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 2oay_1_A DATA FIRST_RESID 101 DATA SEQUENCE cPXXVTLcSD LESHSTEAVL GDALVDFSLK LYHAFSAXXX XETNMAFSPF DATA SEQUENCE SIASLLTQVL LGAGENTKTN LESILSYPKD FTcVHQALKG FTTKGVTSVS DATA SEQUENCE QIFHSPDLAI RDTFVNASRT LYSSSPRVLS NNSDANLELI NTWVAKNTNN DATA SEQUENCE KISRLLDSLP SDTRLVLLNA IYLSAKWKTT FDPKKTRMEP FHFXXSVIKV DATA SEQUENCE PMMNSKKYPV AHFIDQTLKA KVGQLQLSHN LSLVILVPQN LKHRLEDMEQ DATA SEQUENCE ALSPSVFKAI MEKLEMSKFQ PTLLTLPRIK VTTSQDMLSI MEKLEFFDFS DATA SEQUENCE YDLNLcGLTE DPDLQVSAMQ HQTVLELTET GVEAAAASAI SVARTLLVFE DATA SEQUENCE VQQPFLFMLW DQQHKFPVFM GRVYDP 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 101 c HA 0.000 nan 4.570 nan 0.000 0.325 101 c C 0.000 174.095 174.090 0.008 0.000 1.270 101 c CA 0.000 56.335 56.329 0.010 0.000 1.963 101 c CB 0.000 42.516 42.510 0.010 0.000 2.134 106 T N -1.152 113.346 114.554 -0.093 0.000 3.245 106 T HA 0.335 4.685 4.350 0.001 0.000 0.434 106 T C -0.070 174.591 174.700 -0.064 0.000 0.770 106 T CA 1.656 63.700 62.100 -0.095 0.000 2.278 106 T CB -1.664 nan 68.868 nan 0.000 1.692 106 T HN 2.451 nan 8.240 nan 0.000 0.677 107 L N 0.654 121.843 121.223 -0.057 0.000 3.076 107 L HA 0.671 5.012 4.340 0.001 0.000 0.271 107 L C 1.992 178.838 176.870 -0.040 0.000 1.152 107 L CA 0.659 55.475 54.840 -0.039 0.000 0.996 107 L CB -0.554 41.491 42.059 -0.024 0.000 1.453 107 L HN 1.466 nan 8.230 nan 0.000 0.571 108 c N 0.685 119.253 118.600 -0.053 0.000 2.492 108 c HA 0.527 5.098 4.570 0.001 0.000 0.362 108 c C 1.923 175.983 174.090 -0.051 0.000 1.207 108 c CA 0.766 57.063 56.329 -0.054 0.000 1.626 108 c CB -0.965 41.498 42.510 -0.078 0.000 2.239 108 c HN 0.596 nan 8.230 nan 0.000 0.547 109 S N 2.620 118.299 115.700 -0.036 0.000 2.514 109 S HA 0.144 4.615 4.470 0.001 0.000 0.223 109 S C -0.225 174.362 174.600 -0.022 0.000 1.046 109 S CA 0.293 58.474 58.200 -0.031 0.000 0.914 109 S CB 0.122 63.308 63.200 -0.024 0.000 0.807 109 S HN 0.868 nan 8.310 nan 0.000 0.497 110 D N 1.005 121.397 120.400 -0.015 0.000 2.505 110 D HA 0.454 5.094 4.640 0.001 0.000 0.250 110 D C -1.348 174.953 176.300 0.001 0.000 1.164 110 D CA -0.266 53.732 54.000 -0.004 0.000 0.870 110 D CB 1.765 42.567 40.800 0.004 0.000 1.160 110 D HN -0.003 nan 8.370 nan 0.000 0.549 111 L N 2.264 123.487 121.223 0.001 0.000 2.295 111 L HA 0.354 4.695 4.340 0.001 0.000 0.281 111 L C -0.597 176.288 176.870 0.026 0.000 1.018 111 L CA -0.411 54.434 54.840 0.009 0.000 0.841 111 L CB 1.108 43.162 42.059 -0.009 0.000 1.218 111 L HN 0.245 nan 8.230 nan 0.000 0.424 112 E N 2.179 122.407 120.200 0.047 0.000 2.130 112 E HA 0.156 4.507 4.350 0.001 0.000 0.284 112 E C 0.611 177.254 176.600 0.072 0.000 1.018 112 E CA 0.317 56.754 56.400 0.061 0.000 0.817 112 E CB 1.483 31.229 29.700 0.077 0.000 1.078 112 E HN 0.770 nan 8.360 nan 0.000 0.396 113 S N 3.778 119.497 115.700 0.031 0.000 2.406 113 S HA -0.095 4.375 4.470 0.001 0.000 0.224 113 S C 1.432 176.057 174.600 0.040 0.000 1.030 113 S CA 0.747 58.957 58.200 0.016 0.000 0.958 113 S CB -0.379 62.795 63.200 -0.043 0.000 0.811 113 S HN 0.676 nan 8.310 nan 0.000 0.489 114 H N 2.099 121.221 119.070 0.086 0.000 2.319 114 H HA -0.058 4.498 4.556 0.001 0.000 0.299 114 H C 2.798 178.183 175.328 0.095 0.000 1.092 114 H CA 2.118 58.216 56.048 0.083 0.000 1.302 114 H CB -0.185 29.611 29.762 0.057 0.000 1.373 114 H HN 0.650 nan 8.280 nan 0.000 0.497 115 S N -0.091 115.739 115.700 0.216 0.000 2.362 115 S HA -0.162 4.308 4.470 0.001 0.000 0.221 115 S C 2.345 177.020 174.600 0.125 0.000 1.032 115 S CA 1.418 59.702 58.200 0.140 0.000 0.973 115 S CB -0.689 62.569 63.200 0.098 0.000 0.849 115 S HN 0.595 nan 8.310 nan 0.000 0.465 116 T N -0.342 114.306 114.554 0.156 0.000 2.915 116 T HA 0.029 4.380 4.350 0.001 0.000 0.269 116 T C 1.685 176.540 174.700 0.259 0.000 1.071 116 T CA 1.186 63.425 62.100 0.232 0.000 1.132 116 T CB -0.587 68.440 68.868 0.265 0.000 0.878 116 T HN 0.516 nan 8.240 nan 0.000 0.479 117 E N 1.371 121.731 120.200 0.267 0.000 2.072 117 E HA -0.025 4.325 4.350 0.001 0.000 0.191 117 E C 2.667 179.488 176.600 0.369 0.000 0.985 117 E CA 1.142 57.789 56.400 0.412 0.000 0.801 117 E CB -0.338 29.582 29.700 0.366 0.000 0.750 117 E HN 0.704 nan 8.360 nan 0.000 0.452 118 A N 1.030 123.992 122.820 0.237 0.000 1.898 118 A HA -0.120 4.200 4.320 0.001 0.000 0.216 118 A C 2.523 180.198 177.584 0.151 0.000 1.181 118 A CA 1.052 53.203 52.037 0.190 0.000 0.620 118 A CB -0.660 18.422 19.000 0.136 0.000 0.819 118 A HN 0.099 nan 8.150 nan 0.000 0.442 119 V N -0.224 119.725 119.914 0.058 0.000 2.287 119 V HA -0.239 3.881 4.120 0.001 0.000 0.248 119 V C 2.514 178.612 176.094 0.007 0.000 1.053 119 V CA 2.093 64.337 62.300 -0.093 0.000 1.027 119 V CB -0.728 30.819 31.823 -0.459 0.000 0.646 119 V HN 0.606 nan 8.190 nan 0.000 0.447 120 L N 1.169 122.479 121.223 0.145 0.000 2.027 120 L HA 0.050 4.390 4.340 0.001 0.000 0.206 120 L C 2.369 179.406 176.870 0.279 0.000 1.074 120 L CA 2.432 57.393 54.840 0.202 0.000 0.745 120 L CB -1.440 40.618 42.059 -0.002 0.000 0.898 120 L HN 0.259 nan 8.230 nan 0.000 0.433 121 G N -1.010 108.053 108.800 0.438 0.000 2.446 121 G HA2 -0.393 3.568 3.960 0.001 0.000 0.217 121 G HA3 -0.393 3.568 3.960 0.001 0.000 0.217 121 G C 1.333 176.440 174.900 0.346 0.000 1.168 121 G CA 1.047 46.419 45.100 0.454 0.000 0.771 121 G HN 0.503 nan 8.290 nan 0.000 0.551 122 D N 0.383 120.949 120.400 0.276 0.000 2.144 122 D HA 0.057 4.697 4.640 0.001 0.000 0.199 122 D C 2.688 179.121 176.300 0.222 0.000 0.984 122 D CA 1.352 55.495 54.000 0.237 0.000 0.834 122 D CB -0.258 40.642 40.800 0.167 0.000 0.955 122 D HN 0.258 nan 8.370 nan 0.000 0.465 123 A N -0.249 122.706 122.820 0.225 0.000 1.930 123 A HA -0.039 4.281 4.320 0.001 0.000 0.217 123 A C 2.250 180.000 177.584 0.276 0.000 1.175 123 A CA 0.801 52.988 52.037 0.250 0.000 0.627 123 A CB -0.638 18.585 19.000 0.372 0.000 0.815 123 A HN 0.334 nan 8.150 nan 0.000 0.443 124 L N -0.768 120.633 121.223 0.298 0.000 2.156 124 L HA -0.101 4.239 4.340 0.001 0.000 0.208 124 L C 2.452 179.523 176.870 0.336 0.000 1.095 124 L CA 0.531 55.569 54.840 0.329 0.000 0.770 124 L CB -0.432 41.778 42.059 0.252 0.000 0.914 124 L HN 0.215 nan 8.230 nan 0.000 0.439 125 V N 0.008 120.102 119.914 0.301 0.000 2.255 125 V HA -0.317 3.803 4.120 0.001 0.000 0.247 125 V C 2.119 178.251 176.094 0.063 0.000 1.051 125 V CA 2.092 64.505 62.300 0.188 0.000 1.018 125 V CB -0.460 31.517 31.823 0.257 0.000 0.641 125 V HN 0.432 nan 8.190 nan 0.000 0.445 126 D N -0.671 119.806 120.400 0.129 0.000 2.117 126 D HA -0.176 4.465 4.640 0.001 0.000 0.197 126 D C 1.840 178.214 176.300 0.123 0.000 0.987 126 D CA 1.272 55.334 54.000 0.103 0.000 0.829 126 D CB -0.344 40.535 40.800 0.132 0.000 0.961 126 D HN 0.454 nan 8.370 nan 0.000 0.460 127 F N 1.665 121.639 119.950 0.041 0.000 2.146 127 F HA -0.145 4.383 4.527 0.001 0.000 0.298 127 F C 2.349 178.190 175.800 0.068 0.000 1.096 127 F CA 1.103 59.119 58.000 0.027 0.000 1.275 127 F CB -0.357 38.641 39.000 -0.003 0.000 1.008 127 F HN -0.182 nan 8.300 nan 0.000 0.480 128 S N 0.988 116.695 115.700 0.012 0.000 2.383 128 S HA -0.190 4.281 4.470 0.001 0.000 0.229 128 S C 2.161 176.720 174.600 -0.068 0.000 1.030 128 S CA 1.678 59.866 58.200 -0.020 0.000 1.002 128 S CB -0.588 62.665 63.200 0.090 0.000 0.829 128 S HN 0.400 nan 8.310 nan 0.000 0.467 129 L N 0.838 121.983 121.223 -0.130 0.000 2.109 129 L HA -0.037 4.303 4.340 0.001 0.000 0.207 129 L C 2.450 179.281 176.870 -0.065 0.000 1.086 129 L CA 1.021 55.755 54.840 -0.177 0.000 0.760 129 L CB -0.376 41.587 42.059 -0.160 0.000 0.910 129 L HN 0.224 nan 8.230 nan 0.000 0.437 130 K N -0.171 120.216 120.400 -0.022 0.000 2.032 130 K HA -0.212 4.108 4.320 0.001 0.000 0.209 130 K C 2.057 178.606 176.600 -0.086 0.000 1.048 130 K CA 1.214 57.507 56.287 0.009 0.000 0.927 130 K CB -0.259 32.229 32.500 -0.020 0.000 0.712 130 K HN 0.059 nan 8.250 nan 0.000 0.441 131 L N 0.396 121.447 121.223 -0.286 0.000 2.017 131 L HA -0.187 4.153 4.340 0.001 0.000 0.208 131 L C 2.214 178.976 176.870 -0.180 0.000 1.073 131 L CA 1.591 56.217 54.840 -0.357 0.000 0.745 131 L CB -0.756 40.964 42.059 -0.565 0.000 0.894 131 L HN 0.162 nan 8.230 nan 0.000 0.432 132 Y N -0.366 119.862 120.300 -0.120 0.000 2.114 132 Y HA -0.363 4.187 4.550 0.000 0.000 0.282 132 Y C 2.672 178.513 175.900 -0.099 0.000 1.165 132 Y CA 2.311 60.395 58.100 -0.026 0.000 1.148 132 Y CB -0.254 38.157 38.460 -0.081 0.000 0.972 132 Y HN 0.411 nan 8.280 nan 0.000 0.504 133 H N -1.358 117.836 119.070 0.208 0.000 2.389 133 H HA -0.031 4.525 4.556 0.001 0.000 0.299 133 H C 2.257 177.592 175.328 0.011 0.000 1.081 133 H CA 0.794 56.913 56.048 0.118 0.000 1.345 133 H CB -0.148 29.673 29.762 0.099 0.000 1.393 133 H HN 0.442 nan 8.280 nan 0.000 0.520 134 A N 0.315 123.187 122.820 0.086 0.000 2.015 134 A HA -0.140 4.180 4.320 0.001 0.000 0.219 134 A C 2.070 179.659 177.584 0.008 0.000 1.163 134 A CA 0.940 52.983 52.037 0.010 0.000 0.646 134 A CB -0.730 18.236 19.000 -0.056 0.000 0.806 134 A HN 0.539 nan 8.150 nan 0.000 0.448 135 F N 0.491 120.288 119.950 -0.255 0.000 2.219 135 F HA -0.017 4.510 4.527 0.001 0.000 0.294 135 F C 1.004 176.635 175.800 -0.282 0.000 1.086 135 F CA 0.576 58.379 58.000 -0.329 0.000 1.330 135 F CB 0.274 38.943 39.000 -0.553 0.000 1.047 135 F HN 0.114 nan 8.300 nan 0.000 0.495 136 S N 1.798 117.403 115.700 -0.159 0.000 3.544 136 S HA 0.439 4.909 4.470 0.001 0.000 0.227 136 S C -0.073 174.484 174.600 -0.073 0.000 1.387 136 S CA 0.066 58.143 58.200 -0.205 0.000 1.182 136 S CB -0.608 62.441 63.200 -0.251 0.000 1.243 136 S HN 0.420 nan 8.310 nan 0.000 0.467 143 T N 0.740 115.063 114.554 -0.384 0.000 2.590 143 T HA 0.409 4.760 4.350 0.001 0.000 0.282 143 T C -1.185 173.241 174.700 -0.457 0.000 0.989 143 T CA -0.535 61.308 62.100 -0.428 0.000 1.091 143 T CB 1.275 69.851 68.868 -0.487 0.000 1.460 143 T HN 0.262 nan 8.240 nan 0.000 0.499 144 N N 1.354 119.652 118.700 -0.671 0.000 2.419 144 N HA 0.620 5.360 4.740 0.001 0.000 0.277 144 N C -0.776 174.565 175.510 -0.281 0.000 1.006 144 N CA -0.272 52.500 53.050 -0.463 0.000 0.923 144 N CB 1.417 39.581 38.487 -0.539 0.000 1.140 144 N HN 0.471 nan 8.380 nan 0.000 0.488 145 M N 0.381 119.879 119.600 -0.169 0.000 2.949 145 M HA 0.774 5.255 4.480 0.001 0.000 0.270 145 M C -1.966 174.360 176.300 0.043 0.000 1.221 145 M CA -1.044 54.211 55.300 -0.074 0.000 0.818 145 M CB 1.376 33.776 32.600 -0.333 0.000 1.635 145 M HN 0.347 nan 8.290 nan 0.000 0.492 146 A N 0.648 123.593 122.820 0.210 0.000 2.572 146 A HA 0.990 5.311 4.320 0.001 0.000 0.295 146 A C -1.643 176.263 177.584 0.537 0.000 1.072 146 A CA -0.698 51.507 52.037 0.281 0.000 0.691 146 A CB 1.253 20.467 19.000 0.356 0.000 1.291 146 A HN 1.780 nan 8.150 nan 0.000 0.404 147 F N -0.989 119.198 119.950 0.395 0.000 2.741 147 F HA 0.802 5.329 4.527 0.000 0.000 0.313 147 F C -0.389 175.654 175.800 0.405 0.000 1.153 147 F CA -0.664 57.651 58.000 0.524 0.000 0.931 147 F CB 1.535 40.839 39.000 0.505 0.000 1.335 147 F HN 0.556 nan 8.300 nan 0.000 0.460 148 S N 2.590 118.561 115.700 0.451 0.000 2.532 148 S HA 0.421 4.892 4.470 0.001 0.000 0.318 148 S C -1.767 172.921 174.600 0.146 0.000 1.083 148 S CA -1.739 56.424 58.200 -0.062 0.000 1.131 148 S CB 0.775 63.772 63.200 -0.338 0.000 0.973 148 S HN 0.539 nan 8.310 nan 0.000 0.468 149 P HA -0.119 nan 4.420 nan 0.000 0.218 149 P C 1.260 178.798 177.300 0.396 0.000 1.148 149 P CA 0.790 64.103 63.100 0.356 0.000 0.822 149 P CB -0.027 31.874 31.700 0.335 0.000 0.784 150 F N 1.348 121.401 119.950 0.172 0.000 2.146 150 F HA -0.093 4.435 4.527 0.001 0.000 0.298 150 F C 2.585 178.442 175.800 0.094 0.000 1.096 150 F CA 1.582 59.674 58.000 0.154 0.000 1.275 150 F CB -0.881 38.275 39.000 0.260 0.000 1.008 150 F HN -0.096 nan 8.300 nan 0.000 0.480 151 S N 0.310 116.026 115.700 0.027 0.000 2.368 151 S HA -0.162 4.309 4.470 0.001 0.000 0.225 151 S C 2.160 176.735 174.600 -0.042 0.000 1.030 151 S CA 1.678 59.851 58.200 -0.045 0.000 0.999 151 S CB -0.584 62.709 63.200 0.155 0.000 0.844 151 S HN 0.436 nan 8.310 nan 0.000 0.459 152 I N 1.603 122.177 120.570 0.007 0.000 2.202 152 I HA -0.093 4.078 4.170 0.001 0.000 0.242 152 I C 2.878 178.985 176.117 -0.016 0.000 1.091 152 I CA 1.057 62.362 61.300 0.008 0.000 1.368 152 I CB -0.562 37.452 38.000 0.024 0.000 1.058 152 I HN 0.386 nan 8.210 nan 0.000 0.410 153 A N 0.143 122.958 122.820 -0.010 0.000 1.940 153 A HA -0.207 4.113 4.320 0.001 0.000 0.219 153 A C 2.476 179.919 177.584 -0.236 0.000 1.176 153 A CA 2.303 54.178 52.037 -0.269 0.000 0.631 153 A CB -0.696 18.201 19.000 -0.173 0.000 0.814 153 A HN 0.406 nan 8.150 nan 0.000 0.446 154 S N -0.635 114.906 115.700 -0.265 