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 3ah2_1_A DATA FIRST_RESID 4 DATA SEQUENCE TNANDLRNNE VFFISPSNNT NKVLDKISQS EVKLWNKLSG ANQKWRLIYD DATA SEQUENCE TNKQAYKIKV MDNTSLILTW NAPLSSVSVK TDTNGDNQYW YLLQNYISRN DATA SEQUENCE VIIRNYMNPN LVLQYNIDDT LMVSTQTSSS NQFFKFSNCI YEALNNRNCK DATA SEQUENCE LQTQLNSDRF LSKNLNSQII VLWQWFDSSR QKWIIEYNET KSAYTLKCQE DATA SEQUENCE NNRYLTWIQN SNNYVETYQS TDSLIQYWNI NYLDNDASKY ILYNLQDTNR DATA SEQUENCE VLDVYNSQIA NGTHVIVDSY HGNTNQQWII NLI 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.650 174.700 -0.083 0.000 1.109 4 T CA 0.000 62.062 62.100 -0.062 0.000 1.349 4 T CB 0.000 68.738 68.868 -0.217 0.000 0.612 5 N N 1.620 120.302 118.700 -0.031 0.000 2.270 5 N HA 0.308 5.045 4.740 -0.004 0.000 0.198 5 N C 1.656 177.114 175.510 -0.085 0.000 1.117 5 N CA 0.693 53.740 53.050 -0.005 0.000 0.845 5 N CB 0.194 38.727 38.487 0.076 0.000 0.980 5 N HN 0.598 nan 8.380 nan 0.000 0.486 6 A N 0.840 123.418 122.820 -0.403 0.000 2.070 6 A HA -0.076 4.241 4.320 -0.004 0.000 0.220 6 A C 1.496 178.873 177.584 -0.345 0.000 1.159 6 A CA 0.915 52.503 52.037 -0.748 0.000 0.656 6 A CB -0.341 17.514 19.000 -1.909 0.000 0.800 6 A HN 0.366 nan 8.150 nan 0.000 0.453 7 N N 0.847 119.441 118.700 -0.177 0.000 2.270 7 N HA 0.035 4.773 4.740 -0.004 0.000 0.198 7 N C -0.834 174.806 175.510 0.217 0.000 1.117 7 N CA 0.002 53.124 53.050 0.119 0.000 0.845 7 N CB 0.031 38.587 38.487 0.116 0.000 0.980 7 N HN 0.361 nan 8.380 nan 0.000 0.486 8 D N 0.663 121.133 120.400 0.116 0.000 2.419 8 D HA -0.008 4.630 4.640 -0.004 0.000 0.236 8 D C 0.958 177.343 176.300 0.141 0.000 1.165 8 D CA 0.186 54.241 54.000 0.090 0.000 0.882 8 D CB 1.196 42.042 40.800 0.076 0.000 1.201 8 D HN 0.065 nan 8.370 nan 0.000 0.443 9 L N 2.412 123.613 121.223 -0.036 0.000 2.650 9 L HA 0.099 4.437 4.340 -0.004 0.000 0.239 9 L C 1.001 177.917 176.870 0.076 0.000 1.412 9 L CA -0.000 54.730 54.840 -0.182 0.000 1.219 9 L CB -0.618 41.181 42.059 -0.433 0.000 1.534 9 L HN 0.001 nan 8.230 nan 0.000 0.430 10 R N 0.728 121.375 120.500 0.245 0.000 2.543 10 R HA 0.051 4.388 4.340 -0.004 0.000 0.277 10 R C 0.380 176.857 176.300 0.295 0.000 1.074 10 R CA -0.546 55.684 56.100 0.217 0.000 1.076 10 R CB 0.462 30.878 30.300 0.195 0.000 0.993 10 R HN 0.230 nan 8.270 nan 0.000 0.459 11 N N 1.643 120.464 118.700 0.202 0.000 2.407 11 N HA -0.143 4.595 4.740 -0.004 0.000 0.250 11 N C 0.228 175.857 175.510 0.199 0.000 1.236 11 N CA 0.585 53.777 53.050 0.235 0.000 0.879 11 N CB 0.343 38.908 38.487 0.130 0.000 1.088 11 N HN 0.636 nan 8.380 nan 0.000 0.450 12 N N -0.111 118.723 118.700 0.223 0.000 2.850 12 N HA -0.190 4.547 4.740 -0.004 0.000 0.249 12 N C -1.453 174.139 175.510 0.137 0.000 1.060 12 N CA 0.924 54.064 53.050 0.150 0.000 0.825 12 N CB -0.819 37.698 38.487 0.051 0.000 1.132 12 N HN 0.653 nan 8.380 nan 0.000 0.564 13 E N -0.449 119.870 120.200 0.198 0.000 2.227 13 E HA 0.540 4.887 4.350 -0.004 0.000 0.268 13 E C -0.168 176.432 176.600 -0.001 0.000 0.990 13 E CA -0.752 55.663 56.400 0.023 0.000 0.856 13 E CB 1.868 31.504 29.700 -0.106 0.000 1.159 13 E HN 0.034 nan 8.360 nan 0.000 0.401 14 V N 2.652 122.419 119.914 -0.245 0.000 2.459 14 V HA 0.474 4.592 4.120 -0.004 0.000 0.295 14 V C -0.704 175.171 176.094 -0.365 0.000 1.029 14 V CA -0.525 61.734 62.300 -0.068 0.000 0.874 14 V CB 0.632 32.534 31.823 0.132 0.000 0.985 14 V HN 0.462 nan 8.190 nan 0.000 0.438 15 F N 2.732 122.732 119.950 0.084 0.000 2.603 15 F HA 0.665 5.189 4.527 -0.005 0.000 0.317 15 F C -0.408 175.355 175.800 -0.061 0.000 1.066 15 F CA -0.809 57.216 58.000 0.042 0.000 0.941 15 F CB 1.704 40.822 39.000 0.197 0.000 1.291 15 F HN 0.265 nan 8.300 nan 0.000 0.472 16 F N 2.495 122.642 119.950 0.328 0.000 2.396 16 F HA 0.491 5.015 4.527 -0.004 0.000 0.343 16 F C 0.135 175.942 175.800 0.011 0.000 1.104 16 F CA -0.662 57.460 58.000 0.204 0.000 1.161 16 F CB 0.616 39.707 39.000 0.152 0.000 1.146 16 F HN 0.089 nan 8.300 nan 0.000 0.522 17 I N 2.774 123.356 120.570 0.020 0.000 2.382 17 I HA 0.293 4.461 4.170 -0.004 0.000 0.285 17 I C -0.433 175.608 176.117 -0.128 0.000 1.007 17 I CA -0.126 60.917 61.300 -0.428 0.000 1.142 17 I CB 1.149 38.635 38.000 -0.857 0.000 1.289 17 I HN 0.476 nan 8.210 nan 0.000 0.453 18 S N 7.462 123.144 115.700 -0.031 0.000 2.568 18 S HA 0.560 5.027 4.470 -0.004 0.000 0.302 18 S C -2.506 172.097 174.600 0.004 0.000 1.082 18 S CA -1.302 56.902 58.200 0.006 0.000 1.009 18 S CB 1.933 65.127 63.200 -0.010 0.000 1.069 18 S HN 0.380 nan 8.310 nan 0.000 0.500 19 P HA 0.110 nan 4.420 nan 0.000 0.271 19 P C 0.603 177.696 177.300 -0.345 0.000 1.218 19 P CA -0.160 62.480 63.100 -0.767 0.000 0.780 19 P CB 0.662 31.472 31.700 -1.484 0.000 0.901 20 S N 1.856 117.459 115.700 -0.161 0.000 2.442 20 S HA -0.180 4.287 4.470 -0.004 0.000 0.236 20 S C 1.335 175.937 174.600 0.003 0.000 1.007 20 S CA 1.159 59.363 58.200 0.008 0.000 0.965 20 S CB -1.106 62.174 63.200 0.133 0.000 0.773 20 S HN 0.605 nan 8.310 nan 0.000 0.504 21 N N 1.643 120.344 118.700 0.001 0.000 2.412 21 N HA 0.030 4.767 4.740 -0.004 0.000 0.184 21 N C -0.193 175.292 175.510 -0.043 0.000 1.101 21 N CA 0.236 53.297 53.050 0.018 0.000 0.881 21 N CB -0.488 38.063 38.487 0.107 0.000 0.969 21 N HN 0.413 nan 8.380 nan 0.000 0.459 22 N N -0.538 118.100 118.700 -0.102 0.000 2.699 22 N HA 0.022 4.759 4.740 -0.004 0.000 0.271 22 N C -0.497 174.953 175.510 -0.101 0.000 1.216 22 N CA -0.133 52.857 53.050 -0.099 0.000 0.844 22 N CB 1.115 39.531 38.487 -0.118 0.000 1.462 22 N HN -0.040 nan 8.380 nan 0.000 0.555 23 T N 1.184 115.698 114.554 -0.067 0.000 3.072 23 T HA -0.012 4.336 4.350 -0.004 0.000 0.266 23 T C 1.000 175.654 174.700 -0.077 0.000 1.127 23 T CA 1.220 63.288 62.100 -0.053 0.000 1.107 23 T CB -0.039 68.813 68.868 -0.026 0.000 0.910 23 T HN 0.404 nan 8.240 nan 0.000 0.513 24 N N 0.486 119.134 118.700 -0.087 0.000 2.270 24 N HA 0.174 4.911 4.740 -0.004 0.000 0.198 24 N C -0.302 175.142 175.510 -0.111 0.000 1.117 24 N CA 0.075 53.064 53.050 -0.103 0.000 0.845 24 N CB 0.296 38.727 38.487 -0.092 0.000 0.980 24 N HN 0.339 nan 8.380 nan 0.000 0.486 25 K N -0.091 120.247 120.400 -0.104 0.000 2.259 25 K HA 0.518 4.835 4.320 -0.004 0.000 0.249 25 K C -1.035 175.541 176.600 -0.041 0.000 0.942 25 K CA -0.990 55.248 56.287 -0.082 0.000 0.816 25 K CB 2.511 34.946 32.500 -0.108 0.000 1.155 25 K HN -0.103 nan 8.250 nan 0.000 0.428 26 V N -0.368 119.570 119.914 0.039 0.000 3.007 26 V HA 0.460 4.577 4.120 -0.004 0.000 0.311 26 V C -0.784 175.408 176.094 0.163 0.000 1.120 26 V CA -1.394 60.969 62.300 0.105 0.000 0.980 26 V CB 1.574 33.505 31.823 0.179 0.000 1.033 26 V HN 0.654 nan 8.190 nan 0.000 0.429 27 L N 2.928 124.225 121.223 0.123 0.000 2.513 27 L HA 0.469 4.806 4.340 -0.004 0.000 0.272 27 L C -0.232 176.881 176.870 0.404 0.000 1.187 27 L CA 1.228 56.129 54.840 0.101 0.000 0.895 27 L CB -0.106 41.767 42.059 -0.311 0.000 1.147 27 L HN 1.005 nan 8.230 nan 0.000 0.483 28 D N 4.716 125.325 120.400 0.349 0.000 2.696 28 D HA 0.148 4.785 4.640 -0.004 0.000 0.251 28 D C -0.918 175.544 176.300 0.270 0.000 1.188 28 D CA -0.589 53.603 54.000 0.321 0.000 0.876 28 D CB 1.327 42.263 40.800 0.226 0.000 1.334 28 D HN 0.558 nan 8.370 nan 0.000 0.540 29 K N 4.917 125.465 120.400 0.247 0.000 2.278 29 K HA 0.143 4.460 4.320 -0.004 0.000 0.289 29 K C 1.473 178.066 176.600 -0.010 0.000 1.080 29 K CA -0.231 56.131 56.287 0.125 0.000 0.934 29 K CB 0.037 32.544 32.500 0.011 0.000 1.093 29 K HN 0.558 nan 8.250 nan 0.000 0.459 30 I N 0.319 120.868 120.570 -0.035 0.000 2.876 30 I HA -0.006 4.162 4.170 -0.004 0.000 0.264 30 I C 0.617 176.669 176.117 -0.108 0.000 1.204 30 I CA -0.077 61.140 61.300 -0.138 0.000 1.485 30 I CB 0.110 37.984 38.000 -0.209 0.000 1.103 30 I HN 0.423 nan 8.210 nan 0.000 0.446 31 S N -0.749 114.918 115.700 -0.055 0.000 2.903 31 S HA 0.361 4.828 4.470 -0.004 0.000 0.314 31 S C 0.471 175.056 174.600 -0.026 0.000 1.177 31 S CA -0.631 57.542 58.200 -0.045 0.000 0.859 31 S CB 1.199 64.379 63.200 -0.033 0.000 1.265 31 S HN 0.041 nan 8.310 nan 0.000 0.584 32 Q N 0.667 120.455 119.800 -0.020 0.000 2.369 32 Q HA 0.112 4.450 4.340 -0.004 0.000 0.206 32 Q C 1.705 177.710 176.000 0.008 0.000 0.963 32 Q CA 1.641 57.437 55.803 -0.012 0.000 0.894 32 Q CB -0.086 28.644 28.738 -0.014 0.000 0.965 32 Q HN 0.831 nan 8.270 nan 0.000 0.475 33 S N -2.386 113.325 115.700 0.018 0.000 2.648 33 S HA 0.186 4.653 4.470 -0.004 0.000 0.270 33 S C 0.300 174.934 174.600 0.057 0.000 1.082 33 S CA -0.485 57.738 58.200 0.039 0.000 1.116 33 S CB 0.776 63.994 63.200 0.031 0.000 1.040 33 S HN -0.044 nan 8.310 nan 0.000 0.572 34 E N 2.414 122.641 120.200 0.046 0.000 2.204 34 E HA 0.603 4.950 4.350 -0.004 0.000 0.276 34 E C -0.310 176.336 176.600 0.076 0.000 0.974 34 E CA -0.626 55.808 56.400 0.057 0.000 0.815 34 E CB 2.126 31.849 29.700 0.037 0.000 1.119 34 E HN 0.388 nan 8.360 nan 0.000 0.393 35 V N -0.919 119.051 119.914 0.093 0.000 2.815 35 V HA 0.797 4.914 4.120 -0.004 0.000 0.314 35 V C -0.248 175.906 176.094 0.100 0.000 1.064 35 V CA -0.805 61.563 62.300 0.113 0.000 0.952 35 V CB 2.033 33.916 31.823 0.100 0.000 1.020 35 V HN 0.621 nan 8.190 nan 0.000 0.439 36 K N 2.489 122.965 120.400 0.127 0.000 2.568 36 K HA 0.593 4.910 4.320 -0.004 0.000 0.273 36 K C -1.612 175.116 176.600 0.213 0.000 0.951 36 K CA -0.914 55.472 56.287 0.166 0.000 0.854 36 K CB 2.392 35.004 32.500 0.185 0.000 1.424 36 K HN 0.869 nan 8.250 nan 0.000 0.427 37 L N 2.926 124.275 121.223 0.210 0.000 2.380 37 L HA 0.353 4.690 4.340 -0.004 0.000 0.273 37 L C -0.318 176.744 176.870 0.320 0.000 1.138 37 L CA -0.127 54.829 54.840 0.193 0.000 0.832 37 L CB 0.533 42.643 42.059 0.085 0.000 1.124 37 L HN 0.548 nan 8.230 nan 0.000 0.454 38 W N 3.176 124.490 121.300 0.023 0.000 3.167 38 W HA 0.180 4.839 4.660 -0.001 0.000 0.324 38 W C -0.474 176.044 176.519 -0.002 0.000 1.230 38 W CA -0.954 56.402 57.345 0.019 0.000 1.184 38 W CB 1.860 31.343 29.460 0.037 0.000 1.414 38 W HN 0.465 nan 8.180 nan 0.000 