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 2xq6_1_D DATA FIRST_RESID 7 DATA SEQUENCE PPPIADEPLT VNTGIYLIEC YSLDDKAETF KVNAFLSLSW KDRRLAFDPV DATA SEQUENCE RSGVRVKTYE PEAIWIPEIR FVNVENARDA DVVDISVSPD GTVQYLERFS DATA SEQUENCE ARVLSPLDFR RYPFDSQTLH IYLIVRSVDT RNIVLAVDLE KVGKNDDVFL DATA SEQUENCE TGWDIESFTA VVKPANFALE DRLESKLDYQ LRISRQYFSY IPNIILPMLF DATA SEQUENCE ILFISWTAFW STSYEANVTL VVSTLIAHIA FNILVETNLP KTPYMTYTGA DATA SEQUENCE IIFMIYLFYF VAVIEVTVQH YLKVESQPAR AASITRASRI AFPVVFLLAN DATA SEQUENCE IILAFLFFGF 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.171 177.300 -0.215 0.000 1.155 7 P CA 0.000 63.137 63.100 0.062 0.000 0.800 7 P CB 0.000 31.756 31.700 0.094 0.000 0.726 8 P HA 0.176 nan 4.420 nan 0.000 0.271 8 P C -2.332 174.455 177.300 -0.854 0.000 1.218 8 P CA -1.205 61.059 63.100 -1.394 0.000 0.780 8 P CB -0.271 30.916 31.700 -0.856 0.000 0.901 9 P HA 0.167 nan 4.420 nan 0.000 0.269 9 P C 0.255 177.383 177.300 -0.288 0.000 1.263 9 P CA -0.014 62.837 63.100 -0.415 0.000 0.813 9 P CB -0.044 31.489 31.700 -0.280 0.000 0.868 10 I N 2.594 123.046 120.570 -0.196 0.000 2.907 10 I HA -0.008 4.169 4.170 0.011 0.000 0.285 10 I C 1.242 177.299 176.117 -0.100 0.000 1.189 10 I CA 0.319 61.537 61.300 -0.136 0.000 1.376 10 I CB -0.351 37.593 38.000 -0.094 0.000 1.420 10 I HN 0.363 nan 8.210 nan 0.000 0.544 11 A N 5.816 128.577 122.820 -0.099 0.000 2.452 11 A HA 0.527 4.854 4.320 0.011 0.000 0.285 11 A C 0.460 178.015 177.584 -0.049 0.000 1.209 11 A CA -0.509 51.487 52.037 -0.068 0.000 0.940 11 A CB 0.802 19.758 19.000 -0.072 0.000 1.440 11 A HN 0.681 nan 8.150 nan 0.000 0.480 12 D N -1.228 119.151 120.400 -0.035 0.000 2.489 12 D HA 0.209 4.856 4.640 0.011 0.000 0.231 12 D C -0.250 176.034 176.300 -0.026 0.000 1.114 12 D CA 0.428 54.411 54.000 -0.028 0.000 0.842 12 D CB 0.852 41.640 40.800 -0.020 0.000 1.133 12 D HN 0.433 nan 8.370 nan 0.000 0.506 13 E N 0.032 120.217 120.200 -0.026 0.000 2.460 13 E HA 0.375 4.731 4.350 0.011 0.000 0.277 13 E C -2.658 173.927 176.600 -0.025 0.000 1.010 13 E CA -1.943 54.444 56.400 -0.023 0.000 0.838 13 E CB 0.777 30.468 29.700 -0.015 0.000 1.448 13 E HN -0.290 nan 8.360 nan 0.000 0.462 14 P HA 0.010 nan 4.420 nan 0.000 0.256 14 P C -0.244 177.051 177.300 -0.008 0.000 1.189 14 P CA -0.019 63.069 63.100 -0.019 0.000 0.808 14 P CB -0.191 31.501 31.700 -0.015 0.000 0.793 15 L N 4.371 125.586 121.223 -0.013 0.000 2.534 15 L HA 0.113 4.460 4.340 0.011 0.000 0.271 15 L C 0.176 177.071 176.870 0.042 0.000 1.178 15 L CA 0.887 55.735 54.840 0.015 0.000 0.907 15 L CB -0.105 41.949 42.059 -0.009 0.000 1.164 15 L HN 0.190 nan 8.230 nan 0.000 0.482 16 T N 4.928 119.522 114.554 0.067 0.000 2.832 16 T HA 0.398 4.755 4.350 0.011 0.000 0.296 16 T C -0.336 174.447 174.700 0.138 0.000 0.968 16 T CA -0.247 61.900 62.100 0.079 0.000 1.107 16 T CB 0.635 69.543 68.868 0.067 0.000 0.916 16 T HN 0.457 nan 8.240 nan 0.000 0.517 17 V N 5.994 125.980 119.914 0.121 0.000 2.417 17 V HA 0.370 4.497 4.120 0.011 0.000 0.291 17 V C 0.056 176.242 176.094 0.153 0.000 1.024 17 V CA -1.035 61.369 62.300 0.174 0.000 0.861 17 V CB 1.678 33.553 31.823 0.086 0.000 0.985 17 V HN 0.780 nan 8.190 nan 0.000 0.436 18 N N 3.344 122.159 118.700 0.193 0.000 2.457 18 N HA 0.355 5.102 4.740 0.011 0.000 0.250 18 N C 0.168 175.778 175.510 0.167 0.000 0.982 18 N CA -0.166 52.974 53.050 0.150 0.000 0.941 18 N CB 2.055 40.618 38.487 0.126 0.000 1.120 18 N HN 0.839 nan 8.380 nan 0.000 0.505 19 T N -0.965 113.685 114.554 0.160 0.000 2.884 19 T HA 0.842 5.198 4.350 0.011 0.000 0.277 19 T C 0.507 175.339 174.700 0.219 0.000 0.976 19 T CA -0.865 61.349 62.100 0.190 0.000 0.956 19 T CB 1.861 70.850 68.868 0.203 0.000 1.113 19 T HN 0.448 nan 8.240 nan 0.000 0.554 20 G N -0.148 108.787 108.800 0.225 0.000 2.387 20 G HA2 0.467 4.433 3.960 0.011 0.000 0.309 20 G HA3 0.467 4.433 3.960 0.011 0.000 0.309 20 G C -1.604 173.383 174.900 0.144 0.000 1.641 20 G CA -0.964 44.267 45.100 0.219 0.000 0.904 20 G HN 0.863 nan 8.290 nan 0.000 0.661 21 I N 1.754 122.358 120.570 0.058 0.000 2.418 21 I HA 0.291 4.468 4.170 0.011 0.000 0.287 21 I C -1.126 175.165 176.117 0.290 0.000 1.008 21 I CA -0.887 60.498 61.300 0.143 0.000 1.104 21 I CB 2.278 40.241 38.000 -0.062 0.000 1.264 21 I HN 0.581 nan 8.210 nan 0.000 0.438 22 Y N 7.472 127.934 120.300 0.269 0.000 2.931 22 Y HA 0.419 4.976 4.550 0.011 0.000 0.330 22 Y C 0.067 176.029 175.900 0.103 0.000 1.115 22 Y CA -0.622 57.610 58.100 0.221 0.000 1.283 22 Y CB 0.409 39.043 38.460 0.290 0.000 1.215 22 Y HN 0.396 nan 8.280 nan 0.000 0.534 23 L N 6.638 127.854 121.223 -0.011 0.000 2.771 23 L HA -0.182 4.164 4.340 0.011 0.000 0.278 23 L C 0.980 177.729 176.870 -0.201 0.000 1.175 23 L CA 0.754 55.537 54.840 -0.095 0.000 0.973 23 L CB 0.132 42.142 42.059 -0.082 0.000 1.286 23 L HN 0.749 nan 8.230 nan 0.000 0.481 24 I N 0.992 121.469 120.570 -0.156 0.000 2.556 24 I HA 0.045 4.222 4.170 0.011 0.000 0.251 24 I C 0.972 177.050 176.117 -0.066 0.000 1.105 24 I CA 0.850 62.076 61.300 -0.124 0.000 1.436 24 I CB 0.171 38.037 38.000 -0.223 0.000 1.139 24 I HN 0.565 nan 8.210 nan 0.000 0.438 25 E N -0.245 119.936 120.200 -0.032 0.000 2.288 25 E HA 0.427 4.783 4.350 0.011 0.000 0.268 25 E C -1.664 175.046 176.600 0.183 0.000 0.885 25 E CA -0.473 55.981 56.400 0.090 0.000 0.767 25 E CB 2.744 32.491 29.700 0.079 0.000 1.220 25 E HN -0.013 nan 8.360 nan 0.000 0.427 26 C N 2.958 122.413 119.300 0.257 0.000 2.482 26 C HA 0.793 5.259 4.460 0.011 0.000 0.317 26 C C -1.424 173.759 174.990 0.322 0.000 1.197 26 C CA -0.530 58.606 59.018 0.198 0.000 1.432 26 C CB -0.206 27.555 27.740 0.035 0.000 2.062 26 C HN 0.730 nan 8.230 nan 0.000 0.471 27 Y N 0.120 120.427 120.300 0.012 0.000 2.677 27 Y HA 0.608 5.164 4.550 0.011 0.000 0.334 27 Y C 0.250 176.141 175.900 -0.016 0.000 1.196 27 Y CA -0.854 57.220 58.100 -0.043 0.000 1.059 27 Y CB 0.525 38.957 38.460 -0.046 0.000 1.315 27 Y HN 0.469 nan 8.280 nan 0.000 0.455 28 S N 0.990 116.736 115.700 0.077 0.000 3.524 28 S HA -0.222 4.255 4.470 0.011 0.000 0.377 28 S C -0.472 174.132 174.600 0.006 0.000 0.949 28 S CA 0.605 58.830 58.200 0.042 0.000 1.264 28 S CB -1.090 62.159 63.200 0.081 0.000 0.918 28 S HN 0.718 nan 8.310 nan 0.000 0.517 29 L N 1.956 123.178 121.223 -0.003 0.000 2.418 29 L HA 0.237 4.584 4.340 0.011 0.000 0.274 29 L C 0.240 177.162 176.870 0.087 0.000 1.135 29 L CA 0.051 54.880 54.840 -0.019 0.000 0.870 29 L CB 0.510 42.399 42.059 -0.283 0.000 1.154 29 L HN 0.180 nan 8.230 nan 0.000 0.462 30 D N 3.636 124.093 120.400 0.095 0.000 2.485 30 D HA 0.105 4.752 4.640 0.011 0.000 0.229 30 D C 0.586 176.990 176.300 0.173 0.000 1.101 30 D CA -0.284 53.789 54.000 0.121 0.000 0.906 30 D CB 1.113 41.960 40.800 0.078 0.000 1.019 30 D HN 0.612 nan 8.370 nan 0.000 0.516 31 D N 1.662 122.217 120.400 0.258 0.000 2.133 31 D HA -0.191 4.456 4.640 0.011 0.000 0.195 31 D C 1.825 178.283 176.300 0.264 0.000 0.997 31 D CA 1.098 55.339 54.000 0.402 0.000 0.840 31 D CB 0.487 41.554 40.800 0.444 0.000 0.947 31 D HN 0.247 nan 8.370 nan 0.000 0.452 32 K N 0.127 120.587 120.400 0.099 0.000 2.002 32 K HA -0.002 4.325 4.320 0.011 0.000 0.209 32 K C 2.024 178.660 176.600 0.060 0.000 1.048 32 K CA 1.174 57.472 56.287 0.018 0.000 0.930 32 K CB -0.251 32.240 32.500 -0.015 0.000 0.714 32 K HN 0.145 nan 8.250 nan 0.000 0.438 33 A N 0.781 123.646 122.820 0.075 0.000 2.123 33 A HA -0.049 4.277 4.320 0.011 0.000 0.214 33 A C -0.057 177.584 177.584 0.095 0.000 1.152 33 A CA 0.477 52.554 52.037 0.067 0.000 0.728 33 A CB -0.075 18.952 19.000 0.046 0.000 0.814 33 A HN 0.459 nan 8.150 nan 0.000 0.464 34 E N 0.290 120.573 120.200 0.140 0.000 2.257 34 E HA -0.159 4.198 4.350 0.011 0.000 0.217 34 E C -0.036 176.633 176.600 0.116 0.000 1.248 34 E CA 0.645 57.135 56.400 0.150 0.000 0.691 34 E CB -2.572 27.226 29.700 0.163 0.000 1.185 34 E HN 0.821 nan 8.360 nan 0.000 0.377 35 T N -1.812 112.809 114.554 0.112 0.000 2.841 35 T HA 0.830 5.187 4.350 0.011 0.000 0.296 35 T C -0.704 174.098 174.700 0.170 0.000 1.166 35 T CA -0.861 61.302 62.100 0.104 0.000 1.007 35 T CB 2.216 71.093 68.868 0.015 0.000 1.253 35 T HN 0.451 nan 8.240 nan 0.000 0.511 36 F N -1.412 118.453 119.950 -0.143 0.000 2.678 36 F HA 0.826 5.360 4.527 0.011 0.000 0.308 36 F C -1.414 174.210 175.800 -0.293 0.000 1.118 36 F CA -1.349 56.515 58.000 -0.227 0.000 0.959 36 F CB 1.281 40.114 39.000 -0.278 0.000 1.305 36 F HN 0.708 nan 8.300 nan 0.000 0.443 37 K N 1.834 121.929 120.400 -0.507 0.000 2.110 37 K HA 0.773 5.099 4.320 0.011 0.000 0.263 37 K C -1.497 174.576 176.600 -0.878 0.000 0.975 37 K CA -1.188 54.626 56.287 -0.788 0.000 0.895 37 K CB 2.322 34.278 32.500 -0.906 0.000 1.060 37 K HN 0.647 nan 8.250 nan 0.000 0.448 38 V N 2.546 122.100 119.914 -0.600 0.000 2.733 38 V HA 0.359 4.486 4.120 0.011 0.000 0.306 38 V C -1.727 174.233 176.094 -0.223 0.000 1.084 38 V CA -0.713 61.405 62.300 -0.304 0.000 0.905 38 V CB 1.986 33.716 31.823 -0.155 0.000 1.010 38 V HN 0.809 nan 8.190 nan 0.000 0.424 39 N N 4.604 123.253 118.700 -0.086 0.000 2.372 39 N HA 0.893 5.640 4.740 0.011 0.000 0.291 39 N C -0.699 174.583 175.510 -0.379 0.000 1.024 39 N CA 0.394 53.303 53.050 -0.235 0.000 0.873 39 N CB 1.982 40.440 38.487 -0.047 0.000 1.206 39 N HN 1.147 nan 8.380 nan 0.000 0.486 40 A N 2.037 124.447 122.820 -0.684 0.000 2.601 40 A HA 0.584 4.911 4.320 0.011 0.000 0.291 40 A C -1.600 175.789 177.584 -0.325 0.000 1.075 40 A CA -0.612 51.129 52.037 -0.493 0.000 0.671 40 A CB 0.477 19.280 19.000 -0.329 0.000 1.277 40 A HN 0.393 nan 8.150 nan 0.000 0.417 41 F N -0.056 119.944 119.950 0.084 0.000 2.389 41 F HA 0.606 5.140 4.527 0.011 0.000 0.337 41 F C 0.178 176.195 175.800 0.362 0.000 1.112 41 F CA -0.779 57.334 58.000 0.188 0.000 1.192 41 F CB 1.603 40.711 39.000 0.180 0.000 1.185 41 F HN 0.364 nan 8.300 nan 0.000 0.552 42 L N 2.651 124.229 121.223 0.592 0.000 2.377 42 L HA 0.464 4.810 4.340 0.011 0.000 0.270 42 L C -0.790 176.259 176.870 0.298 0.000 0.991 42 L CA -0.251 54.861 54.840 0.453 0.000 0.851 42 L CB 0.956 43.293 42.059 0.464 0.000 1.218 42 L HN 0.434 nan 8.230 nan 0.000 0.420 43 S N 6.213 122.057 115.700 0.241 0.000 2.438 43 S HA 0.762 5.239 4.470 0.011 0.000 0.293 43 S C -0.279 174.471 174.600 0.250 0.000 1.141 43 S CA -0.533 57.779 58.200 0.187 0.000 1.080 43 S CB 0.756 64.030 63.200 0.123 0.000 0.978 43 S HN 0.539 nan 8.310 nan 0.000 0.479 44 L N 2.321 123.755 121.223 0.353 0.000 2.301 44 L HA 0.855 5.202 4.340 0.011 0.000 0.264 44 L C -0.053 177.016 176.870 0.331 0.000 1.016 44 L CA -0.635 54.417 54.840 0.353 0.000 0.821 44 L CB 2.113 44.398 42.059 0.376 0.000 1.346 44 L HN 0.806 nan 8.230 nan 0.000 0.429 45 S N -0.273 115.645 115.700 0.363 0.000 2.558 45 S HA 0.730 5.206 4.470 0.011 0.000 0.277 45 S C -1.863 