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 1t0l_1_C DATA FIRST_RESID 1 DATA SEQUENCE MSKKISGGSV VEMQGDEMTR IIWELIKEKL IFPYVELDLH SYDLGIENRD DATA SEQUENCE ATNDQVTKDA AEAIKKHNVG VKCATITPDE KRVEEFKLKQ MWKSPNGTIR DATA SEQUENCE NILGGTVFRE AIICKNIPRL VSGWVKPIII GRHAYGDQYR ATDFVVPGPG DATA SEQUENCE KVEITYTPSD GTQKVTYLVH NFEEGGGVAM GMYNQDKSIE DFAHSSFQMA DATA SEQUENCE LSKGWPLYLS TKNTILKKYD GRFKDIFQEI YDKQYKSQFE AQKIWYEHRL DATA SEQUENCE IDDMVAQAMK SEGGFIWACK NYDGDVQSDS VAQGYGSLGM MTSVLVCPDG DATA SEQUENCE KTVEAEAAHG TVTRHYRMYQ KGQETSTNPI ASIFAWTRGL AHRAKLDNNK DATA SEQUENCE ELAFFANALE EVSIETIEAG FMTKDLAACI KGLPNVQRSD YLNTFEFMDK DATA SEQUENCE LGENLKIKLA QAKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.197 176.300 -0.172 0.000 1.140 1 M CA 0.000 55.108 55.300 -0.319 0.000 0.988 1 M CB 0.000 32.056 32.600 -0.908 0.000 1.302 2 S N 1.542 117.165 115.700 -0.128 0.000 2.626 2 S HA 0.725 5.196 4.470 0.001 0.000 0.243 2 S C -0.453 174.064 174.600 -0.138 0.000 1.116 2 S CA -0.636 57.487 58.200 -0.130 0.000 1.089 2 S CB 1.270 64.376 63.200 -0.157 0.000 1.180 2 S HN 0.688 nan 8.310 nan 0.000 0.523 3 K N -1.104 119.224 120.400 -0.120 0.000 1.928 3 K HA 0.456 4.776 4.320 0.001 0.000 0.251 3 K C -0.812 175.743 176.600 -0.076 0.000 0.713 3 K CA -0.684 55.544 56.287 -0.100 0.000 0.547 3 K CB 0.333 32.782 32.500 -0.086 0.000 1.755 3 K HN 0.317 nan 8.250 nan 0.000 0.536 4 K N -0.230 120.135 120.400 -0.058 0.000 9.344 4 K HA -0.084 4.236 4.320 0.001 0.000 0.369 4 K C -0.443 176.133 176.600 -0.040 0.000 1.204 4 K CA 1.810 58.075 56.287 -0.037 0.000 1.414 4 K CB -1.566 30.925 32.500 -0.015 0.000 0.600 4 K HN 0.504 nan 8.250 nan 0.000 0.878 5 I N 2.646 123.187 120.570 -0.047 0.000 2.662 5 I HA -0.021 4.150 4.170 0.001 0.000 0.285 5 I C -0.079 176.005 176.117 -0.055 0.000 1.161 5 I CA 0.297 61.566 61.300 -0.053 0.000 1.415 5 I CB 0.668 38.615 38.000 -0.088 0.000 1.385 5 I HN 0.202 nan 8.210 nan 0.000 0.552 6 S N 5.333 121.015 115.700 -0.031 0.000 2.455 6 S HA 0.158 4.629 4.470 0.001 0.000 0.278 6 S C 1.174 175.770 174.600 -0.007 0.000 1.216 6 S CA -0.325 57.863 58.200 -0.020 0.000 1.055 6 S CB 1.246 64.440 63.200 -0.010 0.000 0.939 6 S HN 0.884 nan 8.310 nan 0.000 0.494 7 G N 2.169 110.968 108.800 -0.002 0.000 2.459 7 G HA2 0.489 4.449 3.960 0.001 0.000 0.213 7 G HA3 0.489 4.449 3.960 0.001 0.000 0.213 7 G C 0.746 175.676 174.900 0.050 0.000 1.155 7 G CA 0.311 45.428 45.100 0.028 0.000 0.811 7 G HN 1.192 nan 8.290 nan 0.000 0.534 8 G N -0.781 108.046 108.800 0.046 0.000 2.526 8 G HA2 0.016 3.976 3.960 0.001 0.000 0.250 8 G HA3 0.016 3.976 3.960 0.001 0.000 0.250 8 G C -0.297 174.650 174.900 0.077 0.000 1.289 8 G CA -0.188 44.947 45.100 0.058 0.000 0.947 8 G HN 0.792 nan 8.290 nan 0.000 0.517 9 S N -0.510 115.242 115.700 0.087 0.000 2.474 9 S HA 0.581 5.052 4.470 0.001 0.000 0.276 9 S C 0.136 174.779 174.600 0.071 0.000 1.227 9 S CA -0.221 58.025 58.200 0.077 0.000 1.050 9 S CB 1.366 64.603 63.200 0.062 0.000 0.939 9 S HN 1.245 nan 8.310 nan 0.000 0.490 10 V N 3.870 123.833 119.914 0.083 0.000 2.760 10 V HA 0.355 4.475 4.120 0.001 0.000 0.309 10 V C -0.449 175.704 176.094 0.097 0.000 1.077 10 V CA -0.836 61.520 62.300 0.092 0.000 0.910 10 V CB 2.181 34.082 31.823 0.130 0.000 1.008 10 V HN 0.625 nan 8.190 nan 0.000 0.424 11 V N 3.848 123.810 119.914 0.080 0.000 2.364 11 V HA 0.384 4.504 4.120 0.001 0.000 0.272 11 V C 0.185 176.343 176.094 0.106 0.000 1.036 11 V CA -0.251 62.130 62.300 0.136 0.000 0.880 11 V CB 1.332 33.220 31.823 0.108 0.000 0.991 11 V HN 0.947 nan 8.190 nan 0.000 0.460 12 E N 5.529 125.840 120.200 0.186 0.000 2.179 12 E HA 0.611 4.962 4.350 0.001 0.000 0.275 12 E C -1.220 175.499 176.600 0.199 0.000 0.945 12 E CA -0.803 55.703 56.400 0.178 0.000 0.792 12 E CB 1.536 31.424 29.700 0.314 0.000 1.125 12 E HN 0.644 nan 8.360 nan 0.000 0.397 13 M N 3.760 123.411 119.600 0.085 0.000 2.053 13 M HA 0.228 4.709 4.480 0.001 0.000 0.297 13 M C -0.741 175.401 176.300 -0.264 0.000 0.921 13 M CA -0.459 54.819 55.300 -0.036 0.000 0.918 13 M CB 2.006 34.543 32.600 -0.104 0.000 1.499 13 M HN 0.400 nan 8.290 nan 0.000 0.422 14 Q N 0.891 120.586 119.800 -0.176 0.000 2.394 14 Q HA 0.580 4.920 4.340 0.001 0.000 0.248 14 Q C 0.564 176.349 176.000 -0.358 0.000 0.992 14 Q CA -0.142 55.461 55.803 -0.333 0.000 0.888 14 Q CB 1.228 29.929 28.738 -0.063 0.000 1.257 14 Q HN 0.863 nan 8.270 nan 0.000 0.462 15 G N 0.622 109.177 108.800 -0.409 0.000 3.234 15 G HA2 0.338 4.298 3.960 0.001 0.000 0.159 15 G HA3 0.338 4.298 3.960 0.001 0.000 0.159 15 G C -0.966 173.817 174.900 -0.194 0.000 1.175 15 G CA -0.402 44.518 45.100 -0.299 0.000 0.900 15 G HN 0.557 nan 8.290 nan 0.000 0.621 16 D N -0.459 119.831 120.400 -0.184 0.000 2.450 16 D HA 0.383 5.024 4.640 0.001 0.000 0.238 16 D C 0.181 176.349 176.300 -0.221 0.000 1.020 16 D CA -0.256 53.639 54.000 -0.174 0.000 1.010 16 D CB 2.191 42.885 40.800 -0.176 0.000 1.342 16 D HN 0.580 nan 8.370 nan 0.000 0.530 17 E N -0.423 119.552 120.200 -0.375 0.000 3.574 17 E HA -0.358 3.993 4.350 0.001 0.000 0.379 17 E C 1.167 177.468 176.600 -0.498 0.000 1.582 17 E CA 1.231 57.099 56.400 -0.887 0.000 1.849 17 E CB -0.644 28.514 29.700 -0.904 0.000 1.717 17 E HN 0.352 nan 8.360 nan 0.000 0.433 18 M N 0.966 120.391 119.600 -0.292 0.000 2.144 18 M HA -0.151 4.330 4.480 0.001 0.000 0.260 18 M C 2.305 178.609 176.300 0.007 0.000 1.067 18 M CA 2.825 58.128 55.300 0.006 0.000 1.095 18 M CB -0.480 32.177 32.600 0.095 0.000 1.365 18 M HN 0.593 nan 8.290 nan 0.000 0.406 19 T N -2.312 112.246 114.554 0.008 0.000 2.915 19 T HA -0.131 4.219 4.350 0.001 0.000 0.269 19 T C 1.893 176.659 174.700 0.111 0.000 1.071 19 T CA 1.322 63.475 62.100 0.089 0.000 1.132 19 T CB -0.560 68.352 68.868 0.074 0.000 0.878 19 T HN 0.513 nan 8.240 nan 0.000 0.479 20 R N 0.776 121.291 120.500 0.023 0.000 2.075 20 R HA -0.038 4.303 4.340 0.001 0.000 0.232 20 R C 2.133 178.532 176.300 0.164 0.000 1.126 20 R CA 1.087 57.227 56.100 0.067 0.000 0.963 20 R CB -0.334 29.967 30.300 0.000 0.000 0.858 20 R HN 0.279 nan 8.270 nan 0.000 0.435 21 I N 1.339 121.975 120.570 0.110 0.000 2.142 21 I HA -0.283 3.888 4.170 0.001 0.000 0.240 21 I C 2.441 178.656 176.117 0.165 0.000 1.078 21 I CA 1.431 62.803 61.300 0.121 0.000 1.343 21 I CB -1.035 36.966 38.000 0.001 0.000 1.046 21 I HN 0.263 nan 8.210 nan 0.000 0.405 22 I N -0.537 120.123 120.570 0.151 0.000 2.226 22 I HA -0.337 3.833 4.170 0.001 0.000 0.245 22 I C 2.646 178.895 176.117 0.221 0.000 1.100 22 I CA 1.352 62.748 61.300 0.160 0.000 1.374 22 I CB -0.430 37.662 38.000 0.153 0.000 1.057 22 I HN 0.430 nan 8.210 nan 0.000 0.413 23 W N 2.259 123.609 121.300 0.083 0.000 2.335 23 W HA -0.232 4.429 4.660 0.001 0.000 0.311 23 W C 2.344 178.887 176.519 0.041 0.000 1.213 23 W CA 1.593 59.009 57.345 0.119 0.000 1.274 23 W CB -0.049 29.503 29.460 0.153 0.000 1.148 23 W HN 0.164 nan 8.180 nan 0.000 0.498 24 E N 0.487 120.823 120.200 0.227 0.000 2.106 24 E HA -0.171 4.179 4.350 0.001 0.000 0.192 24 E C 2.271 178.831 176.600 -0.066 0.000 0.984 24 E CA 1.135 57.572 56.400 0.063 0.000 0.806 24 E CB -0.855 28.925 29.700 0.133 0.000 0.750 24 E HN 0.429 nan 8.360 nan 0.000 0.458 25 L N 0.425 121.650 121.223 0.002 0.000 2.083 25 L HA -0.139 4.202 4.340 0.001 0.000 0.209 25 L C 2.480 179.264 176.870 -0.143 0.000 1.083 25 L CA 0.782 55.614 54.840 -0.014 0.000 0.752 25 L CB -0.369 41.744 42.059 0.091 0.000 0.899 25 L HN 0.099 nan 8.230 nan 0.000 0.433 26 I N -0.229 120.202 120.570 -0.231 0.000 2.202 26 I HA -0.287 3.883 4.170 0.001 0.000 0.242 26 I C 2.527 178.252 176.117 -0.653 0.000 1.091 26 I CA 1.395 62.452 61.300 -0.406 0.000 1.368 26 I CB -0.273 37.418 38.000 -0.515 0.000 1.058 26 I HN 0.219 nan 8.210 nan 0.000 0.410 27 K N 0.424 120.305 120.400 -0.865 0.000 2.025 27 K HA -0.223 4.097 4.320 0.001 0.000 0.207 27 K C 2.091 178.088 176.600 -1.005 0.000 1.049 27 K CA 1.496 57.023 56.287 -1.265 0.000 0.933 27 K CB -0.180 31.459 32.500 -1.435 0.000 0.714 27 K HN 0.121 nan 8.250 nan 0.000 0.438 28 E N 1.220 121.081 120.200 -0.564 0.000 2.106 28 E HA -0.135 4.216 4.350 0.001 0.000 0.192 28 E C 1.331 177.834 176.600 -0.161 0.000 0.984 28 E CA 1.516 57.763 56.400 -0.256 0.000 0.806 28 E CB 0.262 29.892 29.700 -0.116 0.000 0.750 28 E HN 0.195 nan 8.360 nan 0.000 0.458 29 K N -1.071 119.233 120.400 -0.159 0.000 2.335 29 K HA 0.206 4.526 4.320 0.001 0.000 0.195 29 K C 1.677 178.274 176.600 -0.005 0.000 1.058 29 K CA 0.326 56.571 56.287 -0.070 0.000 0.988 29 K CB 0.580 33.055 32.500 -0.042 0.000 0.880 29 K HN 0.099 nan 8.250 nan 0.000 0.513 30 L N 0.181 121.361 121.223 -0.071 0.000 2.609 30 L HA 0.166 4.507 4.340 0.001 0.000 0.230 30 L C 1.573 178.549 176.870 0.176 0.000 1.064 30 L CA 0.018 54.888 54.840 0.049 0.000 0.873 30 L CB 0.103 42.110 42.059 -0.087 0.000 1.139 30 L HN 0.039 nan 8.230 nan 0.000 0.490 31 I N -0.628 119.892 120.570 -0.084 0.000 3.098 31 I HA -0.006 4.164 4.170 0.001 0.000 0.241 31 I C 2.407 178.563 176.117 0.064 0.000 1.081 31 I CA 1.008 62.285 61.300 -0.039 0.000 1.487 31 I CB -1.208 36.538 38.000 -0.424 0.000 1.366 31 I HN 0.064 nan 8.210 nan 0.000 0.463 32 F N 1.830 121.668 119.950 -0.187 0.000 2.115 32 F HA -0.203 4.324 4.527 0.001 0.000 0.300 32 F C -0.175 175.487 175.800 -0.231 0.000 1.092 32 F CA 1.141 59.033 58.000 -0.180 0.000 1.245 32 F CB -1.888 37.017 39.000 -0.158 0.000 0.995 32 F HN 0.148 nan 8.300 nan 0.000 0.481 33 P HA -0.181 nan 4.420 nan 0.000 0.219 33 P C 0.324 177.227 177.300 -0.662 0.000 1.146 33 P CA 1.755 64.550 63.100 -0.508 0.000 0.808 33 P CB -0.194 31.009 31.700 -0.828 0.000 0.779 34 Y N -3.273 116.988 120.300 -0.066 0.000 2.426 34 Y HA 0.259 4.809 4.550 0.001 0.000 0.249 34 Y C 0.609 176.345 175.900 -0.273 0.000 1.103 34 Y CA -0.290 57.724 58.100 -0.144 0.000 1.256 34 Y CB 0.452 38.848 38.460 -0.105 0.000 1.208 34 Y HN -0.354 nan 8.280 nan 0.000 0.519 35 V N 1.309 121.126 119.914 -0.161 0.000 2.588 35 V HA 0.248 4.369 4.120 0.001 0.000 0.304 35 V C -0.581 175.454 176.094 -0.098 0.000 1.042 35 V CA -1.342 60.841 62.300 -0.196 0.000 0.877 35 V CB 2.238 33.861 31.823 -0.335 0.000 0.996 35 V HN 0.138 nan 8.190 nan 0.000 0.425 36 E N 5.022 125.166 120.200 -0.094 0.000 2.109 36 E HA 0.625 4.975 4.350 0.001 0.000 0.278 36 E C -1.536 175.029 176.600 -0.059 0.000 0.954 36 E CA -0.452 55.888 56.400 -0.100 0.000 0.779 36 E CB 1.109 30.753 29.700 -0.094 0.000 1.093 36 E HN 0.618 nan 8.360 nan 0.000 0.401 37 L N 3.069 124.261 121.223 -0.052 0.000 2.322 37 L HA 0.342 4.682 4.340 0.001 0.000 0.269 37 L C -0.170 176.693 176.870 -0.011 0.000 1.012 37 L CA -1.021 53.827 54.840 0.013 0.000 0.815 37 L CB 1.623 43.748 42.059 0.110 0.000 1.295 37 L HN 0.529 nan 8.230 nan 0.000 0.438 38 D N 2.059 122.474 120.400 0.025 0.000 2.524 38 D HA 0.272 4.913 4.640 0.001 0.000 0.222 38 D C -0.658 175.662 176.300 0.033 0.000 1.142 38 D CA -0.111 53.891 54.000 0.003 0.000 0.973 38 D CB 0.093 40.933 40.800 0.066 0.000 1.025 38 D HN 0.252 nan 8.370 nan 0.000 0.519 39 L N 3.195 124.411 121.223 -0.011 0.000 2.319 39 L HA 0.221 4.561 4.340 0.001 0.000 0.280 39 L C -0.120 176.702 176.870 -0.081 0.000 1.099 39 L CA -0.330 54.541 54.840 0.053 0.000 0.828 39 L CB 0.517 42.648 42.059 0.119 0.000 1.150 39 L HN 0.359 nan 8.230 nan 0.000 0.442 40 H N 1.537 120.597 119.070 -0.017 0.000 2.691 40 H HA 0.295 4.851 4.556 0.001 0.000 0.281 40 H C -0.386 174.975 175.328 0.056 0.000 1.121 40 H CA -0.207 55.827 56.048 -0.022 0.000 1.254 40 H CB 0.945 30.692 29.762 -0.026 0.000 1.390 40 H HN 0.443 nan 8.280 nan 0.000 0.491 41 S N 2.595 118.285 115.700 -0.018 0.000 2.578 41 S HA 0.443 4.914 4.470 0.001 0.000 0.283 41 S C -0.879 173.544 174.600 -0.295 0.000 1.195 41 S CA -0.576 57.632 58.200 0.013 0.000 1.050 41 S CB 0.629 63.866 63.200 0.062 0.000 1.012 41 S HN 0.423 nan 8.310 nan 0.000 0.511 42 Y N 0.445 120.779 120.300 0.057 0.000 2.386 42 Y HA 0.285 4.836 4.550 0.001 0.000 0.334 42 Y C -0.305 175.590 175.900 -0.008 0.000 1.002 42 Y CA -1.118 56.993 58.100 0.018 0.000 1.068 42 Y CB 1.222 39.683 38.460 0.002 0.000 1.203 42 Y HN 0.496 nan 8.280 nan 0.000 0.443 43 D N 4.151 124.595 120.400 0.074 0.000 2.393 43 D HA 0.206 4.846 4.640 0.001 0.000 0.232 43 D C 0.120 176.407 176.300 -0.021 0.000 1.192 43 D CA 0.171 54.181 54.000 0.018 0.000 0.882 43 D CB 0.819 41.621 40.800 0.002 0.000 1.038 43 D HN 0.669 nan 8.370 nan 0.000 0.499 44 L N 3.072 124.257 121.223 -0.063 0.000 2.688 44 L HA 0.265 4.605 4.340 0.001 0.000 0.234 44 L C 1.442 178.227 176.870 -0.140 0.000 1.192 44 L CA -0.491 54.285 54.840 -0.108 0.000 0.984 44 L CB 0.003 41.986 42.059 -0.127 0.000 1.232 44 L HN 0.301 nan 8.230 nan 0.000 0.465 45 G N 0.022 108.748 108.800 -0.123 0.000 2.491 45 G HA2 0.073 4.034 3.960 0.001 0.000 0.238 45 G HA3 0.073 4.034 3.960 0.001 0.000 0.238 45 G C 0.900 175.700 174.900 -0.167 0.000 1.277 45 G CA -0.394 44.625 45.100 -0.135 0.000 0.851 45 G HN 0.114 nan 8.290 nan 0.000 0.573 46 I N 0.729 121.160 120.570 -0.231 0.000 2.315 46 I HA -0.154 4.016 4.170 0.001 0.000 0.251 46 I C 2.348 178.327 176.117 -0.230 0.000 1.125 46 I CA 1.685 62.807 61.300 -0.296 0.000 1.392 46 I CB -0.096 37.562 38.000 -0.570 0.000 1.065 46 I HN 0.669 nan 8.210 nan 0.000 0.424 47 E N -0.114 119.988 120.200 -0.164 0.000 2.072 47 E HA -0.194 4.156 4.350 0.001 0.000 0.190 47 E C 2.005 178.571 176.600 -0.056 0.000 0.982 47 E CA 1.297 57.665 56.400 -0.053 0.000 0.803 47 E CB -0.374 29.341 29.700 0.024 0.000 0.755 47 E HN 0.503 nan 8.360 nan 0.000 0.453 48 N N 0.299 118.953 118.700 -0.078 0.000 2.331 48 N HA -0.051 4.689 4.740 0.001 0.000 0.180 48 N C 1.470 176.892 175.510 -0.146 0.000 1.019 48 N CA 0.755 53.757 53.050 -0.080 0.000 0.881 48 N CB 0.197 38.650 38.487 -0.058 0.000 0.972 48 N HN -0.018 nan 8.380 nan 0.000 0.435 49 R N -0.305 120.064 120.500 -0.218 0.000 2.075 49 R HA -0.075 4.265 4.340 0.001 0.000 0.232 49 R C 1.410 177.368 176.300 -0.570 0.000 1.126 49 R CA 1.483 57.355 56.100 -0.380 0.000 0.963 49 R CB -0.287 29.769 30.300 -0.407 0.000 0.858 49 R HN 0.321 nan 8.270 nan 0.000 0.435 50 D N 0.300 120.476 120.400 -0.373 0.000 2.117 50 D HA -0.113 4.527 4.640 0.001 0.000 0.197 50 D C 1.770 178.033 176.300 -0.062 0.000 0.987 50 D CA 1.453 55.374 54.000 -0.133 0.000 0.829 50 D CB 0.033 40.948 40.800 0.191 0.000 0.961 50 D HN 0.223 nan 8.370 nan 0.000 0.460 51 A N -0.471 122.313 122.820 -0.060 0.000 1.908 51 A HA -0.136 4.184 4.320 0.001 0.000 0.218 51 A C 2.239 179.791 177.584 -0.052 0.000 1.181 51 A CA 2.390 54.414 52.037 -0.021 0.000 0.627 51 A CB -1.087 