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 1vh4_1_A DATA FIRST_RESID 9 DATA SEQUENCE NALQQWHHLF EAXXXKRSPQ AQQHLQQLLR TGLPTRKHEN WKYTPLEGLI DATA SEQUENCE NSQFVSIAGE ISPQQRDALA LTLDSVRLVF VDGRYVPALS DATEGSGYEV DATA SEQUENCE SINDDRQGLP DAIQAEVFLH LTESLAQSVT HIAVKRGQRP AKPLLLMHIT DATA SEQUENCE QGVAGEEVNT AHYRHHLDLA EGAEATVIEH FVSLNDARHF TGARFTINVA DATA SEQUENCE ANAHLQHIKL AFENPLSHHF AHNDLLLAED ATAFSHSFLL GGAVLRHNTS DATA SEQUENCE TQLNGENSTL RINSLAMPVK NEVCDTRTWL EHNKGFCNSR QLHKTIVSDK DATA SEQUENCE GRAVFNGLIN VAQHAIKTDG QMTNNNLLMG KLAEVDTKPQ LEIYADDVKC DATA SEQUENCE SHGATVGRID DEQIFYLRSR GINQQDAQQM IIYAFAAELT EALRDEGLKQ DATA SEQUENCE QVLARIGQRL PGG 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.344 175.510 -0.277 0.000 1.280 9 N CA 0.000 52.947 53.050 -0.172 0.000 0.885 9 N CB 0.000 38.414 38.487 -0.122 0.000 1.341 10 A N 1.822 124.385 122.820 -0.429 0.000 1.877 10 A HA 0.000 4.321 4.320 0.000 0.000 0.216 10 A C 2.209 179.076 177.584 -1.195 0.000 1.186 10 A CA 1.105 52.591 52.037 -0.919 0.000 0.620 10 A CB -0.682 17.644 19.000 -1.122 0.000 0.822 10 A HN 0.176 nan 8.150 nan 0.000 0.443 11 L N -1.048 119.764 121.223 -0.685 0.000 2.042 11 L HA -0.269 4.071 4.340 0.000 0.000 0.210 11 L C 3.407 180.205 176.870 -0.121 0.000 1.076 11 L CA 1.795 56.461 54.840 -0.289 0.000 0.749 11 L CB -1.080 40.887 42.059 -0.153 0.000 0.893 11 L HN 0.637 nan 8.230 nan 0.000 0.432 12 Q N 0.150 119.874 119.800 -0.126 0.000 2.096 12 Q HA -0.289 4.052 4.340 0.000 0.000 0.204 12 Q C 2.026 178.025 176.000 -0.001 0.000 0.982 12 Q CA 2.090 57.881 55.803 -0.020 0.000 0.850 12 Q CB -0.905 27.802 28.738 -0.051 0.000 0.901 12 Q HN 0.646 nan 8.270 nan 0.000 0.422 13 Q N -1.295 118.450 119.800 -0.092 0.000 2.050 13 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 13 Q C 2.134 178.202 176.000 0.114 0.000 0.980 13 Q CA 1.357 57.157 55.803 -0.005 0.000 0.840 13 Q CB -0.103 28.642 28.738 0.012 0.000 0.898 13 Q HN 0.878 nan 8.270 nan 0.000 0.424 14 W N 0.332 121.627 121.300 -0.008 0.000 2.358 14 W HA -0.138 4.523 4.660 0.002 0.000 0.303 14 W C 1.955 178.520 176.519 0.076 0.000 1.208 14 W CA 1.076 58.397 57.345 -0.041 0.000 1.274 14 W CB -1.275 28.088 29.460 -0.160 0.000 1.138 14 W HN 0.446 nan 8.180 nan 0.000 0.515 15 H N -1.256 117.917 119.070 0.172 0.000 2.319 15 H HA -0.256 4.300 4.556 0.000 0.000 0.299 15 H C 2.600 178.027 175.328 0.165 0.000 1.092 15 H CA 2.258 58.373 56.048 0.112 0.000 1.302 15 H CB -0.037 29.744 29.762 0.033 0.000 1.373 15 H HN 0.329 nan 8.280 nan 0.000 0.497 16 H N 0.408 119.600 119.070 0.203 0.000 2.389 16 H HA -0.020 4.536 4.556 0.000 0.000 0.299 16 H C 2.469 177.888 175.328 0.153 0.000 1.081 16 H CA 1.139 57.249 56.048 0.103 0.000 1.345 16 H CB -0.705 29.091 29.762 0.056 0.000 1.393 16 H HN 0.342 nan 8.280 nan 0.000 0.520 17 L N -1.346 120.002 121.223 0.209 0.000 2.083 17 L HA -0.065 4.275 4.340 0.000 0.000 0.209 17 L C 2.575 179.551 176.870 0.176 0.000 1.083 17 L CA 1.494 56.447 54.840 0.189 0.000 0.752 17 L CB -0.437 41.759 42.059 0.228 0.000 0.899 17 L HN 0.541 nan 8.230 nan 0.000 0.433 18 F N 1.201 121.207 119.950 0.093 0.000 2.084 18 F HA -0.197 4.330 4.527 -0.000 0.000 0.296 18 F C 2.444 178.282 175.800 0.063 0.000 1.111 18 F CA 1.689 59.730 58.000 0.069 0.000 1.224 18 F CB -0.085 38.972 39.000 0.095 0.000 0.991 18 F HN 0.001 nan 8.300 nan 0.000 0.471 19 E N 0.780 121.099 120.200 0.199 0.000 2.268 19 E HA -0.007 4.343 4.350 0.000 0.000 0.195 19 E C 1.253 177.834 176.600 -0.032 0.000 0.995 19 E CA 0.241 56.676 56.400 0.057 0.000 0.836 19 E CB -0.288 29.482 29.700 0.116 0.000 0.763 19 E HN 0.432 nan 8.360 nan 0.000 0.491 25 R N 1.783 122.186 120.500 -0.161 0.000 2.543 25 R HA 0.249 4.590 4.340 0.000 0.000 0.277 25 R C -0.170 176.121 176.300 -0.015 0.000 1.074 25 R CA 0.196 56.191 56.100 -0.175 0.000 1.076 25 R CB 0.509 30.518 30.300 -0.485 0.000 0.993 25 R HN 0.703 nan 8.270 nan 0.000 0.459 26 S N 2.548 118.264 115.700 0.027 0.000 2.584 26 S HA 0.111 4.581 4.470 0.000 0.000 0.270 26 S C -1.676 172.982 174.600 0.097 0.000 1.346 26 S CA -1.046 57.188 58.200 0.056 0.000 1.018 26 S CB 0.877 64.110 63.200 0.056 0.000 0.899 26 S HN 0.301 nan 8.310 nan 0.000 0.542 27 P HA -0.071 nan 4.420 nan 0.000 0.217 27 P C 1.329 178.672 177.300 0.072 0.000 1.150 27 P CA 1.074 64.214 63.100 0.067 0.000 0.832 27 P CB 0.005 31.727 31.700 0.037 0.000 0.787 28 Q N -0.233 119.616 119.800 0.082 0.000 2.050 28 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 28 Q C 2.322 178.439 176.000 0.194 0.000 0.980 28 Q CA 2.077 57.949 55.803 0.114 0.000 0.840 28 Q CB -1.593 27.215 28.738 0.117 0.000 0.898 28 Q HN 0.166 nan 8.270 nan 0.000 0.424 29 A N 0.124 123.056 122.820 0.187 0.000 1.902 29 A HA -0.273 4.047 4.320 0.000 0.000 0.217 29 A C 2.117 179.816 177.584 0.192 0.000 1.181 29 A CA 1.898 54.078 52.037 0.238 0.000 0.623 29 A CB -1.018 18.166 19.000 0.306 0.000 0.818 29 A HN 0.323 nan 8.150 nan 0.000 0.443 30 Q N -0.467 119.469 119.800 0.227 0.000 2.096 30 Q HA -0.269 4.071 4.340 0.000 0.000 0.204 30 Q C 2.282 178.218 176.000 -0.107 0.000 0.982 30 Q CA 2.284 58.128 55.803 0.069 0.000 0.850 30 Q CB -0.644 28.185 28.738 0.151 0.000 0.901 30 Q HN 0.887 nan 8.270 nan 0.000 0.422 31 Q N -1.322 118.436 119.800 -0.070 0.000 2.084 31 Q HA -0.151 4.190 4.340 0.000 0.000 0.202 31 Q C 2.317 178.150 176.000 -0.278 0.000 0.978 31 Q CA 1.620 57.319 55.803 -0.173 0.000 0.844 31 Q CB -0.240 28.390 28.738 -0.179 0.000 0.898 31 Q HN 0.721 nan 8.270 nan 0.000 0.426 32 H N 0.025 118.997 119.070 -0.164 0.000 2.389 32 H HA -0.095 4.461 4.556 0.002 0.000 0.299 32 H C 2.204 177.338 175.328 -0.323 0.000 1.081 32 H CA 1.167 57.100 56.048 -0.192 0.000 1.345 32 H CB 0.040 29.780 29.762 -0.035 0.000 1.393 32 H HN 0.173 nan 8.280 nan 0.000 0.520 33 L N 1.119 122.169 121.223 -0.288 0.000 2.046 33 L HA -0.203 4.138 4.340 0.000 0.000 0.208 33 L C 2.739 179.351 176.870 -0.430 0.000 1.077 33 L CA 1.682 56.232 54.840 -0.483 0.000 0.747 33 L CB -0.919 40.570 42.059 -0.950 0.000 0.896 33 L HN 0.021 nan 8.230 nan 0.000 0.432 34 Q N -0.800 118.773 119.800 -0.377 0.000 2.061 34 Q HA -0.311 4.030 4.340 0.000 0.000 0.204 34 Q C 2.391 178.203 176.000 -0.313 0.000 0.984 34 Q CA 2.099 57.717 55.803 -0.309 0.000 0.846 34 Q CB -0.542 28.053 28.738 -0.238 0.000 0.902 34 Q HN 0.790 nan 8.270 nan 0.000 0.421 35 Q N -0.257 119.305 119.800 -0.397 0.000 2.119 35 Q HA -0.066 4.274 4.340 0.000 0.000 0.201 35 Q C 1.974 177.706 176.000 -0.447 0.000 0.972 35 Q CA 1.828 57.337 55.803 -0.491 0.000 0.847 35 Q CB -0.627 27.607 28.738 -0.841 0.000 0.903 35 Q HN 0.538 nan 8.270 nan 0.000 0.433 36 L N -0.311 120.665 121.223 -0.411 0.000 1.989 36 L HA -0.140 4.200 4.340 0.000 0.000 0.211 36 L C 1.920 178.669 176.870 -0.201 0.000 1.071 36 L CA 1.846 56.543 54.840 -0.239 0.000 0.749 36 L CB -0.619 41.321 42.059 -0.198 0.000 0.890 36 L HN 0.369 nan 8.230 nan 0.000 0.431 37 L N -0.816 120.266 121.223 -0.235 0.000 2.191 37 L HA -0.168 4.172 4.340 0.000 0.000 0.212 37 L C 2.764 179.539 176.870 -0.158 0.000 1.103 37 L CA 1.309 56.029 54.840 -0.199 0.000 0.769 37 L CB -0.493 41.413 42.059 -0.256 0.000 0.908 37 L HN 0.333 nan 8.230 nan 0.000 0.438 38 R N -0.541 119.857 120.500 -0.170 0.000 2.093 38 R HA -0.081 4.259 4.340 0.000 0.000 0.224 38 R C 2.157 178.394 176.300 -0.104 0.000 1.101 38 R CA 1.475 57.496 56.100 -0.132 0.000 0.979 38 R CB 0.010 30.221 30.300 -0.148 0.000 0.877 38 R HN 0.159 nan 8.270 nan 0.000 0.441 39 T N -0.315 114.172 114.554 -0.113 0.000 2.978 39 T HA 0.191 4.542 4.350 0.000 0.000 0.262 39 T C 0.733 175.387 174.700 -0.078 0.000 1.063 39 T CA 0.755 62.813 62.100 -0.069 0.000 1.140 39 T CB -0.083 68.763 68.868 -0.036 0.000 0.886 39 T HN 0.621 nan 8.240 nan 0.000 0.470 40 G N 1.132 109.869 108.800 -0.104 0.000 2.804 40 G HA2 -0.200 3.760 3.960 0.000 0.000 0.230 40 G HA3 -0.200 3.760 3.960 0.000 0.000 0.230 40 G C -0.625 174.183 174.900 -0.153 0.000 1.386 40 G CA -0.782 44.250 45.100 -0.115 0.000 0.875 40 G HN 0.487 nan 8.290 nan 0.000 0.557 41 L N 2.045 123.165 121.223 -0.171 0.000 2.350 41 L HA 0.496 4.836 4.340 0.000 0.000 0.275 41 L C -0.931 175.782 176.870 -0.262 0.000 1.099 41 L CA -1.576 53.116 54.840 -0.246 0.000 0.808 41 L CB 1.166 43.096 42.059 -0.215 0.000 1.149 41 L HN 0.638 nan 8.230 nan 0.000 0.442 42 P HA 0.299 nan 4.420 nan 0.000 0.278 42 P C -0.693 176.458 177.300 -0.249 0.000 1.258 42 P CA -0.396 62.476 63.100 -0.380 0.000 0.811 42 P CB 1.377 32.577 31.700 -0.834 0.000 1.063 43 T N -2.053 112.465 114.554 -0.060 0.000 2.919 43 T HA 0.352 4.703 4.350 0.000 0.000 0.282 43 T C 1.250 176.011 174.700 0.101 0.000 1.020 43 T CA -0.848 61.254 62.100 0.004 0.000 0.994 43 T CB 0.967 69.848 68.868 0.022 0.000 1.180 43 T HN 0.152 nan 8.240 nan 0.000 0.566 44 R N 0.247 120.803 120.500 0.094 0.000 2.285 44 R HA 0.047 4.387 4.340 0.000 0.000 0.213 44 R C 1.712 178.063 176.300 0.086 0.000 1.068 44 R CA 0.813 56.978 56.100 0.108 0.000 1.004 44 R CB -0.353 29.989 30.300 0.070 0.000 0.873 44 R HN 0.677 nan 8.270 nan 0.000 0.467 45 K N -0.618 119.835 120.400 0.088 0.000 2.400 45 K HA -0.025 4.295 4.320 0.000 0.000 0.194 45 K C 0.409 177.066 176.600 0.095 0.000 1.033 45 K CA -0.036 56.289 56.287 0.063 0.000 1.021 45 K CB 0.030 32.556 32.500 0.043 0.000 0.808 45 K HN 0.185 nan 8.250 nan 0.000 0.505 46 H N 1.497 120.626 119.070 0.099 0.000 2.764 46 H HA -0.031 4.525 4.556 0.000 0.000 0.341 46 H C 1.296 176.706 175.328 0.137 0.000 1.072 46 H CA 0.425 56.565 56.048 0.153 0.000 1.444 46 H CB 0.939 30.865 29.762 0.273 0.000 1.458 46 H HN 0.078 nan 8.280 nan 0.000 0.572 47 E N 2.888 122.934 120.200 -0.257 0.000 2.136 47 E HA -0.320 4.030 4.350 0.000 0.000 0.202 47 E C 0.385 177.028 176.600 0.071 0.000 1.019 47 E CA 1.588 57.928 56.400 -0.100 0.000 0.819 47 E CB 0.109 29.703 29.700 -0.177 0.000 0.739 47 E HN 0.677 nan 8.360 nan 0.000 0.458 48 N N -1.447 117.460 118.700 0.344 0.000 2.251 48 N HA 0.030 4.771 4.740 0.000 0.000 0.217 48 N C -0.604 174.758 175.510 -0.248 0.000 1.124 48 N CA 0.201 53.282 53.050 0.052 0.000 0.843 48 N CB 0.303 38.801 38.487 0.018 0.000 1.024 48 N HN 0.262 nan 8.380 nan 0.000 0.501 49 W N 0.035 121.418 121.300 0.138 0.000 2.190 49 W HA 0.345 5.005 4.660 0.001 0.000 0.337 49 W C 1.651 178.146 176.519 -0.041 0.000 0.911 49 W CA -0.583 56.809 57.345 0.078 0.000 1.925 49 W CB 0.458 29.985 29.460 0.112 0.000 1.134 49 W HN -0.114 nan 8.180 nan 0.000 0.536 50 K N -0.036 120.289 120.400 -0.125 0.000 2.209 50 K HA -0.144 4.177 4.320 0.000 0.000 0.204 50 K C 0.466 176.833 176.600 -0.389 0.000 1.048 50 K CA 1.523 57.569 56.287 -0.402 0.000 0.940 50 K CB 0.016 32.002 32.500 -0.858 0.000 0.729 50 K HN 0.327 nan 8.250 nan 0.000 0.451 51 Y N -0.977 119.392 120.300 0.115 0.000 2.500 51 Y HA 0.216 4.767 4.550 0.000 0.000 0.246 51 Y C -0.185 175.782 175.900 0.111 0.000 1.146 51 Y CA -0.651 57.503 58.100 0.090 0.000 1.230 51 Y CB 1.253 39.737 38.460 0.041 0.000 1.214 51 Y HN -0.220 nan 8.280 nan 0.000 0.526 52 T N 4.753 119.472 114.554 0.276 0.000 2.842 52 T HA 0.270 4.620 4.350 0.000 0.000 0.308 52 T C -2.769 172.173 174.700 0.402 0.000 1.041 52 T CA -1.631 60.652 62.100 0.305 0.000 0.964 52 T CB 1.389 70.409 68.868 0.254 0.000 0.972 52 T HN -0.111 nan 8.240 nan 0.000 0.460 53 P HA 0.292 nan 4.420 nan 0.000 0.276 53 P C -0.044 177.451 177.300 0.325 0.000 1.230 53 P CA -0.370 62.894 63.100 0.273 0.000 0.776 53 P CB 1.371 33.194 31.700 0.205 0.000 0.888 54 L N 1.649 123.012 121.223 0.233 0.000 2.731 54 L HA 0.087 4.427 4.340 0.000 0.000 0.240 54 L C 1.889 178.811 176.870 0.086 0.000 1.120 54 L CA 0.209 55.151 54.840 0.170 0.000 0.913 54 L CB -0.067 42.034 42.059 0.070 0.000 1.213 54 L HN 0.210 nan 8.230 nan 0.000 0.515 55 E N 1.053 121.307 120.200 0.090 0.000 2.038 55 E HA -0.188 4.162 4.350 0.000 0.000 0.195 55 E C 2.191 178.812 176.600 0.034 0.000 1.000 55 E CA 1.613 58.040 56.400 0.046 0.000 0.803 55 E CB -0.466 29.266 29.700 0.053 0.000 0.750 55 E HN 0.406 nan 8.360 nan 0.000 0.448 56 G N 0.046 108.903 108.800 0.095 0.000 2.501 56 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 56 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 56 G C 1.417 176.288 174.900 -0.049 0.000 1.114 56 G CA 0.835 45.996 45.100 0.102 0.000 0.757 56 G HN 0.168 nan 8.290 nan 0.000 0.559 57 L N -0.346 120.777 121.223 -0.167 0.000 2.349 57 L HA 0.432 4.772 4.340 0.000 0.000 0.200 57 L C 2.536 179.351 176.870 -0.091 0.000 1.064 57 L CA 0.614 55.248 54.840 -0.343 0.000 0.821 57 L CB -0.245 41.465 42.059 -0.582 0.000 1.027 57 L HN 0.130 nan 8.230 nan 0.000 0.476 58 I N 0.807 121.340 120.570 -0.061 0.000 2.208 58 I HA -0.262 3.909 4.170 0.000 0.000 0.245 58 I C 0.571 176.628 176.117 -0.100 0.000 1.097 58 I CA 1.020 62.276 61.300 -0.074 0.000 1.363 58 I CB -0.423 37.521 38.000 -0.093 0.000 1.051 58 I HN 0.363 nan 8.210 nan 0.000 0.413 59 N N 1.509 120.148 118.700 -0.102 0.000 2.623 59 N HA 0.122 4.862 4.740 0.000 0.000 0.263 59 N C -0.517 174.893 175.510 -0.167 0.000 1.218 59 N CA 0.204 53.187 53.050 -0.113 0.000 0.949 59 N CB 0.370 38.813 38.487 -0.074 0.000 1.270 59 N HN 0.154 nan 8.380 nan 0.000 0.507 60 S N 0.054 115.586 115.700 -0.279 0.000 2.634 60 S HA 0.394 4.864 4.470 0.000 0.000 0.296 60 S C -0.357 173.898 174.600 -0.575 0.000 1.104 60 S CA -0.826 57.105 58.200 -0.449 0.000 0.920 60 S CB 2.299 65.116 63.200 -0.639 0.000 1.111 60 S HN 0.045 nan 8.310 nan 0.000 0.493 61 Q N 1.277 120.791 119.800 -0.475 0.000 2.314 61 Q HA 0.464 4.804 4.340 0.000 0.000 0.259 61 Q C -1.298 174.486 176.000 -0.359 0.000 0.951 61 Q CA 0.069 55.686 55.803 -0.310 0.000 0.909 61 Q CB 0.695 29.350 28.738 -0.138 0.000 1.236 61 Q HN 0.518 nan 8.270 nan 0.000 0.444 62 F N 1.460 121.438 119.950 0.048 0.000 2.397 62 F HA 0.566 5.093 4.527 -0.001 0.000 0.331 62 F C 0.743 176.621 175.800 0.131 0.000 1.090 62 F CA -0.838 57.245 58.000 0.137 0.000 1.065 62 F CB 1.299 40.447 39.000 0.246 0.000 1.184 62 F HN 0.239 nan 8.300 nan 0.000 0.499 63 V N -1.151 118.968 119.914 0.342 0.000 3.160 63 V HA 0.786 4.906 4.120 0.000 0.000 0.310 63 V C -0.883 175.353 176.094 0.237 0.000 1.181 63 V CA -0.909 61.530 62.300 0.232 0.000 1.047 63 V CB 1.691 33.604 31.823 0.151 0.000 1.068 63 V HN 0.687 nan 8.190 nan 0.000 0.441 64 S N 1.433 117.234 115.700 0.168 0.000 2.389 64 S HA 0.643 5.113 4.470 0.000 0.000 0.201 64 S C -0.906 173.750 