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 1x74_1_C DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.544 177.584 -0.066 0.000 1.274 2 A CA 0.000 52.010 52.037 -0.046 0.000 0.836 2 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 3 G N 0.538 109.284 108.800 -0.090 0.000 2.588 3 G HA2 0.453 4.413 3.960 -0.000 0.000 0.278 3 G HA3 0.453 4.413 3.960 -0.000 0.000 0.278 3 G C -0.738 174.013 174.900 -0.248 0.000 1.307 3 G CA -0.277 44.726 45.100 -0.163 0.000 1.016 3 G HN 0.027 nan 8.290 nan 0.000 0.503 4 P HA -0.017 nan 4.420 nan 0.000 0.226 4 P C 1.318 178.462 177.300 -0.261 0.000 1.153 4 P CA 0.808 63.654 63.100 -0.424 0.000 0.777 4 P CB 0.203 31.439 31.700 -0.774 0.000 0.794 5 L N -0.702 120.385 121.223 -0.226 0.000 2.629 5 L HA 0.152 4.492 4.340 -0.000 0.000 0.230 5 L C 1.193 178.004 176.870 -0.098 0.000 1.151 5 L CA -0.224 54.533 54.840 -0.137 0.000 0.924 5 L CB -0.411 41.581 42.059 -0.112 0.000 1.137 5 L HN -0.081 nan 8.230 nan 0.000 0.457 6 S N 0.437 116.077 115.700 -0.100 0.000 2.575 6 S HA 0.221 4.691 4.470 -0.000 0.000 0.295 6 S C 1.325 175.887 174.600 -0.063 0.000 1.267 6 S CA 1.026 59.186 58.200 -0.068 0.000 1.074 6 S CB 0.373 63.535 63.200 -0.064 0.000 0.829 6 S HN 0.695 nan 8.310 nan 0.000 0.497 7 G N 3.118 111.887 108.800 -0.052 0.000 2.254 7 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.225 7 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.225 7 G C -0.031 174.810 174.900 -0.099 0.000 1.003 7 G CA 0.055 45.114 45.100 -0.069 0.000 0.622 7 G HN 0.974 nan 8.290 nan 0.000 0.507 8 L N 2.377 123.549 121.223 -0.085 0.000 2.360 8 L HA 0.666 5.006 4.340 -0.000 0.000 0.276 8 L C 0.683 177.489 176.870 -0.107 0.000 1.121 8 L CA -0.255 54.526 54.840 -0.099 0.000 0.845 8 L CB 0.390 42.407 42.059 -0.070 0.000 1.143 8 L HN 0.267 nan 8.230 nan 0.000 0.452 9 R N 4.106 124.482 120.500 -0.206 0.000 2.294 9 R HA 0.671 5.011 4.340 -0.000 0.000 0.319 9 R C -1.325 174.900 176.300 -0.125 0.000 0.984 9 R CA -0.713 55.217 56.100 -0.283 0.000 0.861 9 R CB 1.638 31.392 30.300 -0.908 0.000 1.104 9 R HN 0.458 nan 8.270 nan 0.000 0.451 10 V N 3.855 123.827 119.914 0.096 0.000 2.577 10 V HA 0.326 4.446 4.120 -0.000 0.000 0.303 10 V C -0.434 175.788 176.094 0.214 0.000 1.042 10 V CA -0.884 61.476 62.300 0.100 0.000 0.872 10 V CB 2.214 34.071 31.823 0.056 0.000 0.998 10 V HN 0.439 nan 8.190 nan 0.000 0.423 11 V N 3.974 123.977 119.914 0.148 0.000 2.398 11 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 11 V C -0.032 176.077 176.094 0.025 0.000 1.026 11 V CA -0.449 61.924 62.300 0.122 0.000 0.868 11 V CB 1.671 33.571 31.823 0.129 0.000 0.982 11 V HN 0.961 nan 8.190 nan 0.000 0.443 12 E N 5.186 125.395 120.200 0.015 0.000 2.165 12 E HA 0.467 4.817 4.350 -0.000 0.000 0.266 12 E C -1.338 175.249 176.600 -0.022 0.000 0.889 12 E CA -0.681 55.707 56.400 -0.019 0.000 0.756 12 E CB 1.377 31.074 29.700 -0.005 0.000 1.131 12 E HN 0.638 nan 8.360 nan 0.000 0.411 13 L N 3.758 124.946 121.223 -0.058 0.000 2.278 13 L HA 0.389 4.729 4.340 -0.000 0.000 0.287 13 L C 0.533 177.372 176.870 -0.052 0.000 1.072 13 L CA -0.712 54.115 54.840 -0.021 0.000 0.819 13 L CB 1.091 43.150 42.059 -0.000 0.000 1.176 13 L HN 0.633 nan 8.230 nan 0.000 0.435 14 A N 3.313 126.154 122.820 0.035 0.000 2.566 14 A HA 0.463 4.783 4.320 -0.000 0.000 0.245 14 A C 0.677 178.287 177.584 0.044 0.000 1.056 14 A CA 0.846 52.907 52.037 0.041 0.000 0.757 14 A CB -0.077 18.964 19.000 0.068 0.000 0.979 14 A HN 0.903 nan 8.150 nan 0.000 0.508 15 G N 0.516 109.322 108.800 0.009 0.000 2.846 15 G HA2 0.596 4.556 3.960 -0.000 0.000 0.299 15 G HA3 0.596 4.556 3.960 -0.000 0.000 0.299 15 G C -1.201 173.730 174.900 0.052 0.000 1.242 15 G CA -0.657 44.454 45.100 0.018 0.000 0.800 15 G HN 0.718 nan 8.290 nan 0.000 0.538 16 I N 0.249 120.855 120.570 0.060 0.000 2.533 16 I HA 0.608 4.778 4.170 -0.000 0.000 0.290 16 I C 0.853 177.028 176.117 0.097 0.000 1.056 16 I CA 0.698 62.052 61.300 0.090 0.000 1.057 16 I CB 1.942 40.005 38.000 0.105 0.000 1.240 16 I HN 1.337 nan 8.210 nan 0.000 0.423 17 G N 6.758 115.645 108.800 0.145 0.000 2.652 17 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.278 17 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.278 17 G C -1.922 173.132 174.900 0.256 0.000 1.263 17 G CA 0.183 45.387 45.100 0.173 0.000 0.966 17 G HN 0.442 nan 8.290 nan 0.000 0.544 18 P HA 0.021 nan 4.420 nan 0.000 0.216 18 P C 2.092 179.512 177.300 0.200 0.000 1.153 18 P CA 2.743 65.960 63.100 0.195 0.000 0.844 18 P CB -0.749 30.972 31.700 0.035 0.000 0.787 19 G N 1.609 110.466 108.800 0.094 0.000 2.491 19 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 19 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 19 G C -0.610 174.336 174.900 0.077 0.000 1.180 19 G CA 1.299 46.428 45.100 0.048 0.000 0.774 19 G HN 0.294 nan 8.290 nan 0.000 0.562 20 P HA -0.089 nan 4.420 nan 0.000 0.220 20 P C 1.150 178.528 177.300 0.129 0.000 1.148 20 P CA 1.481 64.638 63.100 0.096 0.000 0.803 20 P CB -0.096 31.663 31.700 0.098 0.000 0.782 21 H N 0.633 119.767 119.070 0.105 0.000 2.363 21 H HA 0.088 4.644 4.556 -0.000 0.000 0.301 21 H C 1.967 177.328 175.328 0.055 0.000 1.074 21 H CA 1.872 57.962 56.048 0.070 0.000 1.354 21 H CB -0.555 29.290 29.762 0.137 0.000 1.397 21 H HN -0.017 nan 8.280 nan 0.000 0.516 22 A N 0.882 123.760 122.820 0.096 0.000 1.902 22 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 22 A C 2.587 180.153 177.584 -0.030 0.000 1.181 22 A CA 1.680 53.726 52.037 0.015 0.000 0.623 22 A CB -1.360 17.681 19.000 0.067 0.000 0.818 22 A HN 0.602 nan 8.150 nan 0.000 0.443 23 A N -0.640 122.177 122.820 -0.005 0.000 1.933 23 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 23 A C 2.269 179.835 177.584 -0.030 0.000 1.175 23 A CA 1.896 53.927 52.037 -0.011 0.000 0.628 23 A CB -0.555 18.447 19.000 0.004 0.000 0.814 23 A HN 0.635 nan 8.150 nan 0.000 0.444 24 M N -0.443 119.127 119.600 -0.051 0.000 2.086 24 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 24 M C 1.960 178.202 176.300 -0.096 0.000 1.067 24 M CA 1.998 57.257 55.300 -0.068 0.000 1.116 24 M CB -0.326 32.223 32.600 -0.085 0.000 1.348 24 M HN 0.423 nan 8.290 nan 0.000 0.407 25 I N 0.470 120.942 120.570 -0.162 0.000 2.286 25 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 25 I C 2.250 178.328 176.117 -0.065 0.000 1.115 25 I CA 1.043 62.264 61.300 -0.132 0.000 1.392 25 I CB -0.415 37.478 38.000 -0.179 0.000 1.065 25 I HN 0.372 nan 8.210 nan 0.000 0.418 26 L N 0.359 121.550 121.223 -0.053 0.000 2.012 26 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 