17.904 19.000 -0.014 0.000 0.818 51 A HN 0.442 nan 8.150 nan 0.000 0.445 52 T N -3.738 110.741 114.554 -0.126 0.000 3.144 52 T HA 0.129 4.480 4.350 0.001 0.000 0.249 52 T C 0.372 174.961 174.700 -0.185 0.000 1.089 52 T CA 0.282 62.311 62.100 -0.120 0.000 0.989 52 T CB -0.442 68.361 68.868 -0.109 0.000 0.992 52 T HN 0.463 nan 8.240 nan 0.000 0.540 53 N N 2.101 120.627 118.700 -0.290 0.000 2.740 53 N HA -0.201 4.539 4.740 0.001 0.000 0.248 53 N C 0.087 175.207 175.510 -0.650 0.000 1.062 53 N CA 1.239 54.041 53.050 -0.413 0.000 0.704 53 N CB -1.610 36.879 38.487 0.003 0.000 0.968 53 N HN 0.684 nan 8.380 nan 0.000 0.547 54 D N -1.426 118.478 120.400 -0.827 0.000 3.079 54 D HA -0.236 4.404 4.640 0.001 0.000 0.214 54 D C 1.128 177.272 176.300 -0.259 0.000 1.145 54 D CA 1.864 55.519 54.000 -0.575 0.000 0.958 54 D CB -0.619 39.850 40.800 -0.551 0.000 1.117 54 D HN 0.597 nan 8.370 nan 0.000 0.416 55 Q N 0.056 119.742 119.800 -0.190 0.000 2.167 55 Q HA 0.018 4.359 4.340 0.001 0.000 0.202 55 Q C 2.071 178.035 176.000 -0.060 0.000 0.970 55 Q CA 1.844 57.594 55.803 -0.088 0.000 0.855 55 Q CB -0.340 28.367 28.738 -0.051 0.000 0.911 55 Q HN 0.427 nan 8.270 nan 0.000 0.438 56 V N -0.098 119.777 119.914 -0.065 0.000 2.469 56 V HA -0.265 3.855 4.120 0.001 0.000 0.251 56 V C 1.669 177.746 176.094 -0.028 0.000 1.064 56 V CA 2.494 64.801 62.300 0.012 0.000 1.066 56 V CB -0.591 31.237 31.823 0.008 0.000 0.667 56 V HN 0.554 nan 8.190 nan 0.000 0.461 57 T N -0.324 114.174 114.554 -0.093 0.000 2.777 57 T HA -0.173 4.178 4.350 0.001 0.000 0.266 57 T C 1.873 176.504 174.700 -0.115 0.000 1.040 57 T CA 1.786 63.820 62.100 -0.110 0.000 1.141 57 T CB -0.195 68.605 68.868 -0.114 0.000 0.868 57 T HN 0.506 nan 8.240 nan 0.000 0.444 58 K N 0.693 121.039 120.400 -0.089 0.000 2.155 58 K HA -0.065 4.256 4.320 0.001 0.000 0.203 58 K C 1.995 178.533 176.600 -0.104 0.000 1.052 58 K CA 1.105 57.346 56.287 -0.077 0.000 0.948 58 K CB -0.041 32.434 32.500 -0.042 0.000 0.728 58 K HN 0.242 nan 8.250 nan 0.000 0.448 59 D N 0.816 121.157 120.400 -0.099 0.000 2.144 59 D HA -0.126 4.514 4.640 0.001 0.000 0.199 59 D C 1.803 177.846 176.300 -0.428 0.000 0.984 59 D CA 1.131 55.063 54.000 -0.113 0.000 0.834 59 D CB -0.071 40.783 40.800 0.091 0.000 0.955 59 D HN 0.184 nan 8.370 nan 0.000 0.465 60 A N 1.236 123.688 122.820 -0.613 0.000 1.873 60 A HA -0.012 4.308 4.320 0.001 0.000 0.215 60 A C 2.353 179.682 177.584 -0.424 0.000 1.186 60 A CA 2.089 53.600 52.037 -0.877 0.000 0.616 60 A CB -0.735 17.944 19.000 -0.536 0.000 0.823 60 A HN 0.223 nan 8.150 nan 0.000 0.442 61 A N -0.427 122.241 122.820 -0.253 0.000 1.883 61 A HA -0.201 4.119 4.320 0.001 0.000 0.217 61 A C 1.960 179.465 177.584 -0.130 0.000 1.186 61 A CA 2.219 54.164 52.037 -0.152 0.000 0.624 61 A CB -0.538 18.402 19.000 -0.101 0.000 0.822 61 A HN 0.475 nan 8.150 nan 0.000 0.444 62 E N -0.247 119.874 120.200 -0.132 0.000 2.153 62 E HA -0.014 4.337 4.350 0.001 0.000 0.194 62 E C 2.103 178.643 176.600 -0.099 0.000 0.988 62 E CA 1.224 57.567 56.400 -0.094 0.000 0.811 62 E CB -0.413 29.246 29.700 -0.068 0.000 0.746 62 E HN 0.533 nan 8.360 nan 0.000 0.466 63 A N 0.242 122.980 122.820 -0.137 0.000 1.969 63 A HA -0.132 4.188 4.320 0.001 0.000 0.218 63 A C 2.197 179.788 177.584 0.012 0.000 1.169 63 A CA 1.148 53.164 52.037 -0.035 0.000 0.635 63 A CB -0.567 18.393 19.000 -0.067 0.000 0.810 63 A HN 0.286 nan 8.150 nan 0.000 0.445 64 I N -0.632 119.908 120.570 -0.051 0.000 2.315 64 I HA -0.249 3.921 4.170 0.001 0.000 0.248 64 I C 2.379 178.480 176.117 -0.027 0.000 1.117 64 I CA 1.353 62.642 61.300 -0.018 0.000 1.404 64 I CB -0.298 37.673 38.000 -0.049 0.000 1.071 64 I HN 0.295 nan 8.210 nan 0.000 0.419 65 K N 0.875 121.241 120.400 -0.057 0.000 2.097 65 K HA -0.225 4.096 4.320 0.001 0.000 0.206 65 K C 2.195 178.741 176.600 -0.089 0.000 1.049 65 K CA 1.334 57.586 56.287 -0.058 0.000 0.933 65 K CB -0.109 32.356 32.500 -0.059 0.000 0.717 65 K HN 0.228 nan 8.250 nan 0.000 0.442 66 K N 0.203 120.505 120.400 -0.162 0.000 2.031 66 K HA -0.111 4.210 4.320 0.001 0.000 0.205 66 K C 1.721 178.092 176.600 -0.381 0.000 1.049 66 K CA 1.144 57.246 56.287 -0.309 0.000 0.939 66 K CB 0.130 32.346 32.500 -0.472 0.000 0.717 66 K HN 0.252 nan 8.250 nan 0.000 0.438 67 H N 0.124 119.155 119.070 -0.065 0.000 2.563 67 H HA 0.139 4.696 4.556 0.001 0.000 0.264 67 H C 0.340 175.668 175.328 -0.000 0.000 0.957 67 H CA 0.490 56.505 56.048 -0.054 0.000 1.173 67 H CB 0.503 30.205 29.762 -0.100 0.000 1.420 67 H HN 0.352 nan 8.280 nan 0.000 0.551 68 N N -0.139 118.610 118.700 0.082 0.000 2.936 68 N HA -0.177 4.563 4.740 0.001 0.000 0.236 68 N C -0.018 175.573 175.510 0.135 0.000 0.930 68 N CA 1.015 54.124 53.050 0.099 0.000 0.966 68 N CB -1.075 37.484 38.487 0.119 0.000 1.090 68 N HN 0.280 nan 8.380 nan 0.000 0.592 69 V N -0.504 119.487 119.914 0.128 0.000 2.777 69 V HA 0.828 4.948 4.120 0.001 0.000 0.306 69 V C -0.348 175.779 176.094 0.056 0.000 1.112 69 V CA 0.205 62.571 62.300 0.110 0.000 0.917 69 V CB 1.598 33.524 31.823 0.172 0.000 1.018 69 V HN 0.285 nan 8.190 nan 0.000 0.426 70 G N 4.318 113.122 108.800 0.007 0.000 2.612 70 G HA2 0.730 4.691 3.960 0.001 0.000 0.298 70 G HA3 0.730 4.691 3.960 0.001 0.000 0.298 70 G C -1.182 173.676 174.900 -0.071 0.000 1.336 70 G CA -0.183 44.901 45.100 -0.026 0.000 0.953 70 G HN 1.688 nan 8.290 nan 0.000 0.482 71 V N -1.271 118.571 119.914 -0.120 0.000 2.525 71 V HA 0.824 4.945 4.120 0.001 0.000 0.299 71 V C -0.620 175.429 176.094 -0.076 0.000 1.034 71 V CA -1.195 60.999 62.300 -0.176 0.000 0.863 71 V CB 1.419 32.917 31.823 -0.541 0.000 0.999 71 V HN 0.841 nan 8.190 nan 0.000 0.423 72 K N 3.660 124.019 120.400 -0.068 0.000 2.316 72 K HA 0.699 5.020 4.320 0.001 0.000 0.251 72 K C -0.880 175.465 176.600 -0.425 0.000 0.934 72 K CA -0.483 55.667 56.287 -0.229 0.000 0.802 72 K CB 2.061 34.448 32.500 -0.190 0.000 1.171 72 K HN 1.006 nan 8.250 nan 0.000 0.426 73 C N 3.358 122.108 119.300 -0.917 0.000 2.405 73 C HA 0.671 5.131 4.460 0.001 0.000 0.365 73 C C 0.615 175.334 174.990 -0.451 0.000 1.233 73 C CA -0.462 57.988 59.018 -0.947 0.000 2.230 73 C CB -0.188 26.642 27.740 -1.517 0.000 2.443 73 C HN 0.912 nan 8.230 nan 0.000 0.556 74 A N 4.519 127.164 122.820 -0.292 0.000 2.561 74 A HA 0.494 4.814 4.320 0.001 0.000 0.234 74 A C 0.604 178.068 177.584 -0.200 0.000 1.055 74 A CA 0.888 52.795 52.037 -0.216 0.000 0.756 74 A CB -0.085 18.816 19.000 -0.164 0.000 0.986 74 A HN 1.265 nan 8.150 nan 0.000 0.505 75 T N -0.283 114.174 114.554 -0.162 0.000 2.906 75 T HA 0.675 5.025 4.350 0.001 0.000 0.295 75 T C -0.235 174.402 174.700 -0.104 0.000 1.075 75 T CA -0.667 61.344 62.100 -0.148 0.000 1.005 75 T CB 0.887 69.664 68.868 -0.152 0.000 1.136 75 T HN 0.435 nan 8.240 nan 0.000 0.498 76 I N 1.666 122.171 120.570 -0.108 0.000 2.474 76 I HA 0.297 4.467 4.170 0.001 0.000 0.287 76 I C 0.203 176.293 176.117 -0.044 0.000 1.048 76 I CA -0.375 60.882 61.300 -0.072 0.000 1.383 76 I CB 1.326 39.265 38.000 -0.103 0.000 1.412 76 I HN 0.688 nan 8.210 nan 0.000 0.531 77 T N 7.197 121.747 114.554 -0.006 0.000 2.788 77 T HA 0.334 4.684 4.350 0.001 0.000 0.296 77 T C -2.327 172.396 174.700 0.038 0.000 1.009 77 T CA -1.227 60.886 62.100 0.021 0.000 0.949 77 T CB 0.996 69.877 68.868 0.023 0.000 0.946 77 T HN 0.294 nan 8.240 nan 0.000 0.453 78 P HA 0.221 nan 4.420 nan 0.000 0.268 78 P C -0.522 176.799 177.300 0.036 0.000 1.204 78 P CA -0.268 62.869 63.100 0.063 0.000 0.768 78 P CB 0.577 32.328 31.700 0.084 0.000 0.842 79 D N 0.835 121.259 120.400 0.040 0.000 2.687 79 D HA 0.170 4.810 4.640 0.001 0.000 0.264 79 D C 0.703 177.016 176.300 0.021 0.000 1.091 79 D CA -0.620 53.391 54.000 0.018 0.000 1.123 79 D CB 0.416 41.228 40.800 0.020 0.000 1.407 79 D HN 0.060 nan 8.370 nan 0.000 0.591 80 E N 0.001 120.205 120.200 0.008 0.000 2.070 80 E HA -0.217 4.134 4.350 0.001 0.000 0.197 80 E C 1.757 178.373 176.600 0.028 0.000 1.004 80 E CA 1.783 58.188 56.400 0.007 0.000 0.805 80 E CB -0.140 29.560 29.700 -0.001 0.000 0.744 80 E HN 0.529 nan 8.360 nan 0.000 0.451 81 K N 0.223 120.645 120.400 0.036 0.000 2.097 81 K HA -0.146 4.175 4.320 0.001 0.000 0.206 81 K C 1.929 178.577 176.600 0.081 0.000 1.049 81 K CA 0.951 57.266 56.287 0.046 0.000 0.933 81 K CB 0.171 32.697 32.500 0.043 0.000 0.717 81 K HN -0.062 nan 8.250 nan 0.000 0.442 82 R N 0.212 120.784 120.500 0.119 0.000 2.090 82 R HA -0.034 4.307 4.340 0.001 0.000 0.228 82 R C 2.265 178.718 176.300 0.255 0.000 1.110 82 R CA 0.715 56.954 56.100 0.231 0.000 0.973 82 R CB -0.713 29.719 30.300 0.219 0.000 0.869 82 R HN 0.104 nan 8.270 nan 0.000 0.440 83 V N 1.428 121.423 119.914 0.135 0.000 2.407 83 V HA -0.227 3.893 4.120 0.001 0.000 0.248 83 V C 2.429 178.586 176.094 0.104 0.000 1.055 83 V CA 2.008 64.368 62.300 0.101 0.000 1.049 83 V CB -0.423 31.408 31.823 0.014 0.000 0.662 83 V HN 0.401 nan 8.190 nan 0.000 0.455 84 E N -0.193 120.050 120.200 0.071 0.000 2.152 84 E HA -0.238 4.112 4.350 0.001 0.000 0.192 84 E C 2.232 178.844 176.600 0.020 0.000 0.983 84 E CA 1.147 57.571 56.400 0.040 0.000 0.818 84 E CB -0.031 29.681 29.700 0.020 0.000 0.758 84 E HN 0.714 nan 8.360 nan 0.000 0.467 85 E N -0.627 119.582 120.200 0.015 0.000 2.047 85 E HA -0.150 4.201 4.350 0.001 0.000 0.191 85 E C 0.949 177.377 176.600 -0.287 0.000 0.987 85 E CA 1.031 57.333 56.400 -0.163 0.000 0.799 85 E CB 0.021 29.577 29.700 -0.240 0.000 0.752 85 E HN 0.313 nan 8.360 nan 0.000 0.449 86 F N 0.263 120.250 119.950 0.061 0.000 2.678 86 F HA 0.262 4.790 4.527 0.001 0.000 0.305 86 F C 0.038 175.879 175.800 0.068 0.000 1.090 86 F CA -0.313 57.729 58.000 0.070 0.000 1.272 86 F CB 0.748 39.799 39.000 0.085 0.000 1.060 86 F HN -0.243 nan 8.300 nan 0.000 0.576 87 K N 1.523 122.034 120.400 0.185 0.000 3.419 87 K HA -0.176 4.144 4.320 0.001 0.000 0.272 87 K C -0.464 176.227 176.600 0.151 0.000 0.973 87 K CA 0.340 56.704 56.287 0.128 0.000 0.749 87 K CB -2.044 30.514 32.500 0.097 0.000 1.403 87 K HN 0.389 nan 8.250 nan 0.000 0.456 88 L N 0.461 121.781 121.223 0.161 0.000 2.436 88 L HA 0.116 4.457 4.340 0.001 0.000 0.265 88 L C 1.992 178.895 176.870 0.055 0.000 1.168 88 L CA -0.253 54.682 54.840 0.159 0.000 0.815 88 L CB 0.397 42.545 42.059 0.149 0.000 1.109 88 L HN 0.150 nan 8.230 nan 0.000 0.462 89 K N 0.545 120.994 120.400 0.082 0.000 2.103 89 K HA -0.011 4.310 4.320 0.001 0.000 0.204 89 K C 0.064 176.501 176.600 -0.271 0.000 1.052 89 K CA 1.047 57.324 56.287 -0.015 0.000 0.945 89 K CB 0.113 32.697 32.500 0.140 0.000 0.722 89 K HN 0.559 nan 8.250 nan 0.000 0.443 90 Q N -0.787 118.608 119.800 -0.675 0.000 2.615 90 Q HA 0.341 4.681 4.340 0.001 0.000 0.298 90 Q C -1.088 174.368 176.000 -0.907 0.000 1.023 90 Q CA -0.645 54.636 55.803 -0.870 0.000 0.768 90 Q CB 1.840 29.834 28.738 -1.239 0.000 1.500 90 Q HN -0.024 nan 8.270 nan 0.000 0.441 91 M N 1.977 121.247 119.600 -0.551 0.000 3.213 91 M HA 0.201 4.681 4.480 0.001 0.000 0.275 91 M C -1.345 174.803 176.300 -0.253 0.000 1.424 91 M CA -0.105 55.011 55.300 -0.307 0.000 1.561 91 M CB 0.062 32.568 32.600 -0.157 0.000 1.109 91 M HN 0.436 nan 8.290 nan 0.000 0.552 92 W N 3.308 124.602 121.300 -0.010 0.000 2.274 92 W HA -0.005 4.656 4.660 0.001 0.000 0.345 92 W C 0.574 177.081 176.519 -0.020 0.000 1.265 92 W CA -0.331 57.003 57.345 -0.018 0.000 1.293 92 W CB 0.192 29.634 29.460 -0.031 0.000 1.175 92 W HN 0.352 nan 8.180 nan 0.000 0.577 93 K N 1.506 122.060 120.400 0.256 0.000 2.126 93 K HA 0.183 4.504 4.320 0.001 0.000 0.257 93 K C 0.391 177.052 176.600 0.102 0.000 1.007 93 K CA -0.734 55.631 56.287 0.130 0.000 0.928 93 K CB 0.967 33.528 32.500 0.102 0.000 1.013 93 K HN 0.394 nan 8.250 nan 0.000 0.473 94 S N 2.517 118.255 115.700 0.062 0.000 2.575 94 S HA 0.018 4.489 4.470 0.001 0.000 0.295 94 S C -1.323 173.286 174.600 0.015 0.000 1.267 94 S CA -1.216 57.006 58.200 0.038 0.000 1.074 94 S CB 0.346 63.576 63.200 0.050 0.000 0.829 94 S HN 0.398 nan 8.310 nan 0.000 0.497 95 P HA -0.060 nan 4.420 nan 0.000 0.223 95 P C 0.781 178.048 177.300 -0.054 0.000 1.151 95 P CA 0.786 63.859 63.100 -0.047 0.000 0.787 95 P CB 0.048 31.700 31.700 -0.080 0.000 0.788 96 N N 0.439 119.108 118.700 -0.052 0.000 2.171 96 N HA -0.080 4.661 4.740 0.001 0.000 0.184 96 N C 2.172 177.651 175.510 -0.051 0.000 1.021 96 N CA 1.607 54.617 53.050 -0.066 0.000 0.854 96 N CB -1.048 37.393 38.487 -0.077 0.000 0.994 96 N HN 0.196 nan 8.380 nan 0.000 0.426 97 G N 0.509 109.302 108.800 -0.012 0.000 2.418 97 G HA2 -0.210 3.751 3.960 0.001 0.000 0.217 97 G HA3 -0.210 3.751 3.960 0.001 0.000 0.217 97 G C 1.610 176.506 174.900 -0.005 0.000 1.158 97 G CA 1.301 46.406 45.100 0.008 0.000 0.771 97 G HN 0.249 nan 8.290 nan 0.000 0.545 98 T N 1.353 115.905 114.554 -0.004 0.000 2.708 98 T HA -0.057 4.294 4.350 0.001 0.000 0.266 98 T C 2.396 177.087 174.700 -0.016 0.000 1.037 98 T CA 1.069 63.167 62.100 -0.004 0.000 1.146 98 T CB -0.166 68.696 68.868 -0.011 0.000 0.865 98 T HN 0.243 nan 8.240 nan 0.000 0.435 99 I N 0.640 121.186 120.570 -0.039 0.000 2.142 99 I HA -0.186 3.984 4.170 0.001 0.000 0.240 99 I C 2.806 178.904 176.117 -0.033 0.000 1.078 99 I CA 1.415 62.685 61.300 -0.050 0.000 1.343 99 I CB -0.325 37.630 38.000 -0.074 0.000 1.046 99 I HN 0.121 nan 8.210 nan 0.000 0.405 100 R N 0.541 121.018 120.500 -0.038 0.000 2.096 100 R HA -0.176 4.164 4.340 0.001 0.000 0.235 100 R C 2.216 178.540 176.300 0.041 0.000 1.127 100 R CA 1.526 57.609 56.100 -0.028 0.000 0.968 100 R CB -0.580 29.674 30.300 -0.077 0.000 0.861 100 R HN 0.450 nan 8.270 nan 0.000 0.440 101 N N 1.189 119.921 118.700 0.052 0.000 2.223 101 N HA -0.138 4.602 4.740 0.001 0.000 0.185 101 N C 1.614 177.227 175.510 0.171 0.000 1.016 101 N CA 1.165 54.304 53.050 0.149 0.000 0.863 101 N CB 0.133 38.656 38.487 0.060 0.000 0.983 101 N HN 0.237 nan 8.380 nan 0.000 0.429 102 I N 0.059 120.676 120.570 0.077 0.000 2.480 102 I HA -0.173 3.997 4.170 0.001 0.000 0.251 102 I C 1.690 177.825 176.117 0.029 0.000 1.124 102 I CA 0.396 61.726 61.300 0.050 0.000 1.444 102 I CB 0.072 38.079 38.000 0.011 0.000 1.098 102 I HN 0.079 nan 8.210 nan 0.000 0.428 103 L N 0.265 121.496 121.223 0.014 0.000 2.127 103 L HA 0.266 4.606 4.340 0.001 0.000 0.203 103 L C 1.228 178.099 176.870 0.001 0.000 1.080 103 L CA 1.175 56.012 54.840 -0.004 0.000 0.768 103 L CB -1.298 40.748 42.059 -0.021 0.000 0.924 103 L HN 0.353 nan 8.230 nan 0.000 0.444 104 G N -1.564 107.249 108.800 0.022 0.000 2.860 104 G HA2 0.313 4.273 3.960 0.001 0.000 0.553 104 G HA3 0.313 4.273 3.960 0.001 0.000 0.553 104 G C 0.273 175.179 