754 176.300 -0.655 0.000 1.251 510 D CA -0.509 52.529 54.000 -1.604 0.000 0.961 510 D CB 0.850 40.938 40.800 -1.186 0.000 1.116 510 D HN 0.264 nan 8.370 nan 0.000 0.484 511 A N -0.866 121.688 122.820 -0.444 0.000 2.587 511 A HA 0.591 4.911 4.320 -0.000 0.000 0.293 511 A C -1.810 175.781 177.584 0.011 0.000 1.087 511 A CA -0.901 51.095 52.037 -0.068 0.000 0.692 511 A CB 1.178 20.290 19.000 0.186 0.000 1.291 511 A HN 0.479 nan 8.150 nan 0.000 0.407 512 F N 1.520 121.392 119.950 -0.131 0.000 2.460 512 F HA 0.530 5.057 4.527 -0.000 0.000 0.341 512 F C -0.216 175.544 175.800 -0.066 0.000 1.130 512 F CA -0.827 57.092 58.000 -0.135 0.000 0.962 512 F CB 1.506 40.386 39.000 -0.200 0.000 1.171 512 F HN 0.582 nan 8.300 nan 0.000 0.436 513 L N 7.917 129.062 121.223 -0.130 0.000 2.584 513 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 513 L C 0.610 177.425 176.870 -0.092 0.000 1.195 513 L CA 0.819 55.474 54.840 -0.308 0.000 0.920 513 L CB 0.124 41.805 42.059 -0.630 0.000 1.173 513 L HN 0.704 nan 8.230 nan 0.000 0.489 514 I N -0.206 120.294 120.570 -0.118 0.000 4.082 514 I HA 0.491 4.661 4.170 -0.000 0.000 0.337 514 I C -0.388 175.671 176.117 -0.096 0.000 1.352 514 I CA -0.045 61.243 61.300 -0.020 0.000 1.097 514 I CB 0.441 38.448 38.000 0.011 0.000 1.048 514 I HN 0.523 nan 8.210 nan 0.000 0.393 515 D N 1.569 121.842 120.400 -0.211 0.000 2.333 515 D HA 0.155 4.794 4.640 -0.000 0.000 0.225 515 D C 0.394 176.516 176.300 -0.298 0.000 1.345 515 D CA -0.361 53.529 54.000 -0.183 0.000 0.971 515 D CB 1.551 42.289 40.800 -0.103 0.000 1.451 515 D HN 0.131 nan 8.370 nan 0.000 0.561 516 R N 2.966 123.287 120.500 -0.299 0.000 2.119 516 R HA 0.024 4.364 4.340 -0.000 0.000 0.222 516 R C 1.781 178.039 176.300 -0.070 0.000 1.088 516 R CA 0.552 56.437 56.100 -0.358 0.000 0.984 516 R CB 0.043 30.201 30.300 -0.237 0.000 0.884 516 R HN 0.390 nan 8.270 nan 0.000 0.447 517 L N 1.343 122.548 121.223 -0.029 0.000 2.042 517 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 517 L C 0.889 177.801 176.870 0.070 0.000 1.076 517 L CA 1.833 56.693 54.840 0.032 0.000 0.749 517 L CB -0.206 41.862 42.059 0.014 0.000 0.893 517 L HN 0.247 nan 8.230 nan 0.000 0.432 518 N N -2.284 116.446 118.700 0.050 0.000 2.203 518 N HA -0.044 4.696 4.740 -0.000 0.000 0.207 518 N C -0.566 175.038 175.510 0.157 0.000 1.130 518 N CA 0.093 53.194 53.050 0.084 0.000 0.861 518 N CB 0.029 38.543 38.487 0.045 0.000 1.005 518 N HN 0.348 nan 8.380 nan 0.000 0.507 519 W N 1.696 122.983 121.300 -0.022 0.000 7.193 519 W HA -0.225 4.435 4.660 -0.000 0.000 0.423 519 W C -0.614 175.862 176.519 -0.073 0.000 1.702 519 W CA 0.086 57.410 57.345 -0.035 0.000 1.167 519 W CB -1.281 28.170 29.460 -0.015 0.000 2.934 519 W HN -0.270 nan 8.180 nan 0.000 1.576 520 V N 2.392 122.259 119.914 -0.078 0.000 2.472 520 V HA 0.595 4.715 4.120 -0.000 0.000 0.290 520 V C 0.637 176.534 176.094 -0.328 0.000 1.037 520 V CA -0.490 61.711 62.300 -0.165 0.000 0.908 520 V CB 1.860 33.600 31.823 -0.139 0.000 0.985 520 V HN 0.102 nan 8.190 nan 0.000 0.454 521 S N 2.156 117.526 115.700 -0.549 0.000 2.677 521 S HA 0.940 5.410 4.470 -0.000 0.000 0.304 521 S C -0.451 173.722 174.600 -0.711 0.000 1.108 521 S CA -0.502 57.330 58.200 -0.614 0.000 0.944 521 S CB 2.039 64.867 63.200 -0.620 0.000 1.127 