0.551 39 N N 3.629 122.060 118.700 -0.449 0.000 2.219 39 N HA -0.159 4.579 4.740 -0.004 0.000 0.263 39 N C -0.169 175.350 175.510 0.015 0.000 1.269 39 N CA 1.067 53.970 53.050 -0.245 0.000 0.831 39 N CB 0.603 38.870 38.487 -0.368 0.000 1.059 39 N HN 0.284 nan 8.380 nan 0.000 0.475 40 K N 3.724 124.101 120.400 -0.040 0.000 2.412 40 K HA 0.050 4.368 4.320 -0.004 0.000 0.284 40 K C 0.263 176.854 176.600 -0.015 0.000 1.046 40 K CA 0.274 56.526 56.287 -0.059 0.000 0.999 40 K CB 0.226 32.602 32.500 -0.207 0.000 0.941 40 K HN 0.636 nan 8.250 nan 0.000 0.474 41 L N 2.593 123.846 121.223 0.049 0.000 3.039 41 L HA 0.060 4.398 4.340 -0.004 0.000 0.269 41 L C 0.599 177.521 176.870 0.087 0.000 1.169 41 L CA -0.238 54.648 54.840 0.076 0.000 0.986 41 L CB 0.566 42.704 42.059 0.132 0.000 1.377 41 L HN 0.834 nan 8.230 nan 0.000 0.575 42 S N 1.129 116.910 115.700 0.134 0.000 3.533 42 S HA -0.164 4.304 4.470 -0.004 0.000 0.347 42 S C 0.827 175.518 174.600 0.152 0.000 1.101 42 S CA 0.432 58.795 58.200 0.272 0.000 1.009 42 S CB -1.230 62.140 63.200 0.283 0.000 0.916 42 S HN 0.605 nan 8.310 nan 0.000 0.496 43 G N -0.147 108.712 108.800 0.098 0.000 2.572 43 G HA2 0.577 4.535 3.960 -0.004 0.000 0.261 43 G HA3 0.577 4.535 3.960 -0.004 0.000 0.261 43 G C 1.022 175.902 174.900 -0.034 0.000 1.197 43 G CA -0.047 45.061 45.100 0.014 0.000 0.870 43 G HN 0.960 nan 8.290 nan 0.000 0.548 44 A N 0.705 123.452 122.820 -0.122 0.000 2.119 44 A HA -0.056 4.261 4.320 -0.004 0.000 0.217 44 A C 2.067 179.487 177.584 -0.274 0.000 1.153 44 A CA 1.372 53.275 52.037 -0.222 0.000 0.692 44 A CB -0.341 18.504 19.000 -0.259 0.000 0.799 44 A HN 0.730 nan 8.150 nan 0.000 0.458 45 N N -0.077 118.497 118.700 -0.210 0.000 2.571 45 N HA -0.131 4.607 4.740 -0.004 0.000 0.189 45 N C 0.885 176.265 175.510 -0.217 0.000 1.154 45 N CA 0.787 53.686 53.050 -0.252 0.000 0.907 45 N CB -0.327 38.067 38.487 -0.155 0.000 0.977 45 N HN 0.665 nan 8.380 nan 0.000 0.449 46 Q N -0.309 119.435 119.800 -0.093 0.000 2.198 46 Q HA 0.242 4.579 4.340 -0.004 0.000 0.209 46 Q C -0.435 175.620 176.000 0.091 0.000 0.848 46 Q CA 0.049 55.941 55.803 0.148 0.000 0.974 46 Q CB 0.698 29.627 28.738 0.318 0.000 1.115 46 Q HN 0.308 nan 8.270 nan 0.000 0.494 47 K N 0.249 120.433 120.400 -0.361 0.000 2.324 47 K HA 0.422 4.739 4.320 -0.004 0.000 0.253 47 K C -1.520 174.716 176.600 -0.606 0.000 0.932 47 K CA -0.464 55.611 56.287 -0.353 0.000 0.799 47 K CB 1.443 33.731 32.500 -0.352 0.000 1.154 47 K HN -0.072 nan 8.250 nan 0.000 0.425 48 W N 2.108 123.401 121.300 -0.012 0.000 2.715 48 W HA 0.395 5.051 4.660 -0.007 0.000 0.331 48 W C -0.185 176.424 176.519 0.151 0.000 1.031 48 W CA -0.722 56.654 57.345 0.052 0.000 1.237 48 W CB 1.309 30.786 29.460 0.028 0.000 1.378 48 W HN 0.309 nan 8.180 nan 0.000 0.454 49 R N 3.401 124.083 120.500 0.304 0.000 2.297 49 R HA 0.547 4.884 4.340 -0.004 0.000 0.308 49 R C -0.591 175.925 176.300 0.359 0.000 1.029 49 R CA -0.487 55.793 56.100 0.300 0.000 0.929 49 R CB 0.673 31.087 30.300 0.191 0.000 1.046 49 R HN 0.631 nan 8.270 nan 0.000 0.461 50 L N 5.935 127.411 121.223 0.421 0.000 2.305 50 L HA 0.353 4.690 4.340 -0.004 0.000 0.281 50 L C -0.512 176.603 176.870 0.408 0.000 1.085 50 L CA -0.618 54.479 54.840 0.429 0.000 0.813 50 L CB 1.189 43.511 42.059 0.439 0.000 1.157 50 L HN 0.568 nan 8.230 nan 0.000 0.436 51 I N 3.768 124.579 120.570 0.401 0.000 2.420 51 I HA 0.216 4.384 4.170 -0.004 0.000 0.282 51 I C -0.500 175.801 176.117 0.307 0.000 1.019 51 I CA -0.290 61.188 61.300 0.298 0.000 1.130 51 I CB 1.111 39.226 38.000 0.191 0.000 1.262 51 I HN 0.294 nan 8.210 nan 0.000 0.454 52 Y N 5.544 125.878 120.300 0.056 0.000 2.304 52 Y HA 0.368 4.916 4.550 -0.004 0.000 0.328 52 Y C 0.037 175.874 175.900 -0.104 0.000 1.123 52 Y CA -0.337 57.632 58.100 -0.219 0.000 1.218 52 Y CB 0.799 39.023 38.460 -0.393 0.000 1.207 52 Y HN 0.527 nan 8.280 nan 0.000 0.495 53 D N 4.075 124.120 120.400 -0.592 0.000 2.427 53 D HA 0.148 4.785 4.640 -0.004 0.000 0.226 53 D C 0.280 176.073 176.300 -0.844 0.000 1.076 53 D CA -0.104 53.601 54.000 -0.491 0.000 0.849 53 D CB 1.639 42.243 40.800 -0.326 0.000 1.052 53 D HN 0.779 nan 8.370 nan 0.000 0.515 54 T N 2.903 117.130 114.554 -0.544 0.000 2.821 54 T HA -0.147 4.200 4.350 -0.004 0.000 0.267 54 T C 1.643 176.182 174.700 -0.267 0.000 1.046 54 T CA 1.115 62.987 62.100 -0.381 0.000 1.139 54 T CB -0.097 68.735 68.868 -0.060 0.000 0.871 54 T HN 0.492 nan 8.240 nan 0.000 0.454 55 N N 0.912 119.468 118.700 -0.239 0.000 2.104 55 N HA -0.108 4.629 4.740 -0.004 0.000 0.190 55 N C 1.673 177.062 175.510 -0.202 0.000 1.024 55 N CA 1.312 54.253 53.050 -0.181 0.000 0.853 55 N CB 0.001 38.385 38.487 -0.173 0.000 1.008 55 N HN 0.309 nan 8.380 nan 0.000 0.424 56 K N -0.244 119.937 120.400 -0.364 0.000 2.361 56 K HA 0.100 4.418 4.320 -0.004 0.000 0.196 56 K C -0.068 176.433 176.600 -0.165 0.000 1.039 56 K CA 0.250 56.305 56.287 -0.387 0.000 1.001 56 K CB 0.273 32.175 32.500 -0.998 0.000 0.795 56 K HN 0.231 nan 8.250 nan 0.000 0.495 57 Q N -0.877 118.749 119.800 -0.291 0.000 2.475 57 Q HA -0.214 4.123 4.340 -0.004 0.000 0.280 57 Q C -0.747 175.290 176.000 0.061 0.000 1.234 57 Q CA 0.375 56.113 55.803 -0.108 0.000 0.873 57 Q CB -1.586 27.270 28.738 0.196 0.000 1.256 57 Q HN 0.415 nan 8.270 nan 0.000 0.475 58 A N -0.391 122.241 122.820 -0.313 0.000 2.566 58 A HA 0.847 5.165 4.320 -0.004 0.000 0.292 58 A C -1.498 176.066 177.584 -0.034 0.000 1.112 58 A CA -0.627 51.372 52.037 -0.062 0.000 0.707 58 A CB 1.250 20.042 19.000 -0.346 0.000 1.302 58 A HN 0.216 nan 8.150 nan 0.000 0.409 59 Y N 0.479 120.917 120.300 0.230 0.000 2.509 59 Y HA 0.519 5.065 4.550 -0.005 0.000 0.341 59 Y C 0.432 176.485 175.900 0.256 0.000 1.038 59 Y CA -0.694 57.575 58.100 0.282 0.000 1.089 59 Y CB 2.037 40.675 38.460 0.296 0.000 1.241 59 Y HN 0.581 nan 8.280 nan 0.000 0.468 60 K N 2.558 123.146 120.400 0.314 0.000 2.118 60 K HA 0.571 4.889 4.320 -0.004 0.000 0.264 60 K C -1.101 175.667 176.600 0.280 0.000 1.000 60 K CA -0.426 55.964 56.287 0.172 0.000 0.929 60 K CB 1.107 33.601 32.500 -0.010 0.000 1.021 60 K HN 0.521 nan 8.250 nan 0.000 0.463 61 I N 2.726 123.447 120.570 0.251 0.000 2.437 61 I HA 0.206 4.374 4.170 -0.004 0.000 0.279 61 I C -0.452 175.881 176.117 0.360 0.000 1.028 61 I CA -0.572 60.875 61.300 0.244 0.000 1.142 61 I CB 1.290 39.296 38.000 0.009 0.000 1.266 61 I HN 0.377 nan 8.210 nan 0.000 0.461 62 K N 6.133 126.755 120.400 0.370 0.000 2.235 62 K HA 0.462 4.779 4.320 -0.004 0.000 0.266 62 K C -0.709 175.993 176.600 0.170 0.000 0.980 62 K CA -0.519 55.929 56.287 0.268 0.000 0.849 62 K CB 2.381 34.970 32.500 0.147 0.000 1.098 62 K HN 0.361 nan 8.250 nan 0.000 0.445 63 V N 5.189 125.058 119.914 -0.076 0.000 2.963 63 V HA 0.008 4.126 4.120 -0.004 0.000 0.306 63 V C 0.732 176.589 176.094 -0.394 0.000 1.077 63 V CA 0.315 62.196 62.300 -0.699 0.000 1.124 63 V CB 0.865 32.194 31.823 -0.824 0.000 0.987 63 V HN 0.880 nan 8.190 nan 0.000 0.487 64 M N 4.144 123.461 119.600 -0.472 0.000 2.560 64 M HA 0.200 4.678 4.480 -0.004 0.000 0.297 64 M C 0.800 176.927 176.300 -0.289 0.000 1.201 64 M CA -0.007 55.106 55.300 -0.312 0.000 0.973 64 M CB -0.561 31.848 32.600 -0.319 0.000 1.401 64 M HN 0.891 nan 8.290 nan 0.000 0.497 65 D N -0.525 119.707 120.400 -0.280 0.000 2.328 65 D HA 0.003 4.641 4.640 -0.004 0.000 0.226 65 D C 0.268 176.474 176.300 -0.156 0.000 1.066 65 D CA 0.218 54.089 54.000 -0.216 0.000 0.861 65 D CB 0.056 40.729 40.800 -0.212 0.000 0.912 65 D HN 0.218 nan 8.370 nan 0.000 0.521 66 N N -1.054 117.562 118.700 -0.140 0.000 2.938 66 N HA -0.199 4.538 4.740 -0.004 0.000 0.195 66 N C 1.251 176.715 175.510 -0.076 0.000 0.990 66 N CA 1.726 54.718 53.050 -0.097 0.000 1.020 66 N CB -2.048 36.388 38.487 -0.086 0.000 0.986 66 N HN 0.495 nan 8.380 nan 0.000 0.575 67 T N -2.482 112.022 114.554 -0.084 0.000 2.995 67 T HA 0.109 4.457 4.350 -0.004 0.000 0.269 67 T C 1.034 175.710 174.700 -0.041 0.000 1.091 67 T CA 1.544 63.609 62.100 -0.059 0.000 1.128 67 T CB -0.138 68.695 68.868 -0.059 0.000 0.891 67 T HN 0.358 nan 8.240 nan 0.000 0.492 68 S N 0.266 115.938 115.700 -0.048 0.000 3.261 68 S HA -0.126 4.341 4.470 -0.004 0.000 0.287 68 S C 0.254 174.858 174.600 0.006 0.000 1.281 68 S CA 0.511 58.700 58.200 -0.019 0.000 1.053 68 S CB -2.410 60.787 63.200 -0.005 0.000 1.251 68 S HN 0.705 nan 8.310 nan 0.000 0.659 69 L N 1.748 122.974 121.223 0.004 0.000 2.436 69 L HA 0.579 4.917 4.340 -0.004 0.000 0.265 69 L C 0.718 177.655 176.870 0.110 0.000 1.168 69 L CA -0.291 54.577 54.840 0.047 0.000 0.815 69 L CB 0.359 42.445 42.059 0.046 0.000 1.109 69 L HN 0.432 nan 8.230 nan 0.000 0.462 70 I N -0.105 120.548 120.570 0.138 0.000 2.646 70 I HA 0.408 4.575 4.170 -0.004 0.000 0.299 70 I C -0.581 175.676 176.117 0.233 0.000 1.036 70 I CA -1.203 60.216 61.300 0.198 0.000 1.074 70 I CB 2.006 40.079 38.000 0.123 0.000 1.258 70 I HN 0.316 nan 8.210 nan 0.000 0.430 71 L N 4.073 125.450 121.223 0.257 0.000 2.513 71 L HA 0.318 4.656 4.340 -0.004 0.000 0.272 71 L C -0.308 176.832 176.870 0.450 0.000 1.187 71 L CA 1.518 56.477 54.840 0.197 0.000 0.895 71 L CB 0.368 42.328 42.059 -0.164 0.000 1.147 71 L HN 0.816 nan 8.230 nan 0.000 0.483 72 T N 4.695 119.494 114.554 0.407 0.000 2.921 72 T HA 0.215 4.562 4.350 -0.004 0.000 0.297 72 T C -1.460 173.525 174.700 0.476 0.000 1.013 72 T CA -0.292 62.042 62.100 0.391 0.000 0.990 72 T CB 0.700 69.682 68.868 0.190 0.000 1.023 72 T HN 0.578 nan 8.240 nan 0.000 0.447 73 W N 3.860 125.306 121.300 0.244 0.000 2.335 73 W HA 0.366 5.027 4.660 0.003 0.000 0.306 73 W C -0.292 176.277 176.519 0.082 0.000 1.216 73 W CA -1.293 56.155 57.345 0.173 0.000 1.237 73 W CB -0.257 29.221 29.460 0.031 0.000 1.243 73 W HN 0.639 nan 8.180 nan 0.000 0.493 74 N N 5.532 124.189 118.700 -0.071 0.000 3.243 74 N HA 0.308 5.045 4.740 -0.004 0.000 0.310 74 N C 0.166 175.324 175.510 -0.585 0.000 1.313 74 N CA -0.379 52.524 53.050 -0.244 0.000 1.204 74 N CB 0.148 38.615 38.487 -0.033 0.000 1.483 74 N