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 2ca4_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADTVTLPFAN GERPLVMYPG KRPLIGLTAR PPQLETPFSV FDEGLITPND DATA SEQUENCE AFFVRYALAG IPLEIDPDAF RLEIKGKVGT PLSLSLQDLK NDFPASEVVA DATA SEQUENCE VNQCSGNSRG FVEPRVGGGQ LANGAMGNAR WRGVPLKAVL EKAGVQAGAK DATA SEQUENCE QVTFGGLDGP VIPETPDFVK ALSIDHATDG EVMLAYSMNG ADLPWLNGYP DATA SEQUENCE LRLVVPGYYG TYWVKHLNEI TVIDKEFDGF WMKTAYRIPD NACACTEPGK DATA SEQUENCE APTATIPINR FDVRSFITNV ENGASVKAGE VPLRGIAFDG GYGITQVSVS DATA SEQUENCE ADAGKSWTNA TLDPGLGKYS FRGWKAVLPL TKGDHVLMCR ATNARGETQP DATA SEQUENCE MQATWNPAGY MRNVVEATRV IAA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.588 177.584 0.007 0.000 1.274 1 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1 A CB 0.000 19.002 19.000 0.003 0.000 0.831 2 D N 1.866 122.272 120.400 0.010 0.000 2.350 2 D HA 0.511 5.151 4.640 0.000 0.000 0.249 2 D C -0.113 176.197 176.300 0.015 0.000 1.119 2 D CA 1.331 55.338 54.000 0.011 0.000 0.886 2 D CB 1.197 42.005 40.800 0.013 0.000 1.195 2 D HN 0.675 nan 8.370 nan 0.000 0.437 3 T N -1.656 112.905 114.554 0.011 0.000 2.906 3 T HA 0.673 5.023 4.350 0.000 0.000 0.295 3 T C -0.098 174.605 174.700 0.004 0.000 1.075 3 T CA -0.871 61.235 62.100 0.010 0.000 1.005 3 T CB 1.456 70.329 68.868 0.007 0.000 1.136 3 T HN 0.158 nan 8.240 nan 0.000 0.498 4 V N -1.198 118.716 119.914 -0.000 0.000 3.113 4 V HA 0.949 5.069 4.120 0.000 0.000 0.316 4 V C -0.654 175.418 176.094 -0.037 0.000 1.125 4 V CA -0.840 61.453 62.300 -0.013 0.000 1.026 4 V CB 1.785 33.603 31.823 -0.007 0.000 1.080 4 V HN 1.098 nan 8.190 nan 0.000 0.444 5 T N 3.307 117.825 114.554 -0.059 0.000 2.840 5 T HA 0.602 4.953 4.350 0.000 0.000 0.287 5 T C -0.329 174.264 174.700 -0.178 0.000 0.991 5 T CA -0.301 61.734 62.100 -0.108 0.000 0.964 5 T CB 0.940 69.759 68.868 -0.082 0.000 0.954 5 T HN 0.686 nan 8.240 nan 0.000 0.438 6 L N 4.665 125.689 121.223 -0.332 0.000 2.436 6 L HA 0.340 4.681 4.340 0.000 0.000 0.265 6 L C -1.541 174.948 176.870 -0.635 0.000 1.168 6 L CA -2.044 52.468 54.840 -0.547 0.000 0.815 6 L CB 0.428 41.935 42.059 -0.921 0.000 1.109 6 L HN 0.390 nan 8.230 nan 0.000 0.462 7 P HA 0.167 nan 4.420 nan 0.000 0.218 7 P C -1.179 176.067 177.300 -0.090 0.000 1.793 7 P CA 0.072 63.082 63.100 -0.151 0.000 0.941 7 P CB -0.586 31.170 31.700 0.093 0.000 1.919 8 F N -2.048 117.853 119.950 -0.082 0.000 2.715 8 F HA 0.792 5.319 4.527 0.000 0.000 0.318 8 F C -0.479 175.285 175.800 -0.060 0.000 1.141 8 F CA -2.547 55.393 58.000 -0.099 0.000 0.950 8 F CB 0.278 39.121 39.000 -0.262 0.000 1.374 8 F HN -0.084 nan 8.300 nan 0.000 0.477 9 A N 1.548 124.524 122.820 0.259 0.000 2.498 9 A HA 0.340 4.660 4.320 0.000 0.000 0.239 9 A C 0.608 178.305 177.584 0.188 0.000 1.068 9 A CA 0.431 52.560 52.037 0.153 0.000 0.766 9 A CB -0.622 18.442 19.000 0.106 0.000 1.003 9 A HN 1.313 nan 8.150 nan 0.000 0.497 10 N N 0.289 119.048 118.700 0.098 0.000 2.727 10 N HA -0.152 4.588 4.740 0.000 0.000 0.251 10 N C 0.652 176.217 175.510 0.091 0.000 1.040 10 N CA 1.448 54.549 53.050 0.085 0.000 0.712 10 N CB -1.171 37.371 38.487 0.090 0.000 0.912 10 N HN 1.028 nan 8.380 nan 0.000 0.545 11 G N -0.570 108.212 108.800 -0.030 0.000 3.088 11 G HA2 0.001 3.961 3.960 0.000 0.000 0.217 11 G HA3 0.001 3.961 3.960 0.000 0.000 0.217 11 G C 0.216 175.023 174.900 -0.154 0.000 1.159 11 G CA -0.217 44.743 45.100 -0.233 0.000 0.760 11 G HN 0.493 nan 8.290 nan 0.000 0.550 12 E N 1.230 121.395 120.200 -0.058 0.000 2.376 12 E HA 0.221 4.571 4.350 0.000 0.000 0.266 12 E C -0.196 176.401 176.600 -0.006 0.000 1.009 12 E CA 0.171 56.551 56.400 -0.033 0.000 0.902 12 E CB 0.468 30.162 29.700 -0.010 0.000 0.972 12 E HN 0.070 nan 8.360 nan 0.000 0.439 13 R N 4.068 124.566 120.500 -0.003 0.000 2.740 13 R HA 0.426 4.766 4.340 0.000 0.000 0.273 13 R C -2.554 173.763 176.300 0.028 0.000 0.998 13 R CA -2.025 54.090 56.100 0.024 0.000 0.900 13 R CB 1.569 31.888 30.300 0.032 0.000 1.223 13 R HN 0.452 nan 8.270 nan 0.000 0.466 14 P HA 0.245 nan 4.420 nan 0.000 0.278 14 P C -0.369 176.965 177.300 0.056 0.000 1.238 14 P CA -0.387 62.741 63.100 0.046 0.000 0.794 14 P CB 0.957 32.691 31.700 0.056 0.000 0.955 15 L N 2.854 124.106 121.223 0.049 0.000 2.265 15 L HA 0.345 4.685 4.340 0.000 0.000 0.288 15 L C 0.487 177.401 176.870 0.073 0.000 1.058 15 L CA -0.681 54.193 54.840 0.057 0.000 0.809 15 L CB 1.177 43.259 42.059 0.039 0.000 1.179 15 L HN 0.232 nan 8.230 nan 0.000 0.429 16 V N 2.009 121.993 119.914 0.117 0.000 2.735 16 V HA 0.611 4.731 4.120 0.000 0.000 0.310 16 V C -0.516 175.693 176.094 0.190 0.000 1.061 16 V CA -0.842 61.551 62.300 0.154 0.000 0.913 16 V CB 2.044 34.031 31.823 0.273 0.000 1.005 16 V HN 0.818 nan 8.190 nan 0.000 0.428 17 M N 4.366 124.028 119.600 0.103 0.000 2.167 17 M HA 0.600 5.080 4.480 0.000 0.000 0.333 17 M C -1.867 174.455 176.300 0.037 0.000 1.030 17 M CA -0.395 54.969 55.300 0.106 0.000 0.963 17 M CB 1.317 33.940 32.600 0.037 0.000 1.589 17 M HN 0.851 nan 8.290 nan 0.000 0.431 18 Y N 4.478 124.790 120.300 0.020 0.000 2.457 18 Y HA 0.526 5.076 4.550 0.000 0.000 0.333 18 Y C -2.049 173.855 175.900 0.006 0.000 1.119 18 Y CA -2.175 55.935 58.100 0.017 0.000 1.143 18 Y CB 1.119 39.605 38.460 0.044 0.000 1.230 18 Y HN 0.530 nan 8.280 nan 0.000 0.469 19 P HA 0.044 nan 4.420 nan 0.000 0.264 19 P C 0.569 177.913 177.300 0.073 0.000 1.193 19 P CA 1.467 64.589 63.100 0.037 0.000 0.763 19 P CB 0.432 32.117 31.700 -0.026 0.000 0.810 20 G N 1.336 110.165 108.800 0.049 0.000 2.189 20 G HA2 -0.231 3.729 3.960 0.000 0.000 0.267 20 G HA3 -0.231 3.729 3.960 0.000 0.000 0.267 20 G C 0.122 175.063 174.900 0.069 0.000 0.975 20 G CA 0.109 45.241 45.100 0.053 0.000 0.644 20 G HN 0.513 nan 8.290 nan 0.000 0.537 21 K N 0.547 121.002 120.400 0.092 0.000 2.203 21 K HA 0.481 4.801 4.320 0.000 0.000 0.251 21 K C 0.950 177.595 176.600 0.075 0.000 0.944 21 K CA -0.756 55.588 56.287 0.094 0.000 0.829 21 K CB 1.794 34.376 32.500 0.137 0.000 1.125 21 K HN 0.658 nan 8.250 nan 0.000 0.430 22 R N 0.827 121.358 120.500 0.052 0.000 2.822 22 R HA 0.283 4.623 4.340 0.000 0.000 0.277 22 R C -2.195 174.139 176.300 0.057 0.000 1.102 22 R CA -1.223 54.900 56.100 0.038 0.000 1.207 22 R CB -0.886 29.421 30.300 0.012 0.000 1.139 22 R HN 0.164 nan 8.270 nan 0.000 0.557 23 P HA 0.073 nan 4.420 nan 0.000 0.268 23 P C -0.871 176.463 177.300 0.056 0.000 1.204 23 P CA 0.262 63.398 63.100 0.060 0.000 0.768 23 P CB 0.550 32.273 31.700 0.038 0.000 0.842 24 L N 2.421 123.694 121.223 0.083 0.000 2.277 24 L HA 0.516 4.856 4.340 0.000 0.000 0.254 24 L C 0.184 177.099 176.870 0.075 0.000 1.044 24 L CA -1.277 53.601 54.840 0.064 0.000 0.842 24 L CB 1.456 43.552 42.059 0.060 0.000 1.422 24 L HN 0.171 nan 8.230 nan 0.000 0.422 25 I N 1.227 121.836 120.570 0.066 0.000 2.363 25 I HA 0.149 4.319 4.170 0.000 0.000 0.292 25 I C 0.738 176.906 176.117 0.085 0.000 1.075 25 I CA 0.087 61.429 61.300 0.070 0.000 1.333 25 I CB 0.694 38.734 38.000 0.066 0.000 1.415 25 I HN 0.555 nan 8.210 nan 0.000 0.502 26 G N 5.974 114.833 108.800 0.098 0.000 2.351 26 G HA2 0.295 4.255 3.960 0.000 0.000 0.287 26 G HA3 0.295 4.255 3.960 0.000 0.000 0.287 26 G C 0.360 175.322 174.900 0.103 0.000 1.159 26 G CA -0.380 44.790 45.100 0.116 0.000 0.929 26 G HN 0.573 nan 8.290 nan 0.000 0.435 27 L N 2.763 124.048 121.223 0.103 0.000 2.121 27 L HA 0.339 4.679 4.340 0.000 0.000 0.200 27 L C 1.616 178.549 176.870 0.105 0.000 1.077 27 L CA 1.839 56.743 54.840 0.106 0.000 0.766 27 L CB -0.081 42.046 42.059 0.114 0.000 0.931 27 L HN 0.623 nan 8.230 nan 0.000 0.452 28 T N -4.578 110.043 114.554 0.112 0.000 2.909 28 T HA 0.671 5.021 4.350 0.000 0.000 0.299 28 T C 0.305 175.087 174.700 0.136 0.000 1.073 28 T CA -0.282 61.886 62.100 0.115 0.000 0.999 28 T CB 1.659 70.593 68.868 0.111 0.000 1.098 28 T HN 0.124 nan 8.240 nan 0.000 0.477 29 A N 1.351 124.254 122.820 0.139 0.000 1.997 29 A HA 0.423 4.743 4.320 0.000 0.000 0.212 29 A C 1.233 178.904 177.584 0.144 0.000 1.178 29 A CA 0.156 52.298 52.037 0.175 0.000 0.698 29 A CB -0.051 19.032 19.000 0.139 0.000 0.842 29 A HN 0.828 nan 8.150 nan 0.000 0.458 30 R N 0.972 121.534 120.500 0.104 0.000 2.521 30 R HA 0.334 4.674 4.340 0.000 0.000 0.295 30 R C -3.048 173.296 176.300 0.072 0.000 1.183 30 R CA -1.527 54.618 56.100 0.076 0.000 0.957 30 R CB 1.470 31.805 30.300 0.058 0.000 1.171 30 R HN 0.167 nan 8.270 nan 0.000 0.494 31 P HA 0.262 nan 4.420 nan 0.000 0.274 31 P C -2.753 174.618 177.300 0.117 0.000 1.246 31 P CA -1.611 61.518 63.100 0.048 0.000 0.795 31 P CB 0.404 32.117 31.700 0.021 0.000 1.006 32 P HA 0.200 nan 4.420 nan 0.000 0.271 32 P C -0.699 176.692 177.300 0.152 0.000 1.220 32 P CA 0.366 63.544 63.100 0.131 0.000 0.768 32 P CB 0.383 32.132 31.700 0.080 0.000 0.848 33 Q N 2.563 122.411 119.800 0.081 0.000 2.263 33 Q HA 0.519 4.859 4.340 0.000 0.000 0.266 33 Q C -1.129 174.904 176.000 0.056 0.000 1.002 33 Q CA -0.515 55.344 55.803 0.093 0.000 0.790 33 Q CB 1.969 30.787 28.738 0.133 0.000 1.272 33 Q HN 0.383 nan 8.270 nan 0.000 0.435 34 L N 1.264 122.520 121.223 0.054 0.000 2.385 34 L HA 0.573 4.914 4.340 0.000 0.000 0.273 34 L C -0.390 176.569 176.870 0.148 0.000 0.990 34 L CA -0.686 54.182 54.840 0.048 0.000 0.821 34 L CB 2.363 44.389 42.059 -0.055 0.000 1.279 34 L HN 0.560 nan 8.230 nan 0.000 0.412 35 E N 1.036 121.314 120.200 0.129 0.000 2.202 35 E HA 0.427 4.777 4.350 0.000 0.000 0.272 35 E C -1.051 175.610 176.600 0.102 0.000 0.951 35 E CA -0.622 55.861 56.400 0.138 0.000 0.813 35 E CB 1.910 31.681 29.700 0.119 0.000 1.151 35 E HN 0.511 nan 8.360 nan 0.000 0.398 36 T N 4.830 119.438 114.554 0.090 0.000 2.832 36 T HA 0.261 4.612 4.350 0.000 0.000 0.296 36 T C -2.420 172.277 174.700 -0.004 0.000 0.968 36 T CA -1.286 60.806 62.100 -0.014 0.000 1.107 36 T CB 0.993 69.774 68.868 -0.145 0.000 0.916 36 T HN 0.324 nan 8.240 nan 0.000 0.517 37 P HA 0.071 nan 4.420 nan 0.000 0.265 37 P C 0.505 177.793 177.300 -0.019 0.000 1.193 37 P CA -0.380 62.723 63.100 0.005 0.000 0.765 37 P CB 0.310 31.996 31.700 -0.025 0.000 0.823 38 F N 3.404 123.359 119.950 0.009 0.000 2.192 38 F HA -0.265 4.262 4.527 0.000 0.000 0.301 38 F C 2.132 177.939 175.800 0.011 0.000 1.079 38 F CA 2.359 60.421 58.000 0.102 0.000 1.303 38 F CB -0.703 38.360 39.000 0.105 0.000 1.024 38 F HN 0.302 nan 8.300 nan 0.000 0.494 39 S N -0.894 114.757 115.700 -0.081 0.000 2.419 39 S HA -0.176 4.294 4.470 0.000 0.000 0.235 39 S C 2.056 176.481 174.600 -0.292 0.000 1.019 39 S CA 1.235 59.337 58.200 -0.164 0.000 0.982 39 S CB -1.344 61.819 63.200 -0.062 0.000 0.789 39 S HN 0.211 nan 8.310 nan 0.000 0.490 40 V N 0.849 120.515 119.914 -0.413 0.000 2.490 40 V HA -0.110 4.010 4.120 0.000 0.000 0.250 40 V C 1.980 177.757 176.094 -0.529 0.000 1.061 40 V CA 1.545 63.551 62.300 -0.489 0.000 1.064 40 V CB -1.144 30.326 31.823 -0.589 0.000 0.670 40 V HN 0.485 nan 8.190 nan 0.000 0.461 41 F N 0.109 119.837 119.950 -0.370 0.000 2.604 41 F HA -0.000 4.527 4.527 0.000 0.000 0.298 41 F C 1.914 177.501 175.800 -0.356 0.000 1.131 41 F CA 1.080 58.847 58.000 -0.388 0.000 1.457 41 F CB -0.455 38.178 39.000 -0.612 0.000 1.095 41 F HN 0.210 nan 8.300 nan 0.000 0.574 42 D N -0.036 120.224 120.400 -0.233 0.000 2.340 42 D HA -0.040 4.600 4.640 0.000 0.000 0.220 42 D C 1.626 177.852 176.300 -0.124 0.000 1.039 42 D CA 0.514 54.408 54.000 -0.177 0.000 0.866 42 D CB -0.060 40.638 40.800 -0.170 0.000 0.913 42 D HN 0.282 nan 8.370 nan 0.000 0.523 43 E N -0.727 119.400 120.200 -0.122 0.000 2.371 43 E HA 0.280 4.630 4.350 0.000 0.000 0.194 43 E C 0.886 177.455 176.600 -0.053 0.000 1.012 43 E CA 0.262 56.609 56.400 -0.087 0.000 0.860 43 E CB 0.607 30.247 29.700 -0.100 0.000 0.811 43 E HN 0.216 nan 8.360 nan 0.000 0.502 44 G N -0.741 108.039 108.800 -0.032 0.000 2.320 44 G HA2 0.022 3.982 3.960 0.000 0.000 0.297 44 G HA3 0.022 3.982 3.960 0.000 0.000 0.297 44 G C -0.251 174.688 174.900 0.064 0.000 1.344 44 G CA -0.864 44.238 45.100 0.004 0.000 0.851 44 G HN -0.005 nan 8.290 nan 0.000 0.567 45 L N -0.215 121.062 121.223 0.089 0.000 2.209 45 L HA 0.244 4.584 4.340 0.000 0.000 0.207 45 L C 0.552 177.550 176.870 0.215 0.000 1.094 45 L CA 0.762 55.711 54.840 0.181 0.000 0.790 45 L CB -0.133 42.015 42.059 0.147 0.000 0.932 45 L HN 0.300 nan 8.230 nan 0.000 0.447 46 I N 0.395 121.029 120.570 0.108 0.000 2.331 46 I HA 0.107 4.278 4.170 0.000 0.000 0.292 46 I C 0.207 176.365 176.117 0.068 0.000 0.998 46 I CA -0.068 61.267 61.300 0.058 0.000 1.267 46 I CB 1.190 39.191 38.000 0.002 0.000 1.386 46 I HN -0.074 nan 8.210 nan 0.000 0.476 47 T N 8.616 123.227 114.554 0.096 0.000 2.799 47 T HA 0.204 4.554 4.350 0.000 0.000 0.296 47 T C -2.246 172.519 174.700 0.107 0.000 0.947 47 T CA -0.836 61.319 62.100 0.092 0.000 1.141 47 T CB 0.262 69.175 68.868 0.074 0.000 0.891 47 T HN 0.333 nan 8.240 nan 0.000 0.533 48 P HA 0.171 nan 