172.975 174.600 0.396 0.000 1.143 45 S CA -0.902 57.434 58.200 0.226 0.000 0.865 45 S CB 1.340 64.572 63.200 0.054 0.000 1.102 45 S HN 0.795 nan 8.310 nan 0.000 0.454 46 W N 0.856 122.193 121.300 0.061 0.000 3.059 46 W HA 0.676 5.342 4.660 0.011 0.000 0.329 46 W C -1.794 174.750 176.519 0.043 0.000 1.246 46 W CA -0.979 56.404 57.345 0.063 0.000 1.190 46 W CB 0.616 30.144 29.460 0.113 0.000 1.423 46 W HN 0.896 nan 8.180 nan 0.000 0.571 47 K N 1.757 122.282 120.400 0.208 0.000 2.262 47 K HA 0.326 4.653 4.320 0.011 0.000 0.282 47 K C -0.868 175.837 176.600 0.176 0.000 1.066 47 K CA -0.316 56.015 56.287 0.074 0.000 0.901 47 K CB 1.618 34.144 32.500 0.043 0.000 1.089 47 K HN 0.441 nan 8.250 nan 0.000 0.476 48 D N 4.605 125.051 120.400 0.077 0.000 2.634 48 D HA 0.084 4.731 4.640 0.011 0.000 0.318 48 D C 0.996 177.302 176.300 0.009 0.000 1.226 48 D CA -0.636 53.438 54.000 0.123 0.000 0.899 48 D CB 0.446 41.382 40.800 0.227 0.000 1.025 48 D HN 0.714 nan 8.370 nan 0.000 0.501 49 R N 0.574 121.073 120.500 -0.001 0.000 2.294 49 R HA -0.180 4.166 4.340 0.011 0.000 0.250 49 R C 1.643 177.934 176.300 -0.014 0.000 1.181 49 R CA 0.665 56.755 56.100 -0.017 0.000 1.016 49 R CB -0.348 29.947 30.300 -0.009 0.000 0.869 49 R HN 0.150 nan 8.270 nan 0.000 0.476 50 R N 1.666 122.159 120.500 -0.011 0.000 2.237 50 R HA -0.006 4.341 4.340 0.011 0.000 0.219 50 R C 1.345 177.644 176.300 -0.001 0.000 1.080 50 R CA 1.017 57.112 56.100 -0.008 0.000 0.995 50 R CB 0.010 30.299 30.300 -0.017 0.000 0.875 50 R HN 0.496 nan 8.270 nan 0.000 0.462 51 L N -3.090 118.120 121.223 -0.022 0.000 3.288 51 L HA 0.599 4.946 4.340 0.011 0.000 0.293 51 L C -0.097 176.740 176.870 -0.055 0.000 1.294 51 L CA -0.800 54.032 54.840 -0.014 0.000 1.006 51 L CB 0.845 42.864 42.059 -0.068 0.000 1.407 51 L HN -0.180 nan 8.230 nan 0.000 0.592 52 A N 1.360 124.156 122.820 -0.041 0.000 2.466 52 A HA 0.490 4.817 4.320 0.011 0.000 0.238 52 A C 0.061 177.737 177.584 0.153 0.000 1.074 52 A CA 0.178 52.189 52.037 -0.043 0.000 0.774 52 A CB 0.084 19.083 19.000 -0.001 0.000 1.015 52 A HN 0.654 nan 8.150 nan 0.000 0.498 53 F N -0.010 119.960 119.950 0.034 0.000 2.453 53 F HA 0.336 4.870 4.527 0.011 0.000 0.382 53 F C -0.413 175.400 175.800 0.022 0.000 1.495 53 F CA -1.690 56.333 58.000 0.038 0.000 1.071 53 F CB -1.674 37.364 39.000 0.062 0.000 1.577 53 F HN 0.682 nan 8.300 nan 0.000 0.508 54 D N 0.673 121.228 120.400 0.258 0.000 3.142 54 D HA -0.216 4.431 4.640 0.011 0.000 0.221 54 D C -1.710 174.550 176.300 -0.066 0.000 1.193 54 D CA 0.685 54.726 54.000 0.069 0.000 0.900 54 D CB -1.019 39.797 40.800 0.027 0.000 0.886 54 D HN 0.343 nan 8.370 nan 0.000 0.399 55 P HA -0.346 nan 4.420 nan 0.000 0.214 55 P C 1.644 178.869 177.300 -0.125 0.000 1.164 55 P CA 1.617 64.654 63.100 -0.106 0.000 0.942 55 P CB 0.037 31.738 31.700 0.002 0.000 0.791 56 V N 1.143 121.016 119.914 -0.067 0.000 2.261 56 V HA -0.234 3.892 4.120 0.011 0.000 0.246 56 V C 2.837 178.889 176.094 -0.070 0.000 1.047 56 V CA 2.123 64.388 62.300 -0.058 0.000 1.015 56 V CB -1.293 30.511 31.823 -0.031 0.000 0.642 56 V HN 0.037 nan 8.190 nan 0.000 0.446 57 R N 1.371 121.834 120.500 -0.063 0.000 2.154 57 R HA -0.112 4.235 4.340 0.011 0.000 0.248 57 R C 1.087 177.339 176.300 -0.080 0.000 1.155 57 R CA 1.635 57.701 56.100 -0.057 0.000 0.979 57 R CB -0.719 29.558 30.300 -0.039 0.000 0.869 57 R HN 0.733 nan 8.270 nan 0.000 0.452 58 S N -3.107 112.514 115.700 -0.131 0.000 2.615 58 S HA 0.534 5.011 4.470 0.011 0.000 0.269 58 S C 0.611 175.081 174.600 -0.216 0.000 1.161 58 S CA -0.239 57.871 58.200 -0.150 0.000 0.817 58 S CB 1.792 64.908 63.200 -0.140 0.000 1.131 58 S HN 0.339 nan 8.310 nan 0.000 0.467 59 G N 0.814 109.506 108.800 -0.180 0.000 2.698 59 G HA2 -0.151 3.815 3.960 0.011 0.000 0.346 59 G HA3 -0.151 3.815 3.960 0.011 0.000 0.346 59 G C 0.512 175.304 174.900 -0.181 0.000 1.287 59 G CA 2.539 47.527 45.100 -0.186 0.000 0.990 59 G HN 2.270 nan 8.290 nan 0.000 0.545 60 V N -4.018 115.766 119.914 -0.216 0.000 3.080 60 V HA 0.763 4.890 4.120 0.011 0.000 0.311 60 V C 1.539 177.564 176.094 -0.115 0.000 1.389 60 V CA 0.547 62.765 62.300 -0.137 0.000 1.049 60 V CB 1.054 32.831 31.823 -0.076 0.000 1.078 60 V HN 0.946 nan 8.190 nan 0.000 0.468 61 R N -0.490 119.996 120.500 -0.023 0.000 2.112 61 R HA -0.018 4.329 4.340 0.011 0.000 0.242 61 R C 0.006 176.418 176.300 0.186 0.000 1.137 61 R CA 2.366 58.496 56.100 0.051 0.000 0.944 61 R CB -0.120 30.200 30.300 0.034 0.000 0.857 61 R HN 0.690 nan 8.270 nan 0.000 0.435 62 V N 0.454 120.477 119.914 0.183 0.000 2.808 62 V HA 0.198 4.325 4.120 0.011 0.000 0.308 62 V C -1.285 174.945 176.094 0.227 0.000 1.099 62 V CA -1.073 61.395 62.300 0.280 0.000 0.920 62 V CB 1.850 33.739 31.823 0.110 0.000 1.014 62 V HN 0.089 nan 8.190 nan 0.000 0.425 63 K N 2.044 122.654 120.400 0.350 0.000 2.240 63 K HA 0.530 4.857 4.320 0.011 0.000 0.271 63 K C -0.245 176.311 176.600 -0.074 0.000 1.018 63 K CA 0.089 56.458 56.287 0.137 0.000 0.874 63 K CB 1.440 34.113 32.500 0.288 0.000 1.098 63 K HN 0.704 nan 8.250 nan 0.000 0.458 64 T N 4.686 119.161 114.554 -0.132 0.000 2.761 64 T HA 0.243 4.600 4.350 0.011 0.000 0.296 64 T C -0.824 173.761 174.700 -0.192 0.000 0.934 64 T CA 0.234 62.278 62.100 -0.094 0.000 1.091 64 T CB -0.138 68.699 68.868 -0.052 0.000 0.896 64 T HN 0.398 nan 8.240 nan 0.000 0.515 65 Y N 1.491 121.818 120.300 0.045 0.000 2.631 65 Y HA 0.567 5.124 4.550 0.011 0.000 0.328 65 Y C 0.606 176.540 175.900 0.057 0.000 1.118 65 Y CA -1.179 56.955 58.100 0.056 0.000 1.206 65 Y CB 1.304 39.802 38.460 0.064 0.000 1.337 65 Y HN 0.436 nan 8.280 nan 0.000 0.515 66 E N 0.916 121.282 120.200 0.278 0.000 2.212 66 E HA 0.340 4.696 4.350 0.011 0.000 0.270 66 E C -2.041 174.661 176.600 0.171 0.000 0.956 66 E CA -2.351 54.155 56.400 0.176 0.000 0.825 66 E CB 1.411 31.189 29.700 0.131 0.000 1.167 66 E HN 0.156 nan 8.360 nan 0.000 0.400 67 P HA -0.232 nan 4.420 nan 0.000 0.217 67 P C 0.515 177.861 177.300 0.077 0.000 1.151 67 P CA 1.361 64.533 63.100 0.120 0.000 0.849 67 P CB 0.215 31.981 31.700 0.111 0.000 0.787 68 E N -0.199 120.047 120.200 0.077 0.000 2.153 68 E HA -0.151 4.206 4.350 0.011 0.000 0.194 68 E C 1.966 178.605 176.600 0.065 0.000 0.988 68 E CA 1.473 57.909 56.400 0.060 0.000 0.811 68 E CB -1.245 28.491 29.700 0.061 0.000 0.746 68 E HN 0.195 nan 8.360 nan 0.000 0.466 69 A N 2.260 125.133 122.820 0.088 0.000 1.835 69 A HA -0.047 4.280 4.320 0.011 0.000 0.215 69 A C 1.471 179.045 177.584 -0.017 0.000 1.199 69 A CA 0.786 52.861 52.037 0.064 0.000 0.615 69 A CB -0.401 18.701 19.000 0.170 0.000 0.838 69 A HN 0.127 nan 8.150 nan 0.000 0.444 70 I N -2.178 118.370 120.570 -0.037 0.000 2.823 70 I HA 0.107 4.284 4.170 0.011 0.000 0.290 70 I C 0.143 176.340 176.117 0.134 0.000 1.091 70 I CA -1.339 59.959 61.300 -0.004 0.000 1.365 70 I CB -0.075 37.941 38.000 0.027 0.000 1.427 70 I HN 0.597 nan 8.210 nan 0.000 0.583 71 W N 6.661 127.984 121.300 0.037 0.000 2.266 71 W HA 0.476 5.142 4.660 0.011 0.000 0.317 71 W C -0.607 175.931 176.519 0.031 0.000 1.310 71 W CA -0.320 57.032 57.345 0.013 0.000 1.207 71 W CB 0.499 29.949 29.460 -0.016 0.000 1.199 71 W HN 0.233 nan 8.180 nan 0.000 0.544 72 I N 6.797 126.760 120.570 -1.011 0.000 2.545 72 I HA 0.401 4.577 4.170 0.011 0.000 0.292 72 I C -2.448 172.649 176.117 -1.701 0.000 1.040 72 I CA -2.719 57.888 61.300 -1.154 0.000 1.068 72 I CB 1.341 39.013 38.000 -0.546 0.000 1.251 72 I HN 0.277 nan 8.210 nan 0.000 0.424 73 P HA 0.275 nan 4.420 nan 0.000 0.282 73 P C -0.748 176.161 177.300 -0.652 0.000 1.262 73 P CA -0.203 62.210 63.100 -1.144 0.000 0.773 73 P CB 0.510 31.710 31.700 -0.833 0.000 0.879 74 E N 2.949 122.883 120.200 -0.444 0.000 2.159 74 E HA 0.138 4.495 4.350 0.011 0.000 0.272 74 E C -0.161 176.321 176.600 -0.195 0.000 1.138 74 E CA -0.127 56.107 56.400 -0.277 0.000 0.915 74 E CB 0.137 29.725 29.700 -0.188 0.000 1.028 74 E HN 0.297 nan 8.360 nan 0.000 0.423 75 I N 4.778 125.243 120.570 -0.174 0.000 2.307 75 I HA 0.184 4.361 4.170 0.011 0.000 0.287 75 I C 0.269 176.363 176.117 -0.038 0.000 1.054 75 I CA -0.311 60.922 61.300 -0.111 0.000 1.218 75 I CB 0.410 38.343 38.000 -0.110 0.000 1.398 75 I HN 0.328 nan 8.210 nan 0.000 0.475 76 R N 4.831 125.316 120.500 -0.026 0.000 2.474 76 R HA 0.541 4.888 4.340 0.011 0.000 0.295 76 R C -0.878 175.463 176.300 0.067 0.000 0.980 76 R CA -0.688 55.440 56.100 0.047 0.000 0.934 76 R CB 1.415 31.723 30.300 0.012 0.000 1.101 76 R HN 0.127 nan 8.270 nan 0.000 0.469 77 F N 0.873 120.778 119.950 -0.074 0.000 2.384 77 F HA 0.093 4.626 4.527 0.011 0.000 0.338 77 F C 1.419 177.222 175.800 0.005 0.000 1.103 77 F CA -0.419 57.556 58.000 -0.043 0.000 1.157 77 F CB 1.216 40.159 39.000 -0.096 0.000 1.167 77 F HN 0.245 nan 8.300 nan 0.000 0.529 78 V N 2.092 122.121 119.914 0.193 0.000 2.256 78 V HA -0.211 3.915 4.120 0.011 0.000 0.240 78 V C 0.865 177.039 176.094 0.133 0.000 1.036 78 V CA 1.512 63.881 62.300 0.114 0.000 1.008 78 V CB -0.611 31.235 31.823 0.038 0.000 0.648 78 V HN 0.801 nan 8.190 nan 0.000 0.453 79 N N 0.874 119.720 118.700 0.243 0.000 3.245 79 N HA 0.311 5.057 4.740 0.011 0.000 0.296 79 N C -0.956 174.632 175.510 0.130 0.000 1.254 79 N CA -0.107 53.057 53.050 0.189 0.000 1.190 79 N CB 0.414 39.071 38.487 0.284 0.000 1.460 79 N HN 0.232 nan 8.380 nan 0.000 0.538 80 V N 0.722 120.686 119.914 0.083 0.000 2.735 80 V HA 0.158 4.284 4.120 0.011 0.000 0.310 80 V C 1.022 177.112 176.094 -0.008 0.000 1.061 80 V CA -0.839 61.469 62.300 0.015 0.000 0.913 80 V CB 1.973 33.789 31.823 -0.012 0.000 1.005 80 V HN 0.431 nan 8.190 nan 0.000 0.428 81 E N 2.324 122.503 120.200 -0.034 0.000 2.038 81 E HA -0.143 4.213 4.350 0.011 0.000 0.195 81 E C 0.158 176.742 176.600 -0.026 0.000 1.000 81 E CA 1.470 57.853 56.400 -0.029 0.000 0.803 81 E CB 0.173 29.850 29.700 -0.039 0.000 0.750 81 E HN 0.741 nan 8.360 nan 0.000 0.448 82 N N -1.249 117.429 118.700 -0.037 0.000 2.469 82 N HA 0.405 5.152 4.740 0.011 0.000 0.286 82 N C -1.238 174.252 175.510 -0.035 0.000 1.275 82 N CA -0.393 52.638 53.050 -0.031 0.000 0.790 82 N CB 1.563 40.032 38.487 -0.030 0.000 1.446 82 N HN 0.038 nan 8.380 nan 0.000 0.501 83 A N 1.348 124.153 122.820 -0.024 0.000 2.558 83 A HA -0.076 4.251 4.320 0.011 0.000 0.262 83 A C 0.175 177.733 177.584 -0.042 0.000 1.049 83 A CA 0.318 52.342 52.037 -0.023 0.000 0.804 83 A CB -0.628 18.364 19.000 -0.013 0.000 0.957 83 A HN 0.592 nan 8.150 nan 0.000 0.520 84 R N 2.644 123.097 120.500 -0.078 0.000 2.644 84 R HA -0.035 4.312 4.340 0.011 0.000 0.265 84 R C -0.492 175.784 176.300 -0.039 0.000 0.985 84 R CA 0.115 56.138 56.100 -0.128 0.000 1.097 84 R CB 0.412 30.559 30.300 -0.255 0.000 0.931 84 R HN 0.629 nan 8.270 nan 0.000 0.419 85 D N 1.376 121.775 120.400 -0.002 0.000 2.772 85 D HA 0.273 