174.900 0.010 0.000 1.439 104 G CA -0.270 44.838 45.100 0.014 0.000 0.879 104 G HN 1.065 nan 8.290 nan 0.000 0.545 105 G N -2.056 106.764 108.800 0.033 0.000 2.306 105 G HA2 0.563 4.523 3.960 0.001 0.000 0.262 105 G HA3 0.563 4.523 3.960 0.001 0.000 0.262 105 G C -0.365 174.558 174.900 0.039 0.000 1.263 105 G CA 0.472 45.600 45.100 0.046 0.000 1.088 105 G HN 2.181 nan 8.290 nan 0.000 0.489 106 T N -0.040 114.502 114.554 -0.020 0.000 2.886 106 T HA 0.587 4.937 4.350 0.001 0.000 0.292 106 T C -0.367 174.153 174.700 -0.299 0.000 1.012 106 T CA -0.320 61.672 62.100 -0.181 0.000 0.982 106 T CB 2.012 70.722 68.868 -0.263 0.000 1.018 106 T HN 1.043 nan 8.240 nan 0.000 0.451 107 V N 3.965 123.675 119.914 -0.340 0.000 2.318 107 V HA 0.400 4.520 4.120 0.001 0.000 0.271 107 V C -0.715 175.193 176.094 -0.310 0.000 1.030 107 V CA -0.691 61.460 62.300 -0.248 0.000 0.844 107 V CB -0.257 31.451 31.823 -0.192 0.000 1.015 107 V HN 0.749 nan 8.190 nan 0.000 0.460 108 F N 5.319 125.263 119.950 -0.010 0.000 2.404 108 F HA 0.544 5.072 4.527 0.001 0.000 0.358 108 F C 0.955 176.743 175.800 -0.021 0.000 1.120 108 F CA -0.352 57.646 58.000 -0.003 0.000 1.144 108 F CB 0.755 39.759 39.000 0.007 0.000 1.133 108 F HN 0.323 nan 8.300 nan 0.000 0.495 109 R N 3.103 123.675 120.500 0.121 0.000 2.562 109 R HA 0.568 4.909 4.340 0.001 0.000 0.298 109 R C -0.877 175.449 176.300 0.044 0.000 0.961 109 R CA -0.794 55.334 56.100 0.047 0.000 0.881 109 R CB 2.602 32.887 30.300 -0.025 0.000 1.159 109 R HN 0.680 nan 8.270 nan 0.000 0.450 110 E N 1.167 121.374 120.200 0.012 0.000 2.372 110 E HA 0.486 4.836 4.350 0.001 0.000 0.279 110 E C -1.368 175.175 176.600 -0.096 0.000 0.946 110 E CA -0.654 55.723 56.400 -0.039 0.000 0.769 110 E CB 2.369 32.061 29.700 -0.013 0.000 1.230 110 E HN 0.692 nan 8.360 nan 0.000 0.442 111 A N 3.430 126.122 122.820 -0.213 0.000 2.386 111 A HA 0.448 4.768 4.320 0.001 0.000 0.248 111 A C -0.162 177.284 177.584 -0.231 0.000 1.082 111 A CA -0.175 51.708 52.037 -0.256 0.000 0.789 111 A CB 0.215 18.902 19.000 -0.521 0.000 1.025 111 A HN 0.553 nan 8.150 nan 0.000 0.490 112 I N 2.862 123.310 120.570 -0.203 0.000 2.307 112 I HA 0.208 4.379 4.170 0.001 0.000 0.289 112 I C -0.634 175.393 176.117 -0.149 0.000 1.021 112 I CA -0.344 60.827 61.300 -0.214 0.000 1.224 112 I CB 0.856 38.615 38.000 -0.401 0.000 1.376 112 I HN 0.371 nan 8.210 nan 0.000 0.470 113 I N 5.599 126.108 120.570 -0.102 0.000 2.385 113 I HA 0.308 4.479 4.170 0.001 0.000 0.294 113 I C -0.118 176.000 176.117 0.002 0.000 0.988 113 I CA -0.459 60.817 61.300 -0.040 0.000 1.265 113 I CB 1.410 39.391 38.000 -0.030 0.000 1.388 113 I HN 0.533 nan 8.210 nan 0.000 0.480 114 C N 5.572 124.887 119.300 0.024 0.000 2.408 114 C HA 0.299 4.759 4.460 0.001 0.000 0.321 114 C C 1.715 176.733 174.990 0.047 0.000 1.245 114 C CA -0.859 58.182 59.018 0.038 0.000 1.523 114 C CB 1.769 29.532 27.740 0.040 0.000 2.178 114 C HN 0.805 nan 8.230 nan 0.000 0.488 115 K N 1.864 122.292 120.400 0.048 0.000 2.211 115 K HA -0.146 4.174 4.320 0.001 0.000 0.204 115 K C 1.395 178.019 176.600 0.041 0.000 1.047 115 K CA 1.488 57.803 56.287 0.046 0.000 0.935 115 K CB 0.019 32.545 32.500 0.043 0.000 0.728 115 K HN 0.755 nan 8.250 nan 0.000 0.452 116 N N 0.663 119.386 118.700 0.038 0.000 2.322 116 N HA -0.033 4.708 4.740 0.001 0.000 0.194 116 N C -0.184 175.341 175.510 0.024 0.000 1.126 116 N CA 0.248 53.316 53.050 0.029 0.000 0.845 116 N CB 0.332 38.836 38.487 0.027 0.000 0.976 116 N HN 0.000 nan 8.380 nan 0.000 0.475 117 I N 2.256 122.845 120.570 0.031 0.000 2.328 117 I HA 0.399 4.569 4.170 0.001 0.000 0.287 117 I C -2.292 173.843 176.117 0.031 0.000 1.012 117 I CA -2.470 58.845 61.300 0.026 0.000 1.195 117 I CB 0.846 38.863 38.000 0.028 0.000 1.350 117 I HN -0.240 nan 8.210 nan 0.000 0.464 118 P HA 0.305 nan 4.420 nan 0.000 0.271 118 P C -0.170 177.127 177.300 -0.004 0.000 1.216 118 P CA -0.285 62.815 63.100 0.001 0.000 0.776 118 P CB 0.730 32.421 31.700 -0.016 0.000 0.881 119 R N 1.379 121.866 120.500 -0.023 0.000 2.553 119 R HA 0.385 4.726 4.340 0.001 0.000 0.263 119 R C 1.174 177.396 176.300 -0.130 0.000 1.066 119 R CA -0.762 55.300 56.100 -0.064 0.000 1.135 119 R CB 0.489 30.722 30.300 -0.112 0.000 1.148 119 R HN 0.424 nan 8.270 nan 0.000 0.558 120 L N 0.570 121.684 121.223 -0.183 0.000 2.307 120 L HA 0.115 4.455 4.340 0.001 0.000 0.211 120 L C 0.208 176.889 176.870 -0.315 0.000 1.099 120 L CA 0.443 55.163 54.840 -0.200 0.000 0.816 120 L CB 0.426 42.385 42.059 -0.167 0.000 0.952 120 L HN 0.245 nan 8.230 nan 0.000 0.455 121 V N 0.335 119.936 119.914 -0.521 0.000 2.350 121 V HA 0.066 4.187 4.120 0.001 0.000 0.276 121 V C 1.281 177.024 176.094 -0.586 0.000 1.028 121 V CA 0.119 61.963 62.300 -0.761 0.000 0.860 121 V CB 1.391 32.204 31.823 -1.684 0.000 0.990 121 V HN 0.315 nan 8.190 nan 0.000 0.453 122 S N 4.030 119.501 115.700 -0.381 0.000 2.382 122 S HA -0.112 4.358 4.470 0.001 0.000 0.228 122 S C 1.828 176.327 174.600 -0.169 0.000 1.027 122 S CA 1.347 59.411 58.200 -0.227 0.000 0.991 122 S CB -0.378 62.730 63.200 -0.153 0.000 0.823 122 S HN 0.891 nan 8.310 nan 0.000 0.469 123 G N -0.419 108.270 108.800 -0.185 0.000 2.880 123 G HA2 0.083 4.044 3.960 0.001 0.000 0.209 123 G HA3 0.083 4.044 3.960 0.001 0.000 0.209 123 G C -0.080 174.914 174.900 0.157 0.000 1.157 123 G CA -0.515 44.578 45.100 -0.012 0.000 0.779 123 G HN 0.494 nan 8.290 nan 0.000 0.539 124 W N 2.515 123.750 121.300 -0.108 0.000 1.839 124 W HA 0.333 4.993 4.660 0.001 0.000 0.489 124 W C 1.178 177.704 176.519 0.011 0.000 0.789 124 W CA -1.298 55.983 57.345 -0.107 0.000 1.900 124 W CB -0.830 28.395 29.460 -0.392 0.000 1.773 124 W HN 0.040 nan 8.180 nan 0.000 0.251 125 V N -0.603 119.437 119.914 0.209 0.000 3.406 125 V HA 0.140 4.260 4.120 0.001 0.000 0.263 125 V C 0.740 176.907 176.094 0.121 0.000 1.172 125 V CA 0.626 63.015 62.300 0.149 0.000 1.140 125 V CB -0.416 31.460 31.823 0.089 0.000 0.784 125 V HN 0.074 nan 8.190 nan 0.000 0.467 126 K N 0.662 121.108 120.400 0.077 0.000 2.340 126 K HA 0.594 4.914 4.320 0.001 0.000 0.244 126 K C -2.908 173.645 176.600 -0.078 0.000 0.973 126 K CA -2.267 53.986 56.287 -0.057 0.000 0.828 126 K CB 1.939 34.294 32.500 -0.243 0.000 1.226 126 K HN 0.003 nan 8.250 nan 0.000 0.437 127 P HA 0.155 nan 4.420 nan 0.000 0.271 127 P C -0.821 176.280 177.300 -0.333 0.000 1.218 127 P CA -0.005 62.996 63.100 -0.165 0.000 0.780 127 P CB 0.516 32.243 31.700 0.046 0.000 0.901 128 I N 3.483 123.872 120.570 -0.302 0.000 2.389 128 I HA 0.361 4.531 4.170 0.001 0.000 0.288 128 I C -0.069 175.952 176.117 -0.160 0.000 0.999 128 I CA -0.517 60.501 61.300 -0.470 0.000 1.129 128 I CB 1.019 38.679 38.000 -0.567 0.000 1.288 128 I HN 0.115 nan 8.210 nan 0.000 0.444 129 I N 7.327 127.884 120.570 -0.022 0.000 2.339 129 I HA 0.407 4.578 4.170 0.001 0.000 0.290 129 I C -0.222 176.024 176.117 0.214 0.000 0.994 129 I CA -0.487 60.890 61.300 0.128 0.000 1.191 129 I CB 1.580 39.698 38.000 0.196 0.000 1.343 129 I HN 0.380 nan 8.210 nan 0.000 0.458 130 I N 5.153 125.815 120.570 0.152 0.000 2.353 130 I HA 0.350 4.520 4.170 0.001 0.000 0.293 130 I C 0.678 176.848 176.117 0.088 0.000 0.992 130 I CA -0.256 61.094 61.300 0.083 0.000 1.268 130 I CB 1.616 39.534 38.000 -0.135 0.000 1.387 130 I HN 0.637 nan 8.210 nan 0.000 0.478 131 G N 6.257 115.101 108.800 0.074 0.000 2.655 131 G HA2 0.328 4.288 3.960 0.001 0.000 0.334 131 G HA3 0.328 4.288 3.960 0.001 0.000 0.334 131 G C -0.323 174.533 174.900 -0.072 0.000 1.099 131 G CA -0.564 44.445 45.100 -0.152 0.000 1.075 131 G HN 0.612 nan 8.290 nan 0.000 0.463 132 R N 2.352 122.708 120.500 -0.240 0.000 2.216 132 R HA 0.154 4.494 4.340 0.001 0.000 0.332 132 R C -0.257 175.848 176.300 -0.325 0.000 1.056 132 R CA -0.648 55.300 56.100 -0.253 0.000 0.901 132 R CB 0.186 30.317 30.300 -0.281 0.000 1.039 132 R HN 0.694 nan 8.270 nan 0.000 0.456 133 H N 3.316 121.970 119.070 -0.694 0.000 3.107 133 H HA -0.001 4.556 4.556 0.001 0.000 0.301 133 H C 0.386 175.452 175.328 -0.437 0.000 0.981 133 H CA 0.309 55.825 56.048 -0.886 0.000 1.443 133 H CB 1.038 30.087 29.762 -1.188 0.000 1.479 133 H HN 0.814 nan 8.280 nan 0.000 0.564 134 A N 5.519 128.193 122.820 -0.244 0.000 2.278 134 A HA 0.005 4.326 4.320 0.001 0.000 0.212 134 A C -0.286 177.156 177.584 -0.237 0.000 1.213 134 A CA 0.030 51.913 52.037 -0.255 0.000 0.840 134 A CB -0.148 18.762 19.000 -0.150 0.000 0.866 134 A HN 0.692 nan 8.150 nan 0.000 0.489 135 Y N -0.938 118.995 120.300 -0.612 0.000 2.499 135 Y HA 0.484 5.034 4.550 0.001 0.000 0.347 135 Y C 0.848 176.471 175.900 -0.461 0.000 0.987 135 Y CA 0.002 57.824 58.100 -0.464 0.000 1.044 135 Y CB 1.203 39.469 38.460 -0.323 0.000 1.245 135 Y HN 0.671 nan 8.280 nan 0.000 0.461 136 G N 3.754 111.987 108.800 -0.944 0.000 2.569 136 G HA2 -0.225 3.736 3.960 0.001 0.000 0.259 136 G HA3 -0.225 3.736 3.960 0.001 0.000 0.259 136 G C -0.218 174.501 174.900 -0.303 0.000 1.263 136 G CA 0.207 44.843 45.100 -0.773 0.000 0.928 136 G HN 1.058 nan 8.290 nan 0.000 0.572 137 D N -2.302 117.965 120.400 -0.221 0.000 3.307 137 D HA -0.201 4.439 4.640 0.001 0.000 0.197 137 D C 1.746 177.981 176.300 -0.109 0.000 1.363 137 D CA 2.018 55.997 54.000 -0.036 0.000 1.100 137 D CB -1.157 39.689 40.800 0.076 0.000 0.616 137 D HN 0.839 nan 8.370 nan 0.000 0.719 138 Q N -1.053 118.666 119.800 -0.135 0.000 2.443 138 Q HA -0.097 4.244 4.340 0.001 0.000 0.213 138 Q C 1.352 177.062 176.000 -0.483 0.000 0.982 138 Q CA 1.286 56.880 55.803 -0.347 0.000 0.894 138 Q CB -0.229 28.203 28.738 -0.510 0.000 0.947 138 Q HN 0.515 nan 8.270 nan 0.000 0.480 139 Y N -1.277 118.938 120.300 -0.143 0.000 2.461 139 Y HA 0.261 4.811 4.550 0.001 0.000 0.277 139 Y C 0.895 176.699 175.900 -0.161 0.000 1.182 139 Y CA -0.018 57.999 58.100 -0.137 0.000 1.276 139 Y CB 0.547 38.920 38.460 -0.144 0.000 1.087 139 Y HN -0.125 nan 8.280 nan 0.000 0.519 140 R N 0.241 120.676 120.500 -0.108 0.000 2.481 140 R HA 0.521 4.861 4.340 0.001 0.000 0.396 140 R C -0.833 175.447 176.300 -0.035 0.000 0.950 140 R CA -0.001 56.040 56.100 -0.097 0.000 1.095 140 R CB -0.442 29.717 30.300 -0.235 0.000 1.472 140 R HN 0.059 nan 8.270 nan 0.000 0.628 141 A N -0.533 122.260 122.820 -0.046 0.000 2.242 141 A HA 0.725 5.046 4.320 0.001 0.000 0.304 141 A C -0.530 177.081 177.584 0.046 0.000 1.100 141 A CA -0.351 51.687 52.037 0.002 0.000 0.860 141 A CB 0.889 19.848 19.000 -0.069 0.000 1.168 141 A HN 0.250 nan 8.150 nan 0.000 0.503 142 T N 1.959 116.562 114.554 0.081 0.000 2.991 142 T HA 0.436 4.786 4.350 0.001 0.000 0.347 142 T C -1.267 173.527 174.700 0.157 0.000 1.122 142 T CA -0.565 61.610 62.100 0.125 0.000 1.062 142 T CB 0.168 69.130 68.868 0.157 0.000 1.043 142 T HN 0.743 nan 8.240 nan 0.000 0.491 143 D N 2.487 122.952 120.400 0.109 0.000 2.269 143 D HA 0.705 5.345 4.640 0.001 0.000 0.244 143 D C -0.388 175.999 176.300 0.145 0.000 0.992 143 D CA -0.730 53.283 54.000 0.022 0.000 0.894 143 D CB 1.705 42.455 40.800 -0.083 0.000 1.248 143 D HN 0.417 nan 8.370 nan 0.000 0.468 144 F N -1.798 118.134 119.950 -0.031 0.000 2.741 144 F HA 0.571 5.099 4.527 0.001 0.000 0.313 144 F C -1.571 174.199 175.800 -0.049 0.000 1.153 144 F CA -1.388 56.589 58.000 -0.039 0.000 0.931 144 F CB 0.819 39.797 39.000 -0.036 0.000 1.335 144 F HN 0.133 nan 8.300 nan 0.000 0.460 145 V N 1.959 121.955 119.914 0.136 0.000 2.567 145 V HA 0.470 4.591 4.120 0.001 0.000 0.289 145 V C -0.344 175.795 176.094 0.074 0.000 1.049 145 V CA -0.835 61.475 62.300 0.017 0.000 0.969 145 V CB 1.463 33.292 31.823 0.011 0.000 0.995 145 V HN 0.666 nan 8.190 nan 0.000 0.471 146 V N 7.946 127.804 119.914 -0.094 0.000 2.304 146 V HA 0.214 4.335 4.120 0.001 0.000 0.269 146 V C -0.885 175.108 176.094 -0.169 0.000 1.036 146 V CA -0.979 61.206 62.300 -0.192 0.000 0.840 146 V CB 1.234 32.665 31.823 -0.654 0.000 1.036 146 V HN 0.838 nan 8.190 nan 0.000 0.466 147 P HA -0.013 nan 4.420 nan 0.000 0.218 147 P C 0.681 177.941 177.300 -0.067 0.000 1.148 147 P CA 1.349 64.413 63.100 -0.061 0.000 0.822 147 P CB 0.702 32.381 31.700 -0.036 0.000 0.784 148 G N -1.496 107.248 108.800 -0.094 0.000 2.554 148 G HA2 0.434 4.394 3.960 0.001 0.000 0.306 148 G HA3 0.434 4.394 3.960 0.001 0.000 0.306 148 G C -3.282 171.586 174.900 -0.053 0.000 1.320 148 G CA -1.003 44.064 45.100 -0.054 0.000 0.800 148 G HN -0.235 nan 8.290 nan 0.000 0.481 149 P HA 0.406 nan 4.420 nan 0.000 0.263 149 P C 0.510 177.846 177.300 0.060 0.000 1.168 149 P CA 1.703 64.852 63.100 0.083 0.000 0.759 149 P CB 0.854 32.594 31.700 0.066 0.000 0.782 150 G N 1.197 110.070 108.800 0.121 0.000 2.341 150 G HA2 0.208 4.168 3.960 0.001 0.000 0.293 150 G HA3 0.208 4.168 3.960 0.001 0.000 0.293 150 G C -1.849 173.158 174.900 0.179 0.000 1.298 150 G CA -0.852 44.307 45.100 0.098 0.000 0.868 150 G HN 0.382 nan 8.290 nan 0.000 0.540 151 K N -0.461 120.022 120.400 0.138 0.000 2.221 151 K HA 0.682 5.003 4.320 0.001 0.000 0.258 151 K C -0.890 175.829 176.600 0.199 0.000 0.944 151 K CA -0.780 55.607 56.287 0.166 0.000 0.823 151 K CB 2.707 35.262 32.500 0.092 0.000 1.113 151 K HN 0.294 nan 8.250 nan 0.000 0.431 152 V N 3.147 123.225 119.914 0.274 0.000 2.417 152 V HA 0.309 4.430 4.120 0.001 0.000 0.291 152 V C -0.628 175.603 176.094 0.227 0.000 1.024 152 V CA -0.615 61.860 62.300 0.292 0.000 0.861 152 V CB 1.502 33.572 31.823 0.412 0.000 0.985 152 V HN 0.783 nan 8.190 nan 0.000 0.436 153 E N 3.939 124.257 120.200 0.197 0.000 2.340 153 E HA 0.605 4.955 4.350 0.001 0.000 0.273 153 E C -1.149 175.564 176.600 0.188 0.000 0.891 153 E CA -0.740 55.767 56.400 0.178 0.000 0.757 153 E CB 3.415 33.197 29.700 0.136 0.000 1.231 153 E HN 0.604 nan 8.360 nan 0.000 0.439 154 I N 1.109 121.808 120.570 0.215 0.000 2.474 154 I HA 0.460 4.630 4.170 0.001 0.000 0.294 154 I C -1.221 175.065 176.117 0.281 0.000 1.005 154 I CA -0.127 61.303 61.300 0.217 0.000 1.113 154 I CB 1.639 39.751 38.000 0.186 0.000 1.289 154 I HN 0.455 nan 8.210 nan 0.000 0.436 155 T N 6.082 120.778 114.554 0.237 0.000 2.876 155 T HA 0.347 4.698 4.350 0.001 0.000 0.289 155 T C -1.574 173.296 174.700 0.283 0.000 1.014 155 T CA -0.266 61.983 62.100 0.248 0.000 0.986 155 T CB 1.237 70.187 68.868 0.136 0.000 1.021 155 T HN 0.409 nan 8.240 nan 0.000 0.458 156 Y N 1.997 122.398 120.300 0.168 0.000 2.328 156 Y HA 0.562 5.112 4.550 0.001 0.000 0.337 156 Y C -0.593 175.355 175.900 0.079 0.000 0.966 156 Y CA -0.877 57.300 58.100 0.128 0.000 1.136 156 Y CB 1.174 39.740 38.460 0.178 0.000 1.170 156 Y HN 0.555 nan 8.280 nan 0.000 0.470 157 T N 9.159 123.468 114.554 -0.409 