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 2a9b_1_A DATA FIRST_RESID 95 DATA SEQUENCE DPFAGDPPRH PGLRVNSQKP FNAEPPAELL AERFLTPNEL FFTQNHLPVP DATA SEQUENCE AVEPSSYRLR VDGPGGGTLS LSLAELRSRF PKHEVTATLQ CAGNRRSEMS DATA SEQUENCE RVRPVKGLPW DIGAISTARW GGARLRDVLL HAGFPEELQG EWHVCFEGLD DATA SEQUENCE ADPGGAPYGA SIPYGRALSP AADVLLAYEM NGTELPRDHG FPVRVVVPGV DATA SEQUENCE VGARSVKWLR RVAVSPDESP SHWQQNDYKG FSPCVDWDTV DYRTAPAIQE DATA SEQUENCE LPVQSAVTQP RPGAAVPPGE LTVKGYAWSG GGREVVRVDV SLDGGRTWKV DATA SEQUENCE ARLMGDKAPP GRAWAWALWE LTVPVEAGTE LEIVCKAVDS SYNVQPDSVA DATA SEQUENCE PIWNLRGVLS TAWHRVRVSV QD 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 95 D HA 0.000 nan 4.640 nan 0.000 0.175 95 D C 0.000 176.330 176.300 0.050 0.000 2.045 95 D CA 0.000 54.044 54.000 0.073 0.000 0.868 95 D CB 0.000 40.855 40.800 0.091 0.000 0.688 96 P HA 0.030 nan 4.420 nan 0.000 0.228 96 P C 0.810 177.919 177.300 -0.319 0.000 1.151 96 P CA 0.579 63.580 63.100 -0.165 0.000 0.770 96 P CB -0.011 31.541 31.700 -0.246 0.000 0.786 97 F N -0.724 119.214 119.950 -0.019 0.000 2.695 97 F HA 0.380 4.907 4.527 0.001 0.000 0.303 97 F C 2.303 178.082 175.800 -0.035 0.000 1.091 97 F CA -0.032 57.952 58.000 -0.026 0.000 1.300 97 F CB -0.540 38.456 39.000 -0.006 0.000 1.071 97 F HN -0.128 nan 8.300 nan 0.000 0.578 98 A N 0.383 123.259 122.820 0.094 0.000 1.978 98 A HA -0.124 4.197 4.320 0.001 0.000 0.220 98 A C 2.468 180.056 177.584 0.006 0.000 1.170 98 A CA 1.837 53.900 52.037 0.043 0.000 0.636 98 A CB -1.291 17.721 19.000 0.020 0.000 0.810 98 A HN 0.386 nan 8.150 nan 0.000 0.448 99 G N -0.755 108.031 108.800 -0.024 0.000 2.920 99 G HA2 0.172 4.132 3.960 0.001 0.000 0.208 99 G HA3 0.172 4.132 3.960 0.001 0.000 0.208 99 G C -0.175 174.694 174.900 -0.052 0.000 1.159 99 G CA 0.129 45.200 45.100 -0.048 0.000 0.784 99 G HN 0.389 nan 8.290 nan 0.000 0.535 100 D N 1.322 121.707 120.400 -0.024 0.000 2.382 100 D HA 0.247 4.887 4.640 0.001 0.000 0.240 100 D C -1.620 174.638 176.300 -0.070 0.000 1.146 100 D CA -1.062 52.916 54.000 -0.035 0.000 0.897 100 D CB 1.082 41.894 40.800 0.021 0.000 1.197 100 D HN 0.097 nan 8.370 nan 0.000 0.432 101 P HA 0.221 nan 4.420 nan 0.000 0.272 101 P C -2.604 174.610 177.300 -0.144 0.000 1.230 101 P CA -1.101 61.940 63.100 -0.099 0.000 0.788 101 P CB -0.123 31.528 31.700 -0.081 0.000 0.949 102 P HA 0.402 nan 4.420 nan 0.000 0.281 102 P C -0.521 176.702 177.300 -0.128 0.000 1.249 102 P CA -0.310 62.716 63.100 -0.123 0.000 0.810 102 P CB 0.959 32.613 31.700 -0.076 0.000 1.008 103 R N -0.524 119.895 120.500 -0.135 0.000 2.919 103 R HA 0.393 4.734 4.340 0.001 0.000 0.260 103 R C 0.282 176.619 176.300 0.061 0.000 1.067 103 R CA -0.855 55.217 56.100 -0.047 0.000 1.003 103 R CB 0.048 30.284 30.300 -0.106 0.000 1.192 103 R HN 0.544 nan 8.270 nan 0.000 0.488 104 H N 3.431 122.531 119.070 0.049 0.000 2.928 104 H HA 0.020 4.576 4.556 0.001 0.000 0.338 104 H C -1.359 174.016 175.328 0.078 0.000 1.047 104 H CA -0.918 55.168 56.048 0.063 0.000 1.435 104 H CB 1.191 31.005 29.762 0.086 0.000 1.428 104 H HN 0.350 nan 8.280 nan 0.000 0.590 105 P HA -0.056 nan 4.420 nan 0.000 0.222 105 P C 1.076 178.456 177.300 0.133 0.000 1.147 105 P CA 1.130 64.229 63.100 -0.001 0.000 0.790 105 P CB 0.063 31.699 31.700 -0.106 0.000 0.780 106 G N -0.535 108.462 108.800 0.329 0.000 3.141 106 G HA2 0.168 4.129 3.960 0.001 0.000 0.218 106 G HA3 0.168 4.129 3.960 0.001 0.000 0.218 106 G C 0.339 175.374 174.900 0.225 0.000 1.170 106 G CA -0.133 45.132 45.100 0.274 0.000 0.769 106 G HN 0.103 nan 8.290 nan 0.000 0.546 107 L N 0.381 121.755 121.223 0.251 0.000 2.439 107 L HA 0.381 4.721 4.340 0.001 0.000 0.269 107 L C 0.621 177.576 176.870 0.141 0.000 1.179 107 L CA -0.498 54.461 54.840 0.199 0.000 0.828 107 L CB 0.921 43.143 42.059 0.270 0.000 1.106 107 L HN -0.034 nan 8.230 nan 0.000 0.467 108 R N 1.574 122.140 120.500 0.109 0.000 2.419 108 R HA 0.311 4.652 4.340 0.001 0.000 0.305 108 R C -0.990 175.317 176.300 0.010 0.000 1.242 108 R CA -0.144 55.994 56.100 0.064 0.000 1.105 108 R CB 0.003 30.344 30.300 0.069 0.000 1.116 108 R HN 0.349 nan 8.270 nan 0.000 0.523 109 V N 3.877 123.780 119.914 -0.018 0.000 2.488 109 V HA 0.069 4.190 4.120 0.001 0.000 0.277 109 V C 0.896 176.884 176.094 -0.176 0.000 1.046 109 V CA -0.257 61.962 62.300 -0.135 0.000 0.986 109 V CB 1.331 33.126 31.823 -0.047 0.000 0.989 109 V HN 0.832 nan 8.190 nan 0.000 0.475 110 N N 1.774 120.292 118.700 -0.302 0.000 2.220 110 N HA 0.110 4.851 4.740 0.001 0.000 0.195 110 N C 0.139 175.478 175.510 -0.285 0.000 1.123 110 N CA 0.074 52.941 53.050 -0.305 0.000 0.874 110 N CB 0.883 39.105 38.487 -0.441 0.000 0.995 110 N HN 0.513 nan 8.380 nan 0.000 0.498 111 S N -0.732 114.787 115.700 -0.302 0.000 2.566 111 S HA 0.245 4.716 4.470 0.001 0.000 0.273 111 S C -0.392 174.098 174.600 -0.183 0.000 1.157 111 S CA -0.545 57.522 58.200 -0.222 0.000 0.938 111 S CB 1.630 64.698 63.200 -0.220 0.000 1.087 111 S HN 0.091 nan 8.310 nan 0.000 0.474 112 Q N 3.370 123.115 119.800 -0.091 0.000 2.259 112 Q HA 0.358 4.699 4.340 0.001 0.000 0.201 112 Q C -0.579 175.385 176.000 -0.059 0.000 0.938 112 Q CA 1.359 57.185 55.803 0.039 0.000 0.872 112 Q CB 0.296 29.043 28.738 0.015 0.000 0.971 112 Q HN 0.652 nan 8.270 nan 0.000 0.494 113 K N 1.571 121.796 120.400 -0.290 0.000 2.668 113 K HA 0.371 4.692 4.320 0.001 0.000 0.246 113 K C -2.619 173.664 176.600 -0.529 0.000 0.976 113 K CA -1.766 54.054 56.287 -0.778 0.000 0.902 113 K CB 2.107 33.885 32.500 -1.204 0.000 1.172 113 K HN 0.084 nan 8.250 nan 0.000 0.452 114 P HA 0.087 nan 4.420 nan 0.000 0.274 114 P C -0.692 176.633 177.300 0.041 0.000 1.237 114 P CA -0.500 62.603 63.100 0.005 0.000 0.793 114 P CB 0.559 32.429 31.700 0.283 0.000 0.977 115 F N 2.305 122.261 119.950 0.011 0.000 2.472 115 F HA 0.218 4.745 4.527 0.001 0.000 0.364 115 F C 0.229 176.060 175.800 0.050 0.000 1.090 115 F CA 0.254 58.260 58.000 0.009 0.000 1.188 115 F CB 0.049 39.076 39.000 0.045 0.000 1.105 115 F HN 0.186 nan 8.300 nan 0.000 0.536 116 N N 5.244 123.608 118.700 -0.561 0.000 2.454 116 N HA 0.681 5.421 4.740 0.001 0.000 0.291 116 N C -1.591 173.599 175.510 -0.532 0.000 1.079 116 N CA -0.607 52.242 53.050 -0.336 0.000 0.893 116 N CB 1.918 40.285 38.487 -0.199 0.000 1.512 116 N HN 0.644 nan 8.380 nan 0.000 0.497 117 A N 1.561 124.281 122.820 -0.167 0.000 2.606 117 A HA 0.643 4.964 4.320 0.001 0.000 0.293 117 A C -1.396 176.425 177.584 0.395 0.000 1.082 117 A CA -0.762 51.250 52.037 -0.042 0.000 0.685 117 A CB 1.924 20.773 19.000 -0.251 0.000 1.284 117 A HN 0.683 nan 8.150 nan 0.000 0.408 118 E N 0.977 121.370 120.200 0.321 0.000 2.343 118 E HA 0.682 5.032 4.350 0.001 0.000 0.270 118 E C -2.967 173.739 176.600 0.177 0.000 0.895 118 E CA -2.238 54.343 56.400 0.302 0.000 0.767 118 E CB 2.518 32.398 29.700 0.301 0.000 1.248 118 E HN 0.353 nan 8.360 nan 0.000 0.440 119 P HA 0.144 nan 4.420 nan 0.000 0.269 119 P C -2.465 174.877 177.300 0.069 0.000 1.215 119 P CA -1.240 61.905 63.100 0.075 0.000 0.780 119 P CB -0.440 31.278 31.700 0.030 0.000 0.898 120 P HA 0.046 nan 4.420 nan 0.000 0.271 120 P C 0.764 178.092 177.300 0.048 0.000 1.216 120 P CA 0.151 63.287 63.100 0.059 0.000 0.776 120 P CB 0.170 31.904 31.700 0.056 0.000 0.881 121 A N 3.810 126.663 122.820 0.054 0.000 2.076 121 A HA -0.199 4.121 4.320 0.001 0.000 0.220 121 A C 1.576 179.176 177.584 0.026 0.000 1.160 121 A CA 1.338 53.405 52.037 0.051 0.000 0.653 121 A CB -0.845 18.196 19.000 0.067 0.000 0.801 121 A HN 0.644 nan 8.150 nan 0.000 0.455 122 E N -0.050 120.163 120.200 0.022 0.000 2.511 122 E HA -0.007 4.343 4.350 0.001 0.000 0.196 122 E C 1.342 177.939 176.600 -0.006 0.000 1.066 122 E CA 0.584 56.986 56.400 0.004 0.000 0.871 122 E CB -0.267 29.439 29.700 0.011 0.000 0.863 122 E HN 0.695 nan 8.360 nan 0.000 0.520 123 L N -0.212 121.011 121.223 0.000 0.000 2.653 123 L HA 0.176 4.516 4.340 0.001 0.000 0.230 123 L C 2.385 179.250 176.870 -0.009 0.000 1.055 123 L CA -0.140 54.696 54.840 -0.007 0.000 0.880 123 L CB -0.127 41.930 42.059 -0.004 0.000 1.195 123 L HN 0.014 nan 8.230 nan 0.000 0.492 124 L N 1.028 122.253 121.223 0.004 0.000 2.058 124 L HA -0.304 4.037 4.340 0.001 0.000 0.226 124 L C 1.840 178.704 176.870 -0.011 0.000 1.089 124 L CA 2.187 57.040 54.840 0.023 0.000 0.799 124 L CB -0.142 41.943 42.059 0.044 0.000 0.900 124 L HN 0.365 nan 8.230 nan 0.000 0.442 125 A N -1.836 120.918 122.820 -0.110 0.000 2.610 125 A HA 0.045 4.366 4.320 0.001 0.000 0.286 125 A C 1.700 179.182 177.584 -0.171 0.000 1.306 125 A CA -0.181 51.697 52.037 -0.264 0.000 0.942 125 A CB -0.110 18.669 19.000 -0.369 0.000 1.112 125 A HN 0.503 nan 8.150 nan 0.000 0.527 126 E N 0.440 120.593 120.200 -0.079 0.000 2.216 126 E HA -0.014 4.336 4.350 0.001 0.000 0.192 126 E C 0.367 176.960 176.600 -0.012 0.000 0.988 126 E CA 0.583 56.955 56.400 -0.046 0.000 0.834 126 E CB 0.180 29.866 29.700 -0.023 0.000 0.772 126 E HN 0.594 nan 8.360 nan 0.000 0.479 127 R N -0.989 119.524 120.500 0.023 0.000 2.795 127 R HA 0.198 4.539 4.340 0.001 0.000 0.275 127 R C 0.131 176.541 176.300 0.182 0.000 0.981 127 R CA -0.536 55.619 56.100 0.091 0.000 0.917 127 R CB 0.735 31.084 30.300 0.082 0.000 1.202 127 R HN -0.009 nan 8.270 nan 0.000 0.469 128 F N 1.660 121.670 119.950 0.101 0.000 2.146 128 F HA 0.075 4.603 4.527 0.001 0.000 0.298 128 F C 0.253 176.246 175.800 0.322 0.000 1.096 128 F CA 1.214 59.358 58.000 0.239 0.000 1.275 128 F CB 0.395 39.490 39.000 0.159 0.000 1.008 128 F HN 0.201 nan 8.300 nan 0.000 0.480 129 L N 1.372 122.707 121.223 0.186 0.000 2.282 129 L HA 0.281 4.621 4.340 0.001 0.000 0.288 129 L C 0.009 176.875 176.870 -0.006 0.000 1.033 129 L CA -0.690 54.151 54.840 0.000 0.000 0.807 129 L CB 1.315 43.388 42.059 0.022 0.000 1.209 129 L HN -0.187 nan 8.230 nan 0.000 0.423 130 T N 4.105 118.609 114.554 -0.082 0.000 2.779 130 T HA 0.198 4.548 4.350 0.001 0.000 0.296 130 T C -2.298 172.385 174.700 -0.029 0.000 0.938 130 T CA -1.060 61.007 62.100 -0.056 0.000 1.119 130 T CB 0.609 69.359 68.868 -0.196 0.000 0.891 130 T HN 0.304 nan 8.240 nan 0.000 0.526 131 P HA 0.076 nan 4.420 nan 0.000 0.265 131 P C 0.731 178.017 177.300 -0.023 0.000 1.187 131 P CA -0.188 62.893 63.100 -0.033 0.000 0.766 131 P CB 0.466 32.150 31.700 -0.027 0.000 0.820 132 N N 2.518 121.175 118.700 -0.071 0.000 2.184 132 N HA -0.204 4.536 4.740 0.001 0.000 0.190 132 N C 1.365 176.894 175.510 0.033 0.000 1.011 132 N CA 1.298 54.286 53.050 -0.104 0.000 0.867 132 N CB -0.409 38.001 38.487 -0.128 0.000 0.993 132 N HN 0.600 nan 8.380 nan 0.000 0.433 133 E N 0.383 120.613 120.200 0.049 0.000 2.427 133 E HA -0.062 4.288 4.350 0.001 0.000 0.196 133 E C 1.351 177.988 176.600 0.061 0.000 1.028 133 E CA 0.497 56.957 56.400 0.099 0.000 0.864 133 E CB -0.205 29.573 29.700 0.129 0.000 0.813 133 E HN 0.407 nan 8.360 nan 0.000 0.514 134 L N -0.399 120.836 121.223 0.020 0.000 2.701 134 L HA 0.285 4.626 4.340 0.001 0.000 0.238 134 L C 0.614 177.555 176.870 0.117 0.000 1.106 134 L CA -0.557 54.285 54.840 0.003 0.000 0.898 134 L CB 0.070 42.074 42.059 -0.091 0.000 1.188 134 L HN -0.084 nan 8.230 nan 0.000 0.508 135 F N 2.728 122.665 119.950 -0.021 0.000 2.612 135 F HA -0.017 4.510 4.527 0.001 0.000 0.389 135 F C 0.762 176.644 175.800 0.136 0.000 1.055 135 F CA -1.124 56.846 58.000 -0.050 0.000 1.232 135 F CB 0.204 38.994 39.000 -0.349 0.000 1.044 135 F HN -0.026 nan 8.300 nan 0.000 0.560 136 F N 3.891 123.850 119.950 0.014 0.000 2.589 136 F HA 0.367 4.894 4.527 0.001 0.000 0.352 136 F C -0.171 175.842 175.800 0.355 0.000 1.168 136 F CA -0.638 57.432 58.000 0.116 0.000 1.353 136 F CB -0.201 38.717 39.000 -0.136 0.000 1.116 136 F HN 0.362 nan 8.300 nan 0.000 0.608 137 T N 3.838 118.507 114.554 0.192 0.000 2.812 137 T HA 0.329 4.680 4.350 0.001 0.000 0.282 137 T C -1.125 173.653 174.700 0.129 0.000 0.990 137 T CA -0.601 61.513 62.100 0.023 0.000 0.960 137 T CB 1.342 70.323 68.868 0.187 0.000 0.948 137 T HN 0.787 nan 8.240 nan 0.000 0.438 138 Q N 3.530 123.316 119.800 -0.024 0.000 2.339 138 Q HA 0.441 4.781 4.340 0.001 0.000 0.268 138 Q C -1.280 174.723 176.000 0.005 0.000 1.027 138 Q CA -0.708 55.161 55.803 0.110 0.000 0.759 138 Q CB 0.575 29.415 28.738 0.170 0.000 1.244 138 Q HN 0.423 nan 8.270 nan 0.000 0.464 139 N N 2.384 121.119 118.700 0.058 0.000 2.362 139 N HA 0.247 4.988 4.740 0.001 0.000 0.298 139 N C -0.624 174.879 175.510 -0.012 0.000 1.048 139 N CA -0.490 52.625 53.050 0.109 0.000 0.858 139 N CB 1.323 39.963 38.487 0.256 0.000 1.218 139 N HN 0.632 nan 8.380 nan 0.000 0.488 140 H N 0.146 119.232 119.070 0.027 0.000 2.562 140 H HA 0.387 4.944 4.556 0.001 0.000 0.267 140 H C 0.036 175.457 175.328 0.156 0.000 0.959 140 H CA 0.650 56.737 56.048 0.066 0.000 1.204 140 H CB 0.622 30.314 29.762 -0.118 0.000 1.430 140 H HN 0.321 nan 8.280 