4.920 4.640 0.011 0.000 0.273 85 D C -0.950 175.399 176.300 0.082 0.000 1.233 85 D CA -0.207 53.812 54.000 0.032 0.000 0.984 85 D CB 0.446 41.254 40.800 0.013 0.000 1.000 85 D HN 0.598 nan 8.370 nan 0.000 0.514 86 A N 1.897 124.784 122.820 0.111 0.000 2.312 86 A HA 0.579 4.906 4.320 0.011 0.000 0.328 86 A C -0.391 177.263 177.584 0.118 0.000 1.158 86 A CA -0.667 51.466 52.037 0.161 0.000 0.821 86 A CB 1.145 20.291 19.000 0.243 0.000 1.170 86 A HN 0.242 nan 8.150 nan 0.000 0.490 87 D N 0.685 121.153 120.400 0.112 0.000 2.350 87 D HA 0.463 5.109 4.640 0.011 0.000 0.245 87 D C -0.533 175.814 176.300 0.078 0.000 1.036 87 D CA -0.155 53.895 54.000 0.083 0.000 0.848 87 D CB 1.950 42.787 40.800 0.062 0.000 1.307 87 D HN 0.188 nan 8.370 nan 0.000 0.469 88 V N 2.291 122.237 119.914 0.054 0.000 2.530 88 V HA 0.076 4.202 4.120 0.011 0.000 0.282 88 V C 1.298 177.363 176.094 -0.048 0.000 1.048 88 V CA -0.221 62.071 62.300 -0.014 0.000 0.997 88 V CB 1.659 33.497 31.823 0.025 0.000 0.987 88 V HN 0.412 nan 8.190 nan 0.000 0.477 89 V N 2.845 122.682 119.914 -0.129 0.000 2.492 89 V HA 0.172 4.299 4.120 0.011 0.000 0.241 89 V C 0.324 176.340 176.094 -0.130 0.000 1.041 89 V CA 1.399 63.632 62.300 -0.113 0.000 1.057 89 V CB 0.476 32.211 31.823 -0.148 0.000 0.711 89 V HN 1.051 nan 8.190 nan 0.000 0.468 90 D N -2.066 118.222 120.400 -0.187 0.000 2.663 90 D HA 0.409 5.055 4.640 0.011 0.000 0.233 90 D C -1.473 174.760 176.300 -0.113 0.000 1.240 90 D CA -0.304 53.623 54.000 -0.122 0.000 0.774 90 D CB 1.552 42.282 40.800 -0.115 0.000 1.443 90 D HN 0.066 nan 8.370 nan 0.000 0.441 91 I N 1.457 122.017 120.570 -0.017 0.000 2.466 91 I HA 0.450 4.627 4.170 0.011 0.000 0.289 91 I C -0.648 175.496 176.117 0.046 0.000 1.026 91 I CA -0.614 60.716 61.300 0.050 0.000 1.078 91 I CB 2.110 40.205 38.000 0.158 0.000 1.249 91 I HN 0.113 nan 8.210 nan 0.000 0.429 92 S N 4.836 120.543 115.700 0.011 0.000 2.756 92 S HA 0.397 4.874 4.470 0.011 0.000 0.303 92 S C -0.440 174.138 174.600 -0.036 0.000 1.135 92 S CA -0.506 57.696 58.200 0.002 0.000 1.066 92 S CB 1.914 65.100 63.200 -0.022 0.000 1.008 92 S HN 0.276 nan 8.310 nan 0.000 0.482 93 V N 3.503 123.415 119.914 -0.004 0.000 2.368 93 V HA 0.320 4.446 4.120 0.011 0.000 0.266 93 V C 0.855 176.781 176.094 -0.279 0.000 1.045 93 V CA -0.240 61.975 62.300 -0.140 0.000 0.899 93 V CB 1.275 33.064 31.823 -0.056 0.000 1.006 93 V HN 0.884 nan 8.190 nan 0.000 0.470 94 S N 6.714 122.261 115.700 -0.255 0.000 2.580 94 S HA 0.181 4.658 4.470 0.011 0.000 0.266 94 S C -1.272 173.075 174.600 -0.421 0.000 1.354 94 S CA -0.694 57.380 58.200 -0.211 0.000 1.008 94 S CB 1.004 64.126 63.200 -0.129 0.000 0.898 94 S HN 0.604 nan 8.310 nan 0.000 0.555 95 P HA -0.055 nan 4.420 nan 0.000 0.217 95 P C 0.675 177.926 177.300 -0.081 0.000 1.151 95 P CA 1.014 64.091 63.100 -0.038 0.000 0.828 95 P CB -0.159 31.726 31.700 0.308 0.000 0.788 96 D N -1.153 119.208 120.400 -0.065 0.000 2.392 96 D HA -0.016 4.630 4.640 0.011 0.000 0.228 96 D C 1.367 177.616 176.300 -0.085 0.000 1.003 96 D CA 1.078 55.049 54.000 -0.048 0.000 0.917 96 D CB -1.153 39.628 40.800 -0.031 0.000 0.890 96 D HN 0.273 nan 8.370 nan 0.000 0.532 97 G N -1.187 107.512 108.800 -0.169 0.000 2.144 97 G HA2 -0.232 3.734 3.960 0.011 0.000 0.218 97 G HA3 -0.232 3.734 3.960 0.011 0.000 0.218 97 G C 0.235 175.014 174.900 -0.200 0.000 0.988 97 G CA 0.128 45.124 45.100 -0.173 0.000 0.659 97 G HN 0.484 nan 8.290 nan 0.000 0.522 98 T N 1.033 115.459 114.554 -0.215 0.000 2.794 98 T HA 0.511 4.868 4.350 0.011 0.000 0.296 98 T C 0.570 175.055 174.700 -0.358 0.000 0.949 98 T CA 0.035 61.986 62.100 -0.248 0.000 1.101 98 T CB 1.374 70.150 68.868 -0.155 0.000 0.905 98 T HN 0.494 nan 8.240 nan 0.000 0.516 99 V N 5.542 125.097 119.914 -0.598 0.000 2.532 99 V HA 0.459 4.585 4.120 0.011 0.000 0.295 99 V C -0.060 175.732 176.094 -0.504 0.000 1.041 99 V CA -0.874 61.010 62.300 -0.693 0.000 0.926 99 V CB 1.796 32.817 31.823 -1.337 0.000 0.992 99 V HN 0.686 nan 8.190 nan 0.000 0.457 100 Q N 3.176 122.815 119.800 -0.269 0.000 2.339 100 Q HA 0.405 4.752 4.340 0.011 0.000 0.268 100 Q C -1.571 174.426 176.000 -0.004 0.000 1.027 100 Q CA -0.393 55.344 55.803 -0.111 0.000 0.759 100 Q CB 2.521 31.209 28.738 -0.083 0.000 1.244 100 Q HN 0.805 nan 8.270 nan 0.000 0.464 101 Y N 2.894 123.162 120.300 -0.053 0.000 2.409 101 Y HA 0.642 5.198 4.550 0.011 0.000 0.339 101 Y C -1.565 174.345 175.900 0.017 0.000 1.033 101 Y CA -1.088 57.027 58.100 0.025 0.000 1.094 101 Y CB 1.235 39.790 38.460 0.160 0.000 1.210 101 Y HN 0.564 nan 8.280 nan 0.000 0.456 102 L N 6.098 126.908 121.223 -0.688 0.000 2.562 102 L HA 0.403 4.749 4.340 0.011 0.000 0.266 102 L C -1.344 175.147 176.870 -0.632 0.000 0.949 102 L CA -0.207 54.312 54.840 -0.535 0.000 0.879 102 L CB 1.700 43.504 42.059 -0.425 0.000 1.278 102 L HN 0.834 nan 8.230 nan 0.000 0.404 103 E N 3.555 123.556 120.200 -0.332 0.000 2.396 103 E HA 0.628 4.984 4.350 0.011 0.000 0.251 103 E C -0.791 175.963 176.600 0.257 0.000 0.949 103 E CA -1.146 55.222 56.400 -0.054 0.000 0.834 103 E CB 1.643 31.413 29.700 0.117 0.000 1.309 103 E HN 0.388 nan 8.360 nan 0.000 0.405 104 R N 1.364 122.040 120.500 0.295 0.000 2.718 104 R HA 0.176 4.522 4.340 0.011 0.000 0.266 104 R C -1.263 175.130 176.300 0.154 0.000 1.776 104 R CA -0.416 55.875 56.100 0.319 0.000 1.567 104 R CB 0.131 30.623 30.300 0.321 0.000 1.336 104 R HN 0.576 nan 8.270 nan 0.000 0.619 105 F N 0.817 120.826 119.950 0.100 0.000 2.390 105 F HA 0.568 5.102 4.527 0.011 0.000 0.307 105 F C 0.045 175.820 175.800 -0.040 0.000 1.227 105 F CA -0.601 57.402 58.000 0.004 0.000 1.179 105 F CB 0.819 39.785 39.000 -0.058 0.000 1.280 105 F HN 0.201 nan 8.300 nan 0.000 0.548 106 S N 0.300 115.980 115.700 -0.035 0.000 2.357 106 S HA 0.723 5.200 4.470 0.011 0.000 0.209 106 S C -1.031 173.553 174.600 -0.027 0.000 0.981 106 S CA -0.288 57.835 58.200 -0.129 0.000 1.106 106 S CB 0.085 63.242 63.200 -0.071 0.000 1.266 106 S HN 1.364 nan 8.310 nan 0.000 0.410 107 A N 2.837 125.633 122.820 -0.041 0.000 2.386 107 A HA 0.949 5.276 4.320 0.011 0.000 0.308 107 A C -0.058 177.389 177.584 -0.228 0.000 1.128 107 A CA -1.329 50.628 52.037 -0.133 0.000 0.789 107 A CB 1.226 20.097 19.000 -0.215 0.000 1.325 107 A HN 0.981 nan 8.150 nan 0.000 0.437 108 R N 0.498 120.863 120.500 -0.225 0.000 2.312 108 R HA 0.619 4.966 4.340 0.011 0.000 0.311 108 R C -1.217 174.889 176.300 -0.323 0.000 1.004 108 R CA -0.466 55.444 56.100 -0.317 0.000 0.902 108 R CB 0.756 30.922 30.300 -0.222 0.000 1.073 108 R HN 0.290 nan 8.270 nan 0.000 0.457 109 V N 4.104 123.690 119.914 -0.547 0.000 2.644 109 V HA 0.251 4.378 4.120 0.011 0.000 0.295 109 V C 0.293 176.269 176.094 -0.196 0.000 1.053 109 V CA -0.975 61.074 62.300 -0.419 0.000 0.987 109 V CB 1.469 32.846 31.823 -0.744 0.000 1.006 109 V HN 0.727 nan 8.190 nan 0.000 0.472 110 L N 3.602 124.816 121.223 -0.015 0.000 2.494 110 L HA 0.420 4.767 4.340 0.011 0.000 0.251 110 L C 0.362 177.320 176.870 0.147 0.000 1.119 110 L CA 0.279 55.156 54.840 0.062 0.000 1.026 110 L CB 0.751 42.842 42.059 0.054 0.000 1.370 110 L HN 0.799 nan 8.230 nan 0.000 0.426 111 S N 4.493 120.315 115.700 0.204 0.000 2.462 111 S HA 0.621 5.097 4.470 0.011 0.000 0.294 111 S C -2.414 172.265 174.600 0.132 0.000 1.144 111 S CA -1.461 56.867 58.200 0.213 0.000 1.088 111 S CB 1.186 64.528 63.200 0.237 0.000 1.009 111 S HN 0.302 nan 8.310 nan 0.000 0.484 112 P HA 0.335 nan 4.420 nan 0.000 0.274 112 P C -1.177 176.117 177.300 -0.011 0.000 1.231 112 P CA -0.420 62.725 63.100 0.076 0.000 0.790 112 P CB 0.550 32.304 31.700 0.091 0.000 0.951 113 L N 1.081 122.258 121.223 -0.078 0.000 2.341 113 L HA 0.501 4.848 4.340 0.011 0.000 0.267 113 L C 0.117 176.787 176.870 -0.334 0.000 1.009 113 L CA -0.739 53.928 54.840 -0.288 0.000 0.819 113 L CB 1.682 43.435 42.059 -0.511 0.000 1.323 113 L HN 0.227 nan 8.230 nan 0.000 0.425 114 D N 0.571 120.768 120.400 -0.338 0.000 2.454 114 D HA 0.305 4.952 4.640 0.011 0.000 0.225 114 D C -0.265 175.936 176.300 -0.165 0.000 1.081 114 D CA -0.195 53.674 54.000 -0.218 0.000 0.864 114 D CB 0.532 41.209 40.800 -0.205 0.000 1.040 114 D HN 0.284 nan 8.370 nan 0.000 0.517 115 F N 2.131 122.251 119.950 0.282 0.000 2.676 115 F HA 0.261 4.795 4.527 0.011 0.000 0.300 115 F C 2.182 178.167 175.800 0.308 0.000 1.160 115 F CA -0.341 57.847 58.000 0.313 0.000 1.401 115 F CB 0.142 39.295 39.000 0.255 0.000 1.037 115 F HN 0.279 nan 8.300 nan 0.000 0.522 116 R N 0.527 121.155 120.500 0.214 0.000 2.120 116 R HA -0.007 4.339 4.340 0.011 0.000 0.234 116 R C 1.145 177.342 176.300 -0.173 0.000 1.123 116 R CA 1.092 57.180 56.100 -0.020 0.000 0.975 116 R CB 0.075 30.210 30.300 -0.275 0.000 0.866 116 R HN 0.212 nan 8.270 nan 0.000 0.446 117 R N -0.431 120.018 120.500 -0.085 0.000 2.791 117 R HA 0.026 4.373 4.340 0.011 0.000 0.357 117 R C 0.203 176.632 176.300 0.214 0.000 1.173 117 R CA -0.283 55.760 56.100 -0.095 0.000 1.060 117 R CB 0.217 30.248 30.300 -0.448 0.000 1.406 117 R HN 0.162 nan 8.270 nan 0.000 0.580 118 Y N 3.691 124.136 120.300 0.242 0.000 1.891 118 Y HA -0.317 4.240 4.550 0.011 0.000 0.206 118 Y C -1.063 174.920 175.900 0.138 0.000 1.161 118 Y CA 2.467 60.742 58.100 0.292 0.000 0.966 118 Y CB -1.523 37.127 38.460 0.317 0.000 0.784 118 Y HN 0.095 nan 8.280 nan 0.000 0.549 119 P HA -0.051 nan 4.420 nan 0.000 0.225 119 P C 0.096 176.803 177.300 -0.988 0.000 1.156 119 P CA 1.519 63.992 63.100 -1.045 0.000 0.787 119 P CB -0.239 30.935 31.700 -0.878 0.000 0.802 120 F N 1.157 121.015 119.950 -0.153 0.000 2.701 120 F HA 0.254 4.787 4.527 0.011 0.000 0.315 120 F C 0.395 176.093 175.800 -0.169 0.000 1.277 120 F CA -1.166 56.728 58.000 -0.177 0.000 1.180 120 F CB -0.184 38.759 39.000 -0.094 0.000 1.273 120 F HN -0.129 nan 8.300 nan 0.000 0.532 121 D N -0.849 119.517 120.400 -0.056 0.000 2.252 121 D HA 0.438 5.085 4.640 0.011 0.000 0.245 121 D C -0.564 175.741 176.300 0.009 0.000 1.009 121 D CA -0.633 53.346 54.000 -0.035 0.000 0.870 121 D CB 2.065 42.887 40.800 0.037 0.000 1.251 121 D HN -0.049 nan 8.370 nan 0.000 0.460 122 S N 0.529 116.235 115.700 0.009 0.000 2.578 122 S HA 0.493 4.970 4.470 0.011 0.000 0.301 122 S C -0.769 173.855 174.600 0.040 0.000 1.091 122 S CA -0.670 57.569 58.200 0.064 0.000 1.032 122 S CB 1.314 64.524 63.200 0.018 0.000 1.064 122 S HN 0.367 nan 8.310 nan 0.000 0.508 123 Q N 1.015 120.842 119.800 0.046 0.000 2.433 123 Q HA 0.506 4.852 4.340 0.011 0.000 0.279 123 Q C -0.746 175.150 176.000 -0.172 0.000 1.105 123 Q CA -0.545 55.203 55.803 -0.091 0.000 0.815 123 Q CB 1.974 30.596 28.738 -0.194 0.000 1.403 123 Q HN 0.672 nan 8.270 nan 0.000 0.435 124 T N 1.170 115.590 114.554 -0.223 0.000 2.963 124 T HA 0.608 4.965 4.350 0.011 0.000 0.328 124 T C -0.609 173.822 174.700 -0.447 0.000 1.048 124 