0.000 2.842 157 T HA 0.374 4.724 4.350 0.001 0.000 0.308 157 T C -2.653 171.664 174.700 -0.638 0.000 1.041 157 T CA -1.299 60.536 62.100 -0.442 0.000 0.964 157 T CB 0.969 69.734 68.868 -0.171 0.000 0.972 157 T HN 0.448 nan 8.240 nan 0.000 0.460 158 P HA 0.129 nan 4.420 nan 0.000 0.269 158 P C 0.815 178.006 177.300 -0.181 0.000 1.209 158 P CA -0.292 62.548 63.100 -0.434 0.000 0.776 158 P CB 0.620 32.164 31.700 -0.260 0.000 0.876 159 S N 0.172 115.828 115.700 -0.075 0.000 2.470 159 S HA -0.100 4.370 4.470 0.001 0.000 0.225 159 S C 1.065 175.649 174.600 -0.026 0.000 1.006 159 S CA 0.618 58.796 58.200 -0.037 0.000 0.934 159 S CB -0.657 62.542 63.200 -0.001 0.000 0.778 159 S HN 0.547 nan 8.310 nan 0.000 0.517 160 D N 1.083 121.472 120.400 -0.019 0.000 2.323 160 D HA 0.244 4.885 4.640 0.001 0.000 0.239 160 D C 1.349 177.637 176.300 -0.020 0.000 1.129 160 D CA 0.440 54.435 54.000 -0.009 0.000 0.865 160 D CB -0.872 39.932 40.800 0.007 0.000 0.913 160 D HN 0.509 nan 8.370 nan 0.000 0.517 161 G N 0.040 108.818 108.800 -0.037 0.000 2.168 161 G HA2 -0.338 3.623 3.960 0.001 0.000 0.263 161 G HA3 -0.338 3.623 3.960 0.001 0.000 0.263 161 G C 0.666 175.542 174.900 -0.040 0.000 0.977 161 G CA 0.983 46.060 45.100 -0.039 0.000 0.659 161 G HN 0.736 nan 8.290 nan 0.000 0.533 162 T N -1.495 113.034 114.554 -0.042 0.000 2.801 162 T HA 0.517 4.868 4.350 0.001 0.000 0.324 162 T C 0.665 175.335 174.700 -0.050 0.000 1.088 162 T CA 0.142 62.224 62.100 -0.031 0.000 0.975 162 T CB 0.397 69.260 68.868 -0.008 0.000 1.316 162 T HN 0.589 nan 8.240 nan 0.000 0.533 163 Q N 0.717 120.499 119.800 -0.029 0.000 2.304 163 Q HA 0.145 4.486 4.340 0.001 0.000 0.301 163 Q C -0.113 175.852 176.000 -0.058 0.000 1.063 163 Q CA 0.164 55.948 55.803 -0.031 0.000 0.947 163 Q CB 0.284 29.019 28.738 -0.006 0.000 1.201 163 Q HN 0.481 nan 8.270 nan 0.000 0.389 164 K N 2.045 122.406 120.400 -0.064 0.000 2.130 164 K HA 0.463 4.783 4.320 0.001 0.000 0.268 164 K C -1.347 175.227 176.600 -0.043 0.000 0.983 164 K CA -0.626 55.613 56.287 -0.079 0.000 0.893 164 K CB 1.109 33.565 32.500 -0.074 0.000 1.066 164 K HN 0.497 nan 8.250 nan 0.000 0.450 165 V N 2.697 122.607 119.914 -0.008 0.000 2.531 165 V HA 0.287 4.408 4.120 0.001 0.000 0.301 165 V C -0.611 175.425 176.094 -0.097 0.000 1.034 165 V CA -0.838 61.407 62.300 -0.092 0.000 0.865 165 V CB 1.797 33.555 31.823 -0.108 0.000 0.995 165 V HN 0.823 nan 8.190 nan 0.000 0.424 166 T N 4.833 119.281 114.554 -0.177 0.000 2.772 166 T HA 0.619 4.970 4.350 0.001 0.000 0.288 166 T C -0.967 173.656 174.700 -0.128 0.000 0.994 166 T CA -0.184 61.886 62.100 -0.051 0.000 0.951 166 T CB 0.403 69.269 68.868 -0.003 0.000 0.933 166 T HN 0.427 nan 8.240 nan 0.000 0.447 167 Y N 2.019 122.369 120.300 0.083 0.000 2.342 167 Y HA 0.555 5.105 4.550 0.001 0.000 0.334 167 Y C 0.091 176.037 175.900 0.076 0.000 1.067 167 Y CA -1.515 56.631 58.100 0.077 0.000 1.128 167 Y CB 0.881 39.392 38.460 0.084 0.000 1.200 167 Y HN 0.436 nan 8.280 nan 0.000 0.464 168 L N 3.808 125.155 121.223 0.205 0.000 2.313 168 L HA 0.256 4.597 4.340 0.001 0.000 0.282 168 L C 0.222 177.183 176.870 0.152 0.000 1.092 168 L CA 0.289 55.217 54.840 0.146 0.000 0.831 168 L CB 0.602 42.714 42.059 0.088 0.000 1.159 168 L HN 0.717 nan 8.230 nan 0.000 0.442 169 V N 3.802 123.811 119.914 0.160 0.000 2.331 169 V HA 0.050 4.171 4.120 0.001 0.000 0.242 169 V C 0.154 176.347 176.094 0.166 0.000 1.034 169 V CA 1.053 63.443 62.300 0.150 0.000 1.027 169 V CB -0.715 31.211 31.823 0.171 0.000 0.667 169 V HN 0.961 nan 8.190 nan 0.000 0.457 170 H N -0.800 118.289 119.070 0.032 0.000 3.139 170 H HA 0.362 4.919 4.556 0.001 0.000 0.325 170 H C -1.131 174.165 175.328 -0.054 0.000 1.146 170 H CA -0.886 55.097 56.048 -0.107 0.000 1.351 170 H CB 0.777 30.334 29.762 -0.340 0.000 2.005 170 H HN 0.151 nan 8.280 nan 0.000 0.517 171 N N 3.980 122.226 118.700 -0.756 0.000 2.457 171 N HA 0.230 4.970 4.740 0.001 0.000 0.250 171 N C -1.455 173.674 175.510 -0.635 0.000 0.982 171 N CA -0.380 52.420 53.050 -0.417 0.000 0.941 171 N CB 0.160 38.513 38.487 -0.225 0.000 1.120 171 N HN 0.310 nan 8.380 nan 0.000 0.505 172 F N 2.069 121.872 119.950 -0.245 0.000 2.438 172 F HA 0.231 4.759 4.527 0.001 0.000 0.360 172 F C 1.604 177.380 175.800 -0.040 0.000 1.118 172 F CA -0.270 57.696 58.000 -0.057 0.000 1.164 172 F CB 1.047 40.092 39.000 0.075 0.000 1.131 172 F HN 0.574 nan 8.300 nan 0.000 0.527 173 E N 1.596 121.852 120.200 0.093 0.000 2.216 173 E HA 0.048 4.399 4.350 0.001 0.000 0.192 173 E C -0.166 176.485 176.600 0.084 0.000 0.973 173 E CA 0.561 56.999 56.400 0.062 0.000 0.851 173 E CB 0.394 30.103 29.700 0.014 0.000 0.804 173 E HN 0.603 nan 8.360 nan 0.000 0.477 174 E N -0.116 120.152 120.200 0.114 0.000 2.287 174 E HA 0.425 4.775 4.350 0.001 0.000 0.274 174 E C -0.336 176.340 176.600 0.126 0.000 0.896 174 E CA -0.315 56.142 56.400 0.095 0.000 0.788 174 E CB 2.123 31.861 29.700 0.064 0.000 1.244 174 E HN 0.222 nan 8.360 nan 0.000 0.408 175 G N 1.744 110.604 108.800 0.101 0.000 2.681 175 G HA2 -0.049 3.912 3.960 0.001 0.000 0.220 175 G HA3 -0.049 3.912 3.960 0.001 0.000 0.220 175 G C 0.113 175.088 174.900 0.125 0.000 1.353 175 G CA -0.455 44.702 45.100 0.096 0.000 0.872 175 G HN 0.801 nan 8.290 nan 0.000 0.557 176 G N -2.503 106.350 108.800 0.089 0.000 3.252 176 G HA2 1.119 5.080 3.960 0.001 0.000 0.181 176 G HA3 1.119 5.080 3.960 0.001 0.000 0.181 176 G C 0.524 175.485 174.900 0.101 0.000 1.187 176 G CA 0.904 46.006 45.100 0.003 0.000 0.886 176 G HN 2.483 nan 8.290 nan 0.000 0.615 177 G N -2.116 106.667 108.800 -0.028 0.000 2.564 177 G HA2 0.558 4.518 3.960 0.001 0.000 0.139 177 G HA3 0.558 4.518 3.960 0.001 0.000 0.139 177 G C -1.102 173.770 174.900 -0.047 0.000 1.147 177 G CA 0.951 46.092 45.100 0.068 0.000 1.031 177 G HN 1.957 nan 8.290 nan 0.000 0.482 178 V N -2.673 117.234 119.914 -0.011 0.000 3.159 178 V HA 1.050 5.170 4.120 0.001 0.000 0.308 178 V C -0.134 175.859 176.094 -0.168 0.000 1.190 178 V CA -0.032 62.179 62.300 -0.149 0.000 1.037 178 V CB 1.161 32.900 31.823 -0.141 0.000 1.060 178 V HN 2.669 nan 8.190 nan 0.000 0.437 179 A N 3.562 126.100 122.820 -0.470 0.000 2.609 179 A HA 1.044 5.365 4.320 0.001 0.000 0.291 179 A C -0.830 176.364 177.584 -0.650 0.000 1.096 179 A CA -0.206 51.542 52.037 -0.481 0.000 0.684 179 A CB 2.187 20.920 19.000 -0.445 0.000 1.282 179 A HN 2.414 nan 8.150 nan 0.000 0.412 180 M N -0.138 119.275 119.600 -0.312 0.000 2.694 180 M HA 0.738 5.219 4.480 0.001 0.000 0.276 180 M C -0.497 175.797 176.300 -0.010 0.000 1.167 180 M CA -0.225 54.984 55.300 -0.152 0.000 0.849 180 M CB 1.574 34.083 32.600 -0.152 0.000 1.705 180 M HN 1.492 nan 8.290 nan 0.000 0.504 181 G N 2.118 110.960 108.800 0.070 0.000 2.524 181 G HA2 0.877 4.837 3.960 0.001 0.000 0.310 181 G HA3 0.877 4.837 3.960 0.001 0.000 0.310 181 G C -1.141 173.823 174.900 0.106 0.000 1.279 181 G CA -0.978 44.182 45.100 0.101 0.000 0.974 181 G HN 1.125 nan 8.290 nan 0.000 0.484 182 M N 0.436 120.117 119.600 0.134 0.000 2.721 182 M HA 0.845 5.325 4.480 0.001 0.000 0.271 182 M C -1.468 175.042 176.300 0.349 0.000 1.259 182 M CA -1.138 54.260 55.300 0.163 0.000 0.835 182 M CB 2.470 35.072 32.600 0.003 0.000 1.689 182 M HN 0.872 nan 8.290 nan 0.000 0.470 183 Y N -1.388 119.045 120.300 0.223 0.000 2.853 183 Y HA 0.826 5.376 4.550 0.001 0.000 0.326 183 Y C -2.054 173.959 175.900 0.189 0.000 1.384 183 Y CA -0.862 57.376 58.100 0.229 0.000 1.077 183 Y CB 1.541 40.073 38.460 0.120 0.000 1.395 183 Y HN 1.011 nan 8.280 nan 0.000 0.451 184 N N -0.544 118.226 118.700 0.116 0.000 2.961 184 N HA 0.384 5.124 4.740 0.001 0.000 0.245 184 N C -2.345 173.335 175.510 0.283 0.000 1.404 184 N CA -0.941 52.187 53.050 0.130 0.000 0.880 184 N CB 2.412 40.976 38.487 0.130 0.000 1.461 184 N HN 0.762 nan 8.380 nan 0.000 0.510 185 Q N 0.465 120.441 119.800 0.292 0.000 2.342 185 Q HA 0.468 4.809 4.340 0.001 0.000 0.267 185 Q C -0.655 175.360 176.000 0.024 0.000 1.038 185 Q CA -0.774 55.122 55.803 0.155 0.000 0.832 185 Q CB 2.001 30.847 28.738 0.179 0.000 1.323 185 Q HN 0.433 nan 8.270 nan 0.000 0.448 186 D N 1.716 122.104 120.400 -0.020 0.000 2.116 186 D HA -0.221 4.419 4.640 0.001 0.000 0.193 186 D C 1.375 177.654 176.300 -0.034 0.000 0.998 186 D CA 1.814 55.783 54.000 -0.053 0.000 0.836 186 D CB 0.109 40.888 40.800 -0.035 0.000 0.951 186 D HN 0.584 nan 8.370 nan 0.000 0.449 187 K N 0.861 121.251 120.400 -0.017 0.000 2.032 187 K HA -0.113 4.207 4.320 0.001 0.000 0.209 187 K C 2.080 178.671 176.600 -0.015 0.000 1.048 187 K CA 1.583 57.861 56.287 -0.014 0.000 0.927 187 K CB -0.789 31.697 32.500 -0.024 0.000 0.712 187 K HN -0.012 nan 8.250 nan 0.000 0.441 188 S N -0.377 115.301 115.700 -0.036 0.000 2.382 188 S HA -0.036 4.434 4.470 0.001 0.000 0.228 188 S C 1.906 176.552 174.600 0.077 0.000 1.027 188 S CA 1.280 59.483 58.200 0.006 0.000 0.991 188 S CB -0.310 62.842 63.200 -0.080 0.000 0.823 188 S HN 0.388 nan 8.310 nan 0.000 0.469 189 I N 0.986 121.558 120.570 0.004 0.000 2.394 189 I HA -0.126 4.045 4.170 0.001 0.000 0.251 189 I C 2.533 178.632 176.117 -0.030 0.000 1.136 189 I CA 1.211 62.464 61.300 -0.079 0.000 1.425 189 I CB -0.337 37.482 38.000 -0.302 0.000 1.079 189 I HN 0.378 nan 8.210 nan 0.000 0.425 190 E N 0.805 120.988 120.200 -0.028 0.000 2.072 190 E HA -0.215 4.135 4.350 0.001 0.000 0.191 190 E C 1.702 178.348 176.600 0.077 0.000 0.985 190 E CA 1.271 57.663 56.400 -0.013 0.000 0.801 190 E CB 0.023 29.755 29.700 0.053 0.000 0.750 190 E HN 0.423 nan 8.360 nan 0.000 0.452 191 D N 0.206 120.671 120.400 0.108 0.000 2.144 191 D HA -0.158 4.482 4.640 0.001 0.000 0.199 191 D C 1.680 178.063 176.300 0.139 0.000 0.984 191 D CA 0.656 54.743 54.000 0.146 0.000 0.834 191 D CB -0.254 40.604 40.800 0.096 0.000 0.955 191 D HN 0.103 nan 8.370 nan 0.000 0.465 192 F N 2.049 121.930 119.950 -0.115 0.000 2.134 192 F HA -0.125 4.403 4.527 0.001 0.000 0.299 192 F C 2.162 177.811 175.800 -0.251 0.000 1.097 192 F CA 1.251 59.153 58.000 -0.163 0.000 1.264 192 F CB -0.632 38.151 39.000 -0.361 0.000 1.001 192 F HN -0.068 nan 8.300 nan 0.000 0.479 193 A N -0.375 122.018 122.820 -0.711 0.000 1.877 193 A HA -0.213 4.107 4.320 0.001 0.000 0.216 193 A C 2.030 179.115 177.584 -0.832 0.000 1.186 193 A CA 1.894 53.000 52.037 -1.552 0.000 0.620 193 A CB -1.452 16.613 19.000 -1.558 0.000 0.822 193 A HN 0.602 nan 8.150 nan 0.000 0.443 194 H N 0.365 119.291 119.070 -0.240 0.000 2.352 194 H HA -0.126 4.430 4.556 0.001 0.000 0.299 194 H C 2.712 178.006 175.328 -0.057 0.000 1.097 194 H CA 2.224 58.270 56.048 -0.003 0.000 1.311 194 H CB 0.012 29.836 29.762 0.104 0.000 1.377 194 H HN 0.679 nan 8.280 nan 0.000 0.504 195 S N -0.635 115.124 115.700 0.098 0.000 2.402 195 S HA -0.138 4.332 4.470 0.001 0.000 0.229 195 S C 2.188 176.890 174.600 0.171 0.000 1.021 195 S CA 1.214 59.526 58.200 0.185 0.000 0.974 195 S CB -0.170 63.208 63.200 0.297 0.000 0.800 195 S HN 0.238 nan 8.310 nan 0.000 0.484 196 S N 1.414 117.065 115.700 -0.082 0.000 2.357 196 S HA 0.140 4.611 4.470 0.001 0.000 0.221 196 S C 1.408 175.900 174.600 -0.181 0.000 1.031 196 S CA 1.109 59.228 58.200 -0.135 0.000 0.982 196 S CB -0.567 62.374 63.200 -0.431 0.000 0.853 196 S HN 0.554 nan 8.310 nan 0.000 0.458 197 F N 2.111 121.919 119.950 -0.237 0.000 2.171 197 F HA -0.058 4.469 4.527 0.001 0.000 0.300 197 F C 2.598 178.288 175.800 -0.184 0.000 1.090 197 F CA 0.816 58.653 58.000 -0.271 0.000 1.293 197 F CB -0.828 37.560 39.000 -1.019 0.000 1.013 197 F HN 0.219 nan 8.300 nan 0.000 0.486 198 Q N -1.054 118.729 119.800 -0.029 0.000 2.119 198 Q HA -0.208 4.133 4.340 0.001 0.000 0.201 198 Q C 2.191 178.163 176.000 -0.047 0.000 0.972 198 Q CA 1.462 57.273 55.803 0.013 0.000 0.847 198 Q CB -0.320 28.457 28.738 0.064 0.000 0.903 198 Q HN 0.323 nan 8.270 nan 0.000 0.433 199 M N 0.631 120.190 119.600 -0.068 0.000 2.132 199 M HA -0.049 4.431 4.480 0.001 0.000 0.263 199 M C 1.925 178.126 176.300 -0.165 0.000 1.065 199 M CA 1.708 56.895 55.300 -0.188 0.000 1.122 199 M CB -0.413 32.035 32.600 -0.253 0.000 1.365 199 M HN 0.136 nan 8.290 nan 0.000 0.411 200 A N -0.166 122.613 122.820 -0.068 0.000 1.933 200 A HA -0.084 4.237 4.320 0.001 0.000 0.218 200 A C 2.188 179.602 177.584 -0.282 0.000 1.175 200 A CA 1.621 53.593 52.037 -0.109 0.000 0.628 200 A CB -1.033 17.982 19.000 0.026 0.000 0.814 200 A HN 0.571 nan 8.150 nan 0.000 0.444 201 L N 0.305 121.371 121.223 -0.261 0.000 2.156 201 L HA -0.134 4.206 4.340 0.001 0.000 0.208 201 L C 2.931 179.673 176.870 -0.213 0.000 1.095 201 L CA 1.425 56.106 54.840 -0.264 0.000 0.770 201 L CB -0.318 41.672 42.059 -0.116 0.000 0.914 201 L HN 0.604 nan 8.230 nan 0.000 0.439 202 S N -1.117 114.460 115.700 -0.205 0.000 2.428 202 S HA -0.066 4.404 4.470 0.001 0.000 0.230 202 S C 1.882 176.294 174.600 -0.313 0.000 1.014 202 S CA 0.429 58.501 58.200 -0.214 0.000 0.957 202 S CB -0.035 63.046 63.200 -0.198 0.000 0.784 202 S HN 0.264 nan 8.310 nan 0.000 0.499 203 K N 0.785 120.923 120.400 -0.437 0.000 2.284 203 K HA 0.255 4.576 4.320 0.001 0.000 0.198 203 K C 1.378 177.537 176.600 -0.735 0.000 1.048 203 K CA 0.747 56.586 56.287 -0.747 0.000 0.987 203 K CB -0.477 31.358 32.500 -1.107 0.000 0.800 203 K HN 0.579 nan 8.250 nan 0.000 0.486 204 G N 1.592 110.130 108.800 -0.436 0.000 2.182 204 G HA2 -0.166 3.794 3.960 0.001 0.000 0.248 204 G HA3 -0.166 3.794 3.960 0.001 0.000 0.248 204 G C -0.652 174.242 174.900 -0.010 0.000 1.042 204 G CA -0.041 44.919 45.100 -0.232 0.000 0.775 204 G HN 0.034 nan 8.290 nan 0.000 0.501 205 W N -1.069 120.107 121.300 -0.206 0.000 2.799 205 W HA 0.609 5.269 4.660 0.001 0.000 0.349 205 W C -2.238 174.095 176.519 -0.310 0.000 1.100 205 W CA -3.187 54.034 57.345 -0.206 0.000 1.174 205 W CB 0.356 29.756 29.460 -0.101 0.000 1.427 205 W HN -0.026 nan 8.180 nan 0.000 0.547 206 P HA 0.136 nan 4.420 nan 0.000 0.272 206 P C -0.772 176.372 177.300 -0.259 0.000 1.230 206 P CA -0.160 62.568 63.100 -0.620 0.000 0.788 206 P CB 0.655 31.532 31.700 -1.372 0.000 0.949 207 L N 2.791 123.871 121.223 -0.237 0.000 2.362 207 L HA 0.574 4.914 4.340 0.001 0.000 0.271 207 L C -1.656 175.056 176.870 -0.263 0.000 1.002 207 L CA -0.615 54.226 54.840 0.001 0.000 0.818 207 L CB 0.984 43.236 42.059 0.321 0.000 1.298 207 L HN 0.242 nan 8.230 nan 0.000 0.420 208 Y N 4.624 125.035 120.300 0.186 0.000 2.442 208 Y HA 0.683 5.234 4.550 0.001 0.000 0.344 208 Y C -0.872 175.100 175.900 0.121 0.000 0.976 208 Y CA -0.791 57.320 58.100 0.019 0.000 1.040 208 Y CB 2.106 40.421 38.460 -0.243 0.000 1.228 208 Y HN 0.578 nan 8.280 