nan 0.000 0.545 141 L N -1.106 120.250 121.223 0.221 0.000 2.357 141 L HA 0.443 4.784 4.340 0.001 0.000 0.244 141 L C -2.433 174.463 176.870 0.042 0.000 1.115 141 L CA -2.593 52.339 54.840 0.153 0.000 0.919 141 L CB 1.764 43.855 42.059 0.053 0.000 1.532 141 L HN -0.208 nan 8.230 nan 0.000 0.416 142 P HA 0.076 nan 4.420 nan 0.000 0.269 142 P C -0.872 176.188 177.300 -0.400 0.000 1.215 142 P CA -0.243 62.551 63.100 -0.510 0.000 0.780 142 P CB 0.488 31.685 31.700 -0.837 0.000 0.898 143 V N 5.102 124.811 119.914 -0.341 0.000 2.521 143 V HA 0.122 4.243 4.120 0.001 0.000 0.286 143 V C -1.849 173.898 176.094 -0.580 0.000 1.034 143 V CA -1.140 60.816 62.300 -0.572 0.000 1.045 143 V CB 0.003 31.691 31.823 -0.224 0.000 0.974 143 V HN 0.577 nan 8.190 nan 0.000 0.480 144 P HA 0.281 nan 4.420 nan 0.000 0.271 144 P C -0.609 176.543 177.300 -0.247 0.000 1.216 144 P CA -0.090 62.717 63.100 -0.489 0.000 0.771 144 P CB 0.635 32.028 31.700 -0.513 0.000 0.864 145 A N 3.465 126.209 122.820 -0.126 0.000 2.279 145 A HA 0.472 4.793 4.320 0.001 0.000 0.306 145 A C -0.363 177.244 177.584 0.038 0.000 1.300 145 A CA -0.362 51.655 52.037 -0.033 0.000 0.925 145 A CB -0.058 18.917 19.000 -0.042 0.000 1.152 145 A HN 0.370 nan 8.150 nan 0.000 0.544 146 V N 3.105 123.101 119.914 0.136 0.000 2.448 146 V HA 0.315 4.436 4.120 0.001 0.000 0.295 146 V C 0.057 176.289 176.094 0.230 0.000 1.025 146 V CA -0.757 61.654 62.300 0.186 0.000 0.859 146 V CB 1.715 33.656 31.823 0.198 0.000 0.988 146 V HN 0.896 nan 8.190 nan 0.000 0.431 147 E N 6.588 126.890 120.200 0.169 0.000 2.152 147 E HA 0.279 4.630 4.350 0.001 0.000 0.285 147 E C -1.887 174.821 176.600 0.180 0.000 1.043 147 E CA -2.045 54.448 56.400 0.155 0.000 0.839 147 E CB 2.019 31.780 29.700 0.101 0.000 1.069 147 E HN 0.336 nan 8.360 nan 0.000 0.399 148 P HA -0.218 nan 4.420 nan 0.000 0.214 148 P C 1.300 178.686 177.300 0.143 0.000 1.169 148 P CA 2.060 65.258 63.100 0.163 0.000 0.908 148 P CB 0.085 31.905 31.700 0.199 0.000 0.791 149 S N -0.853 114.915 115.700 0.114 0.000 2.428 149 S HA -0.093 4.377 4.470 0.001 0.000 0.230 149 S C 1.928 176.583 174.600 0.092 0.000 1.014 149 S CA 1.296 59.551 58.200 0.091 0.000 0.957 149 S CB -1.493 61.744 63.200 0.062 0.000 0.784 149 S HN 0.272 nan 8.310 nan 0.000 0.499 150 S N -0.220 115.540 115.700 0.101 0.000 2.603 150 S HA 0.124 4.595 4.470 0.001 0.000 0.220 150 S C 0.337 174.991 174.600 0.090 0.000 0.967 150 S CA -0.656 57.590 58.200 0.077 0.000 0.920 150 S CB -0.918 62.319 63.200 0.063 0.000 0.773 150 S HN 0.608 nan 8.310 nan 0.000 0.529 151 Y N 3.514 123.822 120.300 0.014 0.000 2.544 151 Y HA 0.405 4.956 4.550 0.001 0.000 0.330 151 Y C 0.148 176.051 175.900 0.004 0.000 1.136 151 Y CA -0.312 57.790 58.100 0.004 0.000 1.417 151 Y CB 0.379 38.823 38.460 -0.025 0.000 1.229 151 Y HN 0.033 nan 8.280 nan 0.000 0.532 152 R N 6.713 126.725 120.500 -0.813 0.000 2.575 152 R HA 0.326 4.667 4.340 0.001 0.000 0.293 152 R C -1.867 173.961 176.300 -0.788 0.000 0.983 152 R CA -1.240 54.475 56.100 -0.641 0.000 0.887 152 R CB 1.693 31.838 30.300 -0.258 0.000 1.184 152 R HN 0.772 nan 8.270 nan 0.000 0.445 153 L N 3.037 123.941 121.223 -0.532 0.000 2.260 153 L HA 0.427 4.768 4.340 0.001 0.000 0.289 153 L C 0.094 176.915 176.870 -0.082 0.000 1.057 153 L CA -0.128 54.572 54.840 -0.233 0.000 0.811 153 L CB 0.629 42.680 42.059 -0.015 0.000 1.184 153 L HN 0.481 nan 8.230 nan 0.000 0.429 154 R N 4.273 124.748 120.500 -0.043 0.000 2.234 154 R HA 0.577 4.917 4.340 0.001 0.000 0.324 154 R C -1.346 174.987 176.300 0.056 0.000 1.054 154 R CA -0.355 55.748 56.100 0.006 0.000 0.912 154 R CB 1.076 31.380 30.300 0.007 0.000 1.030 154 R HN 0.612 nan 8.270 nan 0.000 0.455 155 V N 4.650 124.609 119.914 0.075 0.000 2.407 155 V HA 0.341 4.461 4.120 0.001 0.000 0.291 155 V C -1.254 174.921 176.094 0.134 0.000 1.018 155 V CA -0.894 61.475 62.300 0.115 0.000 0.842 155 V CB 1.725 33.627 31.823 0.131 0.000 0.996 155 V HN 0.780 nan 8.190 nan 0.000 0.426 156 D N 5.507 126.003 120.400 0.159 0.000 2.348 156 D HA 0.428 5.069 4.640 0.001 0.000 0.253 156 D C 0.645 177.104 176.300 0.266 0.000 1.161 156 D CA 0.663 54.763 54.000 0.167 0.000 0.876 156 D CB 1.780 42.674 40.800 0.156 0.000 1.160 156 D HN 0.850 nan 8.370 nan 0.000 0.459 157 G N 1.925 110.779 108.800 0.090 0.000 2.616 157 G HA2 0.261 4.222 3.960 0.001 0.000 0.268 157 G HA3 0.261 4.222 3.960 0.001 0.000 0.268 157 G C -1.535 173.159 174.900 -0.344 0.000 1.213 157 G CA -0.928 44.075 45.100 -0.162 0.000 0.926 157 G HN 0.252 nan 8.290 nan 0.000 0.523 158 P HA 0.030 nan 4.420 nan 0.000 0.221 158 P C 1.537 178.693 177.300 -0.240 0.000 1.150 158 P CA 1.294 63.991 63.100 -0.672 0.000 0.800 158 P CB 0.244 31.448 31.700 -0.826 0.000 0.787 159 G N -1.694 106.981 108.800 -0.207 0.000 3.088 159 G HA2 0.338 4.299 3.960 0.001 0.000 0.217 159 G HA3 0.338 4.299 3.960 0.001 0.000 0.217 159 G C 1.041 175.910 174.900 -0.051 0.000 1.159 159 G CA 0.353 45.389 45.100 -0.107 0.000 0.760 159 G HN 0.394 nan 8.290 nan 0.000 0.550 160 G N -1.257 107.523 108.800 -0.033 0.000 2.179 160 G HA2 -0.028 3.933 3.960 0.001 0.000 0.220 160 G HA3 -0.028 3.933 3.960 0.001 0.000 0.220 160 G C 0.811 175.709 174.900 -0.003 0.000 0.990 160 G CA 0.170 45.272 45.100 0.003 0.000 0.646 160 G HN 0.974 nan 8.290 nan 0.000 0.517 161 G N -0.987 107.797 108.800 -0.027 0.000 2.588 161 G HA2 0.554 4.515 3.960 0.001 0.000 0.278 161 G HA3 0.554 4.515 3.960 0.001 0.000 0.278 161 G C -0.309 174.590 174.900 -0.001 0.000 1.307 161 G CA 0.659 45.746 45.100 -0.022 0.000 1.016 161 G HN 0.712 nan 8.290 nan 0.000 0.503 162 T N 0.774 115.329 114.554 0.002 0.000 2.985 162 T HA 0.296 4.647 4.350 0.001 0.000 0.315 162 T C -0.206 174.504 174.700 0.017 0.000 1.001 162 T CA -0.319 61.793 62.100 0.020 0.000 1.016 162 T CB 0.879 69.760 68.868 0.022 0.000 0.993 162 T HN 0.362 nan 8.240 nan 0.000 0.454 163 L N 2.830 124.071 121.223 0.030 0.000 2.397 163 L HA 0.565 4.906 4.340 0.001 0.000 0.271 163 L C 0.165 177.063 176.870 0.046 0.000 1.148 163 L CA -0.043 54.820 54.840 0.038 0.000 0.825 163 L CB 1.182 43.276 42.059 0.058 0.000 1.117 163 L HN 0.573 nan 8.230 nan 0.000 0.456 164 S N 5.437 121.162 115.700 0.041 0.000 2.745 164 S HA 0.512 4.982 4.470 0.001 0.000 0.283 164 S C -0.767 173.849 174.600 0.026 0.000 1.170 164 S CA -0.689 57.520 58.200 0.015 0.000 1.119 164 S CB 0.338 63.535 63.200 -0.004 0.000 1.035 164 S HN 0.487 nan 8.310 nan 0.000 0.483 165 L N 4.025 125.266 121.223 0.030 0.000 2.322 165 L HA 0.603 4.944 4.340 0.001 0.000 0.279 165 L C 0.710 177.583 176.870 0.005 0.000 1.036 165 L CA -0.607 54.270 54.840 0.063 0.000 0.807 165 L CB 1.950 44.097 42.059 0.146 0.000 1.226 165 L HN 0.695 nan 8.230 nan 0.000 0.433 166 S N 1.621 117.344 115.700 0.038 0.000 2.713 166 S HA 0.290 4.760 4.470 0.001 0.000 0.283 166 S C 0.705 175.374 174.600 0.115 0.000 1.161 166 S CA -0.741 57.488 58.200 0.049 0.000 0.999 166 S CB 1.396 64.620 63.200 0.041 0.000 1.039 166 S HN 0.563 nan 8.310 nan 0.000 0.548 167 L N 1.471 122.799 121.223 0.175 0.000 2.042 167 L HA 0.069 4.410 4.340 0.001 0.000 0.210 167 L C 2.562 179.414 176.870 -0.030 0.000 1.076 167 L CA 2.493 57.385 54.840 0.087 0.000 0.749 167 L CB -1.640 40.441 42.059 0.036 0.000 0.893 167 L HN 0.943 nan 8.230 nan 0.000 0.432 168 A N -1.063 121.750 122.820 -0.011 0.000 1.930 168 A HA -0.234 4.086 4.320 0.001 0.000 0.217 168 A C 2.337 179.901 177.584 -0.034 0.000 1.175 168 A CA 1.612 53.624 52.037 -0.042 0.000 0.627 168 A CB -0.663 18.326 19.000 -0.018 0.000 0.815 168 A HN 0.606 nan 8.150 nan 0.000 0.443 169 E N -0.710 119.493 120.200 0.005 0.000 2.150 169 E HA -0.161 4.190 4.350 0.001 0.000 0.193 169 E C 1.836 178.478 176.600 0.070 0.000 0.985 169 E CA 0.995 57.402 56.400 0.011 0.000 0.814 169 E CB -0.130 29.591 29.700 0.036 0.000 0.752 169 E HN 0.457 nan 8.360 nan 0.000 0.466 170 L N 1.030 122.332 121.223 0.131 0.000 2.093 170 L HA -0.109 4.231 4.340 0.001 0.000 0.208 170 L C 2.204 179.191 176.870 0.196 0.000 1.085 170 L CA 1.536 56.537 54.840 0.269 0.000 0.755 170 L CB -0.089 42.075 42.059 0.175 0.000 0.904 170 L HN -0.013 nan 8.230 nan 0.000 0.435 171 R N -1.293 119.151 120.500 -0.094 0.000 2.119 171 R HA -0.036 4.304 4.340 0.001 0.000 0.222 171 R C 2.245 178.540 176.300 -0.009 0.000 1.088 171 R CA 1.302 57.288 56.100 -0.191 0.000 0.984 171 R CB -0.188 29.892 30.300 -0.366 0.000 0.884 171 R HN 0.593 nan 8.270 nan 0.000 0.447 172 S N -0.264 115.418 115.700 -0.031 0.000 2.502 172 S HA 0.092 4.563 4.470 0.001 0.000 0.228 172 S C 1.903 176.425 174.600 -0.130 0.000 1.061 172 S CA -0.351 57.817 58.200 -0.054 0.000 0.935 172 S CB 0.118 63.281 63.200 -0.062 0.000 0.809 172 S HN 0.108 nan 8.310 nan 0.000 0.510 173 R N 0.206 120.551 120.500 -0.258 0.000 2.081 173 R HA 0.106 4.447 4.340 0.001 0.000 0.235 173 R C -0.471 175.387 176.300 -0.737 0.000 1.131 173 R CA 1.035 56.755 56.100 -0.634 0.000 0.960 173 R CB -0.195 29.424 30.300 -1.135 0.000 0.856 173 R HN 0.435 nan 8.270 nan 0.000 0.436 174 F N 1.246 121.180 119.950 -0.026 0.000 2.443 174 F HA 0.330 4.857 4.527 0.001 0.000 0.335 174 F C -1.817 174.009 175.800 0.043 0.000 1.104 174 F CA -3.370 54.632 58.000 0.003 0.000 1.013 174 F CB 0.667 39.683 39.000 0.027 0.000 1.136 174 F HN -0.123 nan 8.300 nan 0.000 0.470 175 P HA -0.011 nan 4.420 nan 0.000 0.262 175 P C -0.550 176.857 177.300 0.179 0.000 1.199 175 P CA -0.298 62.885 63.100 0.139 0.000 0.763 175 P CB 0.594 32.348 31.700 0.090 0.000 0.790 176 K N 3.055 123.564 120.400 0.181 0.000 2.447 176 K HA 0.014 4.334 4.320 0.001 0.000 0.281 176 K C -0.270 176.435 176.600 0.174 0.000 1.031 176 K CA -0.012 56.384 56.287 0.181 0.000 1.019 176 K CB 0.042 32.652 32.500 0.183 0.000 0.918 176 K HN 0.541 nan 8.250 nan 0.000 0.476 177 H N 2.512 121.585 119.070 0.006 0.000 2.569 177 H HA 0.339 4.895 4.556 0.001 0.000 0.357 177 H C -1.262 174.054 175.328 -0.020 0.000 1.153 177 H CA -0.599 55.450 56.048 0.001 0.000 1.193 177 H CB 1.272 31.033 29.762 -0.002 0.000 1.602 177 H HN 0.635 nan 8.280 nan 0.000 0.523 178 E N 3.023 122.986 120.200 -0.396 0.000 2.199 178 E HA 0.534 4.884 4.350 0.001 0.000 0.269 178 E C -1.208 175.153 176.600 -0.398 0.000 0.899 178 E CA -1.069 55.150 56.400 -0.300 0.000 0.772 178 E CB 2.662 32.288 29.700 -0.123 0.000 1.155 178 E HN 0.253 nan 8.360 nan 0.000 0.408 179 V N 2.218 122.021 119.914 -0.185 0.000 2.668 179 V HA 0.258 4.379 4.120 0.001 0.000 0.304 179 V C -0.423 175.736 176.094 0.109 0.000 1.071 179 V CA -0.848 61.420 62.300 -0.052 0.000 0.894 179 V CB 2.207 33.977 31.823 -0.089 0.000 1.008 179 V HN 0.687 nan 8.190 nan 0.000 0.425 180 T N 4.424 119.074 114.554 0.160 0.000 2.743 180 T HA 0.747 5.097 4.350 0.001 0.000 0.293 180 T C 0.010 174.871 174.700 0.268 0.000 0.945 180 T CA -0.054 62.146 62.100 0.167 0.000 1.030 180 T CB 1.137 70.122 68.868 0.195 0.000 0.912 180 T HN 1.058 nan 8.240 nan 0.000 0.483 181 A N 3.030 126.009 122.820 0.265 0.000 2.520 181 A HA 0.697 5.017 4.320 0.001 0.000 0.298 181 A C -0.067 177.595 177.584 0.129 0.000 1.051 181 A CA -0.873 51.326 52.037 0.270 0.000 0.690 181 A CB 1.358 20.466 19.000 0.180 0.000 1.281 181 A HN 0.595 nan 8.150 nan 0.000 0.402 182 T N 2.714 117.230 114.554 -0.063 0.000 2.817 182 T HA 0.502 4.853 4.350 0.001 0.000 0.293 182 T C -0.173 174.265 174.700 -0.435 0.000 0.964 182 T CA 0.094 61.907 62.100 -0.479 0.000 1.085 182 T CB 0.089 68.411 68.868 -0.911 0.000 0.921 182 T HN 0.414 nan 8.240 nan 0.000 0.502 183 L N 3.807 124.844 121.223 -0.310 0.000 2.272 183 L HA 0.481 4.822 4.340 0.001 0.000 0.289 183 L C 0.253 176.927 176.870 -0.326 0.000 1.032 183 L CA -0.554 54.167 54.840 -0.198 0.000 0.810 183 L CB 1.330 43.452 42.059 0.106 0.000 1.205 183 L HN 0.545 nan 8.230 nan 0.000 0.422 184 Q N 2.844 122.360 119.800 -0.474 0.000 2.333 184 Q HA 0.295 4.636 4.340 0.001 0.000 0.267 184 Q C -1.057 174.752 176.000 -0.319 0.000 1.012 184 Q CA -0.601 54.886 55.803 -0.528 0.000 0.824 184 Q CB 2.463 30.837 28.738 -0.606 0.000 1.290 184 Q HN 0.768 nan 8.270 nan 0.000 0.449 185 C N 2.857 121.898 119.300 -0.433 0.000 2.605 185 C HA 0.532 4.993 4.460 0.001 0.000 0.404 185 C C 1.832 176.700 174.990 -0.202 0.000 1.284 185 C CA 0.367 59.211 59.018 -0.292 0.000 2.199 185 C CB -0.026 27.408 27.740 -0.510 0.000 2.647 185 C HN 1.030 nan 8.230 nan 0.000 0.604 186 A N 3.621 126.401 122.820 -0.067 0.000 2.024 186 A HA 0.044 4.364 4.320 0.001 0.000 0.220 186 A C 1.970 179.614 177.584 0.101 0.000 1.164 186 A CA 2.015 54.092 52.037 0.066 0.000 0.643 186 A CB -0.864 18.267 19.000 0.218 0.000 0.806 186 A HN 1.386 nan 8.150 nan 0.000 0.451 187 G N -0.742 108.114 108.800 0.093 0.000 3.141 187 G HA2 0.105 4.065 3.960 0.001 0.000 0.218 187 G HA3 0.105 4.065 3.960 0.001 0.000 0.218 187 G C 0.429 175.379 174.900 0.084 0.000 1.170 187 G CA 0.041 45.256 45.100 0.191 