T CA -0.427 61.497 62.100 -0.294 0.000 1.033 124 T CB -0.260 68.480 68.868 -0.212 0.000 1.010 124 T HN 0.376 nan 8.240 nan 0.000 0.469 125 L N 4.444 125.364 121.223 -0.505 0.000 2.439 125 L HA 0.644 4.990 4.340 0.011 0.000 0.259 125 L C 0.488 177.046 176.870 -0.520 0.000 1.129 125 L CA -1.160 53.397 54.840 -0.472 0.000 0.803 125 L CB 0.820 42.472 42.059 -0.679 0.000 1.161 125 L HN 0.583 nan 8.230 nan 0.000 0.462 126 H N 1.662 120.724 119.070 -0.013 0.000 2.806 126 H HA 0.594 5.157 4.556 0.011 0.000 0.367 126 H C -0.939 174.312 175.328 -0.128 0.000 1.136 126 H CA -0.475 55.487 56.048 -0.145 0.000 1.178 126 H CB 2.682 32.261 29.762 -0.305 0.000 1.718 126 H HN 0.369 nan 8.280 nan 0.000 0.540 127 I N 1.747 122.268 120.570 -0.082 0.000 2.730 127 I HA 0.122 4.299 4.170 0.011 0.000 0.298 127 I C -0.394 175.592 176.117 -0.219 0.000 1.089 127 I CA -0.505 60.803 61.300 0.013 0.000 1.041 127 I CB 2.147 40.298 38.000 0.252 0.000 1.235 127 I HN 0.494 nan 8.210 nan 0.000 0.423 128 Y N 3.441 123.759 120.300 0.031 0.000 2.697 128 Y HA 0.332 4.888 4.550 0.011 0.000 0.268 128 Y C 0.107 175.907 175.900 -0.166 0.000 1.092 128 Y CA -0.076 58.009 58.100 -0.026 0.000 1.304 128 Y CB 0.251 38.723 38.460 0.020 0.000 1.446 128 Y HN 0.255 nan 8.280 nan 0.000 0.491 129 L N 1.485 122.551 121.223 -0.262 0.000 3.546 129 L HA -0.216 4.131 4.340 0.011 0.000 0.668 129 L C -0.373 176.468 176.870 -0.048 0.000 1.139 129 L CA 0.222 54.904 54.840 -0.263 0.000 1.122 129 L CB -2.085 39.814 42.059 -0.266 0.000 1.545 129 L HN 0.180 nan 8.230 nan 0.000 0.851 130 I N -1.425 119.130 120.570 -0.025 0.000 3.156 130 I HA 0.786 4.963 4.170 0.011 0.000 0.306 130 I C 0.533 176.638 176.117 -0.019 0.000 1.048 130 I CA -0.931 60.373 61.300 0.006 0.000 1.207 130 I CB 1.557 39.553 38.000 -0.006 0.000 1.456 130 I HN 0.118 nan 8.210 nan 0.000 0.616 131 V N 2.299 122.210 119.914 -0.004 0.000 2.739 131 V HA 0.366 4.493 4.120 0.011 0.000 0.293 131 V C -0.683 175.407 176.094 -0.006 0.000 1.199 131 V CA -0.476 61.809 62.300 -0.026 0.000 0.931 131 V CB 1.640 33.437 31.823 -0.045 0.000 1.052 131 V HN 0.882 nan 8.190 nan 0.000 0.441 132 R N 3.934 124.427 120.500 -0.013 0.000 2.459 132 R HA 0.692 5.039 4.340 0.011 0.000 0.281 132 R C 0.118 176.424 176.300 0.009 0.000 1.050 132 R CA -0.100 56.000 56.100 0.000 0.000 1.055 132 R CB 1.444 31.739 30.300 -0.008 0.000 1.045 132 R HN 0.826 nan 8.270 nan 0.000 0.495 133 S N 0.952 116.659 115.700 0.012 0.000 2.707 133 S HA 0.332 4.808 4.470 0.011 0.000 0.276 133 S C 0.412 175.020 174.600 0.012 0.000 1.179 133 S CA -0.996 57.212 58.200 0.013 0.000 0.992 133 S CB 1.831 65.034 63.200 0.004 0.000 1.030 133 S HN 0.487 nan 8.310 nan 0.000 0.554 134 V N 0.202 120.119 119.914 0.004 0.000 4.508 134 V HA 0.206 4.333 4.120 0.011 0.000 0.169 134 V C 0.605 176.687 176.094 -0.019 0.000 1.084 134 V CA 0.478 62.778 62.300 0.000 0.000 1.371 134 V CB -0.425 31.408 31.823 0.017 0.000 1.878 134 V HN 0.958 nan 8.190 nan 0.000 0.506 135 D N -1.161 119.215 120.400 -0.040 0.000 2.401 135 D HA 0.092 4.738 4.640 0.011 0.000 0.269 135 D C 0.319 176.583 176.300 -0.060 0.000 1.117 135 D CA 0.377 54.350 54.000 -0.046 0.000 0.829 135 D CB 0.183 40.954 40.800 -0.049 0.000 1.350 135 D HN 0.413 nan 8.370 nan 0.000 0.529 136 T N 0.855 115.359 114.554 -0.083 0.000 2.875 136 T HA 0.485 4.842 4.350 0.011 0.000 0.284 136 T C 0.023 174.688 174.700 -0.058 0.000 0.995 136 T CA -0.860 61.189 62.100 -0.085 0.000 1.060 136 T CB 1.660 70.445 68.868 -0.139 0.000 0.967 136 T HN -0.081 nan 8.240 nan 0.000 0.476 137 R N 2.221 122.696 120.500 -0.042 0.000 2.490 137 R HA 0.376 4.723 4.340 0.011 0.000 0.278 137 R C -0.442 175.846 176.300 -0.019 0.000 1.069 137 R CA -0.599 55.487 56.100 -0.024 0.000 1.080 137 R CB 0.069 30.357 30.300 -0.020 0.000 1.030 137 R HN 0.609 nan 8.270 nan 0.000 0.491 138 N N 1.143 119.840 118.700 -0.005 0.000 2.443 138 N HA 0.398 5.145 4.740 0.011 0.000 0.269 138 N C -0.704 174.809 175.510 0.005 0.000 0.985 138 N CA -0.275 52.778 53.050 0.004 0.000 0.921 138 N CB 1.658 40.155 38.487 0.016 0.000 1.195 138 N HN 0.355 nan 8.380 nan 0.000 0.492 139 I N 2.595 123.169 120.570 0.008 0.000 2.377 139 I HA 0.349 4.525 4.170 0.011 0.000 0.293 139 I C 0.014 176.143 176.117 0.020 0.000 0.987 139 I CA -1.081 60.223 61.300 0.006 0.000 1.185 139 I CB 1.247 39.247 38.000 -0.000 0.000 1.341 139 I HN 0.224 nan 8.210 nan 0.000 0.455 140 V N 5.462 125.388 119.914 0.019 0.000 2.997 140 V HA 0.686 4.813 4.120 0.011 0.000 0.311 140 V C -0.275 175.838 176.094 0.031 0.000 1.066 140 V CA -0.607 61.712 62.300 0.033 0.000 1.039 140 V CB 1.874 33.717 31.823 0.033 0.000 1.081 140 V HN 0.674 nan 8.190 nan 0.000 0.467 141 L N 0.604 121.855 121.223 0.047 0.000 2.794 141 L HA 0.725 5.071 4.340 0.011 0.000 0.261 141 L C -0.525 176.376 176.870 0.051 0.000 0.989 141 L CA -0.570 54.289 54.840 0.030 0.000 0.900 141 L CB 2.040 44.113 42.059 0.022 0.000 1.473 141 L HN 1.036 nan 8.230 nan 0.000 0.414 142 A N 1.522 124.355 122.820 0.020 0.000 2.301 142 A HA 0.713 5.040 4.320 0.011 0.000 0.312 142 A C -0.868 176.745 177.584 0.049 0.000 1.182 142 A CA -0.391 51.673 52.037 0.045 0.000 0.826 142 A CB 1.181 20.154 19.000 -0.045 0.000 1.134 142 A HN 0.325 nan 8.150 nan 0.000 0.501 143 V N 3.347 123.310 119.914 0.081 0.000 2.277 143 V HA 0.149 4.276 4.120 0.011 0.000 0.269 143 V C -0.126 176.007 176.094 0.065 0.000 1.036 143 V CA -0.462 61.877 62.300 0.065 0.000 0.821 143 V CB 0.764 32.628 31.823 0.069 0.000 1.052 143 V HN 0.914 nan 8.190 nan 0.000 0.462 144 D N 3.467 123.892 120.400 0.040 0.000 2.392 144 D HA -0.054 4.592 4.640 0.011 0.000 0.228 144 D C 1.566 177.897 176.300 0.051 0.000 1.003 144 D CA 0.716 54.736 54.000 0.034 0.000 0.917 144 D CB 0.428 41.233 40.800 0.009 0.000 0.890 144 D HN 0.508 nan 8.370 nan 0.000 0.532 145 L N -0.160 121.098 121.223 0.058 0.000 2.249 145 L HA 0.021 4.368 4.340 0.011 0.000 0.207 145 L C 1.844 178.770 176.870 0.094 0.000 1.090 145 L CA 0.689 55.567 54.840 0.064 0.000 0.802 145 L CB 0.123 42.209 42.059 0.044 0.000 0.947 145 L HN -0.206 nan 8.230 nan 0.000 0.453 146 E N -0.309 119.953 120.200 0.104 0.000 2.474 146 E HA -0.066 4.291 4.350 0.011 0.000 0.194 146 E C 1.745 178.467 176.600 0.203 0.000 1.041 146 E CA 0.123 56.611 56.400 0.147 0.000 0.874 146 E CB 0.310 30.083 29.700 0.121 0.000 0.914 146 E HN 0.088 nan 8.360 nan 0.000 0.498 147 K N 0.764 121.255 120.400 0.152 0.000 2.354 147 K HA 0.012 4.339 4.320 0.011 0.000 0.194 147 K C 1.199 177.808 176.600 0.015 0.000 1.038 147 K CA 0.577 56.927 56.287 0.105 0.000 1.052 147 K CB 0.551 33.107 32.500 0.093 0.000 0.861 147 K HN 0.143 nan 8.250 nan 0.000 0.535 148 V N -0.064 119.907 119.914 0.094 0.000 3.440 148 V HA 0.102 4.229 4.120 0.011 0.000 0.274 148 V C 1.016 177.174 176.094 0.107 0.000 1.207 148 V CA 0.397 62.752 62.300 0.091 0.000 1.183 148 V CB -1.837 30.059 31.823 0.122 0.000 0.837 148 V HN 0.192 nan 8.190 nan 0.000 0.532 149 G N 1.349 110.217 108.800 0.112 0.000 2.138 149 G HA2 0.265 4.231 3.960 0.011 0.000 0.263 149 G HA3 0.265 4.231 3.960 0.011 0.000 0.263 149 G C -0.010 174.754 174.900 -0.225 0.000 1.103 149 G CA 0.419 45.396 45.100 -0.204 0.000 1.014 149 G HN 0.849 nan 8.290 nan 0.000 0.418 150 K N 2.553 122.517 120.400 -0.727 0.000 2.399 150 K HA -0.064 4.263 4.320 0.011 0.000 0.362 150 K C -0.590 175.798 176.600 -0.354 0.000 1.480 150 K CA -0.576 55.532 56.287 -0.299 0.000 1.220 150 K CB -0.381 32.124 32.500 0.008 0.000 1.430 150 K HN 0.598 nan 8.250 nan 0.000 0.456 151 N N 1.210 119.734 118.700 -0.293 0.000 2.263 151 N HA 0.046 4.793 4.740 0.011 0.000 0.239 151 N C -0.067 175.437 175.510 -0.010 0.000 1.317 151 N CA 0.054 53.081 53.050 -0.039 0.000 0.909 151 N CB 0.474 38.990 38.487 0.047 0.000 1.171 151 N HN 0.409 nan 8.380 nan 0.000 0.492 152 D N 0.057 120.473 120.400 0.027 0.000 2.413 152 D HA 0.073 4.719 4.640 0.011 0.000 0.237 152 D C -0.473 175.818 176.300 -0.015 0.000 1.171 152 D CA 0.519 54.524 54.000 0.009 0.000 0.839 152 D CB 0.073 40.886 40.800 0.021 0.000 0.950 152 D HN 0.379 nan 8.370 nan 0.000 0.499 153 D N -0.537 119.850 120.400 -0.022 0.000 2.525 153 D HA 0.021 4.668 4.640 0.011 0.000 0.231 153 D C 0.535 176.812 176.300 -0.038 0.000 1.216 153 D CA -0.006 53.964 54.000 -0.050 0.000 0.813 153 D CB 1.415 42.189 40.800 -0.043 0.000 1.108 153 D HN 0.003 nan 8.370 nan 0.000 0.524 154 V N 0.471 120.379 119.914 -0.011 0.000 2.814 154 V HA 0.026 4.152 4.120 0.011 0.000 0.307 154 V C 1.288 177.447 176.094 0.109 0.000 1.089 154 V CA 0.074 62.394 62.300 0.034 0.000 1.212 154 V CB 0.484 32.301 31.823 -0.010 0.000 0.912 154 V HN -0.003 nan 8.190 nan 0.000 0.497 155 F N 2.834 122.788 119.950 0.008 0.000 2.414 155 F HA 0.382 4.916 4.527 0.011 0.000 0.255 155 F C 0.917 176.743 175.800 0.044 0.000 1.032 155 F CA -0.357 57.660 58.000 0.028 0.000 1.049 155 F CB 0.320 39.347 39.000 0.046 0.000 1.140 155 F HN 0.500 nan 8.300 nan 0.000 0.643 156 L N 2.782 124.153 121.223 0.246 0.000 3.639 156 L HA -0.169 4.178 4.340 0.011 0.000 0.648 156 L C -0.234 176.688 176.870 0.087 0.000 1.130 156 L CA 0.664 55.540 54.840 0.060 0.000 1.057 156 L CB -2.157 39.915 42.059 0.020 0.000 1.428 156 L HN 0.506 nan 8.230 nan 0.000 0.829 157 T N 0.113 114.532 114.554 -0.226 0.000 2.891 157 T HA 0.399 4.756 4.350 0.011 0.000 0.296 157 T C 1.533 176.311 174.700 0.130 0.000 1.025 157 T CA 0.250 62.251 62.100 -0.164 0.000 1.149 157 T CB 0.756 69.428 68.868 -0.328 0.000 1.007 157 T HN 2.006 nan 8.240 nan 0.000 0.528 158 G N 1.731 110.580 108.800 0.081 0.000 2.166 158 G HA2 -0.223 3.743 3.960 0.011 0.000 0.260 158 G HA3 -0.223 3.743 3.960 0.011 0.000 0.260 158 G C -0.329 174.415 174.900 -0.261 0.000 0.986 158 G CA -0.044 45.024 45.100 -0.052 0.000 0.683 158 G HN 0.808 nan 8.290 nan 0.000 0.527 159 W N 0.363 121.641 121.300 -0.037 0.000 2.839 159 W HA 0.577 5.244 4.660 0.012 0.000 0.334 159 W C -0.497 175.996 176.519 -0.042 0.000 1.064 159 W CA -1.044 56.268 57.345 -0.056 0.000 1.236 159 W CB 1.232 30.646 29.460 -0.077 0.000 1.405 159 W HN -0.060 nan 8.180 nan 0.000 0.478 160 D N 2.997 123.486 120.400 0.149 0.000 2.304 160 D HA 0.348 4.995 4.640 0.011 0.000 0.250 160 D C -0.210 176.161 176.300 0.118 0.000 1.107 160 D CA 0.011 54.064 54.000 0.089 0.000 0.885 160 D CB 1.434 42.248 40.800 0.023 0.000 1.192 160 D HN 0.193 nan 8.370 nan 0.000 0.436 161 I N 1.815 122.426 120.570 0.068 0.000 2.354 161 I HA 0.114 4.291 4.170 0.011 0.000 0.292 161 I C 1.161 177.287 176.117 0.015 0.000 0.989 161 I CA -0.398 60.917 61.300 0.024 0.000 1.188 161 I CB 1.733 39.731 38.000 -0.004 0.000 1.342 161 I HN 0.210 nan 8.210 nan 0.000 0.457 162 E N 2.745 122.947 120.200 0.004 0.000 2.162 162 E HA 0.096 4.452 4.350 0.011 0.000 0.193 162 E C -0.337 176.274 176.600 0.017 0.000 0.953 162 E CA 0.503 56.910 56.400 