HN 0.525 nan 8.380 nan 0.000 0.553 75 A N 1.928 123.966 122.820 -1.302 0.000 2.587 75 A HA 0.007 4.325 4.320 -0.004 0.000 0.235 75 A C -0.687 176.580 177.584 -0.528 0.000 1.044 75 A CA -0.608 50.623 52.037 -1.344 0.000 0.754 75 A CB 0.142 18.142 19.000 -1.667 0.000 0.968 75 A HN 0.372 nan 8.150 nan 0.000 0.509 76 P HA 0.157 nan 4.420 nan 0.000 0.255 76 P C 0.136 177.470 177.300 0.057 0.000 1.248 76 P CA 0.069 63.088 63.100 -0.136 0.000 0.807 76 P CB -0.020 31.658 31.700 -0.037 0.000 1.150 77 L N 0.459 121.688 121.223 0.010 0.000 2.456 77 L HA 0.093 4.430 4.340 -0.004 0.000 0.246 77 L C 1.940 179.013 176.870 0.338 0.000 1.238 77 L CA 0.199 55.115 54.840 0.127 0.000 0.826 77 L CB -0.095 42.004 42.059 0.065 0.000 1.150 77 L HN -0.074 nan 8.230 nan 0.000 0.514 78 S N -2.211 113.651 115.700 0.270 0.000 2.575 78 S HA 0.039 4.506 4.470 -0.004 0.000 0.215 78 S C 0.656 175.431 174.600 0.293 0.000 0.966 78 S CA -0.163 58.214 58.200 0.294 0.000 0.911 78 S CB -0.207 63.092 63.200 0.164 0.000 0.780 78 S HN 0.668 nan 8.310 nan 0.000 0.514 79 S N 1.703 117.559 115.700 0.261 0.000 2.617 79 S HA 0.653 5.120 4.470 -0.004 0.000 0.269 79 S C 0.081 174.862 174.600 0.301 0.000 1.292 79 S CA -0.278 58.053 58.200 0.218 0.000 1.010 79 S CB 1.124 64.408 63.200 0.141 0.000 0.944 79 S HN 0.891 nan 8.310 nan 0.000 0.536 80 V N -1.061 118.995 119.914 0.238 0.000 2.960 80 V HA 0.994 5.112 4.120 -0.004 0.000 0.315 80 V C -0.148 176.045 176.094 0.164 0.000 1.087 80 V CA -0.323 62.127 62.300 0.251 0.000 0.982 80 V CB 1.128 33.084 31.823 0.222 0.000 1.039 80 V HN 1.420 nan 8.190 nan 0.000 0.437 81 S N 0.849 116.646 115.700 0.163 0.000 2.672 81 S HA 0.815 5.282 4.470 -0.004 0.000 0.271 81 S C -0.682 174.004 174.600 0.143 0.000 1.171 81 S CA -0.216 58.060 58.200 0.126 0.000 0.817 81 S CB 1.296 64.556 63.200 0.100 0.000 1.150 81 S HN 2.241 nan 8.310 nan 0.000 0.478 82 V N -0.686 119.312 119.914 0.139 0.000 2.427 82 V HA 0.818 4.936 4.120 -0.004 0.000 0.286 82 V C -0.616 175.541 176.094 0.105 0.000 1.034 82 V CA -0.513 61.880 62.300 0.156 0.000 0.893 82 V CB 0.508 32.450 31.823 0.198 0.000 0.982 82 V HN 0.970 nan 8.190 nan 0.000 0.452 83 K N 1.961 122.420 120.400 0.098 0.000 2.482 83 K HA 0.560 4.878 4.320 -0.004 0.000 0.257 83 K C -0.349 176.280 176.600 0.048 0.000 0.969 83 K CA -0.875 55.448 56.287 0.061 0.000 0.842 83 K CB 2.290 34.820 32.500 0.050 0.000 1.359 83 K HN 0.770 nan 8.250 nan 0.000 0.441 84 T N 1.647 116.218 114.554 0.028 0.000 2.923 84 T HA -0.106 4.241 4.350 -0.004 0.000 0.304 84 T C -0.111 174.598 174.700 0.015 0.000 1.044 84 T CA 0.444 62.555 62.100 0.018 0.000 1.141 84 T CB 0.036 68.910 68.868 0.010 0.000 1.023 84 T HN 0.421 nan 8.240 nan 0.000 0.533 85 D N 2.489 122.895 120.400 0.011 0.000 2.346 85 D HA 0.069 4.707 4.640 -0.004 0.000 0.260 85 D C 1.064 177.363 176.300 -0.003 0.000 1.252 85 D CA -0.125 53.873 54.000 -0.005 0.000 0.895 85 D CB 0.405 41.201 40.800 -0.007 0.000 1.097 85 D HN 0.613 nan 8.370 nan 0.000 0.489 86 T N 0.193 114.743 114.554 -0.006 0.000 3.228 86 T HA 0.135 4.483 4.350 -0.004 0.000 0.278 86 T C 0.446 175.156 174.700 0.016 0.000 1.014 86 T CA -0.647 61.456 62.100 0.005 0.000 0.904 86 T CB -0.303 68.567 68.868 0.003 0.000 1.110 86 T HN 0.473 nan 8.240 nan 0.000 0.541 87 N N 1.075 119.781 118.700 0.009 0.000 2.725 87 N HA -0.112 4.625 4.740 -0.004 0.000 0.249 87 N C 0.503 176.096 175.510 0.139 0.000 1.103 87 N CA 0.915 54.010 53.050 0.075 0.000 0.707 87 N CB -1.368 37.179 38.487 0.101 0.000 1.043 87 N HN 0.805 nan 8.380 nan 0.000 0.553 88 G N 0.002 108.843 108.800 0.068 0.000 2.442 88 G HA2 0.194 4.151 3.960 -0.004 0.000 0.249 88 G HA3 0.194 4.151 3.960 -0.004 0.000 0.249 88 G C 0.883 175.890 174.900 0.178 0.000 1.263 88 G CA -0.236 44.913 45.100 0.082 0.000 0.846 88 G HN 0.008 nan 8.290 nan 0.000 0.555 89 D N 0.619 121.133 120.400 0.190 0.000 2.221 89 D HA -0.156 4.482 4.640 -0.004 0.000 0.204 89 D C 2.250 178.690 176.300 0.234 0.000 0.982 89 D CA 1.234 55.411 54.000 0.295 0.000 0.857 89 D CB 0.157 41.115 40.800 0.263 0.000 0.934 89 D HN 0.599 nan 8.370 nan 0.000 0.475 90 N N 0.379 119.140 118.700 0.101 0.000 2.550 90 N HA -0.133 4.604 4.740 -0.004 0.000 0.186 90 N C 0.896 176.349 175.510 -0.094 0.000 1.110 90 N CA 0.394 53.473 53.050 0.047 0.000 0.912 90 N CB -0.222 38.246 38.487 -0.033 0.000 0.968 90 N HN 0.311 nan 8.380 nan 0.000 0.448 91 Q N -0.783 118.966 119.800 -0.086 0.000 2.247 91 Q HA 0.174 4.511 4.340 -0.004 0.000 0.204 91 Q C -0.642 175.150 176.000 -0.346 0.000 0.872 91 Q CA -0.042 55.672 55.803 -0.148 0.000 0.951 91 Q CB 0.327 28.974 28.738 -0.151 0.000 1.099 91 Q HN 0.382 nan 8.270 nan 0.000 0.501 92 Y N -0.806 119.307 120.300 -0.312 0.000 2.446 92 Y HA 0.394 4.942 4.550 -0.004 0.000 0.338 92 Y C -0.789 174.795 175.900 -0.527 0.000 1.055 92 Y CA -0.909 57.023 58.100 -0.280 0.000 1.101 92 Y CB 1.221 39.443 38.460 -0.396 0.000 1.221 92 Y HN -0.028 nan 8.280 nan 0.000 0.460 93 W N 1.674 123.060 121.300 0.145 0.000 2.957 93 W HA 0.475 5.131 4.660 -0.007 0.000 0.336 93 W C -1.658 174.943 176.519 0.137 0.000 1.087 93 W CA -1.053 56.349 57.345 0.096 0.000 1.235 93 W CB 0.756 30.269 29.460 0.088 0.000 1.399 93 W HN 0.305 nan 8.180 nan 0.000 0.480 94 Y N 3.006 123.584 120.300 0.464 0.000 2.377 94 Y HA 0.393 4.941 4.550 -0.002 0.000 0.330 94 Y C 0.479 176.567 175.900 0.313 0.000 1.108 94 Y CA -0.397 57.939 58.100 0.393 0.000 1.308 94 Y CB 0.416 39.042 38.460 0.278 0.000 1.216 94 Y HN 0.088 nan 8.280 nan 0.000 0.518 95 L N 5.807 127.280 121.223 0.416 0.000 2.295 95 L HA 0.476 4.813 4.340 -0.004 0.000 0.281 95 L C -0.963 175.968 176.870 0.102 0.000 1.018 95 L CA -0.314 54.568 54.840 0.070 0.000 0.841 95 L CB 0.667 42.471 42.059 -0.426 0.000 1.218 95 L HN 0.468 nan 8.230 nan 0.000 0.424 96 L N 3.819 125.104 121.223 0.103 0.000 2.356 96 L HA 0.531 4.868 4.340 -0.004 0.000 0.277 96 L C -0.430 176.476 176.870 0.061 0.000 0.996 96 L CA -0.362 54.534 54.840 0.094 0.000 0.822 96 L CB 2.231 44.358 42.059 0.115 0.000 1.256 96 L HN 0.598 nan 8.230 nan 0.000 0.413 97 Q N 2.588 122.406 119.800 0.030 0.000 2.309 97 Q HA 0.281 4.618 4.340 -0.004 0.000 0.264 97 Q C -0.731 175.289 176.000 0.032 0.000 1.008 97 Q CA -0.772 55.038 55.803 0.012 0.000 0.853 97 Q CB 2.112 30.832 28.738 -0.029 0.000 1.314 97 Q HN 0.511 nan 8.270 nan 0.000 0.448 98 N N 2.735 121.432 118.700 -0.005 0.000 2.411 98 N HA -0.043 4.695 4.740 -0.004 0.000 0.259 98 N C 0.066 175.578 175.510 0.004 0.000 1.103 98 N CA 0.295 53.336 53.050 -0.014 0.000 0.954 98 N CB 0.562 38.978 38.487 -0.118 0.000 1.085 98 N HN 0.735 nan 8.380 nan 0.000 0.485 99 Y N 5.188 125.461 120.300 -0.045 0.000 2.224 99 Y HA -0.086 4.462 4.550 -0.004 0.000 0.289 99 Y C 1.577 177.454 175.900 -0.039 0.000 1.146 99 Y CA 1.639 59.716 58.100 -0.037 0.000 1.182 99 Y CB 0.127 38.571 38.460 -0.027 0.000 0.983 99 Y HN 0.647 nan 8.280 nan 0.000 0.524 100 I N -0.925 119.575 120.570 -0.117 0.000 2.429 100 I HA -0.187 3.980 4.170 -0.004 0.000 0.247 100 I C 2.538 178.550 176.117 -0.177 0.000 1.099 100 I CA 1.212 62.409 61.300 -0.171 0.000 1.422 100 I CB -0.553 37.431 38.000 -0.027 0.000 1.112 100 I HN 0.247 nan 8.210 nan 0.000 0.430 101 S N 0.406 116.017 115.700 -0.149 0.000 2.461 101 S HA -0.085 4.383 4.470 -0.004 0.000 0.228 101 S C 1.308 175.814 174.600 -0.156 0.000 1.005 101 S CA 0.127 58.231 58.200 -0.161 0.000 0.942 101 S CB 0.078 63.147 63.200 -0.219 0.000 0.776 101 S HN 0.346 nan 8.310 nan 0.000 0.514 102 R N -0.141 120.263 120.500 -0.160 0.000 3.922 102 R HA -0.098 4.239 4.340 -0.004 0.000 0.447 102 R C -1.037 175.221 176.300 -0.070 0.000 1.035 102 R CA 0.974 57.005 56.100 -0.115 0.000 1.289 102 R CB -3.084 27.163 30.300 -0.089 0.000 1.906 102 R HN 0.514 nan 8.270 nan 0.000 0.540 103 N N 1.215 119.831 118.700 -0.140 0.000 2.492 103 N HA 0.223 4.961 4.740 -0.004 0.000 0.260 103 N C -0.069 175.443 175.510 0.003 0.000 1.215 103 N CA 0.170 53.147 53.050 -0.121 0.000 0.923 103 N CB 0.974 39.147 38.487 -0.523 0.000 1.092 103 N HN -0.077 nan 8.380 nan 0.000 0.448 104 V N 3.245 123.277 119.914 0.197 0.000 2.495 104 V HA 0.442 4.560 4.120 -0.004 0.000 0.298 104 V C 0.484 176.819 176.094 0.401 0.000 1.031 104 V CA -0.762 61.666 62.300 0.212 0.000 0.871 104 V CB 1.634 33.521 31.823 0.107 0.000 0.988 104 V HN 0.455 nan 8.190 nan 0.000 0.432 105 I N 5.112 125.878 120.570 0.328 0.000 2.353 105 I HA 0.421 4.589 4.170 -0.004 0.000 0.293 105 I C -0.388 175.886 176.117 0.263 0.000 0.992 105 I CA -0.331 61.172 61.300 0.337 0.000 1.268 105 I CB 1.472 39.634 38.000 0.271 0.000 1.387 105 I HN 0.449 nan 8.210 nan 0.000 0.478 106 I N 6.984 127.708 120.570 0.257 0.000 2.347 106 I HA 0.339 4.506 4.170 -0.004 0.000 0.283 106 I C 0.117 176.440 176.117 0.343 0.000 1.058 106 I CA -0.383 61.025 61.300 0.179 0.000 1.202 106 I CB 0.548 38.455 38.000 -0.155 0.000 1.386 106 I HN 0.529 nan 8.210 nan 0.000 0.475 107 R N 5.541 126.310 120.500 0.449 0.000 2.393 107 R HA 0.283 4.621 4.340 -0.004 0.000 0.310 107 R C -0.116 176.449 176.300 0.443 0.000 0.968 107 R CA -0.605 55.748 56.100 0.423 0.000 0.867 107 R CB 1.162 31.687 30.300 0.374 0.000 1.124 107 R HN 0.568 nan 8.270 nan 0.000 0.450 108 N N 3.125 121.933 118.700 0.180 0.000 2.492 108 N HA -0.117 4.620 4.740 -0.004 0.000 0.262 108 N C 0.333 175.765 175.510 -0.131 0.000 1.202 108 N CA 0.281 53.171 53.050 -0.266 0.000 0.926 108 N CB 0.638 38.799 38.487 -0.544 0.000 1.078 108 N HN 0.641 nan 8.380 nan 0.000 0.454 109 Y N 4.316 124.384 120.300 -0.388 0.000 2.220 109 Y HA -0.117 4.430 4.550 -0.005 0.000 0.291 109 Y C 2.511 178.347 175.900 -0.106 0.000 1.129 109 Y CA 1.541 59.430 58.100 -0.352 0.000 1.161 109 Y CB 0.011 38.213 38.460 -0.429 0.000 0.997 109 Y HN 0.677 nan 8.280 nan 0.000 0.522 110 M N 0.060 119.655 119.600 -0.009 0.000 2.086 110 M HA -0.168 4.309 4.480 -0.004 0.000 0.261 110 M C -0.076 176.237 176.300 0.021 0.000 1.067 110 M CA 1.819 57.146 55.300 0.044 0.000 1.116 110 M CB -0.020 32.727 32.600 0.245 0.000 1.348 110 M HN 0.210 nan 