521 S HN 1.107 nan 8.310 nan 0.000 0.511 522 A N 0.196 122.788 122.820 -0.380 0.000 2.427 522 A HA 0.925 5.244 4.320 -0.000 0.000 0.298 522 A C -0.220 177.232 177.584 -0.220 0.000 1.036 522 A CA -0.312 51.545 52.037 -0.300 0.000 0.701 522 A CB 1.373 20.301 19.000 -0.120 0.000 1.250 522 A HN 1.263 nan 8.150 nan 0.000 0.412 523 G N -0.523 108.050 108.800 -0.379 0.000 2.506 523 G HA2 0.571 4.531 3.960 -0.000 0.000 0.292 523 G HA3 0.571 4.531 3.960 -0.000 0.000 0.292 523 G C -1.833 172.865 174.900 -0.336 0.000 1.425 523 G CA -0.324 44.624 45.100 -0.253 0.000 0.788 523 G HN 1.192 nan 8.290 nan 0.000 0.490 524 V N 1.092 120.917 119.914 -0.148 0.000 2.398 524 V HA 0.626 4.746 4.120 -0.000 0.000 0.286 524 V C -0.589 175.486 176.094 -0.031 0.000 1.026 524 V CA -0.624 61.618 62.300 -0.097 0.000 0.868 524 V CB 0.587 32.393 31.823 -0.028 0.000 0.982 524 V HN 0.845 nan 8.190 nan 0.000 0.443 525 Y N 3.728 123.956 120.300 -0.121 0.000 2.468 525 Y HA 0.804 5.354 4.550 -0.000 0.000 0.342 525 Y C -0.735 175.115 175.900 -0.082 0.000 1.021 525 Y CA -1.677 56.350 58.100 -0.120 0.000 1.079 525 Y CB 1.261 39.619 38.460 -0.170 0.000 1.226 525 Y HN 0.424 nan 8.280 nan 0.000 0.460 526 L N 3.900 125.123 121.223 -0.000 0.000 2.283 526 L HA 0.222 4.562 4.340 -0.000 0.000 0.287 526 L C 0.032 176.934 176.870 0.054 0.000 1.073 526 L CA -0.341 54.469 54.840 -0.050 0.000 0.822 526 L CB 0.355 42.404 42.059 -0.016 0.000 1.186 526 L HN 0.698 nan 8.230 nan 0.000 0.436 527 N N 2.742 121.422 118.700 -0.034 0.000 3.050 527 N HA 0.103 4.842 4.740 -0.000 0.000 0.289 527 N C -0.858 174.694 175.510 0.070 0.000 1.209 527 N CA 0.229 53.352 53.050 0.123 0.000 1.154 527 N CB 0.283 38.811 38.487 0.068 0.000 1.444 527 N HN 0.605 nan 8.380 nan 0.000 0.529 528 S N 1.534 117.267 115.700 0.055 0.000 2.542 528 S HA 0.341 4.811 4.470 -0.000 0.000 0.276 528 S C 0.290 174.893 174.600 0.004 0.000 1.148 528 S CA -0.740 57.477 58.200 0.029 0.000 0.886 528 S CB 0.626 63.830 63.200 0.007 0.000 1.109 528 S HN 0.349 nan 8.310 nan 0.000 0.458 529 N N 2.104 120.816 118.700 0.020 0.000 2.173 529 N HA 0.136 4.876 4.740 -0.000 0.000 0.184 529 N C 0.928 176.428 175.510 -0.017 0.000 1.025 529 N CA 1.174 54.230 53.050 0.011 0.000 0.852 529 N CB 0.005 38.528 38.487 0.060 0.000 0.998 529 N HN 0.708 nan 8.380 nan 0.000 0.427 530 Q N -0.786 119.008 119.800 -0.011 0.000 2.103 530 Q HA 0.174 4.514 4.340 -0.000 0.000 0.219 530 Q C -0.642 175.339 176.000 -0.031 0.000 0.784 530 Q CA -0.053 55.737 55.803 -0.022 0.000 1.014 530 Q CB 1.412 30.145 28.738 -0.009 0.000 1.183 530 Q HN 0.260 nan 8.270 nan 0.000 0.469 531 T N -3.033 111.504 114.554 -0.028 0.000 2.900 531 T HA 0.704 5.053 4.350 -0.000 0.000 0.295 531 T C -0.452 174.228 174.700 -0.033 0.000 1.044 531 T CA -0.926 61.154 62.100 -0.032 0.000 0.995 531 T CB 2.000 70.856 68.868 -0.020 0.000 1.072 531 T HN 0.032 nan 8.240 nan 0.000 0.473 532 A N 2.333 125.129 122.820 -0.039 0.000 2.805 532 A HA 0.569 4.889 4.320 -0.000 0.000 0.301 532 A C 0.220 177.803 177.584 -0.003 0.000 1.557 532 A CA -0.307 51.714 52.037 -0.027 0.000 1.254 532 A CB -0.668 18.310 19.000 -0.037 0.000 1.114 532 A HN 0.821 nan 8.150 nan 0.000 0.553 533 E N 0.915 121.113 120.200 -0.004 0.000 2.429 533 E HA 0.339 4.689 4.350 -0.000 0.000 0.276 533 E C -0.747 