0.000 2.355 154 S HA -0.102 4.368 4.470 0.001 0.000 0.222 154 S C 1.855 176.371 174.600 -0.141 0.000 1.031 154 S CA 1.281 59.323 58.200 -0.264 0.000 0.993 154 S CB -0.426 62.517 63.200 -0.428 0.000 0.859 154 S HN 0.491 nan 8.310 nan 0.000 0.453 155 L N 2.054 123.209 121.223 -0.112 0.000 2.017 155 L HA 0.008 4.348 4.340 0.001 0.000 0.208 155 L C 1.949 178.783 176.870 -0.059 0.000 1.073 155 L CA 1.665 56.465 54.840 -0.067 0.000 0.745 155 L CB -0.688 41.358 42.059 -0.023 0.000 0.894 155 L HN 0.281 nan 8.230 nan 0.000 0.432 156 L N -1.297 119.867 121.223 -0.100 0.000 2.141 156 L HA -0.172 4.168 4.340 0.001 0.000 0.209 156 L C 2.199 179.015 176.870 -0.090 0.000 1.094 156 L CA 1.485 56.248 54.840 -0.128 0.000 0.763 156 L CB -0.873 41.036 42.059 -0.250 0.000 0.908 156 L HN 0.290 nan 8.230 nan 0.000 0.437 157 T N -1.372 113.148 114.554 -0.058 0.000 2.951 157 T HA -0.207 4.144 4.350 0.001 0.000 0.268 157 T C 1.801 176.617 174.700 0.195 0.000 1.073 157 T CA 0.920 63.061 62.100 0.068 0.000 1.134 157 T CB 0.011 68.908 68.868 0.049 0.000 0.884 157 T HN 0.350 nan 8.240 nan 0.000 0.479 158 Q N 0.670 120.549 119.800 0.132 0.000 2.046 158 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 158 Q C 2.314 178.423 176.000 0.182 0.000 0.975 158 Q CA 1.176 57.089 55.803 0.184 0.000 0.836 158 Q CB -0.172 28.575 28.738 0.016 0.000 0.896 158 Q HN 0.332 nan 8.270 nan 0.000 0.428 159 V N 1.408 121.372 119.914 0.084 0.000 2.332 159 V HA -0.285 3.835 4.120 0.001 0.000 0.248 159 V C 2.366 178.510 176.094 0.083 0.000 1.055 159 V CA 1.692 64.027 62.300 0.058 0.000 1.038 159 V CB -0.703 31.130 31.823 0.017 0.000 0.651 159 V HN 0.444 nan 8.190 nan 0.000 0.450 160 L N -0.293 120.984 121.223 0.089 0.000 2.131 160 L HA -0.139 4.201 4.340 0.001 0.000 0.210 160 L C 2.159 179.138 176.870 0.182 0.000 1.092 160 L CA 1.759 56.667 54.840 0.113 0.000 0.759 160 L CB -0.614 41.516 42.059 0.118 0.000 0.903 160 L HN 0.300 nan 8.230 nan 0.000 0.435 161 L N -0.198 121.158 121.223 0.221 0.000 2.079 161 L HA -0.037 4.303 4.340 0.001 0.000 0.210 161 L C 2.035 179.019 176.870 0.190 0.000 1.081 161 L CA 2.050 56.919 54.840 0.049 0.000 0.752 161 L CB -1.057 40.932 42.059 -0.116 0.000 0.896 161 L HN 0.327 nan 8.230 nan 0.000 0.433 162 G N -1.544 107.439 108.800 0.305 0.000 3.189 162 G HA2 0.410 4.370 3.960 0.001 0.000 0.225 162 G HA3 0.410 4.370 3.960 0.001 0.000 0.225 162 G C 0.433 175.371 174.900 0.063 0.000 1.159 162 G CA 0.278 45.498 45.100 0.200 0.000 0.763 162 G HN 0.568 nan 8.290 nan 0.000 0.549 163 A N 0.033 122.896 122.820 0.072 0.000 2.322 163 A HA 0.737 5.057 4.320 0.001 0.000 0.269 163 A C 0.886 178.498 177.584 0.047 0.000 1.094 163 A CA 0.231 52.298 52.037 0.050 0.000 0.807 163 A CB 0.658 19.687 19.000 0.049 0.000 1.047 163 A HN 0.425 nan 8.150 nan 0.000 0.487 164 G N -0.994 107.830 108.800 0.040 0.000 2.535 164 G HA2 0.487 4.448 3.960 0.001 0.000 0.303 164 G HA3 0.487 4.448 3.960 0.001 0.000 0.303 164 G C 0.906 175.830 174.900 0.040 0.000 1.237 164 G CA 0.576 45.697 45.100 0.036 0.000 0.986 164 G HN 1.084 nan 8.290 nan 0.000 0.494 165 E N 0.446 120.667 120.200 0.035 0.000 2.048 165 E HA -0.290 4.060 4.350 0.001 0.000 0.202 165 E C 2.196 178.821 176.600 0.041 0.000 1.021 165 E CA 2.210 58.631 56.400 0.035 0.000 0.825 165 E CB -1.090 28.628 29.700 0.030 0.000 0.756 165 E HN 0.711 nan 8.360 nan 0.000 0.454 166 N N 0.307 119.035 118.700 0.046 0.000 2.084 166 N HA -0.144 4.596 4.740 0.001 0.000 0.190 166 N C 2.051 177.604 175.510 0.073 0.000 1.030 166 N CA 2.388 55.472 53.050 0.057 0.000 0.849 166 N CB -1.152 37.371 38.487 0.060 0.000 1.012 166 N HN 0.424 nan 8.380 nan 0.000 0.423 167 T N 1.177 115.782 114.554 0.086 0.000 2.746 167 T HA -0.083 4.267 4.350 0.001 0.000 0.267 167 T C 1.847 176.548 174.700 0.002 0.000 1.039 167 T CA 1.144 63.298 62.100 0.092 0.000 1.142 167 T CB -0.102 68.842 68.868 0.127 0.000 0.866 167 T HN 0.335 nan 8.240 nan 0.000 0.444 168 K N 0.416 120.826 120.400 0.017 0.000 2.015 168 K HA -0.172 4.148 4.320 0.001 0.000 0.216 168 K C 2.554 179.152 176.600 -0.004 0.000 1.052 168 K CA 1.867 58.160 56.287 0.010 0.000 0.937 168 K CB -0.475 32.047 32.500 0.036 0.000 0.719 168 K HN 0.268 nan 8.250 nan 0.000 0.446 169 T N 1.005 115.569 114.554 0.016 0.000 2.624 169 T HA -0.177 4.174 4.350 0.001 0.000 0.268 169 T C 1.554 176.252 174.700 -0.004 0.000 1.041 169 T CA 2.101 64.213 62.100 0.018 0.000 1.159 169 T CB -0.466 68.423 68.868 0.035 0.000 0.863 169 T HN 0.324 nan 8.240 nan 0.000 0.434 170 N N 0.701 119.395 118.700 -0.010 0.000 2.120 170 N HA 0.044 4.784 4.740 0.001 0.000 0.188 170 N C 1.812 177.232 175.510 -0.149 0.000 1.024 170 N CA 0.810 53.838 53.050 -0.036 0.000 0.852 170 N CB -0.387 38.104 38.487 0.006 0.000 1.003 170 N HN 0.278 nan 8.380 nan 0.000 0.424 171 L N 0.648 121.731 121.223 -0.234 0.000 2.056 171 L HA -0.122 4.219 4.340 0.001 0.000 0.207 171 L C 2.031 178.748 176.870 -0.255 0.000 1.078 171 L CA 1.207 55.855 54.840 -0.320 0.000 0.749 171 L CB -0.322 41.549 42.059 -0.313 0.000 0.901 171 L HN 0.257 nan 8.230 nan 0.000 0.433 172 E N -0.706 119.409 120.200 -0.141 0.000 2.110 172 E HA -0.224 4.126 4.350 0.001 0.000 0.193 172 E C 2.330 178.865 176.600 -0.109 0.000 0.988 172 E CA 1.424 57.766 56.400 -0.097 0.000 0.804 172 E CB -0.041 29.683 29.700 0.039 0.000 0.745 172 E HN 0.286 nan 8.360 nan 0.000 0.458 173 S N 0.405 116.066 115.700 -0.065 0.000 2.368 173 S HA -0.127 4.343 4.470 0.001 0.000 0.224 173 S C 1.985 176.558 174.600 -0.044 0.000 1.029 173 S CA 0.760 58.943 58.200 -0.027 0.000 0.988 173 S CB -0.160 63.045 63.200 0.008 0.000 0.838 173 S HN 0.182 nan 8.310 nan 0.000 0.462 174 I N 1.021 121.540 120.570 -0.085 0.000 2.226 174 I HA -0.152 4.018 4.170 0.001 0.000 0.245 174 I C 1.751 177.835 176.117 -0.056 0.000 1.100 174 I CA 1.206 62.487 61.300 -0.031 0.000 1.374 174 I CB -0.184 37.773 38.000 -0.071 0.000 1.057 174 I HN 0.302 nan 8.210 nan 0.000 0.413 175 L N -0.100 120.901 121.223 -0.370 0.000 2.599 175 L HA 0.055 4.395 4.340 0.001 0.000 0.230 175 L C 0.991 177.637 176.870 -0.373 0.000 1.141 175 L CA 0.068 54.499 54.840 -0.682 0.000 0.877 175 L CB -0.214 41.015 42.059 -1.384 0.000 1.009 175 L HN 0.169 nan 8.230 nan 0.000 0.447 176 S N -1.421 114.202 115.700 -0.128 0.000 3.521 176 S HA -0.236 4.235 4.470 0.001 0.000 0.328 176 S C 0.132 174.806 174.600 0.122 0.000 1.165 176 S CA 0.541 58.754 58.200 0.021 0.000 0.941 176 S CB -2.107 61.148 63.200 0.092 0.000 0.951 176 S HN 0.437 nan 8.310 nan 0.000 0.539 177 Y N 1.134 121.442 120.300 0.014 0.000 2.319 177 Y HA 0.294 4.844 4.550 0.001 0.000 0.328 177 Y C -1.643 174.272 175.900 0.024 0.000 1.133 177 Y CA -2.626 55.508 58.100 0.057 0.000 1.265 177 Y CB 0.482 39.001 38.460 0.098 0.000 1.218 177 Y HN 0.089 nan 8.280 nan 0.000 0.508 178 P HA -0.015 nan 4.420 nan 0.000 0.269 178 P C 0.693 178.055 177.300 0.103 0.000 1.217 178 P CA 0.283 63.410 63.100 0.044 0.000 0.783 178 P CB 0.658 32.300 31.700 -0.096 0.000 0.898 179 K N 1.982 122.423 120.400 0.068 0.000 2.097 179 K HA -0.263 4.058 4.320 0.001 0.000 0.214 179 K C 1.259 177.911 176.600 0.087 0.000 1.052 179 K CA 2.791 59.120 56.287 0.070 0.000 0.932 179 K CB -2.119 30.408 32.500 0.045 0.000 0.716 179 K HN 0.847 nan 8.250 nan 0.000 0.455 180 D N -2.335 118.118 120.400 0.089 0.000 2.350 180 D HA 0.073 4.713 4.640 0.001 0.000 0.213 180 D C 0.572 176.955 176.300 0.139 0.000 1.031 180 D CA -0.485 53.568 54.000 0.089 0.000 0.861 180 D CB -0.093 40.745 40.800 0.063 0.000 0.926 180 D HN 0.278 nan 8.370 nan 0.000 0.520 181 F N 3.086 123.002 119.950 -0.057 0.000 2.677 181 F HA 0.174 4.701 4.527 0.001 0.000 0.358 181 F C 1.014 176.723 175.800 -0.151 0.000 1.266 181 F CA -0.746 57.182 58.000 -0.121 0.000 1.262 181 F CB -0.765 38.126 39.000 -0.181 0.000 1.684 181 F HN -0.058 nan 8.300 nan 0.000 0.671 182 T N -2.171 112.358 114.554 -0.042 0.000 3.023 182 T HA -0.115 4.236 4.350 0.001 0.000 0.266 182 T C 2.005 176.569 174.700 -0.226 0.000 1.093 182 T CA 0.761 62.796 62.100 -0.109 0.000 1.129 182 T CB -0.795 68.057 68.868 -0.027 0.000 0.899 182 T HN 0.535 nan 8.240 nan 0.000 0.491 183 c N 2.479 120.906 118.600 -0.289 0.000 2.546 183 c HA 0.184 4.754 4.570 0.001 0.000 0.275 183 c C 2.633 176.305 174.090 -0.696 0.000 1.393 183 c CA -0.394 55.727 56.329 -0.346 0.000 1.703 183 c CB -1.831 40.580 42.510 -0.165 0.000 1.710 183 c HN 0.523 nan 8.230 nan 0.000 0.581 184 V N 0.178 119.379 119.914 -1.188 0.000 2.332 184 V HA -0.265 3.856 4.120 0.001 0.000 0.248 184 V C 2.374 177.923 176.094 -0.907 0.000 1.055 184 V CA 1.935 63.331 62.300 -1.505 0.000 1.038 184 V CB -0.998 29.885 31.823 -1.566 0.000 0.651 184 V HN 0.613 nan 8.190 nan 0.000 0.450 185 H N 0.109 118.885 119.070 -0.491 0.000 2.326 185 H HA -0.082 4.474 4.556 0.001 0.000 0.301 185 H C 2.562 177.708 175.328 -0.303 0.000 1.081 185 H CA 1.748 57.592 56.048 -0.340 0.000 1.334 185 H CB -0.230 29.358 29.762 -0.289 0.000 1.385 185 H HN 0.435 nan 8.280 nan 0.000 0.504 186 Q N 0.603 120.300 119.800 -0.171 0.000 2.084 186 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 186 Q C 2.559 178.457 176.000 -0.170 0.000 0.978 186 Q CA 1.133 56.844 55.803 -0.153 0.000 0.844 186 Q CB -0.414 28.248 28.738 -0.126 0.000 0.898 186 Q HN 0.429 nan 8.270 nan 0.000 0.426 187 A N 0.859 123.519 122.820 -0.267 0.000 1.908 187 A HA -0.184 4.137 4.320 0.001 0.000 0.218 187 A C 2.100 179.436 177.584 -0.414 0.000 1.181 187 A CA 1.497 53.367 52.037 -0.278 0.000 0.627 187 A CB -0.619 18.172 19.000 -0.348 0.000 0.818 187 A HN 0.346 nan 8.150 nan 0.000 0.445 188 L N -0.234 120.714 121.223 -0.459 0.000 2.109 188 L HA -0.022 4.319 4.340 0.001 0.000 0.207 188 L C 2.179 178.973 176.870 -0.127 0.000 1.086 188 L CA 2.413 56.993 54.840 -0.433 0.000 0.760 188 L CB -0.576 41.281 42.059 -0.336 0.000 0.910 188 L HN 0.436 nan 8.230 nan 0.000 0.437 189 K N -0.565 119.788 120.400 -0.078 0.000 2.103 189 K HA -0.127 4.193 4.320 0.001 0.000 0.207 189 K C 1.578 178.228 176.600 0.084 0.000 1.048 189 K CA 1.375 57.674 56.287 0.019 0.000 0.930 189 K CB -0.498 31.986 32.500 -0.026 0.000 0.716 189 K HN 0.501 nan 8.250 nan 0.000 0.444 190 G N -0.655 108.202 108.800 0.096 0.000 3.262 190 G HA2 -0.013 3.947 3.960 0.001 0.000 0.228 190 G HA3 -0.013 3.947 3.960 0.001 0.000 0.228 190 G C 0.472 175.547 174.900 0.292 0.000 1.197 190 G CA -0.355 44.856 45.100 0.184 0.000 0.819 190 G HN 0.167 nan 8.290 nan 0.000 0.531 191 F N 0.697 120.573 119.950 -0.123 0.000 2.797 191 F HA 0.252 4.779 4.527 0.001 0.000 0.302 191 F C 1.689 177.333 175.800 -0.258 0.000 1.130 191 F CA -0.661 57.062 58.000 -0.460 0.000 1.387 191 F CB -0.244 38.581 39.000 -0.292 0.000 1.107 191 F HN -0.136 nan 8.300 nan 0.000 0.577 192 T N 0.674 115.319 114.554 0.153 0.000 2.930 192 T HA 0.221 4.571 4.350 0.001 0.000 0.306 192 T C 0.581 175.336 174.700 0.091 0.000 1.045 192 T CA 0.852 63.040 62.100 0.147 0.000 1.134 192 T CB 0.692 69.660 68.868 0.167 0.000 0.961 192 T HN 0.045 nan 8.240 nan 0.000 0.545 193 T N 1.985 116.581 114.554 0.070 0.000 2.773 193 T HA 0.373 4.723 4.350 0.001 0.000 0.278 193 T C 1.206 175.909 174.700 0.005 0.000 1.011 193 T CA -0.938 61.200 62.100 0.063 0.000 1.014 193 T CB 1.269 70.167 68.868 0.051 0.000 1.293 193 T HN 0.570 nan 8.240 nan 0.000 0.554 194 K N 0.242 120.622 120.400 -0.033 0.000 2.314 194 K HA 0.127 4.447 4.320 0.001 0.000 0.198 194 K C 1.894 178.205 176.600 -0.482 0.000 1.045 194 K CA 1.081 57.287 56.287 -0.136 0.000 0.988 194 K CB -0.625 31.874 32.500 -0.002 0.000 0.783 194 K HN 0.595 nan 8.250 nan 0.000 0.484 195 G N 1.427 109.888 108.800 -0.566 0.000 2.511 195 G HA2 0.085 4.045 3.960 0.001 0.000 0.217 195 G HA3 0.085 4.045 3.960 0.001 0.000 0.217 195 G C 0.186 174.947 174.900 -0.231 0.000 1.133 195 G CA 0.082 44.855 45.100 -0.545 0.000 0.792 195 G HN 0.121 nan 8.290 nan 0.000 0.539 196 V N 1.013 120.864 119.914 -0.105 0.000 2.483 196 V HA 0.419 4.540 4.120 0.001 0.000 0.297 196 V C -0.418 175.727 176.094 0.086 0.000 1.027 196 V CA -0.695 61.607 62.300 0.005 0.000 0.855 196 V CB 1.656 33.502 31.823 0.039 0.000 0.995 196 V HN 0.024 nan 8.190 nan 0.000 0.424 197 T N 3.163 117.799 114.554 0.137 0.000 2.867 197 T HA 0.566 4.916 4.350 0.001 0.000 0.282 197 T C -0.156 174.674 174.700 0.218 0.000 1.000 197 T CA -0.366 61.833 62.100 0.165 0.000 1.042 197 T CB 1.517 70.478 68.868 0.154 0.000 0.973 197 T HN 0.682 nan 8.240 nan 0.000 0.465 198 S N 2.046 117.871 115.700 0.207 0.000 2.677 198 S HA 0.677 5.148 4.470 0.001 0.000 0.283 198 S C -0.805 173.895 174.600 0.166 0.000 1.159 198 S CA -0.686 57.637 58.200 0.206 0.000 1.001 198 S CB 0.428 63.782 63.200 0.256 0.000 1.032 198 S HN 0.727 nan 8.310 nan 0.000 0.487 199 V N 1.915 121.925 119.914 0.160 0.000 2.962 199 