26 L C 2.717 179.568 176.870 -0.031 0.000 1.073 26 L CA 1.806 56.625 54.840 -0.035 0.000 0.748 26 L CB -1.321 40.724 42.059 -0.023 0.000 0.891 26 L HN 0.332 nan 8.230 nan 0.000 0.431 27 G N -0.581 108.204 108.800 -0.025 0.000 2.418 27 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 27 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 27 G C 1.128 176.011 174.900 -0.028 0.000 1.158 27 G CA 0.888 45.977 45.100 -0.018 0.000 0.771 27 G HN 0.293 nan 8.290 nan 0.000 0.545 28 D N 0.550 120.930 120.400 -0.033 0.000 2.133 28 D HA -0.082 4.558 4.640 -0.000 0.000 0.195 28 D C 2.356 178.641 176.300 -0.026 0.000 0.997 28 D CA 0.617 54.600 54.000 -0.030 0.000 0.840 28 D CB -0.246 40.538 40.800 -0.026 0.000 0.947 28 D HN 0.275 nan 8.370 nan 0.000 0.452 29 L N -1.013 120.192 121.223 -0.030 0.000 2.599 29 L HA 0.187 4.527 4.340 -0.000 0.000 0.230 29 L C 1.438 178.245 176.870 -0.106 0.000 1.141 29 L CA 0.566 55.368 54.840 -0.064 0.000 0.877 29 L CB -0.053 41.965 42.059 -0.069 0.000 1.009 29 L HN 0.204 nan 8.230 nan 0.000 0.447 30 G N -0.450 108.309 108.800 -0.068 0.000 2.192 30 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.193 30 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.193 30 G C 0.452 175.327 174.900 -0.042 0.000 0.999 30 G CA -0.127 44.935 45.100 -0.062 0.000 0.659 30 G HN 0.437 nan 8.290 nan 0.000 0.503 31 A N 0.186 122.985 122.820 -0.037 0.000 2.448 31 A HA 0.478 4.798 4.320 -0.000 0.000 0.239 31 A C 0.304 177.904 177.584 0.027 0.000 1.080 31 A CA 0.775 52.804 52.037 -0.014 0.000 0.779 31 A CB 0.324 19.316 19.000 -0.014 0.000 1.026 31 A HN 0.392 nan 8.150 nan 0.000 0.499 32 D N 1.537 121.978 120.400 0.069 0.000 2.441 32 D HA 0.382 5.022 4.640 -0.000 0.000 0.221 32 D C -0.901 175.537 176.300 0.229 0.000 1.156 32 D CA 0.049 54.149 54.000 0.166 0.000 0.896 32 D CB 0.307 41.258 40.800 0.251 0.000 1.028 32 D HN 0.096 nan 8.370 nan 0.000 0.509 33 V N 4.201 124.200 119.914 0.142 0.000 2.370 33 V HA 0.322 4.442 4.120 -0.000 0.000 0.283 33 V C 0.225 176.369 176.094 0.083 0.000 1.023 33 V CA -0.831 61.540 62.300 0.119 0.000 0.857 33 V CB 1.777 33.632 31.823 0.054 0.000 0.985 33 V HN 0.264 nan 8.190 nan 0.000 0.443 34 V N 5.965 125.932 119.914 0.088 0.000 2.357 34 V HA 0.471 4.591 4.120 -0.000 0.000 0.284 34 V C 0.180 176.266 176.094 -0.013 0.000 1.018 34 V CA -0.685 61.592 62.300 -0.038 0.000 0.841 34 V CB 1.502 33.184 31.823 -0.233 0.000 0.991 34 V HN 0.867 nan 8.190 nan 0.000 0.437 35 R N 5.502 125.989 120.500 -0.022 0.000 2.229 35 R HA 0.574 4.914 4.340 -0.000 0.000 0.328 35 R C -0.847 175.445 176.300 -0.012 0.000 1.009 35 R CA -0.533 55.563 56.100 -0.007 0.000 0.864 35 R CB 0.759 31.059 30.300 0.000 0.000 1.085 35 R HN 0.697 nan 8.270 nan 0.000 0.453 36 I N 4.198 124.770 120.570 0.002 0.000 2.312 36 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 36 I C 0.121 176.257 176.117 0.032 0.000 1.031 36 I CA -0.234 61.072 61.300 0.010 0.000 1.293 36 I CB 1.103 39.117 38.000 0.022 0.000 1.403 36 I HN 0.559 nan 8.210 nan 0.000 0.484 37 D N 5.645 126.060 120.400 0.025 0.000 2.414 37 D HA 0.418 5.058 4.640 -0.000 0.000 0.241 37 D C -0.135 176.185 176.300 0.033 0.000 1.008 37 D CA -0.687 53.336 54.000 0.038 0.000 1.001 37 D CB 1.625 42.442 40.800 0.028 0.000 1.277 37 D HN 0.331 nan 8.370 nan 0.000 0.538 38 R N 1.048 121.570 120.500 0.037 0.000 2.738 38 R HA 0.301 4.641 4.340 -0.000 0.000 0.268 38 R C -1.555 174.754 176.300 0.016 0.000 1.062 38 R CA -0.947 55.168 56.100 0.025 0.000 1.158 38 R CB -0.341 29.974 30.300 0.025 0.000 1.046 38 R HN 0.332 nan 8.270 nan 0.000 0.493 46 S N 5.491 121.193 115.700 0.003 0.000 2.564 46 S HA 0.380 4.850 4.470 -0.000 0.000 0.278 46 S C 0.863 175.465 174.600 0.004 0.000 1.333 46 S CA -0.120 58.083 58.200 0.006 0.000 1.048 46 S CB 0.654 63.861 63.200 0.011 0.000 0.900 46 S HN 0.676 nan 8.310 nan 0.000 0.505 47 R N 1.737 122.239 120.500 0.003 0.000 2.466 47 R HA 0.151 4.491 4.340 -0.000 0.000 0.279 47 R C -0.575 175.726 176.300 0.001 0.000 0.976 47 R CA -0.211 55.888 56.100 -0.001 0.000 1.081 47 R CB 0.027 30.323 30.300 -0.007 0.000 1.215 47 R HN 0.510 nan 8.270 nan 0.000 0.546 48 D N 0.735 121.140 120.400 0.009 0.000 2.393 48 D HA 0.143 4.783 4.640 -0.000 0.000 0.232 48 D C 0.921 177.233 176.300 0.019 0.000 1.192 48 D CA -0.232 53.777 54.000 0.015 0.000 0.882 48 D CB 1.320 42.135 40.800 0.024 0.000 1.038 48 D HN 0.144 nan 8.370 nan 0.000 0.499 49 A N 4.598 127.427 122.820 0.015 0.000 2.070 49 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 49 A C 2.049 179.658 177.584 0.043 0.000 1.159 49 A CA 0.920 52.974 52.037 0.028 0.000 0.656 49 A CB -0.530 18.477 19.000 0.012 0.000 0.800 49 A HN 0.734 nan 8.150 nan 0.000 0.453 50 M N -0.554 119.068 119.600 0.037 0.000 2.279 50 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 50 M C 0.673 176.998 176.300 0.040 0.000 1.062 50 M CA 1.287 56.614 55.300 0.045 0.000 1.099 50 M CB -0.185 32.452 32.600 0.061 0.000 1.394 50 M HN 0.369 nan 8.290 nan 0.000 0.426 51 L N 1.638 122.883 121.223 0.036 0.000 2.682 51 L HA 0.099 4.439 4.340 -0.000 0.000 0.240 51 L C 0.902 177.787 176.870 0.025 0.000 1.178 51 L CA -0.422 54.435 54.840 0.029 0.000 0.970 51 L CB -1.058 41.017 42.059 0.025 0.000 1.179 51 L HN 0.330 nan 8.230 nan 0.000 0.435 52 R N -0.543 119.978 120.500 0.035 0.000 2.774 52 R HA 0.036 4.376 4.340 -0.000 0.000 0.269 52 R C -0.015 176.294 176.300 0.016 0.000 1.068 52 R CA -0.472 55.649 56.100 0.036 0.000 1.180 52 R CB 0.055 30.396 30.300 0.068 0.000 1.077 52 R HN 0.105 nan 8.270 nan 0.000 0.513 53 N N 0.433 119.137 118.700 0.006 0.000 2.738 53 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 53 N C -1.206 174.305 175.510 0.002 0.000 1.047 53 N CA 1.114 54.162 53.050 -0.004 0.000 0.707 53 N CB -0.512 37.968 38.487 -0.012 0.000 0.937 53 N HN 0.577 nan 8.380 nan 0.000 0.545 54 R N 0.137 120.638 120.500 0.001 0.000 2.867 54 R HA 0.517 4.857 4.340 -0.000 0.000 0.268 54 R C 0.358 176.651 176.300 -0.013 0.000 1.014 54 R CA -0.659 55.441 56.100 -0.000 0.000 0.946 54 R CB 1.519 31.819 30.300 -0.000 0.000 1.208 54 R HN 0.087 nan 8.270 nan 0.000 0.477 55 R N 0.999 121.483 120.500 -0.027 0.000 2.460 55 R HA 0.534 4.874 4.340 -0.000 0.000 0.303 55 R C -0.166 176.102 176.300 -0.054 0.000 0.968 55 R CA -0.764 55.305 56.100 -0.052 0.000 0.889 55 R CB 1.366 31.610 30.300 -0.092 0.000 1.123 55 R HN 0.362 nan 8.270 nan 0.000 0.455 56 I N 4.606 125.148 120.570 -0.046 0.000 2.336 56 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 56 I C 0.470 176.556 176.117 -0.051 0.000 0.991 56 I CA -0.625 60.652 61.300 -0.038 0.000 1.227 56 I CB 1.307 39.295 38.000 -0.020 0.000 1.366 56 I HN 0.389 nan 8.210 nan 0.000 0.466 57 V N 2.872 122.754 119.914 -0.054 0.000 3.113 57 V HA 0.761 4.881 4.120 -0.000 0.000 0.316 57 V C -0.249 175.826 176.094 -0.031 0.000 1.125 57 V CA -0.466 61.801 62.300 -0.056 0.000 1.026 57 V CB 2.106 33.879 31.823 -0.085 0.000 1.080 57 V HN 0.744 nan 8.190 nan 0.000 0.444 58 T N 1.321 115.860 114.554 -0.026 0.000 2.848 58 T HA 0.858 5.208 4.350 -0.000 0.000 0.285 58 T C -0.591 174.103 174.700 -0.009 0.000 0.995 58 T CA 0.253 62.346 62.100 -0.011 0.000 0.970 58 T CB 1.218 70.081 68.868 -0.009 0.000 0.976 58 T HN 1.611 nan 8.240 nan 0.000 0.441 59 A N 2.723 125.544 122.820 0.002 0.000 2.574 59 A HA 0.623 4.943 4.320 -0.000 0.000 0.297 59 A C -1.442 176.148 177.584 0.011 0.000 1.062 59 A CA -0.777 51.263 52.037 0.004 0.000 0.686 59 A CB 1.579 20.583 19.000 0.006 0.000 1.285 59 A HN 0.681 nan 8.150 nan 0.000 0.403 60 D N 2.314 122.718 120.400 0.007 0.000 2.411 60 D HA 0.348 4.988 4.640 -0.000 0.000 0.225 60 D C 0.807 177.112 176.300 0.008 0.000 1.156 60 D CA -0.235 53.769 54.000 0.006 0.000 0.874 60 D CB 0.261 41.062 40.800 0.003 0.000 1.034 60 D HN 0.399 nan 8.370 nan 0.000 0.502 61 L N 2.972 124.201 121.223 0.010 0.000 2.456 61 L HA -0.067 4.272 4.340 -0.000 0.000 0.224 61 L C 1.947 178.820 176.870 0.005 0.000 1.148 61 L CA 0.746 55.595 54.840 0.015 0.000 0.825 61 L CB -0.140 41.933 42.059 0.024 0.000 0.937 61 L HN 0.329 nan 8.230 nan 0.000 0.450 62 K N -0.257 120.140 120.400 -0.004 0.000 2.361 62 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 62 K C 1.130 177.730 176.600 -0.000 0.000 1.039 62 K CA 0.195 56.477 56.287 -0.007 0.000 1.001 62 K CB 0.232 32.723 32.500 -0.015 0.000 0.795 62 K HN 0.306 nan 8.250 nan 0.000 0.495 63 S N 0.448 116.149 115.700 0.003 0.000 2.652 63 S HA 0.117 4.587 4.470 -0.000 0.000 0.270 63 S C 0.521 175.125 174.600 0.008 0.000 1.243 63 S CA -0.801 57.401 58.200 0.004 0.000 0.999 63 S CB 1.318 64.520 63.200 0.003 0.000 0.973 63 S HN -0.055 nan 8.310 nan 0.000 0.544 64 D N 0.452 120.857 120.400 0.008 0.000 2.097 64 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 64 D C 1.879 178.186 176.300 0.011 0.000 0.984 64 D CA 1.365 55.370 54.000 0.010 0.000 0.826 64 D CB -0.397 40.408 40.800 0.008 0.000 0.973 64 D HN 0.776 nan 8.370 nan 0.000 0.460 65 Q N 0.522 120.327 119.800 0.009 0.000 2.084 65 Q HA -0.103 4.236 4.340 -0.000 0.000 0.202 65 Q C 2.132 178.138 176.000 0.010 0.000 0.978 65 Q CA 1.755 57.562 55.803 0.008 0.000 0.844 65 Q CB -0.284 28.457 28.738 0.005 0.000 0.898 65 Q HN 0.259 nan 8.270 nan 0.000 0.426 66 G N 1.194 110.000 108.800 0.010 0.000 2.408 66 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 66 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 66 G C 1.345 176.257 174.900 0.019 0.000 1.150 66 G CA 0.803 45.910 45.100 0.012 0.000 0.776 66 G HN 0.378 nan 8.290 nan 0.000 0.542 67 L N 0.725 121.961 121.223 0.021 0.000 2.027 67 L HA 0.062 4.402 4.340 -0.000 0.000 0.206 67 L C 2.598 179.487 176.870 0.032 0.000 1.074 67 L CA 2.585 57.443 54.840 0.030 0.000 0.745 67 L CB -0.691 41.385 42.059 0.028 0.000 0.898 67 L HN 0.425 nan 8.230 nan 0.000 0.433 68 E N -0.600 119.616 120.200 0.026 0.000 2.118 68 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 68 E C 2.191 178.808 176.600 0.028 0.000 0.992 68 E CA 1.673 58.089 56.400 0.026 0.000 0.804 68 E CB -0.204 29.508 29.700 0.020 0.000 0.741 68 E HN 0.614 nan 8.360 nan 0.000 0.458 69 L N 0.100 121.337 121.223 0.022 0.000 2.072 69 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 69 L C 2.682 179.567 176.870 0.026 0.000 1.079 69 L CA 0.859 55.709 54.840 0.018 0.000 0.752 69 L CB -0.417 41.645 42.059 0.005 0.000 0.906 69 L HN 0.209 nan 8.230 nan 0.000 0.436 70 A N 0.148 122.987 122.820 0.031 0.000 1.908 70 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 70 A C 2.223 179.844 177.584 0.062 0.000 1.181 70 A CA 1.502 53.566 52.037 0.044 0.000 0.627 70 A CB -0.690 18.340 19.000 0.049 0.000 0.818 70 A HN 0.362 nan 8.150 nan 0.000 0.445 71 L N -1.023 120.236 121.223 0.060 0.000 2.141 71 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 71 L C 2.565 179.479 176.870 0.073 0.000 1.094 71 L CA 1.339 56.220 54.840 0.068 0.000 0.763 71 L CB -0.304 41.791 42.059 0.059 0.000 0.908 71 L HN 0.341 nan 8.230 nan 0.000 0.437 72 K N -0.267 120.172 120.400 0.065 0.000 2.097 72 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 72 K C 2.062 178.731 176.600 0.114 0.000 1.050 72 K CA 1.120 57.450 56.287 0.073 0.000 0.938 72 K CB -0.083 32.450 32.500 0.054 0.000 0.718 72 K HN 0.099 nan 8.250 nan 0.000 0.442 73 L N 1.067 122.360 121.223 0.117 0.000 2.072 73 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 73 L C 1.938 178.972 176.870 0.273 0.000 1.079 73 L CA 1.334 56.290 54.840 0.194 0.000 0.752 73 L CB -0.116 41.997 42.059 0.091 0.000 0.906 73 L HN 0.107 nan 8.230 nan 0.000 0.436 74 I N -0.770 119.899 120.570 0.166 0.000 2.315 74 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 74 I C 2.507 178.684 176.117 0.100 0.000 1.117 74 I CA 1.022 62.400 61.300 0.131 0.000 1.404 74 I CB -0.525 37.532 38.000 0.094 0.000 1.071 74 I HN 0.286 nan 8.210 nan 0.000 0.419 75 A N 0.249 123.126 122.820 0.096 0.000 2.032 75 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 75 A C 2.019 179.627 177.584 0.039 0.000 1.165 75 A CA 1.655 53.731 52.037 0.065 0.000 0.645 75 A CB -0.219 18.820 19.000 0.064 0.000 0.807 75 A HN 0.251 nan 8.150 nan 0.000 0.453 76 K N -1.059 119.378 120.400 0.062 0.000 2.387 76 K HA 0.431 4.751 4.320 -0.000 0.000 0.203 76 K C 0.307 176.743 176.600 -0.273 0.000 1.030 76 K CA 0.599 56.862 56.287 -0.039 0.000 1.099 76 K CB 0.350 32.902 32.500 0.086 0.000 0.863 76 K HN 0.420 nan 8.250 nan 0.000 0.529 77 A N 0.895 123.608 122.820 -0.178 0.000 2.269 77 A HA 0.318 4.638 4.320 -0.000 0.000 0.319 77 A C 0.406 177.880 177.584 -0.184 0.000 1.110 77 A CA -0.421 51.451 52.037 -0.275 0.000 0.847 77 A CB 0.713 19.686 19.000 -0.045 0.000 1.161 77 A HN 0.008 nan 8.150 nan 0.000 0.497 78 D N -0.642 119.646 120.400 -0.186 0.000 2.301 78 D HA 0.153 4.793 4.640 -0.000 0.000 0.206 78 D C -0.146 176.119 176.300 -0.058 0.000 0.979 78 D CA 1.302 55.236 54.000 -0.111 0.000 0.874 78 D CB 0.550 41.280 40.800 -0.116 0.000 0.968 78 D HN 0.204 nan 8.370 nan 0.000 0.510 79 V N 1.429 121.311 119.914 -0.052 0.000 2.808 79 V HA 0.320 4.440 4.120 -0.000 0.000 0.308 79 V C -1.091 174.977 176.094 -0.043 0.000 1.099 79 V CA -0.975 61.305 