8.290 nan 0.000 0.407 111 N N 0.244 118.950 118.700 0.009 0.000 2.682 111 N HA 0.279 5.017 4.740 -0.004 0.000 0.252 111 N C -2.391 173.037 175.510 -0.137 0.000 1.081 111 N CA -2.079 50.924 53.050 -0.079 0.000 0.844 111 N CB 1.261 39.683 38.487 -0.108 0.000 1.167 111 N HN 0.063 nan 8.380 nan 0.000 0.523 112 P HA 0.007 nan 4.420 nan 0.000 0.239 112 P C 0.332 177.627 177.300 -0.010 0.000 1.184 112 P CA 0.511 63.633 63.100 0.037 0.000 0.760 112 P CB 0.483 32.234 31.700 0.084 0.000 0.884 113 N N -0.180 118.486 118.700 -0.057 0.000 2.459 113 N HA 0.017 4.755 4.740 -0.004 0.000 0.181 113 N C 0.689 176.145 175.510 -0.090 0.000 1.046 113 N CA 0.591 53.605 53.050 -0.061 0.000 0.904 113 N CB -0.037 38.415 38.487 -0.058 0.000 0.964 113 N HN 0.302 nan 8.380 nan 0.000 0.444 114 L N 1.069 122.199 121.223 -0.155 0.000 2.307 114 L HA 0.456 4.794 4.340 -0.004 0.000 0.284 114 L C -0.034 176.786 176.870 -0.084 0.000 1.023 114 L CA -0.938 53.778 54.840 -0.207 0.000 0.810 114 L CB 1.889 43.647 42.059 -0.503 0.000 1.231 114 L HN -0.210 nan 8.230 nan 0.000 0.423 115 V N 1.022 120.927 119.914 -0.013 0.000 2.960 115 V HA 0.543 4.660 4.120 -0.004 0.000 0.315 115 V C -0.406 175.760 176.094 0.120 0.000 1.087 115 V CA -1.133 61.229 62.300 0.105 0.000 0.982 115 V CB 2.124 34.001 31.823 0.090 0.000 1.039 115 V HN 0.572 nan 8.190 nan 0.000 0.437 116 L N 2.526 123.851 121.223 0.171 0.000 2.453 116 L HA 0.449 4.786 4.340 -0.004 0.000 0.272 116 L C 0.051 177.073 176.870 0.254 0.000 1.182 116 L CA 0.930 55.838 54.840 0.113 0.000 0.858 116 L CB 0.736 42.680 42.059 -0.191 0.000 1.120 116 L HN 1.055 nan 8.230 nan 0.000 0.474 117 Q N 3.575 123.495 119.800 0.200 0.000 2.347 117 Q HA 0.369 4.707 4.340 -0.004 0.000 0.271 117 Q C -1.841 174.270 176.000 0.184 0.000 1.064 117 Q CA -0.907 54.961 55.803 0.108 0.000 0.800 117 Q CB 1.791 30.513 28.738 -0.028 0.000 1.304 117 Q HN 0.633 nan 8.270 nan 0.000 0.438 118 Y N 1.576 121.914 120.300 0.064 0.000 2.342 118 Y HA 0.609 5.156 4.550 -0.005 0.000 0.334 118 Y C -0.658 175.238 175.900 -0.006 0.000 1.067 118 Y CA -0.971 57.156 58.100 0.045 0.000 1.128 118 Y CB 0.910 39.379 38.460 0.015 0.000 1.200 118 Y HN 0.438 nan 8.280 nan 0.000 0.464 119 N N 3.190 121.976 118.700 0.142 0.000 2.482 119 N HA 0.241 4.978 4.740 -0.004 0.000 0.279 119 N C 1.039 176.615 175.510 0.111 0.000 1.182 119 N CA -0.645 52.441 53.050 0.059 0.000 0.969 119 N CB 1.296 39.817 38.487 0.057 0.000 1.201 119 N HN 0.674 nan 8.380 nan 0.000 0.523 120 I N 0.821 121.424 120.570 0.054 0.000 2.248 120 I HA -0.253 3.914 4.170 -0.004 0.000 0.248 120 I C 1.316 177.470 176.117 0.063 0.000 1.107 120 I CA 1.607 62.942 61.300 0.057 0.000 1.373 120 I CB -1.091 36.923 38.000 0.024 0.000 1.055 120 I HN 0.585 nan 8.210 nan 0.000 0.418 121 D N -0.497 119.941 120.400 0.064 0.000 2.325 121 D HA -0.067 4.570 4.640 -0.004 0.000 0.234 121 D C 0.372 176.726 176.300 0.090 0.000 1.122 121 D CA 0.108 54.147 54.000 0.065 0.000 0.850 121 D CB -0.321 40.515 40.800 0.060 0.000 0.921 121 D HN 0.247 nan 8.370 nan 0.000 0.513 122 D N -0.777 119.688 120.400 0.109 0.000 2.946 122 D HA -0.175 4.462 4.640 -0.004 0.000 0.202 122 D C 0.274 176.669 176.300 0.159 0.000 1.068 122 D CA 1.532 55.610 54.000 0.131 0.000 1.011 122 D CB -2.049 38.819 40.800 0.113 0.000 1.105 122 D HN 0.590 nan 8.370 nan 0.000 0.425 123 T N -1.278 113.361 114.554 0.142 0.000 2.788 123 T HA 0.586 4.933 4.350 -0.004 0.000 0.287 123 T C 0.528 175.316 174.700 0.147 0.000 1.007 123 T CA -0.627 61.553 62.100 0.134 0.000 1.005 123 T CB 1.719 70.652 68.868 0.107 0.000 1.012 123 T HN 0.143 nan 8.240 nan 0.000 0.530 124 L N 1.560 122.861 121.223 0.131 0.000 2.354 124 L HA 0.794 5.132 4.340 -0.004 0.000 0.264 124 L C 0.049 176.989 176.870 0.115 0.000 1.008 124 L CA -0.984 53.938 54.840 0.136 0.000 0.819 124 L CB 2.053 44.175 42.059 0.106 0.000 1.339 124 L HN 0.951 nan 8.230 nan 0.000 0.420 125 M N 0.692 120.361 119.600 0.114 0.000 3.008 125 M HA 0.739 5.217 4.480 -0.004 0.000 0.271 125 M C -1.519 174.845 176.300 0.107 0.000 1.265 125 M CA -0.936 54.436 55.300 0.119 0.000 0.817 125 M CB 2.109 34.768 32.600 0.098 0.000 1.638 125 M HN 0.248 nan 8.290 nan 0.000 0.479 126 V N -0.701 119.271 119.914 0.098 0.000 2.834 126 V HA 0.977 5.095 4.120 -0.004 0.000 0.313 126 V C -0.339 175.741 176.094 -0.024 0.000 1.060 126 V CA -0.126 62.177 62.300 0.005 0.000 0.989 126 V CB 1.295 33.001 31.823 -0.195 0.000 1.041 126 V HN 1.075 nan 8.190 nan 0.000 0.459 127 S N 1.253 116.918 115.700 -0.057 0.000 2.587 127 S HA 0.611 5.079 4.470 -0.004 0.000 0.269 127 S C -0.263 174.295 174.600 -0.070 0.000 1.154 127 S CA -0.006 58.162 58.200 -0.053 0.000 0.824 127 S CB 1.672 64.847 63.200 -0.041 0.000 1.118 127 S HN 1.815 nan 8.310 nan 0.000 0.462 128 T N 0.782 115.299 114.554 -0.061 0.000 2.856 128 T HA 0.313 4.661 4.350 -0.004 0.000 0.306 128 T C 0.238 174.902 174.700 -0.061 0.000 1.062 128 T CA -0.292 61.773 62.100 -0.058 0.000 1.083 128 T CB 0.304 69.145 68.868 -0.045 0.000 0.984 128 T HN 0.768 nan 8.240 nan 0.000 0.542 129 Q N 1.215 120.981 119.800 -0.057 0.000 2.304 129 Q HA 0.375 4.713 4.340 -0.004 0.000 0.260 129 Q C 0.040 175.993 176.000 -0.079 0.000 0.965 129 Q CA -0.513 55.249 55.803 -0.069 0.000 0.898 129 Q CB 0.411 29.121 28.738 -0.047 0.000 1.196 129 Q HN 0.933 nan 8.270 nan 0.000 0.402 130 T N -0.586 113.897 114.554 -0.118 0.000 2.841 130 T HA 0.345 4.692 4.350 -0.004 0.000 0.276 130 T C 0.764 175.377 174.700 -0.145 0.000 1.003 130 T CA -0.248 61.783 62.100 -0.114 0.000 0.995 130 T CB 1.152 69.948 68.868 -0.120 0.000 1.260 130 T HN 0.582 nan 8.240 nan 0.000 0.581 131 S N -0.395 115.240 115.700 -0.107 0.000 2.631 131 S HA 0.185 4.653 4.470 -0.004 0.000 0.217 131 S C 0.824 175.343 174.600 -0.134 0.000 0.958 131 S CA -0.282 57.869 58.200 -0.081 0.000 0.920 131 S CB -1.022 62.173 63.200 -0.010 0.000 0.776 131 S HN 0.943 nan 8.310 nan 0.000 0.517 132 S N 1.597 117.164 115.700 -0.223 0.000 2.601 132 S HA 0.377 4.845 4.470 -0.004 0.000 0.271 132 S C 1.161 175.538 174.600 -0.372 0.000 1.305 132 S CA -0.137 57.931 58.200 -0.219 0.000 1.022 132 S CB 1.358 64.444 63.200 -0.191 0.000 0.940 132 S HN 0.471 nan 8.310 nan 0.000 0.525 133 S N 1.174 116.775 115.700 -0.164 0.000 2.469 133 S HA -0.196 4.272 4.470 -0.004 0.000 0.238 133 S C 1.351 175.792 174.600 -0.266 0.000 0.998 133 S CA 0.903 59.084 58.200 -0.032 0.000 0.957 133 S CB -0.945 62.320 63.200 0.109 0.000 0.764 133 S HN 0.908 nan 8.310 nan 0.000 0.514 134 N N 1.336 119.724 118.700 -0.520 0.000 2.571 134 N HA -0.070 4.668 4.740 -0.004 0.000 0.189 134 N C 0.909 175.888 175.510 -0.885 0.000 1.154 134 N CA 0.497 52.907 53.050 -1.067 0.000 0.907 134 N CB -0.522 37.490 38.487 -0.793 0.000 0.977 134 N HN 0.664 nan 8.380 nan 0.000 0.449 135 Q N -0.976 118.470 119.800 -0.591 0.000 2.139 135 Q HA 0.266 4.603 4.340 -0.004 0.000 0.219 135 Q C -1.039 174.801 176.000 -0.267 0.000 0.805 135 Q CA -0.310 55.269 55.803 -0.372 0.000 1.024 135 Q CB 0.503 29.045 28.738 -0.326 0.000 1.163 135 Q HN 0.144 nan 8.270 nan 0.000 0.485 136 F N 0.262 120.112 119.950 -0.167 0.000 2.436 136 F HA 0.484 5.009 4.527 -0.004 0.000 0.340 136 F C -0.233 175.429 175.800 -0.230 0.000 1.113 136 F CA -1.321 56.646 58.000 -0.055 0.000 1.022 136 F CB 0.697 39.690 39.000 -0.011 0.000 1.128 136 F HN -0.142 nan 8.300 nan 0.000 0.466 137 F N 1.684 121.846 119.950 0.354 0.000 2.561 137 F HA 0.578 5.103 4.527 -0.003 0.000 0.321 137 F C -0.140 175.778 175.800 0.197 0.000 1.065 137 F CA -1.050 57.068 58.000 0.197 0.000 0.934 137 F CB 2.017 41.090 39.000 0.122 0.000 1.215 137 F HN 0.169 nan 8.300 nan 0.000 0.471 138 K N 1.899 122.472 120.400 0.288 0.000 2.221 138 K HA 0.532 4.849 4.320 -0.004 0.000 0.258 138 K C -1.588 175.156 176.600 0.239 0.000 0.944 138 K CA -0.620 55.821 56.287 0.257 0.000 0.823 138 K CB 1.978 34.558 32.500 0.134 0.000 1.113 138 K HN 0.444 nan 8.250 nan 0.000 0.431 139 F N 0.832 120.817 119.950 0.058 0.000 2.427 139 F HA 0.257 4.781 4.527 -0.005 0.000 0.346 139 F C 0.191 176.148 175.800 0.261 0.000 1.120 139 F CA -0.578 57.468 58.000 0.078 0.000 1.033 139 F CB 1.963 40.807 39.000 -0.260 0.000 1.126 139 F HN 0.314 nan 8.300 nan 0.000 0.462 140 S N 3.215 119.236 115.700 0.535 0.000 2.552 140 S HA 0.174 4.641 4.470 -0.004 0.000 0.314 140 S C -0.613 174.272 174.600 0.474 0.000 1.099 140 S CA -0.965 57.524 58.200 0.483 0.000 1.070 140 S CB 1.054 64.510 63.200 0.426 0.000 0.998 140 S HN 0.589 nan 8.310 nan 0.000 0.474 141 N N 1.744 120.608 118.700 0.274 0.000 2.452 141 N HA 0.004 4.741 4.740 -0.004 0.000 0.266 141 N C 0.892 176.418 175.510 0.026 0.000 1.209 141 N CA -0.062 52.919 53.050 -0.115 0.000 0.929 141 N CB 0.587 38.982 38.487 -0.154 0.000 1.063 141 N HN 0.614 nan 8.380 nan 0.000 0.472 142 C N 3.909 123.126 119.300 -0.138 0.000 2.432 142 C HA -0.084 4.373 4.460 -0.004 0.000 0.277 142 C C 2.707 177.755 174.990 0.097 0.000 1.249 142 C CA 0.221 59.189 59.018 -0.083 0.000 1.725 142 C CB -0.906 26.692 27.740 -0.237 0.000 2.028 142 C HN 0.781 nan 8.230 nan 0.000 0.477 143 I N -0.534 120.033 120.570 -0.005 0.000 2.286 143 I HA -0.230 3.937 4.170 -0.004 0.000 0.248 143 I C 2.481 178.667 176.117 0.114 0.000 1.115 143 I CA 1.724 63.022 61.300 -0.002 0.000 1.392 143 I CB -0.507 37.394 38.000 -0.165 0.000 1.065 143 I HN 0.377 nan 8.210 nan 0.000 0.418 144 Y N 1.643 121.988 120.300 0.076 0.000 2.145 144 Y HA -0.316 4.232 4.550 -0.005 0.000 0.286 144 Y C 2.590 178.556 175.900 0.110 0.000 1.145 144 Y CA 2.136 60.309 58.100 0.122 0.000 1.148 144 Y CB -0.223 38.222 38.460 -0.024 0.000 0.981 144 Y HN 0.166 nan 8.280 nan 0.000 0.507 145 E N -0.179 120.156 120.200 0.225 0.000 2.085 145 E HA -0.251 4.097 4.350 -0.004 0.000 0.194 145 E C 2.177 178.826 176.600 0.082 0.000 0.994 145 E CA 1.310 57.810 56.400 0.168 0.000 0.801 145 E CB -0.316 29.578 29.700 0.322 0.000 0.743 145 E HN 0.565 nan 8.360 nan 0.000 0.453 146 A N 0.270 123.162 122.820 0.119 0.000 1.898 146 A HA 0.007 4.325 4.320 -0.004 0.000 0.214 146 A C 2.008 