V HA 0.983 5.104 4.120 0.001 0.000 0.313 199 V C -0.410 175.863 176.094 0.298 0.000 1.099 199 V CA -0.589 61.841 62.300 0.216 0.000 0.971 199 V CB 1.767 33.715 31.823 0.208 0.000 1.028 199 V HN 0.732 nan 8.190 nan 0.000 0.430 200 S N 1.541 117.366 115.700 0.209 0.000 2.540 200 S HA 0.838 5.308 4.470 0.001 0.000 0.275 200 S C -1.115 173.379 174.600 -0.177 0.000 1.123 200 S CA -0.561 57.590 58.200 -0.081 0.000 0.907 200 S CB 1.871 64.680 63.200 -0.652 0.000 1.081 200 S HN 1.090 nan 8.310 nan 0.000 0.476 201 Q N 1.435 121.002 119.800 -0.388 0.000 2.472 201 Q HA 0.633 4.974 4.340 0.001 0.000 0.281 201 Q C -2.130 173.592 176.000 -0.465 0.000 0.997 201 Q CA -0.380 55.101 55.803 -0.537 0.000 0.828 201 Q CB 1.305 29.405 28.738 -1.063 0.000 1.443 201 Q HN 0.713 nan 8.270 nan 0.000 0.390 202 I N 3.139 123.441 120.570 -0.447 0.000 2.509 202 I HA 0.539 4.709 4.170 0.001 0.000 0.293 202 I C -1.047 174.781 176.117 -0.482 0.000 1.020 202 I CA -0.856 60.272 61.300 -0.288 0.000 1.088 202 I CB 1.254 39.160 38.000 -0.157 0.000 1.267 202 I HN 0.587 nan 8.210 nan 0.000 0.430 203 F N 3.758 123.649 119.950 -0.098 0.000 2.546 203 F HA 0.524 5.052 4.527 0.001 0.000 0.320 203 F C -0.003 175.852 175.800 0.092 0.000 1.076 203 F CA -0.508 57.490 58.000 -0.004 0.000 0.928 203 F CB 1.582 40.539 39.000 -0.072 0.000 1.189 203 F HN 0.474 nan 8.300 nan 0.000 0.465 204 H N -2.064 117.058 119.070 0.086 0.000 3.012 204 H HA 0.673 5.230 4.556 0.001 0.000 0.367 204 H C -1.196 174.148 175.328 0.028 0.000 1.211 204 H CA -1.336 54.728 56.048 0.027 0.000 1.139 204 H CB 1.174 30.923 29.762 -0.023 0.000 1.838 204 H HN 0.507 nan 8.280 nan 0.000 0.550 205 S N 1.516 117.167 115.700 -0.081 0.000 2.585 205 S HA 0.112 4.583 4.470 0.001 0.000 0.273 205 S C -1.783 172.660 174.600 -0.262 0.000 1.339 205 S CA -0.982 57.126 58.200 -0.153 0.000 1.028 205 S CB 0.937 64.101 63.200 -0.060 0.000 0.906 205 S HN 0.680 nan 8.310 nan 0.000 0.528 206 P HA -0.079 nan 4.420 nan 0.000 0.225 206 P C 0.771 178.038 177.300 -0.055 0.000 1.148 206 P CA 1.066 64.067 63.100 -0.165 0.000 0.779 206 P CB -0.187 31.448 31.700 -0.108 0.000 0.780 207 D N -1.028 119.348 120.400 -0.039 0.000 2.349 207 D HA -0.042 4.598 4.640 0.001 0.000 0.224 207 D C 0.324 176.635 176.300 0.017 0.000 1.029 207 D CA 0.032 54.027 54.000 -0.009 0.000 0.879 207 D CB -0.486 40.306 40.800 -0.014 0.000 0.906 207 D HN 0.117 nan 8.370 nan 0.000 0.528 208 L N 1.335 122.590 121.223 0.054 0.000 2.264 208 L HA 0.581 4.922 4.340 0.001 0.000 0.287 208 L C -0.549 176.411 176.870 0.150 0.000 1.039 208 L CA -0.880 54.013 54.840 0.089 0.000 0.829 208 L CB 1.004 43.120 42.059 0.096 0.000 1.211 208 L HN 0.047 nan 8.230 nan 0.000 0.427 209 A N 6.420 129.278 122.820 0.064 0.000 2.362 209 A HA 0.562 4.882 4.320 0.001 0.000 0.276 209 A C -0.160 177.409 177.584 -0.026 0.000 1.153 209 A CA -0.322 51.741 52.037 0.043 0.000 0.813 209 A CB -0.236 18.779 19.000 0.024 0.000 1.081 209 A HN 0.724 nan 8.150 nan 0.000 0.507 210 I N 3.416 123.938 120.570 -0.081 0.000 2.342 210 I HA 0.195 4.366 4.170 0.001 0.000 0.291 210 I C 0.820 176.912 176.117 -0.040 0.000 1.010 210 I CA -0.384 60.839 61.300 -0.128 0.000 1.308 210 I CB 0.897 38.746 38.000 -0.251 0.000 1.400 210 I HN 0.648 nan 8.210 nan 0.000 0.488 211 R N 4.242 124.734 120.500 -0.014 0.000 2.638 211 R HA -0.063 4.277 4.340 0.001 0.000 0.268 211 R C 0.451 176.780 176.300 0.049 0.000 1.006 211 R CA -0.144 55.971 56.100 0.025 0.000 1.088 211 R CB 0.359 30.686 30.300 0.045 0.000 0.950 211 R HN 0.595 nan 8.270 nan 0.000 0.419 212 D N 1.552 121.966 120.400 0.022 0.000 2.149 212 D HA -0.146 4.495 4.640 0.001 0.000 0.194 212 D C 1.462 177.764 176.300 0.003 0.000 1.001 212 D CA 1.807 55.813 54.000 0.009 0.000 0.849 212 D CB 0.005 40.803 40.800 -0.003 0.000 0.939 212 D HN 0.549 nan 8.370 nan 0.000 0.449 213 T N 0.017 114.578 114.554 0.012 0.000 2.746 213 T HA -0.146 4.204 4.350 0.001 0.000 0.267 213 T C 1.719 176.398 174.700 -0.035 0.000 1.039 213 T CA 0.632 62.723 62.100 -0.016 0.000 1.142 213 T CB -0.400 68.469 68.868 0.001 0.000 0.866 213 T HN 0.135 nan 8.240 nan 0.000 0.444 214 F N 1.480 121.382 119.950 -0.080 0.000 2.146 214 F HA -0.069 4.458 4.527 0.001 0.000 0.298 214 F C 2.267 178.013 175.800 -0.091 0.000 1.096 214 F CA 0.637 58.584 58.000 -0.090 0.000 1.275 214 F CB -0.435 38.514 39.000 -0.085 0.000 1.008 214 F HN -0.117 nan 8.300 nan 0.000 0.480 215 V N 0.873 120.824 119.914 0.061 0.000 2.282 215 V HA -0.380 3.740 4.120 0.001 0.000 0.249 215 V C 2.148 178.169 176.094 -0.122 0.000 1.057 215 V CA 2.294 64.582 62.300 -0.019 0.000 1.032 215 V CB -0.848 30.973 31.823 -0.003 0.000 0.645 215 V HN 0.350 nan 8.190 nan 0.000 0.447 216 N N 0.529 119.155 118.700 -0.124 0.000 2.084 216 N HA -0.124 4.616 4.740 0.001 0.000 0.190 216 N C 1.850 177.223 175.510 -0.229 0.000 1.030 216 N CA 1.752 54.716 53.050 -0.144 0.000 0.849 216 N CB -0.707 37.713 38.487 -0.112 0.000 1.012 216 N HN 0.491 nan 8.380 nan 0.000 0.423 217 A N 0.140 122.764 122.820 -0.326 0.000 1.933 217 A HA -0.142 4.179 4.320 0.001 0.000 0.218 217 A C 2.397 179.664 177.584 -0.527 0.000 1.175 217 A CA 2.041 53.816 52.037 -0.437 0.000 0.628 217 A CB -0.867 17.812 19.000 -0.535 0.000 0.814 217 A HN 0.381 nan 8.150 nan 0.000 0.444 218 S N -0.621 114.768 115.700 -0.518 0.000 2.383 218 S HA -0.146 4.324 4.470 0.001 0.000 0.227 218 S C 2.125 176.608 174.600 -0.195 0.000 1.026 218 S CA 1.229 59.223 58.200 -0.344 0.000 0.981 218 S CB -0.348 62.754 63.200 -0.163 0.000 0.818 218 S HN 0.606 nan 8.310 nan 0.000 0.472 219 R N 0.036 120.435 120.500 -0.168 0.000 2.092 219 R HA -0.012 4.329 4.340 0.001 0.000 0.231 219 R C 2.453 178.669 176.300 -0.139 0.000 1.119 219 R CA 1.835 57.871 56.100 -0.106 0.000 0.970 219 R CB -0.742 29.505 30.300 -0.088 0.000 0.864 219 R HN 0.452 nan 8.270 nan 0.000 0.440 220 T N 1.295 115.724 114.554 -0.208 0.000 2.737 220 T HA -0.071 4.279 4.350 0.001 0.000 0.265 220 T C 1.827 176.377 174.700 -0.251 0.000 1.038 220 T CA 1.113 63.092 62.100 -0.202 0.000 1.144 220 T CB -0.059 68.679 68.868 -0.216 0.000 0.866 220 T HN 0.113 nan 8.240 nan 0.000 0.434 221 L N -1.207 119.745 121.223 -0.452 0.000 2.202 221 L HA 0.151 4.491 4.340 0.001 0.000 0.205 221 L C 1.801 178.416 176.870 -0.424 0.000 1.083 221 L CA 1.055 55.545 54.840 -0.582 0.000 0.790 221 L CB -0.270 41.192 42.059 -0.995 0.000 0.942 221 L HN 0.314 nan 8.230 nan 0.000 0.452 222 Y N -1.391 118.870 120.300 -0.066 0.000 2.444 222 Y HA 0.150 4.701 4.550 0.001 0.000 0.249 222 Y C 1.170 177.072 175.900 0.002 0.000 1.134 222 Y CA -0.148 57.941 58.100 -0.019 0.000 1.261 222 Y CB 0.394 38.838 38.460 -0.027 0.000 1.143 222 Y HN 0.049 nan 8.280 nan 0.000 0.523 223 S N 1.128 116.872 115.700 0.074 0.000 3.581 223 S HA -0.195 4.276 4.470 0.001 0.000 0.354 223 S C 0.041 174.687 174.600 0.077 0.000 1.059 223 S CA 0.611 58.843 58.200 0.054 0.000 1.060 223 S CB -2.138 61.096 63.200 0.057 0.000 0.908 223 S HN 0.566 nan 8.310 nan 0.000 0.475 224 S N -1.572 114.177 115.700 0.082 0.000 2.556 224 S HA 0.823 5.294 4.470 0.001 0.000 0.271 224 S C -0.652 173.957 174.600 0.015 0.000 1.135 224 S CA -0.624 57.611 58.200 0.059 0.000 0.858 224 S CB 2.301 65.548 63.200 0.078 0.000 1.114 224 S HN 0.235 nan 8.310 nan 0.000 0.468 225 S N 2.170 117.856 115.700 -0.023 0.000 2.537 225 S HA 0.690 5.161 4.470 0.001 0.000 0.301 225 S C -2.740 171.801 174.600 -0.099 0.000 1.092 225 S CA -1.238 56.936 58.200 -0.042 0.000 1.048 225 S CB 1.142 64.324 63.200 -0.029 0.000 1.053 225 S HN 0.648 nan 8.310 nan 0.000 0.501 226 P HA 0.042 nan 4.420 nan 0.000 0.261 226 P C -0.497 176.741 177.300 -0.103 0.000 1.165 226 P CA 0.477 63.477 63.100 -0.167 0.000 0.759 226 P CB 0.379 31.935 31.700 -0.239 0.000 0.772 227 R N 1.671 122.056 120.500 -0.190 0.000 2.732 227 R HA 0.526 4.866 4.340 0.001 0.000 0.278 227 R C -0.802 175.558 176.300 0.100 0.000 0.976 227 R CA -1.169 54.865 56.100 -0.110 0.000 0.963 227 R CB 1.512 31.593 30.300 -0.364 0.000 1.150 227 R HN 0.206 nan 8.270 nan 0.000 0.478 228 V N 4.087 124.026 119.914 0.042 0.000 2.465 228 V HA 0.254 4.375 4.120 0.001 0.000 0.279 228 V C 0.607 176.705 176.094 0.007 0.000 1.045 228 V CA -0.622 61.605 62.300 -0.122 0.000 0.938 228 V CB 1.046 32.781 31.823 -0.146 0.000 0.986 228 V HN 0.528 nan 8.190 nan 0.000 0.467 229 L N 3.922 125.125 121.223 -0.035 0.000 2.453 229 L HA 0.417 4.757 4.340 0.001 0.000 0.261 229 L C 0.916 177.763 176.870 -0.039 0.000 1.179 229 L CA 0.186 55.026 54.840 0.001 0.000 0.813 229 L CB 1.273 43.324 42.059 -0.014 0.000 1.110 229 L HN 0.911 nan 8.230 nan 0.000 0.466 230 S N -0.074 115.612 115.700 -0.024 0.000 2.745 230 S HA 0.193 4.663 4.470 0.001 0.000 0.292 230 S C 0.589 175.170 174.600 -0.031 0.000 1.127 230 S CA -0.606 57.578 58.200 -0.027 0.000 1.007 230 S CB 1.249 64.440 63.200 -0.015 0.000 1.165 230 S HN 0.619 nan 8.310 nan 0.000 0.544 231 N N 1.043 119.727 118.700 -0.027 0.000 2.244 231 N HA -0.065 4.676 4.740 0.001 0.000 0.183 231 N C 0.118 175.614 175.510 -0.024 0.000 1.016 231 N CA 0.678 53.713 53.050 -0.025 0.000 0.866 231 N CB -0.609 37.866 38.487 -0.021 0.000 0.980 231 N HN 0.626 nan 8.380 nan 0.000 0.430 232 N N 0.471 119.157 118.700 -0.022 0.000 2.420 232 N HA 0.020 4.761 4.740 0.001 0.000 0.262 232 N C 0.358 175.851 175.510 -0.028 0.000 1.144 232 N CA 0.170 53.207 53.050 -0.022 0.000 0.952 232 N CB 0.957 39.433 38.487 -0.018 0.000 1.081 232 N HN 0.059 nan 8.380 nan 0.000 0.480 233 S N 2.754 118.438 115.700 -0.028 0.000 2.370 233 S HA -0.128 4.342 4.470 0.001 0.000 0.226 233 S C 0.904 175.482 174.600 -0.037 0.000 1.033 233 S CA 1.052 59.232 58.200 -0.033 0.000 1.011 233 S CB 0.099 63.282 63.200 -0.028 0.000 0.852 233 S HN 0.602 nan 8.310 nan 0.000 0.457 234 D N 1.121 121.504 120.400 -0.029 0.000 2.149 234 D HA 0.056 4.697 4.640 0.001 0.000 0.201 234 D C 2.140 178.422 176.300 -0.030 0.000 0.972 234 D CA 1.065 55.049 54.000 -0.027 0.000 0.835 234 D CB -0.498 40.290 40.800 -0.019 0.000 0.966 234 D HN 0.391 nan 8.370 nan 0.000 0.476 235 A N 1.471 124.275 122.820 -0.027 0.000 1.883 235 A HA -0.226 4.095 4.320 0.001 0.000 0.217 235 A C 1.998 179.556 177.584 -0.045 0.000 1.186 235 A CA 1.538 53.559 52.037 -0.026 0.000 0.624 235 A CB -0.499 18.490 19.000 -0.018 0.000 0.822 235 A HN 0.125 nan 8.150 nan 0.000 0.444 236 N N -0.235 118.428 118.700 -0.061 0.000 2.120 236 N HA -0.123 4.618 4.740 0.001 0.000 0.188 236 N C 1.553 176.974 175.510 -0.149 0.000 1.024 236 N CA 1.376 54.362 53.050 -0.107 0.000 0.852 236 N CB -0.672 37.758 38.487 -0.096 0.000 1.003 236 N HN 0.375 nan 8.380 nan 0.000 0.424 237 L N 1.876 123.038 121.223 -0.102 0.000 2.042 237 L HA -0.204 4.136 4.340 0.001 0.000 0.210 237 L C 2.407 179.231 176.870 -0.077 0.000 1.076 237 L CA 2.388 57.174 54.840 -0.090 0.000 0.749 237 L CB -1.115 40.910 42.059 -0.056 0.000 0.893 237 L HN 0.358 nan 8.230 nan 0.000 0.432 238 E N -0.915 119.252 120.200 -0.055 0.000 2.107 238 E HA -0.181 4.170 4.350 0.001 0.000 0.191 238 E C 2.045 178.629 176.600 -0.026 0.000 0.982 238 E CA 1.310 57.693 56.400 -0.029 0.000 0.809 238 E CB -1.010 28.681 29.700 -0.014 0.000 0.756 238 E HN 0.401 nan 8.360 nan 0.000 0.459 239 L N 0.475 121.664 121.223 -0.057 0.000 1.971 239 L HA -0.120 4.220 4.340 0.001 0.000 0.215 239 L C 2.621 179.434 176.870 -0.095 0.000 1.072 239 L CA 1.920 56.730 54.840 -0.051 0.000 0.758 239 L CB -0.530 41.463 42.059 -0.109 0.000 0.889 239 L HN 0.457 nan 8.230 nan 0.000 0.433 240 I N -0.821 119.580 120.570 -0.282 0.000 2.202 240 I HA -0.291 3.879 4.170 0.001 0.000 0.242 240 I C 2.015 178.140 176.117 0.013 0.000 1.091 240 I CA 1.134 62.242 61.300 -0.319 0.000 1.368 240 I CB -0.430 37.307 38.000 -0.439 0.000 1.058 240 I HN 0.355 nan 8.210 nan 0.000 0.410 241 N N 0.364 119.063 118.700 -0.002 0.000 2.244 241 N HA -0.111 4.630 4.740 0.001 0.000 0.183 241 N C 1.787 177.342 175.510 0.075 0.000 1.016 241 N CA 1.430 54.508 53.050 0.046 0.000 0.866 241 N CB -0.352 38.143 38.487 0.012 0.000 0.980 241 N HN 0.295 nan 8.380 nan 0.000 0.430 242 T N -0.468 114.132 114.554 0.077 0.000 2.812 242 T HA -0.117 4.233 4.350 0.001 0.000 0.264 242 T C 1.491 176.268 174.700 0.129 0.000 1.042 242 T CA 0.617 62.763 62.100 0.077 0.000 1.140 242 T CB -0.294 68.615 68.868 0.068 0.000 0.870 242 T HN 0.398 nan 8.240 nan 0.000 0.445 243 W N 1.858 123.177 121.300 0.033 0.000 2.318 243 W HA -0.225 4.435 4.660 0.001 0.000 0.313 243 W C 2.026 178.581 176.519 0.060 0.000 1.221 243 W CA 1.042 58.437 57.345 0.084 0.000 1.266 243 W CB -0.629 28.942 29.460 0.184 0.000 1.150 243 W HN -0.034 nan 8.180 nan 0.000 0.496 244 V N 1.074 121.122 119.914 0.223 0.000 2.307 244 V HA -0.291 3.830 4.120 0.001 0.000 0.245 244 V C 2.544 178.573 176.094 -0.108 0.000 