0.000 0.769 187 G HN 0.485 nan 8.290 nan 0.000 0.546 188 N N 1.133 119.743 118.700 -0.150 0.000 2.412 188 N HA 0.010 4.751 4.740 0.001 0.000 0.254 188 N C 1.055 176.585 175.510 0.034 0.000 1.232 188 N CA 0.170 53.119 53.050 -0.168 0.000 0.880 188 N CB 0.025 38.360 38.487 -0.254 0.000 1.076 188 N HN 0.304 nan 8.380 nan 0.000 0.458 189 R N 0.229 120.786 120.500 0.095 0.000 3.770 189 R HA -0.261 4.080 4.340 0.001 0.000 0.305 189 R C 1.101 177.486 176.300 0.142 0.000 1.184 189 R CA 0.966 57.132 56.100 0.111 0.000 0.823 189 R CB -1.520 28.824 30.300 0.074 0.000 1.285 189 R HN 0.692 nan 8.270 nan 0.000 0.499 190 R N 1.339 121.953 120.500 0.191 0.000 2.120 190 R HA -0.127 4.214 4.340 0.001 0.000 0.234 190 R C 2.018 178.407 176.300 0.149 0.000 1.123 190 R CA 2.013 58.217 56.100 0.172 0.000 0.975 190 R CB -0.069 30.366 30.300 0.226 0.000 0.866 190 R HN 0.446 nan 8.270 nan 0.000 0.446 191 S N 0.162 115.951 115.700 0.149 0.000 2.419 191 S HA -0.131 4.340 4.470 0.001 0.000 0.233 191 S C 1.487 176.169 174.600 0.137 0.000 1.016 191 S CA 1.227 59.503 58.200 0.127 0.000 0.974 191 S CB -0.131 63.134 63.200 0.108 0.000 0.786 191 S HN 0.502 nan 8.310 nan 0.000 0.492 192 E N 0.702 120.989 120.200 0.146 0.000 2.204 192 E HA 0.038 4.388 4.350 0.001 0.000 0.194 192 E C 2.009 178.710 176.600 0.168 0.000 0.989 192 E CA 0.959 57.451 56.400 0.154 0.000 0.824 192 E CB -0.256 29.544 29.700 0.166 0.000 0.756 192 E HN 0.569 nan 8.360 nan 0.000 0.477 193 M N 0.113 119.817 119.600 0.172 0.000 2.200 193 M HA -0.101 4.380 4.480 0.001 0.000 0.265 193 M C 2.265 178.753 176.300 0.313 0.000 1.066 193 M CA 0.944 56.382 55.300 0.230 0.000 1.127 193 M CB 0.138 32.806 32.600 0.113 0.000 1.379 193 M HN -0.015 nan 8.290 nan 0.000 0.420 194 S N 0.111 115.952 115.700 0.235 0.000 2.419 194 S HA -0.126 4.345 4.470 0.001 0.000 0.235 194 S C 1.700 176.413 174.600 0.189 0.000 1.019 194 S CA 1.144 59.484 58.200 0.233 0.000 0.982 194 S CB -0.282 63.016 63.200 0.163 0.000 0.789 194 S HN 0.369 nan 8.310 nan 0.000 0.490 195 R N 0.345 120.940 120.500 0.158 0.000 2.241 195 R HA 0.021 4.362 4.340 0.001 0.000 0.224 195 R C 1.823 178.184 176.300 0.101 0.000 1.101 195 R CA 0.645 56.814 56.100 0.116 0.000 0.995 195 R CB -0.216 30.145 30.300 0.102 0.000 0.870 195 R HN 0.260 nan 8.270 nan 0.000 0.463 196 V N -0.788 119.208 119.914 0.137 0.000 2.492 196 V HA 0.094 4.215 4.120 0.001 0.000 0.241 196 V C 0.748 176.819 176.094 -0.038 0.000 1.041 196 V CA 0.738 63.072 62.300 0.056 0.000 1.057 196 V CB -0.098 31.780 31.823 0.092 0.000 0.711 196 V HN 0.169 nan 8.190 nan 0.000 0.468 197 R N 0.331 120.857 120.500 0.043 0.000 2.560 197 R HA 0.292 4.633 4.340 0.001 0.000 0.267 197 R C -3.082 173.416 176.300 0.331 0.000 1.150 197 R CA -1.552 54.534 56.100 -0.023 0.000 0.997 197 R CB 2.248 32.198 30.300 -0.584 0.000 1.250 197 R HN 0.045 nan 8.270 nan 0.000 0.433 198 P HA -0.082 nan 4.420 nan 0.000 0.264 198 P C -0.421 177.134 177.300 0.426 0.000 1.173 198 P CA 0.079 63.348 63.100 0.281 0.000 0.761 198 P CB 0.582 32.393 31.700 0.186 0.000 0.794 199 V N -0.363 119.750 119.914 0.331 0.000 3.126 199 V HA 0.584 4.705 4.120 0.001 0.000 0.314 199 V C -0.297 175.944 176.094 0.246 0.000 1.138 199 V CA -1.128 61.346 62.300 0.290 0.000 1.034 199 V CB 2.472 34.366 31.823 0.118 0.000 1.075 199 V HN 0.269 nan 8.190 nan 0.000 0.442 200 K N 1.142 121.721 120.400 0.299 0.000 2.253 200 K HA 0.717 5.038 4.320 0.001 0.000 0.277 200 K C -0.125 176.604 176.600 0.214 0.000 1.053 200 K CA 0.725 57.163 56.287 0.252 0.000 0.892 200 K CB 0.597 33.293 32.500 0.326 0.000 1.102 200 K HN 1.550 nan 8.250 nan 0.000 0.469 201 G N 2.751 111.637 108.800 0.143 0.000 2.339 201 G HA2 0.059 4.019 3.960 0.001 0.000 0.302 201 G HA3 0.059 4.019 3.960 0.001 0.000 0.302 201 G C -1.304 173.622 174.900 0.044 0.000 1.425 201 G CA -1.074 44.108 45.100 0.136 0.000 0.899 201 G HN 0.477 nan 8.290 nan 0.000 0.619 202 L N 1.568 122.783 121.223 -0.014 0.000 2.540 202 L HA 0.229 4.570 4.340 0.001 0.000 0.276 202 L C -1.364 175.314 176.870 -0.319 0.000 1.212 202 L CA -0.993 53.682 54.840 -0.276 0.000 0.893 202 L CB 0.652 42.397 42.059 -0.523 0.000 1.138 202 L HN 0.335 nan 8.230 nan 0.000 0.491 203 P HA 0.012 nan 4.420 nan 0.000 0.225 203 P C -0.831 176.380 177.300 -0.147 0.000 1.813 203 P CA -0.404 62.608 63.100 -0.147 0.000 1.013 203 P CB -0.311 31.334 31.700 -0.091 0.000 1.961 204 W N 1.304 122.615 121.300 0.019 0.000 2.170 204 W HA 0.063 4.723 4.660 0.000 0.000 0.342 204 W C 1.281 177.801 176.519 0.003 0.000 1.294 204 W CA 0.020 57.362 57.345 -0.006 0.000 1.246 204 W CB 0.234 29.675 29.460 -0.031 0.000 1.156 204 W HN 0.236 nan 8.180 nan 0.000 0.572 205 D N 1.206 121.767 120.400 0.268 0.000 2.350 205 D HA 0.132 4.773 4.640 0.001 0.000 0.272 205 D C 1.143 177.518 176.300 0.124 0.000 1.204 205 D CA -0.229 53.867 54.000 0.161 0.000 1.124 205 D CB 0.188 41.064 40.800 0.126 0.000 1.189 205 D HN 0.330 nan 8.370 nan 0.000 0.556 206 I N -2.161 118.451 120.570 0.069 0.000 3.810 206 I HA 0.474 4.644 4.170 0.001 0.000 0.322 206 I C 0.994 177.153 176.117 0.070 0.000 1.288 206 I CA -0.119 61.204 61.300 0.038 0.000 1.143 206 I CB 0.179 38.141 38.000 -0.063 0.000 1.012 206 I HN 0.189 nan 8.210 nan 0.000 0.423 207 G N 1.006 109.810 108.800 0.007 0.000 3.453 207 G HA2 0.457 4.417 3.960 0.001 0.000 0.263 207 G HA3 0.457 4.417 3.960 0.001 0.000 0.263 207 G C 0.826 175.483 174.900 -0.405 0.000 1.060 207 G CA 0.261 45.299 45.100 -0.103 0.000 0.793 207 G HN 0.443 nan 8.290 nan 0.000 0.532 208 A N 0.979 123.408 122.820 -0.653 0.000 3.074 208 A HA 0.650 4.971 4.320 0.001 0.000 0.251 208 A C -0.116 176.361 177.584 -1.845 0.000 1.695 208 A CA -0.075 51.007 52.037 -1.591 0.000 1.343 208 A CB -0.681 17.281 19.000 -1.730 0.000 1.078 208 A HN 0.527 nan 8.150 nan 0.000 0.644 209 I N -0.834 118.874 120.570 -1.436 0.000 2.753 209 I HA 0.479 4.650 4.170 0.001 0.000 0.291 209 I C -1.176 174.482 176.117 -0.765 0.000 1.425 209 I CA 0.029 60.731 61.300 -0.996 0.000 1.039 209 I CB 1.958 39.480 38.000 -0.798 0.000 1.349 209 I HN 0.180 nan 8.210 nan 0.000 0.430 210 S N 2.931 118.096 115.700 -0.892 0.000 2.615 210 S HA 0.690 5.160 4.470 0.001 0.000 0.269 210 S C -1.297 172.492 174.600 -1.352 0.000 1.161 210 S CA -0.620 56.801 58.200 -1.298 0.000 0.817 210 S CB 2.359 64.456 63.200 -1.839 0.000 1.131 210 S HN 0.663 nan 8.310 nan 0.000 0.467 211 T N 1.214 115.042 114.554 -1.209 0.000 2.900 211 T HA 0.904 5.254 4.350 0.001 0.000 0.295 211 T C -0.997 173.486 174.700 -0.362 0.000 1.044 211 T CA -0.539 61.060 62.100 -0.835 0.000 0.995 211 T CB 1.753 69.791 68.868 -1.383 0.000 1.072 211 T HN 1.006 nan 8.240 nan 0.000 0.473 212 A N 1.880 124.493 122.820 -0.344 0.000 2.612 212 A HA 0.789 5.110 4.320 0.001 0.000 0.293 212 A C -1.054 176.109 177.584 -0.701 0.000 1.075 212 A CA -1.015 50.654 52.037 -0.612 0.000 0.680 212 A CB 1.382 19.692 19.000 -1.150 0.000 1.279 212 A HN 0.807 nan 8.150 nan 0.000 0.411 213 R N 1.010 121.179 120.500 -0.552 0.000 2.210 213 R HA 0.466 4.807 4.340 0.001 0.000 0.338 213 R C -1.541 174.479 176.300 -0.466 0.000 1.062 213 R CA -0.059 55.829 56.100 -0.353 0.000 0.902 213 R CB 0.259 30.462 30.300 -0.162 0.000 1.050 213 R HN 0.618 nan 8.270 nan 0.000 0.461 214 W N 2.901 124.095 121.300 -0.177 0.000 2.449 214 W HA 0.595 5.256 4.660 0.002 0.000 0.331 214 W C 0.416 176.784 176.519 -0.252 0.000 1.119 214 W CA -0.725 56.479 57.345 -0.235 0.000 1.240 214 W CB 1.976 31.275 29.460 -0.268 0.000 1.251 214 W HN 0.723 nan 8.180 nan 0.000 0.576 215 G N 0.454 109.212 108.800 -0.070 0.000 2.662 215 G HA2 0.728 4.689 3.960 0.001 0.000 0.302 215 G HA3 0.728 4.689 3.960 0.001 0.000 0.302 215 G C -0.757 173.821 174.900 -0.537 0.000 1.389 215 G CA -0.220 44.750 45.100 -0.217 0.000 0.998 215 G HN 0.895 nan 8.290 nan 0.000 0.502 216 G N -0.635 107.829 108.800 -0.560 0.000 2.335 216 G HA2 0.663 4.624 3.960 0.001 0.000 0.291 216 G HA3 0.663 4.624 3.960 0.001 0.000 0.291 216 G C -0.808 173.955 174.900 -0.228 0.000 1.261 216 G CA 0.259 44.824 45.100 -0.891 0.000 0.871 216 G HN 1.609 nan 8.290 nan 0.000 0.491 217 A N -0.186 122.595 122.820 -0.064 0.000 2.316 217 A HA 0.739 5.060 4.320 0.001 0.000 0.284 217 A C 0.611 178.139 177.584 -0.094 0.000 1.115 217 A CA -0.283 51.749 52.037 -0.009 0.000 0.812 217 A CB 0.324 19.258 19.000 -0.110 0.000 1.064 217 A HN 0.643 nan 8.150 nan 0.000 0.489 218 R N 1.560 122.022 120.500 -0.063 0.000 2.442 218 R HA 0.108 4.449 4.340 0.001 0.000 0.291 218 R C 1.096 177.303 176.300 -0.156 0.000 1.069 218 R CA -0.334 55.717 56.100 -0.082 0.000 1.022 218 R CB 0.465 30.726 30.300 -0.064 0.000 0.976 218 R HN 0.827 nan 8.270 nan 0.000 0.443 219 L N 3.561 124.696 121.223 -0.147 0.000 2.042 219 L HA -0.256 4.084 4.340 0.001 0.000 0.210 219 L C 2.679 179.468 176.870 -0.135 0.000 1.076 219 L CA 1.711 56.465 54.840 -0.144 0.000 0.749 219 L CB -0.273 41.725 42.059 -0.102 0.000 0.893 219 L HN 0.704 nan 8.230 nan 0.000 0.432 220 R N 0.066 120.494 120.500 -0.121 0.000 2.112 220 R HA -0.257 4.083 4.340 0.001 0.000 0.242 220 R C 1.776 178.047 176.300 -0.049 0.000 1.137 220 R CA 2.483 58.522 56.100 -0.101 0.000 0.944 220 R CB -0.402 29.848 30.300 -0.084 0.000 0.857 220 R HN 0.405 nan 8.270 nan 0.000 0.435 221 D N -0.183 120.191 120.400 -0.043 0.000 2.144 221 D HA -0.113 4.527 4.640 0.001 0.000 0.199 221 D C 1.962 178.292 176.300 0.050 0.000 0.984 221 D CA 1.173 55.204 54.000 0.052 0.000 0.834 221 D CB -0.090 40.785 40.800 0.124 0.000 0.955 221 D HN 0.159 nan 8.370 nan 0.000 0.465 222 V N 0.806 120.587 119.914 -0.221 0.000 2.453 222 V HA -0.159 3.961 4.120 0.001 0.000 0.247 222 V C 2.541 178.690 176.094 0.091 0.000 1.048 222 V CA 0.966 63.132 62.300 -0.224 0.000 1.049 222 V CB -0.315 31.287 31.823 -0.368 0.000 0.672 222 V HN 0.190 nan 8.190 nan 0.000 0.457 223 L N -0.876 120.381 121.223 0.058 0.000 2.109 223 L HA -0.105 4.236 4.340 0.001 0.000 0.207 223 L C 2.343 179.378 176.870 0.274 0.000 1.086 223 L CA 1.218 56.154 54.840 0.160 0.000 0.760 223 L CB -0.447 41.591 42.059 -0.036 0.000 0.910 223 L HN 0.291 nan 8.230 nan 0.000 0.437 224 L N -0.968 120.371 121.223 0.193 0.000 2.027 224 L HA -0.239 4.101 4.340 0.001 0.000 0.206 224 L C 2.705 179.713 176.870 0.230 0.000 1.074 224 L CA 1.186 56.143 54.840 0.195 0.000 0.745 224 L CB -0.746 41.400 42.059 0.146 0.000 0.898 224 L HN 0.282 nan 8.230 nan 0.000 0.433 225 H N 0.535 119.723 119.070 0.197 0.000 2.390 225 H HA -0.166 4.391 4.556 0.001 0.000 0.298 225 H C 2.032 177.452 175.328 0.153 0.000 1.106 225 H CA 1.452 57.623 56.048 0.205 0.000 1.297 225 H CB 0.050 30.037 29.762 0.376 0.000 1.375 225 H HN 0.292 nan 8.280 nan 0.000 0.509 226 A N -1.047 121.839 122.820 0.110 0.000 2.172 226 A HA 0.206 4.527 4.320 0.001 0.000 0.216 226 A C 2.147 179.665 177.584 -0.110 0.000 1.154 226 A CA 1.234 53.270 52.037 -0.002 0.000 0.701 226 A CB -0.705 18.417 19.000 0.204 0.000 0.789 226 A HN 0.867 nan 8.150 nan 0.000 0.465 227 G N -2.792 105.977 108.800 -0.052 0.000 2.184 227 G HA2 -0.184 3.777 3.960 0.001 0.000 0.206 227 G HA3 -0.184 3.777 3.960 0.001 0.000 0.206 227 G C 0.036 174.846 174.900 -0.150 0.000 0.995 227 G CA -0.134 44.884 45.100 -0.136 0.000 0.651 227 G HN 0.280 nan 8.290 nan 0.000 0.511 228 F N 2.892 122.843 119.950 0.002 0.000 2.496 228 F HA 0.473 5.001 4.527 0.001 0.000 0.344 228 F C -0.500 175.313 175.800 0.022 0.000 1.155 228 F CA -1.091 56.914 58.000 0.010 0.000 1.302 228 F CB 0.504 39.554 39.000 0.084 0.000 1.159 228 F HN -0.034 nan 8.300 nan 0.000 0.595 229 P HA 0.162 nan 4.420 nan 0.000 0.279 229 P C -0.330 177.072 177.300 0.170 0.000 1.276 229 P CA -0.383 62.790 63.100 0.120 0.000 0.801 229 P CB 0.838 32.563 31.700 0.041 0.000 1.127 230 E N -0.778 119.486 120.200 0.107 0.000 2.347 230 E HA -0.088 4.262 4.350 0.001 0.000 0.196 230 E C 0.479 177.165 176.600 0.145 0.000 1.008 230 E CA 0.865 57.322 56.400 0.095 0.000 0.852 230 E CB 0.335 30.066 29.700 0.051 0.000 0.783 230 E HN 0.515 nan 8.360 nan 0.000 0.505 231 E N 0.613 120.897 120.200 0.140 0.000 2.311 231 E HA 0.279 4.630 4.350 0.001 0.000 0.281 231 E C -1.531 175.063 176.600 -0.010 0.000 0.905 231 E CA -0.305 56.167 56.400 0.120 0.000 0.778 231 E CB 1.179 30.920 29.700 0.068 0.000 1.240 231 E HN -0.056 nan 8.360 nan 0.000 0.410 232 L N 2.880 124.018 121.223 -0.143 0.000 2.331 232 L HA 0.419 4.760 4.340 0.001 0.000 0.275 232 L C -0.058 176.746 176.870 -0.109 0.000 1.022 232 L CA -1.066 53.542 54.840 -0.386 0.000 0.812 232 L CB 1.743 43.090 42.059 -1.186 0.000 1.257 232 L HN 0.562 nan 8.230 nan 0.000 0.435 233 Q N 1.493 121.288 119.800 -0.008 0.000 2.304 233 Q HA 0.547 4.888 4.340 0.001 0.000 0.260 233 Q C 0.133 176.297 176.000 0.274 0.000 0.965 233 Q CA 1.051 56.922 55.803 0.114 0.000 0.898 233 Q CB 1.141 29.934 28.738 0.091 0.000 1.196 233 Q HN 0.766 nan 8.270 nan 0.000 0.402 234 