0.011 0.000 0.849 162 E CB 0.533 30.239 29.700 0.010 0.000 0.810 162 E HN 0.709 nan 8.360 nan 0.000 0.470 163 S N -1.082 114.630 115.700 0.020 0.000 2.602 163 S HA 0.240 4.717 4.470 0.011 0.000 0.301 163 S C -1.282 173.401 174.600 0.138 0.000 1.091 163 S CA -0.868 57.370 58.200 0.064 0.000 0.895 163 S CB -0.429 62.800 63.200 0.049 0.000 1.090 163 S HN 0.145 nan 8.310 nan 0.000 0.449 164 F N 3.973 123.912 119.950 -0.020 0.000 2.332 164 F HA 0.568 5.102 4.527 0.011 0.000 0.368 164 F C 0.561 176.377 175.800 0.027 0.000 1.110 164 F CA -0.202 57.799 58.000 0.002 0.000 1.087 164 F CB 0.942 39.945 39.000 0.005 0.000 1.235 164 F HN 0.998 nan 8.300 nan 0.000 0.470 165 T N 2.382 117.059 114.554 0.205 0.000 2.676 165 T HA 0.927 5.284 4.350 0.011 0.000 0.269 165 T C -0.768 173.876 174.700 -0.093 0.000 0.952 165 T CA -0.992 61.100 62.100 -0.014 0.000 1.040 165 T CB 1.897 70.769 68.868 0.007 0.000 1.352 165 T HN 0.708 nan 8.240 nan 0.000 0.554 166 A N -0.032 122.686 122.820 -0.170 0.000 2.582 166 A HA 0.593 4.919 4.320 0.011 0.000 0.297 166 A C -1.014 176.431 177.584 -0.231 0.000 1.059 166 A CA -0.814 51.038 52.037 -0.308 0.000 0.705 166 A CB 1.214 19.717 19.000 -0.829 0.000 1.279 166 A HN 0.877 nan 8.150 nan 0.000 0.404 167 V N 4.114 123.916 119.914 -0.187 0.000 2.364 167 V HA 0.118 4.245 4.120 0.011 0.000 0.252 167 V C 1.939 177.959 176.094 -0.123 0.000 1.075 167 V CA 0.558 62.794 62.300 -0.107 0.000 1.033 167 V CB -0.095 31.700 31.823 -0.047 0.000 1.116 167 V HN 1.260 nan 8.190 nan 0.000 0.488 168 V N 2.878 122.729 119.914 -0.105 0.000 2.250 168 V HA -0.202 3.924 4.120 0.011 0.000 0.253 168 V C 1.183 177.237 176.094 -0.067 0.000 1.065 168 V CA 1.303 63.550 62.300 -0.087 0.000 1.039 168 V CB -0.693 31.094 31.823 -0.061 0.000 0.647 168 V HN 0.711 nan 8.190 nan 0.000 0.446 169 K N 2.896 123.263 120.400 -0.056 0.000 2.349 169 K HA 0.356 4.683 4.320 0.011 0.000 0.289 169 K C -2.178 174.389 176.600 -0.056 0.000 1.064 169 K CA -1.370 54.887 56.287 -0.051 0.000 0.947 169 K CB 0.696 33.167 32.500 -0.048 0.000 1.007 169 K HN 0.470 nan 8.250 nan 0.000 0.478 170 P HA 0.176 nan 4.420 nan 0.000 0.277 170 P C -1.108 176.128 177.300 -0.106 0.000 1.271 170 P CA -0.654 62.412 63.100 -0.056 0.000 0.795 170 P CB 0.766 32.443 31.700 -0.040 0.000 1.101 171 A N 1.353 124.081 122.820 -0.154 0.000 2.273 171 A HA 0.464 4.790 4.320 0.011 0.000 0.315 171 A C -0.531 176.776 177.584 -0.463 0.000 1.256 171 A CA -0.585 51.242 52.037 -0.350 0.000 0.851 171 A CB -0.225 18.502 19.000 -0.455 0.000 1.172 171 A HN 0.427 nan 8.150 nan 0.000 0.508 172 N N 2.014 120.477 118.700 -0.396 0.000 2.439 172 N HA 0.521 5.268 4.740 0.011 0.000 0.249 172 N C -1.014 174.297 175.510 -0.331 0.000 1.003 172 N CA 0.091 52.978 53.050 -0.271 0.000 0.942 172 N CB 0.418 38.826 38.487 -0.132 0.000 1.115 172 N HN 0.516 nan 8.380 nan 0.000 0.505 173 F N 0.450 120.379 119.950 -0.036 0.000 2.380 173 F HA 0.570 5.104 4.527 0.011 0.000 0.321 173 F C 1.004 176.785 175.800 -0.032 0.000 1.103 173 F CA -1.117 56.859 58.000 -0.039 0.000 1.067 173 F CB 0.935 39.906 39.000 -0.048 0.000 1.265 173 F HN 0.333 nan 8.300 nan 0.000 0.517 174 A N 2.730 125.667 122.820 0.196 0.000 2.444 174 A HA 0.583 4.910 4.320 0.011 0.000 0.332 174 A C -1.325 176.310 177.584 0.086 0.000 1.430 174 A CA -0.356 51.742 52.037 0.101 0.000 0.975 174 A CB -0.072 18.963 19.000 0.058 0.000 1.147 174 A HN 0.553 nan 8.150 nan 0.000 0.524 175 L N 2.232 123.490 121.223 0.058 0.000 2.384 175 L HA 0.421 4.768 4.340 0.011 0.000 0.261 175 L C 0.004 176.871 176.870 -0.006 0.000 1.024 175 L CA 0.214 55.055 54.840 0.002 0.000 0.899 175 L CB -0.407 41.628 42.059 -0.041 0.000 1.243 175 L HN 0.865 nan 8.230 nan 0.000 0.449 176 E N 2.817 123.012 120.200 -0.008 0.000 2.266 176 E HA -0.266 4.091 4.350 0.011 0.000 0.209 176 E C 0.029 176.626 176.600 -0.005 0.000 1.286 176 E CA 0.720 57.114 56.400 -0.010 0.000 0.677 176 E CB -1.085 28.605 29.700 -0.018 0.000 1.173 176 E HN 0.881 nan 8.360 nan 0.000 0.384 177 D N -0.967 119.432 120.400 -0.000 0.000 3.070 177 D HA -0.228 4.419 4.640 0.011 0.000 0.220 177 D C -0.231 176.069 176.300 0.001 0.000 1.176 177 D CA 1.861 55.861 54.000 -0.001 0.000 0.924 177 D CB -0.098 40.700 40.800 -0.004 0.000 1.124 177 D HN 0.407 nan 8.370 nan 0.000 0.411 178 R N -0.452 120.051 120.500 0.005 0.000 2.548 178 R HA 0.462 4.809 4.340 0.011 0.000 0.280 178 R C -1.091 175.221 176.300 0.019 0.000 1.061 178 R CA -1.050 55.054 56.100 0.007 0.000 0.915 178 R CB 1.276 31.578 30.300 0.003 0.000 1.210 178 R HN 0.063 nan 8.270 nan 0.000 0.442 179 L N -0.013 121.223 121.223 0.022 0.000 2.371 179 L HA 0.521 4.867 4.340 0.011 0.000 0.272 179 L C -0.344 176.555 176.870 0.048 0.000 1.124 179 L CA 0.243 55.107 54.840 0.041 0.000 0.816 179 L CB 0.765 42.839 42.059 0.024 0.000 1.129 179 L HN 0.555 nan 8.230 nan 0.000 0.448 180 E N 1.323 121.578 120.200 0.091 0.000 2.264 180 E HA 0.631 4.988 4.350 0.011 0.000 0.260 180 E C -1.098 175.572 176.600 0.117 0.000 0.961 180 E CA -1.016 55.440 56.400 0.093 0.000 0.834 180 E CB 1.905 31.662 29.700 0.094 0.000 1.230 180 E HN 0.695 nan 8.360 nan 0.000 0.412 181 S N 0.888 116.640 115.700 0.087 0.000 2.647 181 S HA 0.269 4.746 4.470 0.011 0.000 0.300 181 S C -1.257 173.395 174.600 0.087 0.000 1.129 181 S CA -0.753 57.483 58.200 0.060 0.000 1.029 181 S CB 0.625 63.834 63.200 0.016 0.000 1.007 181 S HN 0.403 nan 8.310 nan 0.000 0.484 182 K N 5.758 126.229 120.400 0.119 0.000 2.292 182 K HA 0.572 4.899 4.320 0.011 0.000 0.257 182 K C -1.411 175.265 176.600 0.127 0.000 0.940 182 K CA -0.636 55.747 56.287 0.161 0.000 0.811 182 K CB 0.934 33.624 32.500 0.317 0.000 1.120 182 K HN 0.627 nan 8.250 nan 0.000 0.428 183 L N 2.076 123.391 121.223 0.154 0.000 2.322 183 L HA 0.347 4.693 4.340 0.011 0.000 0.269 183 L C -0.633 176.368 176.870 0.218 0.000 1.012 183 L CA -0.935 53.978 54.840 0.122 0.000 0.815 183 L CB 1.825 43.935 42.059 0.085 0.000 1.295 183 L HN 0.705 nan 8.230 nan 0.000 0.438 184 D N 0.719 121.174 120.400 0.092 0.000 2.461 184 D HA 0.231 4.877 4.640 0.011 0.000 0.240 184 D C -1.295 174.996 176.300 -0.015 0.000 1.094 184 D CA -0.213 53.847 54.000 0.101 0.000 0.868 184 D CB 0.427 41.325 40.800 0.163 0.000 1.062 184 D HN 0.112 nan 8.370 nan 0.000 0.530 185 Y N 2.102 122.421 120.300 0.031 0.000 2.383 185 Y HA 0.282 4.839 4.550 0.011 0.000 0.344 185 Y C 0.658 176.694 175.900 0.227 0.000 0.986 185 Y CA -0.273 57.922 58.100 0.157 0.000 1.175 185 Y CB 1.119 39.731 38.460 0.253 0.000 1.152 185 Y HN 0.187 nan 8.280 nan 0.000 0.511 186 Q N 3.694 123.699 119.800 0.340 0.000 2.314 186 Q HA 0.365 4.712 4.340 0.011 0.000 0.259 186 Q C -1.377 174.730 176.000 0.179 0.000 0.951 186 Q CA -0.992 54.896 55.803 0.141 0.000 0.909 186 Q CB 1.814 30.588 28.738 0.060 0.000 1.236 186 Q HN 0.475 nan 8.270 nan 0.000 0.444 187 L N 3.822 124.973 121.223 -0.120 0.000 2.294 187 L HA 0.369 4.716 4.340 0.011 0.000 0.283 187 L C -0.929 175.778 176.870 -0.272 0.000 1.015 187 L CA -0.152 54.528 54.840 -0.266 0.000 0.831 187 L CB 0.857 42.596 42.059 -0.535 0.000 1.217 187 L HN 0.430 nan 8.230 nan 0.000 0.420 188 R N 6.425 126.830 120.500 -0.159 0.000 2.265 188 R HA 0.639 4.986 4.340 0.011 0.000 0.319 188 R C -0.750 175.481 176.300 -0.115 0.000 1.006 188 R CA -0.448 55.570 56.100 -0.136 0.000 0.880 188 R CB 1.201 31.462 30.300 -0.065 0.000 1.077 188 R HN 0.816 nan 8.270 nan 0.000 0.454 189 I N -1.597 118.910 120.570 -0.105 0.000 2.865 189 I HA 0.531 4.708 4.170 0.011 0.000 0.302 189 I C -0.350 175.869 176.117 0.171 0.000 1.140 189 I CA -0.906 60.400 61.300 0.010 0.000 1.021 189 I CB 2.443 40.388 38.000 -0.092 0.000 1.233 189 I HN 0.397 nan 8.210 nan 0.000 0.427 190 S N 3.473 119.319 115.700 0.243 0.000 2.532 190 S HA 0.583 5.059 4.470 0.011 0.000 0.301 190 S C -0.454 174.222 174.600 0.126 0.000 1.083 190 S CA -0.809 57.507 58.200 0.194 0.000 1.025 190 S CB 1.912 65.166 63.200 0.091 0.000 1.056 190 S HN 0.892 nan 8.310 nan 0.000 0.494 191 R N 2.020 122.380 120.500 -0.234 0.000 2.490 191 R HA 0.231 4.577 4.340 0.011 0.000 0.280 191 R C -0.188 175.812 176.300 -0.500 0.000 1.077 191 R CA -0.130 55.455 56.100 -0.858 0.000 1.065 191 R CB 0.351 29.963 30.300 -1.147 0.000 1.003 191 R HN 0.777 nan 8.270 nan 0.000 0.470 192 Q N 4.291 123.737 119.800 -0.591 0.000 2.837 192 Q HA 0.042 4.389 4.340 0.011 0.000 0.235 192 Q C -1.038 174.611 176.000 -0.585 0.000 1.348 192 Q CA -0.285 55.229 55.803 -0.481 0.000 0.990 192 Q CB -0.068 28.470 28.738 -0.334 0.000 1.570 192 Q HN 0.470 nan 8.270 nan 0.000 0.575 193 Y N -0.632 119.316 120.300 -0.587 0.000 2.597 193 Y HA 0.208 4.765 4.550 0.011 0.000 0.336 193 Y C 0.330 176.137 175.900 -0.156 0.000 1.216 193 Y CA -0.328 57.333 58.100 -0.732 0.000 1.463 193 Y CB 0.308 38.291 38.460 -0.794 0.000 1.303 193 Y HN 0.505 nan 8.280 nan 0.000 0.576 194 F N 0.427 120.261 119.950 -0.194 0.000 1.771 194 F HA -0.176 4.358 4.527 0.012 0.000 0.252 194 F C 1.660 177.501 175.800 0.068 0.000 1.272 194 F CA 0.917 58.873 58.000 -0.073 0.000 1.227 194 F CB -1.044 37.812 39.000 -0.240 0.000 2.086 194 F HN 0.413 nan 8.300 nan 0.000 0.104 195 S N 0.887 116.751 115.700 0.274 0.000 2.528 195 S HA -0.150 4.326 4.470 0.011 0.000 0.244 195 S C 1.386 176.083 174.600 0.162 0.000 0.982 195 S CA 1.435 59.737 58.200 0.170 0.000 0.953 195 S CB -0.960 62.412 63.200 0.287 0.000 0.754 195 S HN 0.567 nan 8.310 nan 0.000 0.529 196 Y N 0.954 121.177 120.300 -0.127 0.000 2.395 196 Y HA 0.272 4.829 4.550 0.011 0.000 0.293 196 Y C 1.905 177.726 175.900 -0.131 0.000 1.123 196 Y CA -0.655 57.367 58.100 -0.131 0.000 1.227 196 Y CB -0.540 37.796 38.460 -0.208 0.000 1.012 196 Y HN 0.288 nan 8.280 nan 0.000 0.552 197 I N 0.094 120.645 120.570 -0.032 0.000 2.270 197 I HA -0.105 4.072 4.170 0.011 0.000 0.239 197 I C -0.694 175.321 176.117 -0.171 0.000 1.080 197 I CA 0.694 61.932 61.300 -0.103 0.000 1.383 197 I CB -1.300 36.622 38.000 -0.130 0.000 1.097 197 I HN -0.043 nan 8.210 nan 0.000 0.420 198 P HA -0.016 nan 4.420 nan 0.000 0.234 198 P C 0.563 177.812 177.300 -0.086 0.000 1.167 198 P CA 1.234 64.242 63.100 -0.153 0.000 0.763 198 P CB 0.019 31.619 31.700 -0.167 0.000 0.835 199 N N -1.900 116.751 118.700 -0.082 0.000 2.382 199 N HA 0.156 4.903 4.740 0.011 0.000 0.200 199 N C 0.966 176.495 175.510 0.032 0.000 1.122 199 N CA 0.357 53.398 53.050 -0.015 0.000 0.870 199 N CB 0.851 39.319 38.487 -0.031 0.000 1.176 199 N HN 0.077 nan 8.380 nan 0.000 0.474 200 I N 0.234 120.763 120.570 -0.069 0.000 3.990 200 I HA 0.121 4.298 4.170 0.011 0.000 0.275 200 I C 1.777 177.749 176.117 -0.241 0.000 1.157 200 I CA 0.138 61.386 61.300 -0.087 0.000 1.338 200 I CB -0.214 37.741 38.000 -0.075 0.000 1.588 200 I HN -0.185 nan 8.210 nan 0.000 0.441 201 I N 1.502 121.976 120.570 -0.161 0.000 2.141 201 I HA -0.184 3.993 