62.300 -0.034 0.000 0.920 79 V CB 2.954 34.761 31.823 -0.026 0.000 1.014 79 V HN -0.092 nan 8.190 nan 0.000 0.425 80 L N 5.302 126.467 121.223 -0.097 0.000 2.362 80 L HA 0.732 5.072 4.340 -0.000 0.000 0.275 80 L C -0.927 175.812 176.870 -0.218 0.000 0.998 80 L CA -0.070 54.664 54.840 -0.176 0.000 0.820 80 L CB 1.524 43.388 42.059 -0.325 0.000 1.270 80 L HN 0.591 nan 8.230 nan 0.000 0.415 81 I N 4.288 124.759 120.570 -0.165 0.000 2.378 81 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 81 I C -0.870 175.129 176.117 -0.197 0.000 0.992 81 I CA -0.472 60.738 61.300 -0.151 0.000 1.154 81 I CB 1.777 39.729 38.000 -0.080 0.000 1.315 81 I HN 0.733 nan 8.210 nan 0.000 0.448 82 E N 4.299 124.368 120.200 -0.219 0.000 2.293 82 E HA 0.665 5.015 4.350 -0.000 0.000 0.270 82 E C -0.267 176.180 176.600 -0.256 0.000 0.879 82 E CA -0.878 55.350 56.400 -0.286 0.000 0.756 82 E CB 1.863 31.437 29.700 -0.210 0.000 1.208 82 E HN 0.547 nan 8.360 nan 0.000 0.428 83 G N 1.813 110.354 108.800 -0.432 0.000 4.100 83 G HA2 0.188 4.148 3.960 -0.000 0.000 0.294 83 G HA3 0.188 4.148 3.960 -0.000 0.000 0.294 83 G C -0.757 174.023 174.900 -0.200 0.000 1.040 83 G CA -0.335 44.611 45.100 -0.257 0.000 0.829 83 G HN 0.409 nan 8.290 nan 0.000 0.505 84 Y N 0.045 120.365 120.300 0.034 0.000 2.295 84 Y HA 0.381 4.931 4.550 -0.000 0.000 0.331 84 Y C 1.308 177.231 175.900 0.038 0.000 1.311 84 Y CA -1.036 57.086 58.100 0.037 0.000 1.430 84 Y CB 0.736 39.222 38.460 0.045 0.000 1.339 84 Y HN -0.077 nan 8.280 nan 0.000 0.552 85 R N 1.799 122.437 120.500 0.230 0.000 2.640 85 R HA 0.062 4.402 4.340 -0.000 0.000 0.270 85 R C -2.591 173.793 176.300 0.140 0.000 1.024 85 R CA -1.337 54.850 56.100 0.145 0.000 1.085 85 R CB 0.025 30.394 30.300 0.115 0.000 0.963 85 R HN 0.275 nan 8.270 nan 0.000 0.426 86 P HA -0.008 nan 4.420 nan 0.000 0.264 86 P C 0.182 177.531 177.300 0.081 0.000 1.183 86 P CA 1.092 64.249 63.100 0.095 0.000 0.763 86 P CB 0.762 32.506 31.700 0.073 0.000 0.807 87 G N 1.053 109.900 108.800 0.078 0.000 2.254 87 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.225 87 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.225 87 G C 1.007 175.945 174.900 0.063 0.000 1.003 87 G CA 0.202 45.337 45.100 0.057 0.000 0.622 87 G HN 0.388 nan 8.290 nan 0.000 0.507 88 V N 2.088 122.054 119.914 0.086 0.000 2.270 88 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 88 V C 3.266 179.405 176.094 0.074 0.000 1.043 88 V CA 3.576 65.907 62.300 0.053 0.000 1.014 88 V CB -1.179 30.661 31.823 0.029 0.000 0.645 88 V HN 0.901 nan 8.190 nan 0.000 0.447 89 T N -1.478 113.180 114.554 0.174 0.000 2.759 89 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 89 T C 1.643 176.419 174.700 0.127 0.000 1.042 89 T CA 1.803 64.021 62.100 0.196 0.000 1.140 89 T CB -0.429 68.632 68.868 0.322 0.000 0.864 89 T HN 0.460 nan 8.240 nan 0.000 0.455 90 E N 0.980 121.237 120.200 0.094 0.000 2.058 90 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 90 E C 2.404 179.027 176.600 0.039 0.000 0.997 90 E CA 1.099 57.529 56.400 0.050 0.000 0.801 90 E CB -0.285 29.432 29.700 0.028 0.000 0.746 90 E HN 0.464 nan 8.360 nan 0.000 0.450 91 R N 0.375 120.894 120.500 0.033 0.000 2.115 91 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 91 R C 1.982 178.292 176.300 0.016 0.000 1.111 91 R CA 0.888 56.999 56.100 0.018 0.000 0.976 91 R CB -0.176 30.129 30.300 0.008 0.000 0.870 91 R HN 0.239 nan 8.270 nan 0.000 0.445 92 L N -0.713 120.525 121.223 0.024 0.000 2.376 92 L HA 0.062 4.402 4.340 -0.000 0.000 0.219 92 L C 1.320 178.213 176.870 0.037 0.000 1.133 92 L CA 0.883 55.737 54.840 0.023 0.000 0.816 92 L CB 0.008 42.083 42.059 0.027 0.000 0.933 92 L HN 0.571 nan 8.230 nan 0.000 0.449 93 G N -0.058 108.770 108.800 0.046 0.000 2.131 93 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.223 93 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.223 93 G C 0.413 175.357 174.900 0.073 0.000 0.990 93 G CA -0.023 45.107 45.100 0.049 0.000 0.671 93 G HN 0.288 nan 8.290 nan 0.000 0.521 94 L N 0.931 122.216 121.223 0.104 0.000 3.066 94 L HA 0.436 4.776 4.340 -0.000 0.000 0.265 94 L C 1.695 178.710 176.870 0.242 0.000 1.232 94 L CA -0.046 54.890 54.840 0.160 0.000 1.031 94 L CB 0.407 42.564 42.059 0.163 0.000 1.379 94 L HN 0.307 nan 8.230 nan 0.000 0.563 95 G N 0.504 109.389 108.800 0.141 0.000 2.667 95 G HA2 0.164 4.124 3.960 -0.000 0.000 0.250 95 G HA3 0.164 4.124 3.960 -0.000 0.000 0.250 95 G C -1.802 173.045 174.900 -0.088 0.000 1.212 95 G CA -0.741 44.389 45.100 0.049 0.000 0.874 95 G HN -0.014 nan 8.290 nan 0.000 0.561 96 P HA -0.079 nan 4.420 nan 0.000 0.216 96 P C 1.479 178.665 177.300 -0.190 0.000 1.150 96 P CA 1.281 64.019 63.100 -0.603 0.000 0.837 96 P CB 0.274 31.535 31.700 -0.732 0.000 0.786 97 E N -0.736 119.386 120.200 -0.129 0.000 2.110 97 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 97 E C 2.035 178.626 176.600 -0.016 0.000 0.988 97 E CA 0.882 57.248 56.400 -0.057 0.000 0.804 97 E CB -0.284 29.388 29.700 -0.046 0.000 0.745 97 E HN 0.211 nan 8.360 nan 0.000 0.458 98 E N -0.153 120.048 120.200 0.003 0.000 2.106 98 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 98 E C 2.174 178.808 176.600 0.056 0.000 0.984 98 E CA 0.655 57.075 56.400 0.033 0.000 0.806 98 E CB -0.351 29.377 29.700 0.047 0.000 0.750 98 E HN 0.326 nan 8.360 nan 0.000 0.458 99 C N 0.791 120.144 119.300 0.089 0.000 2.440 99 C HA 0.001 4.461 4.460 -0.000 0.000 0.278 99 C C 2.789 177.829 174.990 0.083 0.000 1.295 99 C CA 0.652 59.745 59.018 0.126 0.000 1.738 99 C CB -0.987 26.906 27.740 0.255 0.000 1.987 99 C HN 0.458 nan 8.230 nan 0.000 0.492 100 A N 0.560 123.411 122.820 0.052 0.000 2.024 100 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 100 A C 2.115 179.714 177.584 0.025 0.000 1.164 100 A CA 1.561 53.617 52.037 0.031 0.000 0.643 100 A CB -0.450 18.553 19.000 0.006 0.000 0.806 100 A HN 0.722 nan 8.150 nan 0.000 0.451 101 K N -0.532 119.883 120.400 0.025 0.000 2.211 101 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 101 K C 1.627 178.242 176.600 0.025 0.000 1.050 101 K CA 1.522 57.821 56.287 0.021 0.000 0.945 101 K CB -0.136 32.376 32.500 0.020 0.000 0.732 101 K HN 0.584 nan 8.250 nan 0.000 0.451 102 V N -2.911 117.024 119.914 0.034 0.000 3.661 102 V HA 0.181 4.301 4.120 -0.000 0.000 0.271 102 V C 0.085 176.197 176.094 0.031 0.000 1.315 102 V CA -0.047 62.273 62.300 0.034 0.000 1.072 102 V CB -0.152 31.698 31.823 0.044 0.000 0.830 102 V HN 0.244 nan 8.190 nan 0.000 0.443 103 N N 1.225 119.945 118.700 0.033 0.000 3.112 103 N HA 0.096 