nan 0.000 0.451 209 L N 3.168 124.498 121.223 0.178 0.000 2.365 209 L HA 0.852 5.193 4.340 0.001 0.000 0.273 209 L C -0.605 176.211 176.870 -0.091 0.000 1.000 209 L CA -0.408 54.462 54.840 0.050 0.000 0.819 209 L CB 1.795 43.771 42.059 -0.139 0.000 1.284 209 L HN 0.608 nan 8.230 nan 0.000 0.418 210 S N 2.140 117.854 115.700 0.022 0.000 2.500 210 S HA 0.976 5.447 4.470 0.001 0.000 0.301 210 S C -0.289 174.295 174.600 -0.027 0.000 1.092 210 S CA 0.076 58.240 58.200 -0.061 0.000 1.030 210 S CB 1.629 64.940 63.200 0.186 0.000 1.031 210 S HN 1.020 nan 8.310 nan 0.000 0.483 211 T N -1.076 113.459 114.554 -0.032 0.000 2.671 211 T HA 0.668 5.019 4.350 0.001 0.000 0.300 211 T C -1.016 173.738 174.700 0.091 0.000 1.238 211 T CA -0.803 61.342 62.100 0.075 0.000 1.020 211 T CB 1.528 70.526 68.868 0.216 0.000 1.503 211 T HN 0.531 nan 8.240 nan 0.000 0.497 212 K N 1.162 121.615 120.400 0.089 0.000 3.202 212 K HA 0.305 4.625 4.320 0.001 0.000 0.206 212 K C 1.306 177.958 176.600 0.087 0.000 1.142 212 K CA -0.340 55.990 56.287 0.072 0.000 0.979 212 K CB -0.527 31.991 32.500 0.030 0.000 0.863 212 K HN 0.593 nan 8.250 nan 0.000 0.479 213 N N -0.426 118.353 118.700 0.133 0.000 2.430 213 N HA -0.178 4.563 4.740 0.001 0.000 0.186 213 N C 0.813 176.368 175.510 0.074 0.000 1.032 213 N CA 1.812 54.927 53.050 0.109 0.000 0.893 213 N CB -0.181 38.359 38.487 0.089 0.000 0.957 213 N HN 0.352 nan 8.380 nan 0.000 0.442 214 T N -1.814 112.780 114.554 0.067 0.000 2.951 214 T HA 0.084 4.435 4.350 0.001 0.000 0.268 214 T C 1.867 176.588 174.700 0.036 0.000 1.073 214 T CA 0.391 62.519 62.100 0.046 0.000 1.134 214 T CB 0.062 68.955 68.868 0.041 0.000 0.884 214 T HN 0.042 nan 8.240 nan 0.000 0.479 215 I N 0.571 121.161 120.570 0.034 0.000 2.685 215 I HA 0.326 4.496 4.170 0.001 0.000 0.251 215 I C 1.194 177.324 176.117 0.022 0.000 1.102 215 I CA 0.375 61.686 61.300 0.017 0.000 1.442 215 I CB -0.634 37.366 38.000 0.001 0.000 1.194 215 I HN 0.248 nan 8.210 nan 0.000 0.448 216 L N 2.023 123.267 121.223 0.034 0.000 2.512 216 L HA 0.208 4.549 4.340 0.001 0.000 0.247 216 L C 1.409 178.342 176.870 0.104 0.000 1.204 216 L CA -0.151 54.723 54.840 0.056 0.000 1.153 216 L CB 0.056 42.141 42.059 0.042 0.000 1.415 216 L HN 0.125 nan 8.230 nan 0.000 0.406 217 K N 0.109 120.557 120.400 0.080 0.000 2.113 217 K HA -0.173 4.147 4.320 0.001 0.000 0.208 217 K C 1.591 178.251 176.600 0.099 0.000 1.047 217 K CA 1.230 57.565 56.287 0.080 0.000 0.928 217 K CB 0.115 32.650 32.500 0.059 0.000 0.716 217 K HN 0.348 nan 8.250 nan 0.000 0.446 218 K N -0.185 120.282 120.400 0.112 0.000 2.099 218 K HA -0.037 4.284 4.320 0.001 0.000 0.203 218 K C 2.088 178.784 176.600 0.160 0.000 1.047 218 K CA 0.961 57.313 56.287 0.108 0.000 0.963 218 K CB -0.595 31.949 32.500 0.074 0.000 0.759 218 K HN 0.124 nan 8.250 nan 0.000 0.451 219 Y N 2.879 123.229 120.300 0.083 0.000 2.070 219 Y HA -0.225 4.326 4.550 0.001 0.000 0.279 219 Y C 1.744 177.806 175.900 0.271 0.000 1.134 219 Y CA 1.978 60.168 58.100 0.150 0.000 1.113 219 Y CB -0.146 38.375 38.460 0.103 0.000 0.981 219 Y HN 0.078 nan 8.280 nan 0.000 0.487 220 D N -0.956 119.720 120.400 0.460 0.000 2.224 220 D HA -0.045 4.596 4.640 0.001 0.000 0.205 220 D C 2.292 178.781 176.300 0.315 0.000 0.965 220 D CA 1.133 55.358 54.000 0.376 0.000 0.852 220 D CB -0.752 40.174 40.800 0.210 0.000 0.947 220 D HN 0.511 nan 8.370 nan 0.000 0.494 221 G N 0.632 109.561 108.800 0.216 0.000 2.442 221 G HA2 -0.329 3.631 3.960 0.001 0.000 0.219 221 G HA3 -0.329 3.631 3.960 0.001 0.000 0.219 221 G C 1.794 176.785 174.900 0.152 0.000 1.141 221 G CA 0.718 45.901 45.100 0.138 0.000 0.763 221 G HN 0.194 nan 8.290 nan 0.000 0.554 222 R N -0.438 120.160 120.500 0.164 0.000 2.096 222 R HA 0.022 4.363 4.340 0.001 0.000 0.235 222 R C 2.219 178.594 176.300 0.124 0.000 1.127 222 R CA 1.157 57.310 56.100 0.088 0.000 0.968 222 R CB -0.558 29.731 30.300 -0.019 0.000 0.861 222 R HN 0.372 nan 8.270 nan 0.000 0.440 223 F N 0.704 120.731 119.950 0.129 0.000 2.102 223 F HA -0.119 4.408 4.527 0.001 0.000 0.298 223 F C 2.355 178.281 175.800 0.211 0.000 1.105 223 F CA 1.803 59.925 58.000 0.203 0.000 1.239 223 F CB -0.406 38.704 39.000 0.183 0.000 0.991 223 F HN 0.032 nan 8.300 nan 0.000 0.474 224 K N 0.279 120.874 120.400 0.325 0.000 2.063 224 K HA -0.199 4.121 4.320 0.001 0.000 0.208 224 K C 1.669 178.393 176.600 0.205 0.000 1.048 224 K CA 1.992 58.390 56.287 0.184 0.000 0.928 224 K CB -0.215 32.240 32.500 -0.076 0.000 0.713 224 K HN 0.131 nan 8.250 nan 0.000 0.442 225 D N 0.669 121.164 120.400 0.158 0.000 2.117 225 D HA -0.125 4.515 4.640 0.001 0.000 0.198 225 D C 1.981 178.374 176.300 0.155 0.000 0.982 225 D CA 1.057 55.135 54.000 0.131 0.000 0.828 225 D CB -0.100 40.749 40.800 0.083 0.000 0.967 225 D HN 0.305 nan 8.370 nan 0.000 0.464 226 I N 0.080 120.748 120.570 0.164 0.000 2.315 226 I HA -0.248 3.922 4.170 0.001 0.000 0.248 226 I C 2.120 178.330 176.117 0.156 0.000 1.117 226 I CA 0.661 62.032 61.300 0.118 0.000 1.404 226 I CB -0.143 37.892 38.000 0.058 0.000 1.071 226 I HN -0.128 nan 8.210 nan 0.000 0.419 227 F N 1.021 121.016 119.950 0.076 0.000 2.075 227 F HA -0.276 4.251 4.527 0.001 0.000 0.297 227 F C 2.778 178.695 175.800 0.195 0.000 1.113 227 F CA 1.842 59.899 58.000 0.095 0.000 1.218 227 F CB -0.738 38.291 39.000 0.048 0.000 0.984 227 F HN 0.027 nan 8.300 nan 0.000 0.472 228 Q N 0.623 120.678 119.800 0.424 0.000 2.096 228 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 228 Q C 2.125 178.259 176.000 0.224 0.000 0.982 228 Q CA 2.126 58.150 55.803 0.367 0.000 0.850 228 Q CB -0.457 28.450 28.738 0.283 0.000 0.901 228 Q HN 0.519 nan 8.270 nan 0.000 0.422 229 E N -0.618 119.668 120.200 0.143 0.000 2.038 229 E HA -0.180 4.170 4.350 0.001 0.000 0.195 229 E C 1.901 178.500 176.600 -0.003 0.000 1.000 229 E CA 1.470 57.906 56.400 0.060 0.000 0.803 229 E CB -0.204 29.523 29.700 0.045 0.000 0.750 229 E HN 0.490 nan 8.360 nan 0.000 0.448 230 I N 0.221 120.777 120.570 -0.024 0.000 2.394 230 I HA -0.235 3.936 4.170 0.001 0.000 0.251 230 I C 2.221 178.204 176.117 -0.223 0.000 1.136 230 I CA 0.667 61.897 61.300 -0.116 0.000 1.425 230 I CB -0.248 37.648 38.000 -0.174 0.000 1.079 230 I HN 0.256 nan 8.210 nan 0.000 0.425 231 Y N 2.103 122.138 120.300 -0.442 0.000 2.109 231 Y HA -0.279 4.271 4.550 0.001 0.000 0.285 231 Y C 2.247 177.946 175.900 -0.335 0.000 1.131 231 Y CA 1.661 59.346 58.100 -0.693 0.000 1.121 231 Y CB -0.435 37.701 38.460 -0.540 0.000 0.987 231 Y HN 0.156 nan 8.280 nan 0.000 0.495 232 D N 0.156 120.433 120.400 -0.204 0.000 2.149 232 D HA -0.175 4.466 4.640 0.001 0.000 0.198 232 D C 1.832 177.986 176.300 -0.243 0.000 0.990 232 D CA 1.761 55.621 54.000 -0.233 0.000 0.839 232 D CB -0.146 40.624 40.800 -0.051 0.000 0.948 232 D HN 0.461 nan 8.370 nan 0.000 0.460 233 K N -0.282 119.996 120.400 -0.204 0.000 2.361 233 K HA 0.085 4.406 4.320 0.001 0.000 0.196 233 K C 1.622 178.068 176.600 -0.256 0.000 1.039 233 K CA 0.482 56.658 56.287 -0.186 0.000 1.001 233 K CB 0.410 32.836 32.500 -0.122 0.000 0.795 233 K HN 0.131 nan 8.250 nan 0.000 0.495 234 Q N -1.874 117.698 119.800 -0.380 0.000 2.171 234 Q HA 0.135 4.476 4.340 0.001 0.000 0.250 234 Q C 0.352 175.869 176.000 -0.804 0.000 0.791 234 Q CA 0.115 55.574 55.803 -0.574 0.000 0.950 234 Q CB 0.742 29.076 28.738 -0.673 0.000 1.151 234 Q HN 0.229 nan 8.270 nan 0.000 0.480 235 Y N -0.184 119.864 120.300 -0.420 0.000 2.494 235 Y HA 0.227 4.777 4.550 0.001 0.000 0.271 235 Y C 1.921 177.560 175.900 -0.434 0.000 1.113 235 Y CA -0.295 57.593 58.100 -0.353 0.000 1.240 235 Y CB 0.506 38.695 38.460 -0.451 0.000 1.268 235 Y HN -0.140 nan 8.280 nan 0.000 0.510 236 K N 1.185 121.089 120.400 -0.827 0.000 2.077 236 K HA -0.264 4.056 4.320 0.001 0.000 0.213 236 K C 2.117 178.605 176.600 -0.186 0.000 1.051 236 K CA 2.444 58.204 56.287 -0.878 0.000 0.929 236 K CB -0.171 31.817 32.500 -0.854 0.000 0.715 236 K HN 0.396 nan 8.250 nan 0.000 0.451 237 S N 0.325 115.946 115.700 -0.133 0.000 2.382 237 S HA -0.197 4.273 4.470 0.001 0.000 0.228 237 S C 1.937 176.581 174.600 0.074 0.000 1.027 237 S CA 1.177 59.367 58.200 -0.018 0.000 0.991 237 S CB -0.387 62.783 63.200 -0.049 0.000 0.823 237 S HN 0.447 nan 8.310 nan 0.000 0.469 238 Q N -0.169 119.701 119.800 0.116 0.000 2.119 238 Q HA 0.009 4.350 4.340 0.001 0.000 0.201 238 Q C 1.776 177.922 176.000 0.243 0.000 0.972 238 Q CA 1.242 57.149 55.803 0.173 0.000 0.847 238 Q CB -0.364 28.507 28.738 0.222 0.000 0.903 238 Q HN 0.548 nan 8.270 nan 0.000 0.433 239 F N 1.627 121.645 119.950 0.114 0.000 2.113 239 F HA -0.139 4.389 4.527 0.001 0.000 0.297 239 F C 2.104 178.001 175.800 0.162 0.000 1.103 239 F CA 1.287 59.394 58.000 0.178 0.000 1.248 239 F CB -0.220 38.976 39.000 0.326 0.000 0.999 239 F HN 0.072 nan 8.300 nan 0.000 0.475 240 E N -0.145 120.254 120.200 0.332 0.000 2.118 240 E HA -0.216 4.135 4.350 0.001 0.000 0.195 240 E C 2.374 179.066 176.600 0.154 0.000 0.992 240 E CA 1.014 57.552 56.400 0.229 0.000 0.804 240 E CB -0.396 29.402 29.700 0.164 0.000 0.741 240 E HN 0.376 nan 8.360 nan 0.000 0.458 241 A N 1.351 124.243 122.820 0.119 0.000 1.908 241 A HA -0.226 4.094 4.320 0.001 0.000 0.218 241 A C 1.925 179.549 177.584 0.067 0.000 1.181 241 A CA 1.344 53.427 52.037 0.077 0.000 0.627 241 A CB -0.303 18.731 19.000 0.056 0.000 0.818 241 A HN 0.179 nan 8.150 nan 0.000 0.445 242 Q N -1.085 118.749 119.800 0.057 0.000 2.280 242 Q HA 0.116 4.457 4.340 0.001 0.000 0.202 242 Q C -0.506 175.536 176.000 0.070 0.000 0.903 242 Q CA 0.047 55.867 55.803 0.028 0.000 0.948 242 Q CB 0.144 28.854 28.738 -0.047 0.000 1.058 242 Q HN 0.617 nan 8.270 nan 0.000 0.493 243 K N 0.326 120.804 120.400 0.130 0.000 3.088 243 K HA -0.209 4.112 4.320 0.001 0.000 0.273 243 K C 0.151 176.924 176.600 0.289 0.000 1.111 243 K CA 0.716 57.124 56.287 0.202 0.000 0.803 243 K CB -2.089 30.513 32.500 0.170 0.000 1.226 243 K HN 0.441 nan 8.250 nan 0.000 0.485 244 I N -3.001 117.707 120.570 0.229 0.000 3.474 244 I HA 0.816 4.987 4.170 0.001 0.000 0.294 244 I C 0.205 176.635 176.117 0.521 0.000 1.185 244 I CA -0.961 60.421 61.300 0.136 0.000 1.003 244 I CB 0.952 38.832 38.000 -0.200 0.000 1.327 244 I HN 0.133 nan 8.210 nan 0.000 0.541 245 W N 0.182 121.734 121.300 0.420 0.000 2.959 245 W HA 0.656 5.316 4.660 0.001 0.000 0.358 245 W C -2.345 174.370 176.519 0.326 0.000 1.228 245 W CA -1.202 56.412 57.345 0.448 0.000 1.183 245 W CB 0.383 29.954 29.460 0.185 0.000 1.467 245 W HN 0.633 nan 8.180 nan 0.000 0.578 246 Y N 1.407 121.767 120.300 0.100 0.000 2.391 246 Y HA 0.691 5.242 4.550 0.001 0.000 0.341 246 Y C -0.920 174.917 175.900 -0.105 0.000 0.965 246 Y CA -1.273 56.666 58.100 -0.268 0.000 1.067 246 Y CB 1.835 39.737 38.460 -0.929 0.000 1.199 246 Y HN 0.645 nan 8.280 nan 0.000 0.450 247 E N 4.231 123.870 120.200 -0.935 0.000 2.366 247 E HA 0.162 4.512 4.350 0.001 0.000 0.278 247 E C -1.788 174.458 176.600 -0.590 0.000 0.923 247 E CA -1.079 54.931 56.400 -0.649 0.000 0.761 247 E CB 2.087 31.752 29.700 -0.058 0.000 1.231 247 E HN 0.653 nan 8.360 nan 0.000 0.443 248 H N 2.885 121.689 119.070 -0.442 0.000 2.458 248 H HA 0.499 5.056 4.556 0.001 0.000 0.330 248 H C -0.904 174.371 175.328 -0.088 0.000 1.111 248 H CA -0.150 55.783 56.048 -0.192 0.000 1.245 248 H CB 0.991 30.700 29.762 -0.089 0.000 1.456 248 H HN 0.504 nan 8.280 nan 0.000 0.488 249 R N 3.683 123.785 120.500 -0.662 0.000 2.771 249 R HA 0.363 4.704 4.340 0.001 0.000 0.274 249 R C -0.463 175.569 176.300 -0.447 0.000 0.987 249 R CA -1.020 54.850 56.100 -0.385 0.000 0.908 249 R CB 2.348 32.474 30.300 -0.290 0.000 1.213 249 R HN 0.468 nan 8.270 nan 0.000 0.468 250 L N 2.540 123.665 121.223 -0.164 0.000 2.426 250 L HA 0.058 4.399 4.340 0.001 0.000 0.271 250 L C 1.756 178.580 176.870 -0.078 0.000 1.169 250 L CA 0.019 54.820 54.840 -0.065 0.000 0.836 250 L CB 0.430 42.491 42.059 0.004 0.000 1.112 250 L HN 0.677 nan 8.230 nan 0.000 0.465 251 I N 1.754 122.312 120.570 -0.021 0.000 2.315 251 I HA -0.304 3.866 4.170 0.001 0.000 0.251 251 I C 1.592 177.722 176.117 0.022 0.000 1.125 251 I CA 1.819 63.139 61.300 0.034 0.000 1.392 251 I CB -0.272 37.772 38.000 0.074 0.000 1.065 251 I HN 0.716 nan 8.210 nan 0.000 0.424 252 D N 0.127 120.527 120.400 0.001 0.000 2.087 252 D HA -0.240 4.401 4.640 0.001 0.000 0.192 252 D C 1.929 178.205 176.300 -0.041 0.000 0.993 252 D CA 1.733 55.729 54.000 -0.006 0.000 0.828 252 D CB -0.521 40.274 40.800 -0.009 0.000 0.968 252 D HN 0.460 nan 8.370 nan 0.000 0.448 253 D N -0.531 119.826 120.400 -0.071 0.000 2.104 253 D HA -0.188 4.452 4.640 0.001 0.000 0.194 253 D C 1.885 178.073 176.300 -0.187 0.000 0.994 253 D CA 0.908 54.839 54.000 -0.116 0.000 0.830 253 D CB -0.156 40.572 40.800 -0.121 0.000 0.959 253 D HN -0.002 nan 8.370 nan 0.000 0.452 254 M N 0.267 119.734 119.600 -0.221 0.000 2.065 254 M HA -0.133 4.348 4.480 0.001 0.000 0.259 254 M C 2.256 178.333 176.300 -0.371 0.000 1.069 254 M CA 1.867 56.937 55.300 -0.384 0.000 1.110 254 M CB -0.736 31.655 32.600 -0.347 0.000 1.328 254 M HN 0.121 nan 8.290 nan 0.000 0.405 255 V N -1.443 118.398 119.914 -0.120 0.000 2.594 255 V HA -0.062 4.058 4.120 0.001 0.000 0.253 255 V C 2.232 178.315 176.094 -0.019 0.000 1.069 255 V CA 1.654 63.959 62.300 0.010 0.000 1.082 255 V CB -2.241 29.675 31.823 0.155 0.000 0.680 255 V HN 0.485 nan 8.190 nan 0.000 0.469 256 A N -0.536 122.247 122.820 -0.062 0.000 1.898 256 A HA -0.076 4.244 4.320 0.001 0.000 0.214 256 A C 2.251 179.785 177.584 -0.083 0.000 1.183 256 A CA 1.345 53.353 52.037 -0.049 0.000 0.622 256 A CB -0.512 18.455 19.000 -0.055 0.000 0.824 256 A HN 0.534 nan 8.150 nan 0.000 0.444 257 Q N -0.207 119.485 119.800 -0.181 0.000 2.084 257 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 257 Q C 2.433 178.313 176.000 -0.200 0.000 0.978 257 Q CA 1.669 57.328 55.803 -0.239 0.000 0.844 257 Q CB -0.724 27.763 28.738 -0.418 0.000 0.898 257 Q HN 0.643 nan 8.270 nan 0.000 0.426 258 A N 0.839 123.517 122.820 -0.236 0.000 1.902 258 A HA -0.218 4.102 4.320 0.001 0.000 0.217 258 A C 2.147 179.913 177.584 0.303 0.000 1.181 258 A CA 1.896 53.907 52.037 -0.043 0.000 0.623 258 A CB -0.520 18.393 19.000 -0.146 0.000 0.818 258 A HN 0.355 nan 8.150 nan 0.000 0.443 259 M N 0.806 120.563 119.600 0.263 0.000 2.149 259 M HA -0.166 4.315 4.480 0.001 0.000 0.261 259 M C 1.781 178.200 176.300 0.197 0.000 1.064 259 M CA 2.445 57.922 55.300 0.296 0.000 1.102 259 M CB -0.363 32.305 32.600 0.113 0.000 1.369 259 M HN 0.517 nan 8.290 nan 0.000 0.408 260 K N -0.639 119.836 120.400 0.124 0.000 