4.170 0.011 0.000 0.236 201 I C 2.729 178.657 176.117 -0.316 0.000 1.071 201 I CA 1.448 62.654 61.300 -0.157 0.000 1.345 201 I CB -0.974 37.015 38.000 -0.019 0.000 1.066 201 I HN 0.135 nan 8.210 nan 0.000 0.406 202 L N 0.735 121.750 121.223 -0.346 0.000 1.970 202 L HA -0.176 4.170 4.340 0.011 0.000 0.212 202 L C 0.103 176.502 176.870 -0.785 0.000 1.071 202 L CA 2.308 56.790 54.840 -0.596 0.000 0.751 202 L CB -2.364 39.390 42.059 -0.508 0.000 0.889 202 L HN 0.145 nan 8.230 nan 0.000 0.432 203 P HA -0.215 nan 4.420 nan 0.000 0.216 203 P C 1.924 178.784 177.300 -0.735 0.000 1.150 203 P CA 1.613 64.418 63.100 -0.492 0.000 0.843 203 P CB -0.038 31.459 31.700 -0.338 0.000 0.787 204 M N -1.706 117.337 119.600 -0.928 0.000 2.159 204 M HA -0.152 4.334 4.480 0.011 0.000 0.263 204 M C 1.929 177.909 176.300 -0.533 0.000 1.063 204 M CA 1.667 56.498 55.300 -0.782 0.000 1.110 204 M CB -0.546 31.707 32.600 -0.579 0.000 1.374 204 M HN -0.063 nan 8.290 nan 0.000 0.411 205 L N -1.064 119.794 121.223 -0.609 0.000 2.005 205 L HA -0.205 4.142 4.340 0.011 0.000 0.207 205 L C 2.208 178.499 176.870 -0.964 0.000 1.072 205 L CA 1.510 55.867 54.840 -0.805 0.000 0.744 205 L CB -0.642 40.992 42.059 -0.709 0.000 0.895 205 L HN 0.258 nan 8.230 nan 0.000 0.433 206 F N 0.540 120.136 119.950 -0.589 0.000 2.087 206 F HA -0.348 4.186 4.527 0.012 0.000 0.299 206 F C 2.526 178.115 175.800 -0.351 0.000 1.100 206 F CA 1.444 59.219 58.000 -0.374 0.000 1.226 206 F CB -0.490 38.403 39.000 -0.179 0.000 0.983 206 F HN 0.158 nan 8.300 nan 0.000 0.479 207 I N -0.968 119.529 120.570 -0.121 0.000 2.361 207 I HA -0.240 3.936 4.170 0.011 0.000 0.251 207 I C 2.252 178.221 176.117 -0.246 0.000 1.133 207 I CA 1.307 62.545 61.300 -0.103 0.000 1.413 207 I CB -0.676 37.318 38.000 -0.010 0.000 1.073 207 I HN 0.151 nan 8.210 nan 0.000 0.424 208 L N 0.398 121.331 121.223 -0.483 0.000 2.141 208 L HA -0.092 4.255 4.340 0.011 0.000 0.209 208 L C 2.114 178.372 176.870 -1.021 0.000 1.094 208 L CA 1.836 56.179 54.840 -0.828 0.000 0.763 208 L CB -0.591 40.875 42.059 -0.989 0.000 0.908 208 L HN 0.124 nan 8.230 nan 0.000 0.437 209 F N -0.124 119.437 119.950 -0.648 0.000 2.149 209 F HA -0.015 4.519 4.527 0.010 0.000 0.294 209 F C 2.367 177.974 175.800 -0.321 0.000 1.095 209 F CA 0.902 58.603 58.000 -0.498 0.000 1.276 209 F CB -1.125 37.826 39.000 -0.083 0.000 1.023 209 F HN -0.011 nan 8.300 nan 0.000 0.480 210 I N -0.052 120.487 120.570 -0.051 0.000 2.248 210 I HA -0.360 3.817 4.170 0.011 0.000 0.248 210 I C 2.696 178.730 176.117 -0.137 0.000 1.107 210 I CA 1.573 62.829 61.300 -0.074 0.000 1.373 210 I CB -0.806 37.160 38.000 -0.058 0.000 1.055 210 I HN 0.210 nan 8.210 nan 0.000 0.418 211 S N 2.035 117.567 115.700 -0.279 0.000 2.372 211 S HA -0.234 4.243 4.470 0.011 0.000 0.227 211 S C 1.415 175.879 174.600 -0.226 0.000 1.044 211 S CA 2.014 60.012 58.200 -0.336 0.000 1.050 211 S CB -0.541 62.194 63.200 -0.775 0.000 0.901 211 S HN 0.682 nan 8.310 nan 0.000 0.447 212 W N 0.674 121.781 121.300 -0.322 0.000 3.015 212 W HA 0.599 5.264 4.660 0.009 0.000 0.429 212 W C 1.231 177.492 176.519 -0.430 0.000 0.976 212 W CA -0.575 56.413 57.345 -0.594 0.000 2.086 212 W CB -1.455 27.666 29.460 -0.565 0.000 1.125 212 W HN 0.056 nan 8.180 nan 0.000 0.721 213 T N 1.213 115.781 114.554 0.024 0.000 3.051 213 T HA 0.018 4.375 4.350 0.011 0.000 0.269 213 T C 1.743 176.498 174.700 0.091 0.000 1.127 213 T CA 1.782 63.865 62.100 -0.027 0.000 1.107 213 T CB -0.115 68.716 68.868 -0.061 0.000 0.898 213 T HN 0.316 nan 8.240 nan 0.000 0.517 214 A N -0.676 122.134 122.820 -0.015 0.000 2.302 214 A HA 0.354 4.680 4.320 0.011 0.000 0.219 214 A C 1.450 179.167 177.584 0.222 0.000 1.243 214 A CA -0.075 52.000 52.037 0.063 0.000 0.856 214 A CB -0.692 18.310 19.000 0.004 0.000 0.893 214 A HN 0.662 nan 8.150 nan 0.000 0.491 215 F N -2.083 118.088 119.950 0.368 0.000 2.569 215 F HA -0.009 4.524 4.527 0.010 0.000 0.295 215 F C 1.331 177.176 175.800 0.075 0.000 1.115 215 F CA -0.226 57.867 58.000 0.155 0.000 1.450 215 F CB 0.154 39.164 39.000 0.017 0.000 1.107 215 F HN 0.448 nan 8.300 nan 0.000 0.563 216 W N 1.200 122.581 121.300 0.136 0.000 3.121 216 W HA 0.313 4.978 4.660 0.008 0.000 0.441 216 W C 0.352 176.904 176.519 0.055 0.000 0.878 216 W CA -0.081 57.308 57.345 0.072 0.000 2.101 216 W CB 0.213 29.703 29.460 0.049 0.000 1.067 216 W HN -0.210 nan 8.180 nan 0.000 0.834 217 S N -0.864 114.980 115.700 0.240 0.000 2.556 217 S HA 0.415 4.892 4.470 0.011 0.000 0.271 217 S C 0.596 175.275 174.600 0.131 0.000 1.135 217 S CA -0.307 57.993 58.200 0.166 0.000 0.858 217 S CB 1.848 65.140 63.200 0.154 0.000 1.114 217 S HN -0.038 nan 8.310 nan 0.000 0.468 218 T N 1.562 116.182 114.554 0.110 0.000 3.042 218 T HA 0.143 4.500 4.350 0.011 0.000 0.245 218 T C 0.799 175.588 174.700 0.148 0.000 1.029 218 T CA 0.614 62.777 62.100 0.105 0.000 1.120 218 T CB -0.246 68.665 68.868 0.072 0.000 0.917 218 T HN 0.827 nan 8.240 nan 0.000 0.467 219 S N 1.704 117.487 115.700 0.138 0.000 2.516 219 S HA 0.120 4.596 4.470 0.011 0.000 0.282 219 S C 0.603 175.323 174.600 0.200 0.000 1.286 219 S CA -0.615 57.678 58.200 0.156 0.000 1.066 219 S CB 0.334 63.597 63.200 0.105 0.000 0.884 219 S HN 0.302 nan 8.310 nan 0.000 0.491 220 Y N 2.454 122.787 120.300 0.056 0.000 2.286 220 Y HA 0.038 4.593 4.550 0.007 0.000 0.293 220 Y C 2.333 178.217 175.900 -0.027 0.000 1.124 220 Y CA 1.502 59.584 58.100 -0.030 0.000 1.178 220 Y CB -0.340 37.975 38.460 -0.240 0.000 1.010 220 Y HN 0.797 nan 8.280 nan 0.000 0.536 221 E N 0.486 120.717 120.200 0.050 0.000 2.130 221 E HA -0.173 4.184 4.350 0.011 0.000 0.196 221 E C 1.808 178.377 176.600 -0.052 0.000 0.998 221 E CA 1.349 57.731 56.400 -0.029 0.000 0.806 221 E CB -0.299 29.419 29.700 0.030 0.000 0.738 221 E HN 0.468 nan 8.360 nan 0.000 0.459 222 A N -0.306 122.510 122.820 -0.008 0.000 2.348 222 A HA 0.123 4.450 4.320 0.011 0.000 0.224 222 A C 1.373 178.951 177.584 -0.011 0.000 1.227 222 A CA -0.015 52.018 52.037 -0.006 0.000 0.885 222 A CB 0.061 19.074 19.000 0.021 0.000 0.933 222 A HN 0.050 nan 8.150 nan 0.000 0.506 223 N N -0.600 118.085 118.700 -0.025 0.000 2.236 223 N HA 0.042 4.789 4.740 0.011 0.000 0.196 223 N C 1.454 176.907 175.510 -0.096 0.000 1.114 223 N CA 1.188 54.232 53.050 -0.010 0.000 0.859 223 N CB 0.777 39.318 38.487 0.089 0.000 0.982 223 N HN 0.420 nan 8.380 nan 0.000 0.493 224 V N -3.636 116.158 119.914 -0.200 0.000 2.690 224 V HA 0.106 4.233 4.120 0.011 0.000 0.240 224 V C 1.711 177.745 176.094 -0.101 0.000 1.078 224 V CA 0.913 63.089 62.300 -0.207 0.000 1.102 224 V CB -0.980 30.625 31.823 -0.362 0.000 0.800 224 V HN -0.044 nan 8.190 nan 0.000 0.479 225 T N 1.790 116.290 114.554 -0.091 0.000 2.946 225 T HA -0.072 4.285 4.350 0.011 0.000 0.270 225 T C 1.579 176.264 174.700 -0.026 0.000 1.129 225 T CA 1.859 63.932 62.100 -0.046 0.000 1.103 225 T CB -0.300 68.547 68.868 -0.036 0.000 0.839 225 T HN 0.291 nan 8.240 nan 0.000 0.544 226 L N 0.181 121.386 121.223 -0.030 0.000 2.471 226 L HA 0.155 4.502 4.340 0.011 0.000 0.186 226 L C 2.510 179.375 176.870 -0.008 0.000 1.191 226 L CA 0.945 55.774 54.840 -0.018 0.000 0.835 226 L CB -0.794 41.254 42.059 -0.018 0.000 1.092 226 L HN 0.101 nan 8.230 nan 0.000 0.495 227 V N -0.538 119.372 119.914 -0.007 0.000 2.490 227 V HA -0.186 3.941 4.120 0.011 0.000 0.250 227 V C 2.526 178.686 176.094 0.110 0.000 1.061 227 V CA 1.070 63.384 62.300 0.024 0.000 1.064 227 V CB -0.481 31.367 31.823 0.041 0.000 0.670 227 V HN 0.203 nan 8.190 nan 0.000 0.461 228 V N -0.414 119.537 119.914 0.063 0.000 2.346 228 V HA -0.171 3.955 4.120 0.011 0.000 0.244 228 V C 2.618 178.754 176.094 0.070 0.000 1.037 228 V CA 2.105 64.449 62.300 0.073 0.000 1.029 228 V CB -0.360 31.475 31.823 0.020 0.000 0.663 228 V HN 0.528 nan 8.190 nan 0.000 0.454 229 S N 0.326 116.051 115.700 0.041 0.000 2.402 229 S HA -0.230 4.247 4.470 0.011 0.000 0.233 229 S C 2.125 176.764 174.600 0.066 0.000 1.030 229 S CA 2.123 60.346 58.200 0.038 0.000 1.003 229 S CB -0.366 62.845 63.200 0.018 0.000 0.813 229 S HN 0.898 nan 8.310 nan 0.000 0.477 230 T N 0.142 114.760 114.554 0.108 0.000 2.896 230 T HA 0.070 4.427 4.350 0.011 0.000 0.263 230 T C 1.732 176.550 174.700 0.198 0.000 1.050 230 T CA 0.752 62.953 62.100 0.168 0.000 1.140 230 T CB -0.521 68.457 68.868 0.184 0.000 0.877 230 T HN 0.227 nan 8.240 nan 0.000 0.457 231 L N 0.975 122.315 121.223 0.195 0.000 2.079 231 L HA 0.093 4.440 4.340 0.011 0.000 0.210 231 L C 2.292 179.116 176.870 -0.078 0.000 1.081 231 L CA 1.259 55.991 54.840 -0.181 0.000 0.752 231 L CB -0.782 41.250 42.059 -0.044 0.000 0.896 231 L HN 0.320 nan 8.230 nan 0.000 0.433 232 I N -0.496 120.081 120.570 0.013 0.000 2.069 232 I HA -0.388 3.789 4.170 0.011 0.000 0.237 232 I C 2.525 178.653 176.117 0.018 0.000 1.053 232 I CA 1.567 62.877 61.300 0.017 0.000 1.311 232 I CB -0.631 37.380 38.000 0.019 0.000 1.030 232 I HN 0.380 nan 8.210 nan 0.000 0.398 233 A N -0.459 122.389 122.820 0.047 0.000 2.093 233 A HA -0.341 3.986 4.320 0.011 0.000 0.222 233 A C 2.042 179.727 177.584 0.167 0.000 1.162 233 A CA 2.377 54.468 52.037 0.090 0.000 0.655 233 A CB -1.097 17.986 19.000 0.138 0.000 0.805 233 A HN 0.660 nan 8.150 nan 0.000 0.461 234 H N -0.563 118.484 119.070 -0.038 0.000 2.403 234 H HA 0.099 4.662 4.556 0.011 0.000 0.298 234 H C 1.664 176.931 175.328 -0.102 0.000 1.059 234 H CA 1.585 57.561 56.048 -0.120 0.000 1.363 234 H CB -0.180 29.265 29.762 -0.529 0.000 1.410 234 H HN 0.435 nan 8.280 nan 0.000 0.528 235 I N 0.419 120.948 120.570 -0.068 0.000 2.361 235 I HA -0.231 3.946 4.170 0.011 0.000 0.251 235 I C 2.672 178.725 176.117 -0.107 0.000 1.133 235 I CA 0.959 62.236 61.300 -0.038 0.000 1.413 235 I CB -0.457 37.570 38.000 0.044 0.000 1.073 235 I HN 0.392 nan 8.210 nan 0.000 0.424 236 A N 0.799 123.535 122.820 -0.140 0.000 1.948 236 A HA -0.207 4.119 4.320 0.011 0.000 0.220 236 A C 2.046 179.353 177.584 -0.462 0.000 1.177 236 A CA 1.793 53.654 52.037 -0.293 0.000 0.636 236 A CB -0.898 17.885 19.000 -0.361 0.000 0.815 236 A HN 0.401 nan 8.150 nan 0.000 0.449 237 F N -0.721 119.087 119.950 -0.236 0.000 2.317 237 F HA 0.025 4.558 4.527 0.011 0.000 0.293 237 F C 2.112 177.742 175.800 -0.283 0.000 1.085 237 F CA 0.982 58.822 58.000 -0.265 0.000 1.390 237 F CB -0.518 38.297 39.000 -0.308 0.000 1.077 237 F HN 0.305 nan 8.300 nan 0.000 0.517 238 N N 0.964 119.540 118.700 -0.207 0.000 2.149 238 N HA -0.186 4.560 4.740 0.011 0.000 0.188 238 N C 1.648 177.124 175.510 -0.058 0.000 1.019 238 N CA 1.418 54.396 53.050 -0.121 0.000 0.857 238 N CB -0.263 38.218 38.487 -0.012 0.000 0.997 238 N HN 0.263 nan 8.380 nan 0.000 0.426 239 I N -0.657 119.862 120.570 -0.085 0.000 2.584 239 I HA -0.062 4.115 4.170 0.011 0.000 0.255 239 I C 1.722 177.776 176.117 -0.105 0.000 1.145 