4.420 nan 0.000 0.269 48 P C 0.695 178.047 177.300 0.088 0.000 1.209 48 P CA -0.380 62.739 63.100 0.032 0.000 0.776 48 P CB 0.525 32.223 31.700 -0.004 0.000 0.876 49 N N 1.857 120.579 118.700 0.036 0.000 2.137 49 N HA -0.202 4.538 4.740 0.000 0.000 0.190 49 N C 0.979 176.535 175.510 0.076 0.000 1.017 49 N CA 1.800 54.869 53.050 0.031 0.000 0.859 49 N CB -0.725 37.742 38.487 -0.032 0.000 1.002 49 N HN 0.608 nan 8.380 nan 0.000 0.428 50 D N -1.140 119.291 120.400 0.051 0.000 2.363 50 D HA 0.095 4.735 4.640 0.000 0.000 0.220 50 D C 1.121 177.453 176.300 0.053 0.000 0.994 50 D CA 0.615 54.645 54.000 0.051 0.000 0.890 50 D CB -0.054 40.764 40.800 0.029 0.000 0.906 50 D HN 0.205 nan 8.370 nan 0.000 0.530 51 A N -0.751 122.100 122.820 0.052 0.000 2.288 51 A HA 0.245 4.565 4.320 0.000 0.000 0.216 51 A C 0.322 177.934 177.584 0.046 0.000 1.199 51 A CA -0.603 51.439 52.037 0.008 0.000 0.891 51 A CB -0.472 18.481 19.000 -0.079 0.000 0.923 51 A HN 0.222 nan 8.150 nan 0.000 0.500 52 F N 1.545 121.493 119.950 -0.003 0.000 2.529 52 F HA 0.369 4.896 4.527 0.000 0.000 0.365 52 F C 0.548 176.373 175.800 0.043 0.000 1.102 52 F CA -0.606 57.413 58.000 0.033 0.000 1.271 52 F CB 0.398 39.381 39.000 -0.029 0.000 1.120 52 F HN 0.356 nan 8.300 nan 0.000 0.579 53 F N 4.230 124.151 119.950 -0.049 0.000 2.444 53 F HA 0.569 5.096 4.527 0.000 0.000 0.331 53 F C -1.158 174.708 175.800 0.111 0.000 1.167 53 F CA -0.974 57.034 58.000 0.013 0.000 1.262 53 F CB 0.139 39.109 39.000 -0.050 0.000 1.196 53 F HN 0.072 nan 8.300 nan 0.000 0.583 54 V N 3.870 123.787 119.914 0.004 0.000 2.531 54 V HA 0.542 4.662 4.120 0.000 0.000 0.301 54 V C -0.427 175.648 176.094 -0.032 0.000 1.034 54 V CA -0.821 61.383 62.300 -0.161 0.000 0.865 54 V CB 1.551 33.324 31.823 -0.084 0.000 0.995 54 V HN 0.783 nan 8.190 nan 0.000 0.424 55 R N 3.211 123.597 120.500 -0.191 0.000 2.628 55 R HA 0.653 4.993 4.340 0.000 0.000 0.288 55 R C -1.978 174.152 176.300 -0.283 0.000 0.980 55 R CA -0.674 55.395 56.100 -0.052 0.000 0.891 55 R CB 2.528 32.907 30.300 0.132 0.000 1.188 55 R HN 0.662 nan 8.270 nan 0.000 0.450 56 Y N -0.840 119.429 120.300 -0.052 0.000 2.504 56 Y HA 0.354 4.905 4.550 0.000 0.000 0.344 56 Y C 0.619 176.435 175.900 -0.140 0.000 1.023 56 Y CA -0.537 57.476 58.100 -0.145 0.000 1.020 56 Y CB 2.310 40.732 38.460 -0.064 0.000 1.282 56 Y HN 0.719 nan 8.280 nan 0.000 0.454 57 A N 2.292 125.042 122.820 -0.116 0.000 1.984 57 A HA 0.328 4.649 4.320 0.000 0.000 0.214 57 A C -0.004 177.619 177.584 0.065 0.000 1.173 57 A CA 0.899 52.886 52.037 -0.083 0.000 0.673 57 A CB 0.055 18.768 19.000 -0.479 0.000 0.830 57 A HN 0.548 nan 8.150 nan 0.000 0.453 58 L N -2.320 118.919 121.223 0.027 0.000 2.381 58 L HA 0.576 4.916 4.340 0.000 0.000 0.268 58 L C 1.204 178.079 176.870 0.009 0.000 0.997 58 L CA -0.436 54.446 54.840 0.071 0.000 0.818 58 L CB 1.964 44.083 42.059 0.101 0.000 1.310 58 L HN 0.114 nan 8.230 nan 0.000 0.416 59 A N 1.795 124.630 122.820 0.026 0.000 2.067 59 A HA 0.019 4.339 4.320 0.000 0.000 0.219 59 A C 1.520 179.078 177.584 -0.043 0.000 1.158 59 A CA 1.134 53.165 52.037 -0.010 0.000 0.661 59 A CB -0.591 18.423 19.000 0.022 0.000 0.801 59 A HN 0.896 nan 8.150 nan 0.000 0.452 60 G N 1.150 109.938 108.800 -0.019 0.000 3.180 60 G HA2 0.383 4.344 3.960 0.000 0.000 0.252 60 G HA3 0.383 4.344 3.960 0.000 0.000 0.252 60 G C 0.395 175.256 174.900 -0.064 0.000 0.871 60 G CA -0.098 44.989 45.100 -0.021 0.000 1.979 60 G HN 0.723 nan 8.290 nan 0.000 0.624 61 I N -1.553 118.930 120.570 -0.146 0.000 2.696 61 I HA 0.428 4.598 4.170 0.000 0.000 0.284 61 I C -1.868 174.193 176.117 -0.094 0.000 1.129 61 I CA -2.355 58.809 61.300 -0.227 0.000 1.410 61 I CB 0.780 38.479 38.000 -0.501 0.000 1.399 61 I HN -0.053 nan 8.210 nan 0.000 0.579 62 P HA 0.134 nan 4.420 nan 0.000 0.271 62 P C -0.233 177.258 177.300 0.318 0.000 1.216 62 P CA -0.095 63.027 63.100 0.036 0.000 0.776 62 P CB 1.431 33.069 31.700 -0.103 0.000 0.881 63 L N 0.806 122.189 121.223 0.267 0.000 2.966 63 L HA 0.303 4.643 4.340 0.000 0.000 0.262 63 L C 0.912 177.861 176.870 0.130 0.000 1.165 63 L CA 0.198 55.132 54.840 0.156 0.000 0.978 63 L CB 0.393 42.435 42.059 -0.028 0.000 1.337 63 L HN 0.458 nan 8.230 nan 0.000 0.563 64 E N 1.394 121.804 120.200 0.349 0.000 2.287 64 E HA 0.494 4.845 4.350 0.000 0.000 0.274 64 E C -1.463 175.370 176.600 0.389 0.000 0.896 64 E CA -0.420 56.168 56.400 0.313 0.000 0.788 64 E CB 1.903 31.688 29.700 0.142 0.000 1.244 64 E HN 0.074 nan 8.360 nan 0.000 0.408 65 I N 3.046 123.903 120.570 0.479 0.000 2.569 65 I HA 0.239 4.409 4.170 0.000 0.000 0.290 65 I C -1.033 175.247 176.117 0.271 0.000 1.088 65 I CA -0.981 60.504 61.300 0.308 0.000 1.047 65 I CB 2.088 40.197 38.000 0.182 0.000 1.237 65 I HN 0.486 nan 8.210 nan 0.000 0.421 66 D N 8.441 128.964 120.400 0.205 0.000 2.443 66 D HA 0.272 4.912 4.640 0.000 0.000 0.221 66 D C -1.562 174.840 176.300 0.169 0.000 1.097 66 D CA -2.365 51.737 54.000 0.170 0.000 0.865 66 D CB 1.516 42.392 40.800 0.127 0.000 1.034 66 D HN 0.190 nan 8.370 nan 0.000 0.511 67 P HA -0.099 nan 4.420 nan 0.000 0.223 67 P C 0.461 177.819 177.300 0.096 0.000 1.144 67 P CA 0.734 63.884 63.100 0.083 0.000 0.783 67 P CB 0.636 32.398 31.700 0.104 0.000 0.771 68 D N -0.011 120.448 120.400 0.099 0.000 2.183 68 D HA 0.006 4.646 4.640 0.000 0.000 0.205 68 D C 1.985 178.338 176.300 0.088 0.000 0.962 68 D CA 1.082 55.129 54.000 0.078 0.000 0.849 68 D CB -0.239 40.597 40.800 0.060 0.000 0.978 68 D HN 0.141 nan 8.370 nan 0.000 0.488 69 A N 0.626 123.507 122.820 0.102 0.000 2.072 69 A HA -0.001 4.319 4.320 0.000 0.000 0.216 69 A C 0.849 178.487 177.584 0.090 0.000 1.156 69 A CA -0.287 51.798 52.037 0.080 0.000 0.701 69 A CB -0.557 18.485 19.000 0.069 0.000 0.816 69 A HN 0.144 nan 8.150 nan 0.000 0.458 70 F N 1.918 121.862 119.950 -0.010 0.000 2.608 70 F HA 0.278 4.805 4.527 0.000 0.000 0.380 70 F C 0.417 176.199 175.800 -0.030 0.000 1.083 70 F CA 0.307 58.289 58.000 -0.029 0.000 1.266 70 F CB 0.488 39.449 39.000 -0.064 0.000 1.076 70 F HN 0.033 nan 8.300 nan 0.000 0.574 71 R N 6.255 126.400 120.500 -0.592 0.000 2.628 71 R HA 0.400 4.740 4.340 0.000 0.000 0.288 71 R C -1.727 174.195 176.300 -0.629 0.000 0.980 71 R CA -1.236 54.632 56.100 -0.387 0.000 0.891 71 R CB 1.697 31.862 30.300 -0.225 0.000 1.188 71 R HN 0.701 nan 8.270 nan 0.000 0.450 72 L N 2.930 123.997 121.223 -0.259 0.000 2.260 72 L HA 0.306 4.646 4.340 0.000 0.000 0.289 72 L C -0.146 176.651 176.870 -0.121 0.000 1.057 72 L CA 0.145 54.890 54.840 -0.159 0.000 0.811 72 L CB 0.727 42.794 42.059 0.013 0.000 1.184 72 L HN 0.347 nan 8.230 nan 0.000 0.429 73 E N 6.426 126.547 120.200 -0.133 0.000 2.227 73 E HA 0.352 4.702 4.350 0.000 0.000 0.282 73 E C -0.731 175.815 176.600 -0.089 0.000 1.015 73 E CA -0.366 55.975 56.400 -0.099 0.000 0.823 73 E CB 1.924 31.563 29.700 -0.101 0.000 1.081 73 E HN 0.444 nan 8.360 nan 0.000 0.396 74 I N 3.728 124.253 120.570 -0.075 0.000 2.382 74 I HA 0.302 4.472 4.170 0.000 0.000 0.286 74 I C 0.484 176.556 176.117 -0.076 0.000 1.002 74 I CA -0.552 60.699 61.300 -0.083 0.000 1.135 74 I CB 0.832 38.793 38.000 -0.066 0.000 1.288 74 I HN 0.463 nan 8.210 nan 0.000 0.448 75 K N 3.623 123.966 120.400 -0.095 0.000 2.428 75 K HA 0.840 5.160 4.320 0.000 0.000 0.279 75 K C 0.100 176.647 176.600 -0.088 0.000 1.041 75 K CA -0.407 55.833 56.287 -0.079 0.000 0.887 75 K CB 1.899 34.358 32.500 -0.069 0.000 1.535 75 K HN 0.646 nan 8.250 nan 0.000 0.417 76 G N 0.864 109.623 108.800 -0.068 0.000 2.545 76 G HA2 -0.208 3.752 3.960 0.000 0.000 0.240 76 G HA3 -0.208 3.752 3.960 0.000 0.000 0.240 76 G C -0.930 173.938 174.900 -0.052 0.000 1.172 76 G CA -0.230 44.832 45.100 -0.064 0.000 0.949 76 G HN 0.439 nan 8.290 nan 0.000 0.574 77 K N 1.812 122.179 120.400 -0.054 0.000 3.000 77 K HA 0.392 4.712 4.320 0.000 0.000 0.265 77 K C 0.559 177.134 176.600 -0.042 0.000 1.260 77 K CA 0.770 57.032 56.287 -0.041 0.000 1.209 77 K CB -0.510 31.967 32.500 -0.038 0.000 1.484 77 K HN 1.284 nan 8.250 nan 0.000 0.283 78 V N -4.035 115.855 119.914 -0.039 0.000 2.914 78 V HA 0.635 4.755 4.120 0.000 0.000 0.314 78 V C 1.321 177.401 176.094 -0.023 0.000 1.084 78 V CA -0.834 61.447 62.300 -0.033 0.000 0.963 78 V CB 1.663 33.463 31.823 -0.039 0.000 1.025 78 V HN 0.254 nan 8.190 nan 0.000 0.432 79 G N 1.627 110.417 108.800 -0.017 0.000 2.421 79 G HA2 0.063 4.023 3.960 0.000 0.000 0.216 79 G HA3 0.063 4.023 3.960 0.000 0.000 0.216 79 G C 0.602 175.496 174.900 -0.011 0.000 1.171 79 G CA 1.251 46.343 45.100 -0.012 0.000 0.775 79 G HN 0.839 nan 8.290 nan 0.000 0.543 80 T N 2.187 116.735 114.554 -0.009 0.000 2.892 80 T HA 0.488 4.838 4.350 0.000 0.000 0.311 80 T C -2.771 171.923 174.700 -0.010 0.000 1.033 80 T CA -0.902 61.194 62.100 -0.007 0.000 0.991 80 T CB 2.553 71.421 68.868 -0.000 0.000 0.981 80 T HN -0.113 nan 8.240 nan 0.000 0.457 81 P HA 0.212 nan 4.420 nan 0.000 0.266 81 P C -0.780 176.513 177.300 -0.012 0.000 1.195 81 P CA -0.138 62.950 63.100 -0.021 0.000 0.768 81 P CB 0.511 32.196 31.700 -0.025 0.000 0.838 82 L N 1.672 122.886 121.223 -0.014 0.000 2.362 82 L HA 0.565 4.906 4.340 0.000 0.000 0.271 82 L C 0.270 177.132 176.870 -0.014 0.000 1.002 82 L CA -0.542 54.298 54.840 0.001 0.000 0.818 82 L CB 2.126 44.200 42.059 0.025 0.000 1.298 82 L HN 0.244 nan 8.230 nan 0.000 0.420 83 S N 3.481 119.177 115.700 -0.006 0.000 2.718 83 S HA 0.626 5.096 4.470 0.000 0.000 0.294 83 S C -0.918 173.682 174.600 0.001 0.000 1.157 83 S CA -0.516 57.671 58.200 -0.023 0.000 1.121 83 S CB 0.210 63.391 63.200 -0.032 0.000 1.015 83 S HN 0.436 nan 8.310 nan 0.000 0.479 84 L N 4.301 125.527 121.223 0.005 0.000 2.296 84 L HA 0.558 4.898 4.340 0.000 0.000 0.286 84 L C 0.737 177.640 176.870 0.056 0.000 1.023 84 L CA -0.718 54.152 54.840 0.051 0.000 0.812 84 L CB 1.947 44.050 42.059 0.073 0.000 1.223 84 L HN 0.693 nan 8.230 nan 0.000 0.421 85 S N 2.511 118.254 115.700 0.072 0.000 2.624 85 S HA 0.357 4.827 4.470 0.000 0.000 0.263 85 S C 1.124 175.784 174.600 0.100 0.000 1.287 85 S CA -0.728 57.529 58.200 0.094 0.000 0.990 85 S CB 0.959 64.197 63.200 0.062 0.000 0.950 85 S HN 0.580 nan 8.310 nan 0.000 0.561 86 L N 0.544 121.820 121.223 0.088 0.000 2.083 86 L HA -0.137 4.203 4.340 0.000 0.000 0.209 86 L C 3.086 179.913 176.870 -0.072 0.000 1.083 86 L CA 1.654 56.481 54.840 -0.022 0.000 0.752 86 L CB -0.625 41.367 42.059 -0.112 0.000 0.899 86 L HN 0.844 nan 8.230 nan 0.000 0.433 87 Q N 0.093 119.872 119.800 -0.034 0.000 2.084 87 Q HA -0.229 4.111 4.340 0.000 0.000 0.202 87 Q C 1.718 177.723 176.000 0.010 0.000 0.978 87 Q CA 1.722 57.505 55.803 -0.033 0.000 0.844 87 Q CB 0.088 28.817 28.738 -0.014 0.000 0.898 87 Q HN 0.456 nan 8.270 nan 0.000 0.426 88 D N 0.633 121.065 120.400 0.054 0.000 2.106 88 D HA -0.206 4.434 4.640 0.000 0.000 0.191 88 D C 1.986 178.424 176.300 0.231 0.000 0.997 88 D CA 1.179 55.251 54.000 0.120 0.000 0.834 88 D CB -0.355 40.535 40.800 0.149 0.000 0.956 88 D HN 0.298 nan 8.370 nan 0.000 0.448 89 L N 0.211 121.551 121.223 0.194 0.000 2.079 89 L HA -0.175 4.165 4.340 0.000 0.000 0.210 89 L C 2.281 179.296 176.870 0.241 0.000 1.081 89 L CA 1.272 56.255 54.840 0.238 0.000 0.752 89 L CB -0.220 41.910 42.059 0.119 0.000 0.896 89 L HN 0.001 nan 8.230 nan 0.000 0.433 90 K N -0.716 119.695 120.400 0.019 0.000 2.296 90 K HA -0.032 4.289 4.320 0.000 0.000 0.200 90 K C 1.527 178.154 176.600 0.045 0.000 1.048 90 K CA 0.708 56.956 56.287 -0.064 0.000 0.966 90 K CB 0.097 32.411 32.500 -0.311 0.000 0.754 90 K HN 0.261 nan 8.250 nan 0.000 0.466 91 N N 0.312 119.045 118.700 0.055 0.000 2.510 91 N HA -0.033 4.707 4.740 0.000 0.000 0.186 91 N C 0.598 176.105 175.510 -0.004 0.000 1.051 91 N CA 0.818 53.880 53.050 0.021 0.000 0.877 91 N CB 0.366 38.850 38.487 -0.005 0.000 1.183 91 N HN 0.043 nan 8.380 nan 0.000 0.443 92 D N -0.631 119.757 120.400 -0.020 0.000 2.350 92 D HA 0.131 4.771 4.640 0.000 0.000 0.213 92 D C -0.368 175.604 176.300 -0.548 0.000 1.031 92 D CA 0.351 54.178 54.000 -0.288 0.000 0.861 92 D CB 0.315 40.864 40.800 -0.418 0.000 0.926 92 D HN 0.127 nan 8.370 nan 0.000 0.520 93 F N 0.683 120.647 119.950 0.022 0.000 2.577 93 F HA 0.399 4.926 4.527 0.000 0.000 0.318 93 F C -1.986 173.834 175.800 0.033 0.000 1.065 93 F CA -2.376 55.639 58.000 0.025 0.000 0.929 93 F CB 1.485 40.505 39.000 0.032 0.000 1.237 93 F HN -0.331 nan 8.300 nan 0.000 0.468 94 P HA 0.373 nan 4.420 nan 0.000 0.279 94 P C -1.134 176.242 177.300 0.126 0.000 1.239 94 P CA -0.336 62.838 63.100 0.124 0.000 0.789 94 P CB 1.206 32.952 31.700 0.077 0.000 0.933 95 A N 2.677 125.560 122.820 0.105 0.000 2.340 95 A HA 0.551 4.871 4.320 0.000 0.000 0.268 95 A C 0.526 178.117 177.584 0.012 0.000 1.100 95 A CA -0.175 51.902 52.037 0.067 0.000 0.803 95 A CB -0.088 18.974 19.000 0.104 0.000 1.043 95 A HN 0.655 nan 8.150 nan 0.000 0.488 96 S N 1.303 116.978 115.700 -0.041 