175.842 176.600 -0.018 0.000 0.953 533 E CA -1.196 55.205 56.400 0.002 0.000 0.787 533 E CB 1.262 30.963 29.700 0.001 0.000 1.307 533 E HN 0.508 nan 8.360 nan 0.000 0.458 534 N N 1.509 120.195 118.700 -0.023 0.000 2.725 534 N HA -0.082 4.658 4.740 -0.000 0.000 0.256 534 N C -2.752 172.681 175.510 -0.129 0.000 1.087 534 N CA 0.060 53.076 53.050 -0.057 0.000 0.690 534 N CB -0.482 37.980 38.487 -0.042 0.000 0.891 534 N HN 0.181 nan 8.380 nan 0.000 0.553 535 P HA 0.239 nan 4.420 nan 0.000 0.276 535 P C -0.469 176.667 177.300 -0.273 0.000 1.235 535 P CA -0.164 62.820 63.100 -0.192 0.000 0.772 535 P CB 1.241 32.871 31.700 -0.118 0.000 0.871 536 V N 5.310 124.960 119.914 -0.441 0.000 2.525 536 V HA 0.266 4.386 4.120 -0.000 0.000 0.299 536 V C -0.350 175.570 176.094 -0.291 0.000 1.034 536 V CA -0.718 61.325 62.300 -0.428 0.000 0.863 536 V CB 1.533 32.923 31.823 -0.722 0.000 0.999 536 V HN 0.439 nan 8.190 nan 0.000 0.423 537 F N 4.950 124.768 119.950 -0.221 0.000 2.467 537 F HA 0.667 5.194 4.527 -0.000 0.000 0.362 537 F C 0.452 176.268 175.800 0.026 0.000 1.090 537 F CA 0.106 58.048 58.000 -0.097 0.000 1.202 537 F CB 0.626 39.551 39.000 -0.125 0.000 1.113 537 F HN 0.593 nan 8.300 nan 0.000 0.541 538 A N 5.263 127.902 122.820 -0.301 0.000 2.435 538 A HA 0.787 5.106 4.320 -0.000 0.000 0.304 538 A C -1.728 175.790 177.584 -0.109 0.000 1.064 538 A CA -0.714 51.327 52.037 0.006 0.000 0.727 538 A CB 1.666 20.832 19.000 0.276 0.000 1.284 538 A HN 0.533 nan 8.150 nan 0.000 0.415 539 V N 2.204 122.074 119.914 -0.074 0.000 2.444 539 V HA 0.702 4.822 4.120 -0.000 0.000 0.294 539 V C -1.028 174.948 176.094 -0.197 0.000 1.022 539 V CA -0.269 61.878 62.300 -0.255 0.000 0.850 539 V CB 0.509 32.058 31.823 -0.457 0.000 0.992 539 V HN 0.881 nan 8.190 nan 0.000 0.426 540 F N 2.338 122.170 119.950 -0.196 0.000 2.619 540 F HA 0.788 5.314 4.527 -0.000 0.000 0.308 540 F C -0.511 175.269 175.800 -0.033 0.000 1.097 540 F CA -1.205 56.720 58.000 -0.124 0.000 0.953 540 F CB 1.442 40.381 39.000 -0.102 0.000 1.287 540 F HN 0.225 nan 8.300 nan 0.000 0.446 541 K N 0.971 121.463 120.400 0.154 0.000 2.209 541 K HA 0.217 4.537 4.320 -0.000 0.000 0.238 541 K C 0.091 176.851 176.600 0.267 0.000 1.028 541 K CA -0.617 55.768 56.287 0.163 0.000 0.935 541 K CB 0.580 33.141 32.500 0.102 0.000 1.162 541 K HN 0.645 nan 8.250 nan 0.000 0.485 542 D N 0.766 121.283 120.400 0.195 0.000 2.149 542 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 542 D C 0.501 176.856 176.300 0.092 0.000 0.990 542 D CA 1.511 55.597 54.000 0.144 0.000 0.839 542 D CB 0.028 40.861 40.800 0.056 0.000 0.948 542 D HN 0.348 nan 8.370 nan 0.000 0.460 543 N N 0.173 118.916 118.700 0.070 0.000 2.291 543 N HA 0.114 4.854 4.740 -0.000 0.000 0.244 543 N C -0.713 174.812 175.510 0.025 0.000 1.216 543 N CA 0.004 53.073 53.050 0.031 0.000 0.879 543 N CB 1.796 40.295 38.487 0.019 0.000 1.167 543 N HN 0.248 nan 8.380 nan 0.000 0.515 544 E N 0.584 120.813 120.200 0.048 0.000 2.451 544 E HA 0.254 4.604 4.350 -0.000 0.000 0.295 544 E C -1.410 175.228 176.600 0.062 0.000 0.966 544 E CA -0.389 56.034 56.400 0.038 0.000 0.808 544 E CB 1.623 31.347 29.700 0.040 0.000 1.242 544 E HN 0.007 nan 8.360 nan 0.000 0.412 545 I N 6.383 126.970 120.570 0.029 0.000 2.312 545 