1.045 244 V CA 2.179 64.499 62.300 0.033 0.000 1.024 244 V CB -1.763 30.166 31.823 0.177 0.000 0.651 244 V HN 0.347 nan 8.190 nan 0.000 0.449 245 A N -0.001 122.790 122.820 -0.049 0.000 1.892 245 A HA -0.338 3.983 4.320 0.001 0.000 0.218 245 A C 2.332 179.825 177.584 -0.153 0.000 1.188 245 A CA 2.527 54.517 52.037 -0.079 0.000 0.631 245 A CB -0.588 18.387 19.000 -0.041 0.000 0.822 245 A HN 0.543 nan 8.150 nan 0.000 0.447 246 K N -0.721 119.571 120.400 -0.180 0.000 2.209 246 K HA -0.099 4.222 4.320 0.001 0.000 0.204 246 K C 0.805 177.232 176.600 -0.288 0.000 1.048 246 K CA 1.454 57.616 56.287 -0.208 0.000 0.940 246 K CB -0.105 32.286 32.500 -0.182 0.000 0.729 246 K HN 0.472 nan 8.250 nan 0.000 0.451 247 N N 0.255 118.719 118.700 -0.394 0.000 2.214 247 N HA -0.002 4.739 4.740 0.001 0.000 0.214 247 N C -0.192 175.179 175.510 -0.231 0.000 1.132 247 N CA 0.632 53.449 53.050 -0.388 0.000 0.856 247 N CB 1.361 39.424 38.487 -0.706 0.000 1.020 247 N HN 0.268 nan 8.380 nan 0.000 0.509 248 T N -3.157 111.258 114.554 -0.231 0.000 3.337 248 T HA 0.161 4.511 4.350 0.001 0.000 0.299 248 T C 0.275 174.689 174.700 -0.476 0.000 0.998 248 T CA -0.495 61.498 62.100 -0.178 0.000 0.948 248 T CB -0.422 68.436 68.868 -0.017 0.000 1.170 248 T HN 0.146 nan 8.240 nan 0.000 0.508 249 N N 2.516 120.854 118.700 -0.604 0.000 2.721 249 N HA -0.271 4.470 4.740 0.001 0.000 0.249 249 N C -0.046 175.284 175.510 -0.300 0.000 1.072 249 N CA 0.629 53.335 53.050 -0.574 0.000 0.710 249 N CB -0.910 36.939 38.487 -1.064 0.000 0.993 249 N HN 0.593 nan 8.380 nan 0.000 0.547 250 N N -1.192 117.387 118.700 -0.202 0.000 2.708 250 N HA -0.190 4.550 4.740 0.001 0.000 0.251 250 N C 0.398 175.867 175.510 -0.069 0.000 1.123 250 N CA 1.267 54.251 53.050 -0.110 0.000 0.739 250 N CB -0.332 38.104 38.487 -0.085 0.000 1.113 250 N HN 0.553 nan 8.380 nan 0.000 0.561 251 K N 0.115 120.478 120.400 -0.063 0.000 2.296 251 K HA 0.136 4.457 4.320 0.001 0.000 0.200 251 K C 0.961 177.574 176.600 0.021 0.000 1.048 251 K CA 0.683 56.973 56.287 0.004 0.000 0.966 251 K CB 0.510 33.050 32.500 0.066 0.000 0.754 251 K HN 0.379 nan 8.250 nan 0.000 0.466 252 I N 1.904 122.482 120.570 0.013 0.000 2.555 252 I HA 0.013 4.183 4.170 0.001 0.000 0.275 252 I C 0.828 176.952 176.117 0.012 0.000 1.082 252 I CA -0.187 61.128 61.300 0.026 0.000 1.167 252 I CB 1.403 39.432 38.000 0.048 0.000 1.312 252 I HN -0.056 nan 8.210 nan 0.000 0.493 253 S N 4.045 119.750 115.700 0.008 0.000 2.528 253 S HA 0.141 4.611 4.470 0.001 0.000 0.219 253 S C 1.090 175.697 174.600 0.012 0.000 0.985 253 S CA 0.038 58.239 58.200 0.003 0.000 0.914 253 S CB 0.166 63.365 63.200 -0.002 0.000 0.776 253 S HN 0.638 nan 8.310 nan 0.000 0.526 254 R N 0.257 120.768 120.500 0.019 0.000 2.754 254 R HA 0.322 4.663 4.340 0.001 0.000 0.255 254 R C 0.094 176.409 176.300 0.026 0.000 1.723 254 R CA -0.177 55.934 56.100 0.019 0.000 1.596 254 R CB 0.395 30.702 30.300 0.013 0.000 1.424 254 R HN 0.269 nan 8.270 nan 0.000 0.662 255 L N 1.897 123.141 121.223 0.036 0.000 2.056 255 L HA 0.103 4.443 4.340 0.001 0.000 0.207 255 L C -0.089 176.799 176.870 0.031 0.000 1.078 255 L CA 1.820 56.685 54.840 0.043 0.000 0.749 255 L CB 0.169 42.270 42.059 0.070 0.000 0.901 255 L HN 0.368 nan 8.230 nan 0.000 0.433 256 L N -0.208 121.026 121.223 0.018 0.000 2.307 256 L HA 0.265 4.605 4.340 0.001 0.000 0.284 256 L C 0.562 177.432 176.870 -0.001 0.000 1.023 256 L CA -0.663 54.179 54.840 0.004 0.000 0.810 256 L CB 1.353 43.404 42.059 -0.014 0.000 1.231 256 L HN -0.096 nan 8.230 nan 0.000 0.423 257 D N 0.573 120.973 120.400 -0.000 0.000 2.183 257 D HA -0.036 4.604 4.640 0.001 0.000 0.203 257 D C 0.706 177.000 176.300 -0.010 0.000 0.969 257 D CA 0.932 54.931 54.000 -0.002 0.000 0.842 257 D CB 0.477 41.278 40.800 0.001 0.000 0.957 257 D HN 0.598 nan 8.370 nan 0.000 0.484 258 S N -1.190 114.501 115.700 -0.015 0.000 2.615 258 S HA 0.557 5.027 4.470 0.001 0.000 0.269 258 S C -1.669 172.913 174.600 -0.029 0.000 1.161 258 S CA -0.998 57.190 58.200 -0.021 0.000 0.817 258 S CB 1.776 64.965 63.200 -0.017 0.000 1.131 258 S HN -0.056 nan 8.310 nan 0.000 0.467 259 L N 1.492 122.695 121.223 -0.034 0.000 2.529 259 L HA 0.582 4.922 4.340 0.001 0.000 0.258 259 L C -2.824 174.024 176.870 -0.036 0.000 1.032 259 L CA -1.380 53.435 54.840 -0.042 0.000 0.899 259 L CB 1.170 43.193 42.059 -0.059 0.000 1.174 259 L HN 0.552 nan 8.230 nan 0.000 0.458 260 P HA 0.164 nan 4.420 nan 0.000 0.264 260 P C 0.932 178.214 177.300 -0.030 0.000 1.179 260 P CA 0.841 63.924 63.100 -0.029 0.000 0.763 260 P CB 0.763 32.446 31.700 -0.029 0.000 0.806 261 S N 2.812 118.497 115.700 -0.026 0.000 2.387 261 S HA -0.234 4.236 4.470 0.001 0.000 0.230 261 S C 1.374 175.958 174.600 -0.026 0.000 1.035 261 S CA 2.081 60.265 58.200 -0.026 0.000 1.014 261 S CB -1.033 62.154 63.200 -0.022 0.000 0.836 261 S HN 0.690 nan 8.310 nan 0.000 0.466 262 D N 0.479 120.864 120.400 -0.026 0.000 2.352 262 D HA 0.053 4.693 4.640 0.001 0.000 0.232 262 D C -0.093 176.190 176.300 -0.027 0.000 1.055 262 D CA 0.271 54.256 54.000 -0.026 0.000 0.891 262 D CB -0.942 39.842 40.800 -0.027 0.000 0.897 262 D HN 0.205 nan 8.370 nan 0.000 0.529 263 T N 0.577 115.115 114.554 -0.028 0.000 2.814 263 T HA 0.277 4.627 4.350 0.001 0.000 0.297 263 T C 1.018 175.707 174.700 -0.018 0.000 0.956 263 T CA -0.406 61.679 62.100 -0.026 0.000 1.123 263 T CB 1.353 70.203 68.868 -0.030 0.000 0.902 263 T HN 0.158 nan 8.240 nan 0.000 0.528 264 R N 1.489 121.982 120.500 -0.012 0.000 2.419 264 R HA 0.365 4.706 4.340 0.001 0.000 0.235 264 R C -0.436 175.884 176.300 0.032 0.000 0.899 264 R CA -0.311 55.792 56.100 0.004 0.000 1.048 264 R CB 0.490 30.789 30.300 -0.002 0.000 1.182 264 R HN 0.307 nan 8.270 nan 0.000 0.544 265 L N 0.782 122.015 121.223 0.017 0.000 2.470 265 L HA 0.441 4.781 4.340 0.001 0.000 0.268 265 L C -1.599 175.282 176.870 0.018 0.000 0.964 265 L CA -0.806 54.048 54.840 0.024 0.000 0.839 265 L CB 2.484 44.530 42.059 -0.022 0.000 1.276 265 L HN -0.269 nan 8.230 nan 0.000 0.403 266 V N 5.855 125.802 119.914 0.054 0.000 2.483 266 V HA 0.513 4.633 4.120 0.001 0.000 0.297 266 V C -0.360 175.756 176.094 0.038 0.000 1.027 266 V CA -0.606 61.721 62.300 0.045 0.000 0.855 266 V CB 1.648 33.501 31.823 0.050 0.000 0.995 266 V HN 0.557 nan 8.190 nan 0.000 0.424 267 L N 6.149 127.367 121.223 -0.007 0.000 2.307 267 L HA 0.714 5.054 4.340 0.001 0.000 0.284 267 L C -0.787 176.061 176.870 -0.037 0.000 1.023 267 L CA -0.452 54.362 54.840 -0.044 0.000 0.810 267 L CB 1.655 43.687 42.059 -0.045 0.000 1.231 267 L HN 0.461 nan 8.230 nan 0.000 0.423 268 L N 3.312 124.481 121.223 -0.090 0.000 2.350 268 L HA 0.594 4.934 4.340 0.001 0.000 0.260 268 L C -0.358 176.517 176.870 0.009 0.000 1.015 268 L CA -0.428 54.395 54.840 -0.029 0.000 0.821 268 L CB 2.397 44.414 42.059 -0.069 0.000 1.370 268 L HN 0.595 nan 8.230 nan 0.000 0.416 269 N N 0.780 119.574 118.700 0.156 0.000 2.277 269 N HA 0.826 5.566 4.740 0.001 0.000 0.286 269 N C -2.047 173.641 175.510 0.297 0.000 1.140 269 N CA -0.317 52.849 53.050 0.194 0.000 0.799 269 N CB 2.798 41.313 38.487 0.048 0.000 1.596 269 N HN 0.746 nan 8.380 nan 0.000 0.473 270 A N 2.894 125.881 122.820 0.278 0.000 2.455 270 A HA 0.660 4.980 4.320 0.001 0.000 0.300 270 A C -1.466 176.211 177.584 0.154 0.000 1.040 270 A CA -0.611 51.531 52.037 0.175 0.000 0.697 270 A CB 1.092 20.098 19.000 0.010 0.000 1.265 270 A HN 0.504 nan 8.150 nan 0.000 0.407 271 I N 1.580 122.275 120.570 0.210 0.000 2.509 271 I HA 0.431 4.601 4.170 0.001 0.000 0.293 271 I C -1.297 175.039 176.117 0.365 0.000 1.020 271 I CA -0.683 60.789 61.300 0.286 0.000 1.088 271 I CB 1.578 39.767 38.000 0.314 0.000 1.267 271 I HN 0.703 nan 8.210 nan 0.000 0.430 272 Y N 6.624 127.031 120.300 0.178 0.000 2.346 272 Y HA 0.615 5.165 4.550 0.001 0.000 0.332 272 Y C -1.444 174.531 175.900 0.125 0.000 0.985 272 Y CA -0.958 57.221 58.100 0.131 0.000 1.112 272 Y CB 1.770 40.255 38.460 0.042 0.000 1.170 272 Y HN 0.496 nan 8.280 nan 0.000 0.447 273 L N 5.650 126.575 121.223 -0.496 0.000 2.362 273 L HA 0.851 5.191 4.340 0.001 0.000 0.275 273 L C -1.214 175.206 176.870 -0.750 0.000 0.998 273 L CA -0.281 54.314 54.840 -0.409 0.000 0.820 273 L CB 1.604 43.591 42.059 -0.119 0.000 1.270 273 L HN 0.640 nan 8.230 nan 0.000 0.415 274 S N 3.935 119.320 115.700 -0.525 0.000 2.603 274 S HA 0.919 5.389 4.470 0.001 0.000 0.274 274 S C -1.311 173.173 174.600 -0.194 0.000 1.168 274 S CA 0.197 58.157 58.200 -0.401 0.000 0.963 274 S CB 1.632 64.618 63.200 -0.356 0.000 1.078 274 S HN 1.178 nan 8.310 nan 0.000 0.477 275 A N 4.081 126.808 122.820 -0.155 0.000 2.605 275 A HA 0.741 5.061 4.320 0.001 0.000 0.294 275 A C -1.536 175.939 177.584 -0.181 0.000 1.062 275 A CA -0.882 51.129 52.037 -0.043 0.000 0.682 275 A CB 1.375 20.366 19.000 -0.015 0.000 1.278 275 A HN 0.695 nan 8.150 nan 0.000 0.410 276 K N 0.574 120.904 120.400 -0.116 0.000 2.123 276 K HA 0.398 4.718 4.320 0.001 0.000 0.259 276 K C -1.130 175.407 176.600 -0.105 0.000 0.960 276 K CA -0.294 55.908 56.287 -0.142 0.000 0.872 276 K CB 1.279 33.757 32.500 -0.037 0.000 1.079 276 K HN 0.679 nan 8.250 nan 0.000 0.440 277 W N 1.301 122.643 121.300 0.070 0.000 2.181 277 W HA -0.040 4.620 4.660 0.001 0.000 0.335 277 W C 1.634 178.148 176.519 -0.009 0.000 1.310 277 W CA -0.501 56.890 57.345 0.077 0.000 1.226 277 W CB 0.367 29.935 29.460 0.181 0.000 1.155 277 W HN 0.465 nan 8.180 nan 0.000 0.565 278 K N 0.682 121.195 120.400 0.187 0.000 2.026 278 K HA -0.074 4.247 4.320 0.001 0.000 0.208 278 K C 0.549 177.120 176.600 -0.047 0.000 1.048 278 K CA 1.181 57.467 56.287 -0.002 0.000 0.929 278 K CB -0.537 31.888 32.500 -0.125 0.000 0.713 278 K HN 0.507 nan 8.250 nan 0.000 0.439 279 T N 1.566 116.052 114.554 -0.113 0.000 2.772 279 T HA 0.281 4.631 4.350 0.001 0.000 0.288 279 T C -0.102 174.551 174.700 -0.078 0.000 0.994 279 T CA -0.461 61.490 62.100 -0.248 0.000 0.951 279 T CB 1.320 69.786 68.868 -0.670 0.000 0.933 279 T HN 0.532 nan 8.240 nan 0.000 0.447 280 T N 1.202 115.788 114.554 0.054 0.000 2.813 280 T HA 0.571 4.922 4.350 0.001 0.000 0.297 280 T C -0.047 174.703 174.700 0.083 0.000 1.036 280 T CA -0.540 61.688 62.100 0.213 0.000 1.044 280 T CB 0.202 69.195 68.868 0.210 0.000 0.993 280 T HN 0.249 nan 8.240 nan 0.000 0.535 281 F N 0.367 120.401 119.950 0.139 0.000 2.403 281 F HA 0.431 4.958 4.527 0.001 0.000 0.326 281 F C 0.768 176.604 175.800 0.060 0.000 1.081 281 F CA -1.051 56.990 58.000 0.067 0.000 1.041 281 F CB 0.901 39.888 39.000 -0.023 0.000 1.234 281 F HN 0.584 nan 8.300 nan 0.000 0.503 282 D N 2.909 123.442 120.400 0.221 0.000 2.317 282 D HA 0.246 4.886 4.640 0.001 0.000 0.234 282 D C -1.848 174.524 176.300 0.119 0.000 1.112 282 D CA -2.612 51.467 54.000 0.133 0.000 0.840 282 D CB 1.487 42.336 40.800 0.082 0.000 1.078 282 D HN 0.092 nan 8.370 nan 0.000 0.486 283 P HA -0.055 nan 4.420 nan 0.000 0.237 283 P C 0.389 177.713 177.300 0.040 0.000 1.178 283 P CA 0.576 63.714 63.100 0.062 0.000 0.766 283 P CB 0.373 32.106 31.700 0.054 0.000 0.876 284 K N -0.189 120.235 120.400 0.041 0.000 2.296 284 K HA 0.007 4.328 4.320 0.001 0.000 0.200 284 K C 1.707 178.324 176.600 0.028 0.000 1.048 284 K CA 0.804 57.108 56.287 0.028 0.000 0.966 284 K CB -0.068 32.447 32.500 0.025 0.000 0.754 284 K HN -0.086 nan 8.250 nan 0.000 0.466 285 K N 0.478 120.903 120.400 0.041 0.000 2.444 285 K HA 0.114 4.434 4.320 0.001 0.000 0.193 285 K C -0.021 176.596 176.600 0.028 0.000 1.024 285 K CA 0.322 56.633 56.287 0.040 0.000 1.077 285 K CB 0.129 32.665 32.500 0.060 0.000 0.833 285 K HN -0.020 nan 8.250 nan 0.000 0.517 286 T N 1.951 116.516 114.554 0.018 0.000 2.794 286 T HA 0.233 4.583 4.350 0.001 0.000 0.296 286 T C -0.091 174.601 174.700 -0.014 0.000 0.949 286 T CA -0.150 61.942 62.100 -0.013 0.000 1.101 286 T CB 0.869 69.721 68.868 -0.027 0.000 0.905 286 T HN -0.130 nan 8.240 nan 0.000 0.516 287 R N 2.669 123.156 120.500 -0.022 0.000 2.725 287 R HA 0.510 4.850 4.340 0.001 0.000 0.277 287 R C -0.581 175.707 176.300 -0.020 0.000 0.987 287 R CA -0.930 55.162 56.100 -0.014 0.000 0.901 287 R CB 1.770 32.067 30.300 -0.004 0.000 1.207 287 R HN 0.607 nan 8.270 nan 0.000 0.463 288 M N 2.431 122.022 119.600 -0.016 0.000 2.108 288 M HA 0.390 4.870 4.480 0.001 0.000 0.347 288 M C -0.110 176.188 176.300 -0.004 0.000 1.326 288 M CA 0.283 55.572 55.300 -0.017 0.000 1.126 288 M CB 0.578 33.165 32.600 -0.021 0.000 1.606 288 M HN 0.587 nan 8.290 nan 0.000 0.462 289 E N 5.054 125.259 120.200 0.008 0.000 2.195 289 E HA 0.485 4.835 4.350 0.001 0.000 0.271 289 E C -2.246 174.386 176.600 0.053 0.000 0.923 289 E CA -1.874 54.544 56.400 0.031 0.000 0.790 289 E CB 1.963 31.689 29.700 0.043 0.000 1.155 289 E HN 0.339 