4.836 4.740 -0.000 0.000 0.231 103 N C -0.511 175.015 175.510 0.028 0.000 1.385 103 N CA 0.416 53.481 53.050 0.025 0.000 0.790 103 N CB 1.049 39.554 38.487 0.030 0.000 1.563 103 N HN 0.379 nan 8.380 nan 0.000 0.613 104 D N 2.109 122.518 120.400 0.015 0.000 2.319 104 D HA 0.013 4.653 4.640 -0.000 0.000 0.230 104 D C 0.823 177.128 176.300 0.009 0.000 1.094 104 D CA 0.136 54.145 54.000 0.015 0.000 0.856 104 D CB 0.145 40.949 40.800 0.006 0.000 0.915 104 D HN 0.482 nan 8.370 nan 0.000 0.517 105 R N -0.556 119.946 120.500 0.003 0.000 2.334 105 R HA 0.217 4.557 4.340 -0.000 0.000 0.216 105 R C 0.215 176.516 176.300 0.002 0.000 0.905 105 R CA -0.596 55.500 56.100 -0.007 0.000 1.064 105 R CB 0.199 30.483 30.300 -0.027 0.000 1.046 105 R HN 0.112 nan 8.270 nan 0.000 0.508 106 L N 2.153 123.391 121.223 0.025 0.000 2.455 106 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 106 L C -0.291 176.619 176.870 0.067 0.000 1.174 106 L CA 0.251 55.117 54.840 0.043 0.000 0.869 106 L CB 0.463 42.571 42.059 0.082 0.000 1.130 106 L HN -0.043 nan 8.230 nan 0.000 0.474 107 I N 6.498 127.097 120.570 0.048 0.000 2.322 107 I HA 0.047 4.217 4.170 -0.000 0.000 0.292 107 I C -0.475 175.697 176.117 0.091 0.000 1.060 107 I CA -0.052 61.289 61.300 0.069 0.000 1.309 107 I CB -0.322 37.702 38.000 0.039 0.000 1.415 107 I HN 0.565 nan 8.210 nan 0.000 0.492 108 Y N 5.946 126.256 120.300 0.016 0.000 2.518 108 Y HA 0.579 5.129 4.550 -0.000 0.000 0.344 108 Y C 0.246 176.157 175.900 0.019 0.000 0.982 108 Y CA -0.671 57.440 58.100 0.019 0.000 1.234 108 Y CB 0.897 39.369 38.460 0.021 0.000 1.114 108 Y HN 0.664 nan 8.280 nan 0.000 0.515 109 A N 7.546 130.378 122.820 0.020 0.000 2.249 109 A HA 0.595 4.915 4.320 -0.000 0.000 0.314 109 A C -0.608 176.998 177.584 0.037 0.000 1.290 109 A CA -0.843 51.225 52.037 0.051 0.000 0.893 109 A CB 0.312 19.317 19.000 0.008 0.000 1.165 109 A HN 0.856 nan 8.150 nan 0.000 0.530 110 R N 2.379 122.942 120.500 0.106 0.000 2.310 110 R HA 0.439 4.779 4.340 -0.000 0.000 0.324 110 R C -1.005 175.314 176.300 0.033 0.000 0.955 110 R CA -0.578 55.577 56.100 0.092 0.000 0.830 110 R CB 1.566 31.962 30.300 0.159 0.000 1.154 110 R HN 0.686 nan 8.270 nan 0.000 0.458 111 M N 3.200 122.794 119.600 -0.010 0.000 2.047 111 M HA 0.218 4.698 4.480 -0.000 0.000 0.342 111 M C -0.753 175.505 176.300 -0.070 0.000 1.058 111 M CA -0.049 55.231 55.300 -0.034 0.000 0.991 111 M CB 1.208 33.789 32.600 -0.031 0.000 1.474 111 M HN 0.729 nan 8.290 nan 0.000 0.419 112 T N 0.686 115.174 114.554 -0.111 0.000 2.838 112 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 112 T C 0.587 175.045 174.700 -0.404 0.000 1.113 112 T CA -0.427 61.564 62.100 -0.182 0.000 1.008 112 T CB 1.266 70.076 68.868 -0.096 0.000 1.259 112 T HN 0.500 nan 8.240 nan 0.000 0.520 113 G N -1.073 107.296 108.800 -0.718 0.000 2.437 113 G HA2 0.094 4.054 3.960 -0.000 0.000 0.212 113 G HA3 0.094 4.054 3.960 -0.000 0.000 0.212 113 G C 0.724 174.950 174.900 -1.122 0.000 1.174 113 G CA -0.333 43.731 45.100 -1.726 0.000 0.811 113 G HN 0.804 nan 8.290 nan 0.000 0.537 114 W N 0.493 121.550 121.300 -0.405 0.000 3.114 114 W HA 0.450 5.110 4.660 -0.000 0.000 0.279 114 W C 1.285 177.734 176.519 -0.117 0.000 1.277 114 W CA 0.207 57.455 57.345 -0.163 0.000 1.630 114 W CB 0.706 30.149 29.460 -0.028 0.000 1.087 114 W HN 0.513 nan 8.180 nan 0.000 0.637 115 G N 0.318 109.157 108.800 0.064 0.000 2.603 115 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 115 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.686 115 G C 0.196 175.131 174.900 0.059 0.000 1.286 115 G CA -0.511 44.614 45.100 0.042 0.000 0.871 115 G HN -0.069 nan 8.290 nan 0.000 0.568 116 Q N -0.574 119.249 119.800 0.039 0.000 2.230 116 Q HA 0.072 4.411 4.340 -0.000 0.000 0.202 116 Q C 1.816 177.838 176.000 0.037 0.000 0.963 116 Q CA 2.115 57.942 55.803 0.040 0.000 0.866 116 Q CB -0.153 28.602 28.738 0.028 0.000 0.931 116 Q HN 1.226 nan 8.270 nan 0.000 0.452 117 T N -3.974 110.598 114.554 0.031 0.000 2.864 117 T HA 0.747 5.097 4.350 -0.000 0.000 0.289 117 T C 0.126 174.834 174.700 0.013 0.000 1.082 117 T CA -0.323 61.788 62.100 0.018 0.000 1.009 117 T CB 2.483 71.354 68.868 0.006 0.000 1.234 117 T HN 0.319 nan 8.240 nan 0.000 0.526 118 G N 1.075 109.871 108.800 -0.006 0.000 2.515 118 G HA2 0.134 4.094 3.960 -0.000 0.000 0.686 118 G HA3 0.134 4.094 3.960 -0.000 0.000 0.686 118 G C -2.267 172.601 174.900 -0.055 0.000 1.274 118 G CA -0.300 44.783 45.100 -0.029 0.000 0.874 118 G HN 0.689 nan 8.290 nan 0.000 0.631 119 P HA -0.051 nan 4.420 nan 0.000 0.222 119 P C 1.282 178.485 177.300 -0.161 0.000 1.147 119 P CA 0.987 64.025 63.100 -0.105 0.000 0.790 119 P CB 0.105 31.740 31.700 -0.109 0.000 0.780 120 R N -0.196 120.150 120.500 -0.256 0.000 2.362 120 R HA 0.124 4.464 4.340 -0.000 0.000 0.227 120 R C 2.166 178.348 176.300 -0.198 0.000 0.905 120 R CA 0.451 56.293 56.100 -0.430 0.000 1.067 120 R CB -0.189 29.457 30.300 -1.090 0.000 1.078 120 R HN 0.246 nan 8.270 nan 0.000 0.516 121 S N 0.402 116.085 115.700 -0.027 0.000 2.442 121 S HA -0.117 4.353 4.470 -0.000 0.000 0.236 121 S C 1.572 176.254 174.600 0.136 0.000 1.007 121 S CA 0.779 59.045 58.200 0.110 0.000 0.965 121 S CB 0.119 63.362 63.200 0.072 0.000 0.773 121 S HN 0.184 nan 8.310 nan 0.000 0.504 122 Q N 0.586 120.435 119.800 0.082 0.000 2.282 122 Q HA 0.324 4.664 4.340 -0.000 0.000 0.206 122 Q C 0.090 176.158 176.000 0.113 0.000 0.878 122 Q CA 0.090 55.946 55.803 0.088 0.000 0.944 122 Q CB 0.221 28.988 28.738 0.048 0.000 1.100 122 Q HN 0.712 nan 8.270 nan 0.000 0.509 123 Q N 0.197 120.089 119.800 0.155 0.000 2.261 123 Q HA 0.491 4.830 4.340 -0.000 0.000 0.252 123 Q C -0.651 175.538 176.000 0.315 0.000 0.915 123 Q CA -0.335 55.575 55.803 0.179 0.000 0.915 123 Q CB 1.230 30.007 28.738 0.066 0.000 1.204 123 Q HN 0.227 nan 8.270 nan 0.000 0.421 124 A N 2.259 125.203 122.820 0.206 0.000 2.448 124 A HA 0.596 4.916 4.320 -0.000 0.000 0.239 124 A C 0.332 178.039 177.584 0.204 0.000 1.080 124 A CA 0.770 52.900 52.037 0.156 0.000 0.779 124 A CB 0.173 19.228 19.000 0.090 0.000 1.026 124 A HN 0.852 nan 8.150 nan 0.000 0.499 125 G N -0.106 108.698 108.800 0.006 0.000 2.356 125 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 125 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 125 G C -1.311 173.263 174.900 -0.544 0.000 1.423 125 G CA -0.695 44.306 45.100 -0.166 0.000 0.806 125 G HN 0.892 nan 8.290 nan 0.000 0.527 126 H N -0.992 117.762 119.070 -0.526 0.000 2.931 126 H HA 0.358 4.914 4.556 -0.000 0.000 0.331 126 H C 0.621 175.464 