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 545 I C 1.230 177.352 176.117 0.007 0.000 1.031 545 I CA -0.255 61.067 61.300 0.037 0.000 1.293 545 I CB 0.779 38.784 38.000 0.009 0.000 1.403 545 I HN 0.612 nan 8.210 nan 0.000 0.484 546 L N 6.839 128.014 121.223 -0.080 0.000 1.993 546 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 546 L C -0.029 176.861 176.870 0.033 0.000 1.074 546 L CA 1.188 55.972 54.840 -0.093 0.000 0.746 546 L CB -0.312 41.572 42.059 -0.292 0.000 0.896 546 L HN 0.572 nan 8.230 nan 0.000 0.435 547 Y N -1.299 119.051 120.300 0.084 0.000 2.571 547 Y HA 0.640 5.189 4.550 -0.000 0.000 0.341 547 Y C -0.688 175.282 175.900 0.116 0.000 1.076 547 Y CA -1.454 56.694 58.100 0.081 0.000 1.029 547 Y CB 1.006 39.501 38.460 0.058 0.000 1.308 547 Y HN 0.088 nan 8.280 nan 0.000 0.461 548 Q N 0.736 120.697 119.800 0.268 0.000 2.630 548 Q HA 0.839 5.178 4.340 -0.000 0.000 0.295 548 Q C -2.382 173.722 176.000 0.174 0.000 0.944 548 Q CA -1.271 54.666 55.803 0.223 0.000 0.766 548 Q CB 2.919 31.773 28.738 0.193 0.000 1.471 548 Q HN 0.952 nan 8.270 nan 0.000 0.416 549 V N 0.741 120.739 119.914 0.141 0.000 2.891 549 V HA 0.520 4.640 4.120 -0.000 0.000 0.304 549 V C -2.855 173.240 176.094 0.002 0.000 1.171 549 V CA -1.743 60.595 62.300 0.065 0.000 0.943 549 V CB 2.657 34.509 31.823 0.048 0.000 1.037 549 V HN 0.738 nan 8.190 nan 0.000 0.427 550 P HA 0.345 nan 4.420 nan 0.000 0.271 550 P C 0.521 177.757 177.300 -0.106 0.000 1.216 550 P CA 0.047 63.099 63.100 -0.080 0.000 0.776 550 P CB 0.840 32.508 31.700 -0.053 0.000 0.881 551 L N 1.081 122.199 121.223 -0.175 0.000 2.253 551 L HA 0.162 4.502 4.340 -0.000 0.000 0.205 551 L C 1.389 178.201 176.870 -0.097 0.000 1.078 551 L CA 0.880 55.554 54.840 -0.277 0.000 0.805 551 L CB -0.346 41.362 42.059 -0.586 0.000 0.963 551 L HN 0.419 nan 8.230 nan 0.000 0.459 552 A N -0.883 121.902 122.820 -0.058 0.000 3.837 552 A HA 0.502 4.821 4.320 -0.000 0.000 0.159 552 A C -0.014 177.567 177.584 -0.005 0.000 1.157 552 A CA -0.523 51.518 52.037 0.006 0.000 0.890 552 A CB 0.443 19.456 19.000 0.021 0.000 1.553 552 A HN -0.053 nan 8.150 nan 0.000 0.642 553 E N -0.271 119.932 120.200 0.005 0.000 4.034 553 E HA 0.196 4.545 4.350 -0.000 0.000 0.297 553 E C -0.016 176.580 176.600 -0.007 0.000 1.372 553 E CA -0.227 56.175 56.400 0.002 0.000 1.555 553 E CB -0.114 29.593 29.700 0.011 0.000 1.488 553 E HN 0.500 nan 8.360 nan 0.000 0.782 554 D N 0.257 120.657 120.400 -0.001 0.000 2.216 554 D HA -0.075 4.564 4.640 -0.000 0.000 0.208 554 D C 0.479 176.781 176.300 0.002 0.000 0.960 554 D CA 0.861 54.860 54.000 -0.002 0.000 0.861 554 D CB -0.014 40.789 40.800 0.005 0.000 0.985 554 D HN 0.328 nan 8.370 nan 0.000 0.493 555 D N -0.097 120.308 120.400 0.008 0.000 2.587 555 D HA 0.018 4.658 4.640 -0.000 0.000 0.233 555 D C -0.476 175.836 176.300 0.019 0.000 1.213 555 D CA -0.193 53.815 54.000 0.012 0.000 0.827 555 D CB -0.594 40.214 40.800 0.013 0.000 1.006 555 D HN -0.220 nan 8.370 nan 0.000 0.490 556 T N 1.033 115.599 114.554 0.019 0.000 2.743 556 T HA 0.227 4.577 4.350 -0.000 0.000 0.293 556 T C 0.145 174.872 174.700 0.047 0.000 0.945 556 T CA -0.674 61.447 62.100 0.034 0.000 1.030 556 T CB 0.598 69.484 68.868 0.031 0.000 0.912 556 T HN 0.023 nan 8.240 nan 0.000 0.483 557 N N 2.242 120.987 118.700 0.074 