G N 3.216 112.130 108.800 0.190 0.000 2.582 234 G HA2 -0.181 3.779 3.960 0.001 0.000 0.222 234 G HA3 -0.181 3.779 3.960 0.001 0.000 0.222 234 G C -1.200 173.783 174.900 0.139 0.000 1.311 234 G CA -0.537 44.647 45.100 0.139 0.000 0.915 234 G HN 0.621 nan 8.290 nan 0.000 0.528 235 E N 0.003 120.181 120.200 -0.037 0.000 2.046 235 E HA 0.447 4.798 4.350 0.001 0.000 0.279 235 E C -0.814 175.620 176.600 -0.276 0.000 0.989 235 E CA -0.182 56.161 56.400 -0.095 0.000 0.798 235 E CB 0.760 30.415 29.700 -0.075 0.000 1.086 235 E HN 0.379 nan 8.360 nan 0.000 0.399 236 W N 1.409 122.540 121.300 -0.281 0.000 2.655 236 W HA 0.363 5.025 4.660 0.004 0.000 0.358 236 W C 0.517 176.746 176.519 -0.485 0.000 1.100 236 W CA -0.394 56.778 57.345 -0.287 0.000 1.195 236 W CB 1.166 30.413 29.460 -0.354 0.000 1.403 236 W HN 0.409 nan 8.180 nan 0.000 0.589 237 H N 0.018 119.228 119.070 0.234 0.000 2.865 237 H HA 0.556 5.113 4.556 0.001 0.000 0.372 237 H C -1.256 174.115 175.328 0.071 0.000 1.173 237 H CA -0.887 55.228 56.048 0.112 0.000 1.147 237 H CB 1.981 31.741 29.762 -0.003 0.000 1.805 237 H HN 0.015 nan 8.280 nan 0.000 0.553 238 V N 2.262 122.193 119.914 0.029 0.000 2.357 238 V HA 0.163 4.283 4.120 0.001 0.000 0.284 238 V C 0.166 175.925 176.094 -0.558 0.000 1.018 238 V CA -0.503 61.667 62.300 -0.217 0.000 0.841 238 V CB 0.675 32.338 31.823 -0.267 0.000 0.991 238 V HN 0.758 nan 8.190 nan 0.000 0.437 239 C N 5.647 124.682 119.300 -0.442 0.000 2.365 239 C HA 0.757 5.218 4.460 0.001 0.000 0.351 239 C C -0.176 174.511 174.990 -0.505 0.000 1.240 239 C CA -0.715 58.028 59.018 -0.457 0.000 2.062 239 C CB 0.106 27.749 27.740 -0.161 0.000 2.387 239 C HN 0.663 nan 8.230 nan 0.000 0.537 240 F N 0.891 120.855 119.950 0.024 0.000 2.561 240 F HA 0.603 5.131 4.527 0.002 0.000 0.321 240 F C 0.303 176.131 175.800 0.046 0.000 1.065 240 F CA -0.895 57.122 58.000 0.029 0.000 0.934 240 F CB 1.046 40.056 39.000 0.017 0.000 1.215 240 F HN 0.521 nan 8.300 nan 0.000 0.471 241 E N 0.157 120.519 120.200 0.270 0.000 2.292 241 E HA 0.555 4.906 4.350 0.001 0.000 0.272 241 E C -0.423 176.312 176.600 0.226 0.000 0.881 241 E CA -0.871 55.653 56.400 0.206 0.000 0.754 241 E CB 2.610 32.401 29.700 0.153 0.000 1.201 241 E HN 0.815 nan 8.360 nan 0.000 0.425 242 G N 1.145 110.102 108.800 0.260 0.000 2.522 242 G HA2 0.317 4.278 3.960 0.001 0.000 0.304 242 G HA3 0.317 4.278 3.960 0.001 0.000 0.304 242 G C 0.593 175.640 174.900 0.245 0.000 1.210 242 G CA -0.511 44.764 45.100 0.291 0.000 0.960 242 G HN 0.481 nan 8.290 nan 0.000 0.497 243 L N -0.138 121.241 121.223 0.259 0.000 2.313 243 L HA 0.078 4.418 4.340 0.001 0.000 0.214 243 L C 0.741 177.645 176.870 0.057 0.000 1.119 243 L CA 0.203 55.135 54.840 0.152 0.000 0.809 243 L CB -0.280 41.870 42.059 0.151 0.000 0.933 243 L HN 0.551 nan 8.230 nan 0.000 0.449 244 D N 1.018 121.444 120.400 0.044 0.000 2.383 244 D HA 0.350 4.990 4.640 0.001 0.000 0.252 244 D C -0.221 176.115 176.300 0.061 0.000 1.166 244 D CA 0.041 54.010 54.000 -0.052 0.000 0.879 244 D CB 1.546 42.260 40.800 -0.143 0.000 1.164 244 D HN 0.026 nan 8.370 nan 0.000 0.462 245 A N 2.621 125.462 122.820 0.034 0.000 2.498 245 A HA 0.531 4.852 4.320 0.001 0.000 0.298 245 A C -0.498 177.135 177.584 0.082 0.000 1.075 245 A CA -0.918 51.176 52.037 0.095 0.000 0.714 245 A CB 1.344 20.392 19.000 0.080 0.000 1.299 245 A HN 0.672 nan 8.150 nan 0.000 0.407 246 D N 1.228 121.713 120.400 0.141 0.000 2.393 246 D HA 0.358 4.999 4.640 0.001 0.000 0.246 246 D C -1.771 174.566 176.300 0.062 0.000 1.275 246 D CA -1.079 52.995 54.000 0.123 0.000 0.979 246 D CB -0.378 40.527 40.800 0.174 0.000 1.101 246 D HN 0.130 nan 8.370 nan 0.000 0.505 247 P HA -0.009 nan 4.420 nan 0.000 0.215 247 P C 1.283 178.597 177.300 0.024 0.000 1.157 247 P CA 2.001 65.117 63.100 0.027 0.000 0.874 247 P CB -0.178 31.541 31.700 0.031 0.000 0.790 248 G N -1.971 106.846 108.800 0.028 0.000 3.332 248 G HA2 0.291 4.251 3.960 0.001 0.000 0.242 248 G HA3 0.291 4.251 3.960 0.001 0.000 0.242 248 G C 1.111 176.027 174.900 0.027 0.000 1.276 248 G CA 0.383 45.495 45.100 0.020 0.000 0.988 248 G HN 0.462 nan 8.290 nan 0.000 0.517 249 G N -0.982 107.840 108.800 0.037 0.000 2.234 249 G HA2 -0.009 3.952 3.960 0.001 0.000 0.260 249 G HA3 -0.009 3.952 3.960 0.001 0.000 0.260 249 G C 0.739 175.680 174.900 0.067 0.000 0.987 249 G CA 0.297 45.423 45.100 0.044 0.000 0.625 249 G HN 1.494 nan 8.290 nan 0.000 0.532 250 A N 1.989 124.860 122.820 0.084 0.000 2.450 250 A HA 0.651 4.972 4.320 0.001 0.000 0.255 250 A C -1.359 176.346 177.584 0.201 0.000 1.096 250 A CA -0.403 51.707 52.037 0.122 0.000 0.778 250 A CB 0.542 19.602 19.000 0.100 0.000 1.031 250 A HN 0.308 nan 8.150 nan 0.000 0.494 251 P HA 0.208 nan 4.420 nan 0.000 0.284 251 P C -0.853 176.636 177.300 0.314 0.000 1.258 251 P CA -0.403 62.832 63.100 0.225 0.000 0.824 251 P CB 0.591 32.392 31.700 0.169 0.000 1.038 252 Y N 1.530 121.914 120.300 0.139 0.000 2.610 252 Y HA 0.396 4.947 4.550 0.002 0.000 0.332 252 Y C 0.556 176.541 175.900 0.143 0.000 1.201 252 Y CA 1.397 59.487 58.100 -0.017 0.000 1.465 252 Y CB 0.027 38.326 38.460 -0.267 0.000 1.283 252 Y HN 0.616 nan 8.280 nan 0.000 0.563 253 G N 2.573 111.104 108.800 -0.448 0.000 2.690 253 G HA2 0.807 4.768 3.960 0.001 0.000 0.291 253 G HA3 0.807 4.768 3.960 0.001 0.000 0.291 253 G C -2.035 172.715 174.900 -0.251 0.000 1.403 253 G CA -0.375 44.625 45.100 -0.167 0.000 0.864 253 G HN 1.052 nan 8.290 nan 0.000 0.480 254 A N -0.332 122.487 122.820 -0.002 0.000 2.564 254 A HA 0.980 5.301 4.320 0.001 0.000 0.291 254 A C -0.378 177.237 177.584 0.052 0.000 1.102 254 A CA 0.162 52.231 52.037 0.054 0.000 0.660 254 A CB 1.318 20.411 19.000 0.154 0.000 1.283 254 A HN 2.331 nan 8.150 nan 0.000 0.430 255 S N -0.850 114.864 115.700 0.023 0.000 2.579 255 S HA 0.839 5.310 4.470 0.001 0.000 0.272 255 S C -0.728 173.892 174.600 0.032 0.000 1.141 255 S CA -0.103 58.037 58.200 -0.100 0.000 0.843 255 S CB 1.145 64.264 63.200 -0.134 0.000 1.122 255 S HN 2.057 nan 8.310 nan 0.000 0.468 256 I N -2.490 118.089 120.570 0.014 0.000 2.934 256 I HA 0.750 4.920 4.170 0.001 0.000 0.306 256 I C -3.249 172.943 176.117 0.125 0.000 1.110 256 I CA -3.167 58.196 61.300 0.106 0.000 1.019 256 I CB 2.063 40.139 38.000 0.127 0.000 1.227 256 I HN 0.318 nan 8.210 nan 0.000 0.434 257 P HA 0.052 nan 4.420 nan 0.000 0.268 257 P C -0.113 177.195 177.300 0.014 0.000 1.205 257 P CA 0.131 63.242 63.100 0.018 0.000 0.771 257 P CB 0.326 32.030 31.700 0.006 0.000 0.858 258 Y N 3.296 123.527 120.300 -0.116 0.000 2.151 258 Y HA -0.265 4.286 4.550 0.001 0.000 0.284 258 Y C 2.391 178.254 175.900 -0.061 0.000 1.166 258 Y CA 2.710 60.760 58.100 -0.083 0.000 1.163 258 Y CB -0.996 37.438 38.460 -0.043 0.000 0.974 258 Y HN 0.502 nan 8.280 nan 0.000 0.511 259 G N -0.204 108.635 108.800 0.065 0.000 2.469 259 G HA2 -0.357 3.604 3.960 0.001 0.000 0.219 259 G HA3 -0.357 3.604 3.960 0.001 0.000 0.219 259 G C 1.798 176.661 174.900 -0.063 0.000 1.150 259 G CA 1.045 46.150 45.100 0.009 0.000 0.763 259 G HN 0.432 nan 8.290 nan 0.000 0.561 260 R N 0.511 120.983 120.500 -0.047 0.000 2.075 260 R HA 0.077 4.418 4.340 0.001 0.000 0.232 260 R C 2.893 179.133 176.300 -0.099 0.000 1.126 260 R CA 1.397 57.471 56.100 -0.044 0.000 0.963 260 R CB -0.421 29.873 30.300 -0.010 0.000 0.858 260 R HN 0.268 nan 8.270 nan 0.000 0.435 261 A N 1.091 123.818 122.820 -0.154 0.000 1.908 261 A HA -0.142 4.179 4.320 0.001 0.000 0.218 261 A C 2.040 179.472 177.584 -0.254 0.000 1.181 261 A CA 1.120 53.036 52.037 -0.201 0.000 0.627 261 A CB -0.386 18.448 19.000 -0.275 0.000 0.818 261 A HN 0.311 nan 8.150 nan 0.000 0.445 262 L N -0.272 120.747 121.223 -0.341 0.000 2.375 262 L HA 0.068 4.409 4.340 0.001 0.000 0.215 262 L C 1.431 178.222 176.870 -0.130 0.000 1.108 262 L CA 0.883 55.559 54.840 -0.273 0.000 0.830 262 L CB -1.011 40.834 42.059 -0.358 0.000 0.959 262 L HN 0.445 nan 8.230 nan 0.000 0.457 263 S N 0.827 116.471 115.700 -0.092 0.000 2.498 263 S HA 0.101 4.572 4.470 0.001 0.000 0.281 263 S C -1.222 173.368 174.600 -0.017 0.000 1.265 263 S CA -1.036 57.145 58.200 -0.031 0.000 1.071 263 S CB 1.141 64.342 63.200 0.002 0.000 0.894 263 S HN -0.020 nan 8.310 nan 0.000 0.491 264 P HA -0.047 nan 4.420 nan 0.000 0.215 264 P C 1.424 178.753 177.300 0.048 0.000 1.153 264 P CA 1.518 64.616 63.100 -0.004 0.000 0.853 264 P CB -0.052 31.644 31.700 -0.006 0.000 0.788 265 A N 0.132 123.001 122.820 0.082 0.000 1.933 265 A HA -0.110 4.210 4.320 0.001 0.000 0.218 265 A C 2.292 180.049 177.584 0.288 0.000 1.175 265 A CA 1.993 54.127 52.037 0.161 0.000 0.628 265 A CB -1.573 17.505 19.000 0.130 0.000 0.814 265 A HN 0.206 nan 8.150 nan 0.000 0.444 266 A N -1.335 121.597 122.820 0.186 0.000 2.121 266 A HA 0.036 4.357 4.320 0.001 0.000 0.218 266 A C 0.801 178.322 177.584 -0.105 0.000 1.154 266 A CA 1.243 53.357 52.037 0.128 0.000 0.679 266 A CB -0.342 18.671 19.000 0.021 0.000 0.795 266 A HN 0.504 nan 8.150 nan 0.000 0.458 267 D N -1.537 118.859 120.400 -0.007 0.000 2.945 267 D HA -0.128 4.512 4.640 0.001 0.000 0.225 267 D C -0.212 175.972 176.300 -0.194 0.000 1.158 267 D CA 0.982 54.956 54.000 -0.043 0.000 0.805 267 D CB -1.999 38.783 40.800 -0.031 0.000 1.098 267 D HN 0.254 nan 8.370 nan 0.000 0.426 268 V N 1.025 120.821 119.914 -0.197 0.000 2.529 268 V HA 0.113 4.233 4.120 0.001 0.000 0.292 268 V C 1.075 177.049 176.094 -0.199 0.000 1.028 268 V CA 0.318 62.479 62.300 -0.232 0.000 1.074 268 V CB 0.998 32.716 31.823 -0.174 0.000 0.958 268 V HN 0.094 nan 8.190 nan 0.000 0.481 269 L N 5.475 126.538 121.223 -0.266 0.000 2.333 269 L HA 0.572 4.913 4.340 0.001 0.000 0.269 269 L C -0.447 176.245 176.870 -0.298 0.000 1.010 269 L CA -0.773 53.920 54.840 -0.245 0.000 0.818 269 L CB 2.124 44.029 42.059 -0.257 0.000 1.306 269 L HN 0.444 nan 8.230 nan 0.000 0.430 270 L N 2.792 123.869 121.223 -0.243 0.000 2.353 270 L HA 0.455 4.795 4.340 0.001 0.000 0.269 270 L C 0.293 177.028 176.870 -0.225 0.000 1.085 270 L CA -0.361 54.342 54.840 -0.229 0.000 0.938 270 L CB 0.964 42.935 42.059 -0.146 0.000 1.312 270 L HN 0.613 nan 8.230 nan 0.000 0.429 271 A N 2.196 124.837 122.820 -0.298 0.000 2.388 271 A HA 0.405 4.725 4.320 0.001 0.000 0.257 271 A C 0.001 177.459 177.584 -0.211 0.000 1.095 271 A CA -0.132 51.712 52.037 -0.322 0.000 0.791 271 A CB 0.158 19.010 19.000 -0.246 0.000 1.029 271 A HN 0.719 nan 8.150 nan 0.000 0.489 272 Y N -0.866 119.403 120.300 -0.052 0.000 2.563 272 Y HA 0.509 5.060 4.550 0.001 0.000 0.250 272 Y C 0.063 175.960 175.900 -0.005 0.000 1.126 272 Y CA -0.565 57.498 58.100 -0.061 0.000 1.231 272 Y CB -0.057 38.361 38.460 -0.070 0.000 1.288 272 Y HN 0.568 nan 8.280 nan 0.000 0.537 273 E N 1.740 121.916 120.200 -0.040 0.000 2.317 273 E HA 0.559 4.909 4.350 0.001 0.000 0.270 273 E C -1.615 174.961 176.600 -0.039 0.000 0.885 273 E CA -1.051 55.353 56.400 0.008 0.000 0.760 273 E CB 2.897 32.597 29.700 0.001 0.000 1.227 273 E HN 0.223 nan 8.360 nan 0.000 0.434 274 M N 3.142 122.668 119.600 -0.123 0.000 2.165 274 M HA 0.298 4.778 4.480 0.001 0.000 0.283 274 M C -1.213 174.871 176.300 -0.360 0.000 0.978 274 M CA -0.316 54.760 55.300 -0.373 0.000 0.948 274 M CB 1.049 33.393 32.600 -0.427 0.000 1.599 274 M HN 0.457 nan 8.290 nan 0.000 0.450 275 N N 3.491 121.938 118.700 -0.423 0.000 2.716 275 N HA -0.192 4.549 4.740 0.001 0.000 0.250 275 N C 0.658 176.074 175.510 -0.156 0.000 1.033 275 N CA 1.777 54.661 53.050 -0.276 0.000 0.727 275 N CB -1.263 37.062 38.487 -0.270 0.000 0.950 275 N HN 1.213 nan 8.380 nan 0.000 0.541 276 G N -2.493 106.232 108.800 -0.124 0.000 2.179 276 G HA2 -0.341 3.619 3.960 0.001 0.000 0.260 276 G HA3 -0.341 3.619 3.960 0.001 0.000 0.260 276 G C 0.303 175.182 174.900 -0.035 0.000 0.977 276 G CA 1.485 46.548 45.100 -0.061 0.000 0.641 276 G HN 1.154 nan 8.290 nan 0.000 0.533 277 T N -1.967 112.558 114.554 -0.048 0.000 2.910 277 T HA 0.686 5.036 4.350 0.001 0.000 0.287 277 T C 0.074 174.783 174.700 0.015 0.000 1.050 277 T CA 0.001 62.094 62.100 -0.013 0.000 1.011 277 T CB 2.128 70.981 68.868 -0.025 0.000 1.195 277 T HN 0.817 nan 8.240 nan 0.000 0.540 278 E N 0.903 121.138 120.200 0.058 0.000 2.390 278 E HA 0.274 4.624 4.350 0.001 0.000 0.261 278 E C -0.345 176.328 176.600 0.122 0.000 1.076 278 E CA -0.875 55.602 56.400 0.128 0.000 0.905 278 E CB 0.453 30.270 29.700 0.195 0.000 0.984 278 E HN 0.562 nan 8.360 nan 0.000 0.427 279 L N 3.313 124.638 121.223 0.170 0.000 2.700 279 L HA 0.014 4.355 4.340 0.001 0.000 0.276 279 L C -1.895 175.101 176.870 0.210 0.000 1.200 279 L CA -1.106 53.827 54.840 0.153 0.000 0.951 279 L CB -0.183 41.955 42.059 0.130 0.000 1.226 279 L HN 0.468 nan 8.230 nan 0.000 0.489 280 P HA 0.050 nan 4.420 nan 0.000 0.269 280 P C 0.354 177.751 177.300 0.162 0.000 1.215 280 P CA -0.142 63.021 63.100 0.106 0.000 0.780 280 