179.605 177.584 0.021 0.000 1.183 146 A CA 0.844 52.941 52.037 0.100 0.000 0.622 146 A CB -0.115 18.986 19.000 0.168 0.000 0.824 146 A HN 0.297 nan 8.150 nan 0.000 0.444 147 L N -1.093 120.115 121.223 -0.026 0.000 2.609 147 L HA 0.153 4.491 4.340 -0.004 0.000 0.230 147 L C 0.509 177.343 176.870 -0.060 0.000 1.087 147 L CA -0.300 54.496 54.840 -0.074 0.000 0.874 147 L CB -0.290 41.660 42.059 -0.181 0.000 1.114 147 L HN 0.258 nan 8.230 nan 0.000 0.488 148 N N 1.621 120.262 118.700 -0.099 0.000 2.454 148 N HA -0.064 4.673 4.740 -0.004 0.000 0.260 148 N C 0.353 175.840 175.510 -0.039 0.000 1.218 148 N CA 0.543 53.551 53.050 -0.071 0.000 0.904 148 N CB 0.091 38.280 38.487 -0.495 0.000 1.065 148 N HN 0.078 nan 8.380 nan 0.000 0.462 149 N N 0.798 119.534 118.700 0.060 0.000 2.741 149 N HA -0.209 4.529 4.740 -0.004 0.000 0.250 149 N C -1.140 174.392 175.510 0.036 0.000 1.115 149 N CA 0.704 53.790 53.050 0.059 0.000 0.724 149 N CB -0.619 37.893 38.487 0.042 0.000 1.090 149 N HN 0.599 nan 8.380 nan 0.000 0.558 150 R N 0.788 121.306 120.500 0.030 0.000 2.532 150 R HA 0.311 4.649 4.340 -0.004 0.000 0.295 150 R C 0.187 176.506 176.300 0.031 0.000 0.968 150 R CA -0.799 55.312 56.100 0.019 0.000 0.916 150 R CB 0.893 31.194 30.300 0.001 0.000 1.124 150 R HN 0.056 nan 8.270 nan 0.000 0.463 151 N N 1.192 119.909 118.700 0.028 0.000 2.420 151 N HA 0.105 4.842 4.740 -0.004 0.000 0.262 151 N C -1.104 174.434 175.510 0.047 0.000 1.144 151 N CA 0.077 53.148 53.050 0.035 0.000 0.952 151 N CB 0.352 38.849 38.487 0.016 0.000 1.081 151 N HN 0.411 nan 8.380 nan 0.000 0.480 152 C N 2.592 121.942 119.300 0.084 0.000 2.889 152 C HA 0.615 5.073 4.460 -0.004 0.000 0.307 152 C C -0.311 174.791 174.990 0.187 0.000 1.251 152 C CA -1.036 58.033 59.018 0.085 0.000 1.593 152 C CB 1.758 29.509 27.740 0.019 0.000 2.104 152 C HN 0.731 nan 8.230 nan 0.000 0.476 153 K N 0.710 121.205 120.400 0.159 0.000 2.208 153 K HA 0.893 5.210 4.320 -0.004 0.000 0.247 153 K C -1.882 174.884 176.600 0.276 0.000 0.953 153 K CA -0.547 55.916 56.287 0.294 0.000 0.837 153 K CB 1.123 33.689 32.500 0.110 0.000 1.131 153 K HN 0.419 nan 8.250 nan 0.000 0.431 154 L N 1.986 123.438 121.223 0.381 0.000 2.372 154 L HA 0.288 4.625 4.340 -0.004 0.000 0.273 154 L C -0.560 176.522 176.870 0.353 0.000 0.989 154 L CA -0.309 54.659 54.840 0.214 0.000 0.841 154 L CB 1.876 43.844 42.059 -0.153 0.000 1.225 154 L HN 0.690 nan 8.230 nan 0.000 0.414 155 Q N 1.633 121.519 119.800 0.142 0.000 2.256 155 Q HA 0.331 4.669 4.340 -0.004 0.000 0.257 155 Q C -0.318 175.626 176.000 -0.094 0.000 0.936 155 Q CA -0.437 55.172 55.803 -0.323 0.000 0.903 155 Q CB 1.903 30.283 28.738 -0.596 0.000 1.263 155 Q HN 0.581 nan 8.270 nan 0.000 0.440 156 T N 1.828 116.209 114.554 -0.288 0.000 2.916 156 T HA -0.048 4.299 4.350 -0.004 0.000 0.303 156 T C 0.970 175.405 174.700 -0.441 0.000 1.025 156 T CA -0.012 61.692 62.100 -0.661 0.000 1.142 156 T CB 1.040 69.488 68.868 -0.700 0.000 0.947 156 T HN 0.762 nan 8.240 nan 0.000 0.544 157 Q N 3.619 123.153 119.800 -0.443 0.000 2.297 157 Q HA -0.018 4.319 4.340 -0.004 0.000 0.208 157 Q C 1.851 177.706 176.000 -0.243 0.000 0.981 157 Q CA 1.560 57.196 55.803 -0.278 0.000 0.876 157 Q CB -0.587 28.008 28.738 -0.238 0.000 0.921 157 Q HN 0.884 nan 8.270 nan 0.000 0.446 158 L N -0.227 120.825 121.223 -0.285 0.000 2.127 158 L HA -0.080 4.257 4.340 -0.004 0.000 0.211 158 L C 0.957 177.728 176.870 -0.164 0.000 1.089 158 L CA 0.922 55.637 54.840 -0.209 0.000 0.757 158 L CB -0.198 41.734 42.059 -0.211 0.000 0.899 158 L HN 0.257 nan 8.230 nan 0.000 0.434 159 N N -1.588 117.003 118.700 -0.181 0.000 2.452 159 N HA 0.007 4.745 4.740 -0.004 0.000 0.277 159 N C 0.514 175.928 175.510 -0.161 0.000 1.078 159 N CA 0.417 53.383 53.050 -0.139 0.000 0.947 159 N CB 1.722 40.142 38.487 -0.111 0.000 1.655 159 N HN -0.105 nan 8.380 nan 0.000 0.490 160 S N 1.168 116.803 115.700 -0.109 0.000 2.469 160 S HA -0.105 4.363 4.470 -0.004 0.000 0.238 160 S C 0.594 175.154 174.600 -0.066 0.000 0.998 160 S CA 1.006 59.147 58.200 -0.097 0.000 0.957 160 S CB 0.053 63.230 63.200 -0.039 0.000 0.764 160 S HN 0.583 nan 8.310 nan 0.000 0.514 161 D N 1.024 121.419 120.400 -0.008 0.000 2.980 161 D HA 0.289 4.927 4.640 -0.004 0.000 0.333 161 D C -0.685 175.717 176.300 0.169 0.000 1.356 161 D CA -0.372 53.739 54.000 0.185 0.000 0.847 161 D CB 0.171 41.104 40.800 0.221 0.000 1.122 161 D HN 0.043 nan 8.370 nan 0.000 0.475 162 R N 0.834 121.284 120.500 -0.085 0.000 2.502 162 R HA 0.432 4.770 4.340 -0.004 0.000 0.300 162 R C -1.140 175.091 176.300 -0.116 0.000 0.984 162 R CA -0.526 55.596 56.100 0.036 0.000 0.882 162 R CB 0.834 31.119 30.300 -0.025 0.000 1.180 162 R HN 0.017 nan 8.270 nan 0.000 0.444 163 F N 1.100 121.243 119.950 0.321 0.000 2.561 163 F HA 0.391 4.916 4.527 -0.004 0.000 0.321 163 F C 0.396 176.436 175.800 0.400 0.000 1.065 163 F CA -1.258 56.974 58.000 0.387 0.000 0.934 163 F CB 1.205 40.503 39.000 0.496 0.000 1.215 163 F HN 0.213 nan 8.300 nan 0.000 0.471 164 L N 2.462 124.002 121.223 0.529 0.000 2.562 164 L HA 0.267 4.605 4.340 -0.004 0.000 0.271 164 L C -0.459 176.740 176.870 0.548 0.000 1.167 164 L CA 0.888 55.911 54.840 0.305 0.000 0.917 164 L CB -0.569 41.346 42.059 -0.240 0.000 1.187 164 L HN 0.544 nan 8.230 nan 0.000 0.482 165 S N 4.747 120.739 115.700 0.487 0.000 2.575 165 S HA 0.350 4.817 4.470 -0.004 0.000 0.278 165 S C -0.811 173.996 174.600 0.345 0.000 1.139 165 S CA -0.965 57.501 58.200 0.442 0.000 0.954 165 S CB 1.595 65.030 63.200 0.392 0.000 1.054 165 S HN 0.583 nan 8.310 nan 0.000 0.483 166 K N 2.107 122.653 120.400 0.243 0.000 2.401 166 K HA 0.095 4.413 4.320 -0.004 0.000 0.278 166 K C 0.072 176.691 176.600 0.031 0.000 1.018 166 K CA -0.172 56.188 56.287 0.123 0.000 0.981 166 K CB 0.263 32.758 32.500 -0.009 0.000 0.933 166 K HN 0.576 nan 8.250 nan 0.000 0.477 167 N N 2.620 121.333 118.700 0.023 0.000 2.453 167 N HA -0.017 4.720 4.740 -0.004 0.000 0.253 167 N C -0.737 174.712 175.510 -0.102 0.000 1.252 167 N CA -0.307 52.708 53.050 -0.057 0.000 0.917 167 N CB 0.387 38.855 38.487 -0.031 0.000 1.117 167 N HN 0.435 nan 8.380 nan 0.000 0.442 168 L N 3.319 124.435 121.223 -0.180 0.000 2.513 168 L HA 0.091 4.429 4.340 -0.004 0.000 0.272 168 L C 0.282 177.095 176.870 -0.094 0.000 1.187 168 L CA 0.498 55.245 54.840 -0.154 0.000 0.895 168 L CB -0.602 41.328 42.059 -0.214 0.000 1.147 168 L HN 0.819 nan 8.230 nan 0.000 0.483 169 N N 1.777 120.435 118.700 -0.071 0.000 2.716 169 N HA -0.237 4.500 4.740 -0.004 0.000 0.250 169 N C -0.894 174.603 175.510 -0.021 0.000 1.033 169 N CA 1.232 54.256 53.050 -0.044 0.000 0.727 169 N CB -0.646 37.815 38.487 -0.043 0.000 0.950 169 N HN 0.887 nan 8.380 nan 0.000 0.541 170 S N -1.640 114.053 115.700 -0.012 0.000 2.565 170 S HA 0.394 4.861 4.470 -0.004 0.000 0.269 170 S C 0.029 174.652 174.600 0.038 0.000 1.153 170 S CA -0.655 57.557 58.200 0.020 0.000 0.835 170 S CB 1.289 64.499 63.200 0.018 0.000 1.122 170 S HN 0.096 nan 8.310 nan 0.000 0.462 171 Q N 1.344 121.189 119.800 0.075 0.000 2.425 171 Q HA 0.307 4.644 4.340 -0.004 0.000 0.204 171 Q C 0.215 176.300 176.000 0.140 0.000 0.933 171 Q CA 0.301 56.168 55.803 0.107 0.000 0.939 171 Q CB -0.169 28.654 28.738 0.142 0.000 1.044 171 Q HN 0.698 nan 8.270 nan 0.000 0.513 172 I N 1.651 122.295 120.570 0.123 0.000 2.648 172 I HA -0.028 4.139 4.170 -0.004 0.000 0.284 172 I C 0.337 176.528 176.117 0.123 0.000 1.153 172 I CA 0.041 61.420 61.300 0.133 0.000 1.426 172 I CB 0.426 38.479 38.000 0.087 0.000 1.381 172 I HN -0.076 nan 8.210 nan 0.000 0.571 173 I N 7.145 127.811 120.570 0.160 0.000 2.385 173 I HA 0.355 4.523 4.170 -0.004 0.000 0.294 173 I C 0.023 176.223 176.117 0.139 0.000 0.988 173 I CA -0.367 61.038 61.300 0.175 0.000 1.265 173 I CB 1.337 39.448 38.000 0.184 0.000 1.388 173 I HN 0.362 nan 8.210 nan 0.000 0.480 174 V N 4.306 124.325 119.914 0.173 0.000 3.167 174 V HA 0.574 4.691 4.120 -0.004 0.000 0.310 174 V C -0.622 175.642 176.094 0.283 0.000 1.207 174 V CA -1.128 61.277 62.300 0.175 0.000 1.059 174 V CB 1.927 33.839 31.823 0.149 0.000 1.079 174 V HN 0.487 nan 8.190 nan 0.000 0.446 175 L N 1.970 123.357 121.223 0.273 0.000 2.371 175 L HA 0.479 4.816 4.340 -0.004 0.000 0.272 175 L C -0.542 176.577 176.870 0.415 0.000 1.124 175 L CA 0.022 55.046 54.840 0.308 0.000 0.816 175 L CB 1.107 43.270 42.059 0.174 0.000 1.129 175 L HN 0.746 nan 8.230 nan 0.000 0.448 176 W N 3.380 124.837 121.300 0.263 0.000 3.296 176 W HA 0.207 4.865 4.660 -0.004 0.000 0.314 176 W C -0.897 175.857 176.519 0.391 0.000 1.238 176 W CA -0.803 56.705 57.345 0.271 0.000 1.193 176 W CB 2.014 31.649 29.460 0.292 0.000 1.383 176 W HN 0.641 nan 8.180 nan 0.000 0.545 177 Q N 3.366 123.309 119.800 0.238 0.000 2.479 177 Q HA -0.072 4.266 4.340 -0.004 0.000 0.267 177 Q C 0.082 176.516 176.000 0.724 0.000 1.071 177 Q CA 0.349 56.415 55.803 0.438 0.000 0.935 177 Q CB 1.335 30.186 28.738 0.189 0.000 1.295 177 Q HN 0.470 nan 8.270 nan 0.000 0.476 178 W N 4.529 126.077 121.300 0.413 0.000 2.253 178 W HA 0.176 4.834 4.660 -0.004 0.000 0.322 178 W C -0.934 175.764 176.519 0.300 0.000 1.342 178 W CA -0.623 56.802 57.345 0.133 0.000 1.218 178 W CB 0.307 29.659 29.460 -0.180 0.000 1.205 178 W HN 0.852 nan 8.180 nan 0.000 0.551 179 F N 3.058 122.640 119.950 -0.614 0.000 2.739 179 F HA 0.188 4.712 4.527 -0.004 0.000 0.366 179 F C 0.108 175.475 175.800 -0.721 0.000 1.279 179 F CA -0.651 57.073 58.000 -0.461 0.000 1.151 179 F CB -0.664 38.234 39.000 -0.169 0.000 1.132 179 F HN 0.329 nan 8.300 nan 0.000 0.511 180 D N 1.670 121.053 120.400 -1.695 0.000 2.751 180 D HA -0.238 4.400 4.640 -0.004 0.000 0.233 180 D C -0.038 175.699 176.300 -0.937 0.000 1.149 180 D CA 1.124 54.430 54.000 -1.157 0.000 0.682 180 D CB -0.852 39.757 40.800 -0.318 0.000 1.068 180 D HN 0.502 nan 8.370 nan 0.000 0.429 181 S N -1.315 113.579 115.700 -1.343 0.000 2.541 181 S HA 0.485 4.953 4.470 -0.004 0.000 0.283 181 S C 1.611 175.794 174.600 -0.695 0.000 1.196 181 S CA 0.195 