0.000 2.638 96 S HA 0.789 5.259 4.470 0.000 0.000 0.302 96 S C -0.749 173.815 174.600 -0.060 0.000 1.096 96 S CA -0.819 57.355 58.200 -0.042 0.000 0.953 96 S CB 1.601 64.771 63.200 -0.051 0.000 1.107 96 S HN 0.719 nan 8.310 nan 0.000 0.503 97 E N -0.350 119.832 120.200 -0.029 0.000 2.317 97 E HA 0.716 5.066 4.350 0.000 0.000 0.270 97 E C -1.846 174.764 176.600 0.018 0.000 0.885 97 E CA -1.001 55.390 56.400 -0.014 0.000 0.760 97 E CB 2.481 32.178 29.700 -0.005 0.000 1.227 97 E HN 0.418 nan 8.360 nan 0.000 0.434 98 V N 2.464 122.412 119.914 0.057 0.000 2.777 98 V HA 0.247 4.367 4.120 0.000 0.000 0.306 98 V C -1.360 174.843 176.094 0.181 0.000 1.112 98 V CA -0.651 61.714 62.300 0.108 0.000 0.917 98 V CB 2.049 33.912 31.823 0.066 0.000 1.018 98 V HN 0.447 nan 8.190 nan 0.000 0.426 99 V N 6.405 126.416 119.914 0.162 0.000 2.408 99 V HA 0.813 4.933 4.120 0.000 0.000 0.267 99 V C 0.514 176.773 176.094 0.275 0.000 1.047 99 V CA 0.518 62.912 62.300 0.158 0.000 0.937 99 V CB 0.876 32.752 31.823 0.088 0.000 0.999 99 V HN 1.149 nan 8.190 nan 0.000 0.472 100 A N 4.826 127.884 122.820 0.396 0.000 2.455 100 A HA 0.764 5.084 4.320 0.000 0.000 0.300 100 A C -0.806 177.075 177.584 0.494 0.000 1.040 100 A CA -0.575 51.747 52.037 0.475 0.000 0.697 100 A CB 1.709 20.963 19.000 0.423 0.000 1.265 100 A HN 0.530 nan 8.150 nan 0.000 0.407 101 V N 2.486 122.557 119.914 0.261 0.000 2.572 101 V HA 0.152 4.272 4.120 0.000 0.000 0.291 101 V C 0.345 176.542 176.094 0.173 0.000 1.039 101 V CA -0.161 62.116 62.300 -0.038 0.000 1.055 101 V CB 0.857 32.384 31.823 -0.493 0.000 0.969 101 V HN 0.841 nan 8.190 nan 0.000 0.482 102 N N 4.440 123.140 118.700 0.001 0.000 2.424 102 N HA 0.332 5.072 4.740 0.000 0.000 0.271 102 N C -0.828 174.645 175.510 -0.061 0.000 0.985 102 N CA -0.385 52.424 53.050 -0.401 0.000 0.921 102 N CB 1.460 39.682 38.487 -0.442 0.000 1.149 102 N HN 0.828 nan 8.380 nan 0.000 0.492 103 Q N 3.408 123.182 119.800 -0.043 0.000 2.305 103 Q HA 0.351 4.692 4.340 0.000 0.000 0.271 103 Q C -1.041 175.084 176.000 0.208 0.000 1.046 103 Q CA -0.748 55.023 55.803 -0.053 0.000 0.798 103 Q CB 1.461 30.014 28.738 -0.308 0.000 1.286 103 Q HN 0.736 nan 8.270 nan 0.000 0.435 104 C N 2.858 122.235 119.300 0.128 0.000 2.642 104 C HA 0.067 4.527 4.460 0.000 0.000 0.420 104 C C 1.852 177.045 174.990 0.339 0.000 1.349 104 C CA 0.431 59.592 59.018 0.238 0.000 1.821 104 C CB -0.188 27.640 27.740 0.147 0.000 2.637 104 C HN 1.100 nan 8.230 nan 0.000 0.605 105 S N 3.798 119.661 115.700 0.272 0.000 2.399 105 S HA -0.202 4.268 4.470 0.000 0.000 0.235 105 S C 1.676 176.337 174.600 0.102 0.000 1.063 105 S CA 2.137 60.284 58.200 -0.088 0.000 1.070 105 S CB -0.350 62.707 63.200 -0.239 0.000 0.904 105 S HN 1.067 nan 8.310 nan 0.000 0.456 106 G N 0.765 109.721 108.800 0.260 0.000 3.189 106 G HA2 0.105 4.065 3.960 0.000 0.000 0.225 106 G HA3 0.105 4.065 3.960 0.000 0.000 0.225 106 G C 0.171 175.159 174.900 0.147 0.000 1.159 106 G CA -0.458 44.793 45.100 0.251 0.000 0.763 106 G HN 0.361 nan 8.290 nan 0.000 0.549 107 N N 1.305 120.087 118.700 0.137 0.000 2.292 107 N HA -0.008 4.732 4.740 0.000 0.000 0.258 107 N C 1.031 176.637 175.510 0.160 0.000 1.261 107 N CA 1.130 54.242 53.050 0.104 0.000 0.845 107 N CB 0.276 38.809 38.487 0.076 0.000 1.064 107 N HN 0.120 nan 8.380 nan 0.000 0.471 108 S N 0.128 115.942 115.700 0.190 0.000 3.171 108 S HA -0.245 4.226 4.470 0.000 0.000 0.279 108 S C 1.254 175.958 174.600 0.173 0.000 1.294 108 S CA 0.900 59.296 58.200 0.326 0.000 1.077 108 S CB -1.490 61.923 63.200 0.355 0.000 1.298 108 S HN 0.848 nan 8.310 nan 0.000 0.666 109 R N 1.696 122.204 120.500 0.014 0.000 2.105 109 R HA -0.100 4.240 4.340 0.000 0.000 0.239 109 R C 2.323 178.437 176.300 -0.311 0.000 1.135 109 R CA 1.945 57.980 56.100 -0.110 0.000 0.967 109 R CB -0.975 29.257 30.300 -0.112 0.000 0.861 109 R HN 0.503 nan 8.270 nan 0.000 0.442 110 G N -0.326 108.087 108.800 -0.646 0.000 2.501 110 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 110 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 110 G C 0.851 175.084 174.900 -1.112 0.000 1.114 110 G CA 0.465 44.639 45.100 -1.544 0.000 0.757 110 G HN 0.340 nan 8.290 nan 0.000 0.559 111 F N 0.339 120.138 119.950 -0.252 0.000 2.743 111 F HA 0.256 4.783 4.527 0.000 0.000 0.297 111 F C 1.335 177.128 175.800 -0.012 0.000 1.131 111 F CA -0.758 57.224 58.000 -0.031 0.000 1.426 111 F CB -0.124 38.914 39.000 0.063 0.000 1.116 111 F HN -0.217 nan 8.300 nan 0.000 0.583 112 V N 1.360 121.324 119.914 0.084 0.000 2.599 112 V HA 0.007 4.127 4.120 0.000 0.000 0.300 112 V C -0.120 176.068 176.094 0.157 0.000 1.034 112 V CA 0.249 62.617 62.300 0.112 0.000 1.115 112 V CB 0.794 32.617 31.823 0.001 0.000 0.934 112 V HN 0.065 nan 8.190 nan 0.000 0.485 113 E N 6.236 126.581 120.200 0.242 0.000 2.241 113 E HA 0.481 4.831 4.350 0.000 0.000 0.263 113 E C -2.512 174.170 176.600 0.136 0.000 0.882 113 E CA -1.853 54.652 56.400 0.175 0.000 0.769 113 E CB 1.859 31.623 29.700 0.106 0.000 1.185 113 E HN 0.467 nan 8.360 nan 0.000 0.415 114 P HA 0.102 nan 4.420 nan 0.000 0.269 114 P C -0.407 177.050 177.300 0.261 0.000 1.209 114 P CA -0.365 62.786 63.100 0.086 0.000 0.776 114 P CB 0.566 32.245 31.700 -0.035 0.000 0.876 115 R N 0.787 121.364 120.500 0.128 0.000 2.698 115 R HA 0.192 4.532 4.340 0.000 0.000 0.266 115 R C 0.278 176.636 176.300 0.097 0.000 1.026 115 R CA -0.010 56.130 56.100 0.068 0.000 1.102 115 R CB -0.122 30.178 30.300 0.001 0.000 0.978 115 R HN 0.450 nan 8.270 nan 0.000 0.436 116 V N -1.350 118.571 119.914 0.011 0.000 3.001 116 V HA 0.777 4.897 4.120 0.000 0.000 0.314 116 V C 0.514 176.563 176.094 -0.074 0.000 1.099 116 V CA -1.024 61.262 62.300 -0.023 0.000 0.989 116 V CB 1.886 33.628 31.823 -0.136 0.000 1.040 116 V HN 0.759 nan 8.190 nan 0.000 0.434 117 G N -0.075 108.687 108.800 -0.063 0.000 2.569 117 G HA2 0.640 4.601 3.960 0.000 0.000 0.249 117 G HA3 0.640 4.601 3.960 0.000 0.000 0.249 117 G C 0.382 175.233 174.900 -0.081 0.000 1.216 117 G CA 0.385 45.452 45.100 -0.055 0.000 0.845 117 G HN 2.201 nan 8.290 nan 0.000 0.568 118 G N -0.987 107.787 108.800 -0.043 0.000 2.298 118 G HA2 0.472 4.432 3.960 0.000 0.000 0.309 118 G HA3 0.472 4.432 3.960 0.000 0.000 0.309 118 G C 0.167 175.068 174.900 0.002 0.000 1.279 118 G CA 0.051 45.136 45.100 -0.024 0.000 1.042 118 G HN 1.552 nan 8.290 nan 0.000 0.480 119 G N 0.093 108.913 108.800 0.033 0.000 2.367 119 G HA2 0.468 4.428 3.960 0.000 0.000 0.280 119 G HA3 0.468 4.428 3.960 0.000 0.000 0.280 119 G C 0.122 175.026 174.900 0.006 0.000 1.175 119 G CA -0.042 45.090 45.100 0.053 0.000 1.001 119 G HN 0.467 nan 8.290 nan 0.000 0.437 120 Q N 2.711 122.510 119.800 -0.001 0.000 2.664 120 Q HA 0.196 4.536 4.340 0.000 0.000 0.223 120 Q C 0.175 176.187 176.000 0.020 0.000 1.298 120 Q CA 0.161 55.910 55.803 -0.091 0.000 0.965 120 Q CB 0.778 29.478 28.738 -0.064 0.000 1.510 120 Q HN 0.490 nan 8.270 nan 0.000 0.567 121 L N 0.654 121.867 121.223 -0.017 0.000 2.325 121 L HA 0.532 4.872 4.340 0.000 0.000 0.279 121 L C 0.851 177.819 176.870 0.164 0.000 1.054 121 L CA -0.614 54.291 54.840 0.108 0.000 0.804 121 L CB 1.235 43.340 42.059 0.077 0.000 1.200 121 L HN 0.431 nan 8.230 nan 0.000 0.436 122 A N 2.455 125.481 122.820 0.343 0.000 2.790 122 A HA 0.198 4.518 4.320 0.000 0.000 0.225 122 A C 0.830 178.650 177.584 0.393 0.000 1.904 122 A CA -0.099 52.210 52.037 0.452 0.000 0.878 122 A CB -0.026 19.208 19.000 0.390 0.000 1.774 122 A HN 0.801 nan 8.150 nan 0.000 0.714 123 N N -0.000 118.925 118.700 0.375 0.000 2.314 123 N HA 0.060 4.800 4.740 0.000 0.000 0.200 123 N C 0.974 176.524 175.510 0.066 0.000 1.135 123 N CA 0.807 53.957 53.050 0.166 0.000 0.835 123 N CB 0.226 38.690 38.487 -0.038 0.000 0.989 123 N HN 0.612 nan 8.380 nan 0.000 0.478 124 G N -0.252 108.649 108.800 0.169 0.000 3.233 124 G HA2 0.194 4.154 3.960 0.000 0.000 0.227 124 G HA3 0.194 4.154 3.960 0.000 0.000 0.227 124 G C 0.599 175.477 174.900 -0.036 0.000 1.175 124 G CA -0.100 45.138 45.100 0.230 0.000 0.781 124 G HN 0.252 nan 8.290 nan 0.000 0.542 125 A N 1.100 123.756 122.820 -0.274 0.000 3.260 125 A HA 0.693 5.013 4.320 0.000 0.000 0.268 125 A C 0.272 177.077 177.584 -1.299 0.000 1.491 125 A CA -0.435 51.039 52.037 -0.939 0.000 1.181 125 A CB -0.828 17.862 19.000 -0.517 0.000 1.137 125 A HN 0.524 nan 8.150 nan 0.000 0.642 126 M N -1.589 117.458 119.600 -0.922 0.000 2.578 126 M HA 0.832 5.312 4.480 0.000 0.000 0.276 126 M C -0.434 175.770 176.300 -0.160 0.000 1.245 126 M CA -0.457 54.559 55.300 -0.473 0.000 0.871 126 M CB 1.875 34.301 32.600 -0.290 0.000 1.722 126 M HN 0.418 nan 8.290 nan 0.000 0.473 127 G N 1.082 109.777 108.800 -0.174 0.000 2.632 127 G HA2 0.501 4.461 3.960 0.000 0.000 0.292 127 G HA3 0.501 4.461 3.960 0.000 0.000 0.292 127 G C -2.696 172.059 174.900 -0.242 0.000 1.465 127 G CA -0.672 44.210 45.100 -0.364 0.000 0.824 127 G HN 0.886 nan 8.290 nan 0.000 0.509 128 N N -0.417 118.130 118.700 -0.255 0.000 2.346 128 N HA 0.785 5.525 4.740 0.000 0.000 0.289 128 N C -0.371 175.148 175.510 0.015 0.000 1.027 128 N CA 0.052 52.908 53.050 -0.323 0.000 0.864 128 N CB 1.924 39.827 38.487 -0.974 0.000 1.370 128 N HN 0.988 nan 8.380 nan 0.000 0.481 129 A N 2.656 125.453 122.820 -0.038 0.000 2.556 129 A HA 0.619 4.939 4.320 0.000 0.000 0.294 129 A C -0.895 176.327 177.584 -0.603 0.000 1.091 129 A CA -0.830 50.938 52.037 -0.448 0.000 0.704 129 A CB 1.240 19.612 19.000 -1.048 0.000 1.300 129 A HN 0.706 nan 8.150 nan 0.000 0.406 130 R N 1.027 121.218 120.500 -0.514 0.000 2.242 130 R HA 0.348 4.688 4.340 0.000 0.000 0.334 130 R C -1.588 174.427 176.300 -0.476 0.000 1.071 130 R CA -0.050 55.849 56.100 -0.335 0.000 0.922 130 R CB 0.261 30.451 30.300 -0.183 0.000 1.023 130 R HN 0.635 nan 8.270 nan 0.000 0.458 131 W N 4.358 125.607 121.300 -0.085 0.000 2.469 131 W HA 0.437 5.097 4.660 0.000 0.000 0.320 131 W C 0.236 176.644 176.519 -0.185 0.000 1.086 131 W CA -0.799 56.456 57.345 -0.150 0.000 1.211 131 W CB 1.116 30.465 29.460 -0.185 0.000 1.298 131 W HN 0.344 nan 8.180 nan 0.000 0.525 132 R N 1.911 122.393 120.500 -0.030 0.000 2.621 132 R HA 0.813 5.153 4.340 0.000 0.000 0.292 132 R C -0.090 175.887 176.300 -0.538 0.000 0.969 132 R CA -0.329 55.659 56.100 -0.186 0.000 0.887 132 R CB 1.606 31.840 30.300 -0.109 0.000 1.180 132 R HN 0.782 nan 8.270 nan 0.000 0.450 133 G N 1.233 109.670 108.800 -0.606 0.000 2.356 133 G HA2 0.213 4.174 3.960 0.000 0.000 0.281 133 G HA3 0.213 4.174 3.960 0.000 0.000 0.281 133 G C -1.845 172.810 174.900 -0.408 0.000 1.246 133 G CA -0.496 44.041 45.100 -0.940 0.000 0.889 133 G HN 0.407 nan 8.290 nan 0.000 0.486 134 V N 2.121 121.860 119.914 -0.291 0.000 2.398 134 V HA 0.493 4.613 4.120 0.000 0.000 0.286 134 V C -2.174 173.799 176.094 -0.201 0.000 1.026 134 V CA -1.417 60.785 62.300 -0.163 0.000 0.868 134 V CB 1.739 33.461 31.823 -0.168 0.000 0.982 134 V HN 0.500 nan 8.190 nan 0.000 0.443 135 P HA 0.022 nan 4.420 nan 0.000 0.263 135 P C 0.723 177.922 177.300 -0.170 0.000 1.195 135 P CA -0.095 62.910 63.100 -0.158 0.000 0.762 135 P CB 0.619 32.261 31.700 -0.097 0.000 0.799 136 L N 5.625 126.730 121.223 -0.198 0.000 2.089 136 L HA -0.234 4.106 4.340 0.000 0.000 0.213 136 L C 2.193 178.991 176.870 -0.119 0.000 1.079 136 L CA 1.973 56.712 54.840 -0.168 0.000 0.758 136 L CB -0.959 41.003 42.059 -0.161 0.000 0.891 136 L HN 0.338 nan 8.230 nan 0.000 0.433 137 K N -0.831 119.509 120.400 -0.100 0.000 2.107 137 K HA -0.279 4.041 4.320 0.000 0.000 0.211 137 K C 1.870 178.454 176.600 -0.026 0.000 1.049 137 K CA 1.881 58.134 56.287 -0.058 0.000 0.927 137 K CB -0.270 32.201 32.500 -0.049 0.000 0.714 137 K HN 0.504 nan 8.250 nan 0.000 0.452 138 A N 0.224 123.034 122.820 -0.017 0.000 1.930 138 A HA -0.028 4.292 4.320 0.000 0.000 0.215 138 A C 2.185 179.837 177.584 0.114 0.000 1.176 138 A CA 1.144 53.227 52.037 0.077 0.000 0.632 138 A CB -0.233 18.857 19.000 0.150 0.000 0.819 138 A HN 0.179 nan 8.150 nan 0.000 0.445 139 V N 0.186 120.044 119.914 -0.093 0.000 2.358 139 V HA -0.206 3.914 4.120 0.000 0.000 0.246 139 V C 2.518 178.602 176.094 -0.017 0.000 1.047 139 V CA 1.742 63.954 62.300 -0.147 0.000 1.035 139 V CB -0.665 30.950 31.823 -0.346 0.000 0.658 139 V HN 0.557 nan 8.190 nan 0.000 0.452 140 L N -0.068 121.131 121.223 -0.039 0.000 2.093 140 L HA -0.188 4.152 4.340 0.000 0.000 0.208 140 L C 2.579 179.449 176.870 -0.000 0.000 1.085 140 L CA 1.921 56.744 54.840 -0.029 0.000 0.755 140 L CB -0.506 41.525 42.059 -0.048 0.000 0.904 140 L HN 0.467 nan 8.230 nan 0.000 0.435 141 E N 0.915 121.127 120.200 0.020 0.000 2.077 141 E HA -0.300 4.050 4.350 0.000 0.000 0.193 141 E C 2.149 178.776 176.600 0.045 0.000 0.989 141 E CA 1.447 57.864 56.400 0.029 0.000 0.800 141 E CB 0.119 29.840 29.700 0.035 0.000 0.746 141 E HN 0.195 nan 8.360 nan 0.000 0.452 142 K N 0.833 121.287 120.400 0.090 0.000 2.032 