0.000 2.492 557 N HA 0.562 5.302 4.740 -0.000 0.000 0.260 557 N C -0.400 175.211 175.510 0.168 0.000 1.215 557 N CA -0.071 53.040 53.050 0.101 0.000 0.923 557 N CB 0.659 39.211 38.487 0.109 0.000 1.092 557 N HN 0.869 nan 8.380 nan 0.000 0.448 558 A N 1.018 123.932 122.820 0.156 0.000 2.582 558 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 558 A C -0.471 177.204 177.584 0.152 0.000 1.059 558 A CA -0.522 51.627 52.037 0.188 0.000 0.705 558 A CB 1.193 20.249 19.000 0.094 0.000 1.279 558 A HN 0.523 nan 8.150 nan 0.000 0.404 559 Q N 0.651 120.580 119.800 0.214 0.000 3.062 559 Q HA 0.426 4.766 4.340 -0.000 0.000 0.214 559 Q C -0.324 175.762 176.000 0.142 0.000 1.160 559 Q CA 0.186 56.076 55.803 0.145 0.000 0.318 559 Q CB -0.002 28.827 28.738 0.152 0.000 5.730 559 Q HN 0.701 nan 8.270 nan 0.000 0.318 560 K N 0.970 121.471 120.400 0.169 0.000 2.382 560 K HA 0.293 4.613 4.320 -0.000 0.000 0.275 560 K C -0.770 175.940 176.600 0.183 0.000 1.009 560 K CA 0.374 56.783 56.287 0.202 0.000 0.970 560 K CB 0.553 33.164 32.500 0.184 0.000 0.934 560 K HN 0.484 nan 8.250 nan 0.000 0.479 561 T N -0.100 114.582 114.554 0.213 0.000 2.928 561 T HA 0.582 4.932 4.350 -0.000 0.000 0.296 561 T C -0.456 174.354 174.700 0.183 0.000 1.000 561 T CA -0.891 61.300 62.100 0.151 0.000 0.989 561 T CB 0.394 69.306 68.868 0.072 0.000 1.005 561 T HN 0.373 nan 8.240 nan 0.000 0.442 562 I N 2.965 123.639 120.570 0.173 0.000 2.439 562 I HA 0.425 4.594 4.170 -0.000 0.000 0.285 562 I C -0.248 175.936 176.117 0.113 0.000 1.021 562 I CA -0.752 60.658 61.300 0.184 0.000 1.091 562 I CB 2.266 40.382 38.000 0.193 0.000 1.242 562 I HN 0.668 nan 8.210 nan 0.000 0.439 563 T N 3.915 118.511 114.554 0.069 0.000 2.807 563 T HA 0.443 4.793 4.350 -0.000 0.000 0.279 563 T C -0.895 173.812 174.700 0.012 0.000 0.993 563 T CA -0.640 61.498 62.100 0.064 0.000 0.970 563 T CB 1.661 70.568 68.868 0.065 0.000 0.950 563 T HN 0.363 nan 8.240 nan 0.000 0.441 564 D N 1.209 121.562 120.400 -0.078 0.000 2.787 564 D HA 0.499 5.139 4.640 -0.000 0.000 0.246 564 D C -0.863 175.144 176.300 -0.488 0.000 1.150 564 D CA -0.177 53.595 54.000 -0.379 0.000 0.864 564 D CB 1.798 42.533 40.800 -0.108 0.000 1.481 564 D HN 0.518 nan 8.370 nan 0.000 0.509 565 c N 2.146 119.983 118.600 -1.271 0.000 2.614 565 c HA 0.906 5.475 4.570 -0.000 0.000 0.320 565 c C -0.634 173.270 174.090 -0.311 0.000 1.200 565 c CA -0.818 55.112 56.329 -0.665 0.000 1.700 565 c CB 0.342 42.563 42.510 -0.481 0.000 2.275 565 c HN 0.636 nan 8.230 nan 0.000 0.492 566 F N -0.851 119.018 119.950 -0.135 0.000 2.741 566 F HA 0.740 5.267 4.527 -0.000 0.000 0.311 566 F C -1.726 174.116 175.800 0.071 0.000 1.149 566 F CA -1.385 56.604 58.000 -0.018 0.000 0.930 566 F CB 0.387 39.365 39.000 -0.036 0.000 1.312 566 F HN 0.320 nan 8.300 nan 0.000 0.450 567 L N 2.075 123.456 121.223 0.264 0.000 2.357 567 L HA 0.508 4.848 4.340 -0.000 0.000 0.273 567 L C -0.077 176.968 176.870 0.293 0.000 1.080 567 L CA -0.558 54.400 54.840 0.196 0.000 0.803 567 L CB 1.673 43.816 42.059 0.140 0.000 1.174 567 L HN 0.893 nan 8.230 nan 0.000 0.443 568 L N 1.324 122.692 121.223 0.242 0.000 3.031 568 L HA 0.237 4.577 4.340 -0.000 0.000 0.167 568 L C 0.979 177.918 176.870 0.115 0.000 1.203 568 L CA 0.522 55.471 54.840 0.182 0.000 0.857 568 L