57.785 58.200 -1.016 0.000 1.062 181 S CB 1.403 63.671 63.200 -1.554 0.000 1.009 181 S HN 0.350 nan 8.310 nan 0.000 0.502 182 S N 4.431 119.849 115.700 -0.469 0.000 2.440 182 S HA -0.098 4.369 4.470 -0.004 0.000 0.238 182 S C 1.532 175.856 174.600 -0.459 0.000 1.010 182 S CA 0.652 58.618 58.200 -0.389 0.000 0.972 182 S CB -0.373 62.653 63.200 -0.290 0.000 0.774 182 S HN 0.799 nan 8.310 nan 0.000 0.501 183 R N 0.883 121.110 120.500 -0.455 0.000 2.285 183 R HA 0.089 4.426 4.340 -0.004 0.000 0.213 183 R C 1.496 177.551 176.300 -0.408 0.000 1.068 183 R CA 1.077 56.931 56.100 -0.410 0.000 1.004 183 R CB -0.148 29.994 30.300 -0.264 0.000 0.873 183 R HN 0.661 nan 8.270 nan 0.000 0.467 184 Q N -0.242 119.297 119.800 -0.435 0.000 2.171 184 Q HA 0.156 4.493 4.340 -0.004 0.000 0.218 184 Q C -0.542 175.424 176.000 -0.056 0.000 0.822 184 Q CA 0.083 55.805 55.803 -0.136 0.000 0.987 184 Q CB 1.122 29.683 28.738 -0.295 0.000 1.144 184 Q HN 0.041 nan 8.270 nan 0.000 0.494 185 K N 0.474 120.624 120.400 -0.417 0.000 2.292 185 K HA 0.421 4.739 4.320 -0.004 0.000 0.257 185 K C -1.529 174.767 176.600 -0.507 0.000 0.940 185 K CA -0.381 55.769 56.287 -0.229 0.000 0.811 185 K CB 1.326 33.731 32.500 -0.159 0.000 1.120 185 K HN -0.059 nan 8.250 nan 0.000 0.428 186 W N 3.474 124.755 121.300 -0.032 0.000 2.715 186 W HA 0.391 5.049 4.660 -0.004 0.000 0.331 186 W C -0.763 175.731 176.519 -0.042 0.000 1.031 186 W CA -0.618 56.693 57.345 -0.057 0.000 1.237 186 W CB 0.767 30.177 29.460 -0.083 0.000 1.378 186 W HN 0.305 nan 8.180 nan 0.000 0.454 187 I N 4.643 125.299 120.570 0.143 0.000 2.337 187 I HA 0.176 4.343 4.170 -0.004 0.000 0.291 187 I C 0.215 176.437 176.117 0.175 0.000 1.046 187 I CA -0.201 61.171 61.300 0.120 0.000 1.324 187 I CB 0.123 38.169 38.000 0.076 0.000 1.409 187 I HN 0.226 nan 8.210 nan 0.000 0.494 188 I N 7.135 127.787 120.570 0.137 0.000 2.325 188 I HA 0.283 4.451 4.170 -0.004 0.000 0.291 188 I C -0.034 176.235 176.117 0.255 0.000 1.019 188 I CA -0.226 61.166 61.300 0.155 0.000 1.302 188 I CB 0.439 38.438 38.000 -0.002 0.000 1.401 188 I HN 0.583 nan 8.210 nan 0.000 0.485 189 E N 5.754 126.180 120.200 0.377 0.000 2.260 189 E HA 0.225 4.573 4.350 -0.004 0.000 0.266 189 E C -1.418 175.435 176.600 0.422 0.000 0.887 189 E CA -0.837 55.781 56.400 0.363 0.000 0.777 189 E CB 2.538 32.398 29.700 0.266 0.000 1.205 189 E HN 0.394 nan 8.360 nan 0.000 0.414 190 Y N 3.347 123.774 120.300 0.212 0.000 2.377 190 Y HA 0.078 4.626 4.550 -0.004 0.000 0.330 190 Y C -0.002 175.915 175.900 0.028 0.000 1.108 190 Y CA 0.001 58.041 58.100 -0.100 0.000 1.308 190 Y CB 0.594 39.040 38.460 -0.024 0.000 1.216 190 Y HN 0.442 nan 8.280 nan 0.000 0.518 191 N N 5.400 123.838 118.700 -0.436 0.000 2.425 191 N HA 0.053 4.791 4.740 -0.004 0.000 0.268 191 N C 0.332 175.523 175.510 -0.531 0.000 0.991 191 N CA -0.213 52.672 53.050 -0.276 0.000 0.931 191 N CB 1.099 39.547 38.487 -0.065 0.000 1.130 191 N HN 0.799 nan 8.380 nan 0.000 0.493 192 E N 2.161 122.239 120.200 -0.203 0.000 2.072 192 E HA -0.101 4.246 4.350 -0.004 0.000 0.191 192 E C 1.169 177.680 176.600 -0.148 0.000 0.985 192 E CA 1.435 57.776 56.400 -0.099 0.000 0.801 192 E CB -0.206 29.525 29.700 0.050 0.000 0.750 192 E HN 0.660 nan 8.360 nan 0.000 0.452 193 T N 2.039 116.499 114.554 -0.157 0.000 2.708 193 T HA -0.105 4.242 4.350 -0.004 0.000 0.266 193 T C 1.678 176.238 174.700 -0.234 0.000 1.037 193 T CA 1.160 63.163 62.100 -0.163 0.000 1.146 193 T CB 0.015 68.790 68.868 -0.155 0.000 0.865 193 T HN 0.016 nan 8.240 nan 0.000 0.435 194 K N 1.150 121.333 120.400 -0.361 0.000 2.418 194 K HA 0.221 4.539 4.320 -0.004 0.000 0.195 194 K C 0.920 177.331 176.600 -0.315 0.000 1.035 194 K CA 0.147 56.185 56.287 -0.415 0.000 1.003 194 K CB -0.043 32.005 32.500 -0.753 0.000 0.793 194 K HN 0.244 nan 8.250 nan 0.000 0.494 195 S N 0.267 115.741 115.700 -0.377 0.000 3.631 195 S HA -0.178 4.289 4.470 -0.004 0.000 0.366 195 S C 0.008 174.401 174.600 -0.345 0.000 0.993 195 S CA 0.663 58.653 58.200 -0.349 0.000 1.167 195 S CB -1.376 61.797 63.200 -0.045 0.000 0.909 195 S HN 0.672 nan 8.310 nan 0.000 0.478 196 A N -0.403 122.070 122.820 -0.579 0.000 2.557 196 A HA 0.804 5.121 4.320 -0.004 0.000 0.292 196 A C -1.456 175.992 177.584 -0.227 0.000 1.139 196 A CA -0.866 51.048 52.037 -0.204 0.000 0.665 196 A CB 0.823 19.866 19.000 0.072 0.000 1.285 196 A HN 0.263 nan 8.150 nan 0.000 0.433 197 Y N 0.352 120.801 120.300 0.248 0.000 2.420 197 Y HA 0.578 5.125 4.550 -0.004 0.000 0.334 197 Y C 1.186 177.258 175.900 0.287 0.000 1.094 197 Y CA 0.277 58.541 58.100 0.272 0.000 1.126 197 Y CB 2.069 40.689 38.460 0.268 0.000 1.217 197 Y HN 0.767 nan 8.280 nan 0.000 0.462 198 T N 0.144 114.914 114.554 0.361 0.000 2.945 198 T HA 0.775 5.122 4.350 -0.004 0.000 0.286 198 T C -1.094 173.810 174.700 0.339 0.000 1.025 198 T CA -0.870 61.388 62.100 0.263 0.000 1.039 198 T CB 1.249 70.131 68.868 0.024 0.000 1.068 198 T HN 0.350 nan 8.240 nan 0.000 0.497 199 L N 1.533 122.961 121.223 0.341 0.000 2.406 199 L HA 0.514 4.852 4.340 -0.004 0.000 0.270 199 L C -0.046 177.108 176.870 0.472 0.000 0.982 199 L CA -0.484 54.530 54.840 0.290 0.000 0.843 199 L CB 1.873 43.910 42.059 -0.036 0.000 1.225 199 L HN 0.700 nan 8.230 nan 0.000 0.412 200 K N 2.572 123.180 120.400 0.348 0.000 2.240 200 K HA 0.372 4.689 4.320 -0.004 0.000 0.271 200 K C -0.619 175.903 176.600 -0.130 0.000 1.018 200 K CA -0.534 55.742 56.287 -0.017 0.000 0.874 200 K CB 1.227 33.606 32.500 -0.202 0.000 1.098 200 K HN 0.691 nan 8.250 nan 0.000 0.458 201 C N 4.622 123.690 119.300 -0.386 0.000 2.648 201 C HA 0.033 4.490 4.460 -0.004 0.000 0.415 201 C C 1.819 176.472 174.990 -0.562 0.000 1.366 201 C CA -0.042 58.434 59.018 -0.903 0.000 1.756 201 C CB -0.085 27.128 27.740 -0.878 0.000 2.549 201 C HN 1.062 nan 8.230 nan 0.000 0.597 202 Q N 2.537 122.011 119.800 -0.543 0.000 2.170 202 Q HA -0.167 4.171 4.340 -0.004 0.000 0.203 202 Q C 2.053 177.871 176.000 -0.303 0.000 0.976 202 Q CA 1.701 57.298 55.803 -0.343 0.000 0.858 202 Q CB -0.133 28.430 28.738 -0.291 0.000 0.907 202 Q HN 0.934 nan 8.270 nan 0.000 0.433 203 E N 0.990 120.981 120.200 -0.349 0.000 2.051 203 E HA -0.188 4.160 4.350 -0.004 0.000 0.192 203 E C 0.973 177.446 176.600 -0.211 0.000 0.991 203 E CA 1.641 57.882 56.400 -0.264 0.000 0.799 203 E CB 0.054 29.592 29.700 -0.270 0.000 0.748 203 E HN 0.612 nan 8.360 nan 0.000 0.449 204 N N -0.622 117.941 118.700 -0.228 0.000 2.170 204 N HA -0.015 4.723 4.740 -0.004 0.000 0.222 204 N C -0.312 175.087 175.510 -0.186 0.000 1.218 204 N CA 0.032 52.978 53.050 -0.173 0.000 0.889 204 N CB -0.072 38.333 38.487 -0.136 0.000 1.083 204 N HN -0.055 nan 8.380 nan 0.000 0.520 205 N N 0.247 118.799 118.700 -0.246 0.000 2.714 205 N HA -0.197 4.541 4.740 -0.004 0.000 0.250 205 N C -0.784 174.483 175.510 -0.405 0.000 1.117 205 N CA 0.737 53.614 53.050 -0.288 0.000 0.719 205 N CB -1.028 37.356 38.487 -0.172 0.000 1.081 205 N HN 0.597 nan 8.380 nan 0.000 0.557 206 R N -0.897 119.371 120.500 -0.387 0.000 2.873 206 R HA 0.572 4.909 4.340 -0.004 0.000 0.264 206 R C -0.572 175.520 176.300 -0.345 0.000 1.026 206 R CA -0.541 55.365 56.100 -0.325 0.000 1.002 206 R CB 0.965 31.224 30.300 -0.068 0.000 1.174 206 R HN 0.023 nan 8.270 nan 0.000 0.488 207 Y N 0.471 120.873 120.300 0.169 0.000 2.409 207 Y HA 0.298 4.845 4.550 -0.004 0.000 0.339 207 Y C -0.112 175.976 175.900 0.313 0.000 1.033 207 Y CA -1.096 57.144 58.100 0.233 0.000 1.094 207 Y CB 1.145 39.698 38.460 0.155 0.000 1.210 207 Y HN 0.328 nan 8.280 nan 0.000 0.456 208 L N 3.273 124.780 121.223 0.472 0.000 2.615 208 L HA 0.187 4.524 4.340 -0.004 0.000 0.271 208 L C -0.441 176.736 176.870 0.513 0.000 1.183 208 L CA 1.096 56.120 54.840 0.306 0.000 0.933 208 L CB -0.582 41.372 42.059 -0.175 0.000 1.199 208 L HN 0.700 nan 8.230 nan 0.000 0.487 209 T N 4.647 119.479 114.554 0.464 0.000 2.952 209 T HA 0.166 4.514 4.350 -0.004 0.000 0.305 209 T C -1.338 173.608 174.700 0.411 0.000 1.064 209 T CA -0.390 61.956 62.100 0.410 0.000 1.008 209 T CB 0.713 69.735 68.868 0.257 0.000 1.078 209 T HN 0.566 nan 8.240 nan 0.000 0.459 210 W N 5.961 127.337 121.300 0.128 0.000 2.446 210 W HA 0.396 5.054 4.660 -0.004 0.000 0.316 210 W C -1.164 175.338 176.519 -0.030 0.000 1.376 210 W CA -1.607 55.779 57.345 0.069 0.000 1.300 210 W CB -0.149 29.291 29.460 -0.034 0.000 1.351 210 W HN 0.373 nan 8.180 nan 0.000 0.530 211 I N 7.070 127.781 120.570 0.236 0.000 2.291 211 I HA 0.083 4.251 4.170 -0.004 0.000 0.290 211 I C 0.386 176.419 176.117 -0.139 0.000 1.050 211 I CA -0.596 60.679 61.300 -0.041 0.000 1.245 211 I CB 0.371 38.397 38.000 0.043 0.000 1.405 211 I HN 0.301 nan 8.210 nan 0.000 0.478 212 Q N 6.546 126.079 119.800 -0.445 0.000 2.324 212 Q HA 0.205 4.543 4.340 -0.004 0.000 0.257 212 Q C -0.300 175.568 176.000 -0.220 0.000 1.080 212 Q CA -0.057 55.455 55.803 -0.485 0.000 0.907 212 Q CB 0.557 28.857 28.738 -0.729 0.000 1.274 212 Q HN 0.731 nan 8.270 nan 0.000 0.434 213 N N -1.249 117.382 118.700 -0.114 0.000 3.364 213 N HA 0.051 4.789 4.740 -0.004 0.000 0.294 213 N C 0.275 175.745 175.510 -0.066 0.000 1.562 213 N CA -0.328 52.666 53.050 -0.094 0.000 0.862 213 N CB -0.052 38.373 38.487 -0.104 0.000 1.691 213 N HN 0.159 nan 8.380 nan 0.000 0.572 214 S N -0.930 114.724 115.700 -0.078 0.000 2.442 214 S HA -0.136 4.332 4.470 -0.004 0.000 0.236 214 S C 0.790 175.320 174.600 -0.117 0.000 1.007 214 S CA 1.343 59.506 58.200 -0.061 0.000 0.965 214 S CB -0.985 62.186 63.200 -0.048 0.000 0.773 214 S HN 0.607 nan 8.310 nan 0.000 0.504 215 N N 1.546 120.077 118.700 -0.282 0.000 2.333 215 N HA 0.095 4.832 4.740 -0.004 0.000 0.178 215 N C -0.298 174.956 175.510 -0.426 0.000 1.018 215 N CA 0.412 53.110 53.050 -0.586 0.000 0.882 215 N CB -0.120 37.539 38.487 -1.380 0.000 0.984 215 N HN 0.252 nan 8.380 nan 0.000 0.434 216 N N 0.230 118.839 118.700 -0.151 0.000 2.735 216 N HA -0.186 4.552 4.740 -0.004 0.000 0.248 216 N C -1.249 174.416 175.510 0.259 0.000 1.083 216 N CA 0.812 53.995 