P CB 0.540 32.331 31.700 0.151 0.000 0.898 281 R N 1.110 121.681 120.500 0.117 0.000 2.096 281 R HA -0.181 4.160 4.340 0.001 0.000 0.240 281 R C 1.423 177.930 176.300 0.345 0.000 1.139 281 R CA 1.673 57.928 56.100 0.258 0.000 0.952 281 R CB -0.669 29.702 30.300 0.118 0.000 0.854 281 R HN 0.532 nan 8.270 nan 0.000 0.436 282 D N -0.353 120.116 120.400 0.114 0.000 2.221 282 D HA -0.121 4.519 4.640 0.001 0.000 0.204 282 D C 1.085 177.184 176.300 -0.334 0.000 0.982 282 D CA 1.149 55.135 54.000 -0.024 0.000 0.857 282 D CB -0.028 40.630 40.800 -0.237 0.000 0.934 282 D HN 0.393 nan 8.370 nan 0.000 0.475 283 H N -1.569 117.446 119.070 -0.091 0.000 2.505 283 H HA 0.371 4.928 4.556 0.001 0.000 0.286 283 H C 1.308 176.338 175.328 -0.496 0.000 1.072 283 H CA 0.645 56.508 56.048 -0.308 0.000 1.141 283 H CB 0.925 30.523 29.762 -0.273 0.000 1.550 283 H HN 0.163 nan 8.280 nan 0.000 0.547 284 G N 1.160 109.571 108.800 -0.648 0.000 2.168 284 G HA2 -0.253 3.708 3.960 0.001 0.000 0.197 284 G HA3 -0.253 3.708 3.960 0.001 0.000 0.197 284 G C 0.104 174.766 174.900 -0.396 0.000 0.997 284 G CA -0.315 44.129 45.100 -1.094 0.000 0.658 284 G HN 0.355 nan 8.290 nan 0.000 0.513 285 F N 2.912 122.795 119.950 -0.112 0.000 2.623 285 F HA 0.304 4.831 4.527 0.001 0.000 0.381 285 F C -0.251 175.563 175.800 0.024 0.000 1.081 285 F CA 0.062 58.053 58.000 -0.015 0.000 1.293 285 F CB 0.918 39.943 39.000 0.042 0.000 1.006 285 F HN 0.018 nan 8.300 nan 0.000 0.578 286 P HA 0.062 nan 4.420 nan 0.000 0.245 286 P C -0.694 176.262 177.300 -0.573 0.000 1.199 286 P CA 0.608 62.878 63.100 -1.384 0.000 0.807 286 P CB 0.658 31.400 31.700 -1.597 0.000 1.002 287 V N 1.256 120.899 119.914 -0.451 0.000 2.760 287 V HA 0.452 4.573 4.120 0.001 0.000 0.309 287 V C -0.053 175.892 176.094 -0.248 0.000 1.077 287 V CA -0.812 61.344 62.300 -0.240 0.000 0.910 287 V CB 2.736 34.492 31.823 -0.111 0.000 1.008 287 V HN 0.127 nan 8.190 nan 0.000 0.424 288 R N 2.512 122.840 120.500 -0.288 0.000 2.836 288 R HA 0.898 5.239 4.340 0.001 0.000 0.269 288 R C -1.735 174.305 176.300 -0.432 0.000 1.010 288 R CA -0.808 55.060 56.100 -0.388 0.000 0.930 288 R CB 2.015 32.016 30.300 -0.498 0.000 1.218 288 R HN 0.320 nan 8.270 nan 0.000 0.473 289 V N 1.573 121.167 119.914 -0.533 0.000 2.607 289 V HA 0.349 4.469 4.120 0.001 0.000 0.289 289 V C -0.326 175.388 176.094 -0.634 0.000 1.053 289 V CA -0.627 61.295 62.300 -0.629 0.000 0.996 289 V CB 1.533 32.777 31.823 -0.965 0.000 0.995 289 V HN 0.518 nan 8.190 nan 0.000 0.476 290 V N 4.975 124.516 119.914 -0.622 0.000 2.407 290 V HA 0.343 4.464 4.120 0.001 0.000 0.291 290 V C -0.301 175.475 176.094 -0.529 0.000 1.018 290 V CA -0.504 61.367 62.300 -0.715 0.000 0.842 290 V CB 1.878 33.083 31.823 -1.030 0.000 0.996 290 V HN 0.616 nan 8.190 nan 0.000 0.426 291 V N 7.383 127.038 119.914 -0.433 0.000 2.259 291 V HA 0.315 4.436 4.120 0.001 0.000 0.267 291 V C -2.276 173.617 176.094 -0.336 0.000 1.051 291 V CA -1.929 60.174 62.300 -0.328 0.000 0.830 291 V CB 1.018 32.730 31.823 -0.186 0.000 1.080 291 V HN 0.690 nan 8.190 nan 0.000 0.467 292 P HA 0.225 nan 4.420 nan 0.000 0.266 292 P C 1.135 178.265 177.300 -0.283 0.000 1.195 292 P CA 1.159 63.918 63.100 -0.570 0.000 0.768 292 P CB 0.752 31.537 31.700 -1.525 0.000 0.838 293 G N 0.473 109.455 108.800 0.303 0.000 2.184 293 G HA2 -0.196 3.764 3.960 0.001 0.000 0.264 293 G HA3 -0.196 3.764 3.960 0.001 0.000 0.264 293 G C 0.007 175.118 174.900 0.351 0.000 0.975 293 G CA 0.072 45.477 45.100 0.508 0.000 0.642 293 G HN 0.550 nan 8.290 nan 0.000 0.536 294 V N 0.236 120.288 119.914 0.231 0.000 2.864 294 V HA 0.695 4.815 4.120 0.001 0.000 0.314 294 V C 0.990 177.152 176.094 0.113 0.000 1.073 294 V CA -0.403 61.985 62.300 0.147 0.000 0.956 294 V CB 1.945 33.796 31.823 0.046 0.000 1.023 294 V HN 0.591 nan 8.190 nan 0.000 0.435 295 V N 3.897 123.865 119.914 0.089 0.000 2.814 295 V HA 0.146 4.267 4.120 0.001 0.000 0.307 295 V C 1.693 177.750 176.094 -0.061 0.000 1.089 295 V CA 1.432 63.742 62.300 0.016 0.000 1.212 295 V CB 1.203 33.027 31.823 0.001 0.000 0.912 295 V HN 1.110 nan 8.190 nan 0.000 0.497 296 G N 4.806 113.549 108.800 -0.095 0.000 2.505 296 G HA2 -0.318 3.642 3.960 0.001 0.000 0.220 296 G HA3 -0.318 3.642 3.960 0.001 0.000 0.220 296 G C 1.635 176.457 174.900 -0.130 0.000 1.145 296 G CA 1.214 46.252 45.100 -0.103 0.000 0.761 296 G HN 1.456 nan 8.290 nan 0.000 0.571 297 A N 0.423 123.131 122.820 -0.187 0.000 2.054 297 A HA -0.157 4.163 4.320 0.001 0.000 0.223 297 A C 2.394 180.002 177.584 0.040 0.000 1.169 297 A CA 1.959 53.906 52.037 -0.149 0.000 0.655 297 A CB -0.267 18.419 19.000 -0.523 0.000 0.812 297 A HN 0.301 nan 8.150 nan 0.000 0.462 298 R N 0.101 120.599 120.500 -0.004 0.000 2.276 298 R HA 0.122 4.463 4.340 0.001 0.000 0.196 298 R C 0.319 176.604 176.300 -0.024 0.000 0.961 298 R CA 0.352 56.490 56.100 0.064 0.000 1.024 298 R CB -0.923 29.419 30.300 0.070 0.000 0.940 298 R HN 0.360 nan 8.270 nan 0.000 0.480 299 S N 1.817 117.429 115.700 -0.147 0.000 3.919 299 S HA 0.150 4.621 4.470 0.001 0.000 0.245 299 S C 0.108 174.526 174.600 -0.304 0.000 1.344 299 S CA -0.287 57.725 58.200 -0.313 0.000 0.896 299 S CB 0.186 63.144 63.200 -0.403 0.000 1.557 299 S HN -0.102 nan 8.310 nan 0.000 0.468 300 V N 4.486 124.250 119.914 -0.250 0.000 2.493 300 V HA 0.037 4.158 4.120 0.001 0.000 0.292 300 V C 0.788 176.713 176.094 -0.282 0.000 1.016 300 V CA 0.254 62.479 62.300 -0.124 0.000 1.097 300 V CB 0.024 31.876 31.823 0.048 0.000 0.947 300 V HN 0.580 nan 8.190 nan 0.000 0.479 301 K N 4.344 124.533 120.400 -0.352 0.000 2.090 301 K HA 0.271 4.592 4.320 0.001 0.000 0.250 301 K C -0.165 176.247 176.600 -0.313 0.000 1.004 301 K CA -0.554 55.342 56.287 -0.652 0.000 0.919 301 K CB 0.593 32.290 32.500 -1.339 0.000 1.045 301 K HN 0.710 nan 8.250 nan 0.000 0.471 302 W N 1.162 122.413 121.300 -0.082 0.000 6.486 302 W HA -0.212 4.448 4.660 0.000 0.000 0.411 302 W C -0.332 176.199 176.519 0.019 0.000 1.595 302 W CA -0.453 56.863 57.345 -0.048 0.000 1.075 302 W CB -1.951 27.501 29.460 -0.013 0.000 2.798 302 W HN 0.379 nan 8.180 nan 0.000 1.534 303 L N 2.111 123.398 121.223 0.107 0.000 2.559 303 L HA -0.012 4.329 4.340 0.001 0.000 0.274 303 L C 1.844 178.864 176.870 0.250 0.000 1.205 303 L CA 1.235 56.157 54.840 0.137 0.000 0.907 303 L CB 0.435 42.514 42.059 0.033 0.000 1.153 303 L HN 0.287 nan 8.230 nan 0.000 0.490 304 R N 3.854 124.478 120.500 0.207 0.000 2.369 304 R HA 0.304 4.645 4.340 0.001 0.000 0.210 304 R C 0.444 176.805 176.300 0.103 0.000 0.881 304 R CA -0.329 55.866 56.100 0.158 0.000 1.031 304 R CB 0.426 30.813 30.300 0.144 0.000 1.184 304 R HN 0.563 nan 8.270 nan 0.000 0.581 305 R N 0.728 121.310 120.500 0.137 0.000 2.643 305 R HA 0.426 4.766 4.340 0.001 0.000 0.269 305 R C -1.956 174.451 176.300 0.178 0.000 1.037 305 R CA -0.639 55.536 56.100 0.125 0.000 0.894 305 R CB 2.739 33.099 30.300 0.100 0.000 1.238 305 R HN 0.014 nan 8.270 nan 0.000 0.459 306 V N 2.381 122.388 119.914 0.155 0.000 2.531 306 V HA 0.813 4.933 4.120 0.001 0.000 0.301 306 V C -0.716 175.427 176.094 0.081 0.000 1.034 306 V CA -0.618 61.778 62.300 0.161 0.000 0.865 306 V CB 1.460 33.396 31.823 0.188 0.000 0.995 306 V HN 0.906 nan 8.190 nan 0.000 0.424 307 A N 4.217 127.045 122.820 0.014 0.000 2.449 307 A HA 0.884 5.205 4.320 0.001 0.000 0.302 307 A C -1.047 176.536 177.584 -0.003 0.000 1.048 307 A CA -0.578 51.484 52.037 0.042 0.000 0.708 307 A CB 1.975 21.011 19.000 0.059 0.000 1.274 307 A HN 0.604 nan 8.150 nan 0.000 0.410 308 V N 1.452 121.392 119.914 0.042 0.000 2.509 308 V HA 0.739 4.859 4.120 0.001 0.000 0.284 308 V C 0.498 176.739 176.094 0.244 0.000 1.047 308 V CA 0.051 62.382 62.300 0.052 0.000 0.952 308 V CB 1.451 33.139 31.823 -0.225 0.000 0.988 308 V HN 1.033 nan 8.190 nan 0.000 0.469 309 S N 4.946 120.833 115.700 0.312 0.000 2.556 309 S HA 0.579 5.049 4.470 0.001 0.000 0.271 309 S C -2.378 172.268 174.600 0.075 0.000 1.135 309 S CA -1.159 57.177 58.200 0.228 0.000 0.858 309 S CB 2.490 65.741 63.200 0.085 0.000 1.114 309 S HN 0.478 nan 8.310 nan 0.000 0.468 310 P HA 0.185 nan 4.420 nan 0.000 0.233 310 P C -0.456 176.698 177.300 -0.244 0.000 1.167 310 P CA 0.737 63.367 63.100 -0.784 0.000 0.770 310 P CB -0.070 31.119 31.700 -0.852 0.000 0.837 311 D N -0.380 119.963 120.400 -0.095 0.000 2.419 311 D HA 0.217 4.858 4.640 0.001 0.000 0.234 311 D C 0.250 176.402 176.300 -0.246 0.000 1.014 311 D CA -0.672 53.260 54.000 -0.112 0.000 0.919 311 D CB 1.708 42.431 40.800 -0.128 0.000 1.366 311 D HN -0.034 nan 8.370 nan 0.000 0.490 312 E N 0.035 119.910 120.200 -0.542 0.000 2.428 312 E HA 0.069 4.420 4.350 0.001 0.000 0.257 312 E C 0.127 176.581 176.600 -0.244 0.000 1.197 312 E CA 0.056 56.116 56.400 -0.567 0.000 0.974 312 E CB 0.551 29.983 29.700 -0.447 0.000 0.976 312 E HN 0.206 nan 8.360 nan 0.000 0.463 313 S N 1.556 117.150 115.700 -0.177 0.000 2.546 313 S HA 0.018 4.488 4.470 0.001 0.000 0.290 313 S C -1.594 172.954 174.600 -0.088 0.000 1.290 313 S CA -1.216 56.922 58.200 -0.103 0.000 1.069 313 S CB 0.546 63.701 63.200 -0.075 0.000 0.846 313 S HN 0.305 nan 8.310 nan 0.000 0.495 314 P HA 0.072 nan 4.420 nan 0.000 0.249 314 P C 0.367 177.634 177.300 -0.056 0.000 1.229 314 P CA -0.035 63.028 63.100 -0.061 0.000 0.788 314 P CB -0.310 31.363 31.700 -0.045 0.000 1.072 315 S N -0.405 115.272 115.700 -0.038 0.000 2.576 315 S HA -0.068 4.403 4.470 0.001 0.000 0.272 315 S C 1.433 175.969 174.600 -0.107 0.000 1.352 315 S CA 0.203 58.388 58.200 -0.026 0.000 1.021 315 S CB 0.220 63.459 63.200 0.066 0.000 0.887 315 S HN 0.180 nan 8.310 nan 0.000 0.542 316 H N 2.088 120.948 119.070 -0.351 0.000 2.353 316 H HA -0.108 4.448 4.556 0.000 0.000 0.298 316 H C 1.362 176.392 175.328 -0.497 0.000 1.103 316 H CA 2.484 58.194 56.048 -0.563 0.000 1.293 316 H CB -0.164 29.031 29.762 -0.945 0.000 1.372 316 H HN 0.770 nan 8.280 nan 0.000 0.501 317 W N 0.138 121.329 121.300 -0.182 0.000 2.699 317 W HA -0.033 4.629 4.660 0.004 0.000 0.249 317 W C 1.928 178.432 176.519 -0.024 0.000 1.280 317 W CA 0.941 58.215 57.345 -0.118 0.000 1.345 317 W CB -0.197 29.246 29.460 -0.029 0.000 1.128 317 W HN 0.453 nan 8.180 nan 0.000 0.642 318 Q N -0.041 119.790 119.800 0.052 0.000 2.324 318 Q HA -0.061 4.280 4.340 0.001 0.000 0.207 318 Q C 2.212 178.198 176.000 -0.025 0.000 0.928 318 Q CA 1.086 56.914 55.803 0.042 0.000 0.890 318 Q CB -0.117 28.617 28.738 -0.006 0.000 1.001 318 Q HN -0.050 nan 8.270 nan 0.000 0.517 319 Q N -0.072 119.654 119.800 -0.122 0.000 2.134 319 Q HA 0.143 4.484 4.340 0.001 0.000 0.195 319 Q C 0.300 176.179 176.000 -0.202 0.000 0.958 319 Q CA 0.883 56.612 55.803 -0.123 0.000 0.840 319 Q CB 0.318 28.980 28.738 -0.128 0.000 0.918 319 Q HN 0.350 nan 8.270 nan 0.000 0.467 320 N N 1.100 119.479 118.700 -0.534 0.000 2.467 320 N HA 0.160 4.901 4.740 0.001 0.000 0.278 320 N C -1.000 173.739 175.510 -1.284 0.000 1.306 320 N CA 0.100 52.512 53.050 -1.063 0.000 0.905 320 N CB 1.156 39.178 38.487 -0.775 0.000 1.236 320 N HN 0.111 nan 8.380 nan 0.000 0.509 321 D N -1.006 119.043 120.400 -0.585 0.000 2.738 321 D HA 0.181 4.822 4.640 0.001 0.000 0.308 321 D C -0.941 175.406 176.300 0.078 0.000 1.311 321 D CA -0.340 53.510 54.000 -0.250 0.000 0.799 321 D CB 0.407 40.898 40.800 -0.516 0.000 1.332 321 D HN -0.039 nan 8.370 nan 0.000 0.441 322 Y N -0.586 119.874 120.300 0.267 0.000 3.001 322 Y HA -0.217 4.334 4.550 0.001 0.000 0.199 322 Y C 0.084 176.059 175.900 0.126 0.000 1.320 322 Y CA 0.841 59.060 58.100 0.200 0.000 0.974 322 Y CB -1.420 37.157 38.460 0.194 0.000 1.291 322 Y HN 0.142 nan 8.280 nan 0.000 0.465 323 K N -0.431 120.073 120.400 0.174 0.000 2.477 323 K HA 0.776 5.097 4.320 0.001 0.000 0.255 323 K C 0.387 176.770 176.600 -0.362 0.000 0.952 323 K CA -0.623 55.594 56.287 -0.118 0.000 0.826 323 K CB 2.477 34.845 32.500 -0.220 0.000 1.331 323 K HN 0.207 nan 8.250 nan 0.000 0.437 324 G N 1.338 109.830 108.800 -0.513 0.000 2.356 324 G HA2 0.670 4.630 3.960 0.001 0.000 0.322 324 G HA3 0.670 4.630 3.960 0.001 0.000 0.322 324 G C -1.155 173.289 174.900 -0.759 0.000 1.125 324 G CA -0.270 44.564 45.100 -0.443 0.000 0.885 324 G HN 0.286 nan 8.290 nan 0.000 0.467 325 F N -0.078 119.782 119.950 -0.149 0.000 2.631 325 F HA 0.598 5.125 4.527 0.001 0.000 0.328 325 F C 0.807 176.555 175.800 -0.087 0.000 1.067 325 F CA -0.862 57.047 58.000 -0.151 0.000 0.969 325 F CB 2.099 40.958 39.000 -0.235 0.000 1.332 325 F HN 0.444 nan 8.300 nan 0.000 0.490 326 S N 2.267 118.065 115.700 0.163 0.000 2.568 326 S HA 0.121 4.591 4.470 0.001 0.000 0.282 326 S C -1.440 173.251 174.600 0.151 0.000 1.338 326 S CA -1.072 57.194 58.200 0.110 0.000 1.045 326 S CB 0.627 63.877 63.200 0.083 0.000 0.873 326 S HN 0.395 nan 8.310 nan 0.000 0.516 327 P HA -0.036 nan 4.420 nan 0.000 0.225 327 P C 1.566 179.013 177.300 0.245 