174.600 0.095 0.000 1.422 64 S CA -0.475 57.807 58.200 0.137 0.000 1.216 64 S CB -0.331 62.943 63.200 0.124 0.000 1.130 64 S HN 0.666 nan 8.310 nan 0.000 0.465 65 I N 3.635 124.260 120.570 0.092 0.000 2.362 65 I HA 0.501 4.671 4.170 0.000 0.000 0.289 65 I C 0.373 176.526 176.117 0.059 0.000 0.994 65 I CA -0.799 60.543 61.300 0.070 0.000 1.158 65 I CB 1.715 39.758 38.000 0.072 0.000 1.315 65 I HN 0.653 nan 8.210 nan 0.000 0.451 66 A N 5.776 128.624 122.820 0.046 0.000 2.506 66 A HA 0.626 4.946 4.320 0.000 0.000 0.320 66 A C 0.532 178.139 177.584 0.038 0.000 1.424 66 A CA -0.347 51.714 52.037 0.041 0.000 1.044 66 A CB -0.270 18.750 19.000 0.034 0.000 1.140 66 A HN 0.835 nan 8.150 nan 0.000 0.538 67 G N 1.009 109.835 108.800 0.043 0.000 2.537 67 G HA2 0.464 4.424 3.960 0.000 0.000 0.273 67 G HA3 0.464 4.424 3.960 0.000 0.000 0.273 67 G C -0.219 174.696 174.900 0.026 0.000 1.189 67 G CA -0.399 44.722 45.100 0.036 0.000 0.881 67 G HN 0.761 nan 8.290 nan 0.000 0.535 68 E N -0.216 119.995 120.200 0.018 0.000 2.179 68 E HA 0.550 4.900 4.350 0.000 0.000 0.275 68 E C -0.786 175.817 176.600 0.005 0.000 0.945 68 E CA -0.601 55.802 56.400 0.005 0.000 0.792 68 E CB 1.252 30.952 29.700 0.000 0.000 1.125 68 E HN 0.307 nan 8.360 nan 0.000 0.397 69 I N 2.489 123.056 120.570 -0.005 0.000 2.689 69 I HA 0.209 4.379 4.170 0.000 0.000 0.299 69 I C -0.017 176.091 176.117 -0.015 0.000 1.059 69 I CA -0.720 60.577 61.300 -0.004 0.000 1.055 69 I CB 2.195 40.195 38.000 -0.001 0.000 1.243 69 I HN 0.578 nan 8.210 nan 0.000 0.425 70 S N 5.029 120.723 115.700 -0.009 0.000 2.652 70 S HA 0.430 4.900 4.470 0.000 0.000 0.270 70 S C -1.948 172.641 174.600 -0.018 0.000 1.243 70 S CA -1.086 57.106 58.200 -0.014 0.000 0.999 70 S CB 1.269 64.465 63.200 -0.006 0.000 0.973 70 S HN 0.418 nan 8.310 nan 0.000 0.544 71 P HA -0.078 nan 4.420 nan 0.000 0.218 71 P C 1.068 178.361 177.300 -0.012 0.000 1.149 71 P CA 1.157 64.243 63.100 -0.024 0.000 0.817 71 P CB -0.020 31.665 31.700 -0.026 0.000 0.785 72 Q N 0.139 119.935 119.800 -0.006 0.000 2.084 72 Q HA -0.147 4.194 4.340 0.000 0.000 0.202 72 Q C 2.442 178.447 176.000 0.008 0.000 0.978 72 Q CA 1.631 57.435 55.803 0.002 0.000 0.844 72 Q CB -0.970 27.770 28.738 0.004 0.000 0.898 72 Q HN 0.414 nan 8.270 nan 0.000 0.426 73 Q N -0.258 119.546 119.800 0.008 0.000 2.119 73 Q HA -0.121 4.220 4.340 0.000 0.000 0.201 73 Q C 2.122 178.132 176.000 0.017 0.000 0.972 73 Q CA 1.044 56.857 55.803 0.016 0.000 0.847 73 Q CB -0.138 28.610 28.738 0.016 0.000 0.903 73 Q HN 0.271 nan 8.270 nan 0.000 0.433 74 R N 0.925 121.428 120.500 0.005 0.000 2.066 74 R HA -0.161 4.179 4.340 0.000 0.000 0.232 74 R C 1.165 177.474 176.300 0.016 0.000 1.131 74 R CA 1.752 57.854 56.100 0.003 0.000 0.955 74 R CB -0.029 30.259 30.300 -0.019 0.000 0.851 74 R HN 0.232 nan 8.270 nan 0.000 0.432 75 D N 0.540 120.947 120.400 0.012 0.000 2.178 75 D HA -0.120 4.520 4.640 0.000 0.000 0.201 75 D C 1.682 178.001 176.300 0.031 0.000 0.980 75 D CA 1.327 55.337 54.000 0.018 0.000 0.842 75 D CB -0.145 40.660 40.800 0.009 0.000 0.948 75 D HN 0.407 nan 8.370 nan 0.000 0.472 76 A N 0.361 123.201 122.820 0.033 0.000 2.015 76 A HA -0.040 4.280 4.320 0.000 0.000 0.219 76 A C 2.204 179.825 177.584 0.062 0.000 1.163 76 A CA 0.741 52.803 52.037 0.041 0.000 0.646 76 A CB -0.382 18.640 19.000 0.037 0.000 0.806 76 A HN 0.210 nan 8.150 nan 0.000 0.448 77 L N -1.164 120.101 121.223 0.070 0.000 2.590 77 L HA 0.272 4.612 4.340 0.000 0.000 0.227 77 L C 1.268 178.238 176.870 0.167 0.000 1.099 77 L CA -0.033 54.869 54.840 0.104 0.000 0.872 77 L CB -0.091 42.012 42.059 0.072 0.000 1.088 77 L HN 0.333 nan 8.230 nan 0.000 0.479 78 A N 0.742 123.639 122.820 0.129 0.000 2.386 78 A HA 0.454 4.774 4.320 0.000 0.000 0.248 78 A C 0.019 177.670 177.584 0.110 0.000 1.082 78 A CA -0.365 51.760 52.037 0.146 0.000 0.789 78 A CB 0.211 19.252 19.000 0.068 0.000 1.025 78 A HN 0.136 nan 8.150 nan 0.000 0.490 79 L N 0.803 122.050 121.223 0.041 0.000 2.452 79 L HA 0.212 4.552 4.340 0.000 0.000 0.267 79 L C 0.610 177.458 176.870 -0.036 0.000 1.188 79 L CA -0.099 54.699 54.840 -0.069 0.000 0.821 79 L CB 0.619 42.537 42.059 -0.236 0.000 1.102 79 L HN 0.672 nan 8.230 nan 0.000 0.470 80 T N 4.327 118.860 114.554 -0.035 0.000 2.739 80 T HA 0.528 4.878 4.350 0.000 0.000 0.298 80 T C -0.480 174.195 174.700 -0.042 0.000 0.929 80 T CA -0.077 62.006 62.100 -0.028 0.000 1.014 80 T CB 0.054 68.910 68.868 -0.020 0.000 0.914 80 T HN 0.293 nan 8.240 nan 0.000 0.509 81 L N 3.559 124.759 121.223 -0.038 0.000 2.643 81 L HA 0.415 4.755 4.340 0.000 0.000 0.257 81 L C -1.744 175.110 176.870 -0.027 0.000 0.922 81 L CA -0.665 54.150 54.840 -0.041 0.000 0.909 81 L CB 2.208 44.230 42.059 -0.061 0.000 1.424 81 L HN 0.327 nan 8.230 nan 0.000 0.422 82 D N 2.479 122.867 120.400 -0.020 0.000 2.352 82 D HA 0.607 5.247 4.640 0.000 0.000 0.245 82 D C -0.556 175.743 176.300 -0.001 0.000 1.224 82 D CA 0.844 54.839 54.000 -0.009 0.000 0.879 82 D CB 0.667 41.465 40.800 -0.004 0.000 1.057 82 D HN 0.745 nan 8.370 nan 0.000 0.491 83 S N 1.283 116.982 115.700 -0.001 0.000 2.752 83 S HA 0.480 4.950 4.470 0.000 0.000 0.284 83 S C -1.038 173.566 174.600 0.007 0.000 1.189 83 S CA -0.945 57.259 58.200 0.006 0.000 0.835 83 S CB 0.975 64.164 63.200 -0.019 0.000 1.192 83 S HN 0.042 nan 8.310 nan 0.000 0.506 84 V N 1.953 121.866 119.914 -0.001 0.000 2.304 84 V HA 0.465 4.586 4.120 0.000 0.000 0.262 84 V C 0.432 176.483 176.094 -0.073 0.000 1.061 84 V CA -0.370 61.919 62.300 -0.019 0.000 0.872 84 V CB -0.059 31.758 31.823 -0.009 0.000 1.077 84 V HN 0.778 nan 8.190 nan 0.000 0.480 85 R N 5.436 125.906 120.500 -0.049 0.000 2.265 85 R HA 0.590 4.931 4.340 0.000 0.000 0.319 85 R C -1.118 175.140 176.300 -0.069 0.000 1.006 85 R CA -0.541 55.523 56.100 -0.060 0.000 0.880 85 R CB 0.742 31.014 30.300 -0.048 0.000 1.077 85 R HN 0.631 nan 8.270 nan 0.000 0.454 86 L N 5.147 126.323 121.223 -0.078 0.000 2.296 86 L HA 0.465 4.806 4.340 0.000 0.000 0.286 86 L C -0.658 176.048 176.870 -0.273 0.000 1.023 86 L CA -1.143 53.629 54.840 -0.112 0.000 0.812 86 L CB 1.903 43.938 42.059 -0.040 0.000 1.223 86 L HN 0.362 nan 8.230 nan 0.000 0.421 87 V N 3.514 123.167 119.914 -0.436 0.000 2.398 87 V HA 0.458 4.578 4.120 0.000 0.000 0.286 87 V C -0.543 175.182 176.094 -0.615 0.000 1.026 87 V CA -0.358 61.704 62.300 -0.397 0.000 0.868 87 V CB 1.512 33.185 31.823 -0.249 0.000 0.982 87 V HN 0.371 nan 8.190 nan 0.000 0.443 88 F N 3.510 123.403 119.950 -0.094 0.000 2.467 88 F HA 0.700 5.224 4.527 -0.005 0.000 0.336 88 F C -0.111 175.748 175.800 0.098 0.000 1.123 88 F CA -0.921 57.114 58.000 0.058 0.000 0.964 88 F CB 2.015 41.089 39.000 0.123 0.000 1.136 88 F HN 0.147 nan 8.300 nan 0.000 0.447 89 V N 2.600 122.677 119.914 0.272 0.000 2.483 89 V HA 0.289 4.410 4.120 0.000 0.000 0.297 89 V C -0.670 175.552 176.094 0.213 0.000 1.027 89 V CA -1.170 61.247 62.300 0.195 0.000 0.855 89 V CB 1.463 33.327 31.823 0.070 0.000 0.995 89 V HN 0.794 nan 8.190 nan 0.000 0.424 90 D N 4.318 124.851 120.400 0.222 0.000 2.686 90 D HA -0.195 4.445 4.640 0.000 0.000 0.235 90 D C 1.311 177.618 176.300 0.011 0.000 1.160 90 D CA 1.761 55.830 54.000 0.115 0.000 0.645 90 D CB -0.976 39.866 40.800 0.070 0.000 1.039 90 D HN 1.471 nan 8.370 nan 0.000 0.423 91 G N -0.524 108.204 108.800 -0.120 0.000 2.179 91 G HA2 -0.358 3.602 3.960 0.000 0.000 0.260 91 G HA3 -0.358 3.602 3.960 0.000 0.000 0.260 91 G C 0.323 175.207 174.900 -0.026 0.000 0.977 91 G CA 0.446 45.295 45.100 -0.418 0.000 0.641 91 G HN 0.542 nan 8.290 nan 0.000 0.533 92 R N -0.875 119.734 120.500 0.180 0.000 2.621 92 R HA 0.498 4.838 4.340 0.000 0.000 0.292 92 R C -0.528 175.966 176.300 0.323 0.000 0.969 92 R CA -0.998 55.234 56.100 0.220 0.000 0.887 92 R CB 1.505 31.870 30.300 0.109 0.000 1.180 92 R HN 0.180 nan 8.270 nan 0.000 0.450 93 Y N 2.478 122.903 120.300 0.207 0.000 2.511 93 Y HA 0.140 4.689 4.550 -0.002 0.000 0.332 93 Y C -0.506 175.328 175.900 -0.110 0.000 1.177 93 Y CA 0.019 58.090 58.100 -0.048 0.000 1.422 93 Y CB 0.841 39.284 38.460 -0.028 0.000 1.271 93 Y HN 0.231 nan 8.280 nan 0.000 0.550 94 V N 10.035 129.496 119.914 -0.755 0.000 2.284 94 V HA 0.200 4.320 4.120 0.000 0.000 0.274 94 V C -1.840 173.723 176.094 -0.885 0.000 1.023 94 V CA -1.434 60.501 62.300 -0.608 0.000 0.808 94 V CB 1.107 32.734 31.823 -0.327 0.000 1.035 94 V HN 0.725 nan 8.190 nan 0.000 0.445 95 P HA -0.163 nan 4.420 nan 0.000 0.216 95 P C 1.615 178.730 177.300 -0.308 0.000 1.150 95 P CA 1.684 64.448 63.100 -0.560 0.000 0.837 95 P CB 0.336 31.902 31.700 -0.224 0.000 0.786 96 A N -0.928 121.751 122.820 -0.236 0.000 2.070 96 A HA -0.104 4.216 4.320 0.000 0.000 0.220 96 A C 2.036 179.531 177.584 -0.149 0.000 1.159 96 A CA 1.281 53.228 52.037 -0.150 0.000 0.656 96 A CB -1.363 17.569 19.000 -0.113 0.000 0.800 96 A HN 0.190 nan 8.150 nan 0.000 0.453 97 L N -0.813 120.288 121.223 -0.203 0.000 2.693 97 L HA 0.155 4.495 4.340 0.000 0.000 0.235 97 L C 0.234 176.995 176.870 -0.181 0.000 1.127 97 L CA -0.234 54.505 54.840 -0.169 0.000 0.914 97 L CB 0.323 42.281 42.059 -0.169 0.000 1.193 97 L HN 0.133 nan 8.230 nan 0.000 0.502 98 S N -0.812 114.749 115.700 -0.230 0.000 2.651 98 S HA 0.320 4.790 4.470 0.000 0.000 0.291 98 S C -0.481 174.069 174.600 -0.084 0.000 1.141 98 S CA -0.802 57.292 58.200 -0.175 0.000 1.027 98 S CB 1.675 64.738 63.200 -0.229 0.000 1.043 98 S HN 0.012 nan 8.310 nan 0.000 0.530 99 D N 1.317 121.690 120.400 -0.044 0.000 2.358 99 D HA 0.467 5.108 4.640 0.000 0.000 0.244 99 D C 0.151 176.460 176.300 0.015 0.000 1.163 99 D CA -0.209 53.783 54.000 -0.014 0.000 0.945 99 D CB 0.577 41.372 40.800 -0.009 0.000 1.152 99 D HN 0.602 nan 8.370 nan 0.000 0.451 100 A N 0.108 122.941 122.820 0.022 0.000 2.440 100 A HA 0.340 4.661 4.320 0.000 0.000 0.251 100 A C 1.109 178.726 177.584 0.055 0.000 1.089 100 A CA -0.019 52.041 52.037 0.038 0.000 0.779 100 A CB 0.070 19.089 19.000 0.031 0.000 1.022 100 A HN 0.609 nan 8.150 nan 0.000 0.492 101 T N -0.391 114.203 114.554 0.066 0.000 2.990 101 T HA 0.152 4.502 4.350 0.000 0.000 0.249 101 T C 0.581 175.334 174.700 0.089 0.000 1.039 101 T CA 0.378 62.530 62.100 0.086 0.000 1.036 101 T CB -0.234 68.678 68.868 0.073 0.000 0.994 101 T HN 0.712 nan 8.240 nan 0.000 0.489 102 E N 1.410 121.649 120.200 0.064 0.000 2.328 102 E HA 0.378 4.728 4.350 0.000 0.000 0.265 102 E C 1.113 177.741 176.600 0.048 0.000 1.057 102 E CA 0.647 57.078 56.400 0.052 0.000 0.916 102 E CB -0.383 29.341 29.700 0.041 0.000 0.993 102 E HN 0.572 nan 8.360 nan 0.000 0.446 103 G N 3.107 111.934 108.800 0.044 0.000 2.176 103 G HA2 -0.348 3.612 3.960 0.000 0.000 0.253 103 G HA3 -0.348 3.612 3.960 0.000 0.000 0.253 103 G C 0.838 175.762 174.900 0.040 0.000 0.979 103 G CA 0.649 45.769 45.100 0.033 0.000 0.641 103 G HN 0.699 nan 8.290 nan 0.000 0.530 104 S N -0.712 115.031 115.700 0.072 0.000 2.528 104 S HA 0.429 4.899 4.470 0.000 0.000 0.219 104 S C 2.221 176.849 174.600 0.047 0.000 0.985 104 S CA 1.476 59.740 58.200 0.107 0.000 0.914 104 S CB 0.392 63.718 63.200 0.211 0.000 0.776 104 S HN 2.361 nan 8.310 nan 0.000 0.526 105 G N -0.221 108.563 108.800 -0.027 0.000 2.238 105 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 105 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 105 G C -0.236 174.489 174.900 -0.292 0.000 0.996 105 G CA -0.118 44.865 45.100 -0.195 0.000 0.632 105 G HN 0.545 nan 8.290 nan 0.000 0.503 106 Y N 1.385 121.703 120.300 0.030 0.000 2.331 106 Y HA 0.605 5.156 4.550 0.002 0.000 0.338 106 Y C 0.446 176.366 175.900 0.033 0.000 0.976 106 Y CA -0.795 57.326 58.100 0.036 0.000 1.137 106 Y CB 1.463 39.946 38.460 0.038 0.000 1.172 106 Y HN 0.202 nan 8.280 nan 0.000 0.478 107 E N 3.432 123.728 120.200 0.160 0.000 2.129 107 E HA 0.444 4.795 4.350 0.000 0.000 0.283 107 E C -1.461 175.213 176.600 0.123 0.000 1.080 107 E CA -0.302 56.165 56.400 0.112 0.000 0.867 107 E CB 0.566 30.313 29.700 0.078 0.000 1.056 107 E HN 0.450 nan 8.360 nan 0.000 0.404 108 V N 3.719 123.691 119.914 0.097 0.000 2.540 108 V HA 0.381 4.501 4.120 0.000 0.000 0.302 108 V C -0.550 175.575 176.094 0.051 0.000 1.035 108 V CA -0.721 61.621 62.300 0.071 0.000 0.873 108 V CB 2.093 33.933 31.823 0.028 0.000 0.992 108 V HN 0.613 nan 8.190 nan 0.000 0.428 109 S N 5.166 120.913 115.700 0.078 0.000 2.594 109 S HA 0.692 5.162 4.470 0.000 0.000 0.296 109 S C -0.669 173.993 174.600 0.103 0.000 1.124 109 S CA -0.376 57.871 58.200 0.078 0.000 1.011 109 S CB 1.500 64.746 63.200 0.075 0.000 1.016 109 S HN 0.547 nan 8.310 nan 0.000 0.485 110 I N 4.556 125.140 120.570 0.022 0.000 2.354 110 I HA 0.433 4.604 4.170 0.000 0.000 0.286 110 I C -0.172 175.991 176.117 0.077 0.000 1.007 110 I CA -0.159 61.139 61.300 -0.004 0.000 1.167 110 I CB 0.814 38.685 38.000 -0.215 0.000 1.320 110 I HN 0.781 nan 8.210 nan 0.000 0.458 111 N N 2.748 121.528 118.700 0.132 0.000 3.449 111 N HA 0.308 5.048 4.740 0.000 0.000 0.312 111 N C -0.810 174.769 175.510 0.116 0.000 1.582 111 N CA -0.733 52.388 53.050 0.119 0.000 0.850 111 N CB 0.623 39.180 38.487 0.117 0.000 1.822 111 N HN 0.177 nan 8.380 nan 0.000 0.577 112 D N -1.360 119.100 120.400 0.099 0.000 2.623 112 D HA 0.202 4.843 4.640 0.000 0.000 0.252 112 D C -1.261 175.097 176.300 0.097 0.000 1.294 112 D CA -0.176 53.871 54.000 0.078 0.000 0.824 112 D CB -0.071 40.750 40.800 0.036 0.000 1.070 112 D HN 0.445 nan 8.370 nan 0.000 0.487 113 D N 0.411 120.897 120.400 0.144 0.000 2.277 113 D HA 0.202 4.843 4.640 0.000 0.000 0.249 113 D C 0.409 176.795 176.300 0.144 0.000 1.134 113 D CA -0.046 54.008 54.000 0.091 0.000 0.863 113 D CB 0.750 41.558 40.800 0.013 0.000 1.143 113 D HN 0.122 nan 8.370 nan 0.000 0.458 114 R N 2.535 123.086 120.500 0.086 0.000 2.600 114 R HA 0.108 4.448 4.340 0.000 0.000 0.392 114 R C 1.419 177.742 176.300 0.039 0.000 1.032 114 R CA -0.106 56.047 56.100 0.088 0.000 1.139 114 R CB 0.682 31.021 30.300 0.065 0.000 1.400 114 R HN 0.435 nan 8.270 nan 0.000 0.566 115 Q N -0.190 119.618 119.800 0.014 0.000 2.224 115 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 115 Q C 1.724 177.714 176.000 -0.016 0.000 0.970 115 Q CA 1.512 57.314 55.803 -0.002 0.000 0.865 115 Q CB 0.162 28.894 28.738 -0.010 0.000 0.922 115 Q HN 0.410 nan 8.270 nan 0.000 0.445 116 G N -0.112 108.670 108.800 -0.031 0.000 2.880 116 G HA2 0.122 4.083 3.960 0.000 0.000 0.209 