2.374 260 K HA 0.200 4.521 4.320 0.001 0.000 0.196 260 K C 0.539 177.208 176.600 0.116 0.000 1.023 260 K CA 0.385 56.713 56.287 0.068 0.000 1.103 260 K CB -0.273 32.230 32.500 0.006 0.000 0.848 260 K HN 0.376 nan 8.250 nan 0.000 0.528 261 S N 1.509 117.332 115.700 0.204 0.000 2.640 261 S HA 0.005 4.476 4.470 0.001 0.000 0.262 261 S C 0.705 175.478 174.600 0.288 0.000 1.232 261 S CA -0.329 57.986 58.200 0.191 0.000 0.988 261 S CB 0.871 64.179 63.200 0.179 0.000 1.034 261 S HN 0.473 nan 8.310 nan 0.000 0.569 262 E N -0.721 119.603 120.200 0.207 0.000 2.558 262 E HA 0.482 4.832 4.350 0.001 0.000 0.205 262 E C 0.905 177.568 176.600 0.104 0.000 1.006 262 E CA -0.380 56.132 56.400 0.186 0.000 0.961 262 E CB -0.565 29.196 29.700 0.102 0.000 1.044 262 E HN 1.144 nan 8.360 nan 0.000 0.465 263 G N 0.647 109.476 108.800 0.048 0.000 2.693 263 G HA2 0.002 3.963 3.960 0.001 0.000 0.226 263 G HA3 0.002 3.963 3.960 0.001 0.000 0.226 263 G C 0.632 175.362 174.900 -0.283 0.000 1.354 263 G CA -0.184 44.766 45.100 -0.250 0.000 0.873 263 G HN 1.216 nan 8.290 nan 0.000 0.562 264 G N -2.273 106.100 108.800 -0.711 0.000 2.325 264 G HA2 0.436 4.396 3.960 0.001 0.000 0.248 264 G HA3 0.436 4.396 3.960 0.001 0.000 0.248 264 G C 0.084 174.517 174.900 -0.778 0.000 1.108 264 G CA 0.970 45.371 45.100 -1.166 0.000 0.881 264 G HN 2.451 nan 8.290 nan 0.000 0.494 265 F N -1.996 117.709 119.950 -0.409 0.000 2.741 265 F HA 0.801 5.329 4.527 0.001 0.000 0.311 265 F C -0.782 175.174 175.800 0.260 0.000 1.149 265 F CA -2.490 55.526 58.000 0.028 0.000 0.930 265 F CB 0.775 39.831 39.000 0.094 0.000 1.312 265 F HN 0.018 nan 8.300 nan 0.000 0.450 266 I N 2.060 122.961 120.570 0.553 0.000 2.385 266 I HA 0.159 4.330 4.170 0.001 0.000 0.294 266 I C -1.195 175.314 176.117 0.654 0.000 0.988 266 I CA -0.437 61.149 61.300 0.475 0.000 1.265 266 I CB 1.291 39.492 38.000 0.335 0.000 1.388 266 I HN 0.801 nan 8.210 nan 0.000 0.480 267 W N 7.229 128.750 121.300 0.369 0.000 2.391 267 W HA 0.656 5.317 4.660 0.001 0.000 0.312 267 W C -0.597 176.059 176.519 0.228 0.000 1.003 267 W CA -1.811 55.741 57.345 0.346 0.000 1.375 267 W CB 1.219 30.887 29.460 0.347 0.000 1.253 267 W HN 0.570 nan 8.180 nan 0.000 0.416 268 A N 4.866 128.005 122.820 0.532 0.000 2.404 268 A HA 0.537 4.858 4.320 0.001 0.000 0.273 268 A C -0.487 177.292 177.584 0.325 0.000 1.144 268 A CA 0.148 52.377 52.037 0.319 0.000 0.806 268 A CB -0.094 18.927 19.000 0.037 0.000 1.080 268 A HN 0.558 nan 8.150 nan 0.000 0.509 269 C N 2.974 122.421 119.300 0.246 0.000 2.507 269 C HA 0.466 4.926 4.460 0.001 0.000 0.319 269 C C 0.651 175.675 174.990 0.057 0.000 1.208 269 C CA -0.902 58.130 59.018 0.022 0.000 1.619 269 C CB 1.425 28.951 27.740 -0.357 0.000 2.230 269 C HN 0.955 nan 8.230 nan 0.000 0.492 270 K N 1.710 122.106 120.400 -0.007 0.000 2.276 270 K HA 0.022 4.342 4.320 0.001 0.000 0.259 270 K C 1.275 177.808 176.600 -0.111 0.000 1.001 270 K CA -0.151 56.083 56.287 -0.088 0.000 0.927 270 K CB 0.414 32.804 32.500 -0.183 0.000 0.969 270 K HN 0.604 nan 8.250 nan 0.000 0.490 271 N N 1.165 119.793 118.700 -0.119 0.000 2.064 271 N HA -0.284 4.457 4.740 0.001 0.000 0.200 271 N C 1.686 177.143 175.510 -0.089 0.000 1.028 271 N CA 1.919 54.852 53.050 -0.193 0.000 0.880 271 N CB -0.376 38.011 38.487 -0.168 0.000 1.062 271 N HN 0.565 nan 8.380 nan 0.000 0.454 272 Y N 1.913 122.244 120.300 0.052 0.000 2.114 272 Y HA -0.178 4.372 4.550 0.001 0.000 0.284 272 Y C 2.127 178.013 175.900 -0.023 0.000 1.143 272 Y CA 1.983 60.156 58.100 0.122 0.000 1.135 272 Y CB -0.601 37.901 38.460 0.070 0.000 0.980 272 Y HN 0.142 nan 8.280 nan 0.000 0.499 273 D N -0.579 119.764 120.400 -0.095 0.000 2.123 273 D HA -0.167 4.474 4.640 0.001 0.000 0.196 273 D C 2.323 178.413 176.300 -0.350 0.000 0.992 273 D CA 1.558 55.427 54.000 -0.218 0.000 0.833 273 D CB -0.815 39.929 40.800 -0.093 0.000 0.954 273 D HN 0.548 nan 8.370 nan 0.000 0.455 274 G N 0.748 109.352 108.800 -0.325 0.000 2.432 274 G HA2 -0.281 3.680 3.960 0.001 0.000 0.219 274 G HA3 -0.281 3.680 3.960 0.001 0.000 0.219 274 G C 1.437 176.138 174.900 -0.332 0.000 1.135 274 G CA 0.930 45.809 45.100 -0.369 0.000 0.767 274 G HN 0.180 nan 8.290 nan 0.000 0.550 275 D N 0.317 120.522 120.400 -0.324 0.000 2.078 275 D HA -0.108 4.532 4.640 0.001 0.000 0.193 275 D C 2.687 178.822 176.300 -0.275 0.000 0.990 275 D CA 1.182 55.013 54.000 -0.283 0.000 0.827 275 D CB -0.395 40.271 40.800 -0.222 0.000 0.975 275 D HN 0.153 nan 8.370 nan 0.000 0.451 276 V N 0.803 120.486 119.914 -0.385 0.000 2.307 276 V HA -0.177 3.943 4.120 0.001 0.000 0.245 276 V C 2.523 178.494 176.094 -0.206 0.000 1.045 276 V CA 1.478 63.589 62.300 -0.315 0.000 1.024 276 V CB -0.572 30.989 31.823 -0.436 0.000 0.651 276 V HN 0.254 nan 8.190 nan 0.000 0.449 277 Q N 0.591 120.240 119.800 -0.251 0.000 2.224 277 Q HA -0.112 4.229 4.340 0.001 0.000 0.203 277 Q C 2.513 178.415 176.000 -0.163 0.000 0.970 277 Q CA 1.728 57.407 55.803 -0.208 0.000 0.865 277 Q CB -0.687 27.787 28.738 -0.440 0.000 0.922 277 Q HN 0.825 nan 8.270 nan 0.000 0.445 278 S N 0.562 116.144 115.700 -0.198 0.000 2.423 278 S HA -0.127 4.344 4.470 0.001 0.000 0.231 278 S C 1.278 175.857 174.600 -0.035 0.000 1.014 278 S CA 1.199 59.328 58.200 -0.118 0.000 0.965 278 S CB -0.050 63.067 63.200 -0.137 0.000 0.785 278 S HN 0.144 nan 8.310 nan 0.000 0.495 279 D N 1.404 121.779 120.400 -0.042 0.000 2.137 279 D HA 0.037 4.678 4.640 0.001 0.000 0.202 279 D C 2.142 178.468 176.300 0.043 0.000 0.970 279 D CA 1.188 55.188 54.000 -0.000 0.000 0.837 279 D CB -0.494 40.293 40.800 -0.021 0.000 0.981 279 D HN 0.424 nan 8.370 nan 0.000 0.475 280 S N -0.532 115.197 115.700 0.049 0.000 2.368 280 S HA -0.109 4.361 4.470 0.001 0.000 0.225 280 S C 2.038 176.763 174.600 0.208 0.000 1.030 280 S CA 0.872 59.136 58.200 0.107 0.000 0.999 280 S CB -0.242 63.027 63.200 0.115 0.000 0.844 280 S HN 0.034 nan 8.310 nan 0.000 0.459 281 V N 1.985 122.033 119.914 0.224 0.000 2.427 281 V HA -0.087 4.034 4.120 0.001 0.000 0.248 281 V C 2.817 179.148 176.094 0.395 0.000 1.051 281 V CA 1.659 64.161 62.300 0.338 0.000 1.048 281 V CB -1.257 30.666 31.823 0.168 0.000 0.666 281 V HN 0.600 nan 8.190 nan 0.000 0.456 282 A N -0.474 122.483 122.820 0.228 0.000 1.902 282 A HA -0.286 4.034 4.320 0.001 0.000 0.217 282 A C 2.169 179.869 177.584 0.194 0.000 1.181 282 A CA 2.114 54.267 52.037 0.194 0.000 0.623 282 A CB -0.519 18.537 19.000 0.093 0.000 0.818 282 A HN 0.521 nan 8.150 nan 0.000 0.443 283 Q N -0.061 119.825 119.800 0.143 0.000 2.167 283 Q HA 0.001 4.342 4.340 0.001 0.000 0.202 283 Q C 1.896 177.952 176.000 0.093 0.000 0.970 283 Q CA 1.859 57.715 55.803 0.089 0.000 0.855 283 Q CB -0.925 27.843 28.738 0.050 0.000 0.911 283 Q HN 0.507 nan 8.270 nan 0.000 0.438 284 G N -0.997 107.897 108.800 0.157 0.000 2.418 284 G HA2 -0.271 3.689 3.960 0.001 0.000 0.217 284 G HA3 -0.271 3.689 3.960 0.001 0.000 0.217 284 G C 0.917 175.814 174.900 -0.006 0.000 1.158 284 G CA 0.890 46.002 45.100 0.019 0.000 0.771 284 G HN 0.466 nan 8.290 nan 0.000 0.545 285 Y N 0.374 120.806 120.300 0.221 0.000 2.509 285 Y HA 0.251 4.801 4.550 0.001 0.000 0.293 285 Y C 2.322 178.256 175.900 0.058 0.000 1.133 285 Y CA 0.855 59.053 58.100 0.164 0.000 1.283 285 Y CB 0.539 39.102 38.460 0.172 0.000 1.001 285 Y HN 0.362 nan 8.280 nan 0.000 0.555 286 G N -1.979 106.920 108.800 0.164 0.000 4.205 286 G HA2 -0.018 3.943 3.960 0.001 0.000 0.200 286 G HA3 -0.018 3.943 3.960 0.001 0.000 0.200 286 G C -0.211 174.707 174.900 0.030 0.000 1.190 286 G CA 0.122 45.264 45.100 0.071 0.000 0.861 286 G HN 0.180 nan 8.290 nan 0.000 0.326 287 S N -0.840 114.881 115.700 0.036 0.000 2.537 287 S HA 0.533 5.004 4.470 0.001 0.000 0.271 287 S C 0.723 175.322 174.600 -0.002 0.000 1.148 287 S CA -0.349 57.846 58.200 -0.007 0.000 0.868 287 S CB 1.061 64.230 63.200 -0.051 0.000 1.115 287 S HN 0.472 nan 8.310 nan 0.000 0.461 288 L N 2.995 124.205 121.223 -0.020 0.000 2.353 288 L HA 0.080 4.420 4.340 0.001 0.000 0.220 288 L C 2.384 179.256 176.870 0.003 0.000 1.133 288 L CA 1.442 56.283 54.840 0.002 0.000 0.798 288 L CB -0.591 41.458 42.059 -0.016 0.000 0.922 288 L HN 0.891 nan 8.230 nan 0.000 0.445 289 G N -0.845 107.907 108.800 -0.080 0.000 2.744 289 G HA2 -0.048 3.913 3.960 0.001 0.000 0.211 289 G HA3 -0.048 3.913 3.960 0.001 0.000 0.211 289 G C 0.939 175.820 174.900 -0.032 0.000 1.143 289 G CA 0.010 45.063 45.100 -0.080 0.000 0.788 289 G HN 0.102 nan 8.290 nan 0.000 0.534 290 M N 0.830 120.402 119.600 -0.045 0.000 2.561 290 M HA 0.560 5.040 4.480 0.001 0.000 0.266 290 M C -0.543 175.704 176.300 -0.090 0.000 1.080 290 M CA -0.064 55.177 55.300 -0.098 0.000 0.993 290 M CB 0.342 32.890 32.600 -0.087 0.000 1.303 290 M HN 0.181 nan 8.290 nan 0.000 0.462 291 M N 1.592 121.142 119.600 -0.084 0.000 2.426 291 M HA 0.454 4.935 4.480 0.001 0.000 0.289 291 M C -1.114 175.167 176.300 -0.032 0.000 1.168 291 M CA -0.194 55.071 55.300 -0.059 0.000 0.933 291 M CB 2.413 35.009 32.600 -0.007 0.000 1.750 291 M HN 0.486 nan 8.290 nan 0.000 0.494 292 T N 0.223 114.772 114.554 -0.009 0.000 2.943 292 T HA 0.752 5.102 4.350 0.001 0.000 0.284 292 T C -0.469 174.258 174.700 0.046 0.000 1.015 292 T CA -0.747 61.389 62.100 0.060 0.000 1.042 292 T CB 1.658 70.597 68.868 0.118 0.000 1.055 292 T HN 0.624 nan 8.240 nan 0.000 0.500 293 S N 0.935 116.667 115.700 0.053 0.000 2.706 293 S HA 0.548 5.019 4.470 0.001 0.000 0.270 293 S C -1.479 173.139 174.600 0.031 0.000 1.163 293 S CA -0.671 57.544 58.200 0.025 0.000 1.042 293 S CB 0.522 63.709 63.200 -0.021 0.000 1.079 293 S HN 0.746 nan 8.310 nan 0.000 0.474 294 V N 5.365 125.314 119.914 0.057 0.000 2.525 294 V HA 0.526 4.646 4.120 0.001 0.000 0.299 294 V C -0.439 175.685 176.094 0.050 0.000 1.034 294 V CA -0.835 61.493 62.300 0.048 0.000 0.863 294 V CB 1.597 33.459 31.823 0.065 0.000 0.999 294 V HN 0.817 nan 8.190 nan 0.000 0.423 295 L N 6.831 128.049 121.223 -0.007 0.000 2.315 295 L HA 0.540 4.880 4.340 0.001 0.000 0.283 295 L C -0.336 176.533 176.870 -0.002 0.000 1.089 295 L CA 0.481 55.307 54.840 -0.023 0.000 0.833 295 L CB 1.154 43.180 42.059 -0.055 0.000 1.170 295 L HN 0.465 nan 8.230 nan 0.000 0.442 296 V N 5.650 125.600 119.914 0.059 0.000 2.328 296 V HA 0.292 4.412 4.120 0.001 0.000 0.278 296 V C 0.186 176.314 176.094 0.056 0.000 1.021 296 V CA -0.613 61.731 62.300 0.074 0.000 0.838 296 V CB 0.829 32.786 31.823 0.222 0.000 0.999 296 V HN 0.918 nan 8.190 nan 0.000 0.447 297 C N 6.672 125.981 119.300 0.014 0.000 2.520 297 C HA 0.267 4.728 4.460 0.001 0.000 0.376 297 C C -0.305 174.707 174.990 0.036 0.000 1.268 297 C CA -0.752 58.277 59.018 0.017 0.000 2.414 297 C CB 0.777 28.515 27.740 -0.004 0.000 2.521 297 C HN 0.684 nan 8.230 nan 0.000 0.618 298 P HA -0.140 nan 4.420 nan 0.000 0.215 298 P C 1.012 178.324 177.300 0.020 0.000 1.153 298 P CA 1.585 64.703 63.100 0.030 0.000 0.853 298 P CB -0.106 31.603 31.700 0.015 0.000 0.788 299 D N -0.959 119.449 120.400 0.013 0.000 2.389 299 D HA -0.076 4.564 4.640 0.001 0.000 0.221 299 D C 1.408 177.724 176.300 0.027 0.000 0.974 299 D CA 1.191 55.199 54.000 0.013 0.000 0.923 299 D CB -1.461 39.345 40.800 0.010 0.000 0.892 299 D HN 0.242 nan 8.370 nan 0.000 0.518 300 G N 0.514 109.337 108.800 0.039 0.000 2.187 300 G HA2 -0.425 3.535 3.960 0.001 0.000 0.261 300 G HA3 -0.425 3.535 3.960 0.001 0.000 0.261 300 G C 0.804 175.757 174.900 0.088 0.000 1.000 300 G CA 0.947 46.081 45.100 0.057 0.000 0.718 300 G HN 0.634 nan 8.290 nan 0.000 0.519 301 K N -1.455 118.997 120.400 0.088 0.000 2.485 301 K HA 0.167 4.487 4.320 0.001 0.000 0.200 301 K C 0.642 177.360 176.600 0.197 0.000 1.352 301 K CA 0.780 57.153 56.287 0.144 0.000 0.953 301 K CB 0.564 33.112 32.500 0.080 0.000 1.387 301 K HN 0.250 nan 8.250 nan 0.000 0.512 302 T N 1.527 116.122 114.554 0.069 0.000 2.845 302 T HA 0.457 4.807 4.350 0.001 0.000 0.288 302 T C -0.810 173.825 174.700 -0.109 0.000 0.980 302 T CA -0.461 61.649 62.100 0.016 0.000 1.071 302 T CB 1.966 70.835 68.868 0.002 0.000 0.941 302 T HN -0.079 nan 8.240 nan 0.000 0.487 303 V N 2.183 121.987 119.914 -0.183 0.000 2.971 303 V HA 0.536 4.657 4.120 0.001 0.000 0.309 303 V C -0.668 175.350 176.094 -0.127 0.000 1.130 303 V CA -0.890 61.259 62.300 -0.252 0.000 0.964 303 V CB 2.319 33.767 31.823 -0.624 0.000 1.029 303 V HN 0.911 nan 8.190 nan 0.000 0.427 304 E N 2.510 122.654 120.200 -0.094 0.000 2.244 304 E HA 0.711 5.062 4.350 0.001 0.000 0.260 304 E C -0.979 175.589 176.600 -0.053 0.000 0.884 304 E CA -0.527 55.833 56.400 -0.067 0.000 0.777 304 E CB 1.940 31.600 29.700 -0.067 0.000 1.197 304 E HN 0.893 nan 8.360 nan 0.000 0.416 305 A N 4.341 127.135 122.820 -0.043 0.000 2.306 305 A HA 0.669 4.990 4.320 0.001 0.000 0.314 305 A C -0.530 177.042 177.584 -0.020 0.000 1.164 305 A CA -0.400 51.627 52.037 -0.017 0.000 0.822 305 A CB 0.737 19.741 19.000 0.006 0.000 1.130 305 A HN 0.781 nan 8.150 nan 0.000 0.496 306 E N 0.141 120.339 120.200 -0.004 0.000 2.447 306 E HA 0.693 5.043 4.350 0.001 0.000 0.279 306 E C -0.721 175.874 176.600 -0.008 0.000 1.053 306 E CA -0.966 55.423 56.400 -0.017 0.000 0.840 306 E CB 1.383 31.034 29.700 -0.080 0.000 1.409 306 E HN 0.894 nan 8.360 nan 0.000 0.461 307 A N 0.113 122.892 122.820 -0.068 0.000 2.306 307 A HA 0.699 5.019 4.320 0.001 0.000 0.314 307 A C 0.592 178.035 177.584 -0.234 0.000 1.164 307 A CA -0.041 51.901 52.037 -0.159 0.000 0.822 307 A CB 1.016 19.816 19.000 -0.334 0.000 1.130 307 A HN 0.787 nan 8.150 nan 0.000 0.496 308 A N 1.305 124.018 122.820 -0.177 0.000 1.975 308 A HA 0.210 4.530 4.320 0.001 0.000 0.215 308 A C 1.093 178.603 177.584 -0.124 0.000 1.170 308 A CA 1.396 53.357 52.037 -0.127 0.000 0.656 308 A CB -0.989 17.976 19.000 -0.059 0.000 0.821 308 A HN 1.129 nan 8.150 nan 0.000 0.449 309 H N -1.540 117.511 119.070 -0.032 0.000 2.654 309 H HA 0.555 5.111 4.556 0.001 0.000 0.376 309 H C 0.840 176.141 175.328 -0.045 0.000 1.503 309 H CA -0.401 55.623 56.048 -0.040 0.000 1.464 309 H CB -0.151 29.586 29.762 -0.041 0.000 1.565 309 H HN 0.172 nan 8.280 nan 0.000 0.614 310 G N -1.691 107.229 108.800 0.200 0.000 2.583 310 G HA2 0.265 4.226 3.960 0.001 0.000 0.280 310 G HA3 0.265 4.226 3.960 0.001 0.000 0.280 310 G C 0.746 175.745 174.900 0.165 0.000 1.376 310 G CA -0.319 44.840 45.100 0.097 0.000 1.043 310 G HN 0.955 nan 8.290 nan 0.000 0.538 311 T N -2.460 112.118 114.554 0.040 0.000 3.163 311 T HA 0.024 4.374 4.350 0.001 0.000 0.260 311 T C 0.886 175.585 174.700 -0.002 0.000 1.156 311 T CA 0.581 62.682 62.100 0.003 0.000 1.072 311 T CB -0.537 68.291 