239 I CA 0.157 61.409 61.300 -0.081 0.000 1.462 239 I CB 0.054 38.005 38.000 -0.081 0.000 1.102 239 I HN 0.208 nan 8.210 nan 0.000 0.433 240 L N -0.228 120.911 121.223 -0.140 0.000 2.201 240 L HA -0.128 4.218 4.340 0.011 0.000 0.212 240 L C 2.082 178.892 176.870 -0.100 0.000 1.105 240 L CA 1.666 56.420 54.840 -0.142 0.000 0.775 240 L CB -0.100 41.837 42.059 -0.203 0.000 0.913 240 L HN -0.004 nan 8.230 nan 0.000 0.440 241 V N -1.321 118.549 119.914 -0.073 0.000 2.575 241 V HA -0.091 4.036 4.120 0.011 0.000 0.242 241 V C 2.244 178.276 176.094 -0.103 0.000 1.045 241 V CA 1.130 63.398 62.300 -0.053 0.000 1.065 241 V CB -0.234 31.598 31.823 0.014 0.000 0.717 241 V HN 0.452 nan 8.190 nan 0.000 0.467 242 E N -0.100 120.046 120.200 -0.089 0.000 2.401 242 E HA -0.204 4.153 4.350 0.011 0.000 0.199 242 E C 1.980 178.501 176.600 -0.132 0.000 1.023 242 E CA 1.401 57.737 56.400 -0.108 0.000 0.859 242 E CB 0.129 29.791 29.700 -0.064 0.000 0.780 242 E HN 0.551 nan 8.360 nan 0.000 0.523 243 T N 0.095 114.578 114.554 -0.119 0.000 2.866 243 T HA 0.028 4.385 4.350 0.011 0.000 0.250 243 T C 1.112 175.739 174.700 -0.121 0.000 1.033 243 T CA 0.223 62.258 62.100 -0.109 0.000 1.145 243 T CB 0.025 68.840 68.868 -0.088 0.000 0.866 243 T HN 0.118 nan 8.240 nan 0.000 0.434 244 N N 1.834 120.462 118.700 -0.119 0.000 2.906 244 N HA 0.213 4.960 4.740 0.011 0.000 0.282 244 N C -1.190 174.188 175.510 -0.220 0.000 1.293 244 N CA 0.152 53.141 53.050 -0.102 0.000 1.059 244 N CB 0.015 38.485 38.487 -0.028 0.000 1.388 244 N HN 0.170 nan 8.380 nan 0.000 0.533 245 L N 0.659 121.697 121.223 -0.308 0.000 2.666 245 L HA 0.339 4.685 4.340 0.011 0.000 0.259 245 L C -2.448 174.164 176.870 -0.430 0.000 0.919 245 L CA -1.370 53.135 54.840 -0.559 0.000 0.927 245 L CB 2.382 44.013 42.059 -0.713 0.000 1.423 245 L HN -0.031 nan 8.230 nan 0.000 0.426 246 P HA 0.176 nan 4.420 nan 0.000 0.274 246 P C -0.986 176.164 177.300 -0.250 0.000 1.246 246 P CA -0.496 62.446 63.100 -0.263 0.000 0.795 246 P CB 0.548 32.157 31.700 -0.153 0.000 1.006 247 K N 1.358 121.664 120.400 -0.157 0.000 2.081 247 K HA 0.097 4.424 4.320 0.011 0.000 0.230 247 K C 0.395 176.896 176.600 -0.164 0.000 1.199 247 K CA 0.267 56.465 56.287 -0.148 0.000 1.130 247 K CB -1.564 30.879 32.500 -0.095 0.000 1.386 247 K HN 0.521 nan 8.250 nan 0.000 0.280 248 T N -0.388 113.998 114.554 -0.281 0.000 2.934 248 T HA 0.096 4.453 4.350 0.011 0.000 0.306 248 T C -1.060 173.413 174.700 -0.378 0.000 1.042 248 T CA -1.015 60.799 62.100 -0.477 0.000 1.145 248 T CB 0.761 69.077 68.868 -0.921 0.000 0.982 248 T HN 0.232 nan 8.240 nan 0.000 0.544 249 P HA 0.144 nan 4.420 nan 0.000 0.249 249 P C -0.291 177.040 177.300 0.052 0.000 1.229 249 P CA 0.111 63.192 63.100 -0.031 0.000 0.788 249 P CB -0.180 31.572 31.700 0.087 0.000 1.072 250 Y N -1.915 118.412 120.300 0.044 0.000 2.772 250 Y HA 0.781 5.337 4.550 0.011 0.000 0.324 250 Y C 0.053 175.992 175.900 0.064 0.000 1.169 250 Y CA -2.276 55.857 58.100 0.055 0.000 1.198 250 Y CB 0.052 38.549 38.460 0.063 0.000 1.402 250 Y HN -0.358 nan 8.280 nan 0.000 0.577 251 M N 2.053 121.842 119.600 0.314 0.000 2.205 251 M HA 0.424 4.911 4.480 0.011 0.000 0.344 251 M C -0.796 175.715 176.300 0.351 0.000 1.085 251 M CA -0.326 55.119 55.300 0.242 0.000 1.001 251 M CB 1.392 34.128 32.600 0.226 0.000 1.626 251 M HN 0.847 nan 8.290 nan 0.000 0.442 252 T N 2.539 117.246 114.554 0.254 0.000 2.860 252 T HA 0.086 4.442 4.350 0.011 0.000 0.299 252 T C 0.602 175.579 174.700 0.461 0.000 1.045 252 T CA -0.277 62.003 62.100 0.300 0.000 1.071 252 T CB 0.377 69.382 68.868 0.228 0.000 0.985 252 T HN 0.703 nan 8.240 nan 0.000 0.537 253 Y N 1.906 122.414 120.300 0.347 0.000 2.163 253 Y HA -0.118 4.439 4.550 0.011 0.000 0.288 253 Y C 2.641 178.864 175.900 0.539 0.000 1.136 253 Y CA 2.165 60.685 58.100 0.700 0.000 1.147 253 Y CB -1.083 37.762 38.460 0.642 0.000 0.987 253 Y HN 0.779 nan 8.280 nan 0.000 0.509 254 T N -1.403 113.394 114.554 0.405 0.000 2.951 254 T HA -0.041 4.316 4.350 0.011 0.000 0.268 254 T C 2.106 176.913 174.700 0.178 0.000 1.073 254 T CA 0.993 63.237 62.100 0.239 0.000 1.134 254 T CB -1.018 68.091 68.868 0.401 0.000 0.884 254 T HN 0.484 nan 8.240 nan 0.000 0.479 255 G N 1.058 109.986 108.800 0.215 0.000 2.443 255 G HA2 0.131 4.098 3.960 0.011 0.000 0.219 255 G HA3 0.131 4.098 3.960 0.011 0.000 0.219 255 G C 1.662 176.682 174.900 0.200 0.000 1.131 255 G CA 0.652 45.856 45.100 0.174 0.000 0.775 255 G HN 0.623 nan 8.290 nan 0.000 0.547 256 A N 1.708 124.643 122.820 0.192 0.000 1.821 256 A HA 0.051 4.378 4.320 0.011 0.000 0.215 256 A C 2.401 180.058 177.584 0.121 0.000 1.214 256 A CA 1.483 53.608 52.037 0.146 0.000 0.608 256 A CB -0.632 18.434 19.000 0.109 0.000 0.862 256 A HN 0.703 nan 8.150 nan 0.000 0.448 257 I N -2.272 118.269 120.570 -0.047 0.000 2.454 257 I HA -0.126 4.050 4.170 0.011 0.000 0.254 257 I C 2.098 178.252 176.117 0.062 0.000 1.156 257 I CA 1.595 62.860 61.300 -0.059 0.000 1.433 257 I CB -0.209 37.669 38.000 -0.204 0.000 1.082 257 I HN 0.325 nan 8.210 nan 0.000 0.432 258 I N 0.011 120.653 120.570 0.120 0.000 2.676 258 I HA -0.198 3.979 4.170 0.011 0.000 0.259 258 I C 2.081 178.384 176.117 0.310 0.000 1.194 258 I CA 1.169 62.572 61.300 0.172 0.000 1.473 258 I CB 0.060 38.135 38.000 0.126 0.000 1.096 258 I HN 0.399 nan 8.210 nan 0.000 0.443 259 F N -0.027 120.042 119.950 0.199 0.000 2.505 259 F HA 0.015 4.549 4.527 0.012 0.000 0.289 259 F C 2.173 178.109 175.800 0.227 0.000 1.101 259 F CA 0.447 58.636 58.000 0.316 0.000 1.446 259 F CB -0.000 39.123 39.000 0.205 0.000 1.123 259 F HN -0.123 nan 8.300 nan 0.000 0.564 260 M N 0.316 120.105 119.600 0.315 0.000 2.202 260 M HA -0.178 4.309 4.480 0.011 0.000 0.262 260 M C 1.728 178.042 176.300 0.023 0.000 1.063 260 M CA 1.534 56.934 55.300 0.166 0.000 1.097 260 M CB -0.322 32.321 32.600 0.071 0.000 1.382 260 M HN 0.196 nan 8.290 nan 0.000 0.413 261 I N 0.066 120.612 120.570 -0.039 0.000 2.179 261 I HA -0.278 3.899 4.170 0.011 0.000 0.242 261 I C 2.113 178.167 176.117 -0.105 0.000 1.088 261 I CA 1.476 62.679 61.300 -0.161 0.000 1.357 261 I CB -1.881 35.932 38.000 -0.312 0.000 1.051 261 I HN 0.270 nan 8.210 nan 0.000 0.409 262 Y N 0.497 120.660 120.300 -0.228 0.000 2.271 262 Y HA -0.268 4.288 4.550 0.011 0.000 0.284 262 Y C 2.343 178.223 175.900 -0.032 0.000 1.189 262 Y CA 1.137 59.086 58.100 -0.252 0.000 1.229 262 Y CB -0.504 37.722 38.460 -0.390 0.000 0.973 262 Y HN 0.101 nan 8.280 nan 0.000 0.537 263 L N -2.060 119.277 121.223 0.190 0.000 2.044 263 L HA -0.142 4.205 4.340 0.011 0.000 0.205 263 L C 1.920 179.037 176.870 0.412 0.000 1.075 263 L CA 1.418 56.439 54.840 0.302 0.000 0.747 263 L CB -1.682 40.568 42.059 0.318 0.000 0.903 263 L HN 0.107 nan 8.230 nan 0.000 0.435 264 F N -1.744 118.254 119.950 0.081 0.000 2.664 264 F HA -0.170 4.363 4.527 0.011 0.000 0.297 264 F C 1.962 177.776 175.800 0.022 0.000 1.164 264 F CA 0.482 58.468 58.000 -0.024 0.000 1.472 264 F CB -1.015 37.977 39.000 -0.013 0.000 1.108 264 F HN 0.104 nan 8.300 nan 0.000 0.596 265 Y N -3.248 117.163 120.300 0.184 0.000 2.524 265 Y HA 0.030 4.587 4.550 0.011 0.000 0.270 265 Y C 2.083 178.127 175.900 0.240 0.000 1.094 265 Y CA 0.060 58.249 58.100 0.148 0.000 1.276 265 Y CB -0.388 38.095 38.460 0.040 0.000 1.130 265 Y HN -0.008 nan 8.280 nan 0.000 0.536 266 F N 0.041 120.143 119.950 0.254 0.000 2.179 266 F HA -0.090 4.444 4.527 0.013 0.000 0.292 266 F C 2.305 178.218 175.800 0.188 0.000 1.089 266 F CA 1.344 59.455 58.000 0.184 0.000 1.295 266 F CB -0.559 38.516 39.000 0.125 0.000 1.041 266 F HN -0.118 nan 8.300 nan 0.000 0.487 267 V N -1.173 118.872 119.914 0.218 0.000 2.719 267 V HA 0.057 4.184 4.120 0.011 0.000 0.252 267 V C 2.277 178.636 176.094 0.442 0.000 1.065 267 V CA 1.279 63.694 62.300 0.192 0.000 1.086 267 V CB -1.676 30.224 31.823 0.129 0.000 0.700 267 V HN 0.275 nan 8.190 nan 0.000 0.467 268 A N 0.402 123.539 122.820 0.528 0.000 1.873 268 A HA -0.065 4.262 4.320 0.011 0.000 0.215 268 A C 2.321 180.123 177.584 0.363 0.000 1.186 268 A CA 2.055 54.515 52.037 0.704 0.000 0.616 268 A CB -0.850 18.476 19.000 0.543 0.000 0.823 268 A HN 0.445 nan 8.150 nan 0.000 0.442 269 V N 0.248 120.287 119.914 0.208 0.000 3.141 269 V HA -0.119 4.008 4.120 0.011 0.000 0.265 269 V C 2.156 178.271 176.094 0.036 0.000 1.126 269 V CA 0.888 63.255 62.300 0.110 0.000 1.141 269 V CB -0.428 31.442 31.823 0.079 0.000 0.743 269 V HN 0.461 nan 8.190 nan 0.000 0.492 270 I N -0.101 120.464 120.570 -0.008 0.000 2.235 270 I HA -0.093 4.084 4.170 0.011 0.000 0.241 270 I C 2.587 178.742 176.117 0.063 0.000 1.085 270 I CA 1.391 62.664 61.300 -0.044 0.000 1.378 270 I CB -1.026 36.922 38.000 -0.087 0.000 1.076 270 I HN 0.370 nan 8.210 nan 0.000 0.415 271 E N 1.386 121.662 120.200 0.126 0.000 2.049 271 E HA -0.197 4.159 4.350 0.011 0.000 0.198 271 E C 2.147 178.825 176.600 0.129 0.000 1.007 271 E CA 2.523 58.974 56.400 0.085 0.000 0.809 271 E CB -0.195 29.512 29.700 0.011 0.000 0.749 271 E HN 0.339 nan 8.360 nan 0.000 0.450 272 V N -0.805 119.240 119.914 0.219 0.000 2.594 272 V HA -0.153 3.974 4.120 0.011 0.000 0.253 272 V C 2.361 178.626 176.094 0.285 0.000 1.069 272 V CA 2.136 64.593 62.300 0.261 0.000 1.082 272 V CB -1.285 30.705 31.823 0.279 0.000 0.680 272 V HN 0.088 nan 8.190 nan 0.000 0.469 273 T N -0.055 114.643 114.554 0.240 0.000 2.812 273 T HA -0.046 4.311 4.350 0.011 0.000 0.264 273 T C 1.906 176.645 174.700 0.065 0.000 1.042 273 T CA 1.719 63.917 62.100 0.164 0.000 1.140 273 T CB -0.028 68.920 68.868 0.132 0.000 0.870 273 T HN 0.331 nan 8.240 nan 0.000 0.445 274 V N 1.475 121.433 119.914 0.073 0.000 2.871 274 V HA 0.017 4.143 4.120 0.011 0.000 0.256 274 V C 2.227 178.346 176.094 0.042 0.000 1.082 274 V CA 1.077 63.413 62.300 0.060 0.000 1.105 274 V CB -0.302 31.541 31.823 0.033 0.000 0.713 274 V HN 0.472 nan 8.190 nan 0.000 0.473 275 Q N -1.227 118.601 119.800 0.048 0.000 2.452 275 Q HA -0.153 4.194 4.340 0.011 0.000 0.214 275 Q C 1.300 177.331 176.000 0.052 0.000 0.966 275 Q CA 0.946 56.767 55.803 0.031 0.000 0.964 275 Q CB 0.031 28.797 28.738 0.047 0.000 0.992 275 Q HN 0.845 nan 8.270 nan 0.000 0.517 276 H N -1.828 117.186 119.070 -0.092 0.000 2.089 276 H HA 0.041 4.601 4.556 0.008 0.000 0.206 276 H C 0.064 175.345 175.328 -0.078 0.000 0.872 276 H CA 0.021 55.974 56.048 -0.159 0.000 0.979 276 H CB 0.098 29.599 29.762 -0.435 0.000 1.266 276 H HN 0.252 nan 8.280 nan 0.000 0.389 277 Y N 0.829 121.091 120.300 -0.062 0.000 2.487 277 Y HA 0.206 4.762 4.550 0.010 0.000 0.339 277 Y C 0.200 176.049 175.900 -0.086 0.000 1.191 277 Y CA 0.352 58.403 58.100 -0.081 0.000 1.279 277 Y CB 0.019 38.457 38.460 -0.035 0.000 1.122 277 Y HN 0.282 nan 8.280 nan 0.000 0.500 278 L N 0.295 121.438 121.223 -0.134 0.000 3.631 278 L HA 0.258 4.605 