116 G HA3 0.122 4.083 3.960 0.000 0.000 0.209 116 G C 0.390 175.233 174.900 -0.095 0.000 1.157 116 G CA -0.288 44.782 45.100 -0.049 0.000 0.779 116 G HN 0.074 nan 8.290 nan 0.000 0.539 117 L N 2.567 123.729 121.223 -0.103 0.000 2.410 117 L HA 0.240 4.581 4.340 0.000 0.000 0.273 117 L C -1.407 175.404 176.870 -0.099 0.000 1.152 117 L CA -1.572 53.152 54.840 -0.193 0.000 0.855 117 L CB 0.631 42.620 42.059 -0.116 0.000 1.129 117 L HN 0.052 nan 8.230 nan 0.000 0.463 118 P HA 0.092 nan 4.420 nan 0.000 0.272 118 P C -0.912 176.395 177.300 0.012 0.000 1.240 118 P CA -0.541 62.556 63.100 -0.005 0.000 0.791 118 P CB 0.653 32.382 31.700 0.048 0.000 0.978 119 D N -0.422 119.989 120.400 0.018 0.000 2.368 119 D HA 0.231 4.871 4.640 0.000 0.000 0.240 119 D C 0.386 176.690 176.300 0.006 0.000 1.169 119 D CA 0.192 54.203 54.000 0.018 0.000 0.906 119 D CB 0.505 41.309 40.800 0.008 0.000 1.187 119 D HN 0.426 nan 8.370 nan 0.000 0.435 120 A N 1.443 124.258 122.820 -0.008 0.000 2.462 120 A HA 0.140 4.460 4.320 0.000 0.000 0.243 120 A C 1.468 178.987 177.584 -0.109 0.000 1.076 120 A CA -0.282 51.704 52.037 -0.085 0.000 0.773 120 A CB 0.074 18.993 19.000 -0.136 0.000 1.010 120 A HN 0.611 nan 8.150 nan 0.000 0.493 121 I N 0.042 120.526 120.570 -0.142 0.000 2.286 121 I HA -0.101 4.069 4.170 0.000 0.000 0.245 121 I C 1.450 177.374 176.117 -0.322 0.000 1.104 121 I CA 1.190 62.408 61.300 -0.137 0.000 1.397 121 I CB 0.111 38.066 38.000 -0.074 0.000 1.072 121 I HN 0.714 nan 8.210 nan 0.000 0.417 122 Q N 1.399 120.908 119.800 -0.484 0.000 2.695 122 Q HA 0.459 4.799 4.340 0.000 0.000 0.246 122 Q C -1.050 174.672 176.000 -0.465 0.000 0.961 122 Q CA -0.525 54.863 55.803 -0.692 0.000 0.708 122 Q CB 1.523 29.579 28.738 -1.136 0.000 1.282 122 Q HN 0.284 nan 8.270 nan 0.000 0.482 123 A N 3.461 126.089 122.820 -0.320 0.000 2.462 123 A HA 0.435 4.755 4.320 0.000 0.000 0.243 123 A C -0.359 177.098 177.584 -0.210 0.000 1.076 123 A CA 0.176 52.034 52.037 -0.298 0.000 0.773 123 A CB 0.310 19.274 19.000 -0.060 0.000 1.010 123 A HN 0.804 nan 8.150 nan 0.000 0.493 124 E N -0.070 119.950 120.200 -0.300 0.000 2.407 124 E HA 0.409 4.760 4.350 0.000 0.000 0.279 124 E C 0.287 176.860 176.600 -0.044 0.000 1.012 124 E CA -0.283 56.096 56.400 -0.034 0.000 0.800 124 E CB 0.335 30.110 29.700 0.126 0.000 1.276 124 E HN 0.944 nan 8.360 nan 0.000 0.452 125 V N -0.937 119.028 119.914 0.085 0.000 2.236 125 V HA -0.332 3.788 4.120 0.000 0.000 0.255 125 V C 1.697 177.673 176.094 -0.196 0.000 1.068 125 V CA 2.067 64.331 62.300 -0.059 0.000 1.044 125 V CB -1.138 30.541 31.823 -0.240 0.000 0.653 125 V HN 0.689 nan 8.190 nan 0.000 0.448 126 F N 0.117 120.121 119.950 0.089 0.000 2.325 126 F HA 0.133 4.662 4.527 0.003 0.000 0.299 126 F C 2.277 178.062 175.800 -0.025 0.000 1.090 126 F CA 1.589 59.622 58.000 0.055 0.000 1.392 126 F CB -0.294 38.868 39.000 0.270 0.000 1.053 126 F HN 0.142 nan 8.300 nan 0.000 0.521 127 L N -0.641 120.614 121.223 0.052 0.000 2.056 127 L HA -0.224 4.116 4.340 0.000 0.000 0.207 127 L C 2.685 179.415 176.870 -0.234 0.000 1.078 127 L CA 1.554 56.306 54.840 -0.148 0.000 0.749 127 L CB -0.502 41.333 42.059 -0.374 0.000 0.901 127 L HN 0.123 nan 8.230 nan 0.000 0.433 128 H N -0.394 118.618 119.070 -0.096 0.000 2.387 128 H HA -0.178 4.379 4.556 0.001 0.000 0.299 128 H C 2.128 177.322 175.328 -0.224 0.000 1.090 128 H CA 1.846 57.842 56.048 -0.087 0.000 1.332 128 H CB -0.317 29.411 29.762 -0.056 0.000 1.386 128 H HN 0.340 nan 8.280 nan 0.000 0.516 129 L N 0.635 121.737 121.223 -0.202 0.000 2.017 129 L HA -0.134 4.206 4.340 0.000 0.000 0.208 129 L C 2.251 178.804 176.870 -0.529 0.000 1.073 129 L CA 1.874 56.454 54.840 -0.432 0.000 0.745 129 L CB -0.897 40.778 42.059 -0.641 0.000 0.894 129 L HN 0.100 nan 8.230 nan 0.000 0.432 130 T N -0.455 113.871 114.554 -0.379 0.000 2.746 130 T HA -0.126 4.224 4.350 0.000 0.000 0.267 130 T C 1.728 176.272 174.700 -0.260 0.000 1.039 130 T CA 1.378 63.301 62.100 -0.295 0.000 1.142 130 T CB -0.199 68.653 68.868 -0.028 0.000 0.866 130 T HN 0.388 nan 8.240 nan 0.000 0.444 131 E N 1.491 121.516 120.200 -0.291 0.000 2.051 131 E HA -0.121 4.229 4.350 0.000 0.000 0.192 131 E C 2.693 179.187 176.600 -0.176 0.000 0.991 131 E CA 1.585 57.782 56.400 -0.340 0.000 0.799 131 E CB -0.457 28.754 29.700 -0.816 0.000 0.748 131 E HN 0.635 nan 8.360 nan 0.000 0.449 132 S N 0.505 116.124 115.700 -0.135 0.000 2.383 132 S HA -0.051 4.419 4.470 0.000 0.000 0.227 132 S C 2.064 176.746 174.600 0.137 0.000 1.026 132 S CA 0.705 58.919 58.200 0.025 0.000 0.981 132 S CB -0.297 62.817 63.200 -0.144 0.000 0.818 132 S HN 0.179 nan 8.310 nan 0.000 0.472 133 L N 1.044 122.213 121.223 -0.090 0.000 2.554 133 L HA 0.404 4.744 4.340 0.000 0.000 0.225 133 L C 1.371 178.202 176.870 -0.065 0.000 1.104 133 L CA 0.027 54.822 54.840 -0.075 0.000 0.866 133 L CB -0.569 41.326 42.059 -0.273 0.000 1.047 133 L HN 0.332 nan 8.230 nan 0.000 0.468 134 A N 0.342 123.109 122.820 -0.087 0.000 2.540 134 A HA 0.007 4.327 4.320 0.000 0.000 0.239 134 A C 1.007 178.555 177.584 -0.061 0.000 1.061 134 A CA 0.132 52.118 52.037 -0.084 0.000 0.758 134 A CB 0.279 19.210 19.000 -0.114 0.000 0.991 134 A HN 0.378 nan 8.150 nan 0.000 0.502 135 Q N 0.458 120.225 119.800 -0.055 0.000 2.424 135 Q HA 0.093 4.434 4.340 0.000 0.000 0.204 135 Q C 0.257 176.252 176.000 -0.009 0.000 0.933 135 Q CA 0.876 56.661 55.803 -0.031 0.000 0.929 135 Q CB 0.101 28.828 28.738 -0.018 0.000 1.037 135 Q HN 0.958 nan 8.270 nan 0.000 0.511 136 S N -1.776 113.916 115.700 -0.013 0.000 2.611 136 S HA 0.548 5.018 4.470 0.000 0.000 0.268 136 S C -1.046 173.518 174.600 -0.060 0.000 1.156 136 S CA -0.953 57.248 58.200 0.001 0.000 0.817 136 S CB 1.762 64.998 63.200 0.059 0.000 1.122 136 S HN -0.109 nan 8.310 nan 0.000 0.466 137 V N 1.398 121.250 119.914 -0.102 0.000 2.588 137 V HA 0.558 4.679 4.120 0.000 0.000 0.304 137 V C -0.336 175.569 176.094 -0.314 0.000 1.042 137 V CA -0.568 61.572 62.300 -0.268 0.000 0.877 137 V CB 1.948 33.514 31.823 -0.427 0.000 0.996 137 V HN 1.015 nan 8.190 nan 0.000 0.425 138 T N 4.529 118.965 114.554 -0.197 0.000 2.782 138 T HA 0.284 4.634 4.350 0.000 0.000 0.298 138 T C -0.086 174.516 174.700 -0.162 0.000 0.944 138 T CA -0.173 61.873 62.100 -0.090 0.000 1.001 138 T CB -0.579 68.365 68.868 0.127 0.000 0.932 138 T HN 0.537 nan 8.240 nan 0.000 0.524 139 H N 4.087 123.175 119.070 0.029 0.000 2.782 139 H HA 0.348 4.905 4.556 0.001 0.000 0.285 139 H C 0.071 175.436 175.328 0.061 0.000 1.093 139 H CA -0.240 55.848 56.048 0.067 0.000 1.410 139 H CB 0.452 30.248 29.762 0.057 0.000 1.439 139 H HN 0.498 nan 8.280 nan 0.000 0.469 140 I N 2.196 122.874 120.570 0.180 0.000 2.474 140 I HA 0.565 4.735 4.170 0.000 0.000 0.294 140 I C -0.091 176.135 176.117 0.180 0.000 1.005 140 I CA -0.757 60.633 61.300 0.151 0.000 1.113 140 I CB 2.046 40.108 38.000 0.103 0.000 1.289 140 I HN 0.514 nan 8.210 nan 0.000 0.436 141 A N 5.017 127.944 122.820 0.178 0.000 2.520 141 A HA 0.816 5.136 4.320 0.000 0.000 0.298 141 A C -1.367 176.295 177.584 0.131 0.000 1.051 141 A CA -0.550 51.575 52.037 0.148 0.000 0.690 141 A CB 1.809 20.881 19.000 0.120 0.000 1.281 141 A HN 0.391 nan 8.150 nan 0.000 0.402 142 V N 3.201 123.171 119.914 0.094 0.000 2.357 142 V HA 0.274 4.395 4.120 0.000 0.000 0.284 142 V C 0.263 176.365 176.094 0.012 0.000 1.018 142 V CA -0.641 61.673 62.300 0.023 0.000 0.841 142 V CB 1.276 33.100 31.823 0.001 0.000 0.991 142 V HN 0.946 nan 8.190 nan 0.000 0.437 143 K N 2.834 123.232 120.400 -0.004 0.000 2.286 143 K HA 0.225 4.546 4.320 0.000 0.000 0.256 143 K C 0.614 177.210 176.600 -0.007 0.000 0.999 143 K CA -0.414 55.873 56.287 -0.000 0.000 0.908 143 K CB 0.636 33.134 32.500 -0.004 0.000 0.981 143 K HN 0.570 nan 8.250 nan 0.000 0.500 144 R N 0.614 121.112 120.500 -0.002 0.000 2.494 144 R HA -0.152 4.188 4.340 0.000 0.000 0.291 144 R C 0.688 176.981 176.300 -0.011 0.000 0.953 144 R CA 1.359 57.455 56.100 -0.006 0.000 1.098 144 R CB -0.440 29.859 30.300 -0.002 0.000 0.911 144 R HN 0.901 nan 8.270 nan 0.000 0.407 145 G N 2.756 111.548 108.800 -0.014 0.000 2.186 145 G HA2 -0.281 3.680 3.960 0.000 0.000 0.266 145 G HA3 -0.281 3.680 3.960 0.000 0.000 0.266 145 G C -0.173 174.719 174.900 -0.014 0.000 0.982 145 G CA 0.456 45.550 45.100 -0.011 0.000 0.670 145 G HN 0.594 nan 8.290 nan 0.000 0.533 146 Q N -0.251 119.534 119.800 -0.025 0.000 2.259 146 Q HA 0.612 4.952 4.340 0.000 0.000 0.246 146 Q C 0.505 176.475 176.000 -0.050 0.000 0.920 146 Q CA -0.109 55.669 55.803 -0.042 0.000 0.895 146 Q CB 0.980 29.680 28.738 -0.062 0.000 1.220 146 Q HN 0.561 nan 8.270 nan 0.000 0.439 147 R N 2.004 122.469 120.500 -0.058 0.000 2.472 147 R HA 0.375 4.716 4.340 0.000 0.000 0.294 147 R C -2.319 173.925 176.300 -0.093 0.000 1.243 147 R CA -1.645 54.422 56.100 -0.055 0.000 1.023 147 R CB 0.871 31.164 30.300 -0.012 0.000 1.157 147 R HN 0.356 nan 8.270 nan 0.000 0.530 148 P HA -0.040 nan 4.420 nan 0.000 0.266 148 P C 0.422 177.682 177.300 -0.067 0.000 1.193 148 P CA 0.140 63.103 63.100 -0.229 0.000 0.770 148 P CB 0.900 32.225 31.700 -0.625 0.000 0.836 149 A N 3.566 126.369 122.820 -0.028 0.000 1.898 149 A HA -0.098 4.223 4.320 0.000 0.000 0.216 149 A C 0.750 178.361 177.584 0.045 0.000 1.181 149 A CA 1.383 53.426 52.037 0.010 0.000 0.620 149 A CB -0.342 18.664 19.000 0.010 0.000 0.819 149 A HN 0.555 nan 8.150 nan 0.000 0.442 150 K N -0.043 120.414 120.400 0.095 0.000 2.208 150 K HA 0.447 4.767 4.320 0.000 0.000 0.247 150 K C -2.876 173.847 176.600 0.205 0.000 0.953 150 K CA -2.392 53.965 56.287 0.117 0.000 0.837 150 K CB 1.465 34.026 32.500 0.102 0.000 1.131 150 K HN 0.081 nan 8.250 nan 0.000 0.431 151 P HA 0.040 nan 4.420 nan 0.000 0.272 151 P C -0.949 176.378 177.300 0.045 0.000 1.230 151 P CA -0.563 62.620 63.100 0.138 0.000 0.788 151 P CB 0.566 32.299 31.700 0.056 0.000 0.949 152 L N 2.957 124.128 121.223 -0.088 0.000 2.265 152 L HA 0.405 4.745 4.340 0.000 0.000 0.288 152 L C -0.763 176.021 176.870 -0.142 0.000 1.058 152 L CA -0.582 54.051 54.840 -0.346 0.000 0.809 152 L CB 0.249 41.877 42.059 -0.718 0.000 1.179 152 L HN 0.196 nan 8.230 nan 0.000 0.429 153 L N 6.529 127.679 121.223 -0.122 0.000 2.305 153 L HA 0.535 4.875 4.340 0.000 0.000 0.284 153 L C -1.344 175.484 176.870 -0.070 0.000 1.013 153 L CA -0.223 54.576 54.840 -0.069 0.000 0.819 153 L CB 1.278 43.304 42.059 -0.055 0.000 1.227 153 L HN 0.560 nan 8.230 nan 0.000 0.417 154 L N 6.281 127.463 121.223 -0.068 0.000 2.272 154 L HA 0.474 4.814 4.340 0.000 0.000 0.284 154 L C -0.035 176.678 176.870 -0.260 0.000 1.045 154 L CA -0.110 54.641 54.840 -0.149 0.000 0.842 154 L CB 0.994 42.849 42.059 -0.339 0.000 1.224 154 L HN 0.683 nan 8.230 nan 0.000 0.430 155 M N 3.586 123.079 119.600 -0.177 0.000 2.113 155 M HA 0.357 4.838 4.480 0.000 0.000 0.352 155 M C -1.185 174.923 176.300 -0.321 0.000 1.170 155 M CA -0.339 54.858 55.300 -0.173 0.000 1.053 155 M CB 0.613 33.194 32.600 -0.032 0.000 1.601 155 M HN 0.490 nan 8.290 nan 0.000 0.459 156 H N 5.515 124.367 119.070 -0.363 0.000 2.511 156 H HA 0.491 5.043 4.556 -0.005 0.000 0.328 156 H C -1.076 174.116 175.328 -0.225 0.000 1.044 156 H CA -0.351 55.442 56.048 -0.425 0.000 1.212 156 H CB 0.858 30.012 29.762 -1.014 0.000 1.428 156 H HN 0.618 nan 8.280 nan 0.000 0.483 157 I N 3.409 123.998 120.570 0.031 0.000 2.382 157 I HA 0.277 4.447 4.170 0.000 0.000 0.285 157 I C -0.354 175.812 176.117 0.083 0.000 1.007 157 I CA -0.301 61.023 61.300 0.040 0.000 1.142 157 I CB 1.360 39.374 38.000 0.024 0.000 1.289 157 I HN 0.538 nan 8.210 nan 0.000 0.453 158 T N 5.660 120.213 114.554 -0.001 0.000 2.829 158 T HA 0.503 4.853 4.350 0.000 0.000 0.280 158 T C -0.628 173.924 174.700 -0.247 0.000 0.999 158 T CA -0.778 61.233 62.100 -0.148 0.000 0.983 158 T CB 1.754 70.409 68.868 -0.354 0.000 0.968 158 T HN 0.635 nan 8.240 nan 0.000 0.446 159 Q N 1.136 120.879 119.800 -0.094 0.000 2.413 159 Q HA 0.788 5.128 4.340 0.000 0.000 0.276 159 Q C -0.328 175.759 176.000 0.144 0.000 1.099 159 Q CA -1.331 54.505 55.803 0.055 0.000 0.814 159 Q CB 1.917 30.699 28.738 0.073 0.000 1.379 159 Q HN 0.703 nan 8.270 nan 0.000 0.436 160 G N 0.483 109.423 108.800 0.234 0.000 2.511 160 G HA2 0.561 4.521 3.960 0.000 0.000 0.316 160 G HA3 0.561 4.521 3.960 0.000 0.000 0.316 160 G C -0.223 174.766 174.900 0.148 0.000 1.210 160 G CA -0.380 44.858 45.100 0.230 0.000 0.969 160 G HN 0.747 nan 8.290 nan 0.000 0.492 161 V N -2.215 117.775 119.914 0.128 0.000 3.093 161 V HA 0.879 4.999 4.120 0.000 0.000 0.320 161 V C 0.664 176.805 176.094 0.077 0.000 1.093 161 V CA -0.741 61.614 62.300 0.093 0.000 1.016 161 V CB 1.129 33.002 31.823 0.084 0.000 1.096 161 V HN 1.245 nan 8.190 nan 0.000 0.452 162 A N 0.831 123.687 122.820 0.060 0.000 2.407 162 A HA 0.795 5.115 4.320 0.000 0.000 0.248 162 A C 0.926 178.534 177.584 0.040 0.000 1.082 162 A CA 0.608 52.675 52.037 0.049 0.000 0.785 162 A CB -0.361 18.664 19.000 0.041 0.000 1.020 162 A HN 2.880 nan 8.150 nan 0.000 0.489 163 G N 0.828 109.648 108.800 0.033 0.000 2.447 163 G HA2 -0.063 3.897 3.960 0.000 0.000 0.220 163 G HA3 -0.063 3.897 3.960 0.000 0.000 0.220 163 G C 0.116 175.026 174.900 0.017 0.000 1.261 163 G CA 0.150 45.264 45.100 0.022 0.000 1.000 163 G HN 0.630 nan 8.290 nan 0.000 0.515 164 E N 0.919 121.120 120.200 0.002 0.000 2.400 164 E HA 0.109 4.459 4.350 0.000 0.000 0.195 164 E C 1.046 177.625 176.600 -0.036 0.000 1.012 164 E CA 0.497 56.887 56.400 -0.016 0.000 0.875 164 E CB 0.116 29.800 29.700 -0.027 0.000 0.859 164 E HN 0.670 nan 8.360 nan 0.000 0.498 165 E N 0.913 121.099 120.200 -0.023 0.000 2.415 165 E HA 0.121 4.471 4.350 0.000 0.000 0.262 165 E C -0.464 176.128 176.600 -0.014 0.000 1.038 165 E CA 0.058 56.437 56.400 -0.035 0.000 0.921 165 E CB 1.324 31.029 29.700 0.009 0.000 0.950 165 E HN -0.208 nan 8.360 nan 0.000 0.438 166 V N 3.453 123.333 119.914 -0.057 0.000 2.334 166 V HA 0.093 4.213 4.120 0.000 0.000 0.281 166 V C -0.032 176.206 176.094 0.240 0.000 1.016 166 V CA -0.857 61.471 62.300 0.045 0.000 0.832 166 V CB 1.064 32.814 31.823 -0.121 0.000 0.999 166 V HN 0.563 nan 8.190 nan 0.000 0.439 167 N N 3.085 121.944 118.700 0.264 0.000 2.513 167 N HA 0.206 4.947 4.740 0.000 0.000 0.268 167 N C -0.274 175.464 175.510 0.379 0.000 1.180 167 N CA 0.553 53.775 53.050 0.287 0.000 0.948 167 N CB 1.236 39.852 38.487 0.216 0.000 1.083 167 