nan 8.360 nan 0.000 0.402 290 P HA 0.066 nan 4.420 nan 0.000 0.271 290 P C -1.065 176.296 177.300 0.102 0.000 1.218 290 P CA 0.129 63.237 63.100 0.014 0.000 0.780 290 P CB 0.413 32.071 31.700 -0.071 0.000 0.901 291 F N 1.499 121.386 119.950 -0.105 0.000 2.574 291 F HA 0.307 4.834 4.527 0.001 0.000 0.313 291 F C 0.920 176.714 175.800 -0.010 0.000 1.130 291 F CA -0.541 57.457 58.000 -0.003 0.000 0.936 291 F CB 1.609 40.643 39.000 0.057 0.000 1.219 291 F HN 0.275 nan 8.300 nan 0.000 0.445 292 H N 5.150 123.854 119.070 -0.610 0.000 2.372 292 H HA 0.111 4.667 4.556 0.000 0.000 0.301 292 H C 0.432 175.732 175.328 -0.047 0.000 1.065 292 H CA 1.892 57.779 56.048 -0.267 0.000 1.364 292 H CB -0.057 29.543 29.762 -0.270 0.000 1.406 292 H HN 0.612 nan 8.280 nan 0.000 0.521 297 V N 4.192 124.111 119.914 0.008 0.000 2.843 297 V HA 0.572 4.692 4.120 0.001 0.000 0.305 297 V C 0.620 176.663 176.094 -0.084 0.000 1.065 297 V CA 0.603 62.892 62.300 -0.018 0.000 1.116 297 V CB 0.894 32.681 31.823 -0.058 0.000 0.968 297 V HN 0.927 nan 8.190 nan 0.000 0.487 298 I N 1.971 122.514 120.570 -0.045 0.000 3.445 298 I HA 0.745 4.915 4.170 0.001 0.000 0.303 298 I C -0.667 175.455 176.117 0.008 0.000 1.129 298 I CA -1.325 59.941 61.300 -0.057 0.000 0.989 298 I CB 2.204 40.121 38.000 -0.137 0.000 1.314 298 I HN 0.297 nan 8.210 nan 0.000 0.488 299 K N 1.349 121.739 120.400 -0.017 0.000 2.324 299 K HA 0.732 5.052 4.320 0.001 0.000 0.253 299 K C -1.338 175.247 176.600 -0.026 0.000 0.932 299 K CA -0.794 55.491 56.287 -0.004 0.000 0.799 299 K CB 2.566 35.052 32.500 -0.022 0.000 1.154 299 K HN 0.607 nan 8.250 nan 0.000 0.425 300 V N -0.206 119.696 119.914 -0.019 0.000 2.876 300 V HA 0.695 4.816 4.120 0.001 0.000 0.312 300 V C -2.772 173.290 176.094 -0.054 0.000 1.085 300 V CA -2.751 59.507 62.300 -0.070 0.000 0.945 300 V CB 1.724 33.453 31.823 -0.155 0.000 1.017 300 V HN 0.606 nan 8.190 nan 0.000 0.428 301 P HA 0.538 nan 4.420 nan 0.000 0.287 301 P C -1.074 176.178 177.300 -0.080 0.000 1.281 301 P CA -0.247 62.814 63.100 -0.065 0.000 0.781 301 P CB 1.371 33.031 31.700 -0.067 0.000 0.903 302 M N 4.178 123.731 119.600 -0.078 0.000 2.151 302 M HA 0.394 4.875 4.480 0.001 0.000 0.290 302 M C -0.536 175.690 176.300 -0.123 0.000 0.965 302 M CA -0.507 54.737 55.300 -0.094 0.000 0.930 302 M CB 1.467 34.038 32.600 -0.049 0.000 1.560 302 M HN 0.245 nan 8.290 nan 0.000 0.438 303 M N 3.806 123.272 119.600 -0.223 0.000 2.216 303 M HA 0.395 4.875 4.480 0.001 0.000 0.356 303 M C -0.393 175.828 176.300 -0.131 0.000 1.205 303 M CA -0.033 55.099 55.300 -0.279 0.000 1.122 303 M CB 0.692 32.840 32.600 -0.754 0.000 1.571 303 M HN 0.517 nan 8.290 nan 0.000 0.464 304 N N 1.248 119.970 118.700 0.037 0.000 2.240 304 N HA 0.563 5.303 4.740 0.001 0.000 0.302 304 N C -1.515 174.096 175.510 0.168 0.000 1.106 304 N CA -0.414 52.685 53.050 0.082 0.000 0.778 304 N CB 2.353 40.860 38.487 0.032 0.000 1.431 304 N HN 0.586 nan 8.380 nan 0.000 0.479 305 S N 0.355 116.121 115.700 0.109 0.000 2.584 305 S HA 0.217 4.687 4.470 0.001 0.000 0.280 305 S C -0.000 174.623 174.600 0.040 0.000 1.162 305 S CA -0.603 57.640 58.200 0.072 0.000 0.951 305 S CB 1.099 64.325 63.200 0.044 0.000 1.108 305 S HN 0.512 nan 8.310 nan 0.000 0.464 306 K N 1.620 122.034 120.400 0.023 0.000 2.305 306 K HA 0.118 4.439 4.320 0.001 0.000 0.199 306 K C 0.446 177.051 176.600 0.008 0.000 1.047 306 K CA 0.330 56.623 56.287 0.011 0.000 0.976 306 K CB 0.174 32.677 32.500 0.006 0.000 0.765 306 K HN 0.295 nan 8.250 nan 0.000 0.474 307 K N 0.048 120.451 120.400 0.005 0.000 3.012 307 K HA 0.147 4.467 4.320 0.001 0.000 0.207 307 K C -1.374 175.209 176.600 -0.029 0.000 1.130 307 K CA -0.531 55.750 56.287 -0.009 0.000 1.021 307 K CB -0.048 32.435 32.500 -0.030 0.000 0.736 307 K HN 0.159 nan 8.250 nan 0.000 0.448 308 Y N 2.813 123.028 120.300 -0.143 0.000 2.497 308 Y HA 0.197 4.747 4.550 0.001 0.000 0.334 308 Y C -2.126 173.707 175.900 -0.112 0.000 1.199 308 Y CA -1.757 56.218 58.100 -0.208 0.000 1.425 308 Y CB 0.798 39.072 38.460 -0.311 0.000 1.291 308 Y HN 0.169 nan 8.280 nan 0.000 0.562 309 P HA 0.077 nan 4.420 nan 0.000 0.277 309 P C -1.309 176.183 177.300 0.319 0.000 1.354 309 P CA 0.302 63.386 63.100 -0.027 0.000 0.891 309 P CB 0.456 32.022 31.700 -0.223 0.000 1.058 310 V N 3.595 123.723 119.914 0.356 0.000 2.555 310 V HA 0.626 4.747 4.120 0.001 0.000 0.302 310 V C 0.471 176.743 176.094 0.297 0.000 1.038 310 V CA -1.086 61.427 62.300 0.355 0.000 0.887 310 V CB 1.880 33.770 31.823 0.112 0.000 0.991 310 V HN 0.540 nan 8.190 nan 0.000 0.434 311 A N 4.251 127.046 122.820 -0.042 0.000 2.289 311 A HA 0.815 5.135 4.320 0.001 0.000 0.298 311 A C -0.345 177.245 177.584 0.010 0.000 1.208 311 A CA -0.129 51.754 52.037 -0.257 0.000 0.845 311 A CB -0.091 18.401 19.000 -0.845 0.000 1.125 311 A HN 1.356 nan 8.150 nan 0.000 0.517 312 H N -0.692 118.324 119.070 -0.089 0.000 3.068 312 H HA 0.745 5.302 4.556 0.001 0.000 0.342 312 H C -0.989 174.354 175.328 0.025 0.000 1.284 312 H CA -1.015 54.956 56.048 -0.130 0.000 1.181 312 H CB 0.973 30.660 29.762 -0.126 0.000 1.898 312 H HN 0.997 nan 8.280 nan 0.000 0.540 313 F N -0.905 119.022 119.950 -0.038 0.000 2.773 313 F HA 0.589 5.117 4.527 0.001 0.000 0.314 313 F C -2.024 173.766 175.800 -0.016 0.000 1.160 313 F CA -1.495 56.457 58.000 -0.080 0.000 0.920 313 F CB 0.910 39.837 39.000 -0.122 0.000 1.323 313 F HN 0.539 nan 8.300 nan 0.000 0.457 314 I N 1.460 122.143 120.570 0.188 0.000 2.365 314 I HA 0.249 4.420 4.170 0.001 0.000 0.291 314 I C -0.906 175.363 176.117 0.253 0.000 1.004 314 I CA -0.146 61.220 61.300 0.110 0.000 1.311 314 I CB 1.381 39.434 38.000 0.088 0.000 1.401 314 I HN 0.681 nan 8.210 nan 0.000 0.491 315 D N 3.661 124.153 120.400 0.152 0.000 2.329 315 D HA 0.106 4.746 4.640 0.001 0.000 0.232 315 D C 0.799 177.140 176.300 0.068 0.000 1.088 315 D CA -0.245 53.857 54.000 0.171 0.000 0.835 315 D CB 1.378 42.269 40.800 0.151 0.000 1.078 315 D HN 0.312 nan 8.370 nan 0.000 0.495 316 Q N 1.775 121.607 119.800 0.052 0.000 2.368 316 Q HA -0.105 4.235 4.340 0.001 0.000 0.210 316 Q C 1.780 177.775 176.000 -0.008 0.000 0.982 316 Q CA 1.878 57.690 55.803 0.015 0.000 0.884 316 Q CB -0.318 28.427 28.738 0.012 0.000 0.933 316 Q HN 0.717 nan 8.270 nan 0.000 0.460 317 T N 0.590 115.146 114.554 0.004 0.000 2.814 317 T HA 0.122 4.473 4.350 0.001 0.000 0.254 317 T C 1.842 176.531 174.700 -0.019 0.000 1.037 317 T CA 0.750 62.847 62.100 -0.005 0.000 1.143 317 T CB -0.162 68.714 68.868 0.013 0.000 0.866 317 T HN 0.303 nan 8.240 nan 0.000 0.431 318 L N 0.224 121.443 121.223 -0.007 0.000 2.376 318 L HA 0.122 4.462 4.340 0.001 0.000 0.219 318 L C 0.503 177.338 176.870 -0.059 0.000 1.133 318 L CA 0.476 55.308 54.840 -0.013 0.000 0.816 318 L CB -0.569 41.493 42.059 0.005 0.000 0.933 318 L HN 0.268 nan 8.230 nan 0.000 0.449 319 K N 0.139 120.493 120.400 -0.077 0.000 3.619 319 K HA -0.142 4.178 4.320 0.001 0.000 0.275 319 K C -0.578 176.010 176.600 -0.021 0.000 0.993 319 K CA 0.474 56.693 56.287 -0.114 0.000 0.787 319 K CB -1.055 31.194 32.500 -0.419 0.000 1.431 319 K HN 0.451 nan 8.250 nan 0.000 0.451 320 A N 1.193 124.014 122.820 0.000 0.000 2.566 320 A HA 0.568 4.888 4.320 0.001 0.000 0.297 320 A C -1.038 176.522 177.584 -0.039 0.000 1.059 320 A CA -1.098 50.940 52.037 0.001 0.000 0.691 320 A CB 1.084 20.080 19.000 -0.006 0.000 1.282 320 A HN 0.174 nan 8.150 nan 0.000 0.401 321 K N 0.799 121.171 120.400 -0.047 0.000 2.276 321 K HA 0.543 4.863 4.320 0.001 0.000 0.283 321 K C -0.754 175.728 176.600 -0.197 0.000 1.044 321 K CA -0.287 55.937 56.287 -0.104 0.000 0.944 321 K CB 1.570 34.033 32.500 -0.063 0.000 1.012 321 K HN 0.352 nan 8.250 nan 0.000 0.472 322 V N 2.081 121.756 119.914 -0.398 0.000 2.417 322 V HA 0.672 4.792 4.120 0.001 0.000 0.291 322 V C 0.256 176.087 176.094 -0.439 0.000 1.024 322 V CA -0.707 61.283 62.300 -0.517 0.000 0.861 322 V CB 1.670 32.903 31.823 -0.983 0.000 0.985 322 V HN 0.945 nan 8.190 nan 0.000 0.436 323 G N 3.568 112.217 108.800 -0.251 0.000 2.659 323 G HA2 0.690 4.650 3.960 0.001 0.000 0.296 323 G HA3 0.690 4.650 3.960 0.001 0.000 0.296 323 G C -1.587 173.268 174.900 -0.074 0.000 1.369 323 G CA -0.574 44.445 45.100 -0.135 0.000 0.937 323 G HN 0.704 nan 8.290 nan 0.000 0.485 324 Q N 0.432 120.228 119.800 -0.007 0.000 2.315 324 Q HA 0.673 5.013 4.340 0.001 0.000 0.273 324 Q C -1.976 174.196 176.000 0.288 0.000 1.053 324 Q CA -0.754 55.109 55.803 0.101 0.000 0.817 324 Q CB 2.198 30.961 28.738 0.041 0.000 1.326 324 Q HN 0.358 nan 8.270 nan 0.000 0.423 325 L N 2.846 124.275 121.223 0.342 0.000 2.322 325 L HA 0.443 4.783 4.340 0.001 0.000 0.281 325 L C -0.491 176.688 176.870 0.514 0.000 1.014 325 L CA -0.359 54.731 54.840 0.417 0.000 0.815 325 L CB 1.803 43.984 42.059 0.204 0.000 1.247 325 L HN 0.701 nan 8.230 nan 0.000 0.421 326 Q N 2.465 122.508 119.800 0.405 0.000 2.261 326 Q HA 0.677 5.017 4.340 0.001 0.000 0.252 326 Q C -1.392 174.797 176.000 0.315 0.000 0.915 326 Q CA 0.206 56.159 55.803 0.250 0.000 0.915 326 Q CB 1.071 29.691 28.738 -0.197 0.000 1.204 326 Q HN 0.562 nan 8.270 nan 0.000 0.421 327 L N 1.294 122.654 121.223 0.229 0.000 2.279 327 L HA 0.618 4.958 4.340 0.001 0.000 0.262 327 L C 0.036 176.927 176.870 0.035 0.000 1.019 327 L CA -1.056 53.860 54.840 0.127 0.000 0.823 327 L CB 2.065 44.138 42.059 0.024 0.000 1.358 327 L HN 0.862 nan 8.230 nan 0.000 0.432 328 S N -1.310 114.369 115.700 -0.036 0.000 2.608 328 S HA 0.165 4.635 4.470 0.001 0.000 0.261 328 S C 0.231 174.785 174.600 -0.076 0.000 1.314 328 S CA -0.159 57.947 58.200 -0.157 0.000 0.992 328 S CB 0.282 63.277 63.200 -0.342 0.000 0.935 328 S HN 0.781 nan 8.310 nan 0.000 0.564 329 H N 0.027 119.088 119.070 -0.017 0.000 2.862 329 H HA -0.164 4.392 4.556 0.001 0.000 0.290 329 H C 0.071 175.386 175.328 -0.021 0.000 1.211 329 H CA 0.752 56.789 56.048 -0.018 0.000 1.140 329 H CB -2.648 27.097 29.762 -0.029 0.000 1.341 329 H HN 0.955 nan 8.280 nan 0.000 0.392 330 N N -0.786 117.947 118.700 0.055 0.000 2.710 330 N HA -0.207 4.533 4.740 0.001 0.000 0.249 330 N C -0.480 175.053 175.510 0.038 0.000 1.059 330 N CA 0.884 53.958 53.050 0.040 0.000 0.720 330 N CB -0.530 37.957 38.487 -0.000 0.000 0.983 330 N HN 0.415 nan 8.380 nan 0.000 0.544 331 L N -0.179 121.086 121.223 0.069 0.000 2.342 331 L HA 0.696 5.036 4.340 0.001 0.000 0.271 331 L C 0.398 177.366 176.870 0.162 0.000 1.008 331 L CA -0.764 54.121 54.840 0.075 0.000 0.818 331 L CB 1.890 43.971 42.059 0.037 0.000 1.296 331 L HN 0.197 nan 8.230 nan 0.000 0.427 332 S N 1.742 117.588 115.700 0.243 0.000 2.599 332 S HA 0.718 5.189 4.470 0.001 0.000 0.287 332 S C -1.143 173.648 174.600 0.318 0.000 1.105 332 S CA -0.835 57.553 58.200 0.314 0.000 0.899 332 S CB 2.156 65.570 63.200 0.356 0.000 1.100 332 S HN 0.447 nan 8.310 nan 0.000 0.482 333 L N 2.291 123.733 121.223 0.365 0.000 2.265 333 L HA 0.746 5.086 4.340 0.001 0.000 0.289 333 L C -1.284 175.747 176.870 0.268 0.000 1.033 333 L CA -0.340 54.708 54.840 0.346 0.000 0.814 333 L CB 1.109 43.436 42.059 0.447 0.000 1.203 333 L HN 0.651 nan 8.230 nan 0.000 0.423 334 V N 6.791 126.843 119.914 0.230 0.000 2.459 334 V HA 0.533 4.653 4.120 0.001 0.000 0.295 334 V C -0.050 176.137 176.094 0.155 0.000 1.029 334 V CA -0.401 61.966 62.300 0.111 0.000 0.874 334 V CB 1.746 33.563 31.823 -0.009 0.000 0.985 334 V HN 0.638 nan 8.190 nan 0.000 0.438 335 I N 5.475 126.090 120.570 0.074 0.000 2.498 335 I HA 0.497 4.668 4.170 0.001 0.000 0.290 335 I C -0.892 175.242 176.117 0.029 0.000 1.032 335 I CA -0.431 60.939 61.300 0.118 0.000 1.073 335 I CB 1.972 39.981 38.000 0.015 0.000 1.251 335 I HN 0.325 nan 8.210 nan 0.000 0.426 336 L N 7.016 128.302 121.223 0.104 0.000 2.325 336 L HA 0.694 5.034 4.340 0.001 0.000 0.281 336 L C -0.661 176.284 176.870 0.124 0.000 1.004 336 L CA -0.904 53.961 54.840 0.041 0.000 0.823 336 L CB 1.801 43.868 42.059 0.013 0.000 1.236 336 L HN 0.349 nan 8.230 nan 0.000 0.415 337 V N 4.568 124.518 119.914 0.061 0.000 2.540 337 V HA 0.617 4.738 4.120 0.001 0.000 0.302 337 V C -2.380 173.759 176.094 0.075 0.000 1.035 337 V CA -2.261 60.101 62.300 0.103 0.000 0.873 337 V CB 2.547 34.400 31.823 0.050 0.000 0.992 337 V HN 0.476 nan 8.190 nan 0.000 0.428 338 P HA -0.007 nan 4.420 nan 0.000 0.263 338 P C 0.451 177.810 177.300 0.098 0.000 1.175 338 P CA 0.430 63.599 63.100 0.115 0.000 0.761 338 P CB 0.313 32.094 31.700 0.134 0.000 0.794 339 Q N 2.556 122.430 119.800 0.124 0.000 2.378 339 Q HA -0.116 4.224 4.340 0.001 0.000 0.205 339 Q C -0.061 175.985 176.000 0.077 0.000 0.954 339 Q CA 0.903 56.760 55.803 0.091 0.000 0.901 339 Q CB -0.252 28.546 28.738 0.099 0.000 0.981 339 Q HN 0.612 nan 8.270 nan 0.000 0.483 340 N N -1.870 