175.328 -0.808 0.000 1.273 126 H CA -0.180 55.606 56.048 -0.436 0.000 1.171 126 H CB 2.337 31.975 29.762 -0.207 0.000 1.898 126 H HN 0.634 nan 8.280 nan 0.000 0.562 127 D N 0.845 121.114 120.400 -0.218 0.000 2.126 127 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 127 D C 1.873 178.023 176.300 -0.249 0.000 1.001 127 D CA 1.463 55.366 54.000 -0.162 0.000 0.841 127 D CB 0.049 40.792 40.800 -0.095 0.000 0.949 127 D HN 0.518 nan 8.370 nan 0.000 0.446 128 I N 0.331 120.789 120.570 -0.187 0.000 2.248 128 I HA -0.336 3.834 4.170 -0.000 0.000 0.248 128 I C 1.646 177.670 176.117 -0.154 0.000 1.107 128 I CA 1.491 62.716 61.300 -0.125 0.000 1.373 128 I CB -0.173 37.782 38.000 -0.075 0.000 1.055 128 I HN 0.067 nan 8.210 nan 0.000 0.418 129 N N -0.481 118.029 118.700 -0.316 0.000 2.142 129 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 129 N C 1.612 177.009 175.510 -0.188 0.000 1.023 129 N CA 1.485 54.398 53.050 -0.229 0.000 0.852 129 N CB -0.286 38.043 38.487 -0.264 0.000 0.998 129 N HN 0.319 nan 8.380 nan 0.000 0.424 130 Y N 1.348 121.481 120.300 -0.278 0.000 2.145 130 Y HA -0.060 4.490 4.550 -0.000 0.000 0.286 130 Y C 2.148 178.025 175.900 -0.038 0.000 1.145 130 Y CA 0.428 58.308 58.100 -0.366 0.000 1.148 130 Y CB -1.016 37.141 38.460 -0.505 0.000 0.981 130 Y HN 0.156 nan 8.280 nan 0.000 0.507 131 I N -1.893 118.724 120.570 0.078 0.000 2.928 131 I HA -0.064 4.106 4.170 -0.000 0.000 0.266 131 I C 2.258 178.443 176.117 0.114 0.000 1.234 131 I CA 1.331 62.688 61.300 0.095 0.000 1.483 131 I CB -0.565 37.468 38.000 0.057 0.000 1.097 131 I HN 0.172 nan 8.210 nan 0.000 0.455 132 S N 1.719 117.485 115.700 0.110 0.000 2.406 132 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 132 S C 1.919 176.624 174.600 0.175 0.000 1.020 132 S CA 0.815 59.094 58.200 0.132 0.000 0.965 132 S CB -0.538 62.728 63.200 0.111 0.000 0.798 132 S HN 0.501 nan 8.310 nan 0.000 0.488 133 L N 2.742 124.110 121.223 0.242 0.000 2.418 133 L HA 0.282 4.622 4.340 -0.000 0.000 0.218 133 L C 1.475 178.474 176.870 0.216 0.000 1.125 133 L CA 1.144 56.133 54.840 0.248 0.000 0.835 133 L CB -0.423 41.867 42.059 0.384 0.000 0.953 133 L HN 0.744 nan 8.230 nan 0.000 0.454 134 N N -2.706 116.128 118.700 0.223 0.000 2.235 134 N HA 0.220 4.960 4.740 -0.000 0.000 0.231 134 N C 1.097 176.784 175.510 0.294 0.000 1.177 134 N CA 0.541 53.740 53.050 0.249 0.000 0.874 134 N CB 0.763 39.386 38.487 0.225 0.000 1.097 134 N HN 0.097 nan 8.380 nan 0.000 0.518 135 G N 1.428 110.348 108.800 0.200 0.000 2.217 135 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 135 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 135 G C 0.739 175.697 174.900 0.097 0.000 0.990 135 G CA 0.359 45.534 45.100 0.125 0.000 0.627 135 G HN 0.319 nan 8.290 nan 0.000 0.522 136 I N 0.064 120.700 120.570 0.109 0.000 2.163 136 I HA -0.065 4.105 4.170 -0.000 0.000 0.240 136 I C 2.606 178.775 176.117 0.088 0.000 1.081 136 I CA 1.559 62.903 61.300 0.073 0.000 1.353 136 I CB -0.323 37.721 38.000 0.074 0.000 1.054 136 I HN 0.283 nan 8.210 nan 0.000 0.407 137 L N 0.423 121.705 121.223 0.099 0.000 2.083 137 L HA -0.271 4.069 4.340 -0.000 0.000 0.209 137 L C 2.640 179.563 176.870 0.089 0.000 1.083 137 L CA 1.963 56.850 54.840 0.078 0.000 0.752 137 L CB -1.113 40.987 42.059 0.069 0.000 0.899 137 L HN 0.312 nan 8.230 nan 0.000 0.433 138 H N -0.319 118.774 119.070 0.039 0.000 2.460 138 H HA -0.103 4.453 4.556 -0.000 0.000 0.297 138 H C 1.643 176.995 175.328 0.040 0.000 1.103 138 H CA 1.434 57.504 56.048 0.036 0.000 1.292 138 H CB 0.310 30.095 29.762 0.038 0.000 1.376 138 H HN 0.482 nan 8.280 nan 0.000 0.531 139 A N 0.385 123.303 122.820 0.163 0.000 2.275 139 A HA 0.227 4.547 4.320 -0.000 0.000 0.212 139 A C 0.940 178.586 177.584 0.103 0.000 1.201 139 A CA -0.225 51.913 52.037 0.167 0.000 0.843 139 A CB 0.082 19.212 19.000 0.217 0.000 0.873 139 A HN 0.229 nan 8.150 nan 0.000 0.492 140 I N 0.207 120.805 120.570 0.046 0.000 2.339 140 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 140 I C 0.693 176.803 176.117 -0.013 0.000 0.994 140 I CA 0.119 61.437 61.300 0.029 0.000 1.191 140 I CB 1.304 39.322 38.000 0.030 0.000 1.343 140 I HN 0.347 nan 8.210 nan 0.000 0.458 141 G N 5.215 114.005 108.800 -0.017 0.000 2.353 141 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.615 141 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.615 141 G C -1.020 173.847 174.900 -0.055 0.000 1.280 141 G CA -1.135 43.939 45.100 -0.043 0.000 1.000 141 G HN 0.409 nan 8.290 nan 0.000 0.516 142 R N 0.079 120.539 120.500 -0.066 0.000 2.594 142 R HA 0.423 4.763 4.340 -0.000 0.000 0.272 142 R C 1.846 178.105 176.300 -0.068 0.000 1.074 142 R CA 0.228 56.286 56.100 -0.070 0.000 1.105 142 R CB 0.431 30.688 30.300 -0.072 0.000 1.008 142 R HN 1.104 nan 8.270 nan 0.000 0.472 143 G N 1.319 110.080 108.800 -0.064 0.000 2.443 143 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 143 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 143 G C 0.575 175.443 174.900 -0.053 0.000 1.131 143 G CA 0.653 45.717 45.100 -0.061 0.000 0.775 143 G HN 0.670 nan 8.290 nan 0.000 0.547 144 D N -0.006 120.366 120.400 -0.047 0.000 2.325 144 D HA 0.122 4.762 4.640 -0.000 0.000 0.225 144 D C 0.392 176.668 176.300 -0.039 0.000 1.096 144 D CA -0.009 53.969 54.000 -0.038 0.000 0.844 144 D CB 0.139 40.921 40.800 -0.030 0.000 0.925 144 D HN 0.389 nan 8.370 nan 0.000 0.513 145 E N 0.025 120.195 120.200 -0.050 0.000 2.416 145 E HA 0.318 4.668 4.350 -0.000 0.000 0.273 145 E C -0.281 176.283 176.600 -0.060 0.000 0.935 145 E CA -1.202 55.170 56.400 -0.048 0.000 0.784 145 E CB 2.126 31.798 29.700 -0.047 0.000 1.301 145 E HN 0.076 nan 8.360 nan 0.000 0.454 146 R N 0.479 120.948 120.500 -0.051 0.000 2.784 146 R HA 0.263 4.603 4.340 -0.000 0.000 0.266 146 R C -2.343 173.916 176.300 -0.068 0.000 1.044 146 R CA -1.203 54.862 56.100 -0.059 0.000 1.151 146 R CB -0.647 29.631 30.300 -0.037 0.000 1.037 146 R HN 0.090 nan 8.270 nan 0.000 0.478 147 P HA -0.046 nan 4.420 nan 0.000 0.267 147 P C -0.881 176.394 177.300 -0.041 0.000 1.200 147 P CA -0.297 62.759 63.100 -0.073 0.000 0.772 147 P CB 0.746 32.405 31.700 -0.069 0.000 0.855 148 V N 4.133 124.027 119.914 -0.033 0.000 2.495 148 V HA 0.482 4.602 4.120 -0.000 0.000 0.298 148 V C -2.392 173.694 176.094 -0.012 0.000 1.031 148 V CA -2.777 59.508 62.300 -0.024 0.000 0.871 148 V CB 1.810 33.614 31.823 -0.031 0.000 0.988 148 V HN 0.473 nan 8.190 nan 0.000 0.432 149 P HA 0.284 nan 4.420 nan 0.000 0.271 149 P C -2.678 174.626 177.300 0.006 0.000 1.220 149 P CA -1.546 