N HN 0.720 nan 8.380 nan 0.000 0.455 168 T N 1.385 116.146 114.554 0.345 0.000 2.876 168 T HA 0.805 5.155 4.350 0.000 0.000 0.289 168 T C -1.598 173.128 174.700 0.044 0.000 1.014 168 T CA -0.605 61.659 62.100 0.272 0.000 0.986 168 T CB 0.573 69.726 68.868 0.475 0.000 1.021 168 T HN 0.569 nan 8.240 nan 0.000 0.458 169 A N 4.002 126.694 122.820 -0.213 0.000 2.427 169 A HA 0.700 5.021 4.320 0.000 0.000 0.298 169 A C -1.307 175.855 177.584 -0.704 0.000 1.036 169 A CA -0.669 51.163 52.037 -0.341 0.000 0.701 169 A CB 1.132 19.977 19.000 -0.258 0.000 1.250 169 A HN 0.909 nan 8.150 nan 0.000 0.412 170 H N 1.383 120.154 119.070 -0.499 0.000 2.547 170 H HA 0.443 5.001 4.556 0.002 0.000 0.342 170 H C -1.579 173.446 175.328 -0.505 0.000 1.048 170 H CA 0.098 55.895 56.048 -0.419 0.000 1.204 170 H CB 1.500 31.083 29.762 -0.297 0.000 1.493 170 H HN 0.659 nan 8.280 nan 0.000 0.511 171 Y N 1.521 121.780 120.300 -0.069 0.000 2.377 171 Y HA 0.421 4.976 4.550 0.009 0.000 0.339 171 Y C 0.445 176.113 175.900 -0.386 0.000 1.011 171 Y CA -0.872 57.104 58.100 -0.206 0.000 1.093 171 Y CB 1.741 40.146 38.460 -0.090 0.000 1.201 171 Y HN 0.424 nan 8.280 nan 0.000 0.455 172 R N 2.692 122.904 120.500 -0.480 0.000 2.514 172 R HA 0.476 4.817 4.340 0.000 0.000 0.296 172 R C -1.955 173.937 176.300 -0.681 0.000 1.012 172 R CA -0.477 55.344 56.100 -0.465 0.000 0.897 172 R CB 0.525 30.675 30.300 -0.250 0.000 1.184 172 R HN 0.725 nan 8.270 nan 0.000 0.440 173 H N 2.129 121.049 119.070 -0.251 0.000 2.895 173 H HA 0.377 4.934 4.556 0.001 0.000 0.373 173 H C -1.090 174.068 175.328 -0.282 0.000 1.174 173 H CA -0.733 55.054 56.048 -0.435 0.000 1.144 173 H CB 2.096 31.329 29.762 -0.881 0.000 1.793 173 H HN 0.693 nan 8.280 nan 0.000 0.551 174 H N 1.076 120.050 119.070 -0.160 0.000 2.782 174 H HA 0.401 4.958 4.556 0.002 0.000 0.347 174 H C -1.702 173.700 175.328 0.123 0.000 1.038 174 H CA -0.744 55.326 56.048 0.037 0.000 1.255 174 H CB 1.232 31.029 29.762 0.057 0.000 1.623 174 H HN 0.374 nan 8.280 nan 0.000 0.525 175 L N 4.548 125.670 121.223 -0.168 0.000 2.322 175 L HA 0.425 4.766 4.340 0.000 0.000 0.281 175 L C -1.089 175.672 176.870 -0.182 0.000 1.014 175 L CA -0.296 54.546 54.840 0.003 0.000 0.815 175 L CB 1.595 43.835 42.059 0.302 0.000 1.247 175 L HN 0.774 nan 8.230 nan 0.000 0.421 176 D N 5.621 126.030 120.400 0.014 0.000 2.425 176 D HA 0.284 4.924 4.640 0.000 0.000 0.240 176 D C -1.273 175.073 176.300 0.076 0.000 1.080 176 D CA -0.335 53.701 54.000 0.061 0.000 0.836 176 D CB 1.275 42.169 40.800 0.156 0.000 1.125 176 D HN 0.562 nan 8.370 nan 0.000 0.525 177 L N 3.408 124.665 121.223 0.056 0.000 2.262 177 L HA 0.464 4.805 4.340 0.000 0.000 0.288 177 L C 0.953 177.841 176.870 0.030 0.000 1.035 177 L CA -0.675 54.194 54.840 0.048 0.000 0.820 177 L CB 1.376 43.460 42.059 0.042 0.000 1.204 177 L HN 0.386 nan 8.230 nan 0.000 0.424 178 A N 3.194 126.031 122.820 0.027 0.000 2.346 178 A HA 0.119 4.440 4.320 0.000 0.000 0.255 178 A C 0.350 177.930 177.584 -0.006 0.000 1.113 178 A CA -0.320 51.727 52.037 0.017 0.000 0.798 178 A CB 0.214 19.224 19.000 0.018 0.000 1.073 178 A HN 0.765 nan 8.150 nan 0.000 0.502 179 E N -0.528 119.667 120.200 -0.009 0.000 2.558 179 E HA 0.270 4.620 4.350 0.000 0.000 0.255 179 E C 1.231 177.809 176.600 -0.037 0.000 0.968 179 E CA 1.105 57.490 56.400 -0.025 0.000 0.939 179 E CB -0.208 29.483 29.700 -0.015 0.000 0.921 179 E HN 1.459 nan 8.360 nan 0.000 0.477 180 G N 2.556 111.314 108.800 -0.070 0.000 2.184 180 G HA2 -0.343 3.617 3.960 0.000 0.000 0.264 180 G HA3 -0.343 3.617 3.960 0.000 0.000 0.264 180 G C 0.285 175.152 174.900 -0.056 0.000 0.975 180 G CA 0.166 45.223 45.100 -0.072 0.000 0.642 180 G HN 0.867 nan 8.290 nan 0.000 0.536 181 A N -0.108 122.683 122.820 -0.048 0.000 2.371 181 A HA 0.660 4.980 4.320 0.000 0.000 0.257 181 A C 0.286 177.869 177.584 -0.001 0.000 1.089 181 A CA 0.297 52.322 52.037 -0.020 0.000 0.794 181 A CB 0.404 19.399 19.000 -0.009 0.000 1.029 181 A HN 0.523 nan 8.150 nan 0.000 0.488 182 E N 0.035 120.256 120.200 0.034 0.000 2.256 182 E HA 0.615 4.965 4.350 0.000 0.000 0.268 182 E C -0.854 175.791 176.600 0.075 0.000 0.877 182 E CA -0.587 55.868 56.400 0.091 0.000 0.757 182 E CB 2.189 31.965 29.700 0.127 0.000 1.183 182 E HN 0.911 nan 8.360 nan 0.000 0.418 183 A N 1.955 124.844 122.820 0.115 0.000 2.604 183 A HA 0.654 4.974 4.320 0.000 0.000 0.295 183 A C -0.986 176.695 177.584 0.162 0.000 1.067 183 A CA -0.708 51.419 52.037 0.149 0.000 0.683 183 A CB 2.053 21.181 19.000 0.213 0.000 1.281 183 A HN 0.390 nan 8.150 nan 0.000 0.407 184 T N 1.108 115.767 114.554 0.174 0.000 2.779 184 T HA 0.573 4.924 4.350 0.000 0.000 0.280 184 T C -0.996 173.785 174.700 0.135 0.000 0.987 184 T CA -0.363 61.816 62.100 0.132 0.000 0.966 184 T CB 1.219 70.140 68.868 0.087 0.000 0.933 184 T HN 1.221 nan 8.240 nan 0.000 0.442 185 V N 5.486 125.465 119.914 0.108 0.000 2.604 185 V HA 0.688 4.808 4.120 0.000 0.000 0.305 185 V C -1.237 174.879 176.094 0.036 0.000 1.043 185 V CA -0.930 61.428 62.300 0.096 0.000 0.888 185 V CB 1.357 33.293 31.823 0.187 0.000 0.995 185 V HN 0.841 nan 8.190 nan 0.000 0.429 186 I N 5.637 126.220 120.570 0.022 0.000 2.406 186 I HA 0.507 4.677 4.170 0.000 0.000 0.290 186 I C -0.253 175.891 176.117 0.044 0.000 0.999 186 I CA -0.463 60.821 61.300 -0.027 0.000 1.124 186 I CB 1.954 39.919 38.000 -0.058 0.000 1.289 186 I HN 0.576 nan 8.210 nan 0.000 0.441 187 E N 4.837 125.077 120.200 0.067 0.000 2.156 187 E HA 0.306 4.656 4.350 0.000 0.000 0.279 187 E C -0.931 175.727 176.600 0.098 0.000 0.965 187 E CA -0.508 55.994 56.400 0.170 0.000 0.789 187 E CB 1.683 31.615 29.700 0.386 0.000 1.098 187 E HN 0.511 nan 8.360 nan 0.000 0.397 188 H N 3.955 122.948 119.070 -0.127 0.000 2.658 188 H HA 0.308 4.892 4.556 0.046 0.000 0.337 188 H C -1.430 173.782 175.328 -0.194 0.000 1.009 188 H CA -0.847 55.108 56.048 -0.155 0.000 1.231 188 H CB 0.599 30.279 29.762 -0.137 0.000 1.508 188 H HN 0.397 nan 8.280 nan 0.000 0.517 189 F N 5.299 125.165 119.950 -0.139 0.000 2.449 189 F HA 0.339 4.861 4.527 -0.009 0.000 0.342 189 F C -0.165 175.548 175.800 -0.145 0.000 1.127 189 F CA -0.686 57.238 58.000 -0.127 0.000 0.975 189 F CB 1.699 40.683 39.000 -0.028 0.000 1.146 189 F HN 0.285 nan 8.300 nan 0.000 0.444 190 V N -0.884 119.036 119.914 0.010 0.000 3.102 190 V HA 0.776 4.896 4.120 0.000 0.000 0.312 190 V C -0.506 175.678 176.094 0.151 0.000 1.135 190 V CA -0.848 61.491 62.300 0.065 0.000 1.022 190 V CB 1.788 33.576 31.823 -0.059 0.000 1.056 190 V HN 0.562 nan 8.190 nan 0.000 0.436 191 S N 1.270 117.095 115.700 0.208 0.000 2.509 191 S HA 0.547 5.017 4.470 0.000 0.000 0.297 191 S C 0.510 175.200 174.600 0.149 0.000 1.118 191 S CA -0.392 57.960 58.200 0.252 0.000 1.074 191 S CB 1.503 64.933 63.200 0.383 0.000 1.038 191 S HN 0.962 nan 8.310 nan 0.000 0.498 192 L N 3.164 124.457 121.223 0.117 0.000 2.093 192 L HA 0.064 4.404 4.340 0.000 0.000 0.208 192 L C 0.485 177.415 176.870 0.099 0.000 1.085 192 L CA 1.888 56.782 54.840 0.089 0.000 0.755 192 L CB -0.552 41.550 42.059 0.071 0.000 0.904 192 L HN 0.878 nan 8.230 nan 0.000 0.435 193 N N -3.949 114.826 118.700 0.125 0.000 3.574 193 N HA 0.162 4.902 4.740 0.000 0.000 0.340 193 N C -0.053 175.533 175.510 0.126 0.000 1.650 193 N CA -0.129 52.987 53.050 0.110 0.000 0.762 193 N CB -0.324 38.217 38.487 0.090 0.000 2.206 193 N HN -0.183 nan 8.380 nan 0.000 0.621 194 D N -0.483 119.978 120.400 0.101 0.000 2.347 194 D HA 0.105 4.745 4.640 0.000 0.000 0.215 194 D C 0.218 176.579 176.300 0.101 0.000 0.976 194 D CA 0.437 54.492 54.000 0.092 0.000 0.884 194 D CB -0.240 40.601 40.800 0.068 0.000 0.915 194 D HN 0.646 nan 8.370 nan 0.000 0.526 195 A N 2.011 124.904 122.820 0.122 0.000 2.477 195 A HA 0.171 4.491 4.320 0.000 0.000 0.246 195 A C 0.751 178.432 177.584 0.162 0.000 1.078 195 A CA -0.388 51.727 52.037 0.129 0.000 0.770 195 A CB 0.098 19.178 19.000 0.133 0.000 1.011 195 A HN 0.190 nan 8.150 nan 0.000 0.494 196 R N 1.888 122.461 120.500 0.122 0.000 2.594 196 R HA 0.504 4.845 4.340 0.000 0.000 0.272 196 R C -0.428 175.985 176.300 0.189 0.000 1.074 196 R CA 0.014 56.169 56.100 0.092 0.000 1.105 196 R CB 0.254 30.613 30.300 0.099 0.000 1.008 196 R HN 0.978 nan 8.270 nan 0.000 0.472 197 H N -0.448 118.770 119.070 0.246 0.000 2.990 197 H HA 0.497 5.051 4.556 -0.003 0.000 0.343 197 H C -1.850 173.726 175.328 0.414 0.000 1.270 197 H CA -1.302 54.917 56.048 0.285 0.000 1.118 197 H CB 1.097 30.997 29.762 0.230 0.000 1.861 197 H HN 0.564 nan 8.280 nan 0.000 0.544 198 F N 1.702 121.902 119.950 0.417 0.000 2.382 198 F HA 0.521 5.048 4.527 0.001 0.000 0.361 198 F C -0.995 174.937 175.800 0.219 0.000 1.109 198 F CA -0.569 57.637 58.000 0.343 0.000 1.031 198 F CB 1.407 40.630 39.000 0.373 0.000 1.234 198 F HN 0.706 nan 8.300 nan 0.000 0.445 199 T N 4.656 119.177 114.554 -0.056 0.000 2.799 199 T HA 0.675 5.025 4.350 0.000 0.000 0.286 199 T C 0.096 174.342 174.700 -0.757 0.000 0.973 199 T CA -0.496 61.424 62.100 -0.300 0.000 1.035 199 T CB 1.195 70.091 68.868 0.046 0.000 0.932 199 T HN 0.840 nan 8.240 nan 0.000 0.469 200 G N 0.950 109.235 108.800 -0.857 0.000 2.513 200 G HA2 0.717 4.677 3.960 0.000 0.000 0.317 200 G HA3 0.717 4.677 3.960 0.000 0.000 0.317 200 G C -1.274 173.519 174.900 -0.177 0.000 1.277 200 G CA -0.740 44.042 45.100 -0.530 0.000 0.955 200 G HN 0.958 nan 8.290 nan 0.000 0.484 201 A N 2.075 124.828 122.820 -0.112 0.000 2.539 201 A HA 0.938 5.258 4.320 0.000 0.000 0.296 201 A C -0.592 177.042 177.584 0.083 0.000 1.073 201 A CA -0.923 51.143 52.037 0.049 0.000 0.700 201 A CB 2.062 21.111 19.000 0.082 0.000 1.296 201 A HN 0.905 nan 8.150 nan 0.000 0.405 202 R N 1.278 121.838 120.500 0.099 0.000 2.605 202 R HA 0.475 4.815 4.340 0.000 0.000 0.291 202 R C -2.394 174.009 176.300 0.172 0.000 1.226 202 R CA -0.331 55.833 56.100 0.107 0.000 0.981 202 R CB 0.819 31.119 30.300 0.001 0.000 1.215 202 R HN 0.640 nan 8.270 nan 0.000 0.428 203 F N 4.444 124.468 119.950 0.123 0.000 2.375 203 F HA 0.440 4.965 4.527 -0.003 0.000 0.361 203 F C -0.561 175.287 175.800 0.081 0.000 1.117 203 F CA -0.715 57.376 58.000 0.152 0.000 1.037 203 F CB 1.581 40.720 39.000 0.232 0.000 1.192 203 F HN 0.486 nan 8.300 nan 0.000 0.452 204 T N 5.030 119.902 114.554 0.530 0.000 2.824 204 T HA 0.815 5.166 4.350 0.000 0.000 0.280 204 T C -0.432 174.402 174.700 0.224 0.000 0.995 204 T CA -0.638 61.667 62.100 0.341 0.000 1.009 204 T CB 1.544 70.622 68.868 0.350 0.000 0.955 204 T HN 0.438 nan 8.240 nan 0.000 0.452 205 I N 2.848 123.448 120.570 0.051 0.000 2.499 205 I HA 0.388 4.558 4.170 0.000 0.000 0.288 205 I C -0.513 175.581 176.117 -0.039 0.000 1.048 205 I CA -0.953 60.299 61.300 -0.080 0.000 1.062 205 I CB 2.155 40.094 38.000 -0.103 0.000 1.238 205 I HN 0.626 nan 8.210 nan 0.000 0.426 206 N N 5.620 124.284 118.700 -0.060 0.000 2.424 206 N HA 0.395 5.135 4.740 0.000 0.000 0.271 206 N C -1.334 174.194 175.510 0.029 0.000 0.985 206 N CA -0.262 52.816 53.050 0.046 0.000 0.921 206 N CB 2.150 40.723 38.487 0.143 0.000 1.149 206 N HN 0.267 nan 8.380 nan 0.000 0.492 207 V N 3.051 122.982 119.914 0.028 0.000 2.311 207 V HA 0.456 4.577 4.120 0.000 0.000 0.275 207 V C 0.817 176.919 176.094 0.014 0.000 1.022 207 V CA -0.901 61.411 62.300 0.019 0.000 0.830 207 V CB 0.520 32.353 31.823 0.018 0.000 1.012 207 V HN 0.745 nan 8.190 nan 0.000 0.452 208 A N 4.233 127.058 122.820 0.009 0.000 2.292 208 A HA 0.781 5.101 4.320 0.000 0.000 0.265 208 A C 0.932 178.504 177.584 -0.019 0.000 1.133 208 A CA 0.183 52.223 52.037 0.004 0.000 0.807 208 A CB 0.202 19.207 19.000 0.008 0.000 1.102 208 A HN 1.349 nan 8.150 nan 0.000 0.502 209 A N 0.350 123.162 122.820 -0.014 0.000 2.546 209 A HA 0.359 4.679 4.320 0.000 0.000 0.243 209 A C 0.829 178.377 177.584 -0.060 0.000 1.063 209 A CA 0.501 52.524 52.037 -0.024 0.000 0.757 209 A CB -0.585 18.409 19.000 -0.011 0.000 0.991 209 A HN 1.136 nan 8.150 nan 0.000 0.503 210 N N -1.432 117.218 118.700 -0.084 0.000 2.753 210 N HA -0.206 4.534 4.740 0.000 0.000 0.251 210 N C 0.174 175.463 175.510 -0.370 0.000 1.097 210 N CA 1.202 54.156 53.050 -0.160 0.000 0.786 210 N CB -1.499 36.937 38.487 -0.084 0.000 1.137 210 N HN 1.181 nan 8.380 nan 0.000 0.566 211 A N 0.310 122.940 122.820 -0.317 0.000 2.295 211 A HA 0.643 4.963 4.320 0.000 0.000 0.318 211 A C -0.212 177.132 177.584 -0.400 0.000 1.134 211 A CA -0.271 51.574 52.037 -0.320 0.000 0.827 211 A CB 0.776 19.711 19.000 -0.108 0.000 1.136 211 A HN 0.291 nan 8.150 nan 0.000 0.493 212 H N 1.142 120.250 119.070 0.063 0.000 2.727 212 H HA 0.474 5.030 4.556 -0.000 0.000 0.330 212 H C -1.373 174.011 175.328 0.094 0.000 0.986 212 H CA -0.509 55.592 56.048 0.088 0.000 1.251 212 H CB 1.430 31.240 29.762 0.079 0.000 1.493 212 H HN 0.546 nan 8.280 nan 0.000 0.515 213 L N 2.819 124.183 121.223 0.234 0.000 2.329 213 L HA 0.381 4.721 4.340 0.000 0.000 0.279 213 L C -0.662 176.338 176.870 0.216 0.000 1.014 213 L CA -0.390 54.558 54.840 0.179 0.000 0.814 213 L CB 1.596 43.725 42.059 0.118 0.000 1.257 213 L HN 0.427 nan 8.230 nan 0.000 0.424 214 Q N 4.899 124.804 119.800 0.175 0.000 2.339 214 Q HA 0.302 4.643 4.340 0.000 0.000 0.268 214 Q C -1.463 174.639 176.000 0.171 0.000 1.027 214 Q CA -0.287 55.622 55.803 0.177 0.000 0.759 214 Q CB 1.567 30.370 28.738 0.109 0.000 1.244 214 Q HN 0.717 nan 8.270 nan 0.000 0.464 215 H N 3.798 122.911 119.070 0.072 0.000 2.489 215 H HA 0.567 5.131 4.556 0.013 0.000 0.343 215 H C -1.217 174.160 175.328 0.081 0.000 1.086 215 H CA -0.610 55.441 56.048 0.005 0.000 1.198 215 H CB 0.969 30.666 29.762 -0.108 0.000 1.490 215 H HN 0.549 nan 8.280 nan 0.000 0.504 216 I N 4.803 125.041 120.570 -0.553 0.000 2.466 216 I HA 0.233 4.403 4.170 0.000 0.000 0.289 216 I C -0.521 175.321 176.117 -0.458 0.000 1.026 216 I CA -0.600 60.511 61.300 -0.314 0.000 1.078 216 I CB 2.126 40.099 38.000 -0.045 0.000 1.249 216 I HN 0.397 nan 8.210 nan 0.000 0.429 217 K N 7.461 127.715 120.400 -0.243 0.000 2.323 217 K HA 0.648 4.968 4.320 0.000 0.000 0.259 217 K C -1.613 175.006 176.600 0.031 0.000 0.947 217 K CA -0.532 55.720 56.287 -0.058 0.000 0.819 217 K CB 1.232 33.756 32.500 0.040 0.000 1.109 217 K HN 0.614 nan 8.250 nan 0.000 0.429 218 L N 4.136 125.334 121.223 -0.043 0.000 2.337 218 L HA 0.444 4.785 4.340 0.000 0.000 0.269 218 L C -0.325 176.376 176.870 -0.281 0.000 1.018 218 L CA -0.833 53.785 54.840 -0.371 0.000 0.876 218 L CB 1.619 43.179 42.059 -0.831 0.000 1.236 218 L HN 0.711 nan 8.230 nan 0.000 0.436 219 A N 3.966 126.762 122.820 -0.041 0.000 2.798 219 A HA 0.499 4.819 4.320 0.000 0.000 0.316 219 A C 0.029 177.815 177.584 0.336 0.000 1.506 219 A CA -0.142 51.898 52.037 0.005 0.000 1.162 219 A CB -0.553 18.233 19.000 -0.357 0.000 1.138 219 A HN 0.740 nan 8.150 nan 0.000 0.532 220 F N 1.257 121.294 119.950 0.146 0.000 2.928 220 F HA 0.160 4.582 4.527 -0.175 0.000 0.337 220 F C 0.669 176.543 175.800 0.123 0.000 1.259 220 F CA -0.532 57.547 58.000 0.131 0.000 1.267 220 F CB 0.396 39.508 39.000 0.186 0.000 0.986 220 F HN 0.593 nan 8.300 nan 0.000 0.507 221 E N 0.843 121.218 120.200 0.291 0.000 2.376 221 E HA 0.049 4.399 4.350 0.000 0.000 0.254 221 E C 0.086 176.792 176.600 0.176 0.000 1.213 221 E CA -0.690 55.869 56.400 0.265 0.000 0.945 221 E CB 0.537 30.434 29.700 0.328 0.000 1.057 221 E HN 0.295 nan 8.360 nan 0.000 0.479 222 N N 0.369 119.165 118.700 0.160 0.000 2.326 222 N HA -0.004 4.736 4.740 0.000 0.000 0.239 222 N C -2.226 173.309 175.510 0.042 0.000 1.301 222 N CA -1.040 52.066 53.050 0.094 0.000 0.909 222 N CB -0.201 38.347 38.487 0.102 0.000 1.156 222 N HN 0.044 nan 8.380 nan 0.000 0.462 223 P HA -0.026 nan 4.420 nan 0.000 0.225 223 P C 0.669 177.968 177.300 -0.002 0.000 1.148 223 P CA 1.147 64.254 63.100 0.012 0.000 0.779 223 P CB 0.157 31.866 31.700 0.015 0.000 0.780 224 L N -2.658 118.565 121.223 -0.000 0.000 2.616 224 L HA 0.160 4.500 4.340 0.000 0.000 0.229 224 L C 0.878 177.747 176.870 -0.001 0.000 1.110 224 L CA 0.092 54.935 54.840 0.006 0.000 0.884 224 L CB 0.001 42.080 42.059 0.034 0.000 1.115 224 L HN -0.167 nan 8.230 nan 0.000 0.481 225 S N -1.409 114.255 115.700 -0.061 0.000 2.669 225 S HA 0.354 4.824 4.470 0.000 0.000 0.270 225 S C -0.262 174.369 174.600 0.052 0.000 1.225 225 S CA -0.398 57.762 58.200 -0.066 0.000 0.991 225 S CB 0.723 63.628 63.200 -0.492 0.000 0.987 225 S HN 0.159 nan 8.310 nan 0.000 0.552 226 H N 0.817 120.032 119.070 0.242 0.000 2.466 226 H HA 0.302 4.859 4.556 0.002 0.000 0.338 226 H C -0.924 174.729 175.328 0.541 0.000 1.091 226 H CA -0.253 56.077 56.048 0.469 0.000 1.207 226 H CB 1.273 31.404 29.762 0.615 0.000 1.466 226 H HN 0.660 nan 8.280 nan 0.000 0.493 227 H N 3.321 122.620 119.070 0.381 0.000 2.800 227 H HA 0.272 4.832 4.556 0.006 0.000 0.322 227 H C -1.586 173.767 175.328 0.041 0.000 0.979 227 H CA -0.541 55.599 56.048 0.153 0.000 1.277 227 H CB 0.294 30.022 29.762 -0.056 0.000 1.484 227 H HN 0.329 nan 8.280 nan 0.000 0.512 228 F N 4.089 123.935 119.950 -0.174 0.000 2.445 228 F HA 0.658 5.186 4.527 0.003 0.000 0.348 228 F C -0.189 175.516 175.800 -0.157 0.000 1.125 228 F CA -0.379 57.557 58.000 -0.106 0.000 0.983 228 F CB 1.488 40.377 39.000 -0.185 0.000 1.198 228 F HN 0.627 nan 8.300 nan 0.000 0.436 229 A N 2.771 125.597 122.820 0.011 0.000 2.469 229 A HA 0.800 5.120 4.320 0.000 0.000 0.299 229 A C -1.827 175.725 177.584 -0.053 0.000 1.098 229 A CA -0.684 51.357 52.037 0.007 0.000 0.737 229 A CB 1.540 20.616 19.000 0.126 0.000 1.312 229 A HN 0.847 nan 8.150 nan 0.000 0.414 230 H N 1.083 120.089 119.070 -0.106 0.000 3.181 230 H HA 0.403 4.959 4.556 0.001 0.000 0.331 230 H C -1.250 174.021 175.328 -0.095 0.000 0.988 230 H CA -0.633 55.312 56.048 -0.172 0.000 1.449 230 H CB 0.717 30.412 29.762 -0.111 0.000 1.749 230 H HN 0.662 nan 8.280 nan 0.000 0.501 231 N N 3.099 121.864 118.700 0.107 0.000 2.417 231 N HA 0.247 4.987 4.740 0.000 0.000 0.300 231 N C -1.179 174.414 175.510 0.138 0.000 1.102 231 N CA -0.531 52.600 53.050 0.135 0.000 0.886 231 N CB 1.724 40.256 38.487 0.075 0.000 1.203 231 N HN 0.569 nan 8.380 nan 0.000 0.496 232 D N 0.649 121.105 120.400 0.095 0.000 2.350 232 D HA 0.506 5.146 4.640 0.000 0.000 0.245 232 D C -0.500 175.815 176.300 0.025 0.000 1.036 232 D CA -0.265 53.775 54.000 0.066 0.000 0.848 232 D CB 1.659 42.492 40.800 0.055 0.000 1.307 232 D HN 0.207 nan 8.370 nan 0.000 0.469 233 L N 2.008 123.240 121.223 0.016 0.000 2.376 233 L HA 0.516 4.856 4.340 0.000 0.000 0.275 233 L C -0.886 175.997 176.870 0.022 0.000 0.987 233 L CA -0.728 54.107 54.840 -0.009 0.000 0.828 233 L CB 1.509 43.543 42.059 -0.041 0.000 1.249 233 L HN 0.125 nan 8.230 nan 0.000 0.409 234 L N 4.837 126.078 121.223 0.030 0.000 2.343 234 L HA 0.534 4.874 4.340 0.000 0.000 0.278 234 L C -0.990 175.898 176.870 0.031 0.000 0.996 234 L CA -0.440 54.426 54.840 0.043 0.000 0.831 234 L CB 1.906 44.006 42.059 0.069 0.000 1.232 234 L HN 0.385 nan 8.230 nan 0.000 0.413 235 L N 2.677 123.912 121.223 0.020 0.000 2.329 235 L HA 0.780 5.120 4.340 0.000 0.000 0.279 235 L C 0.469 177.352 176.870 0.021 0.000 1.014 235 L CA 0.149 54.998 54.840 0.015 0.000 0.814 235 L CB 1.791 43.849 42.059 -0.001 0.000 1.257 235 L HN 0.683 nan 8.230 nan 0.000 0.424 236 A N 2.442 125.274 122.820 0.022 0.000 2.829 236 A HA 0.596 4.916 4.320 0.000 0.000 0.248 236 A C -0.077 177.522 177.584 0.024 0.000 1.654 236 A CA -0.304 51.747 52.037 0.024 0.000 0.860 236 A CB 0.159 19.172 19.000 0.021 0.000 1.696 236 A HN 0.664 nan 8.150 nan 0.000 0.576 237 E N 0.110 120.324 120.200 0.023 0.000 2.349 237 E HA 0.140 4.491 4.350 0.000 0.000 0.265 237 E C -1.133 175.479 176.600 0.020 0.000 1.064 237 E CA 0.079 56.494 56.400 0.026 0.000 0.886 237 E CB 0.462 30.174 29.700 0.020 0.000 1.036 237 E HN 0.554 nan 8.360 nan 0.000 0.413 238 D N -0.394 120.026 120.400 0.033 0.000 2.811 238 D HA -0.188 4.452 4.640 0.000 0.000 0.231 238 D C -0.419 175.909 176.300 0.045 0.000 1.157 238 D CA 1.363 55.389 54.000 0.044 0.000 0.716 238 D CB -1.345 39.471 40.800 0.026 0.000 1.077 238 D HN 0.633 nan 8.370 nan 0.000 0.428 239 A N -0.350 122.498 122.820 0.046 0.000 2.311 239 A HA 0.748 5.068 4.320 0.000 0.000 0.334 239 A C 0.349 178.010 177.584 0.128 0.000 1.139 239 A CA -0.187 51.873 52.037 0.039 0.000 0.830 239 A CB 1.689 20.696 19.000 0.013 0.000 1.234 239 A HN 0.006 nan 8.150 nan 0.000 0.483 240 T N 0.539 115.230 114.554 0.228 0.000 2.886 240 T HA 0.707 5.058 4.350 0.000 0.000 0.292 240 T C -0.706 174.137 174.700 0.239 0.000 1.012 240 T CA 0.161 62.431 62.100 0.283 0.000 0.982 240 T CB 1.599 70.761 68.868 0.489 0.000 1.018 240 T HN 1.488 nan 8.240 nan 0.000 0.451 241 A N 2.682 125.569 122.820 0.111 0.000 2.437 241 A HA 0.809 5.129 4.320 0.000 0.000 0.293 241 A C -1.757 175.814 177.584 -0.021 0.000 1.038 241 A CA -0.638 51.466 52.037 0.111 0.000 0.708 241 A CB 0.887 19.902 19.000 0.024 0.000 1.251 241 A HN 0.653 nan 8.150 nan 0.000 0.409 242 F N 1.399 121.338 119.950 -0.018 0.000 2.477 242 F HA 0.659 5.185 4.527 -0.001 0.000 0.335 242 F C 0.632 176.315 175.800 -0.196 0.000 1.130 242 F CA -0.379 57.550 58.000 -0.118 0.000 0.948 242 F CB 2.543 41.524 39.000 -0.032 0.000 1.154 242 F HN 0.463 nan 8.300 nan 0.000 0.439 243 S N 3.796 119.386 115.700 -0.183 0.000 2.552 243 S HA 0.500 4.970 4.470 0.000 0.000 0.314 243 S C -1.344 173.075 174.600 -0.301 0.000 1.099 243 S CA -0.542 57.624 58.200 -0.055 0.000 1.070 243 S CB 0.245 63.492 63.200 0.078 0.000 0.998 243 S HN 0.600 nan 8.310 nan 0.000 0.474 244 H N 2.748 121.873 119.070 0.093 0.000 2.646 244 H HA 0.449 5.009 4.556 0.005 0.000 0.328 244 H C -0.755 174.486 175.328 -0.144 0.000 0.998 244 H CA -0.582 55.438 56.048 -0.048 0.000 1.225 244 H CB 1.612 31.419 29.762 0.073 0.000 1.457 244 H HN 0.439 nan 8.280 nan 0.000 0.505 245 S N 3.145 118.702 115.700 -0.239 0.000 2.473 245 S HA 0.438 4.909 4.470 0.000 0.000 0.307 245 S C -0.547 173.767 174.600 -0.477 0.000 1.094 245 S CA -0.664 57.391 58.200 -0.242 0.000 1.070 245 S CB 0.623 63.673 63.200 -0.249 0.000 1.019 245 S HN 0.338 nan 8.310 nan 0.000 0.480 246 F N 2.733 122.700 119.950 0.028 0.000 2.359 246 F HA 0.401 5.006 4.527 0.130 0.000 0.369 246 F C -0.223 175.666 175.800 0.149 0.000 1.084 246 F CA -0.640 57.434 58.000 0.122 0.000 1.096 246 F CB 0.519 39.653 39.000 0.223 0.000 1.335 246 F HN 0.294 nan 8.300 nan 0.000 0.457 247 L N 5.570 126.880 121.223 0.145 0.000 2.358 247 L HA 0.347 4.687 4.340 0.000 0.000 0.274 247 L C -0.186 176.750 176.870 0.111 0.000 1.136 247 L CA 0.042 54.919 54.840 0.061 0.000 0.970 247 L CB 0.138 42.174 42.059 -0.038 0.000 1.314 247 L HN 0.618 nan 8.230 nan 0.000 0.427 248 L N 3.200 124.547 121.223 0.207 0.000 2.913 248 L HA 0.592 4.933 4.340 0.000 0.000 0.283 248 L C 0.301 177.227 176.870 0.093 0.000 1.336 248 L CA -0.319 54.589 54.840 0.113 0.000 0.815 248 L CB 0.872 42.947 42.059 0.027 0.000 1.188 248 L HN 0.598 nan 8.230 nan 0.000 0.551 249 G N -1.259 107.588 108.800 0.079 0.000 2.616 249 G HA2 0.581 4.541 3.960 0.000 0.000 0.294 249 G HA3 0.581 4.541 3.960 0.000 0.000 0.294 249 G C -0.615 174.303 174.900 0.029 0.000 1.489 249 G CA -0.105 45.041 45.100 0.076 0.000 0.836 249 G HN 0.353 nan 8.290 nan 0.000 0.527 250 G N -1.150 107.665 108.800 0.026 0.000 2.675 250 G HA2 0.418 4.378 3.960 0.000 0.000 0.686 250 G HA3 0.418 4.378 3.960 0.000 0.000 0.686 250 G C 0.826 175.699 174.900 -0.045 0.000 1.215 250 G CA 0.576 45.673 45.100 -0.004 0.000 0.777 250 G HN 2.087 nan 8.290 nan 0.000 0.638 251 A N -0.178 122.584 122.820 -0.097 0.000 1.930 251 A HA 0.540 4.860 4.320 0.000 0.000 0.215 251 A C 1.172 178.672 177.584 -0.141 0.000 1.176 251 A CA 2.159 54.127 52.037 -0.114 0.000 0.632 251 A CB 0.182 19.099 19.000 -0.137 0.000 0.819 251 A HN 1.835 nan 8.150 nan 0.000 0.445 252 V N 0.270 120.043 119.914 -0.235 0.000 2.524 252 V HA 0.506 4.626 4.120 0.000 0.000 0.297 252 V C -0.896 175.131 176.094 -0.112 0.000 1.035 252 V CA -0.304 61.908 62.300 -0.146 0.000 0.867 252 V CB 1.420 33.194 31.823 -0.083 0.000 1.004 252 V HN 0.440 nan 8.190 nan 0.000 0.426 253 L N 5.304 126.430 121.223 -0.162 0.000 2.386 253 L HA 0.792 5.132 4.340 0.000 0.000 0.271 253 L C -0.514 176.135 176.870 -0.369 0.000 0.993 253 L CA -0.533 54.174 54.840 -0.221 0.000 0.819 253 L CB 1.794 43.776 42.059 -0.129 0.000 1.294 253 L HN 0.724 nan 8.230 nan 0.000 0.414 254 R N 3.065 123.217 120.500 -0.580 0.000 2.507 254 R HA 0.348 4.688 4.340 0.000 0.000 0.298 254 R C -1.798 174.342 176.300 -0.267 0.000 1.087 254 R CA -0.642 55.154 56.100 -0.508 0.000 0.917 254 R CB 0.856 30.687 30.300 -0.783 0.000 1.173 254 R HN 0.824 nan 8.270 nan 0.000 0.472 255 H N 2.949 121.894 119.070 -0.207 0.000 2.466 255 H HA 0.452 5.013 4.556 0.009 0.000 0.338 255 H C -1.074 174.149 175.328 -0.175 0.000 1.091 255 H CA -0.486 55.486 56.048 -0.126 0.000 1.207 255 H CB 1.155 30.873 29.762 -0.072 0.000 1.466 255 H HN 0.527 nan 8.280 nan 0.000 0.493 256 N N 3.566 121.753 118.700 -0.855 0.000 2.321 256 N HA 0.242 4.983 4.740 0.000 0.000 0.299 256 N C -1.152 173.907 175.510 -0.752 0.000 1.048 256 N CA -0.643 51.954 53.050 -0.755 0.000 0.836 256 N CB 2.222 40.009 38.487 -1.166 0.000 1.269 256 N HN 0.524 nan 8.380 nan 0.000 0.486 257 T N 0.873 115.249 114.554 -0.297 0.000 2.847 257 T HA 0.341 4.692 4.350 0.000 0.000 0.291 257 T C -0.367 174.342 174.700 0.014 0.000 0.998 257 T CA -0.410 61.653 62.100 -0.062 0.000 0.967 257 T CB 0.912 69.846 68.868 0.111 0.000 0.954 257 T HN 0.244 nan 8.240 nan 0.000 0.441 258 S N 2.470 118.218 115.700 0.080 0.000 2.475 258 S HA 0.787 5.257 4.470 0.000 0.000 0.298 258 S C -0.126 174.561 174.600 0.146 0.000 1.119 258 S CA -0.691 57.613 58.200 0.173 0.000 1.085 258 S CB 1.455 64.734 63.200 0.132 0.000 1.028 258 S HN 0.683 nan 8.310 nan 0.000 0.489 259 T N 3.029 117.701 114.554 0.196 0.000 2.912 259 T HA 0.459 4.809 4.350 0.000 0.000 0.299 259 T C -1.208 173.567 174.700 0.124 0.000 1.052 259 T CA -0.748 61.418 62.100 0.109 0.000 0.996 259 T CB 1.605 70.501 68.868 0.046 0.000 1.070 259 T HN 0.517 nan 8.240 nan 0.000 0.465 260 Q N 1.875 121.718 119.800 0.072 0.000 2.330 260 Q HA 0.501 4.841 4.340 0.000 0.000 0.269 260 Q C -1.046 174.956 176.000 0.003 0.000 1.022 260 Q CA -0.643 55.196 55.803 0.059 0.000 0.796 260 Q CB 2.305 31.093 28.738 0.083 0.000 1.271 260 Q HN 0.503 nan 8.270 nan 0.000 0.450 261 L N 3.106 124.303 121.223 -0.043 0.000 2.287 261 L HA 0.346 4.686 4.340 0.000 0.000 0.280 261 L C 0.346 177.219 176.870 0.005 0.000 1.055 261 L CA -0.347 54.456 54.840 -0.062 0.000 0.863 261 L CB 0.279 42.223 42.059 -0.191 0.000 1.245 261 L HN 0.539 nan 8.230 nan 0.000 0.432 262 N N 2.483 121.200 118.700 0.028 0.000 2.235 262 N HA 0.196 4.936 4.740 0.000 0.000 0.209 262 N C 0.364 175.907 175.510 0.054 0.000 1.122 262 N CA 0.007 53.087 53.050 0.049 0.000 0.845 262 N CB 1.669 40.185 38.487 0.050 0.000 1.004 262 N HN 0.679 nan 8.380 nan 0.000 0.499 263 G N -0.307 108.525 108.800 0.054 0.000 2.696 263 G HA2 0.380 4.340 3.960 0.000 0.000 0.295 263 G HA3 0.380 4.340 3.960 0.000 0.000 0.295 263 G C -0.824 174.127 174.900 0.084 0.000 1.398 263 G CA -0.508 44.628 45.100 0.061 0.000 0.920 263 G HN -0.045 nan 8.290 nan 0.000 0.492 264 E N 0.889 121.148 120.200 0.097 0.000 2.392 264 E HA 0.132 4.482 4.350 0.000 0.000 0.259 264 E C -0.082 176.581 176.600 0.104 0.000 1.108 264 E CA -0.332 56.154 56.400 0.143 0.000 0.916 264 E CB 0.506 30.270 29.700 0.107 0.000 0.989 264 E HN 0.503 nan 8.360 nan 0.000 0.432 265 N N 0.462 119.254 118.700 0.154 0.000 2.754 265 N HA -0.147 4.594 4.740 0.000 0.000 0.248 265 N C -1.205 174.362 175.510 0.095 0.000 1.093 265 N CA 0.718 53.837 53.050 0.116 0.000 0.699 265 N CB -1.278 37.236 38.487 0.045 0.000 1.016 265 N HN 0.194 nan 8.380 nan 0.000 0.552 266 S N -0.323 115.433 115.700 0.093 0.000 2.621 266 S HA 0.686 5.156 4.470 0.000 0.000 0.302 266 S C 0.335 174.964 174.600 0.048 0.000 1.093 266 S CA -0.400 57.839 58.200 0.065 0.000 1.017 266 S CB 2.404 65.627 63.200 0.038 0.000 1.077 266 S HN 0.165 nan 8.310 nan 0.000 0.517 267 T N 2.203 116.773 114.554 0.027 0.000 2.848 267 T HA 0.625 4.976 4.350 0.000 0.000 0.285 267 T C -1.346 173.270 174.700 -0.139 0.000 0.995 267 T CA -0.400 61.680 62.100 -0.033 0.000 0.970 267 T CB 1.136 70.003 68.868 -0.002 0.000 0.976 267 T HN 0.375 nan 8.240 nan 0.000 0.441 268 L N 2.973 124.074 121.223 -0.205 0.000 2.431 268 L HA 0.777 5.117 4.340 0.000 0.000 0.266 268 L C -0.819 175.835 176.870 -0.360 0.000 0.978 268 L CA -0.621 54.053 54.840 -0.276 0.000 0.822 268 L CB 1.851 43.809 42.059 -0.168 0.000 1.310 268 L HN 0.646 nan 8.230 nan 0.000 0.409 269 R N 5.304 125.501 120.500 -0.506 0.000 2.532 269 R HA 0.755 5.095 4.340 0.000 0.000 0.297 269 R C -1.905 174.226 176.300 -0.281 0.000 0.984 269 R CA -0.528 55.330 56.100 -0.403 0.000 0.884 269 R CB 1.323 31.317 30.300 -0.510 0.000 1.182 269 R HN 0.770 nan 8.270 nan 0.000 0.442 270 I N 4.049 124.508 120.570 -0.186 0.000 2.439 270 I HA 0.368 4.538 4.170 0.000 0.000 0.285 270 I C -0.965 175.004 176.117 -0.247 0.000 1.021 270 I CA -0.973 60.240 61.300 -0.144 0.000 1.091 270 I CB 1.985 39.986 38.000 0.002 0.000 1.242 270 I HN 0.574 nan 8.210 nan 0.000 0.439 271 N N 3.589 122.130 118.700 -0.266 0.000 2.328 271 N HA 0.715 5.456 4.740 0.000 0.000 0.299 271 N C -1.075 174.270 175.510 -0.276 0.000 1.179 271 N CA -0.701 52.131 53.050 -0.364 0.000 0.793 271 N CB 2.357 40.760 38.487 -0.140 0.000 1.366 271 N HN 0.636 nan 8.380 nan 0.000 0.493 272 S N -0.113 115.424 115.700 -0.273 0.000 2.537 272 S HA 0.687 5.158 4.470 0.000 0.000 0.270 272 S C -1.760 172.744 174.600 -0.159 0.000 1.142 272 S CA -0.820 57.294 58.200 -0.143 0.000 0.870 272 S CB 1.377 64.664 63.200 0.144 0.000 1.112 272 S HN 0.381 nan 8.310 nan 0.000 0.466 273 L N 2.105 123.198 121.223 -0.217 0.000 2.362 273 L HA 0.945 5.285 4.340 0.000 0.000 0.275 273 L C -0.554 176.321 176.870 0.009 0.000 0.998 273 L CA -0.312 54.480 54.840 -0.080 0.000 0.820 273 L CB 1.493 43.535 42.059 -0.030 0.000 1.270 273 L HN 1.211 nan 8.230 nan 0.000 0.415 274 A N 5.777 128.623 122.820 0.044 0.000 2.393 274 A HA 0.829 5.149 4.320 0.000 0.000 0.306 274 A C -0.740 176.874 177.584 0.049 0.000 1.050 274 A CA -0.477 51.587 52.037 0.045 0.000 0.724 274 A CB 1.306 20.329 19.000 0.038 0.000 1.248 274 A HN 0.750 nan 8.150 nan 0.000 0.424 275 M N 3.966 123.586 119.600 0.034 0.000 3.053 275 M HA 0.216 4.697 4.480 0.000 0.000 0.293 275 M C -2.707 173.592 176.300 -0.001 0.000 1.470 275 M CA -1.260 54.050 55.300 0.017 0.000 0.582 275 M CB 1.463 34.072 32.600 0.015 0.000 1.435 275 M HN 0.434 nan 8.290 nan 0.000 0.451 276 P HA 0.142 nan 4.420 nan 0.000 0.268 276 P C -0.244 177.047 177.300 -0.015 0.000 1.204 276 P CA 0.061 63.156 63.100 -0.009 0.000 0.768 276 P CB 1.104 32.800 31.700 -0.006 0.000 0.842 277 V N 0.587 120.492 119.914 -0.015 0.000 3.624 277 V HA 0.488 4.608 4.120 0.000 0.000 0.297 277 V C 1.255 177.343 176.094 -0.010 0.000 1.319 277 V CA -0.795 61.495 62.300 -0.017 0.000 0.990 277 V CB -0.228 31.582 31.823 -0.021 0.000 1.247 277 V HN 0.525 nan 8.190 nan 0.000 0.476 278 K N -0.060 120.334 120.400 -0.009 0.000 1.749 278 K HA -0.299 4.021 4.320 0.000 0.000 0.124 278 K C 0.493 177.094 176.600 0.002 0.000 0.981 278 K CA 2.594 58.880 56.287 -0.003 0.000 0.341 278 K CB -1.094 31.406 32.500 -0.000 0.000 0.657 278 K HN 0.830 nan 8.250 nan 0.000 0.879 279 N N 2.165 120.868 118.700 0.006 0.000 2.480 279 N HA 0.133 4.873 4.740 0.000 0.000 0.281 279 N C -1.031 174.486 175.510 0.012 0.000 1.381 279 N CA 0.111 53.169 53.050 0.013 0.000 0.903 279 N CB 0.709 39.208 38.487 0.020 0.000 1.274 279 N HN 0.315 nan 8.380 nan 0.000 0.505 280 E N 0.176 120.378 120.200 0.003 0.000 2.283 280 E HA 0.443 4.794 4.350 0.000 0.000 0.271 280 E C -0.431 176.170 176.600 0.002 0.000 1.031 280 E CA -0.570 55.826 56.400 -0.005 0.000 0.868 280 E CB 2.170 31.862 29.700 -0.014 0.000 1.094 280 E HN -0.160 nan 8.360 nan 0.000 0.401 281 V N 1.863 121.775 119.914 -0.003 0.000 2.483 281 V HA 0.216 4.336 4.120 0.000 0.000 0.297 281 V C -0.877 175.204 176.094 -0.022 0.000 1.027 281 V CA -0.794 61.510 62.300 0.008 0.000 0.855 281 V CB 1.543 33.392 31.823 0.044 0.000 0.995 281 V HN 0.793 nan 8.190 nan 0.000 0.424 282 C N 4.469 123.756 119.300 -0.021 0.000 2.316 282 C HA 0.639 5.099 4.460 0.000 0.000 0.324 282 C C -0.790 174.179 174.990 -0.035 0.000 1.226 282 C CA -0.400 58.595 59.018 -0.038 0.000 1.450 282 C CB 0.256 27.984 27.740 -0.019 0.000 2.123 282 C HN 0.943 nan 8.230 nan 0.000 0.454 283 D N 3.558 123.914 120.400 -0.074 0.000 2.414 283 D HA 0.351 4.991 4.640 0.000 0.000 0.232 283 D C -0.529 175.722 176.300 -0.083 0.000 1.070 283 D CA 0.342 54.290 54.000 -0.087 0.000 0.839 283 D CB 1.697 42.407 40.800 -0.150 0.000 1.079 283 D HN 0.584 nan 8.370 nan 0.000 0.521 284 T N 4.092 118.628 114.554 -0.029 0.000 2.791 284 T HA 0.598 4.948 4.350 0.000 0.000 0.288 284 T C -0.567 174.080 174.700 -0.089 0.000 0.999 284 T CA -0.637 61.471 62.100 0.013 0.000 0.952 284 T CB 0.300 69.229 68.868 0.102 0.000 0.938 284 T HN 0.351 nan 8.240 nan 0.000 0.444 285 R N 2.667 123.079 120.500 -0.145 0.000 2.750 285 R HA 0.746 5.086 4.340 0.000 0.000 0.281 285 R C -0.659 175.530 176.300 -0.185 0.000 0.972 285 R CA -1.049 54.880 56.100 -0.285 0.000 0.912 285 R CB 2.123 32.247 30.300 -0.293 0.000 1.187 285 R HN 0.723 nan 8.270 nan 0.000 0.464 286 T N -2.040 112.397 114.554 -0.194 0.000 2.906 286 T HA 0.533 4.884 4.350 0.000 0.000 0.295 286 T C -1.316 173.424 174.700 0.067 0.000 1.061 286 T CA -0.852 61.239 62.100 -0.014 0.000 1.000 286 T CB 2.225 71.150 68.868 0.095 0.000 1.103 286 T HN 0.653 nan 8.240 nan 0.000 0.486 287 W N 4.282 125.539 121.300 -0.072 0.000 2.830 287 W HA 0.660 5.319 4.660 -0.001 0.000 0.335 287 W C -2.732 173.783 176.519 -0.008 0.000 1.043 287 W CA -1.427 55.894 57.345 -0.041 0.000 1.239 287 W CB 1.643 31.091 29.460 -0.019 0.000 1.378 287 W HN 0.773 nan 8.180 nan 0.000 0.456 288 L N 5.207 126.402 121.223 -0.046 0.000 2.409 288 L HA 0.528 4.868 4.340 0.000 0.000 0.272 288 L C -1.012 175.815 176.870 -0.072 0.000 0.980 288 L CA -0.238 54.610 54.840 0.013 0.000 0.826 288 L CB 2.099 44.168 42.059 0.017 0.000 1.268 288 L HN 0.434 nan 8.230 nan 0.000 0.407 289 E N 4.174 124.383 120.200 0.016 0.000 2.145 289 E HA 0.308 4.659 4.350 0.000 0.000 0.262 289 E C -1.057 175.549 176.600 0.010 0.000 0.883 289 E CA -0.500 55.917 56.400 0.027 0.000 0.748 289 E CB 0.889 30.658 29.700 0.116 0.000 1.140 289 E HN 0.534 nan 8.360 nan 0.000 0.417 290 H N 3.549 122.611 119.070 -0.013 0.000 3.008 290 H HA 0.127 4.683 4.556 0.000 0.000 0.268 290 H C 0.140 175.482 175.328 0.022 0.000 1.323 290 H CA -0.160 55.889 56.048 0.001 0.000 1.401 290 H CB 0.416 30.161 29.762 -0.027 0.000 1.556 290 H HN 0.456 nan 8.280 nan 0.000 0.502 291 N N 1.694 120.456 118.700 0.105 0.000 2.395 291 N HA -0.036 4.704 4.740 0.000 0.000 0.175 291 N C 0.308 175.886 175.510 0.113 0.000 1.029 291 N CA 0.707 53.819 53.050 0.104 0.000 0.897 291 N CB 0.721 39.262 38.487 0.089 0.000 0.991 291 N HN 0.386 nan 8.380 nan 0.000 0.441 292 K N 0.103 120.575 120.400 0.120 0.000 2.281 292 K HA 0.496 4.816 4.320 0.000 0.000 0.242 292 K C 0.456 177.157 176.600 0.168 0.000 0.971 292 K CA -0.702 55.671 56.287 0.142 0.000 0.834 292 K CB 1.771 34.352 32.500 0.135 0.000 1.181 292 K HN -0.027 nan 8.250 nan 0.000 0.435 293 G N -0.327 108.585 108.800 0.187 0.000 2.553 293 G HA2 0.351 4.311 3.960 0.000 0.000 0.278 293 G HA3 0.351 4.311 3.960 0.000 0.000 0.278 293 G C -0.450 174.594 174.900 0.240 0.000 1.349 293 G CA -0.455 44.695 45.100 0.083 0.000 1.037 293 G HN 0.571 nan 8.290 nan 0.000 0.508 294 F N -2.554 117.437 119.950 0.069 0.000 3.093 294 F HA -0.196 4.330 4.527 -0.000 0.000 0.287 294 F C 0.730 176.574 175.800 0.074 0.000 0.882 294 F CA -0.029 58.006 58.000 0.058 0.000 1.063 294 F CB -2.191 36.837 39.000 0.046 0.000 1.097 294 F HN 0.352 nan 8.300 nan 0.000 0.604 295 C N 0.601 120.030 119.300 0.214 0.000 2.493 295 C HA 0.582 5.042 4.460 0.000 0.000 0.326 295 C C 0.486 175.605 174.990 0.215 0.000 1.200 295 C CA -1.100 58.039 59.018 0.202 0.000 1.739 295 C CB 1.715 29.561 27.740 0.178 0.000 2.300 295 C HN 0.477 nan 8.230 nan 0.000 0.500 296 N N 1.409 120.198 118.700 0.148 0.000 2.417 296 N HA 0.467 5.208 4.740 0.000 0.000 0.274 296 N C -0.912 174.649 175.510 0.086 0.000 0.987 296 N CA 0.173 53.288 53.050 0.107 0.000 0.912 296 N CB 1.726 40.244 38.487 0.052 0.000 1.177 296 N HN 0.889 nan 8.380 nan 0.000 0.490 297 S N 3.444 119.219 115.700 0.125 0.000 2.521 297 S HA 0.685 5.156 4.470 0.000 0.000 0.295 297 S C -0.799 173.815 174.600 0.024 0.000 1.098 297 S CA -0.909 57.331 58.200 0.066 0.000 0.999 297 S CB 2.261 65.566 63.200 0.174 0.000 1.034 297 S HN 0.478 nan 8.310 nan 0.000 0.483 298 R N 1.549 122.026 120.500 -0.037 0.000 2.574 298 R HA 0.507 4.847 4.340 0.000 0.000 0.288 298 R C -1.194 175.068 176.300 -0.064 0.000 1.004 298 R CA -0.405 55.669 56.100 -0.043 0.000 0.895 298 R CB 2.063 32.326 30.300 -0.061 0.000 1.191 298 R HN 0.858 nan 8.270 nan 0.000 0.444 299 Q N 1.896 121.668 119.800 -0.046 0.000 2.331 299 Q HA 0.533 4.874 4.340 0.000 0.000 0.272 299 Q C -1.226 174.661 176.000 -0.190 0.000 1.062 299 Q CA -1.065 54.676 55.803 -0.103 0.000 0.806 299 Q CB 3.035 31.829 28.738 0.094 0.000 1.312 299 Q HN 0.231 nan 8.270 nan 0.000 0.431 300 L N 2.758 123.744 121.223 -0.394 0.000 2.406 300 L HA 0.417 4.757 4.340 0.000 0.000 0.270 300 L C -1.770 174.773 176.870 -0.546 0.000 0.982 300 L CA -0.196 54.435 54.840 -0.348 0.000 0.843 300 L CB 1.152 43.076 42.059 -0.225 0.000 1.225 300 L HN 0.645 nan 8.230 nan 0.000 0.412 301 H N 4.979 123.901 119.070 -0.248 0.000 2.708 301 H HA 0.460 5.016 4.556 -0.000 0.000 0.320 301 H C -0.910 174.267 175.328 -0.252 0.000 0.991 301 H CA -0.622 55.265 56.048 -0.267 0.000 1.243 301 H CB 1.471 30.969 29.762 -0.441 0.000 1.446 301 H HN 0.503 nan 8.280 nan 0.000 0.502 302 K N 2.061 122.403 120.400 -0.096 0.000 2.207 302 K HA 0.413 4.734 4.320 0.000 0.000 0.255 302 K C 0.015 176.658 176.600 0.071 0.000 0.941 302 K CA -0.768 55.479 56.287 -0.066 0.000 0.825 302 K CB 2.290 34.619 32.500 -0.284 0.000 1.119 302 K HN 0.576 nan 8.250 nan 0.000 0.430 303 T N -0.770 113.893 114.554 0.182 0.000 2.893 303 T HA 0.668 5.018 4.350 0.000 0.000 0.291 303 T C -0.454 174.350 174.700 0.173 0.000 1.028 303 T CA -0.840 61.346 62.100 0.143 0.000 0.995 303 T CB 0.695 69.607 68.868 0.074 0.000 1.051 303 T HN 0.391 nan 8.240 nan 0.000 0.470 304 I N 2.478 123.100 120.570 0.085 0.000 2.448 304 I HA 0.418 4.589 4.170 0.000 0.000 0.281 304 I C -0.828 175.271 176.117 -0.029 0.000 1.027 304 I CA -0.875 60.419 61.300 -0.009 0.000 1.111 304 I CB 2.082 40.078 38.000 -0.008 0.000 1.236 304 I HN 0.488 nan 8.210 nan 0.000 0.452 305 V N 5.035 124.918 119.914 -0.051 0.000 2.347 305 V HA 0.437 4.557 4.120 0.000 0.000 0.280 305 V C 0.396 176.459 176.094 -0.051 0.000 1.021 305 V CA -0.343 61.933 62.300 -0.040 0.000 0.847 305 V CB 1.346 33.148 31.823 -0.034 0.000 0.990 305 V HN 0.729 nan 8.190 nan 0.000 0.444 306 S N 2.487 118.162 115.700 -0.041 0.000 2.686 306 S HA 0.256 4.726 4.470 0.000 0.000 0.270 306 S C -0.108 174.473 174.600 -0.031 0.000 1.194 306 S CA -0.508 57.667 58.200 -0.042 0.000 0.990 306 S CB 0.720 63.897 63.200 -0.039 0.000 1.029 306 S HN 0.893 nan 8.310 nan 0.000 0.560 307 D N 0.771 121.154 120.400 -0.027 0.000 2.487 307 D HA 0.089 4.729 4.640 0.000 0.000 0.243 307 D C 0.289 176.582 176.300 -0.011 0.000 1.154 307 D CA 1.026 55.015 54.000 -0.019 0.000 0.876 307 D CB 0.076 40.866 40.800 -0.016 0.000 1.161 307 D HN 0.512 nan 8.370 nan 0.000 0.478 308 K N 0.432 120.829 120.400 -0.006 0.000 3.547 308 K HA -0.139 4.181 4.320 0.000 0.000 0.309 308 K C 0.641 177.243 176.600 0.004 0.000 1.324 308 K CA 0.799 57.087 56.287 0.002 0.000 0.988 308 K CB -1.554 30.950 32.500 0.006 0.000 1.261 308 K HN 0.553 nan 8.250 nan 0.000 0.444 309 G N 0.972 109.770 108.800 -0.003 0.000 2.504 309 G HA2 0.493 4.453 3.960 0.000 0.000 0.288 309 G HA3 0.493 4.453 3.960 0.000 0.000 0.288 309 G C -0.856 174.044 174.900 0.000 0.000 1.182 309 G CA -0.443 44.656 45.100 -0.002 0.000 0.894 309 G HN 0.159 nan 8.290 nan 0.000 0.521 310 R N 0.015 120.518 120.500 0.004 0.000 2.515 310 R HA 0.562 4.902 4.340 0.000 0.000 0.291 310 R C -0.905 175.396 176.300 0.000 0.000 1.046 310 R CA -0.602 55.501 56.100 0.004 0.000 0.914 310 R CB 1.472 31.787 30.300 0.026 0.000 1.191 310 R HN 0.698 nan 8.270 nan 0.000 0.435 311 A N 3.628 126.442 122.820 -0.010 0.000 2.324 311 A HA 0.673 4.993 4.320 0.000 0.000 0.330 311 A C -0.951 176.624 177.584 -0.016 0.000 1.165 311 A CA -0.583 51.453 52.037 -0.002 0.000 0.813 311 A CB 1.702 20.709 19.000 0.012 0.000 1.197 311 A HN 0.407 nan 8.150 nan 0.000 0.484 312 V N 2.224 122.138 119.914 -0.001 0.000 2.588 312 V HA 0.545 4.665 4.120 0.000 0.000 0.304 312 V C -1.068 175.052 176.094 0.044 0.000 1.042 312 V CA -0.360 61.930 62.300 -0.017 0.000 0.877 312 V CB 1.375 33.197 31.823 -0.002 0.000 0.996 312 V HN 0.817 nan 8.190 nan 0.000 0.425 313 F N 4.327 124.215 119.950 -0.104 0.000 2.520 313 F HA 0.754 5.281 4.527 -0.001 0.000 0.322 313 F C -0.461 175.270 175.800 -0.114 0.000 1.103 313 F CA -0.674 57.254 58.000 -0.120 0.000 0.926 313 F CB 1.915 40.856 39.000 -0.098 0.000 1.154 313 F HN 0.541 nan 8.300 nan 0.000 0.453 314 N N 2.940 120.863 118.700 -1.295 0.000 2.454 314 N HA 0.646 5.386 4.740 0.000 0.000 0.291 314 N C -1.357 173.422 175.510 -1.218 0.000 1.079 314 N CA -0.421 52.045 53.050 -0.973 0.000 0.893 314 N CB 1.956 40.171 38.487 -0.454 0.000 1.512 314 N HN 0.918 nan 8.380 nan 0.000 0.497 315 G N 2.497 110.725 108.800 -0.954 0.000 2.737 315 G HA2 0.478 4.438 3.960 0.000 0.000 0.290 315 G HA3 0.478 4.438 3.960 0.000 0.000 0.290 315 G C -1.577 173.158 174.900 -0.275 0.000 1.482 315 G CA -0.450 44.347 45.100 -0.505 0.000 1.017 315 G HN 0.558 nan 8.290 nan 0.000 0.529 316 L N 3.346 124.433 121.223 -0.227 0.000 2.296 316 L HA 0.767 5.108 4.340 0.000 0.000 0.286 316 L C -0.789 175.905 176.870 -0.293 0.000 1.023 316 L CA -1.004 53.659 54.840 -0.295 0.000 0.812 316 L CB 1.132 42.930 42.059 -0.436 0.000 1.223 316 L HN 0.388 nan 8.230 nan 0.000 0.421 317 I N 5.355 125.775 120.570 -0.251 0.000 2.418 317 I HA 0.363 4.533 4.170 0.000 0.000 0.287 317 I C -0.721 175.249 176.117 -0.244 0.000 1.008 317 I CA -0.516 60.671 61.300 -0.189 0.000 1.104 317 I CB 1.728 39.680 38.000 -0.080 0.000 1.264 317 I HN 0.588 nan 8.210 nan 0.000 0.438 318 N N 6.431 124.989 118.700 -0.237 0.000 2.407 318 N HA 0.399 5.139 4.740 0.000 0.000 0.277 318 N C -1.588 173.854 175.510 -0.113 0.000 0.995 318 N CA -0.303 52.608 53.050 -0.232 0.000 0.903 318 N CB 2.349 40.700 38.487 -0.228 0.000 1.218 318 N HN 0.253 nan 8.380 nan 0.000 0.487 319 V N 2.745 122.550 119.914 -0.181 0.000 2.334 319 V HA 0.489 4.609 4.120 0.000 0.000 0.281 319 V C 0.666 176.741 176.094 -0.031 0.000 1.016 319 V CA -0.959 61.285 62.300 -0.093 0.000 0.832 319 V CB 0.671 32.381 31.823 -0.188 0.000 0.999 319 V HN 0.796 nan 8.190 nan 0.000 0.439 320 A N 4.093 126.953 122.820 0.066 0.000 2.406 320 A HA 0.339 4.659 4.320 0.000 0.000 0.243 320 A C 0.372 