68.868 -0.066 0.000 0.937 311 T HN 1.371 nan 8.240 nan 0.000 0.528 312 V N 1.332 121.239 119.914 -0.011 0.000 5.949 312 V HA -0.272 3.848 4.120 0.001 0.000 0.287 312 V C 1.643 177.737 176.094 -0.000 0.000 0.603 312 V CA 0.859 63.098 62.300 -0.101 0.000 0.608 312 V CB -3.424 28.257 31.823 -0.238 0.000 0.259 312 V HN 0.681 nan 8.190 nan 0.000 0.742 313 T N 0.322 114.907 114.554 0.052 0.000 2.665 313 T HA -0.251 4.100 4.350 0.001 0.000 0.268 313 T C 1.899 176.728 174.700 0.214 0.000 1.035 313 T CA 2.265 64.458 62.100 0.155 0.000 1.151 313 T CB -0.169 68.776 68.868 0.129 0.000 0.862 313 T HN 0.731 nan 8.240 nan 0.000 0.438 314 R N 0.202 120.789 120.500 0.146 0.000 2.117 314 R HA -0.128 4.213 4.340 0.001 0.000 0.243 314 R C 2.361 178.841 176.300 0.300 0.000 1.143 314 R CA 1.725 57.939 56.100 0.190 0.000 0.968 314 R CB -0.427 29.970 30.300 0.163 0.000 0.863 314 R HN 0.666 nan 8.270 nan 0.000 0.444 315 H N -2.060 117.077 119.070 0.111 0.000 2.436 315 H HA -0.098 4.459 4.556 0.001 0.000 0.294 315 H C 1.655 177.102 175.328 0.198 0.000 1.048 315 H CA 0.777 56.892 56.048 0.113 0.000 1.353 315 H CB 0.066 29.868 29.762 0.067 0.000 1.414 315 H HN 0.201 nan 8.280 nan 0.000 0.536 316 Y N 2.336 122.777 120.300 0.234 0.000 2.165 316 Y HA -0.219 4.331 4.550 0.001 0.000 0.286 316 Y C 2.252 178.313 175.900 0.267 0.000 1.155 316 Y CA 1.133 59.381 58.100 0.246 0.000 1.164 316 Y CB -0.049 38.521 38.460 0.184 0.000 0.978 316 Y HN -0.057 nan 8.280 nan 0.000 0.513 317 R N -0.093 120.502 120.500 0.159 0.000 2.105 317 R HA -0.183 4.157 4.340 0.001 0.000 0.239 317 R C 2.323 178.624 176.300 0.002 0.000 1.135 317 R CA 1.858 57.975 56.100 0.029 0.000 0.967 317 R CB -0.991 29.359 30.300 0.083 0.000 0.861 317 R HN 0.484 nan 8.270 nan 0.000 0.442 318 M N -0.791 118.852 119.600 0.071 0.000 2.086 318 M HA -0.189 4.292 4.480 0.001 0.000 0.261 318 M C 2.184 178.520 176.300 0.059 0.000 1.067 318 M CA 1.585 56.917 55.300 0.054 0.000 1.116 318 M CB -0.559 32.077 32.600 0.060 0.000 1.348 318 M HN 0.049 nan 8.290 nan 0.000 0.407 319 Y N 1.614 121.905 120.300 -0.015 0.000 2.165 319 Y HA -0.284 4.266 4.550 0.001 0.000 0.286 319 Y C 2.203 178.052 175.900 -0.084 0.000 1.155 319 Y CA 1.867 59.966 58.100 -0.001 0.000 1.164 319 Y CB -0.559 37.933 38.460 0.053 0.000 0.978 319 Y HN 0.266 nan 8.280 nan 0.000 0.513 320 Q N 0.146 119.732 119.800 -0.356 0.000 2.226 320 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 320 Q C 1.524 177.354 176.000 -0.283 0.000 0.975 320 Q CA 1.653 57.189 55.803 -0.444 0.000 0.866 320 Q CB -0.128 28.392 28.738 -0.363 0.000 0.915 320 Q HN 0.541 nan 8.270 nan 0.000 0.440 321 K N -0.829 119.464 120.400 -0.179 0.000 2.417 321 K HA 0.146 4.467 4.320 0.001 0.000 0.196 321 K C 0.715 177.253 176.600 -0.104 0.000 1.023 321 K CA 0.456 56.674 56.287 -0.115 0.000 1.122 321 K CB 0.794 33.256 32.500 -0.064 0.000 0.850 321 K HN 0.268 nan 8.250 nan 0.000 0.521 322 G N 1.787 110.501 108.800 -0.142 0.000 2.132 322 G HA2 -0.287 3.674 3.960 0.001 0.000 0.234 322 G HA3 -0.287 3.674 3.960 0.001 0.000 0.234 322 G C -0.328 174.562 174.900 -0.017 0.000 0.989 322 G CA -0.201 44.843 45.100 -0.092 0.000 0.676 322 G HN 0.351 nan 8.290 nan 0.000 0.522 323 Q N 0.166 119.969 119.800 0.006 0.000 2.243 323 Q HA 0.466 4.807 4.340 0.001 0.000 0.252 323 Q C 0.445 176.508 176.000 0.105 0.000 0.909 323 Q CA -0.461 55.369 55.803 0.045 0.000 0.922 323 Q CB 1.334 30.090 28.738 0.029 0.000 1.215 323 Q HN 0.525 nan 8.270 nan 0.000 0.427 324 E N 1.337 121.602 120.200 0.108 0.000 2.437 324 E HA 0.022 4.372 4.350 0.001 0.000 0.263 324 E C -0.778 175.897 176.600 0.125 0.000 1.030 324 E CA 0.251 56.743 56.400 0.154 0.000 0.934 324 E CB 0.623 30.402 29.700 0.133 0.000 0.943 324 E HN 0.633 nan 8.360 nan 0.000 0.444 325 T N 0.043 114.679 114.554 0.136 0.000 2.883 325 T HA 0.489 4.839 4.350 0.001 0.000 0.296 325 T C -0.591 174.111 174.700 0.004 0.000 1.117 325 T CA -0.983 61.135 62.100 0.030 0.000 1.006 325 T CB 1.746 70.644 68.868 0.050 0.000 1.191 325 T HN 0.208 nan 8.240 nan 0.000 0.508 326 S N 0.740 116.396 115.700 -0.072 0.000 2.496 326 S HA 0.534 5.004 4.470 0.001 0.000 0.221 326 S C -1.021 173.543 174.600 -0.060 0.000 1.260 326 S CA -0.505 57.657 58.200 -0.063 0.000 1.181 326 S CB 0.152 63.297 63.200 -0.092 0.000 1.136 326 S HN 0.852 nan 8.310 nan 0.000 0.467 327 T N 3.877 118.416 114.554 -0.025 0.000 2.797 327 T HA 0.369 4.719 4.350 0.001 0.000 0.279 327 T C -0.087 174.560 174.700 -0.088 0.000 0.991 327 T CA -0.667 61.441 62.100 0.014 0.000 0.979 327 T CB 0.952 69.853 68.868 0.055 0.000 0.943 327 T HN 0.512 nan 8.240 nan 0.000 0.444 328 N N 4.396 123.017 118.700 -0.133 0.000 2.431 328 N HA 0.110 4.851 4.740 0.001 0.000 0.265 328 N C -1.407 174.077 175.510 -0.043 0.000 1.184 328 N CA -1.777 51.180 53.050 -0.156 0.000 0.943 328 N CB 1.152 39.533 38.487 -0.176 0.000 1.080 328 N HN 0.337 nan 8.380 nan 0.000 0.477 329 P HA 0.050 nan 4.420 nan 0.000 0.261 329 P C 1.425 178.851 177.300 0.209 0.000 1.268 329 P CA -0.044 63.154 63.100 0.164 0.000 0.833 329 P CB 0.611 32.434 31.700 0.204 0.000 1.231 330 I N 1.420 122.092 120.570 0.170 0.000 2.151 330 I HA -0.225 3.946 4.170 0.001 0.000 0.243 330 I C 2.521 178.725 176.117 0.144 0.000 1.080 330 I CA 1.546 62.935 61.300 0.148 0.000 1.339 330 I CB -1.895 36.100 38.000 -0.008 0.000 1.039 330 I HN -0.034 nan 8.210 nan 0.000 0.409 331 A N 0.264 123.163 122.820 0.131 0.000 1.908 331 A HA -0.190 4.130 4.320 0.001 0.000 0.218 331 A C 2.586 180.329 177.584 0.265 0.000 1.181 331 A CA 2.186 54.323 52.037 0.166 0.000 0.627 331 A CB -0.831 18.307 19.000 0.229 0.000 0.818 331 A HN 0.442 nan 8.150 nan 0.000 0.445 332 S N -0.270 115.623 115.700 0.323 0.000 2.382 332 S HA -0.107 4.363 4.470 0.001 0.000 0.228 332 S C 1.781 176.632 174.600 0.418 0.000 1.027 332 S CA 1.484 59.925 58.200 0.403 0.000 0.991 332 S CB -0.460 62.999 63.200 0.432 0.000 0.823 332 S HN 0.553 nan 8.310 nan 0.000 0.469 333 I N 0.052 120.833 120.570 0.352 0.000 2.286 333 I HA -0.118 4.053 4.170 0.001 0.000 0.245 333 I C 1.578 177.924 176.117 0.381 0.000 1.104 333 I CA 1.111 62.600 61.300 0.315 0.000 1.397 333 I CB -0.286 37.880 38.000 0.277 0.000 1.072 333 I HN 0.199 nan 8.210 nan 0.000 0.417 334 F N 1.063 121.094 119.950 0.135 0.000 2.641 334 F HA -0.039 4.488 4.527 0.001 0.000 0.298 334 F C 2.367 178.237 175.800 0.116 0.000 1.146 334 F CA 0.653 58.714 58.000 0.101 0.000 1.464 334 F CB -0.823 38.217 39.000 0.067 0.000 1.101 334 F HN -0.000 nan 8.300 nan 0.000 0.585 335 A N -1.169 121.838 122.820 0.311 0.000 1.929 335 A HA -0.137 4.183 4.320 0.001 0.000 0.216 335 A C 1.951 179.599 177.584 0.106 0.000 1.176 335 A CA 1.036 53.184 52.037 0.186 0.000 0.628 335 A CB -1.073 18.057 19.000 0.216 0.000 0.816 335 A HN 0.459 nan 8.150 nan 0.000 0.444 336 W N 0.793 122.119 121.300 0.044 0.000 2.407 336 W HA -0.101 4.559 4.660 0.001 0.000 0.305 336 W C 2.933 179.451 176.519 -0.002 0.000 1.196 336 W CA 2.258 59.601 57.345 -0.004 0.000 1.311 336 W CB -0.822 28.578 29.460 -0.100 0.000 1.135 336 W HN 0.459 nan 8.180 nan 0.000 0.514 337 T N -0.958 113.688 114.554 0.152 0.000 2.684 337 T HA -0.221 4.129 4.350 0.001 0.000 0.267 337 T C 1.841 176.538 174.700 -0.005 0.000 1.036 337 T CA 1.414 63.495 62.100 -0.032 0.000 1.148 337 T CB -0.461 68.195 68.868 -0.352 0.000 0.863 337 T HN -0.123 nan 8.240 nan 0.000 0.436 338 R N 1.572 122.077 120.500 0.009 0.000 2.096 338 R HA 0.179 4.519 4.340 0.001 0.000 0.235 338 R C 2.820 179.165 176.300 0.076 0.000 1.127 338 R CA 1.474 57.598 56.100 0.040 0.000 0.968 338 R CB -1.363 28.977 30.300 0.067 0.000 0.861 338 R HN 0.624 nan 8.270 nan 0.000 0.440 339 G N -0.110 108.736 108.800 0.078 0.000 2.404 339 G HA2 -0.193 3.767 3.960 0.001 0.000 0.215 339 G HA3 -0.193 3.767 3.960 0.001 0.000 0.215 339 G C 1.389 176.371 174.900 0.136 0.000 1.174 339 G CA 0.469 45.619 45.100 0.082 0.000 0.780 339 G HN 0.236 nan 8.290 nan 0.000 0.537 340 L N 0.717 122.034 121.223 0.158 0.000 2.083 340 L HA -0.055 4.285 4.340 0.001 0.000 0.209 340 L C 3.394 180.349 176.870 0.141 0.000 1.083 340 L CA 0.873 55.822 54.840 0.182 0.000 0.752 340 L CB -0.364 41.853 42.059 0.263 0.000 0.899 340 L HN 0.321 nan 8.230 nan 0.000 0.433 341 A N -0.565 122.323 122.820 0.113 0.000 1.933 341 A HA -0.299 4.022 4.320 0.001 0.000 0.218 341 A C 2.086 179.724 177.584 0.090 0.000 1.175 341 A CA 1.973 54.057 52.037 0.079 0.000 0.628 341 A CB -0.750 18.275 19.000 0.041 0.000 0.814 341 A HN 0.505 nan 8.150 nan 0.000 0.444 342 H N -0.738 118.354 119.070 0.036 0.000 2.395 342 H HA -0.029 4.528 4.556 0.001 0.000 0.299 342 H C 2.181 177.533 175.328 0.040 0.000 1.070 342 H CA 1.753 57.820 56.048 0.031 0.000 1.356 342 H CB -0.034 29.746 29.762 0.029 0.000 1.401 342 H HN 0.382 nan 8.280 nan 0.000 0.524 343 R N 0.710 121.243 120.500 0.056 0.000 2.083 343 R HA -0.063 4.278 4.340 0.001 0.000 0.237 343 R C 2.382 178.667 176.300 -0.025 0.000 1.137 343 R CA 1.699 57.812 56.100 0.021 0.000 0.951 343 R CB -1.034 29.319 30.300 0.089 0.000 0.851 343 R HN 0.376 nan 8.270 nan 0.000 0.434 344 A N 0.931 123.757 122.820 0.010 0.000 1.917 344 A HA -0.256 4.065 4.320 0.001 0.000 0.219 344 A C 2.167 179.730 177.584 -0.034 0.000 1.182 344 A CA 2.010 54.053 52.037 0.010 0.000 0.633 344 A CB -0.707 18.320 19.000 0.046 0.000 0.819 344 A HN 0.484 nan 8.150 nan 0.000 0.448 345 K N -0.347 120.004 120.400 -0.083 0.000 2.097 345 K HA -0.051 4.270 4.320 0.001 0.000 0.206 345 K C 1.853 178.371 176.600 -0.136 0.000 1.049 345 K CA 1.341 57.562 56.287 -0.110 0.000 0.933 345 K CB -0.295 32.120 32.500 -0.141 0.000 0.717 345 K HN 0.492 nan 8.250 nan 0.000 0.442 346 L N 0.770 121.870 121.223 -0.205 0.000 2.141 346 L HA -0.143 4.197 4.340 0.001 0.000 0.209 346 L C 1.088 177.919 176.870 -0.065 0.000 1.094 346 L CA 0.986 55.737 54.840 -0.150 0.000 0.763 346 L CB -0.145 41.816 42.059 -0.163 0.000 0.908 346 L HN 0.194 nan 8.230 nan 0.000 0.437 347 D N -0.942 119.431 120.400 -0.045 0.000 2.369 347 D HA -0.018 4.623 4.640 0.001 0.000 0.211 347 D C 0.184 176.477 176.300 -0.011 0.000 1.077 347 D CA 0.024 54.014 54.000 -0.016 0.000 0.842 347 D CB -0.144 40.657 40.800 0.001 0.000 0.947 347 D HN 0.250 nan 8.370 nan 0.000 0.509 348 N N 1.583 120.272 118.700 -0.018 0.000 2.708 348 N HA -0.204 4.537 4.740 0.001 0.000 0.255 348 N C -0.800 174.712 175.510 0.003 0.000 1.046 348 N CA 0.008 53.053 53.050 -0.008 0.000 0.715 348 N CB -0.858 37.625 38.487 -0.007 0.000 0.895 348 N HN 0.015 nan 8.380 nan 0.000 0.545 349 N N 1.588 120.294 118.700 0.010 0.000 2.621 349 N HA 0.142 4.882 4.740 0.001 0.000 0.237 349 N C 0.755 176.291 175.510 0.043 0.000 0.997 349 N CA -0.517 52.547 53.050 0.025 0.000 0.918 349 N CB 0.935 39.440 38.487 0.030 0.000 1.122 349 N HN 0.224 nan 8.380 nan 0.000 0.510 350 K N 2.196 122.620 120.400 0.040 0.000 2.057 350 K HA -0.105 4.215 4.320 0.001 0.000 0.207 350 K C 1.075 177.737 176.600 0.103 0.000 1.049 350 K CA 1.310 57.634 56.287 0.061 0.000 0.931 350 K CB 0.191 32.712 32.500 0.036 0.000 0.714 350 K HN 0.631 nan 8.250 nan 0.000 0.440 351 E N 0.827 121.072 120.200 0.076 0.000 2.077 351 E HA -0.184 4.167 4.350 0.001 0.000 0.193 351 E C 2.078 178.791 176.600 0.188 0.000 0.989 351 E CA 0.779 57.239 56.400 0.101 0.000 0.800 351 E CB -0.217 29.507 29.700 0.040 0.000 0.746 351 E HN 0.051 nan 8.360 nan 0.000 0.452 352 L N 1.124 122.433 121.223 0.144 0.000 2.056 352 L HA -0.071 4.270 4.340 0.001 0.000 0.207 352 L C 2.273 179.279 176.870 0.227 0.000 1.078 352 L CA 1.852 56.800 54.840 0.180 0.000 0.749 352 L CB -0.586 41.542 42.059 0.115 0.000 0.901 352 L HN 0.025 nan 8.230 nan 0.000 0.433 353 A N -1.030 121.886 122.820 0.161 0.000 1.933 353 A HA -0.274 4.046 4.320 0.001 0.000 0.218 353 A C 2.287 179.942 177.584 0.119 0.000 1.175 353 A CA 1.889 53.995 52.037 0.115 0.000 0.628 353 A CB -1.169 17.880 19.000 0.081 0.000 0.814 353 A HN 0.551 nan 8.150 nan 0.000 0.444 354 F N -0.688 119.292 119.950 0.050 0.000 2.146 354 F HA -0.124 4.404 4.527 0.001 0.000 0.298 354 F C 1.905 177.721 175.800 0.027 0.000 1.096 354 F CA 1.904 59.920 58.000 0.028 0.000 1.275 354 F CB -0.361 38.660 39.000 0.034 0.000 1.008 354 F HN 0.302 nan 8.300 nan 0.000 0.480 355 F N 1.002 121.040 119.950 0.146 0.000 2.102 355 F HA -0.137 4.390 4.527 0.001 0.000 0.298 355 F C 2.305 178.042 175.800 -0.104 0.000 1.105 355 F CA 1.674 59.691 58.000 0.029 0.000 1.239 355 F CB -1.072 37.969 39.000 0.069 0.000 0.991 355 F HN 0.000 nan 8.300 nan 0.000 0.474 356 A N 0.563 123.324 122.820 -0.097 0.000 1.883 356 A HA -0.299 4.021 4.320 0.001 0.000 0.217 356 A C 2.313 179.667 177.584 -0.383 0.000 1.186 356 A CA 1.995 53.890 52.037 -0.237 0.000 0.624 356 A CB -1.379 17.602 19.000 -0.032 0.000 0.822 356 A HN 0.635 nan 8.150 nan 0.000 0.444 357 N N 0.301 118.804 118.700 -0.328 0.000 2.188 357 N HA -0.118 4.622 4.740 0.001 0.000 0.184 357 N C 1.939 177.188 175.510 -0.435 0.000 1.018 357 N CA 1.462 54.301 53.050 -0.352 0.000 0.858 357 N CB -0.258 38.047 38.487 -0.303 0.000 0.989 357 N HN 0.363 nan 8.380 nan 0.000 0.426 358 A N 1.512 123.996 122.820 -0.560 0.000 1.883 358 A HA -0.147 4.173 4.320 0.001 0.000 0.217 358 A C 2.186 179.499 177.584 -0.452 0.000 1.186 358 A CA 1.114 52.834 52.037 -0.528 0.000 0.624 358 A CB -0.834 17.841 19.000 -0.541 0.000 0.822 358 A HN 0.377 nan 8.150 nan 0.000 0.444 359 L N 0.025 120.892 121.223 -0.593 0.000 2.093 359 L HA -0.109 4.231 4.340 0.001 0.000 0.208 359 L C 2.082 178.734 176.870 -0.364 0.000 1.085 359 L CA 2.252 56.784 54.840 -0.514 0.000 0.755 359 L CB -0.762 40.890 42.059 -0.678 0.000 0.904 359 L HN 0.528 nan 8.230 nan 0.000 0.435 360 E N -0.318 119.615 120.200 -0.444 0.000 2.047 360 E HA -0.243 4.107 4.350 0.001 0.000 0.191 360 E C 1.931 178.494 176.600 -0.061 0.000 0.987 360 E CA 1.468 57.624 56.400 -0.407 0.000 0.799 360 E CB -0.064 29.284 29.700 -0.586 0.000 0.752 360 E HN 0.757 nan 8.360 nan 0.000 0.449 361 E N 0.465 120.589 120.200 -0.126 0.000 2.208 361 E HA -0.110 4.240 4.350 0.001 0.000 0.193 361 E C 2.107 178.683 176.600 -0.041 0.000 0.988 361 E CA 0.828 57.194 56.400 -0.057 0.000 0.828 361 E CB -0.113 29.528 29.700 -0.099 0.000 0.763 361 E HN 0.039 nan 8.360 nan 0.000 0.478 362 V N 1.575 121.434 119.914 -0.092 0.000 2.427 362 V HA -0.242 3.878 4.120 0.001 0.000 0.248 362 V C 2.343 178.424 176.094 -0.023 0.000 1.051 362 V CA 1.986 64.237 62.300 -0.083 0.000 1.048 362 V CB -0.326 31.409 31.823 -0.147 0.000 0.666 362 V HN 0.292 nan 8.190 nan 0.000 0.456 363 S N 0.003 115.725 115.700 0.037 0.000 2.356 363 S HA -0.118 4.352 4.470 0.001 0.000 0.223 