0.000 1.148 327 P CA 0.913 64.197 63.100 0.307 0.000 0.779 327 P CB -0.682 31.158 31.700 0.233 0.000 0.780 328 C N -2.656 116.720 119.300 0.127 0.000 2.464 328 C HA 0.149 4.610 4.460 0.001 0.000 0.278 328 C C 1.331 176.359 174.990 0.063 0.000 1.375 328 C CA -0.464 58.595 59.018 0.068 0.000 1.761 328 C CB -1.454 26.306 27.740 0.034 0.000 1.944 328 C HN -0.064 nan 8.230 nan 0.000 0.509 329 V N 3.089 123.038 119.914 0.059 0.000 2.655 329 V HA 0.296 4.417 4.120 0.001 0.000 0.300 329 V C 0.000 176.064 176.094 -0.051 0.000 1.044 329 V CA 1.125 63.397 62.300 -0.048 0.000 1.095 329 V CB 0.562 32.288 31.823 -0.163 0.000 0.952 329 V HN 0.532 nan 8.190 nan 0.000 0.485 330 D N 2.024 122.358 120.400 -0.110 0.000 2.614 330 D HA 0.314 4.955 4.640 0.001 0.000 0.264 330 D C 0.313 176.505 176.300 -0.179 0.000 1.092 330 D CA -0.697 53.251 54.000 -0.087 0.000 1.071 330 D CB 1.240 42.069 40.800 0.049 0.000 1.443 330 D HN 0.414 nan 8.370 nan 0.000 0.528 331 W N 0.136 121.448 121.300 0.020 0.000 2.387 331 W HA -0.101 4.559 4.660 -0.001 0.000 0.272 331 W C 1.429 177.942 176.519 -0.011 0.000 1.224 331 W CA 1.064 58.411 57.345 0.003 0.000 1.210 331 W CB 0.118 29.598 29.460 0.033 0.000 1.125 331 W HN 0.439 nan 8.180 nan 0.000 0.572 332 D N -2.349 118.151 120.400 0.167 0.000 2.366 332 D HA -0.054 4.587 4.640 0.001 0.000 0.205 332 D C 1.641 177.958 176.300 0.029 0.000 1.022 332 D CA 1.436 55.496 54.000 0.100 0.000 0.868 332 D CB -1.182 39.669 40.800 0.085 0.000 0.953 332 D HN 0.127 nan 8.370 nan 0.000 0.514 333 T N -2.521 112.016 114.554 -0.027 0.000 3.023 333 T HA 0.158 4.509 4.350 0.001 0.000 0.253 333 T C 0.774 175.384 174.700 -0.151 0.000 1.038 333 T CA -0.359 61.701 62.100 -0.066 0.000 0.962 333 T CB -0.247 68.585 68.868 -0.061 0.000 1.018 333 T HN 0.027 nan 8.240 nan 0.000 0.521 334 V N 3.091 122.858 119.914 -0.245 0.000 2.493 334 V HA 0.303 4.424 4.120 0.001 0.000 0.292 334 V C -0.708 175.201 176.094 -0.308 0.000 1.016 334 V CA 0.047 62.045 62.300 -0.503 0.000 1.097 334 V CB 0.392 31.765 31.823 -0.750 0.000 0.947 334 V HN 0.493 nan 8.190 nan 0.000 0.479 335 D N 5.621 125.831 120.400 -0.318 0.000 2.462 335 D HA 0.249 4.890 4.640 0.001 0.000 0.245 335 D C 0.206 176.529 176.300 0.038 0.000 1.122 335 D CA -0.326 53.638 54.000 -0.060 0.000 0.864 335 D CB 0.906 41.703 40.800 -0.005 0.000 1.098 335 D HN 0.550 nan 8.370 nan 0.000 0.541 336 Y N 2.097 122.454 120.300 0.095 0.000 2.651 336 Y HA -0.009 4.541 4.550 -0.001 0.000 0.296 336 Y C 1.918 177.905 175.900 0.145 0.000 1.150 336 Y CA 0.813 59.047 58.100 0.223 0.000 1.348 336 Y CB 0.169 38.707 38.460 0.130 0.000 0.983 336 Y HN 0.312 nan 8.280 nan 0.000 0.555 337 R N -0.963 119.654 120.500 0.195 0.000 2.310 337 R HA -0.002 4.338 4.340 0.001 0.000 0.202 337 R C 1.712 178.061 176.300 0.082 0.000 0.933 337 R CA 1.174 57.342 56.100 0.112 0.000 1.054 337 R CB -0.162 30.184 30.300 0.076 0.000 0.985 337 R HN 0.300 nan 8.270 nan 0.000 0.489 338 T N -2.947 111.671 114.554 0.107 0.000 3.107 338 T HA 0.367 4.718 4.350 0.001 0.000 0.249 338 T C 0.559 175.270 174.700 0.017 0.000 1.096 338 T CA -0.040 62.103 62.100 0.072 0.000 1.012 338 T CB 0.544 69.471 68.868 0.098 0.000 0.977 338 T HN 0.095 nan 8.240 nan 0.000 0.527 339 A N 2.211 125.011 122.820 -0.033 0.000 2.475 339 A HA 0.789 5.110 4.320 0.001 0.000 0.301 339 A C -2.967 174.552 177.584 -0.107 0.000 1.059 339 A CA -2.047 49.890 52.037 -0.165 0.000 0.710 339 A CB 1.412 20.109 19.000 -0.506 0.000 1.288 339 A HN 0.158 nan 8.150 nan 0.000 0.408 340 P HA 0.426 nan 4.420 nan 0.000 0.278 340 P C -0.020 177.264 177.300 -0.026 0.000 1.238 340 P CA 0.022 63.101 63.100 -0.035 0.000 0.794 340 P CB 1.135 32.822 31.700 -0.021 0.000 0.955 341 A N 3.750 126.581 122.820 0.017 0.000 2.540 341 A HA 0.137 4.457 4.320 0.001 0.000 0.239 341 A C 0.737 178.354 177.584 0.055 0.000 1.061 341 A CA -0.257 51.813 52.037 0.055 0.000 0.758 341 A CB -0.800 18.236 19.000 0.060 0.000 0.991 341 A HN 0.518 nan 8.150 nan 0.000 0.502 342 I N 2.599 123.218 120.570 0.082 0.000 2.668 342 I HA -0.041 4.129 4.170 0.001 0.000 0.285 342 I C 1.148 177.311 176.117 0.076 0.000 1.168 342 I CA 0.225 61.569 61.300 0.074 0.000 1.424 342 I CB 0.365 38.426 38.000 0.101 0.000 1.377 342 I HN 0.776 nan 8.210 nan 0.000 0.560 343 Q N 4.791 124.633 119.800 0.069 0.000 2.160 343 Q HA 0.263 4.604 4.340 0.001 0.000 0.166 343 Q C -0.027 176.026 176.000 0.089 0.000 0.592 343 Q CA -0.085 55.763 55.803 0.074 0.000 0.711 343 Q CB -0.056 28.726 28.738 0.073 0.000 1.157 343 Q HN 0.577 nan 8.270 nan 0.000 0.463 344 E N 1.456 121.707 120.200 0.085 0.000 2.398 344 E HA 0.196 4.546 4.350 0.001 0.000 0.263 344 E C -0.404 176.256 176.600 0.101 0.000 1.046 344 E CA 0.039 56.498 56.400 0.098 0.000 0.908 344 E CB 0.634 30.373 29.700 0.065 0.000 0.963 344 E HN 0.143 nan 8.360 nan 0.000 0.431 345 L N 3.955 125.265 121.223 0.146 0.000 2.352 345 L HA 0.440 4.781 4.340 0.001 0.000 0.269 345 L C -1.902 175.016 176.870 0.080 0.000 1.034 345 L CA -2.048 52.895 54.840 0.171 0.000 0.806 345 L CB 1.064 43.353 42.059 0.384 0.000 1.244 345 L HN 0.418 nan 8.230 nan 0.000 0.447 346 P HA 0.073 nan 4.420 nan 0.000 0.279 346 P C -0.549 176.788 177.300 0.062 0.000 1.276 346 P CA -0.379 62.748 63.100 0.046 0.000 0.801 346 P CB 1.181 32.915 31.700 0.057 0.000 1.127 347 V N 0.676 120.607 119.914 0.029 0.000 2.788 347 V HA 0.070 4.190 4.120 0.001 0.000 0.307 347 V C -0.074 176.106 176.094 0.142 0.000 1.069 347 V CA 1.011 63.340 62.300 0.049 0.000 1.173 347 V CB -0.021 31.808 31.823 0.010 0.000 0.925 347 V HN 0.694 nan 8.190 nan 0.000 0.492 348 Q N 4.905 124.836 119.800 0.218 0.000 2.377 348 Q HA 0.739 5.079 4.340 0.001 0.000 0.279 348 Q C -1.115 175.057 176.000 0.286 0.000 1.049 348 Q CA -0.018 55.950 55.803 0.275 0.000 0.825 348 Q CB 2.490 31.461 28.738 0.387 0.000 1.401 348 Q HN 1.194 nan 8.270 nan 0.000 0.404 349 S N 0.888 116.700 115.700 0.186 0.000 2.567 349 S HA 1.020 5.490 4.470 0.001 0.000 0.270 349 S C -1.542 172.984 174.600 -0.122 0.000 1.152 349 S CA -0.281 57.954 58.200 0.058 0.000 0.835 349 S CB 1.228 64.486 63.200 0.096 0.000 1.115 349 S HN 1.336 nan 8.310 nan 0.000 0.459 350 A N 0.893 123.477 122.820 -0.393 0.000 2.604 350 A HA 0.738 5.058 4.320 0.001 0.000 0.295 350 A C -1.208 176.375 177.584 -0.002 0.000 1.067 350 A CA -0.739 51.130 52.037 -0.279 0.000 0.683 350 A CB 1.411 19.999 19.000 -0.687 0.000 1.281 350 A HN 1.343 nan 8.150 nan 0.000 0.407 351 V N 2.054 122.225 119.914 0.429 0.000 2.461 351 V HA 0.372 4.493 4.120 0.001 0.000 0.275 351 V C 1.435 177.593 176.094 0.107 0.000 1.047 351 V CA 0.787 63.250 62.300 0.270 0.000 0.955 351 V CB 0.844 32.838 31.823 0.285 0.000 0.988 351 V HN 1.187 nan 8.190 nan 0.000 0.471 352 T N 0.793 115.289 114.554 -0.097 0.000 3.014 352 T HA 0.169 4.519 4.350 0.001 0.000 0.250 352 T C 0.409 175.078 174.700 -0.052 0.000 1.060 352 T CA 0.062 62.128 62.100 -0.055 0.000 1.040 352 T CB 0.269 69.076 68.868 -0.102 0.000 0.971 352 T HN 0.577 nan 8.240 nan 0.000 0.497 353 Q N 1.567 121.314 119.800 -0.089 0.000 2.268 353 Q HA 0.438 4.779 4.340 0.001 0.000 0.266 353 Q C -3.162 172.818 176.000 -0.032 0.000 1.006 353 Q CA -2.228 53.539 55.803 -0.059 0.000 0.824 353 Q CB 2.958 31.643 28.738 -0.088 0.000 1.306 353 Q HN 0.075 nan 8.270 nan 0.000 0.424 354 P HA 0.314 nan 4.420 nan 0.000 0.293 354 P C -0.875 176.433 177.300 0.014 0.000 1.304 354 P CA -0.498 62.601 63.100 -0.001 0.000 0.767 354 P CB 1.067 32.768 31.700 0.002 0.000 1.247 355 R N -0.590 119.921 120.500 0.019 0.000 2.573 355 R HA 0.471 4.812 4.340 0.001 0.000 0.272 355 R C -2.139 174.176 176.300 0.025 0.000 1.009 355 R CA -2.114 54.007 56.100 0.034 0.000 1.059 355 R CB -0.628 29.694 30.300 0.037 0.000 1.112 355 R HN 0.373 nan 8.270 nan 0.000 0.517 356 P HA -0.024 nan 4.420 nan 0.000 0.264 356 P C 0.703 178.015 177.300 0.020 0.000 1.183 356 P CA 0.946 64.058 63.100 0.020 0.000 0.763 356 P CB 0.398 32.119 31.700 0.036 0.000 0.807 357 G N 1.403 110.210 108.800 0.012 0.000 2.234 357 G HA2 -0.229 3.731 3.960 0.001 0.000 0.260 357 G HA3 -0.229 3.731 3.960 0.001 0.000 0.260 357 G C 0.520 175.426 174.900 0.009 0.000 0.987 357 G CA 0.078 45.185 45.100 0.012 0.000 0.625 357 G HN 0.867 nan 8.290 nan 0.000 0.532 358 A N 0.139 122.964 122.820 0.009 0.000 2.507 358 A HA 0.693 5.014 4.320 0.001 0.000 0.235 358 A C 0.808 178.394 177.584 0.004 0.000 1.070 358 A CA 1.253 53.294 52.037 0.007 0.000 0.768 358 A CB 0.434 19.438 19.000 0.007 0.000 1.011 358 A HN 2.128 nan 8.150 nan 0.000 0.502 359 A N 1.401 124.223 122.820 0.004 0.000 2.271 359 A HA 0.586 4.907 4.320 0.001 0.000 0.317 359 A C -0.085 177.499 177.584 0.001 0.000 1.245 359 A CA -0.082 51.956 52.037 0.002 0.000 0.857 359 A CB 0.412 19.413 19.000 0.002 0.000 1.175 359 A HN 2.101 nan 8.150 nan 0.000 0.512 360 V N 0.773 120.686 119.914 -0.001 0.000 2.555 360 V HA 0.748 4.869 4.120 0.001 0.000 0.302 360 V C -2.738 173.355 176.094 -0.002 0.000 1.038 360 V CA -2.690 59.610 62.300 -0.001 0.000 0.887 360 V CB 1.464 33.286 31.823 -0.002 0.000 0.991 360 V HN 0.692 nan 8.190 nan 0.000 0.434 361 P HA 0.208 nan 4.420 nan 0.000 0.266 361 P C -2.514 174.785 177.300 -0.002 0.000 1.193 361 P CA -0.580 62.520 63.100 -0.001 0.000 0.770 361 P CB -0.310 31.389 31.700 -0.001 0.000 0.836 362 P HA 0.105 nan 4.420 nan 0.000 0.274 362 P C 0.869 178.167 177.300 -0.003 0.000 1.260 362 P CA 0.594 63.691 63.100 -0.003 0.000 0.793 362 P CB 0.111 31.809 31.700 -0.003 0.000 1.048 363 G N 0.077 108.875 108.800 -0.003 0.000 3.298 363 G HA2 -0.161 3.799 3.960 0.001 0.000 0.260 363 G HA3 -0.161 3.799 3.960 0.001 0.000 0.260 363 G C -0.748 174.151 174.900 -0.002 0.000 1.681 363 G CA -0.181 44.917 45.100 -0.002 0.000 1.094 363 G HN 0.617 nan 8.290 nan 0.000 0.575 364 E N -0.043 120.157 120.200 -0.000 0.000 2.222 364 E HA 0.628 4.979 4.350 0.001 0.000 0.267 364 E C -1.404 175.198 176.600 0.002 0.000 0.884 364 E CA -0.790 55.611 56.400 0.001 0.000 0.764 364 E CB 2.624 32.326 29.700 0.003 0.000 1.169 364 E HN 0.533 nan 8.360 nan 0.000 0.413 365 L N 1.772 122.998 121.223 0.005 0.000 2.381 365 L HA 0.393 4.734 4.340 0.001 0.000 0.274 365 L C -0.931 175.948 176.870 0.015 0.000 0.988 365 L CA -0.136 54.708 54.840 0.007 0.000 0.824 365 L CB 2.045 44.108 42.059 0.006 0.000 1.263 365 L HN 0.371 nan 8.230 nan 0.000 0.410 366 T N 4.746 119.306 114.554 0.010 0.000 2.727 366 T HA 0.461 4.811 4.350 0.001 0.000 0.298 366 T C -0.196 174.511 174.700 0.012 0.000 0.942 366 T CA -0.263 61.845 62.100 0.014 0.000 0.997 366 T CB 0.649 69.515 68.868 -0.002 0.000 0.917 366 T HN 0.369 nan 8.240 nan 0.000 0.487 367 V N 5.341 125.288 119.914 0.055 0.000 2.465 367 V HA 0.426 4.547 4.120 0.001 0.000 0.279 367 V C 0.324 176.402 176.094 -0.027 0.000 1.045 367 V CA -0.518 61.826 62.300 0.073 0.000 0.938 367 V CB 1.053 33.002 31.823 0.210 0.000 0.986 367 V HN 0.730 nan 8.190 nan 0.000 0.467 368 K N 2.482 122.710 120.400 -0.287 0.000 2.395 368 K HA 0.875 5.195 4.320 0.001 0.000 0.247 368 K C -0.021 175.850 176.600 -1.216 0.000 0.973 368 K CA -0.592 55.268 56.287 -0.711 0.000 0.828 368 K CB 2.673 34.925 32.500 -0.414 0.000 1.272 368 K HN 0.904 nan 8.250 nan 0.000 0.439 369 G N 0.472 108.123 108.800 -1.915 0.000 2.489 369 G HA2 0.409 4.369 3.960 0.001 0.000 0.305 369 G HA3 0.409 4.369 3.960 0.001 0.000 0.305 369 G C -2.136 172.083 174.900 -1.135 0.000 1.311 369 G CA -0.690 43.534 45.100 -1.459 0.000 0.813 369 G HN 0.540 nan 8.290 nan 0.000 0.480 370 Y N -1.748 118.320 120.300 -0.387 0.000 2.630 370 Y HA 0.915 5.466 4.550 0.001 0.000 0.337 370 Y C -0.106 176.016 175.900 0.371 0.000 1.051 370 Y CA -1.460 56.553 58.100 -0.144 0.000 1.121 370 Y CB 1.795 40.066 38.460 -0.314 0.000 1.299 370 Y HN 1.312 nan 8.280 nan 0.000 0.498 371 A N 0.958 124.163 122.820 0.642 0.000 2.574 371 A HA 0.692 5.012 4.320 0.001 0.000 0.297 371 A C -2.303 175.667 177.584 0.642 0.000 1.062 371 A CA -0.545 51.818 52.037 0.543 0.000 0.686 371 A CB 1.066 20.271 19.000 0.342 0.000 1.285 371 A HN 1.060 nan 8.150 nan 0.000 0.403 372 W N 0.810 122.303 121.300 0.322 0.000 3.153 372 W HA 0.649 5.310 4.660 0.001 0.000 0.316 372 W C -0.994 175.624 176.519 0.165 0.000 1.255 372 W CA 0.170 57.670 57.345 0.257 0.000 1.192 372 W CB 1.656 31.285 29.460 0.282 0.000 1.400 372 W HN 1.088 nan 8.180 nan 0.000 0.568 373 S N 1.696 116.933 115.700 -0.772 0.000 2.569 373 S HA 0.757 5.227 4.470 0.001 0.000 0.280 373 S C -0.192 173.483 174.600 -1.540 0.000 1.111 373 S CA -0.070 57.653 58.200 -0.794 0.000 0.887 373 S CB 1.045 64.014 63.200 -0.385 0.000 1.095 373 S HN 0.986 nan 8.310 nan 0.000 0.476 374 G N 0.509 108.732 108.800 -0.961 0.000 2.588 374 G HA2 0.478 4.439 3.960 0.001 0.000 0.281 374 G HA3 0.478 4.439 3.960 0.001 0.000 0.281 374 G C 1.037 175.784 174.900 -0.255 0.000 1.236 374 G CA 0.066 44.797 45.100 -0.615 0.000 0.969 