61.553 63.100 -0.002 0.000 0.768 149 P CB 0.196 31.891 31.700 -0.010 0.000 0.848 150 P HA 0.147 nan 4.420 nan 0.000 0.220 150 P C 0.556 177.883 177.300 0.045 0.000 1.806 150 P CA -0.131 62.986 63.100 0.029 0.000 0.976 150 P CB -0.331 31.391 31.700 0.036 0.000 1.952 151 L N -0.687 120.562 121.223 0.042 0.000 7.036 151 L HA -0.321 4.019 4.340 -0.000 0.000 0.055 151 L C 1.070 177.959 176.870 0.031 0.000 1.497 151 L CA 1.551 56.424 54.840 0.055 0.000 1.662 151 L CB -1.341 40.781 42.059 0.105 0.000 2.723 151 L HN 0.365 nan 8.230 nan 0.000 1.084 152 N N 0.251 118.973 118.700 0.037 0.000 2.453 152 N HA 0.239 4.979 4.740 -0.000 0.000 0.270 152 N C 0.662 176.138 175.510 -0.056 0.000 1.195 152 N CA -0.065 52.949 53.050 -0.059 0.000 0.902 152 N CB 0.168 38.565 38.487 -0.151 0.000 1.186 152 N HN 0.624 nan 8.380 nan 0.000 0.510 153 L N -0.595 120.684 121.223 0.093 0.000 2.240 153 L HA 0.039 4.379 4.340 -0.000 0.000 0.211 153 L C 1.704 178.650 176.870 0.126 0.000 1.106 153 L CA 0.594 55.551 54.840 0.196 0.000 0.793 153 L CB 0.140 42.303 42.059 0.173 0.000 0.927 153 L HN 0.050 nan 8.230 nan 0.000 0.446 154 V N -1.095 118.853 119.914 0.056 0.000 2.575 154 V HA 0.087 4.207 4.120 -0.000 0.000 0.242 154 V C 2.307 178.421 176.094 0.032 0.000 1.045 154 V CA 1.433 63.770 62.300 0.061 0.000 1.065 154 V CB -0.313 31.542 31.823 0.054 0.000 0.717 154 V HN 0.442 nan 8.190 nan 0.000 0.467 155 G N -0.407 108.382 108.800 -0.018 0.000 2.439 155 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.212 155 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.212 155 G C 1.168 176.005 174.900 -0.106 0.000 1.199 155 G CA 0.703 45.789 45.100 -0.023 0.000 0.807 155 G HN 0.419 nan 8.290 nan 0.000 0.537 156 D N -0.016 120.213 120.400 -0.284 0.000 2.117 156 D HA -0.008 4.632 4.640 -0.000 0.000 0.198 156 D C 2.003 178.020 176.300 -0.473 0.000 0.982 156 D CA 0.872 54.545 54.000 -0.545 0.000 0.828 156 D CB -0.040 40.082 40.800 -1.129 0.000 0.967 156 D HN 0.303 nan 8.370 nan 0.000 0.464 157 F N -0.094 119.855 119.950 -0.002 0.000 2.484 157 F HA 0.288 4.815 4.527 -0.000 0.000 0.268 157 F C 2.581 178.437 175.800 0.093 0.000 0.965 157 F CA 0.392 58.379 58.000 -0.021 0.000 1.119 157 F CB -1.213 37.671 39.000 -0.193 0.000 1.153 157 F HN -0.094 nan 8.300 nan 0.000 0.689 158 G N -0.182 108.781 108.800 0.271 0.000 2.476 158 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 158 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 158 G C 1.744 176.847 174.900 0.338 0.000 1.164 158 G CA 1.102 46.350 45.100 0.246 0.000 0.768 158 G HN 0.562 nan 8.290 nan 0.000 0.560 159 G N -0.660 108.292 108.800 0.253 0.000 3.233 159 G HA2 0.466 4.426 3.960 -0.000 0.000 0.234 159 G HA3 0.466 4.426 3.960 -0.000 0.000 0.234 159 G C 0.867 175.859 174.900 0.154 0.000 1.137 159 G CA 1.038 46.263 45.100 0.208 0.000 0.763 159 G HN 0.691 nan 8.290 nan 0.000 0.549 160 G N 0.707 109.630 108.800 0.205 0.000 2.474 160 G HA2 0.166 4.126 3.960 -0.000 0.000 0.205 160 G HA3 0.166 4.126 3.960 -0.000 0.000 0.205 160 G C 1.908 176.929 174.900 0.201 0.000 1.934 160 G CA 1.133 46.301 45.100 0.114 0.000 0.713 160 G HN 0.418 nan 8.290 nan 0.000 0.773 161 S N 0.482 116.326 115.700 0.240 0.000 2.387 161 S HA -0.143 4.327 4.470 -0.000 0.000 0.230 161 S C 2.347 177.089 174.600 0.236 0.000 1.035 161 S CA 1.853 60.222 58.200 0.282 0.000 1.014 161 S CB -0.328 63.174 63.200 0.503 0.000 0.836 161 S HN 0.123 nan 8.310 nan 0.000 0.466 162 M N 0.344 120.094 119.600 0.251 0.000 2.229 162 M HA 0.198 4.678 4.480 -0.000 0.000 0.264 162 M C 1.756 178.038 176.300 -0.031 0.000 1.063 162 M CA 0.953 56.313 55.300 0.100 0.000 1.114 162 M CB -1.540 31.102 32.600 0.069 0.000 1.387 162 M HN 0.339 nan 8.290 nan 0.000 0.420 163 F N -0.200 119.789 119.950 0.065 0.000 2.293 163 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 163 F C 2.182 178.003 175.800 0.035 0.000 1.089 163 F CA 0.506 58.530 58.000 0.040 0.000 1.377 163 F CB -0.668 38.347 39.000 0.026 0.000 1.051 163 F HN 0.019 nan 8.300 nan 0.000 0.511 164 L N 0.017 121.360 121.223 0.200 0.000 2.042 164 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 164 L C 2.095 179.009 176.870 0.073 0.000 1.076 164 L CA 1.769 56.679 54.840 0.117 0.000 0.749 164 L CB -0.668 41.447 42.059 0.093 0.000 0.893 164 L HN 0.108 nan 8.230 nan 0.000 0.432 165 L N -2.071 119.183 121.223 0.053 0.000 2.017 165 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 165 L C 2.421 179.290 176.870 -0.001 0.000 1.073 165 L CA 1.121 55.971 54.840 0.017 0.000 0.745 165 L CB -0.649 41.412 42.059 0.003 0.000 0.894 165 L HN 0.083 nan 8.230 nan 0.000 0.432 166 V N 0.239 120.130 119.914 -0.039 0.000 2.332 166 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 166 V C 2.610 178.709 176.094 0.009 0.000 1.055 166 V CA 2.067 64.335 62.300 -0.054 0.000 1.038 166 V CB -1.324 30.403 31.823 -0.161 0.000 0.651 166 V HN 0.600 nan 8.190 nan 0.000 0.450 167 G N -0.203 108.627 108.800 0.049 0.000 2.446 167 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 167 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 167 G C 1.588 176.524 174.900 0.061 0.000 1.168 167 G CA 1.169 46.312 45.100 0.071 0.000 0.771 167 G HN 0.479 nan 8.290 nan 0.000 0.551 168 I N 0.346 120.946 120.570 0.049 0.000 2.127 168 I HA -0.169 4.001 4.170 -0.000 0.000 0.241 168 I C 2.734 178.877 176.117 0.044 0.000 1.075 168 I CA 0.936 62.261 61.300 0.041 0.000 1.334 168 I CB -0.179 37.836 38.000 0.025 0.000 1.040 168 I HN 0.127 nan 8.210 nan 0.000 0.405 169 L N 0.041 121.287 121.223 0.038 0.000 2.156 169 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 169 L C 2.771 179.691 176.870 0.084 0.000 1.095 169 L CA 0.989 55.858 54.840 0.047 0.000 0.770 169 L CB -0.673 41.402 42.059 0.026 0.000 0.914 169 L HN 0.224 nan 8.230 nan 0.000 0.439 170 A N 0.239 123.102 122.820 0.072 0.000 1.930 170 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 170 A C 2.521 180.204 177.584 0.165 0.000 1.175 170 A CA 1.612 53.713 52.037 0.106 0.000 0.627 170 A CB -0.598 18.437 19.000 0.059 0.000 0.815 170 A HN 0.375 nan 8.150 nan 0.000 0.443 171 A N -0.407 122.481 122.820 0.113 0.000 1.969 171 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 171 A C 2.106 179.745 177.584 0.092 0.000 1.169 171 A CA 1.333 53.430 52.037 0.100 0.000 0.635 171 A CB -0.511 18.534 19.000 0.073 0.000 0.810 171 A HN 0.472 nan 8.150 nan 0.000 0.445 172 L N -1.472 119.808 121.223 0.094 0.000 2.093 172 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 172 L C 2.589 179.518 176.870 0.098 0.000 1.085 172 L CA 1.190 56.072 54.840 