363 S C 1.875 176.573 174.600 0.165 0.000 1.032 363 S CA 1.697 59.982 58.200 0.141 0.000 1.005 363 S CB -0.295 63.107 63.200 0.337 0.000 0.867 363 S HN 0.509 nan 8.310 nan 0.000 0.449 364 I N 1.329 121.990 120.570 0.152 0.000 2.252 364 I HA -0.155 4.015 4.170 0.001 0.000 0.245 364 I C 2.526 178.703 176.117 0.100 0.000 1.102 364 I CA 1.155 62.527 61.300 0.120 0.000 1.385 364 I CB -0.369 37.696 38.000 0.107 0.000 1.064 364 I HN 0.304 nan 8.210 nan 0.000 0.414 365 E N 0.365 120.608 120.200 0.071 0.000 2.077 365 E HA -0.189 4.161 4.350 0.001 0.000 0.193 365 E C 2.120 178.780 176.600 0.101 0.000 0.989 365 E CA 1.911 58.349 56.400 0.063 0.000 0.800 365 E CB -0.078 29.636 29.700 0.023 0.000 0.746 365 E HN 0.441 nan 8.360 nan 0.000 0.452 366 T N 1.198 115.810 114.554 0.096 0.000 2.652 366 T HA -0.156 4.194 4.350 0.001 0.000 0.267 366 T C 1.960 176.843 174.700 0.305 0.000 1.039 366 T CA 1.120 63.306 62.100 0.143 0.000 1.153 366 T CB -0.226 68.654 68.868 0.022 0.000 0.863 366 T HN 0.120 nan 8.240 nan 0.000 0.428 367 I N 1.004 121.745 120.570 0.285 0.000 2.226 367 I HA -0.149 4.021 4.170 0.001 0.000 0.245 367 I C 2.570 178.792 176.117 0.175 0.000 1.100 367 I CA 1.399 62.858 61.300 0.264 0.000 1.374 367 I CB -0.462 37.656 38.000 0.196 0.000 1.057 367 I HN 0.331 nan 8.210 nan 0.000 0.413 368 E N 0.966 121.249 120.200 0.139 0.000 2.268 368 E HA -0.138 4.212 4.350 0.001 0.000 0.195 368 E C 2.103 178.766 176.600 0.106 0.000 0.995 368 E CA 0.988 57.447 56.400 0.099 0.000 0.836 368 E CB -0.104 29.644 29.700 0.079 0.000 0.763 368 E HN 0.507 nan 8.360 nan 0.000 0.491 369 A N 0.281 123.204 122.820 0.171 0.000 2.206 369 A HA 0.213 4.534 4.320 0.001 0.000 0.211 369 A C 1.761 179.413 177.584 0.113 0.000 1.158 369 A CA 0.946 53.107 52.037 0.206 0.000 0.761 369 A CB -0.047 19.156 19.000 0.337 0.000 0.801 369 A HN 0.346 nan 8.150 nan 0.000 0.473 370 G N -2.414 106.419 108.800 0.055 0.000 2.192 370 G HA2 -0.156 3.804 3.960 0.001 0.000 0.193 370 G HA3 -0.156 3.804 3.960 0.001 0.000 0.193 370 G C -0.158 174.553 174.900 -0.315 0.000 0.999 370 G CA -0.156 44.834 45.100 -0.183 0.000 0.659 370 G HN 0.339 nan 8.290 nan 0.000 0.503 371 F N 1.955 121.987 119.950 0.137 0.000 2.361 371 F HA 0.813 5.341 4.527 0.001 0.000 0.364 371 F C 0.737 176.735 175.800 0.331 0.000 1.117 371 F CA -0.612 57.513 58.000 0.208 0.000 1.071 371 F CB 1.185 40.298 39.000 0.188 0.000 1.188 371 F HN 0.280 nan 8.300 nan 0.000 0.464 372 M N 0.295 120.084 119.600 0.316 0.000 2.683 372 M HA 0.665 5.146 4.480 0.001 0.000 0.274 372 M C -0.764 175.467 176.300 -0.116 0.000 1.272 372 M CA -0.954 54.358 55.300 0.021 0.000 0.833 372 M CB 2.186 34.778 32.600 -0.012 0.000 1.708 372 M HN 0.366 nan 8.290 nan 0.000 0.463 373 T N -1.846 112.458 114.554 -0.417 0.000 2.816 373 T HA 0.291 4.641 4.350 0.001 0.000 0.282 373 T C 0.770 175.328 174.700 -0.238 0.000 0.993 373 T CA -0.558 61.371 62.100 -0.284 0.000 0.994 373 T CB 1.644 70.276 68.868 -0.394 0.000 1.025 373 T HN 0.932 nan 8.240 nan 0.000 0.529 374 K N 0.703 120.851 120.400 -0.420 0.000 2.113 374 K HA -0.227 4.093 4.320 0.001 0.000 0.208 374 K C 1.855 178.246 176.600 -0.348 0.000 1.047 374 K CA 2.122 57.999 56.287 -0.683 0.000 0.928 374 K CB -0.388 31.455 32.500 -1.096 0.000 0.716 374 K HN 0.816 nan 8.250 nan 0.000 0.446 375 D N 0.885 121.138 120.400 -0.246 0.000 2.123 375 D HA -0.237 4.403 4.640 0.001 0.000 0.196 375 D C 2.005 178.229 176.300 -0.126 0.000 0.992 375 D CA 1.292 55.197 54.000 -0.158 0.000 0.833 375 D CB -0.598 40.126 40.800 -0.126 0.000 0.954 375 D HN 0.336 nan 8.370 nan 0.000 0.455 376 L N 0.369 121.513 121.223 -0.132 0.000 2.156 376 L HA 0.020 4.360 4.340 0.001 0.000 0.208 376 L C 2.858 179.690 176.870 -0.063 0.000 1.095 376 L CA 0.867 55.655 54.840 -0.087 0.000 0.770 376 L CB -0.473 41.532 42.059 -0.090 0.000 0.914 376 L HN 0.062 nan 8.230 nan 0.000 0.439 377 A N 0.386 123.162 122.820 -0.073 0.000 1.930 377 A HA -0.082 4.239 4.320 0.001 0.000 0.217 377 A C 2.504 180.065 177.584 -0.038 0.000 1.175 377 A CA 1.478 53.497 52.037 -0.030 0.000 0.627 377 A CB -0.500 18.511 19.000 0.018 0.000 0.815 377 A HN 0.365 nan 8.150 nan 0.000 0.443 378 A N -1.306 121.471 122.820 -0.071 0.000 2.121 378 A HA -0.076 4.244 4.320 0.001 0.000 0.218 378 A C 2.130 179.687 177.584 -0.045 0.000 1.154 378 A CA 1.441 53.443 52.037 -0.059 0.000 0.679 378 A CB -1.023 17.929 19.000 -0.079 0.000 0.795 378 A HN 0.588 nan 8.150 nan 0.000 0.458 379 C N -0.912 118.362 119.300 -0.043 0.000 2.466 379 C HA 0.046 4.507 4.460 0.001 0.000 0.278 379 C C 2.509 177.484 174.990 -0.025 0.000 1.288 379 C CA 0.695 59.694 59.018 -0.033 0.000 1.722 379 C CB -1.105 26.620 27.740 -0.026 0.000 2.017 379 C HN 0.640 nan 8.230 nan 0.000 0.488 380 I N 0.303 120.861 120.570 -0.021 0.000 2.162 380 I HA -0.070 4.100 4.170 0.001 0.000 0.238 380 I C 1.216 177.324 176.117 -0.015 0.000 1.076 380 I CA 1.260 62.551 61.300 -0.014 0.000 1.353 380 I CB -0.367 37.627 38.000 -0.010 0.000 1.063 380 I HN 0.268 nan 8.210 nan 0.000 0.408 381 K N 1.335 121.727 120.400 -0.012 0.000 2.148 381 K HA 0.377 4.697 4.320 0.001 0.000 0.239 381 K C 0.037 176.627 176.600 -0.016 0.000 1.018 381 K CA -0.387 55.894 56.287 -0.010 0.000 0.923 381 K CB 0.314 32.815 32.500 0.000 0.000 1.117 381 K HN 0.098 nan 8.250 nan 0.000 0.477 382 G N 0.432 109.223 108.800 -0.015 0.000 2.507 382 G HA2 0.122 4.082 3.960 0.001 0.000 0.271 382 G HA3 0.122 4.082 3.960 0.001 0.000 0.271 382 G C 0.893 175.781 174.900 -0.020 0.000 1.189 382 G CA -0.605 44.483 45.100 -0.020 0.000 0.859 382 G HN 0.463 nan 8.290 nan 0.000 0.542 383 L N 1.572 122.779 121.223 -0.027 0.000 2.042 383 L HA -0.021 4.320 4.340 0.001 0.000 0.210 383 L C -0.239 176.621 176.870 -0.017 0.000 1.076 383 L CA 2.061 56.883 54.840 -0.030 0.000 0.749 383 L CB -1.463 40.575 42.059 -0.035 0.000 0.893 383 L HN 0.297 nan 8.230 nan 0.000 0.432 384 P HA -0.071 nan 4.420 nan 0.000 0.222 384 P C 0.514 177.814 177.300 0.000 0.000 1.147 384 P CA 1.323 64.419 63.100 -0.007 0.000 0.790 384 P CB -0.006 31.689 31.700 -0.009 0.000 0.780 385 N N -1.985 116.715 118.700 0.000 0.000 2.236 385 N HA 0.055 4.795 4.740 0.001 0.000 0.196 385 N C -0.409 175.112 175.510 0.019 0.000 1.114 385 N CA -0.033 53.021 53.050 0.006 0.000 0.859 385 N CB 0.126 38.614 38.487 0.001 0.000 0.982 385 N HN -0.095 nan 8.380 nan 0.000 0.493 386 V N 1.712 121.642 119.914 0.027 0.000 2.529 386 V HA 0.042 4.162 4.120 0.001 0.000 0.292 386 V C 0.295 176.447 176.094 0.096 0.000 1.028 386 V CA 0.158 62.495 62.300 0.062 0.000 1.074 386 V CB 0.776 32.629 31.823 0.051 0.000 0.958 386 V HN 0.266 nan 8.190 nan 0.000 0.481 387 Q N 2.634 122.494 119.800 0.100 0.000 2.306 387 Q HA 0.382 4.722 4.340 0.001 0.000 0.265 387 Q C 0.919 176.949 176.000 0.050 0.000 1.022 387 Q CA -0.961 54.884 55.803 0.070 0.000 0.853 387 Q CB 2.093 30.844 28.738 0.021 0.000 1.327 387 Q HN 0.603 nan 8.270 nan 0.000 0.449 388 R N 1.103 121.588 120.500 -0.026 0.000 2.165 388 R HA -0.253 4.087 4.340 0.001 0.000 0.254 388 R C 1.701 177.754 176.300 -0.411 0.000 1.153 388 R CA 2.856 58.783 56.100 -0.288 0.000 0.971 388 R CB -0.679 29.519 30.300 -0.169 0.000 0.878 388 R HN 0.708 nan 8.270 nan 0.000 0.449 389 S N -0.741 114.847 115.700 -0.186 0.000 2.507 389 S HA -0.057 4.414 4.470 0.001 0.000 0.235 389 S C 1.079 175.612 174.600 -0.112 0.000 0.988 389 S CA 1.026 59.140 58.200 -0.142 0.000 0.944 389 S CB -0.099 63.056 63.200 -0.075 0.000 0.762 389 S HN 0.343 nan 8.310 nan 0.000 0.526 390 D N 0.718 121.080 120.400 -0.063 0.000 2.347 390 D HA 0.159 4.800 4.640 0.001 0.000 0.215 390 D C 0.461 176.832 176.300 0.118 0.000 0.976 390 D CA 0.622 54.644 54.000 0.038 0.000 0.884 390 D CB 0.069 40.936 40.800 0.112 0.000 0.915 390 D HN 0.781 nan 8.370 nan 0.000 0.526 391 Y N -2.095 118.199 120.300 -0.011 0.000 2.715 391 Y HA 0.601 5.151 4.550 0.001 0.000 0.331 391 Y C -1.285 174.644 175.900 0.047 0.000 1.197 391 Y CA -1.435 56.667 58.100 0.003 0.000 1.079 391 Y CB 0.890 39.337 38.460 -0.022 0.000 1.298 391 Y HN -0.367 nan 8.280 nan 0.000 0.477 392 L N 2.509 123.925 121.223 0.322 0.000 2.342 392 L HA 0.443 4.783 4.340 0.001 0.000 0.271 392 L C -0.251 176.818 176.870 0.331 0.000 1.008 392 L CA -1.074 53.922 54.840 0.260 0.000 0.818 392 L CB 2.048 44.315 42.059 0.346 0.000 1.296 392 L HN 0.932 nan 8.230 nan 0.000 0.427 393 N N -0.247 118.600 118.700 0.246 0.000 2.347 393 N HA 0.118 4.858 4.740 0.001 0.000 0.253 393 N C 0.344 175.934 175.510 0.135 0.000 1.274 393 N CA -0.536 52.642 53.050 0.213 0.000 0.941 393 N CB 0.886 39.497 38.487 0.206 0.000 1.200 393 N HN 0.489 nan 8.380 nan 0.000 0.514 394 T N 0.378 114.903 114.554 -0.047 0.000 2.624 394 T HA -0.187 4.164 4.350 0.001 0.000 0.268 394 T C 1.449 176.067 174.700 -0.136 0.000 1.041 394 T CA 1.729 63.712 62.100 -0.196 0.000 1.159 394 T CB -0.598 67.941 68.868 -0.548 0.000 0.863 394 T HN 0.483 nan 8.240 nan 0.000 0.434 395 F N 1.453 121.499 119.950 0.159 0.000 2.186 395 F HA -0.012 4.515 4.527 0.001 0.000 0.299 395 F C 2.598 178.472 175.800 0.123 0.000 1.090 395 F CA 0.841 58.917 58.000 0.126 0.000 1.307 395 F CB -0.510 38.552 39.000 0.105 0.000 1.019 395 F HN 0.212 nan 8.300 nan 0.000 0.489 396 E N -0.133 120.246 120.200 0.298 0.000 2.110 396 E HA -0.222 4.128 4.350 0.001 0.000 0.193 396 E C 1.961 178.687 176.600 0.209 0.000 0.988 396 E CA 1.281 57.815 56.400 0.223 0.000 0.804 396 E CB -0.386 29.442 29.700 0.212 0.000 0.745 396 E HN 0.378 nan 8.360 nan 0.000 0.458 397 F N 1.257 121.266 119.950 0.098 0.000 2.102 397 F HA -0.200 4.327 4.527 0.001 0.000 0.298 397 F C 2.171 178.003 175.800 0.053 0.000 1.105 397 F CA 1.240 59.289 58.000 0.080 0.000 1.239 397 F CB -0.044 38.996 39.000 0.068 0.000 0.991 397 F HN -0.053 nan 8.300 nan 0.000 0.474 398 M N 0.143 119.776 119.600 0.056 0.000 2.108 398 M HA -0.230 4.251 4.480 0.001 0.000 0.261 398 M C 1.891 178.141 176.300 -0.083 0.000 1.066 398 M CA 1.543 56.820 55.300 -0.037 0.000 1.107 398 M CB -1.404 31.244 32.600 0.079 0.000 1.356 398 M HN 0.146 nan 8.290 nan 0.000 0.406 399 D N 0.048 120.441 120.400 -0.013 0.000 2.117 399 D HA -0.168 4.473 4.640 0.001 0.000 0.197 399 D C 1.981 178.219 176.300 -0.103 0.000 0.987 399 D CA 1.235 55.220 54.000 -0.026 0.000 0.829 399 D CB -0.160 40.655 40.800 0.024 0.000 0.961 399 D HN 0.181 nan 8.370 nan 0.000 0.460 400 K N 0.905 121.208 120.400 -0.162 0.000 2.097 400 K HA -0.048 4.273 4.320 0.001 0.000 0.206 400 K C 2.198 178.612 176.600 -0.310 0.000 1.049 400 K CA 0.660 56.791 56.287 -0.260 0.000 0.933 400 K CB -0.432 31.889 32.500 -0.299 0.000 0.717 400 K HN 0.121 nan 8.250 nan 0.000 0.442 401 L N -0.855 120.146 121.223 -0.371 0.000 2.027 401 L HA -0.039 4.302 4.340 0.001 0.000 0.206 401 L C 2.414 179.173 176.870 -0.185 0.000 1.074 401 L CA 1.411 56.059 54.840 -0.321 0.000 0.745 401 L CB -0.916 40.924 42.059 -0.364 0.000 0.898 401 L HN 0.422 nan 8.230 nan 0.000 0.433 402 G N -0.457 108.265 108.800 -0.131 0.000 2.440 402 G HA2 -0.318 3.642 3.960 0.001 0.000 0.218 402 G HA3 -0.318 3.642 3.960 0.001 0.000 0.218 402 G C 1.454 176.330 174.900 -0.040 0.000 1.154 402 G CA 0.894 45.965 45.100 -0.048 0.000 0.767 402 G HN 0.461 nan 8.290 nan 0.000 0.552 403 E N 0.770 120.923 120.200 -0.078 0.000 2.058 403 E HA -0.168 4.183 4.350 0.001 0.000 0.194 403 E C 2.194 178.742 176.600 -0.086 0.000 0.997 403 E CA 1.259 57.615 56.400 -0.074 0.000 0.801 403 E CB -0.384 29.252 29.700 -0.108 0.000 0.746 403 E HN 0.607 nan 8.360 nan 0.000 0.450 404 N N 0.085 118.707 118.700 -0.130 0.000 2.331 404 N HA -0.126 4.615 4.740 0.001 0.000 0.180 404 N C 1.863 177.306 175.510 -0.112 0.000 1.019 404 N CA 0.347 53.322 53.050 -0.125 0.000 0.881 404 N CB 0.013 38.407 38.487 -0.155 0.000 0.972 404 N HN 0.124 nan 8.380 nan 0.000 0.435 405 L N 1.954 123.105 121.223 -0.121 0.000 2.072 405 L HA -0.068 4.272 4.340 0.001 0.000 0.205 405 L C 2.165 178.943 176.870 -0.155 0.000 1.079 405 L CA 1.685 56.427 54.840 -0.164 0.000 0.752 405 L CB -0.469 41.480 42.059 -0.182 0.000 0.906 405 L HN -0.052 nan 8.230 nan 0.000 0.436 406 K N -0.241 120.128 120.400 -0.053 0.000 2.032 406 K HA -0.184 4.136 4.320 0.001 0.000 0.209 406 K C 2.100 178.699 176.600 -0.002 0.000 1.048 406 K CA 2.087 58.390 56.287 0.026 0.000 0.927 406 K CB -0.272 32.287 32.500 0.099 0.000 0.712 406 K HN 0.411 nan 8.250 nan 0.000 0.441 407 I N 1.036 121.593 120.570 -0.021 0.000 2.208 407 I HA -0.304 3.866 4.170 0.001 0.000 0.245 407 I C 2.578 178.684 176.117 -0.019 0.000 1.097 407 I CA 1.393 62.683 61.300 -0.018 0.000 1.363 407 I CB -0.279 37.703 38.000 -0.030 0.000 1.051 407 I HN 0.271 nan 8.210 nan 0.000 0.413 408 K N 1.668 122.042 120.400 -0.043 0.000 1.984 408 K HA -0.136 4.184 4.320 0.001 0.000 0.209 408 K C 2.114 178.718 176.600 0.007 0.000 1.046 408 K CA 1.431 57.699 56.287 -0.030 0.000 0.934 408 K CB -0.210 32.246 32.500 -0.074 0.000 0.717 408 K HN 0.193 nan 8.250 nan 0.000 0.438 409 L N 0.592 121.799 121.223 -0.028 0.000 2.261 409 L HA -0.148 4.192 4.340 0.001 0.000 0.216 409 L C 2.549 179.442 176.870 0.038 0.000 1.114 409 L CA 0.952 55.804 54.840 0.020 0.000 0.777 409 L CB -0.630 41.369 42.059 -0.099 0.000 0.910 409 L HN 0.368 nan 8.230 nan 0.000 0.440 410 A N 0.801 123.637 122.820 0.027 0.000 1.840 410 A HA -0.190 4.130 4.320 0.001 0.000 0.214 410 A C 1.961 179.559 177.584 0.023 0.000 1.198 410 A CA 1.085 53.141 52.037 0.032 0.000 0.608 410 A CB -0.537 18.481 19.000 0.030 0.000 0.839 410 A HN 0.588 nan 8.150 nan 0.000 0.443 411 Q N -0.894 118.920 119.800 0.023 0.000 2.292 411 Q HA 0.511 4.852 4.340 0.001 0.000 0.235 411 Q C 0.480 176.499 176.000 0.032 0.000 0.910 411 Q CA 0.432 56.247 55.803 0.021 0.000 0.952 411 Q CB -0.132 28.618 28.738 0.019 0.000 1.089 411 Q HN 0.491 nan 8.270 nan 0.000 0.431 412 A N 0.987 123.823 122.820 0.026 0.000 1.696 412 A HA 0.045 4.365 4.320 0.001 0.000 0.184 412 A C 1.536 179.068 177.584 -0.087 0.000 1.658 412 A CA 0.247 52.290 52.037 0.010 0.000 1.194 412 A CB -0.183 18.902 19.000 0.142 0.000 1.036 412 A HN 0.198 nan 8.150 nan 0.000 0.579 413 K N 0.206 120.558 120.400 -0.081 0.000 2.360 413 K HA -0.011 4.309 4.320 0.001 0.000 0.201 413 K C 0.205 176.763 176.600 -0.070 0.000 1.046 413 K CA 0.636 56.857 56.287 -0.111 0.000 0.940 413 K CB -0.355 32.122 32.500 -0.038 0.000 0.748 413 K HN 0.508 nan 8.250 nan 0.000 0.465 414 L N 0.000 121.199 121.223 -0.040 0.000 2.949 414 L HA 0.000 4.340 4.340 0.001 0.000 0.249 414 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 414 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 414 L HN 0.000 nan 8.230 nan 0.000 0.502