CB 0.383 42.515 42.059 0.121 0.000 1.368 568 L HN 0.604 nan 8.230 nan 0.000 0.534 569 E N 0.225 120.504 120.200 0.130 0.000 2.651 569 E HA 0.175 4.525 4.350 -0.000 0.000 0.213 569 E C 0.027 176.674 176.600 0.079 0.000 1.028 569 E CA 0.089 56.541 56.400 0.087 0.000 1.183 569 E CB -0.373 29.375 29.700 0.081 0.000 1.188 569 E HN 0.376 nan 8.360 nan 0.000 0.444 570 N N -0.225 118.525 118.700 0.082 0.000 2.878 570 N HA -0.151 4.589 4.740 -0.000 0.000 0.247 570 N C -1.040 174.502 175.510 0.053 0.000 1.021 570 N CA 0.807 53.894 53.050 0.061 0.000 0.873 570 N CB -0.676 37.835 38.487 0.040 0.000 1.128 570 N HN 0.105 nan 8.380 nan 0.000 0.571 571 V N 2.347 122.315 119.914 0.089 0.000 2.427 571 V HA 0.426 4.546 4.120 -0.000 0.000 0.286 571 V C 1.076 177.189 176.094 0.033 0.000 1.034 571 V CA -0.540 61.781 62.300 0.036 0.000 0.893 571 V CB 1.711 33.567 31.823 0.056 0.000 0.982 571 V HN 0.063 nan 8.190 nan 0.000 0.452 572 I N 3.967 124.477 120.570 -0.100 0.000 2.471 572 I HA 0.159 4.328 4.170 -0.000 0.000 0.286 572 I C -0.521 175.393 176.117 -0.338 0.000 1.079 572 I CA 0.399 61.613 61.300 -0.142 0.000 1.398 572 I CB 0.512 38.443 38.000 -0.116 0.000 1.403 572 I HN 0.584 nan 8.210 nan 0.000 0.530 573 W N 5.379 126.368 121.300 -0.517 0.000 2.761 573 W HA 0.521 5.181 4.660 -0.000 0.000 0.340 573 W C -0.821 175.236 176.519 -0.770 0.000 1.072 573 W CA -0.217 56.738 57.345 -0.650 0.000 1.215 573 W CB 1.737 30.698 29.460 -0.831 0.000 1.420 573 W HN 0.316 nan 8.180 nan 0.000 0.519 574 c N 3.396 121.883 118.600 -0.188 0.000 2.498 574 c HA 0.643 5.213 4.570 -0.000 0.000 0.316 574 c C -0.100 174.022 174.090 0.054 0.000 1.209 574 c CA -0.801 55.472 56.329 -0.092 0.000 1.518 574 c CB 0.195 42.755 42.510 0.085 0.000 2.147 574 c HN 0.414 nan 8.230 nan 0.000 0.483 575 I N 2.375 123.022 120.570 0.128 0.000 2.377 575 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 575 I C -0.002 176.190 176.117 0.125 0.000 0.987 575 I CA 0.358 61.739 61.300 0.137 0.000 1.185 575 I CB 1.536 39.619 38.000 0.138 0.000 1.341 575 I HN 0.585 nan 8.210 nan 0.000 0.455 576 S N 6.767 122.558 115.700 0.152 0.000 2.707 576 S HA 0.435 4.905 4.470 -0.000 0.000 0.303 576 S C -0.585 174.123 174.600 0.180 0.000 1.132 576 S CA -0.500 57.812 58.200 0.187 0.000 1.046 576 S CB 1.455 64.819 63.200 0.272 0.000 1.004 576 S HN 0.470 nan 8.310 nan 0.000 0.483 577 L N 5.207 126.504 121.223 0.122 0.000 2.278 577 L HA 0.606 4.946 4.340 -0.000 0.000 0.287 577 L C -1.262 175.694 176.870 0.143 0.000 1.072 577 L CA -0.249 54.652 54.840 0.102 0.000 0.819 577 L CB 0.400 42.507 42.059 0.080 0.000 1.176 577 L HN 0.383 nan 8.230 nan 0.000 0.435 578 V N 5.156 125.172 119.914 0.172 0.000 2.407 578 V HA 0.278 4.397 4.120 -0.000 0.000 0.291 578 V C -0.077 176.077 176.094 0.100 0.000 1.018 578 V CA -0.788 61.605 62.300 0.157 0.000 0.842 578 V CB 1.548 33.493 31.823 0.204 0.000 0.996 578 V HN 0.714 nan 8.190 nan 0.000 0.426 579 E N 4.953 125.201 120.200 0.079 0.000 2.417 579 E HA 0.359 4.708 4.350 -0.000 0.000 0.261 579 E C -0.843 175.729 176.600 -0.047 0.000 1.000 579 E CA 0.339 56.744 56.400 0.008 0.000 0.919 579 E CB 0.822 30.613 29.700 0.152 0.000 0.955 579 E HN 0.495 nan 8.360 nan 0.000 0.455 580 I N 3.135 123.512 120.570 -0.322 0.000 2.656 580 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 