142 K HA -0.113 4.207 4.320 0.000 0.000 0.209 142 K C 1.870 178.506 176.600 0.060 0.000 1.048 142 K CA 1.717 58.063 56.287 0.099 0.000 0.927 142 K CB -0.584 32.048 32.500 0.222 0.000 0.712 142 K HN 0.189 nan 8.250 nan 0.000 0.441 143 A N -0.033 122.815 122.820 0.047 0.000 1.933 143 A HA 0.146 4.466 4.320 0.000 0.000 0.218 143 A C 1.161 178.747 177.584 0.003 0.000 1.175 143 A CA 1.202 53.248 52.037 0.016 0.000 0.628 143 A CB -1.046 17.950 19.000 -0.007 0.000 0.814 143 A HN 0.739 nan 8.150 nan 0.000 0.444 144 G N -0.894 107.907 108.800 0.002 0.000 2.828 144 G HA2 0.006 3.966 3.960 0.000 0.000 0.262 144 G HA3 0.006 3.966 3.960 0.000 0.000 0.262 144 G C -0.302 174.589 174.900 -0.014 0.000 1.033 144 G CA -0.274 44.824 45.100 -0.004 0.000 1.248 144 G HN 0.940 nan 8.290 nan 0.000 0.551 145 V N 2.764 122.667 119.914 -0.018 0.000 2.599 145 V HA 0.122 4.242 4.120 0.000 0.000 0.300 145 V C 1.184 177.266 176.094 -0.020 0.000 1.034 145 V CA 0.404 62.688 62.300 -0.026 0.000 1.115 145 V CB 1.007 32.813 31.823 -0.030 0.000 0.934 145 V HN 0.733 nan 8.190 nan 0.000 0.485 146 Q N 2.858 122.644 119.800 -0.022 0.000 2.293 146 Q HA 0.560 4.901 4.340 0.000 0.000 0.251 146 Q C 0.345 176.336 176.000 -0.015 0.000 0.930 146 Q CA -0.445 55.348 55.803 -0.017 0.000 0.893 146 Q CB 1.153 29.881 28.738 -0.017 0.000 1.215 146 Q HN 0.918 nan 8.270 nan 0.000 0.425 147 A N 1.273 124.087 122.820 -0.010 0.000 2.531 147 A HA 0.374 4.694 4.320 0.000 0.000 0.236 147 A C 1.203 178.782 177.584 -0.008 0.000 1.062 147 A CA 0.908 52.940 52.037 -0.008 0.000 0.760 147 A CB -0.457 18.540 19.000 -0.005 0.000 0.995 147 A HN 0.998 nan 8.150 nan 0.000 0.501 148 G N 0.793 109.590 108.800 -0.006 0.000 2.397 148 G HA2 0.172 4.132 3.960 0.000 0.000 0.211 148 G HA3 0.172 4.132 3.960 0.000 0.000 0.211 148 G C 0.841 175.737 174.900 -0.007 0.000 1.077 148 G CA 0.414 45.511 45.100 -0.005 0.000 0.649 148 G HN 2.395 nan 8.290 nan 0.000 0.511 149 A N 0.792 123.604 122.820 -0.014 0.000 2.591 149 A HA 0.422 4.742 4.320 0.000 0.000 0.244 149 A C 1.277 178.853 177.584 -0.013 0.000 1.031 149 A CA 1.796 53.821 52.037 -0.021 0.000 0.767 149 A CB 0.104 19.085 19.000 -0.031 0.000 0.942 149 A HN 0.579 nan 8.150 nan 0.000 0.514 150 K N 0.975 121.369 120.400 -0.010 0.000 2.380 150 K HA 0.131 4.451 4.320 0.000 0.000 0.200 150 K C 0.368 176.968 176.600 0.001 0.000 1.201 150 K CA 0.513 56.801 56.287 0.003 0.000 0.916 150 K CB 0.446 32.956 32.500 0.017 0.000 1.187 150 K HN 0.875 nan 8.250 nan 0.000 0.498 151 Q N 0.613 120.403 119.800 -0.017 0.000 2.501 151 Q HA 0.446 4.786 4.340 0.000 0.000 0.288 151 Q C -1.440 174.490 176.000 -0.118 0.000 1.051 151 Q CA -0.809 54.976 55.803 -0.031 0.000 0.788 151 Q CB 3.302 32.050 28.738 0.017 0.000 1.469 151 Q HN -0.166 nan 8.270 nan 0.000 0.416 152 V N 1.068 120.872 119.914 -0.182 0.000 2.487 152 V HA 0.443 4.564 4.120 0.000 0.000 0.298 152 V C -0.031 175.665 176.094 -0.663 0.000 1.028 152 V CA -0.717 61.324 62.300 -0.431 0.000 0.860 152 V CB 1.495 33.045 31.823 -0.454 0.000 0.991 152 V HN 0.938 nan 8.190 nan 0.000 0.427 153 T N 1.449 115.545 114.554 -0.764 0.000 2.907 153 T HA 0.798 5.149 4.350 0.000 0.000 0.284 153 T C -0.913 173.220 174.700 -0.945 0.000 1.004 153 T CA -0.367 61.257 62.100 -0.793 0.000 1.063 153 T CB 1.070 69.409 68.868 -0.881 0.000 0.992 153 T HN 0.232 nan 8.240 nan 0.000 0.483 154 F N 0.486 120.280 119.950 -0.261 0.000 2.539 154 F HA 0.696 5.223 4.527 0.000 0.000 0.318 154 F C 0.610 176.337 175.800 -0.122 0.000 1.135 154 F CA -0.738 57.163 58.000 -0.166 0.000 0.915 154 F CB 2.507 41.424 39.000 -0.138 0.000 1.176 154 F HN 1.065 nan 8.300 nan 0.000 0.440 155 G N 0.457 109.304 108.800 0.077 0.000 2.563 155 G HA2 0.676 4.636 3.960 0.000 0.000 0.302 155 G HA3 0.676 4.636 3.960 0.000 0.000 0.302 155 G C -0.975 174.001 174.900 0.127 0.000 1.301 155 G CA -0.821 44.333 45.100 0.090 0.000 0.965 155 G HN 0.933 nan 8.290 nan 0.000 0.480 156 G N -0.977 107.926 108.800 0.172 0.000 3.108 156 G HA2 0.478 4.438 3.960 0.000 0.000 0.268 156 G HA3 0.478 4.438 3.960 0.000 0.000 0.268 156 G C 0.691 175.692 174.900 0.168 0.000 1.361 156 G CA -0.799 44.416 45.100 0.193 0.000 1.047 156 G HN 0.538 nan 8.290 nan 0.000 0.540 157 L N 0.326 121.663 121.223 0.189 0.000 2.313 157 L HA 0.097 4.437 4.340 0.000 0.000 0.214 157 L C 0.995 177.908 176.870 0.072 0.000 1.119 157 L CA 0.300 55.206 54.840 0.111 0.000 0.809 157 L CB -0.423 41.691 42.059 0.092 0.000 0.933 157 L HN 0.568 nan 8.230 nan 0.000 0.449 158 D N 0.427 120.887 120.400 0.099 0.000 2.361 158 D HA 0.331 4.971 4.640 0.000 0.000 0.239 158 D C 0.204 176.559 176.300 0.092 0.000 1.200 158 D CA 0.148 54.185 54.000 0.062 0.000 0.915 158 D CB 1.474 42.321 40.800 0.079 0.000 1.170 158 D HN 0.023 nan 8.370 nan 0.000 0.444 159 G N -0.884 107.959 108.800 0.072 0.000 2.677 159 G HA2 0.512 4.472 3.960 0.000 0.000 0.291 159 G HA3 0.512 4.472 3.960 0.000 0.000 0.291 159 G C -3.158 171.799 174.900 0.094 0.000 1.435 159 G CA -1.288 43.871 45.100 0.098 0.000 0.826 159 G HN 0.460 nan 8.290 nan 0.000 0.491 160 P HA 0.204 nan 4.420 nan 0.000 0.275 160 P C 1.080 178.426 177.300 0.077 0.000 1.227 160 P CA -0.253 62.917 63.100 0.117 0.000 0.781 160 P CB 2.069 33.853 31.700 0.141 0.000 0.906 161 V N 3.229 123.183 119.914 0.066 0.000 2.407 161 V HA -0.150 3.970 4.120 0.000 0.000 0.248 161 V C 1.396 177.516 176.094 0.044 0.000 1.055 161 V CA 1.622 63.950 62.300 0.047 0.000 1.049 161 V CB -0.466 31.383 31.823 0.042 0.000 0.662 161 V HN 0.480 nan 8.190 nan 0.000 0.455 162 I N 0.173 120.771 120.570 0.048 0.000 2.355 162 I HA 0.240 4.410 4.170 0.000 0.000 0.288 162 I C -1.535 174.608 176.117 0.043 0.000 0.999 162 I CA -1.797 59.525 61.300 0.038 0.000 1.163 162 I CB 2.055 40.072 38.000 0.029 0.000 1.316 162 I HN 0.063 nan 8.210 nan 0.000 0.454 163 P HA -0.185 nan 4.420 nan 0.000 0.218 163 P C 0.922 178.246 177.300 0.039 0.000 1.146 163 P CA 1.333 64.459 63.100 0.043 0.000 0.813 163 P CB 0.200 31.921 31.700 0.034 0.000 0.778 164 E N -1.182 119.031 120.200 0.022 0.000 2.204 164 E HA -0.048 4.302 4.350 0.000 0.000 0.194 164 E C 0.304 176.898 176.600 -0.009 0.000 0.989 164 E CA 0.633 57.036 56.400 0.005 0.000 0.824 164 E CB -0.567 29.128 29.700 -0.008 0.000 0.756 164 E HN 0.267 nan 8.360 nan 0.000 0.477 165 T N 3.527 118.086 114.554 0.008 0.000 2.928 165 T HA 0.085 4.435 4.350 0.000 0.000 0.305 165 T C -2.371 172.362 174.700 0.054 0.000 1.035 165 T CA -1.108 60.992 62.100 -0.000 0.000 1.145 165 T CB 0.652 69.555 68.868 0.058 0.000 0.963 165 T HN -0.055 nan 8.240 nan 0.000 0.545 166 P HA 0.144 nan 4.420 nan 0.000 0.267 166 P C -0.223 177.375 177.300 0.497 0.000 1.209 166 P CA -0.338 62.854 63.100 0.153 0.000 0.763 166 P CB 0.374 32.028 31.700 -0.077 0.000 0.816 167 D N 2.133 122.776 120.400 0.405 0.000 2.399 167 D HA 0.021 4.661 4.640 0.000 0.000 0.241 167 D C -0.759 175.846 176.300 0.508 0.000 1.133 167 D CA -0.329 53.910 54.000 0.398 0.000 0.890 167 D CB 0.203 41.158 40.800 0.260 0.000 1.201 167 D HN 0.149 nan 8.370 nan 0.000 0.432 168 F N 3.950 123.987 119.950 0.146 0.000 2.468 168 F HA 0.280 4.807 4.527 0.000 0.000 0.356 168 F C -0.773 175.060 175.800 0.055 0.000 1.167 168 F CA -0.144 57.750 58.000 -0.177 0.000 1.135 168 F CB 0.116 38.879 39.000 -0.396 0.000 1.197 168 F HN -0.023 nan 8.300 nan 0.000 0.569 169 V N 6.286 126.091 119.914 -0.182 0.000 2.686 169 V HA 0.467 4.587 4.120 0.000 0.000 0.306 169 V C -0.508 175.533 176.094 -0.089 0.000 1.065 169 V CA -1.032 61.228 62.300 -0.068 0.000 0.894 169 V CB 1.920 33.824 31.823 0.136 0.000 1.004 169 V HN 0.431 nan 8.190 nan 0.000 0.424 170 K N 2.372 122.688 120.400 -0.140 0.000 2.295 170 K HA 0.952 5.272 4.320 0.000 0.000 0.239 170 K C -0.527 176.134 176.600 0.101 0.000 0.991 170 K CA -0.672 55.610 56.287 -0.008 0.000 0.845 170 K CB 2.656 35.114 32.500 -0.071 0.000 1.197 170 K HN 0.835 nan 8.250 nan 0.000 0.441 171 A N 1.726 124.699 122.820 0.256 0.000 2.449 171 A HA 0.749 5.069 4.320 0.000 0.000 0.302 171 A C -1.078 176.684 177.584 0.297 0.000 1.048 171 A CA -0.706 51.457 52.037 0.210 0.000 0.708 171 A CB 0.944 20.052 19.000 0.180 0.000 1.274 171 A HN 0.523 nan 8.150 nan 0.000 0.410 172 L N 1.326 122.691 121.223 0.237 0.000 2.319 172 L HA 0.599 4.940 4.340 0.000 0.000 0.267 172 L C 0.945 177.846 176.870 0.051 0.000 1.011 172 L CA -0.868 54.008 54.840 0.061 0.000 0.818 172 L CB 2.192 44.177 42.059 -0.123 0.000 1.316 172 L HN 0.892 nan 8.230 nan 0.000 0.432 173 S N 0.437 116.169 115.700 0.054 0.000 2.585 173 S HA 0.069 4.539 4.470 0.000 0.000 0.273 173 S C 0.962 175.577 174.600 0.025 0.000 1.339 173 S CA -0.446 57.783 58.200 0.050 0.000 1.028 173 S CB 0.900 64.138 63.200 0.064 0.000 0.906 173 S HN 0.558 nan 8.310 nan 0.000 0.528 174 I N 1.454 122.028 120.570 0.006 0.000 2.208 174 I HA -0.148 4.023 4.170 0.000 0.000 0.245 174 I C 1.548 177.664 176.117 -0.002 0.000 1.097 174 I CA 1.809 63.101 61.300 -0.013 0.000 1.363 174 I CB -0.655 37.333 38.000 -0.021 0.000 1.051 174 I HN 0.758 nan 8.210 nan 0.000 0.413 175 D N -1.117 119.292 120.400 0.016 0.000 2.178 175 D HA -0.216 4.424 4.640 0.000 0.000 0.202 175 D C 2.021 178.346 176.300 0.042 0.000 0.974 175 D CA 1.353 55.363 54.000 0.017 0.000 0.841 175 D CB -0.387 40.421 40.800 0.013 0.000 0.953 175 D HN 0.612 nan 8.370 nan 0.000 0.478 176 H N 0.273 119.288 119.070 -0.091 0.000 2.299 176 H HA -0.005 4.551 4.556 0.000 0.000 0.302 176 H C 1.977 177.202 175.328 -0.172 0.000 1.078 176 H CA 1.162 57.114 56.048 -0.159 0.000 1.323 176 H CB 0.298 29.921 29.762 -0.232 0.000 1.381 176 H HN 0.075 nan 8.280 nan 0.000 0.498 177 A N 0.188 122.939 122.820 -0.115 0.000 1.978 177 A HA -0.156 4.165 4.320 0.000 0.000 0.220 177 A C 2.204 179.724 177.584 -0.108 0.000 1.170 177 A CA 1.927 53.870 52.037 -0.158 0.000 0.636 177 A CB -0.768 18.215 19.000 -0.030 0.000 0.810 177 A HN 0.664 nan 8.150 nan 0.000 0.448 178 T N -2.038 112.480 114.554 -0.060 0.000 3.206 178 T HA 0.119 4.469 4.350 0.000 0.000 0.253 178 T C 0.805 175.481 174.700 -0.040 0.000 1.042 178 T CA 0.594 62.665 62.100 -0.049 0.000 0.931 178 T CB -0.016 68.833 68.868 -0.031 0.000 1.029 178 T HN 0.557 nan 8.240 nan 0.000 0.564 179 D N 1.138 121.514 120.400 -0.040 0.000 2.347 179 D HA 0.130 4.770 4.640 0.000 0.000 0.215 179 D C 1.824 178.101 176.300 -0.039 0.000 0.976 179 D CA 0.891 54.876 54.000 -0.024 0.000 0.884 179 D CB -0.738 40.065 40.800 0.006 0.000 0.915 179 D HN 0.554 nan 8.370 nan 0.000 0.526 180 G N 0.355 109.115 108.800 -0.066 0.000 2.268 180 G HA2 -0.349 3.611 3.960 0.000 0.000 0.240 180 G HA3 -0.349 3.611 3.960 0.000 0.000 0.240 180 G C 1.064 175.908 174.900 -0.093 0.000 1.010 180 G CA 0.397 45.458 45.100 -0.066 0.000 0.618 180 G HN 0.484 nan 8.290 nan 0.000 0.516 181 E N -0.047 120.085 120.200 -0.113 0.000 2.127 181 E HA 0.248 4.598 4.350 0.000 0.000 0.191 181 E C 0.987 177.406 176.600 -0.302 0.000 0.964 181 E CA 0.418 56.718 56.400 -0.167 0.000 0.832 181 E CB 0.338 29.960 29.700 -0.130 0.000 0.790 181 E HN 0.340 nan 8.360 nan 0.000 0.465 182 V N 3.385 123.097 119.914 -0.337 0.000 2.584 182 V HA -0.071 4.049 4.120 0.000 0.000 0.303 182 V C 0.124 175.967 176.094 -0.418 0.000 1.035 182 V CA 0.890 62.902 62.300 -0.480 0.000 1.172 182 V CB -0.009 31.493 31.823 -0.536 0.000 0.896 182 V HN 0.243 nan 8.190 nan 0.000 0.486 183 M N 6.081 125.377 119.600 -0.506 0.000 2.530 183 M HA 0.543 5.023 4.480 0.000 0.000 0.307 183 M C -1.274 174.763 176.300 -0.438 0.000 1.161 183 M CA -0.797 54.248 55.300 -0.424 0.000 0.903 183 M CB 1.981 34.330 32.600 -0.418 0.000 1.711 183 M HN 0.452 nan 8.290 nan 0.000 0.451 184 L N 4.214 125.230 121.223 -0.344 0.000 2.302 184 L HA 0.487 4.827 4.340 0.000 0.000 0.285 184 L C -0.031 176.645 176.870 -0.323 0.000 1.090 184 L CA -0.592 54.071 54.840 -0.295 0.000 0.866 184 L CB 0.508 42.439 42.059 -0.213 0.000 1.244 184 L HN 0.768 nan 8.230 nan 0.000 0.435 185 A N 2.831 125.449 122.820 -0.337 0.000 2.276 185 A HA 0.408 4.729 4.320 0.000 0.000 0.300 185 A C 0.055 177.515 177.584 -0.206 0.000 1.235 185 A CA -0.407 51.439 52.037 -0.318 0.000 0.867 185 A CB 0.117 18.998 19.000 -0.198 0.000 1.137 185 A HN 0.708 nan 8.150 nan 0.000 0.527 186 Y N 1.124 121.375 120.300 -0.081 0.000 2.467 186 Y HA 0.508 5.058 4.550 0.000 0.000 0.250 186 Y C 0.548 176.420 175.900 -0.047 0.000 1.155 186 Y CA -0.488 57.549 58.100 -0.105 0.000 1.249 186 Y CB -0.287 38.099 38.460 -0.123 0.000 1.146 186 Y HN 0.462 nan 8.280 nan 0.000 0.524 187 S N 1.551 117.286 115.700 0.059 0.000 2.547 187 S HA 0.696 5.166 4.470 0.000 0.000 0.281 187 S C -1.255 173.343 174.600 -0.004 0.000 1.118 187 S CA -0.724 57.526 58.200 0.082 0.000 0.947 187 S CB 1.328 64.606 63.200 0.130 0.000 1.053 187 S HN 0.394 nan 8.310 nan 0.000 0.482 188 M N 4.703 124.247 119.600 -0.092 0.000 2.204 188 M HA 0.456 4.936 4.480 0.000 0.000 0.293 188 M C -0.672 175.447 176.300 -0.301 0.000 0.994 188 M CA -0.152 54.940 55.300 -0.348 0.000 0.925 188 M CB 0.890 33.230 32.600 -0.434 0.000 1.577 188 M HN 0.836 nan 8.290 nan 0.000 0.439 189 N N 3.565 122.055 118.700 -0.350 0.000 2.716 189 N HA -0.191 4.549 4.740 0.000 0.000 0.250 189 N C 0.643 176.081 175.510 -0.119 0.000 1.033 189 N CA 1.717 54.636 53.050 -0.218 0.000 0.727 189 N CB -1.478 36.888 38.487 -0.202 0.000 0.950 189 N HN 1.223 nan 8.380 nan 0.000 0.541 190 G N -2.630 106.116 108.800 -0.090 0.000 2.155 190 G HA2 -0.083 3.877 3.960 0.000 0.000 0.257 190 G HA3 -0.083 3.877 3.960 0.000 0.000 0.257 190 G C 0.197 175.089 174.900 -0.013 0.000 0.983 190 G CA 1.000 46.079 45.100 -0.035 0.000 0.676 190 G HN 1.176 nan 8.290 nan 0.000 0.528 191 A N -0.819 121.988 122.820 -0.022 0.000 2.435 191 A HA 0.734 5.054 4.320 0.000 0.000 0.296 191 A C -0.195 177.411 177.584 0.037 0.000 1.147 191 A CA -0.304 51.736 52.037 0.006 0.000 0.775 191 A CB 1.000 19.994 19.000 -0.011 0.000 1.340 191 A HN 0.110 nan 8.150 nan 0.000 0.427 192 D N 0.607 121.052 120.400 0.075 0.000 2.400 192 D HA 0.268 4.908 4.640 0.000 0.000 0.238 192 D C 0.219 176.597 176.300 0.130 0.000 1.157 192 D CA 0.462 54.547 54.000 0.143 0.000 0.889 192 D CB 0.274 41.211 40.800 0.227 0.000 1.199 192 D HN 0.407 nan 8.370 nan 0.000 0.436 193 L N 2.944 124.267 121.223 0.166 0.000 2.540 193 L HA 0.069 4.409 4.340 0.000 0.000 0.276 193 L C -1.849 175.105 176.870 0.140 0.000 1.212 193 L CA -1.288 53.617 54.840 0.108 0.000 0.893 193 L CB -0.244 41.852 42.059 0.063 0.000 1.138 193 L HN 0.134 nan 8.230 nan 0.000 0.491 194 P HA -0.157 nan 4.420 nan 0.000 0.266 194 P C 0.382 177.804 177.300 0.203 0.000 1.193 194 P CA -0.002 63.166 63.100 0.113 0.000 0.770 194 P CB 0.426 32.169 31.700 0.072 0.000 0.836 195 W N 3.359 124.711 121.300 0.087 0.000 2.301 195 W HA -0.213 4.447 4.660 0.000 0.000 0.325 195 W C 1.260 177.948 176.519 0.281 0.000 1.250 195 W CA 1.765 59.226 57.345 0.194 0.000 1.261 195 W CB -0.665 28.871 29.460 0.126 0.000 1.157 195 W HN 0.257 nan 8.180 nan 0.000 0.473 196 L N 0.391 121.915 121.223 0.501 0.000 2.551 196 L HA -0.121 4.220 4.340 0.000 0.000 0.228 196 L C 0.687 177.604 176.870 0.078 0.000 1.153 196 L CA 0.816 55.916 54.840 0.434 0.000 0.851 196 L CB -0.768 41.494 42.059 0.338 0.000 0.959 196 L HN -0.012 nan 8.230 nan 0.000 0.451 197 N N -0.158 118.546 118.700 0.005 0.000 2.251 197 N HA 0.203 4.943 4.740 0.000 0.000 0.217 197 N C 0.934 176.319 175.510 -0.209 0.000 1.124 197 N CA 0.540 53.502 53.050 -0.147 0.000 0.843 197 N CB 0.980 39.390 38.487 -0.128 0.000 1.024 197 N HN 0.233 nan 8.380 nan 0.000 0.501 198 G N 0.340 108.949 108.800 -0.318 0.000 2.148 198 G HA2 -0.322 3.638 3.960 0.000 0.000 0.203 198 G HA3 -0.322 3.638 3.960 0.000 0.000 0.203 198 G C -0.179 174.436 174.900 -0.476 0.000 0.993 198 G CA -0.648 44.021 45.100 -0.719 0.000 0.661 198 G HN 0.437 nan 8.290 nan 0.000 0.518 199 Y N 1.956 122.053 120.300 -0.339 0.000 3.083 199 Y HA 0.144 4.694 4.550 0.000 0.000 0.350 199 Y C -0.629 175.050 175.900 -0.368 0.000 1.266 199 Y CA 0.784 58.683 58.100 -0.335 0.000 1.594 199 Y CB 0.862 39.097 38.460 -0.374 0.000 1.179 199 Y HN 0.135 nan 8.280 nan 0.000 0.602 200 P HA 0.128 nan 4.420 nan 0.000 0.267 200 P C -0.954 175.931 177.300 -0.692 0.000 1.289 200 P CA 0.429 62.675 63.100 -1.423 0.000 0.866 200 P CB 0.701 31.424 31.700 -1.630 0.000 1.309 201 L N 0.499 121.411 121.223 -0.517 0.000 2.513 201 L HA 0.512 4.853 4.340 0.000 0.000 0.261 201 L C -0.991 175.750 176.870 -0.214 0.000 0.945 201 L CA -0.784 53.889 54.840 -0.278 0.000 0.848 201 L CB 2.216 44.157 42.059 -0.197 0.000 1.334 201 L HN -0.104 nan 8.230 nan 0.000 0.407 202 R N 3.281 123.656 120.500 -0.207 0.000 2.774 202 R HA 0.744 5.084 4.340 0.000 0.000 0.272 202 R C -1.761 174.350 176.300 -0.314 0.000 1.000 202 R CA -1.024 54.934 56.100 -0.237 0.000 0.906 202 R CB 1.512 31.655 30.300 -0.261 0.000 1.227 202 R HN 0.468 nan 8.270 nan 0.000 0.468 203 L N 1.960 122.969 121.223 -0.356 0.000 2.367 203 L HA 0.337 4.677 4.340 0.000 0.000 0.275 203 L C -0.990 175.418 176.870 -0.771 0.000 1.129 203 L CA -0.020 54.490 54.840 -0.550 0.000 0.839 203 L CB 1.528 43.197 42.059 -0.650 0.000 1.133 203 L HN 0.513 nan 8.230 nan 0.000 0.453 204 V N 5.972 125.263 119.914 -1.038 0.000 2.409 204 V HA 0.398 4.518 4.120 0.000 0.000 0.291 204 V C -0.533 174.579 176.094 -1.636 0.000 1.020 204 V CA -0.595 60.657 62.300 -1.745 0.000 0.848 204 V CB 1.868 32.772 31.823 -1.531 0.000 0.990 204 V HN 0.472 nan 8.190 nan 0.000 0.430 205 V N 7.274 125.900 119.914 -2.146 0.000 2.266 205 V HA 0.301 4.422 4.120 0.000 0.000 0.266 205 V C -2.481 173.198 176.094 -0.691 0.000 1.036 205 V CA -1.907 59.710 62.300 -1.139 0.000 0.828 205 V CB 1.159 32.504 31.823 -0.796 0.000 1.081 205 V HN 0.703 nan 8.190 nan 0.000 0.449 206 P HA 0.204 nan 4.420 nan 0.000 0.264 206 P C 1.177 178.239 177.300 -0.396 0.000 1.193 206 P CA 1.458 64.147 63.100 -0.683 0.000 0.763 206 P CB 0.729 31.545 31.700 -1.473 0.000 0.810 207 G N 1.075 109.802 108.800 -0.122 0.000 2.179 207 G HA2 -0.265 3.696 3.960 0.000 0.000 0.260 207 G HA3 -0.265 3.696 3.960 0.000 0.000 0.260 207 G C -0.310 174.157 174.900 -0.721 0.000 0.977 207 G CA -0.228 44.763 45.100 -0.182 0.000 0.641 207 G HN 0.432 nan 8.290 nan 0.000 0.533 208 Y N -0.295 119.631 120.300 -0.622 0.000 2.420 208 Y HA 0.672 5.222 4.550 0.000 0.000 0.334 208 Y C 0.808 176.540 175.900 -0.280 0.000 1.094 208 Y CA -1.677 56.189 58.100 -0.389 0.000 1.126 208 Y CB 0.708 39.130 38.460 -0.064 0.000 1.217 208 Y HN 0.157 nan 8.280 nan 0.000 0.462 209 Y N 0.577 120.948 120.300 0.118 0.000 2.683 209 Y HA 0.057 4.607 4.550 0.000 0.000 0.340 209 Y C 1.664 177.684 175.900 0.200 0.000 1.245 209 Y CA 1.108 59.390 58.100 0.303 0.000 1.485 209 Y CB 0.551 39.159 38.460 0.246 0.000 1.328 209 Y HN 0.882 nan 8.280 nan 0.000 0.603 210 G N 0.345 109.239 108.800 0.156 0.000 2.462 210 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 210 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 210 G C 1.694 176.571 174.900 -0.038 0.000 1.121 210 G CA 1.366 46.353 45.100 -0.188 0.000 0.758 210 G HN 0.728 nan 8.290 nan 0.000 0.559 211 T N -0.235 114.250 114.554 -0.115 0.000 2.778 211 T HA -0.212 4.138 4.350 0.000 0.000 0.269 211 T C 2.007 176.581 174.700 -0.210 0.000 1.050 211 T CA 1.597 63.484 62.100 -0.356 0.000 1.137 211 T CB -0.326 67.848 68.868 -1.157 0.000 0.860 211 T HN 0.466 nan 8.240 nan 0.000 0.468 212 Y N -1.047 119.320 120.300 0.111 0.000 2.516 212 Y HA 0.156 4.706 4.550 0.000 0.000 0.291 212 Y C 0.529 176.446 175.900 0.028 0.000 1.131 212 Y CA -0.281 57.855 58.100 0.060 0.000 1.281 212 Y CB -0.176 38.300 38.460 0.026 0.000 1.013 212 Y HN 0.291 nan 8.280 nan 0.000 0.554 213 W N 1.160 122.394 121.300 -0.110 0.000 1.606 213 W HA 0.378 5.038 4.660 0.000 0.000 0.455 213 W C -0.346 176.037 176.519 -0.228 0.000 0.711 213 W CA -1.249 55.946 57.345 -0.251 0.000 1.876 213 W CB -1.036 28.248 29.460 -0.295 0.000 1.776 213 W HN -0.384 nan 8.180 nan 0.000 0.229 214 V N 3.391 123.290 119.914 -0.025 0.000 2.540 214 V HA -0.044 4.076 4.120 0.000 0.000 0.297 214 V C 0.861 176.923 176.094 -0.053 0.000 1.024 214 V CA -0.267 62.059 62.300 0.044 0.000 1.105 214 V CB 0.024 31.909 31.823 0.103 0.000 0.938 214 V HN 0.201 nan 8.190 nan 0.000 0.482 215 K N 3.154 123.509 120.400 -0.076 0.000 2.087 215 K HA 0.462 4.782 4.320 0.000 0.000 0.255 215 K C 0.420 176.941 176.600 -0.131 0.000 0.988 215 K CA -0.748 55.388 56.287 -0.251 0.000 0.915 215 K CB 0.489 32.729 32.500 -0.433 0.000 1.043 215 K HN 0.865 nan 8.250 nan 0.000 0.457 216 H N -0.724 118.332 119.070 -0.023 0.000 2.791 216 H HA -0.180 4.376 4.556 0.000 0.000 0.302 216 H C -0.460 174.952 175.328 0.139 0.000 1.198 216 H CA -0.099 55.955 56.048 0.010 0.000 1.145 216 H CB -1.525 28.262 29.762 0.041 0.000 1.385 216 H HN 0.247 nan 8.280 nan 0.000 0.409 217 L N 2.354 123.673 121.223 0.161 0.000 2.500 217 L HA 0.080 4.420 4.340 0.000 0.000 0.272 217 L C 1.071 178.092 176.870 0.252 0.000 1.149 217 L CA 0.552 55.492 54.840 0.167 0.000 0.897 217 L CB 0.418 42.517 42.059 0.067 0.000 1.178 217 L HN 0.502 nan 8.230 nan 0.000 0.473 218 N N 2.889 121.662 118.700 0.123 0.000 2.145 218 N HA 0.089 4.829 4.740 0.000 0.000 0.219 218 N C -0.393 175.063 175.510 -0.090 0.000 1.266 218 N CA -0.138 52.876 53.050 -0.060 0.000 0.902 218 N CB 0.354 38.717 38.487 -0.207 0.000 1.078 218 N HN 0.672 nan 8.380 nan 0.000 0.513 219 E N 0.739 120.920 120.200 -0.032 0.000 2.302 219 E HA 0.422 4.772 4.350 0.000 0.000 0.263 219 E C -1.441 175.100 176.600 -0.099 0.000 0.897 219 E CA -0.437 55.921 56.400 -0.069 0.000 0.809 219 E CB 1.443 31.106 29.700 -0.061 0.000 1.270 219 E HN 0.141 nan 8.360 nan 0.000 0.410 220 I N 3.616 124.098 120.570 -0.147 0.000 2.389 220 I HA 0.342 4.513 4.170 0.000 0.000 0.288 220 I C -0.638 175.311 176.117 -0.280 0.000 0.999 220 I CA -0.618 60.518 61.300 -0.275 0.000 1.129 220 I CB 2.106 39.983 38.000 -0.204 0.000 1.288 220 I HN 0.392 nan 8.210 nan 0.000 0.444 221 T N 5.359 119.690 114.554 -0.372 0.000 2.815 221 T HA 0.354 4.705 4.350 0.000 0.000 0.289 221 T C -0.138 174.385 174.700 -0.296 0.000 1.000 221 T CA -0.482 61.453 62.100 -0.276 0.000 0.958 221 T CB 1.802 70.531 68.868 -0.232 0.000 0.944 221 T HN 0.141 nan 8.240 nan 0.000 0.442 222 V N 5.939 125.729 119.914 -0.207 0.000 2.455 222 V HA 0.460 4.581 4.120 0.000 0.000 0.273 222 V C 0.404 176.429 176.094 -0.115 0.000 1.045 222 V CA -0.498 61.702 62.300 -0.166 0.000 0.976 222 V CB -0.026 31.724 31.823 -0.123 0.000 0.993 222 V HN 0.809 nan 8.190 nan 0.000 0.475 223 I N 1.587 122.098 120.570 -0.098 0.000 2.892 223 I HA 0.690 4.860 4.170 0.000 0.000 0.306 223 I C -0.026 176.076 176.117 -0.024 0.000 1.078 223 I CA -0.853 60.418 61.300 -0.049 0.000 1.032 223 I CB 2.467 40.451 38.000 -0.027 0.000 1.229 223 I HN 0.542 nan 8.210 nan 0.000 0.435 224 D N 2.251 122.648 120.400 -0.006 0.000 2.525 224 D HA 0.195 4.836 4.640 0.000 0.000 0.229 224 D C -0.194 176.116 176.300 0.016 0.000 1.202 224 D CA -0.279 53.722 54.000 0.001 0.000 0.828 224 D CB 0.098 40.897 40.800 -0.002 0.000 1.008 224 D HN 0.784 nan 8.370 nan 0.000 0.493 225 K N -1.461 118.957 120.400 0.030 0.000 2.399 225 K HA 0.486 4.806 4.320 0.000 0.000 0.260 225 K C -0.753 175.888 176.600 0.068 0.000 1.049 225 K CA -0.983 55.331 56.287 0.044 0.000 0.890 225 K CB 1.487 34.014 32.500 0.047 0.000 1.430 225 K HN -0.131 nan 8.250 nan 0.000 0.459 226 E N 0.722 120.966 120.200 0.073 0.000 2.289 226 E HA 0.114 4.464 4.350 0.000 0.000 0.278 226 E C -1.272 175.416 176.600 0.147 0.000 1.032 226 E CA -0.669 55.791 56.400 0.101 0.000 0.854 226 E CB 0.501 30.243 29.700 0.070 0.000 1.046 226 E HN 0.388 nan 8.360 nan 0.000 0.409 227 F N 4.273 124.238 119.950 0.025 0.000 2.467 227 F HA 0.133 4.661 4.527 0.000 0.000 0.362 227 F C -0.001 175.823 175.800 0.040 0.000 1.090 227 F CA -0.696 57.321 58.000 0.028 0.000 1.202 227 F CB 0.663 39.679 39.000 0.028 0.000 1.113 227 F HN 0.410 nan 8.300 nan 0.000 0.541 228 D N 2.746 122.838 120.400 -0.514 0.000 2.559 228 D HA 0.237 4.877 4.640 0.000 0.000 0.234 228 D C 0.725 176.655 176.300 -0.616 0.000 1.226 228 D CA -0.371 53.374 54.000 -0.425 0.000 0.830 228 D CB -0.134 40.554 40.800 -0.187 0.000 1.028 228 D HN 0.611 nan 8.370 nan 0.000 0.492 229 G N -0.037 107.946 108.800 -1.363 0.000 2.559 229 G HA2 0.090 4.050 3.960 0.000 0.000 0.235 229 G HA3 0.090 4.050 3.960 0.000 0.000 0.235 229 G C 0.432 175.188 174.900 -0.240 0.000 1.266 229 G CA -0.689 43.945 45.100 -0.778 0.000 0.847 229 G HN 0.219 nan 8.290 nan 0.000 0.583 230 F N 0.612 120.438 119.950 -0.206 0.000 2.120 230 F HA -0.166 4.361 4.527 0.000 0.000 0.300 230 F C 1.899 177.572 175.800 -0.211 0.000 1.095 230 F CA 1.656 59.502 58.000 -0.256 0.000 1.249 230 F CB -0.077 38.691 39.000 -0.386 0.000 0.995 230 F HN 0.547 nan 8.300 nan 0.000 0.480 231 W N -0.567 120.734 121.300 0.002 0.000 2.937 231 W HA -0.051 4.609 4.660 0.000 0.000 0.245 231 W C 1.855 178.352 176.519 -0.036 0.000 1.306 231 W CA -0.004 57.310 57.345 -0.052 0.000 1.470 231 W CB -0.186 29.288 29.460 0.024 0.000 1.132 231 W HN 0.022 nan 8.180 nan 0.000 0.675 232 M N -0.692 118.981 119.600 0.122 0.000 2.691 232 M HA 0.055 4.535 4.480 0.000 0.000 0.261 232 M C 2.088 178.396 176.300 0.013 0.000 1.227 232 M CA 1.080 56.454 55.300 0.123 0.000 1.197 232 M CB -1.038 31.702 32.600 0.234 0.000 1.294 232 M HN -0.106 nan 8.290 nan 0.000 0.508 233 K N -0.330 120.012 120.400 -0.097 0.000 2.211 233 K HA 0.005 4.325 4.320 0.000 0.000 0.201 233 K C 1.134 177.646 176.600 -0.146 0.000 1.052 233 K CA 1.263 57.488 56.287 -0.103 0.000 0.973 233 K CB 0.512 32.939 32.500 -0.121 0.000 0.766 233 K HN 0.221 nan 8.250 nan 0.000 0.466 234 T N -0.008 114.358 114.554 -0.313 0.000 3.098 234 T HA 0.286 4.637 4.350 0.000 0.000 0.246 234 T C 0.412 174.852 174.700 -0.434 0.000 0.983 234 T CA 0.165 62.041 62.100 -0.374 0.000 1.094 234 