374 G HN 1.885 nan 8.290 nan 0.000 0.504 375 G N -1.967 106.838 108.800 0.009 0.000 2.168 375 G HA2 0.193 4.154 3.960 0.001 0.000 0.257 375 G HA3 0.193 4.154 3.960 0.001 0.000 0.257 375 G C 1.465 176.403 174.900 0.063 0.000 0.997 375 G CA 1.145 46.301 45.100 0.095 0.000 0.708 375 G HN 2.562 nan 8.290 nan 0.000 0.520 376 G N -1.453 107.350 108.800 0.005 0.000 2.148 376 G HA2 -0.289 3.671 3.960 0.001 0.000 0.254 376 G HA3 -0.289 3.671 3.960 0.001 0.000 0.254 376 G C 0.361 175.031 174.900 -0.383 0.000 0.981 376 G CA 0.865 45.682 45.100 -0.471 0.000 0.670 376 G HN 1.049 nan 8.290 nan 0.000 0.528 377 R N 0.828 121.154 120.500 -0.290 0.000 2.267 377 R HA 0.358 4.699 4.340 0.001 0.000 0.319 377 R C 0.578 176.717 176.300 -0.267 0.000 1.067 377 R CA -0.379 55.567 56.100 -0.257 0.000 0.936 377 R CB 0.881 31.052 30.300 -0.215 0.000 1.006 377 R HN 0.547 nan 8.270 nan 0.000 0.452 378 E N 2.666 122.736 120.200 -0.218 0.000 2.392 378 E HA 0.025 4.376 4.350 0.001 0.000 0.264 378 E C -0.383 176.129 176.600 -0.147 0.000 1.024 378 E CA -0.388 55.915 56.400 -0.162 0.000 0.903 378 E CB 1.029 30.646 29.700 -0.139 0.000 0.963 378 E HN 0.361 nan 8.360 nan 0.000 0.432 379 V N 4.177 124.042 119.914 -0.081 0.000 2.461 379 V HA 0.169 4.290 4.120 0.001 0.000 0.275 379 V C 0.649 176.694 176.094 -0.080 0.000 1.047 379 V CA 0.079 62.336 62.300 -0.072 0.000 0.955 379 V CB 1.209 33.038 31.823 0.010 0.000 0.988 379 V HN 0.635 nan 8.190 nan 0.000 0.471 380 V N 2.607 122.441 119.914 -0.134 0.000 3.644 380 V HA 0.556 4.676 4.120 0.001 0.000 0.267 380 V C 0.763 176.798 176.094 -0.098 0.000 1.277 380 V CA 0.500 62.721 62.300 -0.132 0.000 1.096 380 V CB -0.626 31.065 31.823 -0.221 0.000 0.828 380 V HN 1.034 nan 8.190 nan 0.000 0.446 381 R N -0.770 119.667 120.500 -0.105 0.000 2.664 381 R HA 0.669 5.010 4.340 0.001 0.000 0.260 381 R C -2.353 173.848 176.300 -0.166 0.000 1.062 381 R CA -0.406 55.626 56.100 -0.112 0.000 0.902 381 R CB 2.644 32.882 30.300 -0.103 0.000 1.258 381 R HN 0.071 nan 8.270 nan 0.000 0.465 382 V N 2.933 122.714 119.914 -0.222 0.000 2.577 382 V HA 0.375 4.496 4.120 0.001 0.000 0.303 382 V C -1.044 174.824 176.094 -0.377 0.000 1.042 382 V CA -0.862 61.209 62.300 -0.382 0.000 0.872 382 V CB 1.974 33.412 31.823 -0.641 0.000 0.998 382 V HN 0.676 nan 8.190 nan 0.000 0.423 383 D N 3.106 123.269 120.400 -0.395 0.000 2.168 383 D HA 0.642 5.282 4.640 0.001 0.000 0.246 383 D C -0.643 175.571 176.300 -0.142 0.000 1.050 383 D CA -0.104 53.728 54.000 -0.280 0.000 0.857 383 D CB 2.531 43.024 40.800 -0.511 0.000 1.169 383 D HN 0.258 nan 8.370 nan 0.000 0.453 384 V N 1.103 121.047 119.914 0.051 0.000 2.656 384 V HA 0.504 4.625 4.120 0.001 0.000 0.307 384 V C -0.128 175.992 176.094 0.042 0.000 1.051 384 V CA -0.647 61.668 62.300 0.025 0.000 0.893 384 V CB 2.062 33.812 31.823 -0.122 0.000 0.999 384 V HN 0.515 nan 8.190 nan 0.000 0.426 385 S N 3.372 118.945 115.700 -0.211 0.000 2.513 385 S HA 0.672 5.142 4.470 0.001 0.000 0.299 385 S C 0.209 174.618 174.600 -0.317 0.000 1.087 385 S CA -0.619 57.257 58.200 -0.540 0.000 1.012 385 S CB 1.549 63.926 63.200 -1.372 0.000 1.044 385 S HN 0.620 nan 8.310 nan 0.000 0.485 386 L N 2.379 123.449 121.223 -0.255 0.000 2.616 386 L HA 0.298 4.639 4.340 0.001 0.000 0.229 386 L C 0.253 177.026 176.870 -0.163 0.000 1.110 386 L CA 0.164 54.909 54.840 -0.158 0.000 0.884 386 L CB 0.030 42.026 42.059 -0.104 0.000 1.115 386 L HN 0.682 nan 8.230 nan 0.000 0.481 387 D N -0.911 119.351 120.400 -0.230 0.000 2.892 387 D HA 0.240 4.880 4.640 0.001 0.000 0.291 387 D C 1.143 177.331 176.300 -0.186 0.000 1.341 387 D CA -0.020 53.872 54.000 -0.180 0.000 0.844 387 D CB 0.396 41.099 40.800 -0.162 0.000 1.093 387 D HN 0.095 nan 8.370 nan 0.000 0.480 388 G N -0.364 108.325 108.800 -0.184 0.000 2.148 388 G HA2 -0.046 3.914 3.960 0.001 0.000 0.254 388 G HA3 -0.046 3.914 3.960 0.001 0.000 0.254 388 G C 1.044 175.870 174.900 -0.123 0.000 0.981 388 G CA 0.134 45.171 45.100 -0.105 0.000 0.670 388 G HN 1.508 nan 8.290 nan 0.000 0.528 389 G N -0.759 107.777 108.800 -0.439 0.000 2.167 389 G HA2 -0.030 3.930 3.960 0.001 0.000 0.194 389 G HA3 -0.030 3.930 3.960 0.001 0.000 0.194 389 G C 0.808 175.501 174.900 -0.345 0.000 1.027 389 G CA 1.002 45.716 45.100 -0.643 0.000 0.717 389 G HN 1.639 nan 8.290 nan 0.000 0.501 390 R N -0.930 119.328 120.500 -0.404 0.000 2.250 390 R HA 0.311 4.651 4.340 0.001 0.000 0.194 390 R C 0.903 177.070 176.300 -0.222 0.000 0.927 390 R CA 0.992 56.994 56.100 -0.164 0.000 1.052 390 R CB 0.108 30.364 30.300 -0.074 0.000 1.055 390 R HN 0.764 nan 8.270 nan 0.000 0.537 391 T N -1.716 112.569 114.554 -0.448 0.000 2.893 391 T HA 0.607 4.958 4.350 0.001 0.000 0.291 391 T C -1.402 172.970 174.700 -0.547 0.000 1.028 391 T CA -0.782 61.134 62.100 -0.307 0.000 0.995 391 T CB 1.637 70.413 68.868 -0.153 0.000 1.051 391 T HN 0.274 nan 8.240 nan 0.000 0.470 392 W N 0.669 121.914 121.300 -0.091 0.000 3.033 392 W HA 0.698 5.358 4.660 0.001 0.000 0.336 392 W C -0.351 176.108 176.519 -0.101 0.000 1.173 392 W CA -0.940 56.331 57.345 -0.124 0.000 1.185 392 W CB 2.098 31.460 29.460 -0.163 0.000 1.425 392 W HN 0.622 nan 8.180 nan 0.000 0.536 393 K N 0.860 121.343 120.400 0.138 0.000 2.395 393 K HA 0.675 4.996 4.320 0.001 0.000 0.247 393 K C -1.183 175.430 176.600 0.023 0.000 0.973 393 K CA -1.208 55.114 56.287 0.058 0.000 0.828 393 K CB 2.545 35.058 32.500 0.021 0.000 1.272 393 K HN 0.160 nan 8.250 nan 0.000 0.439 394 V N 2.203 122.113 119.914 -0.007 0.000 2.488 394 V HA 0.227 4.347 4.120 0.001 0.000 0.277 394 V C 0.401 176.471 176.094 -0.040 0.000 1.046 394 V CA -0.420 61.852 62.300 -0.047 0.000 0.986 394 V CB 0.803 32.604 31.823 -0.037 0.000 0.989 394 V HN 0.908 nan 8.190 nan 0.000 0.475 395 A N 5.834 128.603 122.820 -0.085 0.000 2.259 395 A HA 0.594 4.915 4.320 0.001 0.000 0.278 395 A C 0.392 178.001 177.584 0.042 0.000 1.107 395 A CA -0.502 51.531 52.037 -0.008 0.000 0.828 395 A CB 0.386 19.356 19.000 -0.051 0.000 1.111 395 A HN 0.816 nan 8.150 nan 0.000 0.498 396 R N 0.442 121.010 120.500 0.113 0.000 2.312 396 R HA 0.518 4.859 4.340 0.001 0.000 0.311 396 R C -1.352 175.031 176.300 0.138 0.000 1.004 396 R CA -0.336 55.821 56.100 0.095 0.000 0.902 396 R CB 0.265 30.611 30.300 0.076 0.000 1.073 396 R HN 0.661 nan 8.270 nan 0.000 0.457 397 L N 6.198 127.479 121.223 0.097 0.000 2.289 397 L HA 0.451 4.792 4.340 0.001 0.000 0.285 397 L C 0.196 177.113 176.870 0.077 0.000 1.049 397 L CA -0.744 54.166 54.840 0.116 0.000 0.804 397 L CB 1.479 43.590 42.059 0.088 0.000 1.195 397 L HN 0.528 nan 8.230 nan 0.000 0.428 398 M N 1.730 121.379 119.600 0.081 0.000 2.662 398 M HA 0.959 5.440 4.480 0.001 0.000 0.310 398 M C -0.030 176.298 176.300 0.047 0.000 1.204 398 M CA -0.505 54.814 55.300 0.032 0.000 0.891 398 M CB 1.944 34.545 32.600 0.002 0.000 1.732 398 M HN 0.660 nan 8.290 nan 0.000 0.467 399 G N 0.889 109.647 108.800 -0.069 0.000 2.369 399 G HA2 0.163 4.124 3.960 0.001 0.000 0.295 399 G HA3 0.163 4.124 3.960 0.001 0.000 0.295 399 G C -2.373 172.420 174.900 -0.179 0.000 1.298 399 G CA -0.800 44.194 45.100 -0.178 0.000 0.940 399 G HN 0.691 nan 8.290 nan 0.000 0.536 400 D N 1.088 121.390 120.400 -0.163 0.000 2.481 400 D HA 0.358 4.998 4.640 0.001 0.000 0.246 400 D C 0.051 176.341 176.300 -0.016 0.000 1.109 400 D CA -0.554 53.391 54.000 -0.092 0.000 0.845 400 D CB 1.722 42.446 40.800 -0.126 0.000 1.160 400 D HN 0.337 nan 8.370 nan 0.000 0.534 401 K N 1.223 121.613 120.400 -0.017 0.000 2.438 401 K HA 0.049 4.370 4.320 0.001 0.000 0.270 401 K C -0.032 176.558 176.600 -0.016 0.000 1.095 401 K CA 0.277 56.555 56.287 -0.016 0.000 1.174 401 K CB 0.194 32.680 32.500 -0.023 0.000 0.830 401 K HN 0.455 nan 8.250 nan 0.000 0.487 402 A N 6.268 129.071 122.820 -0.028 0.000 2.269 402 A HA 0.621 4.942 4.320 0.001 0.000 0.327 402 A C -2.084 175.452 177.584 -0.079 0.000 1.112 402 A CA -1.373 50.636 52.037 -0.048 0.000 0.865 402 A CB 0.254 19.204 19.000 -0.083 0.000 1.227 402 A HN 0.451 nan 8.150 nan 0.000 0.498 403 P HA 0.288 nan 4.420 nan 0.000 0.270 403 P C -2.668 174.553 177.300 -0.131 0.000 1.223 403 P CA -1.080 61.973 63.100 -0.079 0.000 0.785 403 P CB -0.823 30.849 31.700 -0.047 0.000 0.923 404 P HA 0.030 nan 4.420 nan 0.000 0.264 404 P C 1.046 178.249 177.300 -0.162 0.000 1.183 404 P CA 1.249 64.276 63.100 -0.121 0.000 0.763 404 P CB -0.184 31.470 31.700 -0.077 0.000 0.807 405 G N 2.905 111.580 108.800 -0.207 0.000 2.166 405 G HA2 -0.326 3.635 3.960 0.001 0.000 0.260 405 G HA3 -0.326 3.635 3.960 0.001 0.000 0.260 405 G C 0.514 175.118 174.900 -0.492 0.000 0.986 405 G CA 0.089 45.040 45.100 -0.247 0.000 0.683 405 G HN 0.624 nan 8.290 nan 0.000 0.527 406 R N -0.556 119.552 120.500 -0.653 0.000 2.668 406 R HA 0.520 4.861 4.340 0.001 0.000 0.435 406 R C 0.748 176.295 176.300 -1.256 0.000 1.059 406 R CA 0.222 55.547 56.100 -1.291 0.000 1.073 406 R CB 0.872 30.797 30.300 -0.626 0.000 1.401 406 R HN 0.501 nan 8.270 nan 0.000 0.590 407 A N 0.714 123.068 122.820 -0.777 0.000 2.915 407 A HA 0.101 4.421 4.320 0.001 0.000 0.292 407 A C 0.122 177.586 177.584 -0.199 0.000 1.632 407 A CA -0.521 51.289 52.037 -0.378 0.000 1.337 407 A CB -0.656 18.215 19.000 -0.214 0.000 1.111 407 A HN 0.626 nan 8.150 nan 0.000 0.569 408 W N 2.147 123.542 121.300 0.158 0.000 2.770 408 W HA 0.320 4.981 4.660 0.001 0.000 0.256 408 W C 1.127 177.894 176.519 0.415 0.000 1.291 408 W CA 0.268 57.766 57.345 0.255 0.000 1.396 408 W CB 0.304 29.873 29.460 0.182 0.000 1.114 408 W HN 0.659 nan 8.180 nan 0.000 0.637 409 A N 0.712 123.848 122.820 0.526 0.000 2.325 409 A HA 0.527 4.848 4.320 0.001 0.000 0.333 409 A C -0.564 177.409 177.584 0.648 0.000 1.155 409 A CA -0.882 51.415 52.037 0.434 0.000 0.814 409 A CB 0.153 19.379 19.000 0.377 0.000 1.206 409 A HN 0.198 nan 8.150 nan 0.000 0.482 410 W N 0.886 122.392 121.300 0.344 0.000 2.089 410 W HA 0.518 5.179 4.660 0.001 0.000 0.355 410 W C -0.000 176.730 176.519 0.352 0.000 1.305 410 W CA -1.073 56.499 57.345 0.378 0.000 1.281 410 W CB -0.489 29.043 29.460 0.119 0.000 1.183 410 W HN 0.892 nan 8.180 nan 0.000 0.604 411 A N 3.180 126.320 122.820 0.533 0.000 2.303 411 A HA 0.699 5.020 4.320 0.001 0.000 0.320 411 A C -0.810 176.877 177.584 0.172 0.000 1.192 411 A CA -0.970 51.279 52.037 0.353 0.000 0.821 411 A CB 0.350 19.521 19.000 0.285 0.000 1.188 411 A HN 0.704 nan 8.150 nan 0.000 0.492 412 L N 3.371 124.620 121.223 0.043 0.000 2.357 412 L HA 0.589 4.929 4.340 0.001 0.000 0.273 412 L C -0.144 176.748 176.870 0.038 0.000 1.080 412 L CA -0.561 54.192 54.840 -0.146 0.000 0.803 412 L CB 0.983 42.900 42.059 -0.236 0.000 1.174 412 L HN 0.888 nan 8.230 nan 0.000 0.443 413 W N 2.632 123.897 121.300 -0.058 0.000 3.031 413 W HA 0.717 5.377 4.660 0.001 0.000 0.337 413 W C -1.303 175.195 176.519 -0.035 0.000 1.187 413 W CA -0.812 56.513 57.345 -0.033 0.000 1.166 413 W CB 1.593 31.039 29.460 -0.023 0.000 1.437 413 W HN 0.668 nan 8.180 nan 0.000 0.551 414 E N 1.373 121.783 120.200 0.350 0.000 2.372 414 E HA 0.677 5.027 4.350 0.001 0.000 0.279 414 E C -2.569 174.200 176.600 0.282 0.000 0.946 414 E CA -1.047 55.484 56.400 0.218 0.000 0.769 414 E CB 2.744 32.455 29.700 0.019 0.000 1.230 414 E HN 0.375 nan 8.360 nan 0.000 0.442 415 L N 1.520 122.894 121.223 0.251 0.000 2.482 415 L HA 0.421 4.762 4.340 0.001 0.000 0.269 415 L C -1.267 175.663 176.870 0.101 0.000 0.967 415 L CA 0.021 54.959 54.840 0.163 0.000 0.851 415 L CB 2.385 44.544 42.059 0.167 0.000 1.242 415 L HN 0.731 nan 8.230 nan 0.000 0.404 416 T N 4.222 118.813 114.554 0.062 0.000 2.728 416 T HA 0.573 4.924 4.350 0.001 0.000 0.296 416 T C -0.626 174.092 174.700 0.029 0.000 0.940 416 T CA -0.062 62.061 62.100 0.038 0.000 1.013 416 T CB 1.019 69.902 68.868 0.025 0.000 0.912 416 T HN 0.395 nan 8.240 nan 0.000 0.484 417 V N 6.327 126.255 119.914 0.024 0.000 2.914 417 V HA 0.642 4.762 4.120 0.001 0.000 0.314 417 V C -2.358 173.739 176.094 0.005 0.000 1.084 417 V CA -2.653 59.655 62.300 0.014 0.000 0.963 417 V CB 2.649 34.480 31.823 0.013 0.000 1.025 417 V HN 0.631 nan 8.190 nan 0.000 0.432 418 P HA 0.288 nan 4.420 nan 0.000 0.281 418 P C -1.069 176.226 177.300 -0.008 0.000 1.252 418 P CA 0.104 63.202 63.100 -0.004 0.000 0.778 418 P CB 1.235 32.932 31.700 -0.005 0.000 0.895 419 V N 0.026 119.936 119.914 -0.007 0.000 2.656 419 V HA 0.595 4.716 4.120 0.001 0.000 0.307 419 V C -0.280 175.809 176.094 -0.010 0.000 1.051 419 V CA -1.208 61.086 62.300 -0.010 0.000 0.893 419 V CB 1.893 33.711 31.823 -0.009 0.000 0.999 419 V HN 0.294 nan 8.190 nan 0.000 0.426 420 E N 3.075 123.268 120.200 -0.012 0.000 2.197 420 E HA 0.699 5.050 4.350 0.001 0.000 0.281 420 E C 0.374 176.968 176.600 -0.009 0.000 0.995 420 E CA -0.002 56.392 56.400 -0.010 0.000 0.808 420 E CB 1.578 31.271 29.700 -0.012 0.000 1.093 420 E HN 1.270 nan 8.360 nan 