580 I C -1.229 174.550 176.117 -0.564 0.000 1.144 580 I CA -0.829 60.329 61.300 -0.237 0.000 1.038 580 I CB 1.598 39.564 38.000 -0.056 0.000 1.244 580 I HN 0.488 nan 8.210 nan 0.000 0.420 581 Y N 3.068 123.385 120.300 0.029 0.000 2.748 581 Y HA 0.282 4.831 4.550 -0.000 0.000 0.359 581 Y C -0.015 175.895 175.900 0.017 0.000 1.030 581 Y CA -0.893 57.218 58.100 0.019 0.000 1.169 581 Y CB 0.431 38.898 38.460 0.012 0.000 1.127 581 Y HN 0.407 nan 8.280 nan 0.000 0.644 582 D N 1.422 121.864 120.400 0.069 0.000 2.455 582 D HA -0.052 4.588 4.640 -0.000 0.000 0.241 582 D C 0.351 176.688 176.300 0.061 0.000 1.138 582 D CA 0.546 54.579 54.000 0.055 0.000 0.877 582 D CB 1.458 42.272 40.800 0.024 0.000 1.187 582 D HN 0.311 nan 8.370 nan 0.000 0.451 583 T N 0.978 115.563 114.554 0.051 0.000 2.779 583 T HA 0.386 4.736 4.350 -0.000 0.000 0.296 583 T C 0.685 175.403 174.700 0.030 0.000 0.938 583 T CA 0.487 62.612 62.100 0.042 0.000 1.119 583 T CB 0.099 68.987 68.868 0.034 0.000 0.891 583 T HN 0.565 nan 8.240 nan 0.000 0.526 584 G N 4.282 113.099 108.800 0.028 0.000 2.520 584 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.264 584 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.264 584 G C -0.729 174.181 174.900 0.016 0.000 1.140 584 G CA -0.403 44.708 45.100 0.019 0.000 1.012 584 G HN 0.780 nan 8.290 nan 0.000 0.511 585 D N -0.378 120.034 120.400 0.021 0.000 2.593 585 D HA 0.579 5.219 4.640 -0.000 0.000 0.251 585 D C 1.416 177.723 176.300 0.013 0.000 1.140 585 D CA 0.157 54.164 54.000 0.012 0.000 0.855 585 D CB 1.513 42.319 40.800 0.011 0.000 1.267 585 D HN 0.233 nan 8.370 nan 0.000 0.532 586 S N 0.804 116.507 115.700 0.004 0.000 2.371 586 S HA -0.024 4.445 4.470 -0.000 0.000 0.224 586 S C 0.806 175.407 174.600 0.002 0.000 1.029 586 S CA 0.340 58.542 58.200 0.003 0.000 0.978 586 S CB 0.127 63.326 63.200 -0.002 0.000 0.833 586 S HN 0.238 nan 8.310 nan 0.000 0.466 587 V N 2.460 122.370 119.914 -0.007 0.000 2.350 587 V HA 0.464 4.584 4.120 -0.000 0.000 0.285 587 V C -0.822 175.259 176.094 -0.021 0.000 1.014 587 V CA -0.730 61.561 62.300 -0.015 0.000 0.831 587 V CB 0.969 32.777 31.823 -0.025 0.000 1.000 587 V HN 0.304 nan 8.190 nan 0.000 0.433 588 I N 6.820 127.382 120.570 -0.014 0.000 2.322 588 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 588 I C 0.524 176.590 176.117 -0.084 0.000 1.060 588 I CA 0.421 61.697 61.300 -0.041 0.000 1.309 588 I CB 0.386 38.408 38.000 0.036 0.000 1.415 588 I HN 0.727 nan 8.210 nan 0.000 0.492 589 R N 6.026 126.458 120.500 -0.112 0.000 2.808 589 R HA 0.805 5.145 4.340 -0.000 0.000 0.272 589 R C -3.050 173.186 176.300 -0.106 0.000 0.995 589 R CA -1.895 54.150 56.100 -0.092 0.000 0.917 589 R CB 0.882 31.161 30.300 -0.035 0.000 1.217 589 R HN 0.111 nan 8.270 nan 0.000 0.471 590 P HA 0.126 nan 4.420 nan 0.000 0.272 590 P C -1.197 176.101 177.300 -0.004 0.000 1.240 590 P CA -0.451 62.629 63.100 -0.032 0.000 0.791 590 P CB 0.505 32.230 31.700 0.042 0.000 0.978 591 K N 1.120 121.511 120.400 -0.015 0.000 2.270 591 K HA 0.511 4.831 4.320 -0.000 0.000 0.255 591 K C -1.019 175.475 176.600 -0.177 0.000 0.936 591 K CA -0.798 55.416 56.287 -0.122 0.000 0.809 591 K CB 1.171 33.570 32.500 -0.168 0.000 1.131 591 K HN 0.208 nan 8.250 nan 0.000 0.427 592 L N 3.771 