T CB 0.320 68.922 68.868 -0.442 0.000 1.035 234 T HN 0.232 nan 8.240 nan 0.000 0.456 235 A N 0.211 122.614 122.820 -0.695 0.000 2.287 235 A HA 0.572 4.892 4.320 0.000 0.000 0.273 235 A C -0.319 177.237 177.584 -0.048 0.000 1.091 235 A CA -0.325 51.453 52.037 -0.430 0.000 0.817 235 A CB -0.505 18.215 19.000 -0.466 0.000 1.069 235 A HN 0.596 nan 8.150 nan 0.000 0.492 236 Y N -1.473 118.901 120.300 0.123 0.000 3.825 236 Y HA -0.200 4.350 4.550 0.000 0.000 0.221 236 Y C 0.766 176.682 175.900 0.026 0.000 1.195 236 Y CA 0.984 59.095 58.100 0.018 0.000 1.699 236 Y CB -1.473 36.932 38.460 -0.092 0.000 1.531 236 Y HN 0.636 nan 8.280 nan 0.000 0.640 237 R N 1.271 121.906 120.500 0.224 0.000 2.428 237 R HA 0.728 5.068 4.340 0.000 0.000 0.294 237 R C 0.334 176.764 176.300 0.217 0.000 1.000 237 R CA -0.687 55.509 56.100 0.161 0.000 0.960 237 R CB 1.588 31.932 30.300 0.074 0.000 1.076 237 R HN 0.398 nan 8.270 nan 0.000 0.475 238 I N -0.799 119.861 120.570 0.150 0.000 2.750 238 I HA 0.541 4.711 4.170 0.000 0.000 0.308 238 I C -2.482 173.681 176.117 0.076 0.000 1.016 238 I CA -3.442 57.935 61.300 0.129 0.000 1.098 238 I CB 1.806 39.873 38.000 0.111 0.000 1.279 238 I HN 0.213 nan 8.210 nan 0.000 0.454 239 P HA -0.020 nan 4.420 nan 0.000 0.264 239 P C -0.862 176.468 177.300 0.051 0.000 1.193 239 P CA 0.252 63.381 63.100 0.047 0.000 0.763 239 P CB 0.264 31.992 31.700 0.047 0.000 0.810 240 D N 3.501 123.929 120.400 0.046 0.000 2.551 240 D HA 0.081 4.721 4.640 0.000 0.000 0.223 240 D C -0.312 176.011 176.300 0.038 0.000 1.144 240 D CA 0.082 54.108 54.000 0.044 0.000 1.025 240 D CB -1.167 39.658 40.800 0.041 0.000 1.085 240 D HN 0.340 nan 8.370 nan 0.000 0.506 241 N N -0.565 118.158 118.700 0.039 0.000 3.116 241 N HA 0.303 5.043 4.740 0.000 0.000 0.244 241 N C 0.210 175.739 175.510 0.032 0.000 1.485 241 N CA -0.377 52.692 53.050 0.033 0.000 0.884 241 N CB 0.562 39.069 38.487 0.033 0.000 1.415 241 N HN -0.123 nan 8.380 nan 0.000 0.524 242 A N -0.416 122.418 122.820 0.024 0.000 2.015 242 A HA -0.027 4.294 4.320 0.000 0.000 0.219 242 A C 1.837 179.434 177.584 0.022 0.000 1.163 242 A CA 1.725 53.773 52.037 0.017 0.000 0.646 242 A CB -1.165 17.839 19.000 0.006 0.000 0.806 242 A HN 1.139 nan 8.150 nan 0.000 0.448 243 C N -3.237 116.080 119.300 0.028 0.000 2.791 243 C HA 0.643 5.103 4.460 0.000 0.000 0.270 243 C C 1.488 176.506 174.990 0.046 0.000 1.257 243 C CA -0.409 58.629 59.018 0.034 0.000 1.699 243 C CB -1.252 26.510 27.740 0.036 0.000 1.904 243 C HN 1.802 nan 8.230 nan 0.000 0.603 244 A N 0.192 123.041 122.820 0.049 0.000 2.511 244 A HA -0.083 4.237 4.320 0.000 0.000 0.297 244 A C 0.421 178.034 177.584 0.049 0.000 1.476 244 A CA 1.035 53.105 52.037 0.054 0.000 0.757 244 A CB -2.643 16.395 19.000 0.064 0.000 1.072 244 A HN 2.215 nan 8.150 nan 0.000 0.413 245 C N -1.465 117.870 119.300 0.058 0.000 3.288 245 C HA 0.990 5.450 4.460 0.000 0.000 0.318 245 C C -0.135 174.921 174.990 0.111 0.000 1.356 245 C CA 0.366 59.433 59.018 0.082 0.000 1.359 245 C CB 1.469 29.264 27.740 0.092 0.000 1.688 245 C HN 1.995 nan 8.230 nan 0.000 0.467 246 T N -1.744 112.923 114.554 0.188 0.000 2.865 246 T HA 0.549 4.899 4.350 0.000 0.000 0.294 246 T C -0.785 174.054 174.700 0.232 0.000 1.119 246 T CA -0.350 61.869 62.100 0.199 0.000 1.007 246 T CB 1.480 70.490 68.868 0.236 0.000 1.225 246 T HN 1.139 nan 8.240 nan 0.000 0.515 247 E N 1.743 122.012 120.200 0.114 0.000 2.415 247 E HA 0.155 4.505 4.350 0.000 0.000 0.263 247 E C -2.179 174.335 176.600 -0.142 0.000 0.995 247 E CA -1.657 54.744 56.400 0.003 0.000 0.915 247 E CB 0.090 29.772 29.700 -0.030 0.000 0.951 247 E HN 0.254 nan 8.360 nan 0.000 0.449 248 P HA -0.105 nan 4.420 nan 0.000 0.257 248 P C 0.325 177.036 177.300 -0.982 0.000 1.153 248 P CA 1.573 63.971 63.100 -1.170 0.000 0.762 248 P CB 0.207 31.437 31.700 -0.782 0.000 0.743 249 G N 2.354 110.303 108.800 -1.420 0.000 2.195 249 G HA2 -0.222 3.739 3.960 0.000 0.000 0.246 249 G HA3 -0.222 3.739 3.960 0.000 0.000 0.246 249 G C 0.034 174.868 174.900 -0.110 0.000 0.984 249 G CA -0.288 44.512 45.100 -0.500 0.000 0.633 249 G HN 0.528 nan 8.290 nan 0.000 0.525 250 K N 0.981 121.373 120.400 -0.013 0.000 2.185 250 K HA 0.694 5.014 4.320 0.000 0.000 0.269 250 K C 0.445 177.186 176.600 0.234 0.000 0.987 250 K CA 0.056 56.408 56.287 0.108 0.000 0.865 250 K CB 1.972 34.503 32.500 0.052 0.000 1.090 250 K HN 0.470 nan 8.250 nan 0.000 0.450 251 A N 4.522 127.428 122.820 0.143 0.000 2.407 251 A HA 0.316 4.636 4.320 0.000 0.000 0.248 251 A C -1.932 175.702 177.584 0.082 0.000 1.082 251 A CA -1.005 51.095 52.037 0.106 0.000 0.785 251 A CB -0.414 18.624 19.000 0.062 0.000 1.020 251 A HN 0.465 nan 8.150 nan 0.000 0.489 252 P HA 0.179 nan 4.420 nan 0.000 0.274 252 P C 0.772 178.094 177.300 0.038 0.000 1.237 252 P CA 0.090 63.221 63.100 0.052 0.000 0.793 252 P CB 0.768 32.494 31.700 0.043 0.000 0.977 253 T N -1.637 112.937 114.554 0.034 0.000 2.978 253 T HA 0.278 4.628 4.350 0.000 0.000 0.262 253 T C 0.798 175.512 174.700 0.024 0.000 1.063 253 T CA 0.488 62.603 62.100 0.026 0.000 1.140 253 T CB -0.201 68.681 68.868 0.024 0.000 0.886 253 T HN 0.616 nan 8.240 nan 0.000 0.470 254 A N 1.336 124.173 122.820 0.027 0.000 2.414 254 A HA 0.732 5.052 4.320 0.000 0.000 0.306 254 A C -0.018 177.585 177.584 0.033 0.000 1.054 254 A CA -0.667 51.386 52.037 0.027 0.000 0.724 254 A CB 1.693 20.709 19.000 0.027 0.000 1.267 254 A HN 0.532 nan 8.150 nan 0.000 0.418 255 T N -1.000 113.574 114.554 0.034 0.000 2.901 255 T HA 0.825 5.175 4.350 0.000 0.000 0.293 255 T C -0.320 174.411 174.700 0.051 0.000 1.084 255 T CA -0.367 61.759 62.100 0.043 0.000 1.008 255 T CB 1.145 70.036 68.868 0.039 0.000 1.170 255 T HN 1.441 nan 8.240 nan 0.000 0.509 256 I N -2.705 117.905 120.570 0.068 0.000 2.969 256 I HA 0.727 4.897 4.170 0.000 0.000 0.307 256 I C -3.215 172.968 176.117 0.111 0.000 1.149 256 I CA -3.450 57.900 61.300 0.083 0.000 1.008 256 I CB 2.040 40.089 38.000 0.082 0.000 1.232 256 I HN 0.322 nan 8.210 nan 0.000 0.435 257 P HA 0.174 nan 4.420 nan 0.000 0.266 257 P C -0.048 177.378 177.300 0.210 0.000 1.195 257 P CA 0.109 63.330 63.100 0.202 0.000 0.768 257 P CB 0.522 32.395 31.700 0.287 0.000 0.838 258 I N 3.060 123.740 120.570 0.183 0.000 2.932 258 I HA -0.135 4.035 4.170 0.000 0.000 0.295 258 I C 1.236 177.556 176.117 0.339 0.000 1.227 258 I CA 0.890 62.282 61.300 0.153 0.000 1.429 258 I CB 0.289 38.253 38.000 -0.060 0.000 1.339 258 I HN 0.549 nan 8.210 nan 0.000 0.589 259 N N 6.403 125.244 118.700 0.235 0.000 2.711 259 N HA 0.155 4.895 4.740 0.000 0.000 0.140 259 N C -0.284 174.973 175.510 -0.421 0.000 1.711 259 N CA -0.682 52.358 53.050 -0.016 0.000 1.234 259 N CB 0.301 38.737 38.487 -0.085 0.000 0.931 259 N HN 0.429 nan 8.380 nan 0.000 0.489 260 R N 0.191 120.325 120.500 -0.610 0.000 2.410 260 R HA 0.304 4.644 4.340 0.000 0.000 0.288 260 R C -0.473 175.741 176.300 -0.145 0.000 1.051 260 R CA -0.604 55.109 56.100 -0.644 0.000 1.021 260 R CB 0.450 30.483 30.300 -0.445 0.000 1.032 260 R HN 0.172 nan 8.270 nan 0.000 0.481 261 F N 2.367 122.146 119.950 -0.285 0.000 2.629 261 F HA -0.083 4.444 4.527 0.000 0.000 0.369 261 F C 0.957 176.769 175.800 0.021 0.000 1.125 261 F CA -0.148 57.681 58.000 -0.285 0.000 1.330 261 F CB -0.076 38.865 39.000 -0.098 0.000 1.071 261 F HN 0.542 nan 8.300 nan 0.000 0.595 262 D N 0.059 120.642 120.400 0.305 0.000 2.387 262 D HA 0.357 4.997 4.640 0.000 0.000 0.251 262 D C -0.587 175.726 176.300 0.021 0.000 1.141 262 D CA -0.652 53.440 54.000 0.153 0.000 0.987 262 D CB 0.418 41.295 40.800 0.128 0.000 1.116 262 D HN 0.174 nan 8.370 nan 0.000 0.491 263 V N 0.800 120.682 119.914 -0.053 0.000 2.529 263 V HA 0.185 4.305 4.120 0.000 0.000 0.292 263 V C 0.809 176.712 176.094 -0.318 0.000 1.028 263 V CA 0.110 62.308 62.300 -0.171 0.000 1.074 263 V CB -0.638 31.112 31.823 -0.123 0.000 0.958 263 V HN 0.393 nan 8.190 nan 0.000 0.481 264 R N 3.150 123.310 120.500 -0.567 0.000 2.854 264 R HA 0.826 5.166 4.340 0.000 0.000 0.271 264 R C -0.697 175.294 176.300 -0.516 0.000 0.994 264 R CA -0.595 55.123 56.100 -0.637 0.000 0.945 264 R CB 2.415 32.203 30.300 -0.852 0.000 1.194 264 R HN 0.834 nan 8.270 nan 0.000 0.476 265 S N 0.565 115.954 115.700 -0.520 0.000 2.550 265 S HA 0.727 5.197 4.470 0.000 0.000 0.270 265 S C -1.243 173.076 174.600 -0.469 0.000 1.145 265 S CA -0.864 57.188 58.200 -0.247 0.000 0.852 265 S CB 1.359 64.492 63.200 -0.111 0.000 1.119 265 S HN 0.396 nan 8.310 nan 0.000 0.465 266 F N 0.110 120.170 119.950 0.183 0.000 2.613 266 F HA 0.602 5.129 4.527 0.000 0.000 0.310 266 F C -0.433 175.577 175.800 0.350 0.000 1.085 266 F CA -1.064 57.066 58.000 0.216 0.000 0.945 266 F CB 1.647 40.773 39.000 0.211 0.000 1.298 266 F HN 0.544 nan 8.300 nan 0.000 0.455 267 I N 1.467 122.360 120.570 0.538 0.000 2.315 267 I HA 0.209 4.379 4.170 0.000 0.000 0.291 267 I C 0.778 177.089 176.117 0.322 0.000 1.006 267 I CA -0.086 61.443 61.300 0.382 0.000 1.265 267 I CB 1.591 39.809 38.000 0.364 0.000 1.387 267 I HN 0.845 nan 8.210 nan 0.000 0.475 268 T N 0.315 114.903 114.554 0.058 0.000 3.015 268 T HA -0.038 4.312 4.350 0.000 0.000 0.250 268 T C 1.332 176.016 174.700 -0.027 0.000 1.057 268 T CA 0.131 62.211 62.100 -0.033 0.000 1.066 268 T CB -0.100 68.625 68.868 -0.238 0.000 0.959 268 T HN 0.631 nan 8.240 nan 0.000 0.488 269 N N 2.437 121.114 118.700 -0.039 0.000 2.422 269 N HA 0.023 4.763 4.740 0.000 0.000 0.181 269 N C 0.441 175.972 175.510 0.035 0.000 1.080 269 N CA 0.482 53.517 53.050 -0.026 0.000 0.893 269 N CB 0.007 38.458 38.487 -0.060 0.000 0.973 269 N HN 0.556 nan 8.380 nan 0.000 0.456 270 V N -3.381 116.585 119.914 0.087 0.000 2.962 270 V HA 0.671 4.791 4.120 0.000 0.000 0.313 270 V C -0.595 175.591 176.094 0.153 0.000 1.099 270 V CA -1.085 61.276 62.300 0.103 0.000 0.971 270 V CB 2.124 33.999 31.823 0.086 0.000 1.028 270 V HN 0.010 nan 8.190 nan 0.000 0.430 271 E N 1.172 121.447 120.200 0.125 0.000 2.393 271 E HA 0.343 4.694 4.350 0.000 0.000 0.265 271 E C -0.762 175.880 176.600 0.071 0.000 0.941 271 E CA -1.094 55.376 56.400 0.117 0.000 0.801 271 E CB 1.568 31.352 29.700 0.140 0.000 1.313 271 E HN 0.873 nan 8.360 nan 0.000 0.435 272 N N 0.455 119.183 118.700 0.047 0.000 2.357 272 N HA -0.117 4.623 4.740 0.000 0.000 0.257 272 N C 0.553 176.086 175.510 0.037 0.000 1.250 272 N CA 1.627 54.698 53.050 0.036 0.000 0.862 272 N CB 0.394 38.897 38.487 0.026 0.000 1.066 272 N HN 0.773 nan 8.380 nan 0.000 0.468 273 G N 1.762 110.582 108.800 0.034 0.000 2.162 273 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 273 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 273 G C 0.296 175.216 174.900 0.033 0.000 0.976 273 G CA 0.411 45.529 45.100 0.029 0.000 0.655 273 G HN 1.005 nan 8.290 nan 0.000 0.533 274 A N 0.172 123.017 122.820 0.042 0.000 2.520 274 A HA 0.585 4.906 4.320 0.000 0.000 0.235 274 A C 1.056 178.664 177.584 0.040 0.000 1.065 274 A CA 1.093 53.156 52.037 0.043 0.000 0.764 274 A CB 0.245 19.276 19.000 0.052 0.000 1.002 274 A HN 2.015 nan 8.150 nan 0.000 0.502 275 S N 0.908 116.628 115.700 0.034 0.000 2.480 275 S HA 0.627 5.097 4.470 0.000 0.000 0.286 275 S C -0.106 174.515 174.600 0.035 0.000 1.180 275 S CA 0.009 58.229 58.200 0.033 0.000 1.075 275 S CB 0.827 64.042 63.200 0.025 0.000 0.996 275 S HN 1.948 nan 8.310 nan 0.000 0.487 276 V N 0.096 120.034 119.914 0.040 0.000 3.102 276 V HA 0.674 4.794 4.120 0.000 0.000 0.312 276 V C -0.607 175.507 176.094 0.034 0.000 1.135 276 V CA -1.303 61.019 62.300 0.036 0.000 1.022 276 V CB 1.627 33.474 31.823 0.040 0.000 1.056 276 V HN 0.975 nan 8.190 nan 0.000 0.436 277 K N 1.888 122.303 120.400 0.026 0.000 2.248 277 K HA 0.706 5.026 4.320 0.000 0.000 0.281 277 K C 0.293 176.907 176.600 0.023 0.000 1.054 277 K CA -0.064 56.237 56.287 0.023 0.000 0.903 277 K CB 1.134 33.644 32.500 0.017 0.000 1.077 277 K HN 1.209 nan 8.250 nan 0.000 0.474 278 A N 3.312 126.150 122.820 0.031 0.000 2.565 278 A HA 0.409 4.729 4.320 0.000 0.000 0.237 278 A C 0.773 178.366 177.584 0.015 0.000 1.053 278 A CA 1.116 53.172 52.037 0.031 0.000 0.755 278 A CB -0.366 18.660 19.000 0.043 0.000 0.980 278 A HN 1.026 nan 8.150 nan 0.000 0.506 279 G N 1.385 110.186 108.800 0.002 0.000 2.250 279 G HA2 0.042 4.002 3.960 0.000 0.000 0.196 279 G HA3 0.042 4.002 3.960 0.000 0.000 0.196 279 G C -0.832 174.060 174.900 -0.012 0.000 1.308 279 G CA -0.378 44.720 45.100 -0.003 0.000 1.207 279 G HN 0.792 nan 8.290 nan 0.000 0.505 280 E N 0.946 121.144 120.200 -0.005 0.000 2.159 280 E HA 0.377 4.727 4.350 0.000 0.000 0.272 280 E C -0.018 176.583 176.600 0.002 0.000 1.138 280 E CA 0.051 56.450 56.400 -0.002 0.000 0.915 280 E CB 1.260 30.963 29.700 0.005 0.000 1.028 280 E HN 0.469 nan 8.360 nan 0.000 0.423 281 V N 6.360 126.272 119.914 -0.003 0.000 2.364 281 V HA 0.207 4.327 4.120 0.000 0.000 0.272 281 V C -2.099 174.011 176.094 0.027 