116.881 118.700 0.086 0.000 3.387 340 N HA 0.140 4.880 4.740 0.001 0.000 0.294 340 N C -0.159 175.338 175.510 -0.023 0.000 1.519 340 N CA -0.744 52.315 53.050 0.015 0.000 0.875 340 N CB -0.008 38.472 38.487 -0.012 0.000 1.657 340 N HN -0.054 nan 8.380 nan 0.000 0.527 341 L N -1.120 120.066 121.223 -0.060 0.000 2.395 341 L HA 0.121 4.461 4.340 0.001 0.000 0.218 341 L C 2.558 179.355 176.870 -0.122 0.000 1.130 341 L CA 1.299 56.098 54.840 -0.068 0.000 0.826 341 L CB -0.914 41.106 42.059 -0.065 0.000 0.941 341 L HN 0.845 nan 8.230 nan 0.000 0.451 342 K N -0.019 120.234 120.400 -0.244 0.000 2.362 342 K HA -0.096 4.225 4.320 0.001 0.000 0.200 342 K C 0.247 176.582 176.600 -0.442 0.000 1.046 342 K CA 1.081 57.133 56.287 -0.392 0.000 0.952 342 K CB -0.920 31.245 32.500 -0.558 0.000 0.753 342 K HN 0.509 nan 8.250 nan 0.000 0.466 343 H N -0.456 118.627 119.070 0.022 0.000 2.547 343 H HA 0.420 4.976 4.556 0.001 0.000 0.342 343 H C -0.405 174.950 175.328 0.045 0.000 1.048 343 H CA -1.106 54.962 56.048 0.034 0.000 1.204 343 H CB 1.607 31.391 29.762 0.036 0.000 1.493 343 H HN 0.158 nan 8.280 nan 0.000 0.511 344 R N 1.787 122.392 120.500 0.174 0.000 2.531 344 R HA 0.065 4.406 4.340 0.001 0.000 0.273 344 R C 0.879 177.285 176.300 0.177 0.000 1.070 344 R CA -0.703 55.486 56.100 0.149 0.000 1.112 344 R CB 1.432 31.821 30.300 0.149 0.000 1.049 344 R HN 0.509 nan 8.270 nan 0.000 0.508 345 L N 2.432 123.781 121.223 0.209 0.000 2.127 345 L HA -0.207 4.133 4.340 0.001 0.000 0.211 345 L C 1.482 178.481 176.870 0.216 0.000 1.089 345 L CA 1.967 56.947 54.840 0.234 0.000 0.757 345 L CB -0.223 42.023 42.059 0.311 0.000 0.899 345 L HN 0.619 nan 8.230 nan 0.000 0.434 346 E N -0.372 119.956 120.200 0.213 0.000 2.077 346 E HA -0.193 4.157 4.350 0.001 0.000 0.193 346 E C 1.833 178.505 176.600 0.120 0.000 0.989 346 E CA 1.422 57.906 56.400 0.140 0.000 0.800 346 E CB -0.399 29.356 29.700 0.092 0.000 0.746 346 E HN 0.547 nan 8.360 nan 0.000 0.452 347 D N 0.503 120.972 120.400 0.115 0.000 2.117 347 D HA -0.174 4.466 4.640 0.001 0.000 0.197 347 D C 1.933 178.280 176.300 0.079 0.000 0.987 347 D CA 0.923 54.973 54.000 0.085 0.000 0.829 347 D CB -0.366 40.483 40.800 0.082 0.000 0.961 347 D HN 0.182 nan 8.370 nan 0.000 0.460 348 M N 0.808 120.465 119.600 0.096 0.000 2.080 348 M HA -0.221 4.259 4.480 0.001 0.000 0.260 348 M C 1.873 178.237 176.300 0.107 0.000 1.068 348 M CA 1.677 57.027 55.300 0.083 0.000 1.109 348 M CB -0.021 32.636 32.600 0.095 0.000 1.342 348 M HN -0.110 nan 8.290 nan 0.000 0.405 349 E N -0.317 119.973 120.200 0.151 0.000 2.085 349 E HA -0.268 4.082 4.350 0.001 0.000 0.194 349 E C 2.066 178.820 176.600 0.256 0.000 0.994 349 E CA 1.443 57.977 56.400 0.223 0.000 0.801 349 E CB -0.183 29.699 29.700 0.303 0.000 0.743 349 E HN 0.594 nan 8.360 nan 0.000 0.453 350 Q N -0.151 119.726 119.800 0.130 0.000 2.311 350 Q HA -0.022 4.319 4.340 0.001 0.000 0.203 350 Q C 1.816 177.824 176.000 0.014 0.000 0.954 350 Q CA 0.891 56.703 55.803 0.015 0.000 0.885 350 Q CB 0.166 28.904 28.738 0.000 0.000 0.963 350 Q HN 0.221 nan 8.270 nan 0.000 0.471 351 A N 0.460 123.311 122.820 0.052 0.000 2.119 351 A HA -0.024 4.296 4.320 0.001 0.000 0.216 351 A C 1.145 178.775 177.584 0.076 0.000 1.152 351 A CA 0.023 52.086 52.037 0.043 0.000 0.708 351 A CB -0.096 18.922 19.000 0.029 0.000 0.805 351 A HN 0.322 nan 8.150 nan 0.000 0.460 352 L N 2.516 123.815 121.223 0.128 0.000 2.382 352 L HA 0.195 4.535 4.340 0.001 0.000 0.259 352 L C 0.782 177.778 176.870 0.209 0.000 1.291 352 L CA -0.170 54.772 54.840 0.170 0.000 1.176 352 L CB -1.048 41.113 42.059 0.169 0.000 1.373 352 L HN 0.343 nan 8.230 nan 0.000 0.426 353 S N 2.670 118.458 115.700 0.147 0.000 2.614 353 S HA 0.408 4.878 4.470 0.001 0.000 0.265 353 S C -1.622 173.078 174.600 0.166 0.000 1.303 353 S CA -0.937 57.342 58.200 0.133 0.000 1.000 353 S CB 0.497 63.748 63.200 0.084 0.000 0.935 353 S HN 0.392 nan 8.310 nan 0.000 0.551 354 P HA -0.135 nan 4.420 nan 0.000 0.215 354 P C 1.832 179.250 177.300 0.197 0.000 1.153 354 P CA 1.821 65.010 63.100 0.148 0.000 0.853 354 P CB -0.237 31.527 31.700 0.107 0.000 0.788 355 S N -1.217 114.569 115.700 0.143 0.000 2.368 355 S HA -0.113 4.357 4.470 0.001 0.000 0.224 355 S C 2.060 176.733 174.600 0.123 0.000 1.029 355 S CA 1.297 59.571 58.200 0.123 0.000 0.988 355 S CB -1.742 61.508 63.200 0.083 0.000 0.838 355 S HN -0.058 nan 8.310 nan 0.000 0.462 356 V N 1.549 121.536 119.914 0.122 0.000 2.295 356 V HA -0.134 3.987 4.120 0.001 0.000 0.246 356 V C 2.120 178.286 176.094 0.119 0.000 1.049 356 V CA 2.210 64.571 62.300 0.102 0.000 1.024 356 V CB -1.003 30.877 31.823 0.094 0.000 0.648 356 V HN 0.560 nan 8.190 nan 0.000 0.447 357 F N 1.182 121.145 119.950 0.023 0.000 2.095 357 F HA -0.259 4.268 4.527 0.000 0.000 0.298 357 F C 2.412 178.205 175.800 -0.013 0.000 1.104 357 F CA 2.175 60.171 58.000 -0.006 0.000 1.232 357 F CB -0.226 38.779 39.000 0.008 0.000 0.987 357 F HN 0.021 nan 8.300 nan 0.000 0.475 358 K N 0.284 120.843 120.400 0.266 0.000 2.057 358 K HA -0.121 4.199 4.320 0.001 0.000 0.207 358 K C 2.307 178.919 176.600 0.021 0.000 1.049 358 K CA 1.256 57.644 56.287 0.167 0.000 0.931 358 K CB -0.572 32.071 32.500 0.238 0.000 0.714 358 K HN 0.379 nan 8.250 nan 0.000 0.440 359 A N 1.233 124.067 122.820 0.023 0.000 1.933 359 A HA -0.138 4.183 4.320 0.001 0.000 0.218 359 A C 2.131 179.687 177.584 -0.048 0.000 1.175 359 A CA 1.238 53.271 52.037 -0.007 0.000 0.628 359 A CB -0.555 18.449 19.000 0.007 0.000 0.814 359 A HN 0.175 nan 8.150 nan 0.000 0.444 360 I N -0.614 119.912 120.570 -0.073 0.000 2.179 360 I HA -0.284 3.886 4.170 0.001 0.000 0.242 360 I C 2.486 178.512 176.117 -0.151 0.000 1.088 360 I CA 1.263 62.529 61.300 -0.056 0.000 1.357 360 I CB -0.213 37.698 38.000 -0.147 0.000 1.051 360 I HN 0.253 nan 8.210 nan 0.000 0.409 361 M N -0.440 118.944 119.600 -0.361 0.000 2.229 361 M HA -0.134 4.347 4.480 0.001 0.000 0.264 361 M C 2.136 178.344 176.300 -0.155 0.000 1.063 361 M CA 1.442 56.488 55.300 -0.424 0.000 1.114 361 M CB -1.165 31.026 32.600 -0.681 0.000 1.387 361 M HN 0.183 nan 8.290 nan 0.000 0.420 362 E N 0.497 120.652 120.200 -0.075 0.000 2.028 362 E HA -0.179 4.171 4.350 0.001 0.000 0.191 362 E C 2.024 178.591 176.600 -0.056 0.000 0.988 362 E CA 1.147 57.532 56.400 -0.024 0.000 0.799 362 E CB -0.299 29.395 29.700 -0.010 0.000 0.755 362 E HN 0.517 nan 8.360 nan 0.000 0.447 363 K N 0.577 120.919 120.400 -0.096 0.000 2.057 363 K HA -0.140 4.181 4.320 0.001 0.000 0.206 363 K C 2.249 178.773 176.600 -0.125 0.000 1.050 363 K CA 0.650 56.820 56.287 -0.194 0.000 0.935 363 K CB -0.155 32.112 32.500 -0.389 0.000 0.715 363 K HN -0.030 nan 8.250 nan 0.000 0.439 364 L N 2.457 123.706 121.223 0.043 0.000 2.043 364 L HA -0.213 4.127 4.340 0.001 0.000 0.212 364 L C 2.174 179.034 176.870 -0.017 0.000 1.075 364 L CA 2.263 57.172 54.840 0.115 0.000 0.752 364 L CB -0.652 41.413 42.059 0.009 0.000 0.891 364 L HN 0.424 nan 8.230 nan 0.000 0.432 365 E N -1.443 118.744 120.200 -0.021 0.000 2.418 365 E HA -0.205 4.145 4.350 0.001 0.000 0.197 365 E C 1.637 178.238 176.600 0.003 0.000 1.026 365 E CA 1.068 57.479 56.400 0.018 0.000 0.862 365 E CB -0.247 29.496 29.700 0.072 0.000 0.799 365 E HN 0.586 nan 8.360 nan 0.000 0.518 366 M N 0.781 120.360 119.600 -0.036 0.000 2.371 366 M HA 0.196 4.676 4.480 0.001 0.000 0.246 366 M C -0.013 176.241 176.300 -0.076 0.000 1.103 366 M CA -0.261 55.011 55.300 -0.046 0.000 1.010 366 M CB 1.108 33.672 32.600 -0.060 0.000 1.457 366 M HN -0.122 nan 8.290 nan 0.000 0.486 367 S N 1.809 117.447 115.700 -0.103 0.000 2.565 367 S HA 0.466 4.936 4.470 0.001 0.000 0.274 367 S C 0.398 174.892 174.600 -0.176 0.000 1.309 367 S CA -0.588 57.533 58.200 -0.131 0.000 1.043 367 S CB 0.879 64.029 63.200 -0.083 0.000 0.939 367 S HN 0.401 nan 8.310 nan 0.000 0.504 368 K N 2.282 122.605 120.400 -0.128 0.000 2.270 368 K HA 0.428 4.749 4.320 0.001 0.000 0.276 368 K C -0.425 176.087 176.600 -0.147 0.000 1.023 368 K CA -0.243 55.998 56.287 -0.077 0.000 0.955 368 K CB -0.139 32.355 32.500 -0.010 0.000 0.975 368 K HN 0.529 nan 8.250 nan 0.000 0.471 369 F N 1.738 121.703 119.950 0.025 0.000 2.484 369 F HA 0.231 4.759 4.527 0.001 0.000 0.360 369 F C 1.290 177.105 175.800 0.024 0.000 1.101 369 F CA 0.654 58.676 58.000 0.036 0.000 1.251 369 F CB 1.136 40.143 39.000 0.011 0.000 1.132 369 F HN 0.693 nan 8.300 nan 0.000 0.570 370 Q N 3.492 123.421 119.800 0.214 0.000 2.416 370 Q HA 0.564 4.904 4.340 0.001 0.000 0.281 370 Q C -3.179 172.910 176.000 0.148 0.000 1.067 370 Q CA -2.711 53.178 55.803 0.142 0.000 0.809 370 Q CB 2.302 31.098 28.738 0.096 0.000 1.418 370 Q HN 0.170 nan 8.270 nan 0.000 0.411 371 P HA 0.154 nan 4.420 nan 0.000 0.271 371 P C -1.025 176.316 177.300 0.069 0.000 1.220 371 P CA 0.165 63.294 63.100 0.048 0.000 0.768 371 P CB 0.840 32.549 31.700 0.015 0.000 0.848 372 T N 3.182 117.764 114.554 0.047 0.000 3.071 372 T HA 0.276 4.626 4.350 0.001 0.000 0.311 372 T C -0.609 174.082 174.700 -0.014 0.000 1.042 372 T CA -0.570 61.528 62.100 -0.003 0.000 1.028 372 T CB 0.843 69.650 68.868 -0.101 0.000 1.068 372 T HN 0.205 nan 8.240 nan 0.000 0.451 373 L N 4.128 125.334 121.223 -0.029 0.000 2.534 373 L HA 0.549 4.890 4.340 0.001 0.000 0.271 373 L C -1.046 175.789 176.870 -0.058 0.000 1.178 373 L CA 0.049 54.873 54.840 -0.027 0.000 0.907 373 L CB -0.086 41.959 42.059 -0.022 0.000 1.164 373 L HN 0.552 nan 8.230 nan 0.000 0.482 374 L N 5.135 126.331 121.223 -0.045 0.000 2.381 374 L HA 0.621 4.961 4.340 0.001 0.000 0.274 374 L C -0.252 176.583 176.870 -0.058 0.000 0.988 374 L CA 0.060 54.848 54.840 -0.086 0.000 0.824 374 L CB 1.948 43.926 42.059 -0.135 0.000 1.263 374 L HN 0.801 nan 8.230 nan 0.000 0.410 375 T N 2.702 117.199 114.554 -0.095 0.000 3.155 375 T HA 0.445 4.796 4.350 0.001 0.000 0.384 375 T C -0.602 174.005 174.700 -0.155 0.000 1.351 375 T CA -0.488 61.558 62.100 -0.091 0.000 1.198 375 T CB 0.253 69.087 68.868 -0.057 0.000 1.106 375 T HN 0.375 nan 8.240 nan 0.000 0.564 376 L N 4.870 125.961 121.223 -0.219 0.000 2.265 376 L HA 0.533 4.873 4.340 0.001 0.000 0.288 376 L C -2.558 174.161 176.870 -0.252 0.000 1.058 376 L CA -2.182 52.479 54.840 -0.298 0.000 0.809 376 L CB 0.724 42.512 42.059 -0.452 0.000 1.179 376 L HN 0.292 nan 8.230 nan 0.000 0.429 377 P HA 0.045 nan 4.420 nan 0.000 0.265 377 P C -0.941 176.289 177.300 -0.117 0.000 1.193 377 P CA 0.089 63.138 63.100 -0.086 0.000 0.765 377 P CB 0.274 32.011 31.700 0.063 0.000 0.823 378 R N 4.420 124.848 120.500 -0.121 0.000 3.657 378 R HA 0.238 4.579 4.340 0.001 0.000 0.220 378 R C -0.030 176.217 176.300 -0.088 0.000 1.548 378 R CA -0.476 55.547 56.100 -0.129 0.000 1.465 378 R CB -0.884 29.339 30.300 -0.128 0.000 1.330 378 R HN 0.514 nan 8.270 nan 0.000 0.707 379 I N 3.002 123.518 120.570 -0.090 0.000 2.668 379 I HA -0.077 4.093 4.170 0.001 0.000 0.285 379 I C 0.475 176.551 176.117 -0.069 0.000 1.168 379 I CA 0.846 62.093 61.300 -0.087 0.000 1.424 379 I CB 0.444 38.330 38.000 -0.189 0.000 1.377 379 I HN 0.265 nan 8.210 nan 0.000 0.560 380 K N 6.891 127.272 120.400 -0.033 0.000 2.450 380 K HA 0.598 4.918 4.320 0.001 0.000 0.257 380 K C -1.677 174.944 176.600 0.034 0.000 0.953 380 K CA -0.552 55.729 56.287 -0.010 0.000 0.844 380 K CB 1.970 34.462 32.500 -0.013 0.000 1.103 380 K HN 0.405 nan 8.250 nan 0.000 0.429 381 V N 3.607 123.560 119.914 0.065 0.000 2.638 381 V HA 0.565 4.685 4.120 0.001 0.000 0.306 381 V C -1.453 174.720 176.094 0.131 0.000 1.052 381 V CA -0.141 62.236 62.300 0.127 0.000 0.885 381 V CB 2.239 34.178 31.823 0.194 0.000 0.999 381 V HN 0.865 nan 8.190 nan 0.000 0.424 382 T N 4.762 119.398 114.554 0.136 0.000 2.809 382 T HA 0.592 4.942 4.350 0.001 0.000 0.284 382 T C -0.564 174.231 174.700 0.158 0.000 0.992 382 T CA -0.333 61.845 62.100 0.130 0.000 0.957 382 T CB 1.439 70.362 68.868 0.091 0.000 0.942 382 T HN 0.773 nan 8.240 nan 0.000 0.439 383 T N 2.682 117.340 114.554 0.173 0.000 2.879 383 T HA 0.582 4.933 4.350 0.001 0.000 0.290 383 T C -0.482 174.314 174.700 0.160 0.000 0.993 383 T CA -0.668 61.554 62.100 0.204 0.000 0.975 383 T CB 1.380 70.424 68.868 0.294 0.000 0.981 383 T HN 0.472 nan 8.240 nan 0.000 0.439 384 S N 2.684 118.470 115.700 0.143 0.000 2.503 384 S HA 0.777 5.248 4.470 0.001 0.000 0.301 384 S C -0.832 173.839 174.600 0.119 0.000 1.087 384 S CA -0.854 57.409 58.200 0.106 0.000 1.042 384 S CB 1.950 65.194 63.200 0.073 0.000 1.043 384 S HN 0.679 nan 8.310 nan 0.000 0.489 385 Q N 1.374 121.233 119.800 0.097 0.000 2.352 385 Q HA 0.267 4.607 4.340 0.001 0.000 0.270 385 Q C -2.125 173.882 176.000 0.012 0.000 1.006 385 Q CA -0.450 55.375 55.803 0.037 0.000 0.880 385 Q CB 1.480 30.195 28.738 -0.038 0.000 1.392 385 