53.050 0.222 0.000 0.703 216 N CB -1.337 37.325 38.487 0.291 0.000 1.005 216 N HN 0.302 nan 8.380 nan 0.000 0.550 217 Y N -0.057 120.339 120.300 0.161 0.000 2.379 217 Y HA 0.231 4.778 4.550 -0.004 0.000 0.337 217 Y C 1.426 177.475 175.900 0.247 0.000 1.238 217 Y CA -1.025 57.163 58.100 0.147 0.000 1.405 217 Y CB 0.368 38.878 38.460 0.085 0.000 1.310 217 Y HN -0.018 nan 8.280 nan 0.000 0.569 218 V N -0.284 119.870 119.914 0.401 0.000 2.567 218 V HA 0.612 4.730 4.120 -0.004 0.000 0.289 218 V C -0.345 175.926 176.094 0.295 0.000 1.049 218 V CA -0.975 61.527 62.300 0.338 0.000 0.969 218 V CB 1.309 33.277 31.823 0.242 0.000 0.995 218 V HN 0.790 nan 8.190 nan 0.000 0.471 219 E N 1.474 121.847 120.200 0.288 0.000 2.393 219 E HA 0.478 4.825 4.350 -0.004 0.000 0.273 219 E C -0.734 176.047 176.600 0.302 0.000 0.918 219 E CA -0.847 55.716 56.400 0.271 0.000 0.773 219 E CB 2.277 32.132 29.700 0.259 0.000 1.275 219 E HN 0.938 nan 8.360 nan 0.000 0.451 220 T N -0.593 114.131 114.554 0.283 0.000 2.870 220 T HA 0.289 4.637 4.350 -0.004 0.000 0.300 220 T C -0.680 174.213 174.700 0.322 0.000 0.989 220 T CA -0.190 62.079 62.100 0.282 0.000 1.139 220 T CB 0.248 69.214 68.868 0.162 0.000 0.920 220 T HN 0.426 nan 8.240 nan 0.000 0.537 221 Y N 2.301 122.711 120.300 0.184 0.000 2.562 221 Y HA 0.321 4.869 4.550 -0.004 0.000 0.345 221 Y C -0.096 175.927 175.900 0.206 0.000 1.045 221 Y CA -1.236 56.964 58.100 0.167 0.000 1.028 221 Y CB 1.775 40.335 38.460 0.167 0.000 1.297 221 Y HN 0.882 nan 8.280 nan 0.000 0.463 222 Q N 2.351 121.933 119.800 -0.364 0.000 2.479 222 Q HA 0.080 4.417 4.340 -0.004 0.000 0.267 222 Q C 0.040 176.063 176.000 0.039 0.000 1.071 222 Q CA 0.058 55.760 55.803 -0.168 0.000 0.935 222 Q CB 0.601 29.150 28.738 -0.315 0.000 1.295 222 Q HN 0.680 nan 8.270 nan 0.000 0.476 223 S N 0.529 116.324 115.700 0.159 0.000 2.593 223 S HA 0.081 4.548 4.470 -0.004 0.000 0.300 223 S C -0.378 174.238 174.600 0.027 0.000 1.267 223 S CA 0.695 58.916 58.200 0.035 0.000 1.065 223 S CB -0.135 63.089 63.200 0.040 0.000 0.807 223 S HN 0.672 nan 8.310 nan 0.000 0.499 224 T N 2.623 117.202 114.554 0.042 0.000 2.868 224 T HA 0.358 4.705 4.350 -0.004 0.000 0.306 224 T C -0.255 174.550 174.700 0.176 0.000 1.224 224 T CA -0.757 61.418 62.100 0.124 0.000 1.012 224 T CB 1.304 70.316 68.868 0.240 0.000 1.221 224 T HN 0.556 nan 8.240 nan 0.000 0.499 225 D N 1.329 121.821 120.400 0.153 0.000 2.349 225 D HA 0.170 4.807 4.640 -0.004 0.000 0.215 225 D C 0.526 176.914 176.300 0.147 0.000 1.016 225 D CA 0.387 54.472 54.000 0.141 0.000 0.870 225 D CB 0.239 41.059 40.800 0.033 0.000 0.917 225 D HN 0.375 nan 8.370 nan 0.000 0.524 226 S N 0.516 116.315 115.700 0.165 0.000 2.562 226 S HA 0.105 4.572 4.470 -0.004 0.000 0.281 226 S C 1.814 176.526 174.600 0.188 0.000 1.333 226 S CA -0.384 57.880 58.200 0.105 0.000 1.052 226 S CB 1.135 64.368 63.200 0.055 0.000 0.884 226 S HN 0.139 nan 8.310 nan 0.000 0.506 227 L N 2.842 124.117 121.223 0.085 0.000 2.187 227 L HA -0.163 4.175 4.340 -0.004 0.000 0.213 227 L C 2.123 179.049 176.870 0.093 0.000 1.100 227 L CA 0.958 55.864 54.840 0.109 0.000 0.765 227 L CB -0.854 41.203 42.059 -0.002 0.000 0.904 227 L HN 0.773 nan 8.230 nan 0.000 0.437 228 I N -2.406 118.169 120.570 0.008 0.000 2.623 228 I HA -0.297 3.870 4.170 -0.004 0.000 0.261 228 I C 2.231 178.289 176.117 -0.099 0.000 1.204 228 I CA 1.393 62.665 61.300 -0.047 0.000 1.444 228 I CB -0.476 37.451 38.000 -0.122 0.000 1.094 228 I HN 0.323 nan 8.210 nan 0.000 0.451 229 Q N -0.211 119.538 119.800 -0.084 0.000 2.319 229 Q HA 0.186 4.523 4.340 -0.004 0.000 0.202 229 Q C -0.662 175.033 176.000 -0.508 0.000 0.896 229 Q CA -0.126 55.547 55.803 -0.216 0.000 0.942 229 Q CB 0.357 28.913 28.738 -0.304 0.000 1.083 229 Q HN 0.601 nan 8.270 nan 0.000 0.510 230 Y N -1.031 119.103 120.300 -0.277 0.000 2.429 230 Y HA 0.438 4.985 4.550 -0.004 0.000 0.342 230 Y C -1.152 174.505 175.900 -0.405 0.000 1.004 230 Y CA -0.933 57.060 58.100 -0.179 0.000 1.075 230 Y CB 1.096 39.493 38.460 -0.105 0.000 1.214 230 Y HN 0.013 nan 8.280 nan 0.000 0.455 231 W N 1.856 123.301 121.300 0.241 0.000 2.839 231 W HA 0.346 5.003 4.660 -0.005 0.000 0.334 231 W C -0.724 175.964 176.519 0.282 0.000 1.064 231 W CA -0.840 56.626 57.345 0.201 0.000 1.236 231 W CB 1.317 30.836 29.460 0.099 0.000 1.405 231 W HN 0.378 nan 8.180 nan 0.000 0.478 232 N N 3.516 122.496 118.700 0.467 0.000 2.415 232 N HA 0.296 5.034 4.740 -0.004 0.000 0.246 232 N C -0.915 174.865 175.510 0.450 0.000 1.078 232 N CA -0.029 53.285 53.050 0.441 0.000 0.942 232 N CB 0.299 38.982 38.487 0.327 0.000 1.140 232 N HN 0.432 nan 8.380 nan 0.000 0.501 233 I N 2.895 123.690 120.570 0.376 0.000 2.337 233 I HA 0.219 4.387 4.170 -0.004 0.000 0.291 233 I C 0.371 176.583 176.117 0.159 0.000 1.046 233 I CA -0.445 60.951 61.300 0.160 0.000 1.324 233 I CB 0.412 38.318 38.000 -0.158 0.000 1.409 233 I HN 0.515 nan 8.210 nan 0.000 0.494 234 N N 4.743 123.562 118.700 0.197 0.000 2.380 234 N HA 0.395 5.133 4.740 -0.004 0.000 0.290 234 N C -1.036 174.500 175.510 0.043 0.000 1.236 234 N CA -0.587 52.525 53.050 0.102 0.000 0.780 234 N CB 1.712 40.360 38.487 0.269 0.000 1.438 234 N HN 0.135 nan 8.380 nan 0.000 0.491 235 Y N 0.532 120.850 120.300 0.029 0.000 2.314 235 Y HA 0.202 4.750 4.550 -0.004 0.000 0.334 235 Y C 0.901 176.793 175.900 -0.013 0.000 1.266 235 Y CA -0.390 57.624 58.100 -0.144 0.000 1.391 235 Y CB 0.338 38.678 38.460 -0.201 0.000 1.306 235 Y HN 0.325 nan 8.280 nan 0.000 0.558 236 L N 1.956 123.265 121.223 0.143 0.000 2.529 236 L HA -0.094 4.243 4.340 -0.004 0.000 0.287 236 L C 1.367 178.310 176.870 0.122 0.000 1.241 236 L CA 0.406 55.325 54.840 0.131 0.000 0.857 236 L CB -0.058 42.044 42.059 0.071 0.000 1.113 236 L HN 0.805 nan 8.230 nan 0.000 0.504 237 D N 1.863 122.345 120.400 0.136 0.000 2.133 237 D HA -0.241 4.396 4.640 -0.004 0.000 0.192 237 D C 0.979 177.317 176.300 0.062 0.000 1.001 237 D CA 1.973 56.039 54.000 0.111 0.000 0.844 237 D CB 0.157 41.029 40.800 0.119 0.000 0.944 237 D HN 0.642 nan 8.370 nan 0.000 0.447 238 N N -0.442 118.277 118.700 0.032 0.000 2.351 238 N HA 0.136 4.873 4.740 -0.004 0.000 0.254 238 N C -1.855 173.618 175.510 -0.061 0.000 1.241 238 N CA -0.252 52.788 53.050 -0.016 0.000 0.883 238 N CB 0.543 39.025 38.487 -0.008 0.000 1.202 238 N HN -0.023 nan 8.380 nan 0.000 0.512 239 D N -0.638 119.716 120.400 -0.076 0.000 2.470 239 D HA 0.314 4.951 4.640 -0.004 0.000 0.233 239 D C -0.116 176.049 176.300 -0.226 0.000 1.372 239 D CA -0.414 53.507 54.000 -0.132 0.000 0.994 239 D CB 1.238 41.987 40.800 -0.085 0.000 1.377 239 D HN 0.061 nan 8.370 nan 0.000 0.586 240 A N 2.292 124.870 122.820 -0.403 0.000 2.238 240 A HA 0.047 4.365 4.320 -0.004 0.000 0.208 240 A C 1.633 178.838 177.584 -0.632 0.000 1.177 240 A CA 0.940 52.466 52.037 -0.853 0.000 0.804 240 A CB -0.135 18.241 19.000 -1.040 0.000 0.823 240 A HN 0.450 nan 8.150 nan 0.000 0.482 241 S N -1.048 114.454 115.700 -0.330 0.000 2.548 241 S HA 0.232 4.699 4.470 -0.004 0.000 0.215 241 S C 0.508 175.032 174.600 -0.127 0.000 0.976 241 S CA -0.107 57.980 58.200 -0.189 0.000 0.908 241 S CB 0.015 63.144 63.200 -0.119 0.000 0.781 241 S HN 0.452 nan 8.310 nan 0.000 0.519 242 K N -0.089 120.201 120.400 -0.183 0.000 2.477 242 K HA 0.578 4.895 4.320 -0.004 0.000 0.255 242 K C -1.880 174.637 176.600 -0.138 0.000 0.952 242 K CA -0.718 55.532 56.287 -0.062 0.000 0.826 242 K CB 1.685 34.177 32.500 -0.014 0.000 1.331 242 K HN 0.138 nan 8.250 nan 0.000 0.437 243 Y N 0.834 121.227 120.300 0.156 0.000 2.524 243 Y HA 0.503 5.052 4.550 -0.003 0.000 0.344 243 Y C -0.132 175.860 175.900 0.153 0.000 1.012 243 Y CA -1.158 57.032 58.100 0.149 0.000 1.068 243 Y CB 1.391 39.906 38.460 0.092 0.000 1.249 243 Y HN 0.185 nan 8.280 nan 0.000 0.468 244 I N 3.542 124.259 120.570 0.245 0.000 2.569 244 I HA 0.346 4.514 4.170 -0.004 0.000 0.296 244 I C -1.162 174.929 176.117 -0.043 0.000 1.028 244 I CA -0.964 60.378 61.300 0.071 0.000 1.082 244 I CB 1.730 39.651 38.000 -0.132 0.000 1.264 244 I HN 0.426 nan 8.210 nan 0.000 0.429 245 L N 6.667 127.829 121.223 -0.101 0.000 2.318 245 L HA 0.384 4.721 4.340 -0.004 0.000 0.277 245 L C -0.802 176.140 176.870 0.120 0.000 1.008 245 L CA -0.273 54.570 54.840 0.004 0.000 0.846 245 L CB 0.769 42.715 42.059 -0.189 0.000 1.220 245 L HN 0.278 nan 8.230 nan 0.000 0.423 246 Y N 1.878 122.356 120.300 0.297 0.000 2.313 246 Y HA 0.283 4.830 4.550 -0.005 0.000 0.332 246 Y C 0.874 176.870 175.900 0.161 0.000 1.071 246 Y CA -0.315 57.905 58.100 0.200 0.000 1.169 246 Y CB 0.793 39.310 38.460 0.097 0.000 1.192 246 Y HN 0.516 nan 8.280 nan 0.000 0.487 247 N N 2.793 121.538 118.700 0.075 0.000 2.514 247 N HA 0.031 4.768 4.740 -0.004 0.000 0.277 247 N C 0.430 175.880 175.510 -0.100 0.000 1.126 247 N CA -0.124 52.712 53.050 -0.357 0.000 0.978 247 N CB 1.114 39.254 38.487 -0.579 0.000 1.106 247 N HN 0.701 nan 8.380 nan 0.000 0.461 248 L N 3.259 124.407 121.223 -0.125 0.000 2.201 248 L HA -0.110 4.227 4.340 -0.004 0.000 0.212 248 L C 2.438 179.322 176.870 0.022 0.000 1.105 248 L CA 1.199 56.031 54.840 -0.013 0.000 0.775 248 L CB -0.580 41.476 42.059 -0.005 0.000 0.913 248 L HN 0.663 nan 8.230 nan 0.000 0.440 249 Q N -0.087 119.749 119.800 0.059 0.000 2.124 249 Q HA -0.152 4.186 4.340 -0.004 0.000 0.202 249 Q C 0.044 176.147 176.000 0.172 0.000 0.977 249 Q CA 1.518 57.381 55.803 0.099 0.000 0.850 249 Q CB 0.064 28.852 28.738 0.083 0.000 0.901 249 Q HN 0.345 nan 8.270 nan 0.000 0.429 250 D N -1.700 118.854 120.400 0.257 0.000 2.319 250 D HA 0.073 4.711 4.640 -0.004 0.000 0.237 250 D C -0.294 176.080 176.300 0.125 0.000 1.353 250 D CA 0.368 54.489 54.000 0.202 0.000 0.992 250 D CB 0.671 41.662 40.800 0.319 0.000 1.368 250 D HN 0.148 nan 8.370 nan 0.000 0.564 251 T N 0.226 114.830 114.554 0.084 0.000 3.163 251 T HA 0.012 4.360 4.350 -0.004 0.000 0.260 251 T C 0.999 175.761 174.700 0.104 0.000 1.156 251 T CA 0.406 62.556 62.100 0.083 0.000 1.072 251 T CB -0.416 68.450 68.868 -0.004 0.000 0.937 251 T HN 0.297 nan 8.240 nan 0.000 0.528 252 N N 0.458 119.216 118.700 0.096 0.000 2.398 252 N HA 0.123 4.861 4.740 -0.004 0.000 0.188 252 N C 0.296 175.891 175.510 0.142 0.000 1.122 252 N CA -0.004 53.115 53.050 0.116 0.000 0.866 252 N CB 0.260 38.795 38.487 0.081 0.000 0.970 252 N HN 0.352 nan 8.380 nan 0.000 0.462 253 R N 0.703 121.262 120.500 0.099 0.000 2.740 253 R HA 0.566 4.904 4.340 -0.004 0.000 0.282 253 R C -0.861 175.437 176.300 -0.004 0.000 0.969 253 R CA -0.839 55.248 56.100 -0.021 0.000 0.918 253 R CB 2.239 32.399 30.300 -0.234 0.000 1.175 253 R HN -0.139 nan 8.270 nan 0.000 0.464 254 V N -0.446 119.460 119.914 -0.015 0.000 3.130 254 V HA 0.492 4.609 4.120 -0.004 0.000 0.310 254 V C -0.672 175.478 176.094 0.094 0.000 1.158 254 V CA -1.345 60.987 62.300 0.053 0.000 1.029 254 V CB 1.811 33.636 31.823 0.003 0.000 1.057 254 V HN 0.582 nan 8.190 nan 0.000 0.436 255 L N 2.944 124.265 121.223 0.162 0.000 2.534 255 L HA 0.540 4.878 4.340 -0.004 0.000 0.271 255 L C -0.245 176.829 176.870 0.340 0.000 1.178 255 L CA 1.435 56.333 54.840 0.096 0.000 0.907 255 L CB -0.371 41.471 42.059 -0.362 0.000 1.164 255 L HN 1.022 nan 8.230 nan 0.000 0.482 256 D N 3.014 123.598 120.400 0.307 0.000 2.570 256 D HA 0.433 5.071 4.640 -0.004 0.000 0.244 256 D C -1.539 174.925 176.300 0.274 0.000 1.178 256 D CA -0.288 53.865 54.000 0.254 0.000 0.881 256 D CB 2.366 43.244 40.800 0.130 0.000 1.453 256 D HN 0.182 nan 8.370 nan 0.000 0.447 257 V N 3.035 123.041 119.914 0.154 0.000 2.370 257 V HA 0.200 4.317 4.120 -0.004 0.000 0.283 257 V C -0.310 175.882 176.094 0.163 0.000 1.023 257 V CA -0.850 61.541 62.300 0.153 0.000 0.857 257 V CB 0.993 32.817 31.823 0.002 0.000 0.985 257 V HN 0.528 nan 8.190 nan 0.000 0.443 258 Y N 5.486 125.861 120.300 0.124 0.000 2.729 258 Y HA -0.044 4.504 4.550 -0.004 0.000 0.331 258 Y C 1.355 177.303 175.900 0.079 0.000 1.208 258 Y CA 0.843 59.021 58.100 0.129 0.000 1.521 258 Y CB -0.503 38.079 38.460 0.202 0.000 1.233 258 Y HN 0.907 nan 8.280 nan 0.000 0.539 259 N N 3.015 121.417 118.700 -0.497 0.000 2.681 259 N HA -0.331 4.407 4.740 -0.004 0.000 0.250 259 N C 0.065 175.463 175.510 -0.187 0.000 1.133 259 N CA 0.678 53.472 53.050 -0.427 0.000 0.732 259 N CB -0.825 37.304 38.487 -0.596 0.000 1.107 259 N HN 0.712 nan 8.380 nan 0.000 0.559 260 S N -1.378 114.254 115.700 -0.113 0.000 3.473 260 S HA -0.229 4.238 4.470 -0.004 0.000 0.339 260 S C 0.249 174.803 174.600 -0.077 0.000 1.148 260 S CA 1.024 59.169 58.200 -0.091 0.000 0.969 260 S CB -0.505 62.635 63.200 -0.102 0.000 0.936 260 S HN 0.411 nan 8.310 nan 0.000 0.530 261 Q N -0.040 119.733 119.800 -0.045 0.000 2.354 261 Q HA 0.445 4.783 4.340 -0.004 0.000 0.244 261 Q C 1.592 177.575 176.000 -0.028 0.000 0.969 261 Q CA 0.059 55.848 55.803 -0.024 0.000 0.885 261 Q CB 0.431 29.184 28.738 0.025 0.000 1.241 261 Q HN 0.714 nan 8.270 nan 0.000 0.461 262 I N -2.250 118.293 120.570 -0.045 0.000 4.139 262 I HA 0.376 4.543 4.170 -0.004 0.000 0.335 262 I C 0.630 176.703 176.117 -0.074 0.000 1.327 262 I CA -0.460 60.803 61.300 -0.062 0.000 1.112 262 I CB 0.509 38.462 38.000 -0.077 0.000 1.058 262 I HN 0.311 nan 8.210 nan 0.000 0.396 263 A N 2.229 125.006 122.820 -0.071 0.000 2.511 263 A HA 0.163 4.481 4.320 -0.004 0.000 0.242 263 A C 0.105 177.578 177.584 -0.186 0.000 1.069 263 A CA -0.052 51.912 52.037 -0.121 0.000 0.763 263 A CB -0.211 18.738 19.000 -0.085 0.000 1.001 263 A HN 0.474 nan 8.150 nan 0.000 0.498 264 N N 0.785 119.251 118.700 -0.389 0.000 2.294 264 N HA 0.210 4.948 4.740 -0.004 0.000 0.263 264 N C 1.266 176.552 175.510 -0.374 0.000 1.281 264 N CA 1.813 54.410 53.050 -0.754 0.000 0.846 264 N CB 0.605 38.067 38.487 -1.707 0.000 1.061 264 N HN 1.270 nan 8.380 nan 0.000 0.478 265 G N 1.080 109.903 108.800 0.037 0.000 2.213 265 G HA2 -0.276 3.681 3.960 -0.004 0.000 0.226 265 G HA3 -0.276 3.681 3.960 -0.004 0.000 0.226 265 G C 0.199 175.100 174.900 0.003 0.000 0.992 265 G CA 0.168 45.380 45.100 0.186 0.000 0.632 265 G HN 0.623 nan 8.290 nan 0.000 0.511 266 T N 3.342 117.909 114.554 0.022 0.000 2.871 266 T HA 0.251 4.599 4.350 -0.004 0.000 0.296 266 T C 0.525 175.253 174.700 0.048 0.000 0.998 266 T CA 0.054 62.187 62.100 0.056 0.000 1.162 266 T CB 0.216 69.142 68.868 0.097 0.000 0.947 266 T HN 0.300 nan 8.240 nan 0.000 0.536 267 H N 2.054 121.150 119.070 0.043 0.000 3.001 267 H HA 0.095 4.649 4.556 -0.004 0.000 0.334 267 H C 0.195 175.595 175.328 0.120 0.000 1.034 267 H CA 0.102 56.117 56.048 -0.055 0.000 1.420 267 H CB 0.413 29.996 29.762 -0.299 0.000 1.405 267 H HN 0.247 nan 8.280 nan 0.000 0.593 268 V N 6.199 126.264 119.914 0.251 0.000 2.539 268 V HA 0.320 4.437 4.120 -0.004 0.000 0.292 268 V C 0.869 177.130 176.094 0.279 0.000 1.045 268 V CA -0.343 62.117 62.300 0.266 0.000 0.945 268 V CB 1.306 33.252 31.823 0.206 0.000 0.993 268 V HN 0.618 nan 8.190 nan 0.000 0.464 269 I N 1.633 122.362 120.570 0.265 0.000 3.343 269 I HA 0.803 4.970 4.170 -0.004 0.000 0.315 269 I C -1.258 174.921 176.117 0.102 0.000 1.153 269 I CA -1.113 60.331 61.300 0.241 0.000 0.952 269 I CB 2.464 40.634 38.000 0.284 0.000 1.287 269 I HN 0.234 nan 8.210 nan 0.000 0.472 270 V N 1.986 121.858 119.914 -0.070 0.000 2.448 270 V HA 0.578 4.695 4.120 -0.004 0.000 0.295 270 V C -0.966 174.963 176.094 -0.274 0.000 1.025 270 V CA -0.010 62.084 62.300 -0.344 0.000 0.859 270 V CB 1.257 32.394 31.823 -1.143 0.000 0.988 270 V HN 0.760 nan 8.190 nan 0.000 0.431 271 D N 1.682 121.987 120.400 -0.158 0.000 2.583 271 D HA 0.408 5.046 4.640 -0.004 0.000 0.248 271 D C -0.276 175.981 176.300 -0.071 0.000 1.209 271 D CA -0.288 53.672 54.000 -0.067 0.000 0.848 271 D CB 2.492 43.306 40.800 0.022 0.000 1.431 271 D HN 0.572 nan 8.370 nan 0.000 0.436 272 S N 0.758 116.425 115.700 -0.056 0.000 2.552 272 S HA 0.045 4.512 4.470 -0.004 0.000 0.289 272 S C 0.185 174.632 174.600 -0.254 0.000 1.304 272 S CA -0.457 57.676 58.200 -0.112 0.000 1.063 272 S CB 0.006 63.139 63.200 -0.111 0.000 0.848 272 S HN 0.402 nan 8.310 nan 0.000 0.499 273 Y N 3.325 123.473 120.300 -0.253 0.000 2.620 273 Y HA 0.054 4.601 4.550 -0.005 0.000 0.330 273 Y C 1.082 176.696 175.900 -0.478 0.000 1.186 273 Y CA 0.655 58.630 58.100 -0.208 0.000 1.467 273 Y CB 0.231 38.704 38.460 0.022 0.000 1.262 273 Y HN 0.848 nan 8.280 nan 0.000 0.550 274 H N 3.384 121.991 119.070 -0.771 0.000 3.583 274 H HA 0.188 4.741 4.556 -0.005 0.000 0.251 274 H C 1.581 176.364 175.328 -0.909 0.000 1.060 274 H CA 0.442 56.075 56.048 -0.692 0.000 1.159 274 H CB 0.874 30.467 29.762 -0.282 0.000 1.496 274 H HN 0.920 nan 8.280 nan 0.000 0.540 275 G N 1.747 109.988 108.800 -0.932 0.000 2.141 275 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.242 275 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.242 275 G C 0.142 174.944 174.900 -0.164 0.000 0.982 275 G CA 0.206 45.036 45.100 -0.450 0.000 0.662 275 G HN 0.252 nan 8.290 nan 0.000 0.527 276 N N 0.207 118.814 118.700 -0.156 0.000 2.317 276 N HA 0.369 5.106 4.740 -0.004 0.000 0.245 276 N C 2.053 177.491 175.510 -0.120 0.000 1.294 276 N CA 0.657 53.641 53.050 -0.110 0.000 0.924 276 N CB 0.249 38.677 38.487 -0.098 0.000 1.186 276 N HN 0.380 nan 8.380 nan 0.000 0.495 277 T N -2.063 112.416 114.554 -0.125 0.000 2.881 277 T HA -0.163 4.184 4.350 -0.004 0.000 0.270 277 T C 1.145 175.702 174.700 -0.238 0.000 1.068 277 T CA 1.080 63.082 62.100 -0.163 0.000 1.131 277 T CB -0.376 68.403 68.868 -0.149 0.000 0.871 277 T HN 0.591 nan 8.240 nan 0.000 0.479 278 N N 1.679 120.257 118.700 -0.205 0.000 2.443 278 N HA -0.147 4.590 4.740 -0.004 0.000 0.184 278 N C 1.475 176.825 175.510 -0.266 0.000 1.037 278 N CA 0.798 53.707 53.050 -0.235 0.000 0.896 278 N CB -0.367 38.039 38.487 -0.135 0.000 0.959 278 N HN 0.591 nan 8.380 nan 0.000 0.442 279 Q N -0.213 119.468 119.800 -0.199 0.000 2.282 279 Q HA 0.186 4.524 4.340 -0.004 0.000 0.206 279 Q C -0.199 175.733 176.000 -0.115 0.000 0.878 279 Q CA -0.063 55.689 55.803 -0.085 0.000 0.944 279 Q CB 0.587 29.310 28.738 -0.025 0.000 1.100 279 Q HN 0.482 nan 8.270 nan 0.000 0.509 280 Q N -0.052 119.553 119.800 -0.324 0.000 2.271 280 Q HA 0.330 4.668 4.340 -0.004 0.000 0.258 280 Q C -1.388 174.315 176.000 -0.496 0.000 0.936 280 Q CA -0.253 55.417 55.803 -0.222 0.000 0.909 280 Q CB 1.180 29.829 28.738 -0.147 0.000 1.253 280 Q HN 0.092 nan 8.270 nan 0.000 0.440 281 W N 2.422 123.730 121.300 0.012 0.000 2.819 281 W HA 0.548 5.205 4.660 -0.004 0.000 0.337 281 W C -0.692 175.890 176.519 0.104 0.000 1.077 281 W CA -0.481 56.862 57.345 -0.003 0.000 1.226 281 W CB 1.133 30.553 29.460 -0.066 0.000 1.419 281 W HN 0.395 nan 8.180 nan 0.000 0.502 282 I N 4.310 125.033 120.570 0.255 0.000 2.328 282 I HA 0.326 4.494 4.170 -0.004 0.000 0.287 282 I C -0.391 175.834 176.117 0.180 0.000 1.012 282 I CA -0.655 60.786 61.300 0.235 0.000 1.195 282 I CB 0.444 38.497 38.000 0.089 0.000 1.350 282 I HN 0.201 nan 8.210 nan 0.000 0.464 283 I N 6.854 127.497 120.570 0.123 0.000 2.336 283 I HA 0.361 4.529 4.170 -0.004 0.000 0.292 283 I C -0.129 175.989 176.117 0.003 0.000 0.991 283 I CA -0.369 60.863 61.300 -0.113 0.000 1.227 283 I CB 0.898 38.525 38.000 -0.622 0.000 1.366 283 I HN 0.565 nan 8.210 nan 0.000 0.466 284 N N 5.187 123.897 118.700 0.018 0.000 2.284 284 N HA 0.463 5.200 4.740 -0.004 0.000 0.289 284 N C -1.146 174.366 175.510 0.003 0.000 1.179 284 N CA -0.714 52.351 53.050 0.025 0.000 0.774 284 N CB 2.579 41.083 38.487 0.028 0.000 1.548 284 N HN 0.213 nan 8.380 nan 0.000 0.473 285 L N 2.159 123.384 121.223 0.004 0.000 2.416 285 L HA 0.243 4.581 4.340 -0.004 0.000 0.272 285 L C 0.975 177.839 176.870 -0.010 0.000 1.161 285 L CA -0.071 54.770 54.840 0.002 0.000 0.845 285 L CB 0.113 42.177 42.059 0.009 0.000 1.119 285 L HN 0.407 nan 8.230 nan 0.000 0.464 286 I N 0.000 120.572 120.570 0.004 0.000 2.984 286 I HA 0.000 4.167 4.170 -0.004 0.000 0.288 286 I CA 0.000 61.303 61.300 0.005 0.000 1.566 286 I CB 0.000 38.029 38.000 0.048 0.000 1.214 286 I HN 0.000 nan 8.210 nan 0.000 0.494