177.998 177.584 0.070 0.000 1.082 320 A CA -0.076 52.033 52.037 0.119 0.000 0.786 320 A CB 0.190 19.255 19.000 0.108 0.000 1.029 320 A HN 0.863 nan 8.150 nan 0.000 0.495 321 Q N 0.169 119.992 119.800 0.038 0.000 2.349 321 Q HA 0.045 4.386 4.340 0.000 0.000 0.287 321 Q C -0.171 175.722 176.000 -0.178 0.000 1.044 321 Q CA 0.567 56.270 55.803 -0.167 0.000 0.918 321 Q CB 0.038 28.585 28.738 -0.318 0.000 1.242 321 Q HN 0.898 nan 8.270 nan 0.000 0.405 322 H N -0.356 118.736 119.070 0.036 0.000 3.395 322 H HA -0.207 4.349 4.556 0.000 0.000 0.222 322 H C -0.413 174.922 175.328 0.011 0.000 1.099 322 H CA 0.940 57.001 56.048 0.023 0.000 1.182 322 H CB -1.877 27.908 29.762 0.037 0.000 1.188 322 H HN 0.600 nan 8.280 nan 0.000 0.317 323 A N 1.490 124.349 122.820 0.067 0.000 3.118 323 A HA 0.436 4.756 4.320 0.000 0.000 0.256 323 A C 1.327 178.858 177.584 -0.089 0.000 1.667 323 A CA -0.240 51.812 52.037 0.025 0.000 1.338 323 A CB -1.195 17.833 19.000 0.046 0.000 1.127 323 A HN 0.450 nan 8.150 nan 0.000 0.634 324 I N -2.782 117.700 120.570 -0.146 0.000 2.836 324 I HA 0.253 4.423 4.170 0.000 0.000 0.285 324 I C 0.383 176.173 176.117 -0.545 0.000 1.174 324 I CA -0.501 60.636 61.300 -0.273 0.000 1.405 324 I CB 0.361 38.227 38.000 -0.224 0.000 1.385 324 I HN 0.262 nan 8.210 nan 0.000 0.594 325 K N 1.142 121.286 120.400 -0.427 0.000 3.230 325 K HA -0.132 4.188 4.320 0.000 0.000 0.285 325 K C -0.059 176.383 176.600 -0.263 0.000 1.196 325 K CA 0.755 56.800 56.287 -0.405 0.000 0.838 325 K CB -2.736 29.361 32.500 -0.672 0.000 1.262 325 K HN 0.942 nan 8.250 nan 0.000 0.492 326 T N 1.726 116.141 114.554 -0.231 0.000 2.901 326 T HA 0.131 4.482 4.350 0.000 0.000 0.301 326 T C 0.037 174.613 174.700 -0.207 0.000 1.012 326 T CA -0.037 61.929 62.100 -0.224 0.000 1.135 326 T CB 0.881 69.538 68.868 -0.352 0.000 0.936 326 T HN 0.089 nan 8.240 nan 0.000 0.539 327 D N 2.335 122.643 120.400 -0.153 0.000 2.389 327 D HA 0.414 5.054 4.640 0.000 0.000 0.256 327 D C -0.459 175.789 176.300 -0.088 0.000 1.239 327 D CA -0.358 53.582 54.000 -0.101 0.000 0.925 327 D CB 0.834 41.612 40.800 -0.037 0.000 1.145 327 D HN 0.683 nan 8.370 nan 0.000 0.542 328 G N 2.402 111.121 108.800 -0.136 0.000 2.590 328 G HA2 0.582 4.542 3.960 0.000 0.000 0.310 328 G HA3 0.582 4.542 3.960 0.000 0.000 0.310 328 G C -0.870 174.012 174.900 -0.031 0.000 1.347 328 G CA -0.468 44.592 45.100 -0.066 0.000 0.963 328 G HN 0.343 nan 8.290 nan 0.000 0.494 329 Q N 0.647 120.452 119.800 0.009 0.000 2.397 329 Q HA 0.640 4.980 4.340 0.000 0.000 0.275 329 Q C -1.016 175.014 176.000 0.050 0.000 1.090 329 Q CA -0.762 55.049 55.803 0.012 0.000 0.809 329 Q CB 3.322 32.052 28.738 -0.013 0.000 1.362 329 Q HN 0.600 nan 8.270 nan 0.000 0.431 330 M N 1.273 120.925 119.600 0.086 0.000 2.271 330 M HA 0.493 4.973 4.480 0.000 0.000 0.285 330 M C -1.732 174.618 176.300 0.083 0.000 1.059 330 M CA -0.127 55.273 55.300 0.166 0.000 0.940 330 M CB 2.301 35.097 32.600 0.326 0.000 1.636 330 M HN 0.540 nan 8.290 nan 0.000 0.460 331 T N 4.126 118.671 114.554 -0.015 0.000 2.879 331 T HA 0.402 4.752 4.350 0.000 0.000 0.290 331 T C -1.204 173.387 174.700 -0.182 0.000 0.993 331 T CA -0.742 61.270 62.100 -0.148 0.000 0.975 331 T CB 1.146 69.927 68.868 -0.145 0.000 0.981 331 T HN 0.731 nan 8.240 nan 0.000 0.439 332 N N 3.689 122.253 118.700 -0.227 0.000 2.491 332 N HA 0.198 4.938 4.740 0.000 0.000 0.274 332 N C -1.411 174.013 175.510 -0.143 0.000 1.023 332 N CA -0.580 52.298 53.050 -0.287 0.000 0.902 332 N CB 0.716 38.900 38.487 -0.506 0.000 1.267 332 N HN 0.445 nan 8.380 nan 0.000 0.503 333 N N 2.760 121.407 118.700 -0.088 0.000 2.408 333 N HA 0.323 5.063 4.740 0.000 0.000 0.280 333 N C -1.267 174.366 175.510 0.205 0.000 1.002 333 N CA -0.420 52.661 53.050 0.052 0.000 0.907 333 N CB 1.315 39.828 38.487 0.044 0.000 1.161 333 N HN 0.569 nan 8.380 nan 0.000 0.488 334 N N 1.902 120.704 118.700 0.169 0.000 2.399 334 N HA 0.280 5.020 4.740 0.000 0.000 0.280 334 N C -1.082 174.419 175.510 -0.016 0.000 1.008 334 N CA -0.526 52.589 53.050 0.108 0.000 0.894 334 N CB 2.454 40.959 38.487 0.030 0.000 1.273 334 N HN 0.336 nan 8.380 nan 0.000 0.486 335 L N 3.227 124.356 121.223 -0.158 0.000 2.280 335 L HA 0.497 4.837 4.340 0.000 0.000 0.287 335 L C -1.040 175.701 176.870 -0.216 0.000 1.023 335 L CA -0.452 54.164 54.840 -0.373 0.000 0.819 335 L CB 0.722 42.236 42.059 -0.907 0.000 1.212 335 L HN 0.381 nan 8.230 nan 0.000 0.420 336 L N 6.153 127.279 121.223 -0.162 0.000 2.275 336 L HA 0.361 4.701 4.340 0.000 0.000 0.288 336 L C 0.682 177.481 176.870 -0.118 0.000 1.046 336 L CA -0.356 54.417 54.840 -0.112 0.000 0.805 336 L CB 1.462 43.474 42.059 -0.079 0.000 1.193 336 L HN 0.662 nan 8.230 nan 0.000 0.426 337 M N 2.111 121.651 119.600 -0.100 0.000 2.333 337 M HA 0.311 4.791 4.480 0.000 0.000 0.257 337 M C 0.542 176.802 176.300 -0.067 0.000 1.078 337 M CA 0.078 55.322 55.300 -0.093 0.000 1.005 337 M CB 0.468 33.012 32.600 -0.094 0.000 1.444 337 M HN 0.699 nan 8.290 nan 0.000 0.496 338 G N -0.170 108.597 108.800 -0.055 0.000 2.660 338 G HA2 0.388 4.348 3.960 0.000 0.000 0.290 338 G HA3 0.388 4.348 3.960 0.000 0.000 0.290 338 G C 0.016 174.897 174.900 -0.032 0.000 1.432 338 G CA -0.611 44.465 45.100 -0.039 0.000 0.807 338 G HN 0.088 nan 8.290 nan 0.000 0.485 339 K N -0.542 119.844 120.400 -0.023 0.000 2.442 339 K HA 0.075 4.395 4.320 0.000 0.000 0.198 339 K C 1.205 177.798 176.600 -0.012 0.000 1.042 339 K CA 0.799 57.076 56.287 -0.017 0.000 0.958 339 K CB -0.005 32.488 32.500 -0.011 0.000 0.766 339 K HN 0.267 nan 8.250 nan 0.000 0.474 340 L N 0.181 121.397 121.223 -0.012 0.000 2.857 340 L HA 0.255 4.596 4.340 0.000 0.000 0.249 340 L C 0.410 177.276 176.870 -0.008 0.000 1.172 340 L CA -0.547 54.290 54.840 -0.005 0.000 0.980 340 L CB 0.578 42.637 42.059 -0.001 0.000 1.299 340 L HN -0.046 nan 8.230 nan 0.000 0.535 341 A N 0.626 123.436 122.820 -0.017 0.000 2.386 341 A HA 0.514 4.835 4.320 0.000 0.000 0.248 341 A C -0.016 177.556 177.584 -0.020 0.000 1.082 341 A CA 0.135 52.159 52.037 -0.021 0.000 0.789 341 A CB 0.337 19.316 19.000 -0.034 0.000 1.025 341 A HN 0.340 nan 8.150 nan 0.000 0.490 342 E N -0.445 119.744 120.200 -0.019 0.000 2.340 342 E HA 0.568 4.919 4.350 0.000 0.000 0.273 342 E C -1.742 174.833 176.600 -0.040 0.000 0.891 342 E CA -0.705 55.680 56.400 -0.025 0.000 0.757 342 E CB 2.513 32.207 29.700 -0.010 0.000 1.231 342 E HN 0.469 nan 8.360 nan 0.000 0.439 343 V N 2.275 122.151 119.914 -0.063 0.000 2.777 343 V HA 0.364 4.484 4.120 0.000 0.000 0.306 343 V C -1.906 174.096 176.094 -0.153 0.000 1.112 343 V CA -0.497 61.755 62.300 -0.080 0.000 0.917 343 V CB 2.001 33.798 31.823 -0.044 0.000 1.018 343 V HN 0.672 nan 8.190 nan 0.000 0.426 344 D N 3.955 124.208 120.400 -0.245 0.000 2.492 344 D HA 0.455 5.095 4.640 0.000 0.000 0.248 344 D C -0.866 175.293 176.300 -0.236 0.000 1.101 344 D CA -0.074 53.653 54.000 -0.454 0.000 0.840 344 D CB 2.224 42.276 40.800 -1.247 0.000 1.209 344 D HN 0.606 nan 8.370 nan 0.000 0.524 345 T N 1.293 115.785 114.554 -0.104 0.000 2.881 345 T HA 0.442 4.792 4.350 0.000 0.000 0.290 345 T C -1.221 173.521 174.700 0.070 0.000 1.000 345 T CA -0.664 61.484 62.100 0.079 0.000 0.978 345 T CB 0.831 69.814 68.868 0.191 0.000 0.997 345 T HN 0.212 nan 8.240 nan 0.000 0.443 346 K N 5.866 126.284 120.400 0.031 0.000 2.664 346 K HA 0.394 4.714 4.320 0.000 0.000 0.234 346 K C -2.717 173.782 176.600 -0.168 0.000 0.980 346 K CA -1.683 54.579 56.287 -0.042 0.000 0.996 346 K CB 2.111 34.597 32.500 -0.024 0.000 1.190 346 K HN 0.440 nan 8.250 nan 0.000 0.479 347 P HA 0.081 nan 4.420 nan 0.000 0.276 347 P C -1.193 175.963 177.300 -0.240 0.000 1.244 347 P CA -0.475 62.411 63.100 -0.357 0.000 0.801 347 P CB 1.104 32.301 31.700 -0.837 0.000 1.006 348 Q N 1.572 121.234 119.800 -0.231 0.000 2.650 348 Q HA 0.376 4.716 4.340 0.000 0.000 0.239 348 Q C -1.564 174.319 176.000 -0.195 0.000 0.893 348 Q CA -0.334 55.361 55.803 -0.181 0.000 0.755 348 Q CB 0.522 29.157 28.738 -0.171 0.000 1.349 348 Q HN 0.392 nan 8.270 nan 0.000 0.461 349 L N 3.115 124.238 121.223 -0.166 0.000 2.275 349 L HA 0.498 4.839 4.340 0.000 0.000 0.288 349 L C -0.233 176.505 176.870 -0.219 0.000 1.046 349 L CA -0.319 54.413 54.840 -0.180 0.000 0.805 349 L CB 1.420 43.398 42.059 -0.136 0.000 1.193 349 L HN 0.591 nan 8.230 nan 0.000 0.426 350 E N 5.034 125.047 120.200 -0.312 0.000 2.346 350 E HA 0.387 4.737 4.350 0.000 0.000 0.239 350 E C -1.040 175.055 176.600 -0.840 0.000 0.943 350 E CA -0.450 55.656 56.400 -0.490 0.000 0.751 350 E CB 1.566 31.047 29.700 -0.366 0.000 1.241 350 E HN 0.337 nan 8.360 nan 0.000 0.423 351 I N 2.897 123.005 120.570 -0.770 0.000 2.355 351 I HA 0.172 4.343 4.170 0.000 0.000 0.288 351 I C -0.156 175.635 176.117 -0.543 0.000 0.999 351 I CA -0.534 60.414 61.300 -0.587 0.000 1.163 351 I CB 0.264 38.090 38.000 -0.291 0.000 1.316 351 I HN 0.602 nan 8.210 nan 0.000 0.454 352 Y N 4.086 124.335 120.300 -0.085 0.000 2.660 352 Y HA 0.617 5.167 4.550 0.001 0.000 0.254 352 Y C 0.832 176.663 175.900 -0.115 0.000 1.176 352 Y CA -0.559 57.484 58.100 -0.094 0.000 1.195 352 Y CB 0.958 39.362 38.460 -0.093 0.000 1.190 352 Y HN 0.624 nan 8.280 nan 0.000 0.535 353 A N 0.618 123.424 122.820 -0.025 0.000 2.393 353 A HA 0.312 4.632 4.320 0.000 0.000 0.306 353 A C 0.223 177.772 177.584 -0.058 0.000 1.050 353 A CA -0.612 51.396 52.037 -0.049 0.000 0.724 353 A CB 0.974 19.937 19.000 -0.063 0.000 1.248 353 A HN 0.302 nan 8.150 nan 0.000 0.424 354 D N 1.061 121.437 120.400 -0.041 0.000 2.183 354 D HA -0.108 4.532 4.640 0.000 0.000 0.205 354 D C 0.089 176.357 176.300 -0.053 0.000 0.962 354 D CA 0.764 54.739 54.000 -0.040 0.000 0.849 354 D CB -0.051 40.737 40.800 -0.021 0.000 0.978 354 D HN 0.422 nan 8.370 nan 0.000 0.488 355 D N 1.172 121.538 120.400 -0.057 0.000 2.688 355 D HA 0.159 4.799 4.640 0.000 0.000 0.228 355 D C -0.108 176.128 176.300 -0.108 0.000 1.116 355 D CA -0.307 53.650 54.000 -0.072 0.000 1.023 355 D CB -0.206 40.553 40.800 -0.067 0.000 1.100 355 D HN 0.122 nan 8.370 nan 0.000 0.487 356 V N -1.471 118.381 119.914 -0.104 0.000 3.181 356 V HA 0.655 4.775 4.120 0.000 0.000 0.308 356 V C -0.855 175.176 176.094 -0.106 0.000 1.214 356 V CA -1.148 61.074 62.300 -0.129 0.000 1.053 356 V CB 2.224 33.954 31.823 -0.155 0.000 1.069 356 V HN -0.025 nan 8.190 nan 0.000 0.441 357 K N 1.024 121.355 120.400 -0.115 0.000 2.621 357 K HA 0.709 5.029 4.320 0.000 0.000 0.233 357 K C -1.643 174.895 176.600 -0.103 0.000 0.972 357 K CA -0.162 56.072 56.287 -0.089 0.000 0.988 357 K CB 1.383 33.842 32.500 -0.068 0.000 1.187 357 K HN 0.866 nan 8.250 nan 0.000 0.471 358 C N 1.683 120.924 119.300 -0.098 0.000 2.498 358 C HA 0.731 5.191 4.460 0.000 0.000 0.316 358 C C -0.255 174.702 174.990 -0.054 0.000 1.209 358 C CA -0.714 58.246 59.018 -0.097 0.000 1.518 358 C CB 1.040 28.700 27.740 -0.132 0.000 2.147 358 C HN 0.899 nan 8.230 nan 0.000 0.483 359 S N 1.255 116.939 115.700 -0.027 0.000 2.570 359 S HA 0.780 5.250 4.470 0.000 0.000 0.270 359 S C -1.436 173.200 174.600 0.060 0.000 1.149 359 S CA -0.614 57.587 58.200 0.002 0.000 0.837 359 S CB 1.559 64.745 63.200 -0.023 0.000 1.124 359 S HN 0.983 nan 8.310 nan 0.000 0.465 360 H N -0.369 118.688 119.070 -0.023 0.000 2.851 360 H HA 0.756 5.311 4.556 -0.001 0.000 0.372 360 H C -0.431 174.893 175.328 -0.008 0.000 1.158 360 H CA 0.118 56.163 56.048 -0.005 0.000 1.159 360 H CB 1.782 31.553 29.762 0.015 0.000 1.757 360 H HN 1.158 nan 8.280 nan 0.000 0.546 361 G N 1.468 109.668 108.800 -0.999 0.000 2.667 361 G HA2 0.685 4.646 3.960 0.000 0.000 0.298 361 G HA3 0.685 4.646 3.960 0.000 0.000 0.298 361 G C -1.747 172.733 174.900 -0.699 0.000 1.377 361 G CA -0.323 44.388 45.100 -0.650 0.000 0.964 361 G HN 0.809 nan 8.290 nan 0.000 0.493 362 A N 0.762 123.393 122.820 -0.314 0.000 2.449 362 A HA 0.968 5.288 4.320 0.000 0.000 0.302 362 A C -0.132 177.418 177.584 -0.057 0.000 1.048 362 A CA -0.280 51.685 52.037 -0.119 0.000 0.708 362 A CB 1.937 20.983 19.000 0.075 0.000 1.274 362 A HN 1.743 nan 8.150 nan 0.000 0.410 363 T N -1.403 113.131 114.554 -0.033 0.000 2.900 363 T HA 0.744 5.094 4.350 0.000 0.000 0.295 363 T C -1.026 173.678 174.700 0.007 0.000 1.044 363 T CA -0.685 61.409 62.100 -0.011 0.000 0.995 363 T CB 1.414 70.281 68.868 -0.002 0.000 1.072 363 T HN 1.027 nan 8.240 nan 0.000 0.473 364 V N 1.391 121.303 119.914 -0.004 0.000 2.623 364 V HA 0.931 5.051 4.120 0.000 0.000 0.304 364 V C 0.480 176.555 176.094 -0.031 0.000 1.054 364 V CA -0.065 62.226 62.300 -0.015 0.000 0.882 364 V CB 1.365 33.178 31.823 -0.017 0.000 1.002 364 V HN 1.504 nan 8.190 nan 0.000 0.424 365 G N 4.050 112.817 108.800 -0.056 0.000 2.489 365 G HA2 0.719 4.679 3.960 0.000 0.000 0.305 365 G HA3 0.719 4.679 3.960 0.000 0.000 0.305 365 G C -1.453 173.380 174.900 -0.113 0.000 1.311 365 G CA -0.661 44.396 45.100 -0.071 0.000 0.813 365 G HN 0.866 nan 8.290 nan 0.000 0.480 366 R N -1.451 118.981 120.500 -0.113 0.000 2.922 366 R HA 0.771 5.112 4.340 0.000 0.000 0.256 366 R C -0.738 175.475 176.300 -0.145 0.000 1.138 366 R CA -1.020 54.996 56.100 -0.140 0.000 0.995 366 R CB 1.158 31.391 30.300 -0.110 0.000 1.226 366 R HN 0.381 nan 8.270 nan 0.000 0.481 367 I N 1.855 122.332 120.570 -0.155 0.000 2.533 367 I HA 0.007 4.177 4.170 0.000 0.000 0.284 367 I C 0.035 176.069 176.117 -0.138 0.000 1.109 367 I CA -0.120 61.094 61.300 -0.143 0.000 1.412 367 I CB 0.599 38.516 38.000 -0.139 0.000 1.396 367 I HN 0.603 nan 8.210 nan 0.000 0.543 368 D N 5.359 125.682 120.400 -0.128 0.000 2.425 368 D HA -0.042 4.598 4.640 0.000 0.000 0.247 368 D C 0.791 176.956 176.300 -0.225 0.000 1.147 368 D CA 0.019 53.933 54.000 -0.143 0.000 0.879 368 D CB 0.911 41.646 40.800 -0.107 0.000 1.179 368 D HN 0.386 nan 8.370 nan 0.000 0.456 369 D N 3.257 123.471 120.400 -0.311 0.000 2.149 369 D HA -0.178 4.463 4.640 0.000 0.000 0.198 369 D C 1.879 177.688 176.300 -0.819 0.000 0.990 369 D CA 1.898 55.504 54.000 -0.658 0.000 0.839 369 D CB -0.312 40.066 40.800 -0.704 0.000 0.948 369 D HN 0.756 nan 8.370 nan 0.000 0.460 370 E N 0.814 120.794 120.200 -0.367 0.000 2.118 370 E HA -0.282 4.068 4.350 0.000 0.000 0.195 370 E C 1.884 178.466 176.600 -0.030 0.000 0.992 370 E CA 1.718 58.058 56.400 -0.101 0.000 0.804 370 E CB -0.956 28.742 29.700 -0.003 0.000 0.741 370 E HN 0.498 nan 8.360 nan 0.000 0.458 371 Q N -0.765 118.984 