4.340 0.011 0.000 0.346 278 L C 0.230 177.010 176.870 -0.150 0.000 1.329 278 L CA 0.112 54.861 54.840 -0.151 0.000 1.018 278 L CB 0.197 42.212 42.059 -0.072 0.000 1.412 278 L HN 0.033 nan 8.230 nan 0.000 0.618 279 K N -1.271 119.011 120.400 -0.197 0.000 2.618 279 K HA 0.171 4.498 4.320 0.011 0.000 0.205 279 K C 0.874 177.326 176.600 -0.246 0.000 1.445 279 K CA 0.957 57.132 56.287 -0.186 0.000 1.034 279 K CB 0.843 33.256 32.500 -0.145 0.000 1.209 279 K HN 0.170 nan 8.250 nan 0.000 0.627 280 V N -1.790 117.938 119.914 -0.310 0.000 3.379 280 V HA 0.298 4.425 4.120 0.011 0.000 0.249 280 V C 0.291 176.236 176.094 -0.249 0.000 1.184 280 V CA -0.071 62.059 62.300 -0.284 0.000 1.106 280 V CB 0.243 31.878 31.823 -0.314 0.000 0.826 280 V HN 0.025 nan 8.190 nan 0.000 0.465 281 E N 2.141 122.150 120.200 -0.318 0.000 2.180 281 E HA 0.276 4.633 4.350 0.011 0.000 0.283 281 E C -0.178 176.299 176.600 -0.205 0.000 1.061 281 E CA 0.013 56.234 56.400 -0.299 0.000 0.861 281 E CB 1.427 30.876 29.700 -0.419 0.000 1.056 281 E HN 0.338 nan 8.360 nan 0.000 0.407 282 S N 3.202 118.809 115.700 -0.154 0.000 4.027 282 S HA -0.049 4.428 4.470 0.011 0.000 0.188 282 S C 0.661 175.198 174.600 -0.106 0.000 1.230 282 S CA 0.379 58.508 58.200 -0.118 0.000 0.920 282 S CB -0.378 62.767 63.200 -0.092 0.000 1.577 282 S HN 0.398 nan 8.310 nan 0.000 0.445 283 Q N 1.188 120.918 119.800 -0.116 0.000 2.215 283 Q HA 0.212 4.558 4.340 0.011 0.000 0.337 283 Q C -2.265 173.679 176.000 -0.094 0.000 0.887 283 Q CA -1.505 54.238 55.803 -0.100 0.000 1.134 283 Q CB 0.467 29.141 28.738 -0.106 0.000 1.303 283 Q HN 0.236 nan 8.270 nan 0.000 0.421 284 P HA -0.096 nan 4.420 nan 0.000 0.234 284 P C 0.901 178.156 177.300 -0.076 0.000 1.162 284 P CA 1.082 64.133 63.100 -0.081 0.000 0.759 284 P CB 0.122 31.779 31.700 -0.073 0.000 0.813 285 A N 0.228 123.005 122.820 -0.073 0.000 1.884 285 A HA -0.278 4.049 4.320 0.011 0.000 0.219 285 A C 2.389 179.927 177.584 -0.076 0.000 1.197 285 A CA 2.187 54.183 52.037 -0.069 0.000 0.637 285 A CB -0.986 17.975 19.000 -0.064 0.000 0.827 285 A HN 0.063 nan 8.150 nan 0.000 0.450 286 R N -0.972 119.481 120.500 -0.079 0.000 2.140 286 R HA 0.274 4.620 4.340 0.011 0.000 0.213 286 R C 2.240 178.485 176.300 -0.092 0.000 1.059 286 R CA 1.242 57.292 56.100 -0.083 0.000 1.000 286 R CB -0.675 29.579 30.300 -0.077 0.000 0.910 286 R HN 0.463 nan 8.270 nan 0.000 0.455 287 A N 0.500 123.267 122.820 -0.089 0.000 1.834 287 A HA -0.069 4.258 4.320 0.011 0.000 0.216 287 A C 1.985 179.508 177.584 -0.102 0.000 1.203 287 A CA 1.757 53.742 52.037 -0.086 0.000 0.621 287 A CB -1.233 17.721 19.000 -0.077 0.000 0.841 287 A HN 0.354 nan 8.150 nan 0.000 0.446 288 A N -1.062 121.698 122.820 -0.099 0.000 2.250 288 A HA 0.302 4.628 4.320 0.011 0.000 0.208 288 A C 1.894 179.393 177.584 -0.141 0.000 1.254 288 A CA 1.251 53.217 52.037 -0.119 0.000 0.858 288 A CB -0.569 18.372 19.000 -0.098 0.000 0.820 288 A HN 0.451 nan 8.150 nan 0.000 0.484 289 S N -0.673 114.946 115.700 -0.136 0.000 2.433 289 S HA 0.091 4.568 4.470 0.011 0.000 0.216 289 S C 1.818 176.309 174.600 -0.183 0.000 1.031 289 S CA 0.512 58.625 58.200 -0.144 0.000 0.931 289 S CB -0.299 62.833 63.200 -0.114 0.000 0.875 289 S HN 0.514 nan 8.310 nan 0.000 0.553 290 I N 1.626 122.091 120.570 -0.175 0.000 2.068 290 I HA -0.270 3.907 4.170 0.011 0.000 0.238 290 I C 2.429 178.350 176.117 -0.327 0.000 1.046 290 I CA 1.776 62.943 61.300 -0.221 0.000 1.306 290 I CB -0.891 37.002 38.000 -0.177 0.000 1.023 290 I HN 0.341 nan 8.210 nan 0.000 0.399 291 T N 0.341 114.717 114.554 -0.295 0.000 2.721 291 T HA -0.259 4.098 4.350 0.011 0.000 0.268 291 T C 2.052 176.455 174.700 -0.495 0.000 1.038 291 T CA 1.297 63.177 62.100 -0.366 0.000 1.145 291 T CB -0.297 68.452 68.868 -0.199 0.000 0.858 291 T HN 0.188 nan 8.240 nan 0.000 0.459 292 R N 0.836 121.097 120.500 -0.398 0.000 2.092 292 R HA 0.118 4.465 4.340 0.011 0.000 0.231 292 R C 2.572 178.613 176.300 -0.432 0.000 1.119 292 R CA 1.492 57.340 56.100 -0.421 0.000 0.970 292 R CB -0.922 29.203 30.300 -0.291 0.000 0.864 292 R HN 0.461 nan 8.270 nan 0.000 0.440 293 A N -0.122 122.465 122.820 -0.389 0.000 1.855 293 A HA -0.089 4.238 4.320 0.011 0.000 0.215 293 A C 2.288 179.583 177.584 -0.483 0.000 1.191 293 A CA 1.697 53.523 52.037 -0.352 0.000 0.613 293 A CB -0.673 18.161 19.000 -0.277 0.000 0.829 293 A HN 0.332 nan 8.150 nan 0.000 0.442 294 S N -0.077 115.179 115.700 -0.739 0.000 2.423 294 S HA -0.232 4.245 4.470 0.011 0.000 0.238 294 S C 1.855 175.822 174.600 -1.056 0.000 1.028 294 S CA 1.597 59.053 58.200 -1.239 0.000 1.000 294 S CB -0.423 61.504 63.200 -2.122 0.000 0.797 294 S HN 0.599 nan 8.310 nan 0.000 0.487 295 R N -0.013 120.033 120.500 -0.757 0.000 2.241 295 R HA 0.023 4.370 4.340 0.011 0.000 0.224 295 R C 1.277 177.515 176.300 -0.103 0.000 1.101 295 R CA 0.797 56.694 56.100 -0.339 0.000 0.995 295 R CB -0.133 29.722 30.300 -0.742 0.000 0.870 295 R HN 0.381 nan 8.270 nan 0.000 0.463 296 I N -1.165 119.283 120.570 -0.204 0.000 3.570 296 I HA 0.105 4.282 4.170 0.011 0.000 0.270 296 I C 2.284 178.357 176.117 -0.075 0.000 1.162 296 I CA 0.549 61.791 61.300 -0.098 0.000 1.413 296 I CB -1.281 36.667 38.000 -0.086 0.000 1.437 296 I HN -0.011 nan 8.210 nan 0.000 0.457 297 A N 1.734 124.482 122.820 -0.120 0.000 1.894 297 A HA -0.283 4.043 4.320 0.011 0.000 0.220 297 A C 2.313 179.991 177.584 0.158 0.000 1.237 297 A CA 2.123 54.154 52.037 -0.009 0.000 0.660 297 A CB -1.361 17.601 19.000 -0.063 0.000 0.835 297 A HN 0.350 nan 8.150 nan 0.000 0.461 298 F N -0.041 119.760 119.950 -0.248 0.000 2.014 298 F HA -0.119 4.415 4.527 0.012 0.000 0.295 298 F C -0.083 175.640 175.800 -0.128 0.000 1.145 298 F CA 1.375 59.205 58.000 -0.282 0.000 1.178 298 F CB -1.265 37.446 39.000 -0.483 0.000 0.972 298 F HN 0.190 nan 8.300 nan 0.000 0.476 299 P HA -0.134 nan 4.420 nan 0.000 0.219 299 P C 1.488 178.980 177.300 0.320 0.000 1.146 299 P CA 1.152 64.340 63.100 0.147 0.000 0.808 299 P CB -0.019 31.680 31.700 -0.002 0.000 0.779 300 V N -0.877 119.159 119.914 0.204 0.000 2.331 300 V HA -0.146 3.981 4.120 0.011 0.000 0.242 300 V C 2.422 178.657 176.094 0.236 0.000 1.034 300 V CA 1.384 63.796 62.300 0.186 0.000 1.027 300 V CB -1.206 30.677 31.823 0.099 0.000 0.667 300 V HN -0.078 nan 8.190 nan 0.000 0.457 301 V N -0.072 119.986 119.914 0.240 0.000 2.380 301 V HA -0.316 3.811 4.120 0.011 0.000 0.251 301 V C 2.136 178.524 176.094 0.490 0.000 1.063 301 V CA 2.581 65.039 62.300 0.264 0.000 1.055 301 V CB -0.795 31.106 31.823 0.131 0.000 0.657 301 V HN 0.551 nan 8.190 nan 0.000 0.455 302 F N 0.340 120.638 119.950 0.580 0.000 2.022 302 F HA -0.147 4.388 4.527 0.012 0.000 0.293 302 F C 2.173 178.129 175.800 0.260 0.000 1.142 302 F CA 1.987 60.322 58.000 0.558 0.000 1.177 302 F CB -0.615 38.804 39.000 0.698 0.000 0.982 302 F HN 0.054 nan 8.300 nan 0.000 0.473 303 L N -0.178 121.224 121.223 0.299 0.000 2.270 303 L HA -0.217 4.130 4.340 0.011 0.000 0.217 303 L C 2.045 178.923 176.870 0.014 0.000 1.107 303 L CA 1.235 56.130 54.840 0.092 0.000 0.772 303 L CB -0.389 41.794 42.059 0.207 0.000 0.902 303 L HN 0.408 nan 8.230 nan 0.000 0.439 304 L N -0.753 120.513 121.223 0.072 0.000 2.127 304 L HA 0.047 4.394 4.340 0.011 0.000 0.203 304 L C 2.551 179.430 176.870 0.015 0.000 1.080 304 L CA 1.537 56.404 54.840 0.046 0.000 0.768 304 L CB -0.424 41.683 42.059 0.079 0.000 0.924 304 L HN 0.209 nan 8.230 nan 0.000 0.444 305 A N -0.866 121.974 122.820 0.033 0.000 2.067 305 A HA -0.185 4.142 4.320 0.011 0.000 0.219 305 A C 1.946 179.457 177.584 -0.121 0.000 1.158 305 A CA 1.858 53.899 52.037 0.007 0.000 0.661 305 A CB -0.750 18.325 19.000 0.125 0.000 0.801 305 A HN 0.569 nan 8.150 nan 0.000 0.452 306 N N -0.797 117.754 118.700 -0.248 0.000 2.395 306 N HA 0.133 4.880 4.740 0.011 0.000 0.175 306 N C 1.373 176.824 175.510 -0.097 0.000 1.029 306 N CA 0.592 53.486 53.050 -0.259 0.000 0.897 306 N CB -0.122 38.097 38.487 -0.447 0.000 0.991 306 N HN 0.488 nan 8.380 nan 0.000 0.441 307 I N 0.092 120.625 120.570 -0.061 0.000 2.500 307 I HA -0.125 4.052 4.170 0.011 0.000 0.252 307 I C 1.253 177.404 176.117 0.056 0.000 1.142 307 I CA 0.439 61.737 61.300 -0.003 0.000 1.451 307 I CB 0.059 38.049 38.000 -0.017 0.000 1.093 307 I HN 0.137 nan 8.210 nan 0.000 0.430 308 I N -0.052 120.536 120.570 0.031 0.000 2.233 308 I HA -0.213 3.963 4.170 0.011 0.000 0.243 308 I C 2.403 178.573 176.117 0.088 0.000 1.093 308 I CA 1.469 62.812 61.300 0.072 0.000 1.380 308 I CB -1.032 36.992 38.000 0.040 0.000 1.067 308 I HN 0.185 nan 8.210 nan 0.000 0.413 309 L N 1.076 122.307 121.223 0.013 0.000 1.988 309 L HA -0.073 4.274 4.340 0.011 0.000 0.207 309 L C 2.662 179.576 176.870 0.073 0.000 1.071 309 L CA 2.166 56.982 54.840 -0.040 0.000 0.744 309 L CB -1.077 40.922 42.059 -0.100 0.000 0.893 309 L HN 0.209 nan 8.230 nan 0.000 0.433 310 A N -0.735 122.174 122.820 0.149 0.000 1.869 310 A HA -0.358 3.968 4.320 0.011 0.000 0.218 310 A C 2.337 180.023 177.584 0.170 0.000 1.203 310 A CA 2.361 54.498 52.037 0.166 0.000 0.638 310 A CB -1.465 17.521 19.000 -0.023 0.000 0.831 310 A HN 0.532 nan 8.150 nan 0.000 0.450 311 F N 0.048 120.021 119.950 0.038 0.000 2.154 311 F HA -0.173 4.361 4.527 0.011 0.000 0.301 311 F C 1.745 177.639 175.800 0.156 0.000 1.087 311 F CA 1.757 59.803 58.000 0.078 0.000 1.274 311 F CB -0.263 38.761 39.000 0.040 0.000 1.009 311 F HN 0.194 nan 8.300 nan 0.000 0.485 312 L N -0.817 120.443 121.223 0.062 0.000 2.191 312 L HA -0.160 4.187 4.340 0.011 0.000 0.212 312 L C 1.675 178.637 176.870 0.153 0.000 1.103 312 L CA 1.703 56.521 54.840 -0.036 0.000 0.769 312 L CB -1.012 41.012 42.059 -0.059 0.000 0.908 312 L HN 0.159 nan 8.230 nan 0.000 0.438 313 F N -2.492 117.568 119.950 0.184 0.000 2.419 313 F HA 0.123 4.656 4.527 0.011 0.000 0.283 313 F C 1.993 177.888 175.800 0.159 0.000 1.044 313 F CA 0.457 58.608 58.000 0.252 0.000 1.376 313 F CB -0.664 38.622 39.000 0.477 0.000 1.131 313 F HN -0.044 nan 8.300 nan 0.000 0.585 314 F N -0.247 119.742 119.950 0.065 0.000 2.317 314 F HA 0.256 4.790 4.527 0.011 0.000 0.290 314 F C 2.568 178.312 175.800 -0.092 0.000 1.075 314 F CA 0.829 58.792 58.000 -0.062 0.000 1.380 314 F CB -1.485 37.433 39.000 -0.137 0.000 1.093 314 F HN -0.090 nan 8.300 nan 0.000 0.524 315 G N -1.174 107.654 108.800 0.047 0.000 2.956 315 G HA2 0.024 3.991 3.960 0.011 0.000 0.207 315 G HA3 0.024 3.991 3.960 0.011 0.000 0.207 315 G C -0.112 174.653 174.900 -0.226 0.000 1.162 315 G CA 0.346 45.372 45.100 -0.123 0.000 0.796 315 G HN 0.210 nan 8.290 nan 0.000 0.527 316 F N 0.000 119.776 119.950 -0.290 0.000 2.286 316 F HA 0.000 4.534 4.527 0.011 0.000 0.279 316 F CA 0.000 57.881 58.000 -0.199 0.000 1.383 316 F CB 0.000 38.865 39.000 -0.226 0.000 1.145 316 F HN 0.000 nan 8.300 nan 0.000 0.574