0.000 1.036 281 V CA -1.942 60.363 62.300 0.008 0.000 0.880 281 V CB 1.199 33.021 31.823 -0.002 0.000 0.991 281 V HN 0.435 nan 8.190 nan 0.000 0.460 282 P HA 0.433 nan 4.420 nan 0.000 0.287 282 P C -0.862 176.465 177.300 0.046 0.000 1.294 282 P CA -0.140 62.984 63.100 0.040 0.000 0.776 282 P CB 0.827 32.541 31.700 0.023 0.000 0.889 283 L N 4.409 125.685 121.223 0.089 0.000 2.330 283 L HA 0.736 5.076 4.340 0.000 0.000 0.271 283 L C 0.865 177.712 176.870 -0.037 0.000 1.013 283 L CA -0.839 54.058 54.840 0.094 0.000 0.816 283 L CB 1.954 44.179 42.059 0.278 0.000 1.287 283 L HN 0.424 nan 8.230 nan 0.000 0.435 284 R N 0.630 120.918 120.500 -0.353 0.000 2.734 284 R HA 0.928 5.268 4.340 0.000 0.000 0.271 284 R C -0.836 174.731 176.300 -1.221 0.000 1.021 284 R CA -0.623 54.997 56.100 -0.800 0.000 0.893 284 R CB 2.117 32.182 30.300 -0.392 0.000 1.244 284 R HN 0.712 nan 8.270 nan 0.000 0.464 285 G N 0.783 108.572 108.800 -1.685 0.000 2.450 285 G HA2 0.434 4.394 3.960 0.000 0.000 0.273 285 G HA3 0.434 4.394 3.960 0.000 0.000 0.273 285 G C -1.456 172.939 174.900 -0.840 0.000 1.221 285 G CA -0.487 43.989 45.100 -1.039 0.000 0.900 285 G HN 0.865 nan 8.290 nan 0.000 0.483 286 I N -2.743 117.685 120.570 -0.237 0.000 2.969 286 I HA 0.946 5.117 4.170 0.000 0.000 0.307 286 I C -0.361 175.939 176.117 0.306 0.000 1.149 286 I CA -1.369 59.924 61.300 -0.012 0.000 1.008 286 I CB 2.214 40.003 38.000 -0.351 0.000 1.232 286 I HN 1.217 nan 8.210 nan 0.000 0.435 287 A N 3.511 126.524 122.820 0.322 0.000 2.539 287 A HA 0.955 5.275 4.320 0.000 0.000 0.296 287 A C -1.247 176.571 177.584 0.390 0.000 1.073 287 A CA -0.549 51.645 52.037 0.260 0.000 0.700 287 A CB 1.669 20.786 19.000 0.195 0.000 1.296 287 A HN 1.127 nan 8.150 nan 0.000 0.405 288 F N -0.003 120.050 119.950 0.173 0.000 2.713 288 F HA 0.849 5.376 4.527 0.000 0.000 0.311 288 F C -0.955 174.945 175.800 0.166 0.000 1.141 288 F CA -0.574 57.559 58.000 0.223 0.000 0.939 288 F CB 1.355 40.561 39.000 0.344 0.000 1.325 288 F HN 0.731 nan 8.300 nan 0.000 0.453 289 D N -0.089 120.552 120.400 0.402 0.000 3.009 289 D HA 0.322 4.962 4.640 0.000 0.000 0.318 289 D C 0.196 176.841 176.300 0.575 0.000 1.273 289 D CA -0.229 53.966 54.000 0.325 0.000 1.001 289 D CB 0.990 41.922 40.800 0.221 0.000 1.411 289 D HN 0.910 nan 8.370 nan 0.000 0.577 290 G N -1.931 107.147 108.800 0.464 0.000 3.327 290 G HA2 0.420 4.381 3.960 0.000 0.000 0.240 290 G HA3 0.420 4.381 3.960 0.000 0.000 0.240 290 G C 1.005 176.020 174.900 0.193 0.000 1.222 290 G CA 0.300 45.620 45.100 0.367 0.000 0.871 290 G HN 1.249 nan 8.290 nan 0.000 0.525 291 G N -1.162 107.688 108.800 0.084 0.000 2.154 291 G HA2 -0.264 3.696 3.960 0.000 0.000 0.186 291 G HA3 -0.264 3.696 3.960 0.000 0.000 0.186 291 G C 0.633 175.206 174.900 -0.545 0.000 1.000 291 G CA 0.239 45.073 45.100 -0.444 0.000 0.664 291 G HN 0.401 nan 8.290 nan 0.000 0.513 292 Y N 0.704 120.968 120.300 -0.060 0.000 2.510 292 Y HA 0.437 4.987 4.550 0.000 0.000 0.273 292 Y C 1.814 177.688 175.900 -0.043 0.000 1.119 292 Y CA 0.980 59.051 58.100 -0.049 0.000 1.286 292 Y CB 0.652 39.102 38.460 -0.017 0.000 1.061 292 Y HN 1.177 nan 8.280 nan 0.000 0.542 293 G N 0.883 109.740 108.800 0.095 0.000 2.784 293 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 293 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 293 G C -1.018 173.937 174.900 0.092 0.000 1.156 293 G CA -1.156 43.986 45.100 0.071 0.000 0.757 293 G HN -0.048 nan 8.290 nan 0.000 0.642 294 I N 2.248 122.871 120.570 0.089 0.000 2.416 294 I HA 0.251 4.421 4.170 0.000 0.000 0.288 294 I C 1.653 177.793 176.117 0.039 0.000 1.051 294 I CA 0.234 61.574 61.300 0.067 0.000 1.375 294 I CB 0.690 38.747 38.000 0.094 0.000 1.407 294 I HN 0.626 nan 8.210 nan 0.000 0.516 295 T N 5.416 119.975 114.554 0.007 0.000 3.010 295 T HA 0.045 4.396 4.350 0.000 0.000 0.252 295 T C 0.402 175.088 174.700 -0.024 0.000 1.047 295 T CA 0.517 62.613 62.100 -0.007 0.000 1.140 295 T CB 0.282 69.136 68.868 -0.023 0.000 0.885 295 T HN 0.755 nan 8.240 nan 0.000 0.464 296 Q N -0.684 119.085 119.800 -0.052 0.000 2.647 296 Q HA 0.612 4.952 4.340 0.000 0.000 0.283 296 Q C -2.133 173.782 176.000 -0.142 0.000 0.943 296 Q CA -0.965 54.791 55.803 -0.079 0.000 0.813 296 Q CB 1.417 30.103 28.738 -0.087 0.000 1.477 296 Q HN -0.032 nan 8.270 nan 0.000 0.393 297 V N 1.505 121.303 119.914 -0.193 0.000 2.483 297 V HA 0.730 4.850 4.120 0.000 0.000 0.297 297 V C -0.786 175.095 176.094 -0.355 0.000 1.027 297 V CA -0.519 61.569 62.300 -0.354 0.000 0.855 297 V CB 1.886 33.357 31.823 -0.587 0.000 0.995 297 V HN 0.840 nan 8.190 nan 0.000 0.424 298 S N 3.160 118.665 115.700 -0.325 0.000 2.549 298 S HA 0.810 5.280 4.470 0.000 0.000 0.297 298 S C -0.418 174.190 174.600 0.013 0.000 1.115 298 S CA -0.563 57.551 58.200 -0.143 0.000 1.059 298 S CB 2.004 65.101 63.200 -0.172 0.000 1.046 298 S HN 0.482 nan 8.310 nan 0.000 0.506 299 V N 1.666 121.657 119.914 0.129 0.000 2.769 299 V HA 0.782 4.902 4.120 0.000 0.000 0.312 299 V C -0.165 175.934 176.094 0.008 0.000 1.061 299 V CA -0.635 61.698 62.300 0.054 0.000 0.931 299 V CB 2.044 33.802 31.823 -0.108 0.000 1.010 299 V HN 0.790 nan 8.190 nan 0.000 0.433 300 S N 1.448 116.998 115.700 -0.250 0.000 2.541 300 S HA 0.762 5.232 4.470 0.000 0.000 0.280 300 S C 0.207 174.619 174.600 -0.312 0.000 1.112 300 S CA 0.295 58.162 58.200 -0.556 0.000 0.925 300 S CB 1.940 64.357 63.200 -1.305 0.000 1.067 300 S HN 1.117 nan 8.310 nan 0.000 0.479 301 A N 2.622 125.283 122.820 -0.264 0.000 2.508 301 A HA 0.344 4.664 4.320 0.000 0.000 0.257 301 A C -0.057 177.466 177.584 -0.102 0.000 1.226 301 A CA 0.047 51.985 52.037 -0.165 0.000 0.947 301 A CB -0.027 18.849 19.000 -0.207 0.000 1.079 301 A HN 0.778 nan 8.150 nan 0.000 0.531 302 D N -1.715 118.579 120.400 -0.177 0.000 2.957 302 D HA 0.463 5.103 4.640 0.000 0.000 0.352 302 D C 0.464 176.667 176.300 -0.162 0.000 1.352 302 D CA -0.013 53.918 54.000 -0.115 0.000 0.831 302 D CB -0.131 40.609 40.800 -0.101 0.000 1.147 302 D HN 0.694 nan 8.370 nan 0.000 0.467 303 A N 0.165 122.889 122.820 -0.160 0.000 2.748 303 A HA 0.100 4.420 4.320 0.000 0.000 0.297 303 A C 1.728 179.198 177.584 -0.190 0.000 1.508 303 A CA 1.328 53.279 52.037 -0.142 0.000 0.799 303 A CB -1.940 17.018 19.000 -0.070 0.000 1.011 303 A HN 1.737 nan 8.150 nan 0.000 0.500 304 G N -2.445 106.111 108.800 -0.407 0.000 2.157 304 G HA2 -0.250 3.710 3.960 0.000 0.000 0.239 304 G HA3 -0.250 3.710 3.960 0.000 0.000 0.239 304 G C 0.666 175.390 174.900 -0.294 0.000 0.982 304 G CA 1.021 45.842 45.100 -0.464 0.000 0.650 304 G HN 0.885 nan 8.290 nan 0.000 0.527 305 K N 0.902 121.135 120.400 -0.278 0.000 2.031 305 K HA 0.203 4.523 4.320 0.000 0.000 0.205 305 K C 1.676 178.176 176.600 -0.167 0.000 1.049 305 K CA 1.580 57.778 56.287 -0.148 0.000 0.939 305 K CB -0.065 32.371 32.500 -0.107 0.000 0.717 305 K HN 0.886 nan 8.250 nan 0.000 0.438 306 S N -1.875 113.623 115.700 -0.338 0.000 2.599 306 S HA 0.661 5.131 4.470 0.000 0.000 0.287 306 S C -1.394 172.886 174.600 -0.534 0.000 1.105 306 S CA -1.117 56.930 58.200 -0.256 0.000 0.899 306 S CB 1.140 64.272 63.200 -0.113 0.000 1.100 306 S HN 0.189 nan 8.310 nan 0.000 0.482 307 W N 0.254 121.524 121.300 -0.049 0.000 2.819 307 W HA 0.623 5.283 4.660 0.000 0.000 0.337 307 W C -0.487 175.994 176.519 -0.065 0.000 1.077 307 W CA -0.439 56.866 57.345 -0.067 0.000 1.226 307 W CB 2.412 31.825 29.460 -0.078 0.000 1.419 307 W HN 0.647 nan 8.180 nan 0.000 0.502 308 T N 2.122 116.771 114.554 0.158 0.000 2.856 308 T HA 0.196 4.546 4.350 0.000 0.000 0.283 308 T C -0.611 174.124 174.700 0.057 0.000 1.008 308 T CA -0.730 61.415 62.100 0.075 0.000 0.997 308 T CB 1.010 69.893 68.868 0.025 0.000 0.992 308 T HN 0.233 nan 8.240 nan 0.000 0.454 309 N N 1.788 120.504 118.700 0.026 0.000 2.442 309 N HA 0.441 5.181 4.740 0.000 0.000 0.265 309 N C -0.079 175.426 175.510 -0.008 0.000 1.138 309 N CA -0.240 52.805 53.050 -0.009 0.000 0.956 309 N CB 0.521 39.005 38.487 -0.005 0.000 1.067 309 N HN 0.780 nan 8.380 nan 0.000 0.474 310 A N 2.751 125.539 122.820 -0.053 0.000 2.366 310 A HA 0.339 4.659 4.320 0.000 0.000 0.249 310 A C 0.078 177.706 177.584 0.073 0.000 1.084 310 A CA -0.253 51.795 52.037 0.018 0.000 0.794 310 A CB 0.146 19.095 19.000 -0.085 0.000 1.034 310 A HN 0.647 nan 8.150 nan 0.000 0.491 311 T N 2.686 117.324 114.554 0.140 0.000 2.743 311 T HA 0.425 4.775 4.350 0.000 0.000 0.293 311 T C 0.102 174.905 174.700 0.172 0.000 0.945 311 T CA -0.002 62.172 62.100 0.122 0.000 1.030 311 T CB -0.004 68.927 68.868 0.104 0.000 0.912 311 T HN 0.401 nan 8.240 nan 0.000 0.483 312 L N 3.560 124.866 121.223 0.138 0.000 2.380 312 L HA 0.266 4.606 4.340 0.000 0.000 0.273 312 L C 0.668 177.616 176.870 0.130 0.000 1.138 312 L CA -0.871 54.067 54.840 0.162 0.000 0.832 312 L CB 0.374 42.507 42.059 0.122 0.000 1.124 312 L HN 0.534 nan 8.230 nan 0.000 0.454 313 D N 3.666 124.148 120.400 0.136 0.000 2.362 313 D HA 0.120 4.760 4.640 0.000 0.000 0.238 313 D C -2.044 174.308 176.300 0.086 0.000 1.212 313 D CA -0.867 53.191 54.000 0.096 0.000 0.902 313 D CB 0.162 41.013 40.800 0.084 0.000 1.180 313 D HN 0.299 nan 8.370 nan 0.000 0.445 314 P HA 0.136 nan 4.420 nan 0.000 0.265 314 P C 0.027 177.371 177.300 0.074 0.000 1.193 314 P CA -0.195 62.942 63.100 0.063 0.000 0.765 314 P CB 0.434 32.164 31.700 0.049 0.000 0.823 315 G N 1.806 110.651 108.800 0.075 0.000 2.476 315 G HA2 0.415 4.375 3.960 0.000 0.000 0.286 315 G HA3 0.415 4.375 3.960 0.000 0.000 0.286 315 G C 0.382 175.330 174.900 0.079 0.000 1.177 315 G CA -0.752 44.401 45.100 0.088 0.000 0.870 315 G HN 0.476 nan 8.290 nan 0.000 0.528 316 L N 1.001 122.281 121.223 0.094 0.000 2.818 316 L HA 0.405 4.745 4.340 0.000 0.000 0.243 316 L C 1.085 178.008 176.870 0.088 0.000 1.185 316 L CA 0.453 55.343 54.840 0.084 0.000 0.988 316 L CB -0.505 41.607 42.059 0.088 0.000 1.292 316 L HN 0.940 nan 8.230 nan 0.000 0.519 317 G N 0.713 109.562 108.800 0.082 0.000 2.428 317 G HA2 -0.147 3.813 3.960 0.000 0.000 0.681 317 G HA3 -0.147 3.813 3.960 0.000 0.000 0.681 317 G C 0.240 175.173 174.900 0.056 0.000 1.340 317 G CA -0.220 44.922 45.100 0.070 0.000 0.915 317 G HN 0.236 nan 8.290 nan 0.000 0.645 318 K N -0.887 119.482 120.400 -0.052 0.000 2.362 318 K HA 0.013 4.333 4.320 0.000 0.000 0.200 318 K C 1.238 177.749 176.600 -0.147 0.000 1.046 318 K CA 1.753 57.947 56.287 -0.155 0.000 0.952 318 K CB 0.000 32.295 32.500 -0.342 0.000 0.753 318 K HN 0.466 nan 8.250 nan 0.000 0.466 319 Y N 1.377 121.759 120.300 0.137 0.000 2.462 319 Y HA 0.205 4.755 4.550 0.000 0.000 0.261 319 Y C 1.174 177.200 175.900 0.209 0.000 1.146 319 Y CA -0.438 57.776 58.100 0.189 0.000 1.283 319 Y CB 0.440 38.997 38.460 0.162 0.000 1.090 319 Y HN 0.044 nan 8.280 nan 0.000 0.526 320 S N -0.258 115.616 115.700 0.290 0.000 2.652 320 S HA 0.283 4.753 4.470 0.000 0.000 0.270 320 S C -0.242 174.535 174.600 0.296 0.000 1.243 320 S CA -0.752 57.575 58.200 0.211 0.000 0.999 320 S CB 0.171 63.476 63.200 0.176 0.000 0.973 320 S HN 0.037 nan 8.310 nan 0.000 0.544 321 F N 2.287 122.332 119.950 0.158 0.000 2.623 321 F HA 0.228 4.755 4.527 0.000 0.000 0.383 321 F C 1.044 176.953 175.800 0.182 0.000 1.077 321 F CA 0.182 58.291 58.000 0.181 0.000 1.268 321 F CB -0.068 39.004 39.000 0.120 0.000 1.053 321 F HN 0.495 nan 8.300 nan 0.000 0.571 322 R N 2.122 122.865 120.500 0.406 0.000 2.229 322 R HA 0.528 4.868 4.340 0.000 0.000 0.332 322 R C 0.054 176.504 176.300 0.250 0.000 0.989 322 R CA -0.340 55.927 56.100 0.280 0.000 0.842 322 R CB 0.749 31.200 30.300 0.250 0.000 1.119 322 R HN 0.738 nan 8.270 nan 0.000 0.456 323 G N 3.982 112.888 108.800 0.176 0.000 2.539 323 G HA2 0.365 4.325 3.960 0.000 0.000 0.258 323 G HA3 0.365 4.325 3.960 0.000 0.000 0.258 323 G C -0.939 174.067 174.900 0.176 0.000 1.202 323 G CA -0.533 44.616 45.100 0.082 0.000 0.851 323 G HN 0.685 nan 8.290 nan 0.000 0.556 324 W N -0.099 121.231 121.300 0.049 0.000 3.118 324 W HA 0.758 5.418 4.660 0.000 0.000 0.328 324 W C -1.405 175.136 176.519 0.037 0.000 1.239 324 W CA -1.166 56.204 57.345 0.041 0.000 1.176 324 W CB 1.305 30.788 29.460 0.038 0.000 1.433 324 W HN 0.401 nan 8.180 nan 0.000 0.562 325 K N 1.351 122.016 120.400 0.441 0.000 2.502 325 K HA 0.759 5.079 4.320 0.000 0.000 0.257 325 K C -1.155 175.689 176.600 0.407 0.000 0.938 325 K CA -0.660 55.800 56.287 0.289 0.000 0.819 325 K CB 2.716 35.283 32.500 0.112 0.000 1.333 325 K HN 0.645 nan 8.250 nan 0.000 0.434 326 A N 1.266 124.303 122.820 0.361 0.000 2.572 326 A HA 0.701 5.021 4.320 0.000 0.000 0.295 326 A C -1.560 176.122 177.584 0.163 0.000 1.072 326 A CA -0.678 51.512 52.037 0.255 0.000 0.691 326 A CB 1.673 20.840 19.000 0.278 0.000 1.291 326 A HN 0.303 nan 8.150 nan 0.000 0.404 327 V N 1.754 121.728 119.914 0.100 0.000 2.444 327 V HA 0.528 4.648 4.120 0.000 0.000 0.294 327 V C -1.108 175.008 176.094 0.037 0.000 1.022 