119.800 -0.086 0.000 2.079 371 Q HA -0.099 4.241 4.340 0.000 0.000 0.200 371 Q C 2.234 178.250 176.000 0.027 0.000 0.974 371 Q CA 1.483 57.276 55.803 -0.018 0.000 0.840 371 Q CB -0.106 28.600 28.738 -0.054 0.000 0.898 371 Q HN 0.533 nan 8.270 nan 0.000 0.430 372 I N 0.266 120.779 120.570 -0.094 0.000 2.226 372 I HA -0.248 3.922 4.170 0.000 0.000 0.245 372 I C 2.076 178.272 176.117 0.132 0.000 1.100 372 I CA 1.471 62.747 61.300 -0.041 0.000 1.374 372 I CB -1.339 36.566 38.000 -0.157 0.000 1.057 372 I HN 0.307 nan 8.210 nan 0.000 0.413 373 F N -0.243 119.742 119.950 0.059 0.000 2.134 373 F HA -0.310 4.218 4.527 0.001 0.000 0.299 373 F C 2.754 178.592 175.800 0.063 0.000 1.097 373 F CA 1.025 59.055 58.000 0.049 0.000 1.264 373 F CB -0.709 38.318 39.000 0.045 0.000 1.001 373 F HN 0.016 nan 8.300 nan 0.000 0.479 374 Y N 1.354 121.761 120.300 0.178 0.000 2.128 374 Y HA -0.257 4.293 4.550 -0.001 0.000 0.284 374 Y C 2.162 178.106 175.900 0.072 0.000 1.154 374 Y CA 1.565 59.723 58.100 0.097 0.000 1.149 374 Y CB -0.556 37.938 38.460 0.057 0.000 0.976 374 Y HN -0.070 nan 8.280 nan 0.000 0.505 375 L N -0.098 121.242 121.223 0.194 0.000 2.046 375 L HA -0.238 4.102 4.340 0.000 0.000 0.208 375 L C 2.785 179.664 176.870 0.015 0.000 1.077 375 L CA 1.712 56.609 54.840 0.094 0.000 0.747 375 L CB -0.607 41.526 42.059 0.123 0.000 0.896 375 L HN 0.164 nan 8.230 nan 0.000 0.432 376 R N 0.251 120.786 120.500 0.058 0.000 2.091 376 R HA -0.196 4.144 4.340 0.000 0.000 0.238 376 R C 2.489 178.776 176.300 -0.022 0.000 1.136 376 R CA 1.909 58.033 56.100 0.039 0.000 0.959 376 R CB -0.220 30.139 30.300 0.099 0.000 0.856 376 R HN 0.479 nan 8.270 nan 0.000 0.437 377 S N -0.463 115.199 115.700 -0.062 0.000 2.481 377 S HA -0.040 4.431 4.470 0.000 0.000 0.231 377 S C 1.600 176.103 174.600 -0.161 0.000 0.996 377 S CA 0.617 58.747 58.200 -0.117 0.000 0.942 377 S CB 0.036 63.151 63.200 -0.142 0.000 0.768 377 S HN 0.236 nan 8.310 nan 0.000 0.520 378 R N 0.655 121.040 120.500 -0.192 0.000 2.359 378 R HA 0.399 4.739 4.340 0.000 0.000 0.231 378 R C 1.349 177.602 176.300 -0.078 0.000 0.913 378 R CA 0.468 56.467 56.100 -0.168 0.000 1.075 378 R CB 0.090 30.255 30.300 -0.227 0.000 1.087 378 R HN 0.572 nan 8.270 nan 0.000 0.515 379 G N 0.226 108.994 108.800 -0.054 0.000 2.134 379 G HA2 -0.219 3.742 3.960 0.000 0.000 0.209 379 G HA3 -0.219 3.742 3.960 0.000 0.000 0.209 379 G C -0.060 174.835 174.900 -0.008 0.000 0.993 379 G CA -0.322 44.762 45.100 -0.027 0.000 0.669 379 G HN 0.230 nan 8.290 nan 0.000 0.519 380 I N 1.980 122.550 120.570 -0.000 0.000 2.355 380 I HA 0.254 4.424 4.170 0.000 0.000 0.288 380 I C 0.479 176.612 176.117 0.027 0.000 0.999 380 I CA -1.112 60.199 61.300 0.018 0.000 1.163 380 I CB 1.189 39.208 38.000 0.032 0.000 1.316 380 I HN 0.350 nan 8.210 nan 0.000 0.454 381 N N 4.997 123.712 118.700 0.025 0.000 2.354 381 N HA -0.016 4.724 4.740 0.000 0.000 0.246 381 N C 0.723 176.255 175.510 0.037 0.000 1.285 381 N CA -0.277 52.791 53.050 0.029 0.000 0.925 381 N CB 0.557 39.057 38.487 0.022 0.000 1.174 381 N HN 0.636 nan 8.380 nan 0.000 0.478 382 Q N -0.638 119.186 119.800 0.040 0.000 2.045 382 Q HA -0.359 3.981 4.340 0.000 0.000 0.206 382 Q C 1.840 177.854 176.000 0.022 0.000 0.991 382 Q CA 1.924 57.750 55.803 0.038 0.000 0.851 382 Q CB -0.170 28.593 28.738 0.041 0.000 0.911 382 Q HN 0.828 nan 8.270 nan 0.000 0.418 383 Q N -0.209 119.602 119.800 0.019 0.000 2.061 383 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 383 Q C 1.429 177.441 176.000 0.021 0.000 0.984 383 Q CA 1.973 57.783 55.803 0.013 0.000 0.846 383 Q CB -0.013 28.733 28.738 0.013 0.000 0.902 383 Q HN 0.466 nan 8.270 nan 0.000 0.421 384 D N 0.109 120.527 120.400 0.030 0.000 2.144 384 D HA -0.128 4.512 4.640 0.000 0.000 0.199 384 D C 1.726 178.054 176.300 0.046 0.000 0.984 384 D CA 1.268 55.294 54.000 0.042 0.000 0.834 384 D CB -0.277 40.546 40.800 0.038 0.000 0.955 384 D HN 0.425 nan 8.370 nan 0.000 0.465 385 A N 0.936 123.779 122.820 0.038 0.000 1.877 385 A HA -0.238 4.082 4.320 0.000 0.000 0.216 385 A C 2.160 179.758 177.584 0.023 0.000 1.186 385 A CA 1.474 53.534 52.037 0.039 0.000 0.620 385 A CB -0.641 18.383 19.000 0.040 0.000 0.822 385 A HN 0.202 nan 8.150 nan 0.000 0.443 386 Q N -0.717 119.085 119.800 0.004 0.000 2.050 386 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 386 Q C 2.384 178.369 176.000 -0.026 0.000 0.980 386 Q CA 1.691 57.480 55.803 -0.024 0.000 0.840 386 Q CB -0.231 28.484 28.738 -0.039 0.000 0.898 386 Q HN 0.742 nan 8.270 nan 0.000 0.424 387 Q N 0.064 119.863 119.800 -0.002 0.000 2.084 387 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 387 Q C 2.138 178.207 176.000 0.115 0.000 0.978 387 Q CA 1.368 57.175 55.803 0.006 0.000 0.844 387 Q CB -0.129 28.659 28.738 0.083 0.000 0.898 387 Q HN 0.454 nan 8.270 nan 0.000 0.426 388 M N 0.021 119.701 119.600 0.133 0.000 2.080 388 M HA -0.202 4.278 4.480 0.000 0.000 0.260 388 M C 2.152 178.529 176.300 0.129 0.000 1.068 388 M CA 1.537 56.929 55.300 0.153 0.000 1.109 388 M CB -0.319 32.340 32.600 0.098 0.000 1.342 388 M HN 0.188 nan 8.290 nan 0.000 0.405 389 I N -0.040 120.571 120.570 0.069 0.000 2.252 389 I HA -0.269 3.901 4.170 0.000 0.000 0.245 389 I C 2.203 178.358 176.117 0.063 0.000 1.102 389 I CA 1.269 62.599 61.300 0.051 0.000 1.385 389 I CB -0.310 37.691 38.000 0.001 0.000 1.064 389 I HN 0.250 nan 8.210 nan 0.000 0.414 390 I N -0.529 120.043 120.570 0.003 0.000 2.252 390 I HA -0.295 3.875 4.170 0.000 0.000 0.245 390 I C 2.343 178.492 176.117 0.054 0.000 1.102 390 I CA 1.592 62.877 61.300 -0.024 0.000 1.385 390 I CB -0.441 37.464 38.000 -0.158 0.000 1.064 390 I HN 0.134 nan 8.210 nan 0.000 0.414 391 Y N 0.719 121.063 120.300 0.073 0.000 2.224 391 Y HA -0.269 4.272 4.550 -0.016 0.000 0.289 391 Y C 2.666 178.610 175.900 0.074 0.000 1.146 391 Y CA 0.965 59.104 58.100 0.065 0.000 1.182 391 Y CB -0.282 38.198 38.460 0.033 0.000 0.983 391 Y HN 0.151 nan 8.280 nan 0.000 0.524 392 A N -0.414 122.546 122.820 0.234 0.000 1.930 392 A HA -0.221 4.099 4.320 0.000 0.000 0.217 392 A C 1.973 179.652 177.584 0.159 0.000 1.175 392 A CA 1.333 53.464 52.037 0.158 0.000 0.627 392 A CB -1.128 17.947 19.000 0.124 0.000 0.815 392 A HN 0.551 nan 8.150 nan 0.000 0.443 393 F N 0.791 120.760 119.950 0.032 0.000 2.186 393 F HA 0.019 4.545 4.527 -0.003 0.000 0.299 393 F C 2.307 178.120 175.800 0.022 0.000 1.090 393 F CA 1.190 59.195 58.000 0.009 0.000 1.307 393 F CB -0.129 38.862 39.000 -0.014 0.000 1.019 393 F HN 0.218 nan 8.300 nan 0.000 0.489 394 A N -0.285 122.608 122.820 0.122 0.000 2.178 394 A HA 0.297 4.617 4.320 0.000 0.000 0.211 394 A C 2.254 179.872 177.584 0.058 0.000 1.157 394 A CA 0.780 52.856 52.037 0.064 0.000 0.780 394 A CB -1.165 17.941 19.000 0.176 0.000 0.828 394 A HN 0.405 nan 8.150 nan 0.000 0.476 395 A N 0.477 123.334 122.820 0.061 0.000 1.917 395 A HA -0.250 4.071 4.320 0.000 0.000 0.219 395 A C 1.932 179.521 177.584 0.009 0.000 1.182 395 A CA 1.904 53.970 52.037 0.047 0.000 0.633 395 A CB -0.549 18.476 19.000 0.041 0.000 0.819 395 A HN 0.648 nan 8.150 nan 0.000 0.448 396 E N -0.344 119.834 120.200 -0.036 0.000 2.160 396 E HA -0.167 4.184 4.350 0.000 0.000 0.195 396 E C 1.818 178.407 176.600 -0.019 0.000 0.991 396 E CA 1.149 57.523 56.400 -0.044 0.000 0.810 396 E CB -0.176 29.473 29.700 -0.085 0.000 0.742 396 E HN 0.685 nan 8.360 nan 0.000 0.466 397 L N -0.066 121.155 121.223 -0.003 0.000 2.102 397 L HA -0.059 4.281 4.340 0.000 0.000 0.202 397 L C 2.819 179.802 176.870 0.188 0.000 1.076 397 L CA 1.448 56.322 54.840 0.056 0.000 0.761 397 L CB -0.626 41.443 42.059 0.017 0.000 0.921 397 L HN 0.284 nan 8.230 nan 0.000 0.444 398 T N -3.685 110.986 114.554 0.194 0.000 2.951 398 T HA -0.089 4.262 4.350 0.000 0.000 0.268 398 T C 1.595 176.302 174.700 0.012 0.000 1.073 398 T CA 0.598 62.779 62.100 0.134 0.000 1.134 398 T CB -0.176 68.740 68.868 0.080 0.000 0.884 398 T HN 0.152 nan 8.240 nan 0.000 0.479 399 E N 1.449 121.649 120.200 -0.000 0.000 2.409 399 E HA 0.143 4.493 4.350 0.000 0.000 0.198 399 E C 2.292 178.849 176.600 -0.070 0.000 1.024 399 E CA 0.765 57.142 56.400 -0.038 0.000 0.861 399 E CB -0.391 29.293 29.700 -0.028 0.000 0.788 399 E HN 0.743 nan 8.360 nan 0.000 0.521 400 A N 0.722 123.483 122.820 -0.099 0.000 2.066 400 A HA -0.035 4.285 4.320 0.000 0.000 0.218 400 A C 1.318 178.744 177.584 -0.264 0.000 1.157 400 A CA 0.218 52.119 52.037 -0.226 0.000 0.670 400 A CB -0.290 18.416 19.000 -0.490 0.000 0.804 400 A HN 0.136 nan 8.150 nan 0.000 0.453 401 L N 1.100 122.214 121.223 -0.182 0.000 2.385 401 L HA 0.131 4.471 4.340 0.000 0.000 0.281 401 L C 1.354 178.152 176.870 -0.121 0.000 1.106 401 L CA -0.884 53.864 54.840 -0.155 0.000 0.856 401 L CB 0.411 42.375 42.059 -0.159 0.000 1.186 401 L HN 0.285 nan 8.230 nan 0.000 0.453 402 R N 1.177 121.611 120.500 -0.109 0.000 2.070 402 R HA -0.096 4.244 4.340 0.000 0.000 0.233 402 R C 0.573 176.828 176.300 -0.075 0.000 1.137 402 R CA 0.836 56.882 56.100 -0.089 0.000 0.945 402 R CB -0.446 29.806 30.300 -0.080 0.000 0.845 402 R HN 0.652 nan 8.270 nan 0.000 0.430 403 D N 1.752 122.108 120.400 -0.072 0.000 2.382 403 D HA -0.069 4.571 4.640 0.000 0.000 0.259 403 D C 0.871 177.127 176.300 -0.074 0.000 1.224 403 D CA 0.212 54.173 54.000 -0.065 0.000 0.894 403 D CB 1.153 41.916 40.800 -0.062 0.000 1.127 403 D HN 0.035 nan 8.370 nan 0.000 0.487 404 E N 3.078 123.239 120.200 -0.065 0.000 2.110 404 E HA -0.106 4.244 4.350 0.000 0.000 0.193 404 E C 1.934 178.492 176.600 -0.069 0.000 0.988 404 E CA 1.625 57.984 56.400 -0.068 0.000 0.804 404 E CB -0.428 29.238 29.700 -0.058 0.000 0.745 404 E HN 0.676 nan 8.360 nan 0.000 0.458 405 G N 0.655 109.418 108.800 -0.061 0.000 2.440 405 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 405 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 405 G C 1.499 176.357 174.900 -0.069 0.000 1.154 405 G CA 0.972 46.037 45.100 -0.058 0.000 0.767 405 G HN 0.364 nan 8.290 nan 0.000 0.552 406 L N 0.765 121.939 121.223 -0.082 0.000 2.093 406 L HA 0.127 4.468 4.340 0.000 0.000 0.208 406 L C 2.606 179.402 176.870 -0.123 0.000 1.085 406 L CA 2.317 57.095 54.840 -0.103 0.000 0.755 406 L CB -0.505 41.487 42.059 -0.113 0.000 0.904 406 L HN 0.243 nan 8.230 nan 0.000 0.435 407 K N -1.153 119.172 120.400 -0.125 0.000 2.063 407 K HA -0.212 4.108 4.320 0.000 0.000 0.208 407 K C 2.017 178.544 176.600 -0.122 0.000 1.048 407 K CA 1.504 57.704 56.287 -0.144 0.000 0.928 407 K CB -0.062 32.365 32.500 -0.122 0.000 0.713 407 K HN 0.407 nan 8.250 nan 0.000 0.442 408 Q N 0.700 120.442 119.800 -0.096 0.000 2.124 408 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 408 Q C 2.086 178.048 176.000 -0.064 0.000 0.977 408 Q CA 1.576 57.329 55.803 -0.082 0.000 0.850 408 Q CB -0.194 28.502 28.738 -0.070 0.000 0.901 408 Q HN 0.524 nan 8.270 nan 0.000 0.429 409 Q N -0.258 119.510 119.800 -0.055 0.000 2.119 409 Q HA -0.082 4.258 4.340 0.000 0.000 0.201 409 Q C 2.231 178.226 176.000 -0.008 0.000 0.972 409 Q CA 1.240 57.031 55.803 -0.021 0.000 0.847 409 Q CB 0.054 28.786 28.738 -0.010 0.000 0.903 409 Q HN 0.151 nan 8.270 nan 0.000 0.433 410 V N 0.935 120.820 119.914 -0.049 0.000 2.358 410 V HA -0.231 3.889 4.120 0.000 0.000 0.246 410 V C 2.099 178.147 176.094 -0.077 0.000 1.047 410 V CA 1.409 63.665 62.300 -0.074 0.000 1.035 410 V CB -0.434 31.193 31.823 -0.326 0.000 0.658 410 V HN 0.342 nan 8.190 nan 0.000 0.452 411 L N 0.170 121.362 121.223 -0.052 0.000 2.131 411 L HA -0.134 4.206 4.340 0.000 0.000 0.210 411 L C 2.694 179.612 176.870 0.079 0.000 1.092 411 L CA 1.408 56.276 54.840 0.046 0.000 0.759 411 L CB -0.746 41.282 42.059 -0.051 0.000 0.903 411 L HN 0.355 nan 8.230 nan 0.000 0.435 412 A N 0.184 123.004 122.820 0.001 0.000 1.898 412 A HA -0.237 4.083 4.320 0.000 0.000 0.216 412 A C 2.361 179.918 177.584 -0.045 0.000 1.181 412 A CA 1.741 53.777 52.037 -0.001 0.000 0.620 412 A CB -0.430 18.560 19.000 -0.017 0.000 0.819 412 A HN 0.289 nan 8.150 nan 0.000 0.442 413 R N 0.163 120.581 120.500 -0.137 0.000 2.075 413 R HA 0.011 4.351 4.340 0.000 0.000 0.232 413 R C 1.775 177.956 176.300 -0.199 0.000 1.126 413 R CA 1.656 57.575 56.100 -0.302 0.000 0.963 413 R CB -0.710 29.118 30.300 -0.787 0.000 0.858 413 R HN 0.542 nan 8.270 nan 0.000 0.435 414 I N -0.099 120.413 120.570 -0.097 0.000 2.163 414 I HA -0.206 3.964 4.170 0.000 0.000 0.243 414 I C 2.251 178.333 176.117 -0.059 0.000 1.085 414 I CA 1.674 62.953 61.300 -0.036 0.000 1.347 414 I CB -0.707 37.335 38.000 0.069 0.000 1.044 414 I HN 0.461 nan 8.210 nan 0.000 0.408 415 G N -0.128 108.689 108.800 0.028 0.000 2.475 415 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 415 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 415 G C 1.522 176.410 174.900 -0.021 0.000 1.125 415 G CA 0.470 45.593 45.100 0.039 0.000 0.755 415 G HN 0.453 nan 8.290 nan 0.000 0.565 416 Q N -0.493 119.283 119.800 -0.040 0.000 2.291 416 Q HA 0.008 4.348 4.340 0.000 0.000 0.206 416 Q C 2.351 178.321 176.000 -0.050 0.000 0.976 416 Q CA 0.695 56.472 55.803 -0.044 0.000 0.875 416 Q CB 0.001 28.703 28.738 -0.060 0.000 0.927 416 Q HN 0.407 nan 8.270 nan 0.000 0.450 417 R N -0.358 120.101 120.500 -0.068 0.000 2.334 417 R HA 0.211 4.551 4.340 0.000 0.000 0.216 417 R C 0.044 176.296 176.300 -0.080 0.000 0.905 417 R CA -0.140 55.920 56.100 -0.066 0.000 1.064 417 R CB 0.433 30.694 30.300 -0.065 0.000 1.046 417 R HN 0.103 nan 8.270 nan 0.000 0.508 418 L N 1.590 122.754 121.223 -0.098 0.000 2.421 418 L HA 0.346 4.686 4.340 0.000 0.000 0.263 418 L C -2.068 174.760 176.870 -0.069 0.000 1.122 418 L CA -2.414 52.358 54.840 -0.114 0.000 0.804 418 L CB 0.338 42.293 42.059 -0.173 0.000 1.150 418 L HN -0.288 nan 8.230 nan 0.000 0.457 419 P HA 0.009 nan 4.420 nan 0.000 0.260 419 P C 0.573 177.858 177.300 -0.024 0.000 1.185 419 P CA 0.738 63.815 63.100 -0.039 0.000 0.763 419 P CB 0.349 32.026 31.700 -0.038 0.000 0.776 420 G N 2.397 111.187 108.800 -0.016 0.000 2.160 420 G HA2 -0.129 3.831 3.960 0.000 0.000 0.244 420 G HA3 -0.129 3.831 3.960 0.000 0.000 0.244 420 G C 0.569 175.468 174.900 -0.003 0.000 1.022 420 G CA -0.259 44.838 45.100 -0.005 0.000 0.741 420 G HN 0.858 nan 8.290 nan 0.000 0.508 421 G N 0.000 108.793 108.800 -0.011 0.000 5.446 421 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 421 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925