Q HN 0.518 nan 8.270 nan 0.000 0.401 386 D N 4.223 124.606 120.400 -0.028 0.000 2.367 386 D HA 0.050 4.690 4.640 0.001 0.000 0.255 386 D C 0.395 176.633 176.300 -0.102 0.000 1.300 386 D CA 0.211 54.186 54.000 -0.041 0.000 0.959 386 D CB 0.605 41.380 40.800 -0.041 0.000 1.064 386 D HN 0.623 nan 8.370 nan 0.000 0.509 387 M N 3.352 122.901 119.600 -0.085 0.000 2.492 387 M HA -0.065 4.415 4.480 0.001 0.000 0.262 387 M C 1.690 177.928 176.300 -0.103 0.000 1.090 387 M CA 0.237 55.439 55.300 -0.164 0.000 1.110 387 M CB -0.293 32.216 32.600 -0.151 0.000 1.407 387 M HN 0.411 nan 8.290 nan 0.000 0.470 388 L N 0.425 121.624 121.223 -0.039 0.000 2.083 388 L HA -0.177 4.163 4.340 0.001 0.000 0.209 388 L C 2.617 179.474 176.870 -0.022 0.000 1.083 388 L CA 1.974 56.817 54.840 0.004 0.000 0.752 388 L CB -0.478 41.592 42.059 0.018 0.000 0.899 388 L HN 0.389 nan 8.230 nan 0.000 0.433 389 S N -1.227 114.437 115.700 -0.060 0.000 2.428 389 S HA -0.100 4.370 4.470 0.001 0.000 0.230 389 S C 1.964 176.509 174.600 -0.093 0.000 1.014 389 S CA 1.133 59.294 58.200 -0.065 0.000 0.957 389 S CB -0.646 62.514 63.200 -0.067 0.000 0.784 389 S HN 0.488 nan 8.310 nan 0.000 0.499 390 I N 1.028 121.503 120.570 -0.157 0.000 2.277 390 I HA -0.049 4.122 4.170 0.001 0.000 0.243 390 I C 2.775 178.811 176.117 -0.135 0.000 1.094 390 I CA 1.340 62.516 61.300 -0.208 0.000 1.393 390 I CB -0.405 37.344 38.000 -0.419 0.000 1.078 390 I HN 0.364 nan 8.210 nan 0.000 0.417 391 M N 0.927 120.468 119.600 -0.099 0.000 2.202 391 M HA -0.246 4.234 4.480 0.001 0.000 0.262 391 M C 1.953 178.273 176.300 0.034 0.000 1.063 391 M CA 1.911 57.205 55.300 -0.010 0.000 1.097 391 M CB -0.228 32.408 32.600 0.060 0.000 1.382 391 M HN 0.093 nan 8.290 nan 0.000 0.413 392 E N 0.838 121.058 120.200 0.034 0.000 2.347 392 E HA -0.105 4.245 4.350 0.001 0.000 0.196 392 E C 1.416 178.031 176.600 0.025 0.000 1.008 392 E CA 1.175 57.613 56.400 0.063 0.000 0.852 392 E CB -0.213 29.516 29.700 0.048 0.000 0.783 392 E HN 0.517 nan 8.360 nan 0.000 0.505 393 K N -0.243 120.154 120.400 -0.006 0.000 2.439 393 K HA 0.024 4.344 4.320 0.001 0.000 0.197 393 K C 1.300 177.911 176.600 0.018 0.000 1.041 393 K CA 0.519 56.799 56.287 -0.011 0.000 0.970 393 K CB 0.077 32.560 32.500 -0.029 0.000 0.773 393 K HN 0.243 nan 8.250 nan 0.000 0.479 394 L N 0.899 122.144 121.223 0.036 0.000 2.567 394 L HA 0.040 4.381 4.340 0.001 0.000 0.225 394 L C 0.445 177.366 176.870 0.085 0.000 1.119 394 L CA 0.138 55.012 54.840 0.058 0.000 0.871 394 L CB -0.197 41.902 42.059 0.066 0.000 1.036 394 L HN 0.198 nan 8.230 nan 0.000 0.459 395 E N -2.030 118.230 120.200 0.099 0.000 2.392 395 E HA 0.257 4.608 4.350 0.001 0.000 0.269 395 E C -0.056 176.634 176.600 0.151 0.000 0.924 395 E CA -0.771 55.716 56.400 0.144 0.000 0.784 395 E CB 1.401 31.202 29.700 0.168 0.000 1.292 395 E HN -0.187 nan 8.360 nan 0.000 0.447 396 F N 0.853 120.814 119.950 0.018 0.000 2.152 396 F HA 0.329 4.856 4.527 0.000 0.000 0.274 396 F C 0.347 176.082 175.800 -0.109 0.000 1.136 396 F CA 0.160 58.103 58.000 -0.095 0.000 1.117 396 F CB 0.103 39.017 39.000 -0.142 0.000 1.060 396 F HN 0.451 nan 8.300 nan 0.000 0.509 397 F N 1.708 121.766 119.950 0.180 0.000 2.518 397 F HA 0.090 4.618 4.527 0.001 0.000 0.359 397 F C 0.506 176.363 175.800 0.095 0.000 1.118 397 F CA -0.373 57.665 58.000 0.062 0.000 1.287 397 F CB 0.068 39.141 39.000 0.122 0.000 1.132 397 F HN 0.031 nan 8.300 nan 0.000 0.587 398 D N 3.910 124.486 120.400 0.293 0.000 2.317 398 D HA -0.042 4.599 4.640 0.001 0.000 0.252 398 D C 0.833 177.294 176.300 0.268 0.000 1.174 398 D CA -0.281 53.876 54.000 0.262 0.000 0.866 398 D CB 0.517 41.482 40.800 0.276 0.000 1.127 398 D HN 0.432 nan 8.370 nan 0.000 0.467 399 F N 3.049 123.092 119.950 0.156 0.000 2.269 399 F HA -0.167 4.361 4.527 0.000 0.000 0.301 399 F C 2.045 177.899 175.800 0.090 0.000 1.082 399 F CA 1.186 59.253 58.000 0.112 0.000 1.360 399 F CB -0.641 38.399 39.000 0.067 0.000 1.041 399 F HN 0.308 nan 8.300 nan 0.000 0.512 400 S N -0.253 114.892 115.700 -0.926 0.000 2.402 400 S HA -0.233 4.238 4.470 0.001 0.000 0.229 400 S C 1.769 176.101 174.600 -0.446 0.000 1.021 400 S CA 0.921 58.546 58.200 -0.958 0.000 0.974 400 S CB -1.493 61.159 63.200 -0.913 0.000 0.800 400 S HN 0.552 nan 8.310 nan 0.000 0.484 401 Y N 1.942 122.109 120.300 -0.221 0.000 2.497 401 Y HA 0.093 4.643 4.550 0.001 0.000 0.292 401 Y C 1.322 177.174 175.900 -0.079 0.000 1.137 401 Y CA 0.958 58.987 58.100 -0.118 0.000 1.285 401 Y CB -0.041 38.375 38.460 -0.073 0.000 0.991 401 Y HN 0.380 nan 8.280 nan 0.000 0.556 402 D N -0.310 120.133 120.400 0.071 0.000 2.571 402 D HA 0.075 4.716 4.640 0.001 0.000 0.239 402 D C -0.249 176.084 176.300 0.055 0.000 1.267 402 D CA -0.213 53.824 54.000 0.061 0.000 0.823 402 D CB 0.215 41.062 40.800 0.077 0.000 1.056 402 D HN 0.086 nan 8.370 nan 0.000 0.494 403 L N 2.399 123.625 121.223 0.006 0.000 2.737 403 L HA -0.077 4.263 4.340 0.001 0.000 0.279 403 L C -0.067 176.829 176.870 0.043 0.000 1.200 403 L CA 0.501 55.365 54.840 0.039 0.000 0.952 403 L CB -0.103 41.923 42.059 -0.055 0.000 1.240 403 L HN -0.132 nan 8.230 nan 0.000 0.486 404 N N 5.725 124.470 118.700 0.075 0.000 2.626 404 N HA 0.253 4.993 4.740 0.001 0.000 0.249 404 N C -0.778 174.752 175.510 0.033 0.000 1.021 404 N CA -0.372 52.703 53.050 0.042 0.000 0.886 404 N CB 0.518 39.033 38.487 0.046 0.000 1.149 404 N HN 0.715 nan 8.380 nan 0.000 0.517 405 L N 3.184 124.408 121.223 0.001 0.000 3.073 405 L HA 0.200 4.540 4.340 0.001 0.000 0.242 405 L C 1.662 178.504 176.870 -0.047 0.000 1.317 405 L CA -0.435 54.387 54.840 -0.030 0.000 1.081 405 L CB -0.219 41.798 42.059 -0.070 0.000 1.456 405 L HN 0.618 nan 8.230 nan 0.000 0.525 406 c N -2.762 115.827 118.600 -0.018 0.000 2.437 406 c HA 0.008 4.578 4.570 0.001 0.000 0.283 406 c C 2.498 176.582 174.090 -0.011 0.000 1.424 406 c CA 0.436 56.755 56.329 -0.017 0.000 1.782 406 c CB -1.438 41.071 42.510 -0.002 0.000 1.833 406 c HN 0.637 nan 8.230 nan 0.000 0.532 407 G N 0.817 109.621 108.800 0.006 0.000 2.422 407 G HA2 -0.100 3.860 3.960 0.001 0.000 0.218 407 G HA3 -0.100 3.860 3.960 0.001 0.000 0.218 407 G C 1.603 176.537 174.900 0.056 0.000 1.140 407 G CA 0.944 46.076 45.100 0.053 0.000 0.775 407 G HN 0.625 nan 8.290 nan 0.000 0.545 408 L N -1.112 120.038 121.223 -0.121 0.000 2.202 408 L HA 0.341 4.681 4.340 0.001 0.000 0.205 408 L C 0.850 177.569 176.870 -0.251 0.000 1.083 408 L CA 1.298 55.880 54.840 -0.430 0.000 0.790 408 L CB 0.652 42.290 42.059 -0.702 0.000 0.942 408 L HN 0.234 nan 8.230 nan 0.000 0.452 409 T N -2.289 112.175 114.554 -0.150 0.000 2.886 409 T HA 0.139 4.489 4.350 0.001 0.000 0.330 409 T C 0.021 174.686 174.700 -0.058 0.000 1.488 409 T CA -0.560 61.481 62.100 -0.098 0.000 1.054 409 T CB 1.417 70.216 68.868 -0.116 0.000 1.348 409 T HN 0.211 nan 8.240 nan 0.000 0.489 410 E N 0.938 121.116 120.200 -0.037 0.000 2.285 410 E HA -0.007 4.343 4.350 0.001 0.000 0.194 410 E C 0.165 176.750 176.600 -0.024 0.000 0.997 410 E CA 0.034 56.420 56.400 -0.024 0.000 0.845 410 E CB 0.193 29.884 29.700 -0.015 0.000 0.782 410 E HN 0.528 nan 8.360 nan 0.000 0.491 411 D N 1.515 121.898 120.400 -0.029 0.000 2.472 411 D HA -0.044 4.596 4.640 0.001 0.000 0.248 411 D C -1.394 174.888 176.300 -0.030 0.000 1.174 411 D CA -1.042 52.943 54.000 -0.027 0.000 0.883 411 D CB 1.155 41.939 40.800 -0.027 0.000 1.149 411 D HN 0.021 nan 8.370 nan 0.000 0.488 412 P HA 0.064 nan 4.420 nan 0.000 0.245 412 P C 0.338 177.622 177.300 -0.027 0.000 1.203 412 P CA 0.393 63.479 63.100 -0.023 0.000 0.792 412 P CB 0.165 31.855 31.700 -0.016 0.000 0.997 413 D N 0.697 121.080 120.400 -0.028 0.000 2.434 413 D HA 0.249 4.890 4.640 0.001 0.000 0.232 413 D C 0.594 176.870 176.300 -0.040 0.000 1.166 413 D CA -0.145 53.837 54.000 -0.031 0.000 0.830 413 D CB -0.584 40.200 40.800 -0.026 0.000 0.960 413 D HN 0.145 nan 8.370 nan 0.000 0.497 414 L N 0.119 121.315 121.223 -0.045 0.000 2.312 414 L HA 0.481 4.821 4.340 0.001 0.000 0.281 414 L C 0.086 176.916 176.870 -0.067 0.000 1.070 414 L CA -0.415 54.393 54.840 -0.054 0.000 0.805 414 L CB 1.883 43.907 42.059 -0.058 0.000 1.174 414 L HN 0.221 nan 8.230 nan 0.000 0.434 415 Q N 1.817 121.570 119.800 -0.078 0.000 2.347 415 Q HA 0.488 4.829 4.340 0.001 0.000 0.271 415 Q C -1.381 174.551 176.000 -0.113 0.000 1.064 415 Q CA -0.523 55.213 55.803 -0.112 0.000 0.800 415 Q CB 3.288 31.951 28.738 -0.125 0.000 1.304 415 Q HN 0.319 nan 8.270 nan 0.000 0.438 416 V N 2.091 121.916 119.914 -0.148 0.000 2.370 416 V HA 0.305 4.425 4.120 0.001 0.000 0.283 416 V C 0.345 176.324 176.094 -0.192 0.000 1.023 416 V CA 0.250 62.472 62.300 -0.130 0.000 0.857 416 V CB 1.417 33.186 31.823 -0.089 0.000 0.985 416 V HN 0.980 nan 8.190 nan 0.000 0.443 417 S N 3.150 118.767 115.700 -0.139 0.000 2.687 417 S HA 0.677 5.148 4.470 0.001 0.000 0.247 417 S C 0.196 174.737 174.600 -0.099 0.000 1.050 417 S CA 0.405 58.513 58.200 -0.154 0.000 1.063 417 S CB 0.755 63.867 63.200 -0.145 0.000 1.039 417 S HN 1.225 nan 8.310 nan 0.000 0.580 418 A N 1.194 123.977 122.820 -0.062 0.000 2.601 418 A HA 0.752 5.073 4.320 0.001 0.000 0.291 418 A C -1.469 176.111 177.584 -0.008 0.000 1.075 418 A CA -0.649 51.368 52.037 -0.034 0.000 0.671 418 A CB 1.295 20.276 19.000 -0.031 0.000 1.277 418 A HN 0.556 nan 8.150 nan 0.000 0.417 419 M N 1.737 121.341 119.600 0.006 0.000 2.090 419 M HA 0.398 4.878 4.480 0.001 0.000 0.277 419 M C -0.953 175.374 176.300 0.045 0.000 0.935 419 M CA -0.552 54.765 55.300 0.029 0.000 0.966 419 M CB 1.551 34.173 32.600 0.037 0.000 1.635 419 M HN 0.887 nan 8.290 nan 0.000 0.446 420 Q N 3.788 123.621 119.800 0.055 0.000 2.289 420 Q HA 0.124 4.464 4.340 0.001 0.000 0.273 420 Q C -1.603 174.485 176.000 0.147 0.000 1.029 420 Q CA 1.062 56.911 55.803 0.076 0.000 0.896 420 Q CB 0.354 29.126 28.738 0.057 0.000 1.182 420 Q HN 0.684 nan 8.270 nan 0.000 0.385 421 H N 2.538 121.633 119.070 0.042 0.000 2.600 421 H HA 0.511 5.067 4.556 0.001 0.000 0.357 421 H C -1.657 173.737 175.328 0.111 0.000 1.106 421 H CA -0.590 55.505 56.048 0.078 0.000 1.193 421 H CB 1.261 31.061 29.762 0.064 0.000 1.594 421 H HN 0.701 nan 8.280 nan 0.000 0.526 422 Q N 3.620 123.181 119.800 -0.399 0.000 2.305 422 Q HA 0.453 4.793 4.340 0.001 0.000 0.271 422 Q C -1.428 174.394 176.000 -0.296 0.000 1.046 422 Q CA -0.818 54.844 55.803 -0.234 0.000 0.798 422 Q CB 1.905 30.618 28.738 -0.042 0.000 1.286 422 Q HN 0.740 nan 8.270 nan 0.000 0.435 423 T N 2.483 116.997 114.554 -0.066 0.000 2.824 423 T HA 0.524 4.875 4.350 0.001 0.000 0.282 423 T C -1.195 173.613 174.700 0.180 0.000 0.993 423 T CA -0.395 61.803 62.100 0.163 0.000 0.967 423 T CB 1.365 70.445 68.868 0.353 0.000 0.960 423 T HN 0.374 nan 8.240 nan 0.000 0.441 424 V N 4.920 124.940 119.914 0.176 0.000 2.409 424 V HA 0.637 4.757 4.120 0.001 0.000 0.291 424 V C -0.505 175.622 176.094 0.055 0.000 1.020 424 V CA -0.786 61.581 62.300 0.113 0.000 0.848 424 V CB 1.512 33.389 31.823 0.089 0.000 0.990 424 V HN 0.742 nan 8.190 nan 0.000 0.430 425 L N 4.414 125.654 121.223 0.028 0.000 2.410 425 L HA 0.732 5.072 4.340 0.001 0.000 0.270 425 L C -0.877 175.958 176.870 -0.057 0.000 0.983 425 L CA -0.116 54.681 54.840 -0.073 0.000 0.822 425 L CB 2.321 44.352 42.059 -0.047 0.000 1.285 425 L HN 0.700 nan 8.230 nan 0.000 0.409 426 E N 5.844 125.985 120.200 -0.098 0.000 2.265 426 E HA 0.418 4.768 4.350 0.001 0.000 0.262 426 E C -1.442 175.100 176.600 -0.096 0.000 0.889 426 E CA -0.526 55.828 56.400 -0.076 0.000 0.789 426 E CB 2.310 31.982 29.700 -0.047 0.000 1.221 426 E HN 0.506 nan 8.360 nan 0.000 0.414 427 L N 2.953 124.131 121.223 -0.075 0.000 2.292 427 L HA 0.490 4.830 4.340 0.001 0.000 0.284 427 L C 0.580 177.447 176.870 -0.004 0.000 1.065 427 L CA -0.366 54.463 54.840 -0.017 0.000 0.806 427 L CB 0.893 42.967 42.059 0.025 0.000 1.175 427 L HN 0.638 nan 8.230 nan 0.000 0.431 428 T N -1.816 112.766 114.554 0.048 0.000 2.762 428 T HA 0.332 4.682 4.350 0.001 0.000 0.272 428 T C 0.641 175.468 174.700 0.211 0.000 0.982 428 T CA -0.705 61.432 62.100 0.062 0.000 1.013 428 T CB 1.527 70.418 68.868 0.038 0.000 1.309 428 T HN 0.459 nan 8.240 nan 0.000 0.572 429 E N 0.307 120.616 120.200 0.181 0.000 2.274 429 E HA 0.032 4.383 4.350 0.001 0.000 0.194 429 E C 2.066 178.993 176.600 0.544 0.000 0.996 429 E CA 1.524 58.127 56.400 0.337 0.000 0.840 429 E CB -0.254 29.579 29.700 0.223 0.000 0.772 429 E HN 0.846 nan 8.360 nan 0.000 0.491 430 T N -3.379 111.376 114.554 0.335 0.000 3.040 430 T HA 0.398 4.748 4.350 0.001 0.000 0.252 430 T C 0.978 175.724 174.700 0.077 0.000 1.064 430 T CA 0.276 62.527 62.100 0.252 0.000 1.110 430 T CB 0.651 69.584 68.868 0.109 0.000 0.921 430 T HN 0.181 nan 8.240 nan 0.000 0.480 