327 V CA -0.373 61.964 62.300 0.062 0.000 0.850 327 V CB 1.152 33.001 31.823 0.043 0.000 0.992 327 V HN 0.704 nan 8.190 nan 0.000 0.426 328 L N 8.024 129.258 121.223 0.018 0.000 2.333 328 L HA 0.632 4.972 4.340 0.000 0.000 0.280 328 L C -2.297 174.544 176.870 -0.049 0.000 1.004 328 L CA -1.901 52.926 54.840 -0.021 0.000 0.820 328 L CB 2.326 44.361 42.059 -0.040 0.000 1.247 328 L HN 0.400 nan 8.230 nan 0.000 0.416 329 P HA 0.156 nan 4.420 nan 0.000 0.270 329 P C -1.006 176.217 177.300 -0.129 0.000 1.242 329 P CA -0.240 62.821 63.100 -0.065 0.000 0.768 329 P CB 0.741 32.414 31.700 -0.045 0.000 0.820 330 L N 4.337 125.476 121.223 -0.139 0.000 2.349 330 L HA 0.354 4.694 4.340 0.000 0.000 0.278 330 L C 0.992 177.828 176.870 -0.057 0.000 0.996 330 L CA -0.129 54.555 54.840 -0.260 0.000 0.825 330 L CB 1.564 43.435 42.059 -0.314 0.000 1.243 330 L HN 0.356 nan 8.230 nan 0.000 0.412 331 T N 0.187 114.766 114.554 0.042 0.000 2.813 331 T HA 0.319 4.669 4.350 0.000 0.000 0.297 331 T C 0.396 175.232 174.700 0.227 0.000 1.036 331 T CA -0.767 61.412 62.100 0.131 0.000 1.044 331 T CB 0.451 69.396 68.868 0.128 0.000 0.993 331 T HN 0.393 nan 8.240 nan 0.000 0.535 332 K N 1.014 121.483 120.400 0.115 0.000 2.414 332 K HA 0.477 4.797 4.320 0.000 0.000 0.272 332 K C 0.984 177.603 176.600 0.032 0.000 0.993 332 K CA 0.677 57.011 56.287 0.079 0.000 0.964 332 K CB 0.012 32.534 32.500 0.037 0.000 0.925 332 K HN 1.084 nan 8.250 nan 0.000 0.487 333 G N 1.959 110.751 108.800 -0.013 0.000 2.384 333 G HA2 -0.160 3.800 3.960 0.000 0.000 0.204 333 G HA3 -0.160 3.800 3.960 0.000 0.000 0.204 333 G C -1.542 173.222 174.900 -0.227 0.000 1.237 333 G CA -0.877 44.152 45.100 -0.120 0.000 1.060 333 G HN 0.566 nan 8.290 nan 0.000 0.514 334 D N 0.834 121.045 120.400 -0.316 0.000 2.256 334 D HA 0.668 5.308 4.640 0.000 0.000 0.250 334 D C -0.026 175.948 176.300 -0.543 0.000 1.093 334 D CA 0.477 54.307 54.000 -0.284 0.000 0.882 334 D CB 0.791 41.494 40.800 -0.162 0.000 1.185 334 D HN 0.506 nan 8.370 nan 0.000 0.437 335 H N -0.561 118.499 119.070 -0.016 0.000 2.865 335 H HA 0.450 5.006 4.556 0.000 0.000 0.362 335 H C -0.948 174.364 175.328 -0.028 0.000 1.114 335 H CA -0.891 55.141 56.048 -0.027 0.000 1.208 335 H CB 1.490 31.236 29.762 -0.027 0.000 1.727 335 H HN -0.006 nan 8.280 nan 0.000 0.534 336 V N 4.956 124.916 119.914 0.077 0.000 2.318 336 V HA 0.178 4.298 4.120 0.000 0.000 0.271 336 V C -0.109 175.984 176.094 -0.003 0.000 1.030 336 V CA -0.455 61.858 62.300 0.023 0.000 0.844 336 V CB 0.200 32.017 31.823 -0.010 0.000 1.015 336 V HN 0.512 nan 8.190 nan 0.000 0.460 337 L N 6.373 127.604 121.223 0.014 0.000 2.326 337 L HA 0.601 4.941 4.340 0.000 0.000 0.278 337 L C -0.034 176.832 176.870 -0.007 0.000 1.092 337 L CA 0.059 54.897 54.840 -0.004 0.000 0.810 337 L CB 1.034 43.121 42.059 0.047 0.000 1.153 337 L HN 0.502 nan 8.230 nan 0.000 0.439 338 M N 3.315 122.887 119.600 -0.045 0.000 2.572 338 M HA 0.547 5.027 4.480 0.000 0.000 0.299 338 M C -0.913 175.441 176.300 0.090 0.000 1.205 338 M CA -0.614 54.694 55.300 0.014 0.000 0.876 338 M CB 2.602 35.197 32.600 -0.008 0.000 1.728 338 M HN 0.732 nan 8.290 nan 0.000 0.458 339 C N 0.491 119.856 119.300 0.108 0.000 2.712 339 C HA 0.930 5.390 4.460 0.000 0.000 0.308 339 C C -0.782 174.192 174.990 -0.028 0.000 1.201 339 C CA -0.839 58.194 59.018 0.026 0.000 1.554 339 C CB 2.154 29.813 27.740 -0.135 0.000 2.117 339 C HN 1.079 nan 8.230 nan 0.000 0.480 340 R N 1.798 122.204 120.500 -0.156 0.000 2.533 340 R HA 0.704 5.044 4.340 0.000 0.000 0.288 340 R C -0.924 175.176 176.300 -0.334 0.000 1.039 340 R CA -0.073 55.856 56.100 -0.285 0.000 0.909 340 R CB 1.833 31.834 30.300 -0.498 0.000 1.195 340 R HN 1.214 nan 8.270 nan 0.000 0.438 341 A N 2.049 124.703 122.820 -0.276 0.000 2.340 341 A HA 0.676 4.997 4.320 0.000 0.000 0.331 341 A C -0.554 176.910 177.584 -0.200 0.000 1.140 341 A CA -0.518 51.381 52.037 -0.230 0.000 0.801 341 A CB 1.740 20.634 19.000 -0.176 0.000 1.234 341 A HN 0.748 nan 8.150 nan 0.000 0.469 342 T N -0.236 114.221 114.554 -0.163 0.000 2.906 342 T HA 0.652 5.002 4.350 0.000 0.000 0.295 342 T C -0.588 174.064 174.700 -0.079 0.000 1.075 342 T CA -0.761 61.260 62.100 -0.132 0.000 1.005 342 T CB 1.448 70.226 68.868 -0.150 0.000 1.136 342 T HN 0.990 nan 8.240 nan 0.000 0.498 343 N N 1.006 119.670 118.700 -0.061 0.000 2.525 343 N HA 0.572 5.312 4.740 0.000 0.000 0.288 343 N C 1.213 176.709 175.510 -0.023 0.000 1.242 343 N CA -0.459 52.584 53.050 -0.013 0.000 0.905 343 N CB 0.920 39.429 38.487 0.037 0.000 1.258 343 N HN 0.769 nan 8.380 nan 0.000 0.551 344 A N -0.247 122.588 122.820 0.024 0.000 2.121 344 A HA -0.138 4.183 4.320 0.000 0.000 0.218 344 A C 1.606 179.172 177.584 -0.029 0.000 1.154 344 A CA 1.227 53.274 52.037 0.017 0.000 0.679 344 A CB -0.710 18.328 19.000 0.064 0.000 0.795 344 A HN 0.785 nan 8.150 nan 0.000 0.458 345 R N -1.502 118.931 120.500 -0.112 0.000 2.426 345 R HA 0.389 4.729 4.340 0.000 0.000 0.263 345 R C 0.962 177.161 176.300 -0.169 0.000 0.961 345 R CA 0.606 56.587 56.100 -0.197 0.000 1.086 345 R CB -0.610 29.429 30.300 -0.434 0.000 1.186 345 R HN 0.604 nan 8.270 nan 0.000 0.537 346 G N 0.788 109.513 108.800 -0.124 0.000 2.148 346 G HA2 -0.314 3.646 3.960 0.000 0.000 0.254 346 G HA3 -0.314 3.646 3.960 0.000 0.000 0.254 346 G C -0.466 174.364 174.900 -0.118 0.000 0.981 346 G CA 0.234 45.269 45.100 -0.109 0.000 0.670 346 G HN 0.564 nan 8.290 nan 0.000 0.528 347 E N 0.134 120.256 120.200 -0.131 0.000 2.366 347 E HA 0.558 4.908 4.350 0.000 0.000 0.266 347 E C 0.359 176.893 176.600 -0.111 0.000 1.051 347 E CA 0.487 56.818 56.400 -0.115 0.000 0.884 347 E CB 1.373 31.007 29.700 -0.110 0.000 1.006 347 E HN 0.155 nan 8.360 nan 0.000 0.417 348 T N 0.994 115.479 114.554 -0.114 0.000 2.812 348 T HA 0.178 4.528 4.350 0.000 0.000 0.294 348 T C -1.412 173.208 174.700 -0.132 0.000 1.159 348 T CA -0.722 61.294 62.100 -0.140 0.000 1.008 348 T CB 1.332 70.099 68.868 -0.168 0.000 1.289 348 T HN 0.380 nan 8.240 nan 0.000 0.514 349 Q N 2.419 122.123 119.800 -0.160 0.000 2.261 349 Q HA 0.404 4.745 4.340 0.000 0.000 0.252 349 Q C -2.220 173.711 176.000 -0.116 0.000 0.915 349 Q CA -1.910 53.808 55.803 -0.142 0.000 0.915 349 Q CB 1.202 29.834 28.738 -0.177 0.000 1.204 349 Q HN 0.428 nan 8.270 nan 0.000 0.421 350 P HA 0.032 nan 4.420 nan 0.000 0.274 350 P C 0.072 177.349 177.300 -0.039 0.000 1.231 350 P CA -0.194 62.876 63.100 -0.051 0.000 0.790 350 P CB 0.841 32.526 31.700 -0.026 0.000 0.951 351 M N -0.028 119.562 119.600 -0.016 0.000 2.349 351 M HA 0.013 4.493 4.480 0.000 0.000 0.266 351 M C 0.980 177.288 176.300 0.014 0.000 1.076 351 M CA 1.548 56.858 55.300 0.016 0.000 1.126 351 M CB -0.642 31.985 32.600 0.045 0.000 1.392 351 M HN 0.450 nan 8.290 nan 0.000 0.440 352 Q N -0.025 119.782 119.800 0.010 0.000 2.312 352 Q HA 0.599 4.939 4.340 0.000 0.000 0.263 352 Q C -0.619 175.394 176.000 0.022 0.000 0.995 352 Q CA -0.563 55.250 55.803 0.017 0.000 0.853 352 Q CB 2.219 30.968 28.738 0.019 0.000 1.300 352 Q HN 0.254 nan 8.270 nan 0.000 0.448 353 A N 1.771 124.612 122.820 0.035 0.000 2.462 353 A HA 0.374 4.694 4.320 0.000 0.000 0.243 353 A C 0.380 178.013 177.584 0.082 0.000 1.076 353 A CA -0.118 51.951 52.037 0.054 0.000 0.773 353 A CB 0.165 19.209 19.000 0.073 0.000 1.010 353 A HN 0.745 nan 8.150 nan 0.000 0.493 354 T N -0.976 113.633 114.554 0.092 0.000 2.910 354 T HA 0.622 4.972 4.350 0.000 0.000 0.279 354 T C -0.602 174.227 174.700 0.215 0.000 0.989 354 T CA -0.549 61.630 62.100 0.131 0.000 0.968 354 T CB 0.992 69.915 68.868 0.092 0.000 1.135 354 T HN 0.878 nan 8.240 nan 0.000 0.562 355 W N 1.507 122.809 121.300 0.003 0.000 3.127 355 W HA 0.588 5.248 4.660 0.000 0.000 0.330 355 W C -1.423 175.090 176.519 -0.010 0.000 1.187 355 W CA -0.561 56.780 57.345 -0.006 0.000 1.198 355 W CB 1.590 31.043 29.460 -0.012 0.000 1.408 355 W HN 1.095 nan 8.180 nan 0.000 0.529 356 N N 3.471 121.769 118.700 -0.670 0.000 2.610 356 N HA 0.416 5.156 4.740 0.000 0.000 0.264 356 N C -2.717 171.897 175.510 -1.493 0.000 1.348 356 N CA -1.634 50.981 53.050 -0.724 0.000 0.819 356 N CB 2.213 40.516 38.487 -0.307 0.000 1.521 356 N HN 0.022 nan 8.380 nan 0.000 0.497 357 P HA -0.046 nan 4.420 nan 0.000 0.218 357 P C 1.106 178.009 177.300 -0.660 0.000 1.148 357 P CA 1.629 64.249 63.100 -0.800 0.000 0.822 357 P CB 0.053 31.590 31.700 -0.273 0.000 0.784 358 A N -0.765 121.632 122.820 -0.706 0.000 2.123 358 A HA 0.368 4.688 4.320 0.000 0.000 0.214 358 A C 1.654 178.721 177.584 -0.862 0.000 1.152 358 A CA 0.897 52.388 52.037 -0.911 0.000 0.728 358 A CB -1.340 16.723 19.000 -1.563 0.000 0.814 358 A HN 0.239 nan 8.150 nan 0.000 0.464 359 G N -1.807 106.569 108.800 -0.707 0.000 2.225 359 G HA2 -0.253 3.708 3.960 0.000 0.000 0.264 359 G HA3 -0.253 3.708 3.960 0.000 0.000 0.264 359 G C -0.245 174.518 174.900 -0.227 0.000 1.060 359 G CA 0.344 45.175 45.100 -0.449 0.000 0.833 359 G HN 0.356 nan 8.290 nan 0.000 0.498 360 Y N -0.840 119.342 120.300 -0.197 0.000 2.354 360 Y HA 0.645 5.196 4.550 0.000 0.000 0.322 360 Y C 1.680 177.495 175.900 -0.142 0.000 1.253 360 Y CA -0.988 57.011 58.100 -0.168 0.000 1.272 360 Y CB 1.047 39.394 38.460 -0.188 0.000 1.255 360 Y HN 0.315 nan 8.280 nan 0.000 0.500 361 M N -0.460 119.156 119.600 0.025 0.000 2.872 361 M HA -0.277 4.204 4.480 0.000 0.000 0.200 361 M C 0.269 176.642 176.300 0.122 0.000 0.582 361 M CA 0.598 55.941 55.300 0.072 0.000 0.706 361 M CB -0.893 31.742 32.600 0.058 0.000 2.560 361 M HN 0.733 nan 8.290 nan 0.000 0.476 362 R N 3.046 123.609 120.500 0.105 0.000 2.538 362 R HA 0.053 4.393 4.340 0.000 0.000 0.282 362 R C 0.841 177.180 176.300 0.065 0.000 1.009 362 R CA 1.528 57.677 56.100 0.082 0.000 1.063 362 R CB 0.364 30.722 30.300 0.096 0.000 0.945 362 R HN 0.505 nan 8.270 nan 0.000 0.414 363 N N 3.569 122.270 118.700 0.003 0.000 2.261 363 N HA -0.052 4.688 4.740 0.000 0.000 0.241 363 N C -0.634 174.800 175.510 -0.125 0.000 1.374 363 N CA -0.384 52.616 53.050 -0.083 0.000 0.802 363 N CB 0.025 38.468 38.487 -0.074 0.000 1.339 363 N HN 0.258 nan 8.380 nan 0.000 0.498 364 V N 1.107 120.967 119.914 -0.089 0.000 3.032 364 V HA 0.112 4.232 4.120 0.000 0.000 0.307 364 V C 0.486 176.495 176.094 -0.140 0.000 1.097 364 V CA -0.194 62.055 62.300 -0.085 0.000 1.191 364 V CB 1.088 32.886 31.823 -0.042 0.000 0.964 364 V HN 0.081 nan 8.190 nan 0.000 0.494 365 V N 6.523 126.376 119.914 -0.102 0.000 2.493 365 V HA 0.082 4.202 4.120 0.000 0.000 0.292 365 V C 0.566 176.602 176.094 -0.096 0.000 1.016 365 V CA -0.038 62.206 62.300 -0.092 0.000 1.097 365 V CB 0.324 32.151 31.823 0.006 0.000 0.947 365 V HN 0.880 nan 8.190 nan 0.000 0.479 366 E N 3.703 123.814 120.200 -0.147 0.000 2.316 366 E HA 0.501 4.852 4.350 0.000 0.000 0.275 366 E C 0.063 176.633 176.600 -0.049 0.000 1.029 366 E CA -0.074 56.247 56.400 -0.132 0.000 0.871 366 E CB 1.673 31.269 29.700 -0.173 0.000 1.022 366 E HN 0.739 nan 8.360 nan 0.000 0.418 367 A N 2.679 125.470 122.820 -0.048 0.000 2.330 367 A HA 0.591 4.912 4.320 0.000 0.000 0.327 367 A C -0.411 177.166 177.584 -0.012 0.000 1.155 367 A CA -0.570 51.455 52.037 -0.019 0.000 0.803 367 A CB 1.088 20.077 19.000 -0.019 0.000 1.208 367 A HN 0.444 nan 8.150 nan 0.000 0.477 368 T N 2.273 116.836 114.554 0.015 0.000 2.930 368 T HA 0.325 4.675 4.350 0.000 0.000 0.313 368 T C -0.151 174.571 174.700 0.037 0.000 1.019 368 T CA -0.417 61.701 62.100 0.029 0.000 1.004 368 T CB 0.637 69.542 68.868 0.062 0.000 0.987 368 T HN 0.684 nan 8.240 nan 0.000 0.456 369 R N 3.158 123.675 120.500 0.029 0.000 2.347 369 R HA 0.503 4.843 4.340 0.000 0.000 0.304 369 R C -0.010 176.316 176.300 0.044 0.000 1.072 369 R CA -0.263 55.856 56.100 0.032 0.000 0.980 369 R CB 0.216 30.525 30.300 0.016 0.000 0.986 369 R HN 0.548 nan 8.270 nan 0.000 0.448 370 V N 2.264 122.216 119.914 0.063 0.000 3.046 370 V HA 0.624 4.744 4.120 0.000 0.000 0.316 370 V C -0.285 175.850 176.094 0.069 0.000 1.104 370 V CA -1.078 61.264 62.300 0.069 0.000 1.006 370 V CB 2.042 33.913 31.823 0.081 0.000 1.058 370 V HN 0.647 nan 8.190 nan 0.000 0.440 371 I N 2.580 123.184 120.570 0.058 0.000 2.354 371 I HA 0.708 4.879 4.170 0.000 0.000 0.286 371 I C 0.431 176.589 176.117 0.067 0.000 1.007 371 I CA -0.530 60.796 61.300 0.043 0.000 1.167 371 I CB 1.500 39.513 38.000 0.021 0.000 1.320 371 I HN 0.918 nan 8.210 nan 0.000 0.458 372 A N 5.398 128.279 122.820 0.102 0.000 2.274 372 A HA 0.902 5.222 4.320 0.000 0.000 0.309 372 A C -0.087 177.535 177.584 0.065 0.000 1.226 372 A CA -0.194 51.907 52.037 0.107 0.000 0.853 372 A CB 0.784 19.895 19.000 0.186 0.000 1.146 372 A HN 0.799 nan 8.150 nan 0.000 0.518 373 A N 0.000 122.847 122.820 0.046 0.000 2.254 373 A HA 0.000 4.320 4.320 0.000 0.000 0.244 373 A CA 0.000 52.055 52.037 0.030 0.000 0.836 373 A CB 0.000 19.013 19.000 0.022 0.000 0.831 373 A HN 0.000 nan 8.150 nan 0.000 0.486