124.777 121.223 -0.361 0.000 2.280 592 L HA 0.435 4.774 4.340 -0.000 0.000 0.287 592 L C -0.914 175.722 176.870 -0.390 0.000 1.023 592 L CA -0.087 54.544 54.840 -0.349 0.000 0.819 592 L CB 0.327 41.988 42.059 -0.663 0.000 1.212 592 L HN 0.465 nan 8.230 nan 0.000 0.420 593 F N 1.956 121.853 119.950 -0.088 0.000 2.458 593 F HA 0.768 5.295 4.527 -0.000 0.000 0.330 593 F C 0.456 176.221 175.800 -0.058 0.000 1.082 593 F CA -0.732 57.227 58.000 -0.068 0.000 0.995 593 F CB 1.680 40.638 39.000 -0.071 0.000 1.170 593 F HN 0.453 nan 8.300 nan 0.000 0.478 594 A N 2.302 125.213 122.820 0.151 0.000 2.304 594 A HA 0.786 5.105 4.320 -0.000 0.000 0.314 594 A C -1.443 176.233 177.584 0.154 0.000 1.187 594 A CA -0.624 51.522 52.037 0.180 0.000 0.810 594 A CB 0.915 20.030 19.000 0.191 0.000 1.183 594 A HN 0.532 nan 8.150 nan 0.000 0.487 595 V N 2.999 122.910 119.914 -0.006 0.000 2.531 595 V HA 0.371 4.491 4.120 -0.000 0.000 0.301 595 V C 0.115 175.898 176.094 -0.519 0.000 1.034 595 V CA -0.832 61.270 62.300 -0.330 0.000 0.865 595 V CB 1.733 33.082 31.823 -0.791 0.000 0.995 595 V HN 0.914 nan 8.190 nan 0.000 0.424 596 K N 4.971 124.865 120.400 -0.844 0.000 2.297 596 K HA 0.393 4.712 4.320 -0.000 0.000 0.286 596 K C -0.632 175.610 176.600 -0.596 0.000 1.053 596 K CA -0.602 54.971 56.287 -1.191 0.000 0.940 596 K CB 0.653 32.413 32.500 -1.233 0.000 1.019 596 K HN 0.481 nan 8.250 nan 0.000 0.475 597 I N 6.950 127.236 120.570 -0.473 0.000 2.416 597 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 597 I C -1.946 174.043 176.117 -0.212 0.000 1.051 597 I CA -2.830 58.346 61.300 -0.207 0.000 1.375 597 I CB 0.446 38.387 38.000 -0.097 0.000 1.407 597 I HN 0.530 nan 8.210 nan 0.000 0.516 598 P HA 0.314 nan 4.420 nan 0.000 0.278 598 P C 0.131 177.346 177.300 -0.142 0.000 1.238 598 P CA -0.403 62.577 63.100 -0.200 0.000 0.794 598 P CB 1.287 32.822 31.700 -0.276 0.000 0.955 599 A N 2.127 124.874 122.820 -0.121 0.000 1.871 599 A HA 0.017 4.337 4.320 -0.000 0.000 0.211 599 A C 0.941 178.479 177.584 -0.076 0.000 1.207 599 A CA 1.072 53.061 52.037 -0.079 0.000 0.620 599 A CB -0.696 18.265 19.000 -0.064 0.000 0.860 599 A HN 0.583 nan 8.150 nan 0.000 0.450 600 Q N -1.780 117.966 119.800 -0.090 0.000 2.260 600 Q HA 0.403 4.743 4.340 -0.000 0.000 0.238 600 Q C 0.339 176.266 176.000 -0.121 0.000 0.948 600 Q CA -0.049 55.705 55.803 -0.083 0.000 0.895 600 Q CB 1.250 29.947 28.738 -0.069 0.000 1.218 600 Q HN 0.425 nan 8.270 nan 0.000 0.470 601 c N -0.243 118.298 118.600 -0.098 0.000 2.912 601 c HA 0.172 4.742 4.570 -0.000 0.000 0.274 601 c C 0.824 174.854 174.090 -0.100 0.000 1.248 601 c CA -0.023 56.233 56.329 -0.121 0.000 1.694 601 c CB -0.747 41.725 42.510 -0.064 0.000 2.024 601 c HN 0.846 nan 8.230 nan 0.000 0.605 602 S N 0.244 115.898 115.700 -0.076 0.000 2.713 602 S HA 0.600 5.070 4.470 -0.000 0.000 0.277 602 S C -0.408 174.150 174.600 -0.070 0.000 1.168 602 S CA -0.079 58.085 58.200 -0.060 0.000 0.994 602 S CB 1.147 64.323 63.200 -0.041 0.000 1.054 602 S HN 0.470 nan 8.310 nan 0.000 0.555 603 E N 0.000 120.168 120.200 -0.054 0.000 2.725 603 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 603 E CA 0.000 56.368 56.400 -0.053 0.000 0.976 603 E CB 0.000 29.668 29.700 -0.054 0.000 0.812 603 E HN 0.000 nan 8.360 nan 0.000 0.440