0.000 0.394 421 A N 3.253 126.069 122.820 -0.007 0.000 2.565 421 A HA 0.396 4.717 4.320 0.001 0.000 0.237 421 A C 1.245 178.825 177.584 -0.007 0.000 1.053 421 A CA 0.758 52.792 52.037 -0.006 0.000 0.755 421 A CB -0.586 18.412 19.000 -0.005 0.000 0.980 421 A HN 1.167 nan 8.150 nan 0.000 0.506 422 G N 1.802 110.599 108.800 -0.006 0.000 2.153 422 G HA2 -0.148 3.813 3.960 0.001 0.000 0.252 422 G HA3 -0.148 3.813 3.960 0.001 0.000 0.252 422 G C 0.429 175.324 174.900 -0.008 0.000 0.994 422 G CA 1.240 46.337 45.100 -0.006 0.000 0.698 422 G HN 2.172 nan 8.290 nan 0.000 0.521 423 T N -2.427 112.121 114.554 -0.010 0.000 2.944 423 T HA 0.717 5.067 4.350 0.001 0.000 0.284 423 T C -0.461 174.230 174.700 -0.015 0.000 1.010 423 T CA -0.824 61.268 62.100 -0.014 0.000 1.025 423 T CB 2.632 71.490 68.868 -0.017 0.000 1.079 423 T HN 0.065 nan 8.240 nan 0.000 0.516 424 E N 1.355 121.545 120.200 -0.017 0.000 2.156 424 E HA 0.472 4.822 4.350 0.001 0.000 0.279 424 E C -0.748 175.836 176.600 -0.027 0.000 0.965 424 E CA -0.500 55.889 56.400 -0.019 0.000 0.789 424 E CB 1.751 31.441 29.700 -0.016 0.000 1.098 424 E HN 0.572 nan 8.360 nan 0.000 0.397 425 L N 1.858 123.064 121.223 -0.028 0.000 2.341 425 L HA 0.399 4.739 4.340 0.001 0.000 0.278 425 L C 0.195 177.040 176.870 -0.042 0.000 1.005 425 L CA -0.716 54.100 54.840 -0.039 0.000 0.818 425 L CB 1.831 43.869 42.059 -0.036 0.000 1.259 425 L HN 0.424 nan 8.230 nan 0.000 0.418 426 E N 3.974 124.139 120.200 -0.057 0.000 2.101 426 E HA 0.405 4.756 4.350 0.001 0.000 0.260 426 E C -0.974 175.577 176.600 -0.082 0.000 0.897 426 E CA -0.500 55.866 56.400 -0.057 0.000 0.744 426 E CB 0.895 30.569 29.700 -0.044 0.000 1.140 426 E HN 0.475 nan 8.360 nan 0.000 0.419 427 I N 4.843 125.373 120.570 -0.066 0.000 2.352 427 I HA 0.223 4.393 4.170 0.001 0.000 0.290 427 I C -0.519 175.564 176.117 -0.057 0.000 1.036 427 I CA -0.652 60.611 61.300 -0.062 0.000 1.336 427 I CB 1.068 39.056 38.000 -0.019 0.000 1.407 427 I HN 0.274 nan 8.210 nan 0.000 0.497 428 V N 5.613 125.485 119.914 -0.070 0.000 2.789 428 V HA 0.507 4.628 4.120 0.001 0.000 0.311 428 V C -0.279 175.836 176.094 0.036 0.000 1.073 428 V CA -0.691 61.604 62.300 -0.007 0.000 0.921 428 V CB 1.938 33.726 31.823 -0.057 0.000 1.009 428 V HN 0.983 nan 8.190 nan 0.000 0.426 429 C N 2.863 122.201 119.300 0.062 0.000 2.712 429 C HA 1.010 5.471 4.460 0.001 0.000 0.308 429 C C -0.849 174.048 174.990 -0.156 0.000 1.201 429 C CA -0.933 58.035 59.018 -0.084 0.000 1.554 429 C CB 1.421 29.061 27.740 -0.166 0.000 2.117 429 C HN 1.108 nan 8.230 nan 0.000 0.480 430 K N 2.053 122.247 120.400 -0.343 0.000 2.523 430 K HA 0.842 5.163 4.320 0.001 0.000 0.257 430 K C -1.084 175.332 176.600 -0.307 0.000 0.932 430 K CA -0.318 55.768 56.287 -0.335 0.000 0.812 430 K CB 1.947 34.051 32.500 -0.660 0.000 1.326 430 K HN 1.247 nan 8.250 nan 0.000 0.433 431 A N 1.840 124.566 122.820 -0.157 0.000 2.350 431 A HA 0.785 5.105 4.320 0.001 0.000 0.318 431 A C -1.083 176.441 177.584 -0.099 0.000 1.132 431 A CA -0.853 51.102 52.037 -0.138 0.000 0.811 431 A CB 1.779 20.746 19.000 -0.054 0.000 1.313 431 A HN 0.410 nan 8.150 nan 0.000 0.454 432 V N 2.165 122.013 119.914 -0.109 0.000 2.638 432 V HA 0.409 4.529 4.120 0.001 0.000 0.306 432 V C -0.855 175.150 176.094 -0.147 0.000 1.052 432 V CA -0.643 61.596 62.300 -0.101 0.000 0.885 432 V CB 1.742 33.512 31.823 -0.089 0.000 0.999 432 V HN 1.118 nan 8.190 nan 0.000 0.424 433 D N 2.672 122.977 120.400 -0.159 0.000 2.478 433 D HA 0.239 4.879 4.640 0.001 0.000 0.263 433 D C 1.297 177.398 176.300 -0.331 0.000 1.153 433 D CA 0.058 53.934 54.000 -0.207 0.000 1.038 433 D CB 1.141 41.839 40.800 -0.171 0.000 1.120 433 D HN 0.421 nan 8.370 nan 0.000 0.564 434 S N -1.157 114.366 115.700 -0.295 0.000 2.474 434 S HA -0.132 4.338 4.470 0.001 0.000 0.235 434 S C 1.395 175.823 174.600 -0.286 0.000 0.997 434 S CA 0.766 58.763 58.200 -0.339 0.000 0.949 434 S CB -0.857 62.208 63.200 -0.226 0.000 0.766 434 S HN 0.542 nan 8.310 nan 0.000 0.517 435 S N -0.623 114.970 115.700 -0.177 0.000 2.614 435 S HA 0.277 4.748 4.470 0.001 0.000 0.230 435 S C -0.023 174.612 174.600 0.059 0.000 0.952 435 S CA -0.708 57.467 58.200 -0.043 0.000 0.949 435 S CB -1.053 62.133 63.200 -0.024 0.000 0.786 435 S HN 0.428 nan 8.310 nan 0.000 0.478 436 Y N 0.752 121.024 120.300 -0.047 0.000 3.825 436 Y HA -0.229 4.321 4.550 0.001 0.000 0.221 436 Y C 0.320 176.197 175.900 -0.039 0.000 1.195 436 Y CA 0.115 58.188 58.100 -0.045 0.000 1.699 436 Y CB -2.690 35.745 38.460 -0.042 0.000 1.531 436 Y HN 0.442 nan 8.280 nan 0.000 0.640 437 N N 0.555 119.273 118.700 0.030 0.000 2.508 437 N HA 0.517 5.257 4.740 0.001 0.000 0.264 437 N C 0.220 175.743 175.510 0.022 0.000 1.216 437 N CA 0.571 53.636 53.050 0.025 0.000 0.943 437 N CB 1.631 40.116 38.487 -0.003 0.000 1.113 437 N HN 0.191 nan 8.380 nan 0.000 0.447 438 V N -0.800 119.137 119.914 0.039 0.000 3.126 438 V HA 0.503 4.624 4.120 0.001 0.000 0.314 438 V C -0.419 175.726 176.094 0.085 0.000 1.138 438 V CA -1.025 61.305 62.300 0.049 0.000 1.034 438 V CB 1.884 33.739 31.823 0.054 0.000 1.075 438 V HN 0.486 nan 8.190 nan 0.000 0.442 439 Q N 2.246 122.135 119.800 0.147 0.000 2.235 439 Q HA 0.518 4.858 4.340 0.001 0.000 0.250 439 Q C -2.502 173.633 176.000 0.226 0.000 0.909 439 Q CA -1.809 54.118 55.803 0.207 0.000 0.910 439 Q CB 1.757 30.679 28.738 0.308 0.000 1.223 439 Q HN 0.685 nan 8.270 nan 0.000 0.432 440 P HA 0.045 nan 4.420 nan 0.000 0.274 440 P C -0.657 176.254 177.300 -0.648 0.000 1.231 440 P CA -0.170 62.836 63.100 -0.157 0.000 0.790 440 P CB 0.925 32.565 31.700 -0.100 0.000 0.951 441 D N -0.139 119.728 120.400 -0.889 0.000 2.097 441 D HA -0.084 4.557 4.640 0.001 0.000 0.195 441 D C 0.846 176.634 176.300 -0.853 0.000 0.989 441 D CA 1.653 54.699 54.000 -1.589 0.000 0.827 441 D CB -0.222 40.005 40.800 -0.954 0.000 0.966 441 D HN 0.490 nan 8.370 nan 0.000 0.456 442 S N -1.314 114.137 115.700 -0.416 0.000 2.599 442 S HA 0.475 4.945 4.470 0.001 0.000 0.287 442 S C 0.790 175.344 174.600 -0.077 0.000 1.105 442 S CA -0.900 57.185 58.200 -0.191 0.000 0.899 442 S CB 2.221 65.342 63.200 -0.131 0.000 1.100 442 S HN -0.118 nan 8.310 nan 0.000 0.482 443 V N 1.307 121.224 119.914 0.005 0.000 2.407 443 V HA 0.028 4.149 4.120 0.001 0.000 0.245 443 V C 2.985 179.149 176.094 0.118 0.000 1.041 443 V CA 1.724 64.069 62.300 0.075 0.000 1.040 443 V CB -1.793 30.104 31.823 0.123 0.000 0.671 443 V HN 1.035 nan 8.190 nan 0.000 0.455 444 A N 1.304 124.179 122.820 0.092 0.000 1.896 444 A HA -0.208 4.113 4.320 0.001 0.000 0.220 444 A C 0.593 178.247 177.584 0.116 0.000 1.206 444 A CA 2.617 54.711 52.037 0.095 0.000 0.647 444 A CB -2.122 16.888 19.000 0.016 0.000 0.828 444 A HN 0.578 nan 8.150 nan 0.000 0.455 445 P HA -0.024 nan 4.420 nan 0.000 0.230 445 P C 1.005 178.355 177.300 0.084 0.000 1.158 445 P CA 1.001 64.135 63.100 0.056 0.000 0.769 445 P CB -0.148 31.558 31.700 0.010 0.000 0.807 446 I N -7.671 112.962 120.570 0.106 0.000 4.025 446 I HA 0.357 4.528 4.170 0.001 0.000 0.336 446 I C 0.378 176.576 176.117 0.136 0.000 1.390 446 I CA -0.866 60.491 61.300 0.095 0.000 1.099 446 I CB -0.328 37.704 38.000 0.054 0.000 1.049 446 I HN -0.234 nan 8.210 nan 0.000 0.394 447 W N 4.751 126.063 121.300 0.019 0.000 2.209 447 W HA 0.195 4.855 4.660 -0.000 0.000 0.344 447 W C 0.005 176.542 176.519 0.030 0.000 1.285 447 W CA 0.816 58.179 57.345 0.030 0.000 1.267 447 W CB 0.439 29.914 29.460 0.024 0.000 1.167 447 W HN 0.509 nan 8.180 nan 0.000 0.574 448 N N 3.423 121.628 118.700 -0.826 0.000 2.591 448 N HA 0.234 4.974 4.740 0.001 0.000 0.263 448 N C 0.281 174.960 175.510 -1.386 0.000 1.308 448 N CA -0.640 51.955 53.050 -0.759 0.000 0.837 448 N CB 0.962 39.290 38.487 -0.266 0.000 1.548 448 N HN 0.507 nan 8.380 nan 0.000 0.493 449 L N -3.239 117.433 121.223 -0.918 0.000 2.353 449 L HA 0.200 4.540 4.340 0.001 0.000 0.220 449 L C 1.742 178.410 176.870 -0.337 0.000 1.133 449 L CA 1.197 55.619 54.840 -0.697 0.000 0.798 449 L CB -0.223 41.377 42.059 -0.766 0.000 0.922 449 L HN 0.580 nan 8.230 nan 0.000 0.445 450 R N 0.941 121.282 120.500 -0.264 0.000 2.334 450 R HA 0.240 4.581 4.340 0.001 0.000 0.212 450 R C 1.314 177.617 176.300 0.005 0.000 0.897 450 R CA 0.603 56.709 56.100 0.009 0.000 1.056 450 R CB -0.024 30.326 30.300 0.083 0.000 1.046 450 R HN 0.495 nan 8.270 nan 0.000 0.513 451 G N 0.502 109.205 108.800 -0.161 0.000 2.153 451 G HA2 -0.276 3.684 3.960 0.001 0.000 0.252 451 G HA3 -0.276 3.684 3.960 0.001 0.000 0.252 451 G C 0.169 175.080 174.900 0.019 0.000 0.994 451 G CA 0.531 45.577 45.100 -0.089 0.000 0.698 451 G HN 0.448 nan 8.290 nan 0.000 0.521 452 V N -2.594 117.334 119.914 0.024 0.000 3.134 452 V HA 0.793 4.914 4.120 0.001 0.000 0.313 452 V C 1.573 177.695 176.094 0.045 0.000 1.069 452 V CA -0.393 61.960 62.300 0.089 0.000 1.048 452 V CB 1.427 33.342 31.823 0.152 0.000 1.119 452 V HN 1.139 nan 8.190 nan 0.000 0.461 453 L N 0.132 121.396 121.223 0.069 0.000 3.533 453 L HA -0.137 4.204 4.340 0.001 0.000 0.477 453 L C 0.517 177.420 176.870 0.056 0.000 1.306 453 L CA 0.945 55.820 54.840 0.058 0.000 0.850 453 L CB -1.540 40.539 42.059 0.033 0.000 1.654 453 L HN 0.977 nan 8.230 nan 0.000 0.863 454 S N 0.140 115.882 115.700 0.071 0.000 2.464 454 S HA 0.492 4.962 4.470 0.001 0.000 0.313 454 S C 0.976 175.637 174.600 0.101 0.000 1.078 454 S CA 0.207 58.455 58.200 0.081 0.000 1.096 454 S CB 0.341 63.594 63.200 0.089 0.000 1.032 454 S HN 0.449 nan 8.310 nan 0.000 0.498 455 T N 1.232 115.848 114.554 0.103 0.000 3.231 455 T HA 0.544 4.895 4.350 0.001 0.000 0.292 455 T C 0.542 175.326 174.700 0.141 0.000 1.001 455 T CA -0.045 62.132 62.100 0.129 0.000 0.920 455 T CB 0.239 69.182 68.868 0.125 0.000 1.140 455 T HN 0.560 nan 8.240 nan 0.000 0.525 456 A N 1.175 124.063 122.820 0.115 0.000 2.386 456 A HA 0.493 4.814 4.320 0.001 0.000 0.246 456 A C 0.254 177.989 177.584 0.251 0.000 1.089 456 A CA -0.651 51.435 52.037 0.081 0.000 0.790 456 A CB -0.105 18.905 19.000 0.016 0.000 1.042 456 A HN 0.521 nan 8.150 nan 0.000 0.497 457 W N 0.650 122.023 121.300 0.123 0.000 2.293 457 W HA 0.075 4.736 4.660 0.002 0.000 0.342 457 W C 0.914 177.549 176.519 0.193 0.000 1.274 457 W CA 0.264 57.700 57.345 0.151 0.000 1.290 457 W CB -0.562 29.002 29.460 0.173 0.000 1.176 457 W HN 0.669 nan 8.180 nan 0.000 0.570 458 H N 3.969 123.220 119.070 0.303 0.000 2.620 458 H HA 0.330 4.887 4.556 0.001 0.000 0.313 458 H C -0.325 175.119 175.328 0.194 0.000 1.075 458 H CA -0.355 55.812 56.048 0.198 0.000 1.397 458 H CB 0.541 30.381 29.762 0.130 0.000 1.446 458 H HN 0.292 nan 8.280 nan 0.000 0.493 459 R N 4.282 124.737 120.500 -0.076 0.000 2.437 459 R HA 0.381 4.722 4.340 0.001 0.000 0.310 459 R C -1.223 174.928 176.300 -0.248 0.000 0.955 459 R CA -0.890 55.153 56.100 -0.096 0.000 0.851 459 R CB 2.249 32.578 30.300 0.048 0.000 1.161 459 R HN 0.258 nan 8.270 nan 0.000 0.446 460 V N 3.999 123.788 119.914 -0.208 0.000 2.444 460 V HA 0.421 4.541 4.120 0.001 0.000 0.294 460 V C -0.057 175.996 176.094 -0.068 0.000 1.022 460 V CA -0.871 61.335 62.300 -0.156 0.000 0.850 460 V CB 1.767 33.495 31.823 -0.159 0.000 0.992 460 V HN 0.663 nan 8.190 nan 0.000 0.426 461 R N 3.343 123.819 120.500 -0.040 0.000 2.294 461 R HA 0.784 5.124 4.340 0.001 0.000 0.319 461 R C -0.554 175.738 176.300 -0.014 0.000 0.984 461 R CA -0.382 55.704 56.100 -0.023 0.000 0.861 461 R CB 1.923 32.217 30.300 -0.011 0.000 1.104 461 R HN 0.688 nan 8.270 nan 0.000 0.451 462 V N -1.124 118.782 119.914 -0.014 0.000 3.165 462 V HA 0.780 4.900 4.120 0.001 0.000 0.309 462 V C -0.661 175.428 176.094 -0.009 0.000 1.267 462 V CA -0.913 61.382 62.300 -0.008 0.000 1.067 462 V CB 2.183 34.002 31.823 -0.007 0.000 1.082 462 V HN 0.807 nan 8.190 nan 0.000 0.451 463 S N -0.433 115.263 115.700 -0.006 0.000 2.570 463 S HA 0.838 5.309 4.470 0.001 0.000 0.286 463 S C -0.857 173.740 174.600 -0.006 0.000 1.099 463 S CA -0.715 57.481 58.200 -0.007 0.000 0.913 463 S CB 1.550 64.747 63.200 -0.004 0.000 1.085 463 S HN 1.379 nan 8.310 nan 0.000 0.480 464 V N 2.800 122.710 119.914 -0.007 0.000 2.432 464 V HA 0.322 4.443 4.120 0.001 0.000 0.275 464 V C 0.407 176.498 176.094 -0.005 0.000 1.043 464 V CA -0.605 61.691 62.300 -0.006 0.000 0.925 464 V CB 0.750 32.568 31.823 -0.008 0.000 0.985 464 V HN 0.938 nan 8.190 nan 0.000 0.466 465 Q N 2.806 122.604 119.800 -0.003 0.000 2.361 465 Q HA 0.096 4.436 4.340 0.001 0.000 0.276 465 Q C -0.045 175.954 176.000 -0.003 0.000 1.022 465 Q CA -0.013 55.788 55.803 -0.002 0.000 0.898 465 Q CB 0.576 29.314 28.738 -0.001 0.000 1.246 465 Q HN 0.652 nan 8.270 nan 0.000 0.410 466 D N 0.000 120.399 120.400 -0.002 0.000 6.856 466 D HA 0.000 4.641 4.640 0.001 0.000 0.175 466 D CA 0.000 53.998 54.000 -0.002 0.000 0.868 466 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683