431 G N 0.187 108.877 108.800 -0.182 0.000 2.348 431 G HA2 0.468 4.429 3.960 0.001 0.000 0.296 431 G HA3 0.468 4.429 3.960 0.001 0.000 0.296 431 G C -2.085 172.426 174.900 -0.648 0.000 1.258 431 G CA -0.338 44.311 45.100 -0.750 0.000 0.868 431 G HN 0.294 nan 8.290 nan 0.000 0.488 432 V N 0.439 119.982 119.914 -0.619 0.000 2.680 432 V HA 0.700 4.820 4.120 0.001 0.000 0.309 432 V C -0.660 175.251 176.094 -0.305 0.000 1.052 432 V CA -0.702 61.350 62.300 -0.412 0.000 0.908 432 V CB 1.711 33.271 31.823 -0.439 0.000 1.001 432 V HN 0.719 nan 8.190 nan 0.000 0.431 433 E N 2.429 122.484 120.200 -0.243 0.000 2.246 433 E HA 0.755 5.106 4.350 0.001 0.000 0.266 433 E C -0.882 175.559 176.600 -0.265 0.000 0.880 433 E CA -0.658 55.596 56.400 -0.243 0.000 0.762 433 E CB 2.412 32.075 29.700 -0.063 0.000 1.180 433 E HN 0.837 nan 8.360 nan 0.000 0.416 434 A N 2.000 124.576 122.820 -0.407 0.000 2.381 434 A HA 0.792 5.112 4.320 0.001 0.000 0.299 434 A C -1.112 176.367 177.584 -0.174 0.000 1.049 434 A CA -0.510 51.208 52.037 -0.533 0.000 0.715 434 A CB 1.524 19.715 19.000 -1.348 0.000 1.222 434 A HN 0.598 nan 8.150 nan 0.000 0.428 435 A N 1.224 124.134 122.820 0.150 0.000 2.374 435 A HA 0.994 5.315 4.320 0.001 0.000 0.317 435 A C -0.160 177.712 177.584 0.479 0.000 1.094 435 A CA -0.028 52.253 52.037 0.408 0.000 0.765 435 A CB 1.505 20.705 19.000 0.333 0.000 1.268 435 A HN 2.511 nan 8.150 nan 0.000 0.438 436 A N 0.145 123.221 122.820 0.426 0.000 2.549 436 A HA 0.936 5.256 4.320 0.001 0.000 0.297 436 A C -0.524 177.178 177.584 0.198 0.000 1.061 436 A CA 0.059 52.262 52.037 0.275 0.000 0.690 436 A CB 1.411 20.583 19.000 0.286 0.000 1.287 436 A HN 2.536 nan 8.150 nan 0.000 0.402 437 A N 0.509 123.401 122.820 0.119 0.000 2.515 437 A HA 0.905 5.226 4.320 0.001 0.000 0.298 437 A C -0.533 177.182 177.584 0.220 0.000 1.059 437 A CA -0.364 51.779 52.037 0.176 0.000 0.698 437 A CB 1.560 20.658 19.000 0.162 0.000 1.289 437 A HN 1.483 nan 8.150 nan 0.000 0.404 438 S N -0.319 115.528 115.700 0.245 0.000 2.541 438 S HA 0.864 5.334 4.470 0.001 0.000 0.280 438 S C -0.506 174.181 174.600 0.146 0.000 1.112 438 S CA -0.075 58.266 58.200 0.235 0.000 0.925 438 S CB 1.819 65.170 63.200 0.252 0.000 1.067 438 S HN 1.884 nan 8.310 nan 0.000 0.479 439 A N 2.175 125.061 122.820 0.110 0.000 2.475 439 A HA 0.781 5.101 4.320 0.001 0.000 0.301 439 A C -1.112 176.499 177.584 0.045 0.000 1.059 439 A CA -0.689 51.389 52.037 0.067 0.000 0.710 439 A CB 0.837 19.873 19.000 0.060 0.000 1.288 439 A HN 0.707 nan 8.150 nan 0.000 0.408 440 I N 3.063 123.647 120.570 0.023 0.000 2.301 440 I HA 0.459 4.629 4.170 0.001 0.000 0.292 440 I C 0.538 176.656 176.117 0.001 0.000 1.046 440 I CA 0.710 62.019 61.300 0.013 0.000 1.282 440 I CB -0.446 37.558 38.000 0.007 0.000 1.409 440 I HN 0.884 nan 8.210 nan 0.000 0.484 441 S N 4.788 120.487 115.700 -0.002 0.000 2.663 441 S HA 0.402 4.872 4.470 0.001 0.000 0.264 441 S C -0.874 173.719 174.600 -0.012 0.000 1.112 441 S CA -0.982 57.212 58.200 -0.010 0.000 0.823 441 S CB 0.924 64.121 63.200 -0.005 0.000 1.111 441 S HN 0.088 nan 8.310 nan 0.000 0.476 442 V N 1.280 121.184 119.914 -0.016 0.000 2.843 442 V HA 0.611 4.731 4.120 0.001 0.000 0.305 442 V C 0.857 176.949 176.094 -0.003 0.000 1.065 442 V CA 0.679 62.971 62.300 -0.015 0.000 1.116 442 V CB 0.574 32.386 31.823 -0.018 0.000 0.968 442 V HN 1.339 nan 8.190 nan 0.000 0.487 443 A N 5.710 128.529 122.820 -0.002 0.000 2.413 443 A HA 0.953 5.273 4.320 0.001 0.000 0.307 443 A C -0.561 177.027 177.584 0.008 0.000 1.087 443 A CA -0.900 51.142 52.037 0.008 0.000 0.750 443 A CB 1.734 20.738 19.000 0.007 0.000 1.296 443 A HN 0.672 nan 8.150 nan 0.000 0.423 444 R N 0.015 120.526 120.500 0.018 0.000 2.837 444 R HA 0.713 5.053 4.340 0.001 0.000 0.271 444 R C -1.369 174.951 176.300 0.032 0.000 0.993 444 R CA -0.487 55.625 56.100 0.021 0.000 0.931 444 R CB 2.053 32.367 30.300 0.022 0.000 1.206 444 R HN 0.706 nan 8.270 nan 0.000 0.474 445 T N 2.252 116.828 114.554 0.036 0.000 2.786 445 T HA 0.564 4.914 4.350 0.001 0.000 0.283 445 T C -1.105 173.635 174.700 0.068 0.000 0.992 445 T CA -0.481 61.651 62.100 0.053 0.000 0.954 445 T CB 0.786 69.679 68.868 0.041 0.000 0.934 445 T HN 0.283 nan 8.240 nan 0.000 0.440 446 L N 4.699 125.976 121.223 0.090 0.000 2.562 446 L HA 0.585 4.926 4.340 0.001 0.000 0.266 446 L C -2.132 174.821 176.870 0.139 0.000 0.949 446 L CA -0.646 54.255 54.840 0.102 0.000 0.879 446 L CB 1.500 43.607 42.059 0.079 0.000 1.278 446 L HN 0.429 nan 8.230 nan 0.000 0.404 447 L N 6.130 127.455 121.223 0.170 0.000 2.276 447 L HA 0.587 4.928 4.340 0.001 0.000 0.286 447 L C -0.480 176.565 176.870 0.292 0.000 1.024 447 L CA -0.251 54.725 54.840 0.227 0.000 0.826 447 L CB 1.630 43.815 42.059 0.210 0.000 1.211 447 L HN 0.342 nan 8.230 nan 0.000 0.422 448 V N 5.253 125.309 119.914 0.236 0.000 2.394 448 V HA 0.631 4.751 4.120 0.001 0.000 0.282 448 V C -0.273 175.968 176.094 0.245 0.000 1.031 448 V CA -0.562 61.836 62.300 0.163 0.000 0.881 448 V CB 0.913 32.782 31.823 0.075 0.000 0.982 448 V HN 0.583 nan 8.190 nan 0.000 0.451 449 F N 1.592 121.567 119.950 0.042 0.000 2.668 449 F HA 0.729 5.256 4.527 0.000 0.000 0.309 449 F C -0.722 175.090 175.800 0.021 0.000 1.117 449 F CA -1.113 56.908 58.000 0.036 0.000 0.951 449 F CB 1.579 40.605 39.000 0.045 0.000 1.323 449 F HN 0.409 nan 8.300 nan 0.000 0.451 450 E N 2.289 122.531 120.200 0.070 0.000 2.133 450 E HA 0.416 4.766 4.350 0.001 0.000 0.274 450 E C -0.815 175.862 176.600 0.129 0.000 0.930 450 E CA -1.183 55.202 56.400 -0.024 0.000 0.770 450 E CB 2.815 32.490 29.700 -0.042 0.000 1.104 450 E HN 0.654 nan 8.360 nan 0.000 0.403 451 V N 3.298 123.289 119.914 0.128 0.000 2.872 451 V HA -0.022 4.098 4.120 0.001 0.000 0.307 451 V C -0.152 175.840 176.094 -0.171 0.000 1.072 451 V CA 0.851 63.282 62.300 0.218 0.000 1.148 451 V CB 1.041 33.129 31.823 0.442 0.000 0.954 451 V HN 0.705 nan 8.190 nan 0.000 0.490 452 Q N 1.994 121.712 119.800 -0.138 0.000 2.814 452 Q HA 0.301 4.641 4.340 0.001 0.000 0.322 452 Q C -1.241 174.834 176.000 0.126 0.000 0.861 452 Q CA -0.653 54.954 55.803 -0.326 0.000 0.773 452 Q CB 1.944 30.634 28.738 -0.080 0.000 1.423 452 Q HN 0.949 nan 8.270 nan 0.000 0.495 453 Q N 1.504 121.489 119.800 0.309 0.000 2.373 453 Q HA 0.432 4.772 4.340 0.001 0.000 0.255 453 Q C -2.178 174.029 176.000 0.345 0.000 0.980 453 Q CA -1.501 54.528 55.803 0.377 0.000 0.882 453 Q CB 0.290 29.246 28.738 0.362 0.000 1.249 453 Q HN 0.075 nan 8.270 nan 0.000 0.438 454 P HA 0.078 nan 4.420 nan 0.000 0.271 454 P C -1.182 176.360 177.300 0.403 0.000 1.220 454 P CA 0.265 63.462 63.100 0.162 0.000 0.768 454 P CB -0.083 31.630 31.700 0.021 0.000 0.848 455 F N 1.431 121.468 119.950 0.145 0.000 2.741 455 F HA 0.582 5.109 4.527 0.000 0.000 0.311 455 F C -1.748 174.173 175.800 0.202 0.000 1.149 455 F CA -1.752 56.342 58.000 0.156 0.000 0.930 455 F CB 0.607 39.691 39.000 0.140 0.000 1.312 455 F HN 0.169 nan 8.300 nan 0.000 0.450 456 L N 2.470 123.879 121.223 0.311 0.000 2.334 456 L HA 0.919 5.260 4.340 0.001 0.000 0.275 456 L C -1.067 176.010 176.870 0.345 0.000 1.036 456 L CA -1.233 53.709 54.840 0.171 0.000 0.807 456 L CB 1.234 43.330 42.059 0.062 0.000 1.231 456 L HN 0.773 nan 8.230 nan 0.000 0.438 457 F N 1.234 121.310 119.950 0.210 0.000 2.626 457 F HA 0.898 5.425 4.527 0.000 0.000 0.311 457 F C -1.027 174.877 175.800 0.173 0.000 1.088 457 F CA -1.233 56.902 58.000 0.224 0.000 0.949 457 F CB 1.666 40.847 39.000 0.302 0.000 1.322 457 F HN 0.542 nan 8.300 nan 0.000 0.461 458 M N 2.901 122.734 119.600 0.388 0.000 2.484 458 M HA 0.456 4.936 4.480 0.001 0.000 0.289 458 M C -1.587 174.952 176.300 0.397 0.000 1.206 458 M CA -0.655 54.843 55.300 0.330 0.000 0.892 458 M CB 2.941 35.725 32.600 0.306 0.000 1.712 458 M HN 0.614 nan 8.290 nan 0.000 0.462 459 L N 2.667 124.115 121.223 0.375 0.000 2.261 459 L HA 0.369 4.709 4.340 0.001 0.000 0.289 459 L C -0.972 176.077 176.870 0.298 0.000 1.059 459 L CA -0.206 54.814 54.840 0.301 0.000 0.816 459 L CB 0.492 42.692 42.059 0.235 0.000 1.191 459 L HN 0.638 nan 8.230 nan 0.000 0.431 460 W N 5.131 126.462 121.300 0.052 0.000 2.520 460 W HA 0.219 4.879 4.660 0.001 0.000 0.323 460 W C -0.780 175.666 176.519 -0.121 0.000 1.062 460 W CA -0.562 56.765 57.345 -0.029 0.000 1.215 460 W CB 1.910 31.393 29.460 0.037 0.000 1.340 460 W HN 0.436 nan 8.180 nan 0.000 0.516 461 D N 4.940 124.826 120.400 -0.856 0.000 2.380 461 D HA -0.015 4.625 4.640 0.001 0.000 0.230 461 D C 1.203 176.950 176.300 -0.921 0.000 1.154 461 D CA 0.116 53.629 54.000 -0.812 0.000 0.859 461 D CB 1.180 41.292 40.800 -1.146 0.000 1.045 461 D HN 0.551 nan 8.370 nan 0.000 0.495 462 Q N 2.520 122.082 119.800 -0.396 0.000 2.389 462 Q HA -0.096 4.244 4.340 0.001 0.000 0.204 462 Q C 1.387 177.303 176.000 -0.140 0.000 0.944 462 Q CA 0.397 56.121 55.803 -0.133 0.000 0.908 462 Q CB 0.143 29.033 28.738 0.254 0.000 1.002 462 Q HN 0.550 nan 8.270 nan 0.000 0.493 463 Q N 0.567 120.227 119.800 -0.232 0.000 1.990 463 Q HA -0.178 4.163 4.340 0.001 0.000 0.200 463 Q C 0.912 176.615 176.000 -0.495 0.000 0.980 463 Q CA 1.862 57.457 55.803 -0.347 0.000 0.832 463 Q CB 0.086 28.554 28.738 -0.451 0.000 0.897 463 Q HN 0.674 nan 8.270 nan 0.000 0.427 464 H N -0.703 118.131 119.070 -0.393 0.000 2.592 464 H HA 0.255 4.811 4.556 0.001 0.000 0.265 464 H C -0.366 174.791 175.328 -0.285 0.000 0.955 464 H CA 0.234 55.996 56.048 -0.477 0.000 1.175 464 H CB 0.597 29.742 29.762 -1.028 0.000 1.433 464 H HN 0.122 nan 8.280 nan 0.000 0.537 465 K N 0.015 120.178 120.400 -0.395 0.000 3.353 465 K HA -0.161 4.160 4.320 0.001 0.000 0.272 465 K C -1.288 174.978 176.600 -0.556 0.000 1.071 465 K CA 0.559 56.536 56.287 -0.516 0.000 0.789 465 K CB -1.915 30.645 32.500 0.100 0.000 1.325 465 K HN 0.436 nan 8.250 nan 0.000 0.464 466 F N -2.879 116.434 119.950 -1.061 0.000 2.662 466 F HA 0.738 5.266 4.527 0.001 0.000 0.312 466 F C -3.083 172.511 175.800 -0.343 0.000 1.113 466 F CA -3.054 54.678 58.000 -0.446 0.000 0.951 466 F CB 1.311 40.286 39.000 -0.041 0.000 1.344 466 F HN -0.280 nan 8.300 nan 0.000 0.462 467 P HA 0.257 nan 4.420 nan 0.000 0.286 467 P C 0.463 177.875 177.300 0.186 0.000 1.321 467 P CA -0.283 62.988 63.100 0.285 0.000 0.790 467 P CB 1.534 33.464 31.700 0.384 0.000 0.897 468 V N 3.025 122.926 119.914 -0.022 0.000 2.407 468 V HA -0.027 4.094 4.120 0.001 0.000 0.245 468 V C 0.591 176.680 176.094 -0.009 0.000 1.041 468 V CA 1.580 63.912 62.300 0.053 0.000 1.040 468 V CB -0.750 31.103 31.823 0.049 0.000 0.671 468 V HN 0.344 nan 8.190 nan 0.000 0.455 469 F N -1.481 118.533 119.950 0.106 0.000 2.576 469 F HA 0.751 5.278 4.527 0.001 0.000 0.313 469 F C -0.150 175.614 175.800 -0.061 0.000 1.078 469 F CA -0.680 57.348 58.000 0.047 0.000 0.921 469 F CB 1.907 40.975 39.000 0.112 0.000 1.232 469 F HN -0.148 nan 8.300 nan 0.000 0.459 470 M N 0.829 120.309 119.600 -0.200 0.000 2.593 470 M HA 0.805 5.285 4.480 0.001 0.000 0.290 470 M C -0.497 175.473 176.300 -0.550 0.000 1.244 470 M CA -0.639 54.441 55.300 -0.367 0.000 0.857 470 M CB 3.001 35.346 32.600 -0.425 0.000 1.738 470 M HN 0.760 nan 8.290 nan 0.000 0.461 471 G N 0.905 109.251 108.800 -0.757 0.000 2.576 471 G HA2 0.694 4.655 3.960 0.001 0.000 0.290 471 G HA3 0.694 4.655 3.960 0.001 0.000 0.290 471 G C -2.356 172.012 174.900 -0.887 0.000 1.442 471 G CA -0.710 43.756 45.100 -1.056 0.000 0.792 471 G HN 0.705 nan 8.290 nan 0.000 0.491 472 R N -0.040 120.186 120.500 -0.456 0.000 2.584 472 R HA 0.632 4.973 4.340 0.001 0.000 0.276 472 R C -1.836 174.379 176.300 -0.142 0.000 1.046 472 R CA -0.537 55.437 56.100 -0.211 0.000 0.906 472 R CB 2.349 32.531 30.300 -0.197 0.000 1.215 472 R HN 0.445 nan 8.270 nan 0.000 0.449 473 V N 4.649 124.432 119.914 -0.218 0.000 2.448 473 V HA 0.446 4.567 4.120 0.001 0.000 0.295 473 V C -1.229 174.839 176.094 -0.044 0.000 1.025 473 V CA -0.717 61.452 62.300 -0.218 0.000 0.859 473 V CB 1.453 32.949 31.823 -0.545 0.000 0.988 473 V HN 0.682 nan 8.190 nan 0.000 0.431 474 Y N 2.451 122.674 120.300 -0.128 0.000 2.425 474 Y HA 0.543 5.093 4.550 0.000 0.000 0.344 474 Y C -0.399 175.518 175.900 0.028 0.000 0.969 474 Y CA -0.920 57.147 58.100 -0.055 0.000 1.052 474 Y CB 1.938 40.334 38.460 -0.107 0.000 1.215 474 Y HN 0.647 nan 8.280 nan 0.000 0.451 475 D N 7.569 127.685 120.400 -0.474 0.000 2.428 475 D HA 0.307 4.947 4.640 0.001 0.000 0.221 475 D C -2.402 173.708 176.300 -0.317 0.000 1.123 475 D CA -1.738 52.138 54.000 -0.208 0.000 0.869 475 D CB 0.973 41.734 40.800 -0.066 0.000 1.032 475 D HN 0.311 nan 8.370 nan 0.000 0.506 476 P HA 0.000 nan 4.420 nan 0.000 0.216 476 P CA 0.000 63.141 63.100 0.068 0.000 0.800 476 P CB 0.000 31.769 31.700 0.115 0.000 0.726