0.069 0.000 0.755 172 L CB -0.501 41.589 42.059 0.052 0.000 0.904 172 L HN 0.818 nan 8.230 nan 0.000 0.435 173 W N 1.596 122.890 121.300 -0.010 0.000 2.335 173 W HA -0.237 4.423 4.660 0.000 0.000 0.311 173 W C 2.222 178.737 176.519 -0.006 0.000 1.213 173 W CA 1.828 59.168 57.345 -0.008 0.000 1.274 173 W CB -0.206 29.252 29.460 -0.003 0.000 1.148 173 W HN 0.239 nan 8.180 nan 0.000 0.498 174 E N 1.147 121.402 120.200 0.093 0.000 2.097 174 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 174 E C 2.271 178.799 176.600 -0.120 0.000 1.000 174 E CA 1.619 58.006 56.400 -0.023 0.000 0.804 174 E CB -0.562 29.192 29.700 0.090 0.000 0.740 174 E HN 0.335 nan 8.360 nan 0.000 0.454 175 R N 0.245 120.700 120.500 -0.075 0.000 2.189 175 R HA -0.105 4.235 4.340 -0.000 0.000 0.223 175 R C 2.366 178.587 176.300 -0.132 0.000 1.092 175 R CA 1.092 57.144 56.100 -0.080 0.000 0.989 175 R CB 0.018 30.292 30.300 -0.042 0.000 0.876 175 R HN 0.243 nan 8.270 nan 0.000 0.457 176 Q N -0.360 119.313 119.800 -0.212 0.000 2.096 176 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 176 Q C 2.015 177.870 176.000 -0.241 0.000 0.982 176 Q CA 2.356 58.005 55.803 -0.257 0.000 0.850 176 Q CB 0.087 28.568 28.738 -0.429 0.000 0.901 176 Q HN 0.454 nan 8.270 nan 0.000 0.422 177 S N -1.052 114.488 115.700 -0.266 0.000 2.475 177 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 177 S C 1.994 176.523 174.600 -0.118 0.000 1.042 177 S CA 0.557 58.642 58.200 -0.191 0.000 0.935 177 S CB 0.086 63.163 63.200 -0.205 0.000 0.801 177 S HN 0.331 nan 8.310 nan 0.000 0.509 178 S N 0.979 116.618 115.700 -0.102 0.000 2.458 178 S HA 0.390 4.860 4.470 -0.000 0.000 0.223 178 S C 1.869 176.436 174.600 -0.056 0.000 1.019 178 S CA 0.808 58.970 58.200 -0.063 0.000 0.937 178 S CB -0.809 62.364 63.200 -0.044 0.000 0.788 178 S HN 1.513 nan 8.310 nan 0.000 0.511 179 G N 1.067 109.827 108.800 -0.066 0.000 2.184 179 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 179 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 179 G C -0.051 174.826 174.900 -0.039 0.000 0.975 179 G CA 0.528 45.595 45.100 -0.054 0.000 0.642 179 G HN 0.602 nan 8.290 nan 0.000 0.536 180 K N 0.013 120.394 120.400 -0.032 0.000 2.385 180 K HA 0.626 4.946 4.320 -0.000 0.000 0.248 180 K C 0.719 177.316 176.600 -0.006 0.000 0.955 180 K CA -0.279 55.998 56.287 -0.016 0.000 0.816 180 K CB 2.135 34.628 32.500 -0.011 0.000 1.250 180 K HN 0.230 nan 8.250 nan 0.000 0.434 181 G N 0.438 109.243 108.800 0.007 0.000 2.510 181 G HA2 0.444 4.404 3.960 -0.000 0.000 0.280 181 G HA3 0.444 4.404 3.960 -0.000 0.000 0.280 181 G C -0.519 174.400 174.900 0.032 0.000 1.386 181 G CA -0.031 45.084 45.100 0.024 0.000 1.047 181 G HN 0.667 nan 8.290 nan 0.000 0.527 182 Q N -3.338 116.493 119.800 0.052 0.000 2.894 182 Q HA 0.463 4.803 4.340 -0.000 0.000 0.328 182 Q C -1.949 174.099 176.000 0.079 0.000 0.807 182 Q CA -0.914 54.917 55.803 0.048 0.000 0.831 182 Q CB 1.193 29.954 28.738 0.037 0.000 1.389 182 Q HN 0.433 nan 8.270 nan 0.000 0.489 183 V N 1.165 121.114 119.914 0.059 0.000 2.427 183 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 183 V C -0.464 175.682 176.094 0.086 0.000 1.034 183 V CA -0.675 61.678 62.300 0.089 0.000 0.893 183 V CB 1.493 33.322 31.823 0.011 0.000 0.982 183 V HN 0.518 nan 8.190 nan 0.000 0.452 184 V N 3.598 123.581 119.914 0.115 0.000 2.370 184 V HA 0.359 4.478 4.120 -0.000 0.000 0.283 184 V C -0.349 175.798 176.094 0.089 0.000 1.023 184 V CA -0.413 61.942 62.300 0.091 0.000 0.857 184 V CB 1.715 33.591 31.823 0.088 0.000 0.985 184 V HN 0.960 nan 8.190 nan 0.000 0.443 185 D N 4.798 125.237 120.400 0.064 0.000 2.473 185 D HA 0.506 5.145 4.640 -0.000 0.000 0.226 185 D C -0.062 176.258 176.300 0.034 0.000 1.089 185 D CA -0.261 53.767 54.000 0.048 0.000 0.883 185 D CB 1.360 42.179 40.800 0.032 0.000 1.029 185 D HN 0.652 nan 8.370 nan 0.000 0.517 186 A N 3.101 125.940 122.820 0.031 0.000 2.341 186 A HA 0.692 5.012 4.320 -0.000 0.000 0.326 186 A C -0.053 177.507 177.584 -0.041 0.000 1.402 186 A CA -0.607 51.443 52.037 0.022 0.000 0.957 186 A CB 0.529 19.570 19.000 0.069 0.000 1.151 186 A HN 0.618 nan 8.150 nan 0.000 0.533 187 A N 3.180 125.952 122.820 -0.080 0.000 2.276 187 A HA 0.570 4.890 4.320 -0.000 0.000 0.316 187 A C 0.978 178.433 177.584 -0.214 0.000 1.229 187 A CA -0.606 51.341 52.037 -0.150 0.000 0.851 187 A CB 0.206 19.148 19.000 -0.095 0.000 1.165 187 A HN 0.877 nan 8.150 nan 0.000 0.513 188 M N 2.489 121.892 119.600 -0.328 0.000 2.202 188 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 188 M C 1.887 178.055 176.300 -0.220 0.000 1.063 188 M CA 1.471 56.594 55.300 -0.295 0.000 1.097 188 M CB -0.320 32.042 32.600 -0.397 0.000 1.382 188 M HN 0.635 nan 8.290 nan 0.000 0.413 189 V N 0.551 120.338 119.914 -0.212 0.000 2.515 189 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 189 V C 1.534 177.595 176.094 -0.055 0.000 1.058 189 V CA 2.054 64.336 62.300 -0.029 0.000 1.064 189 V CB -0.351 31.573 31.823 0.167 0.000 0.675 189 V HN 0.406 nan 8.190 nan 0.000 0.461 190 D N 0.141 120.465 120.400 -0.128 0.000 2.144 190 D HA 0.012 4.652 4.640 -0.000 0.000 0.207 190 D C 2.101 178.190 176.300 -0.353 0.000 0.970 190 D CA 1.477 55.368 54.000 -0.182 0.000 0.853 190 D CB -0.825 39.874 40.800 -0.168 0.000 1.007 190 D HN 0.491 nan 8.370 nan 0.000 0.469 191 G N 0.944 109.433 108.800 -0.518 0.000 2.440 191 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 191 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 191 G C 1.736 176.180 174.900 -0.761 0.000 1.154 191 G CA 1.769 46.162 45.100 -1.178 0.000 0.767 191 G HN 0.404 nan 8.290 nan 0.000 0.552 192 S N 0.458 115.983 115.700 -0.293 0.000 2.402 192 S HA -0.060 4.409 4.470 -0.000 0.000 0.229 192 S C 2.400 176.987 174.600 -0.022 0.000 1.021 192 S CA 1.667 59.818 58.200 -0.082 0.000 0.974 192 S CB -0.318 62.879 63.200 -0.006 0.000 0.800 192 S HN 0.230 nan 8.310 nan 0.000 0.484 193 S N 1.504 117.177 115.700 -0.045 0.000 2.368 193 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 193 S C 1.941 176.562 174.600 0.034 0.000 1.029 193 S CA 1.231 59.464 58.200 0.055 0.000 0.988 193 S CB -0.566 62.613 63.200 -0.034 0.000 0.838 193 S HN 0.448 nan 8.310 nan 0.000 0.462 194 V N 1.741 121.595 119.914 -0.101 0.000 2.427 194 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 194 V C 2.208 178.385 176.094 0.139 0.000 1.051 194 V CA 1.227 63.527 62.300 -0.001 0.000 1.048 194 V CB -0.634 31.171 31.823 -0.030 0.000 0.666 194 V HN 0.331 nan 8.190 nan 0.000 0.456 195 L N -0.397 120.910 121.223 0.140 0.000 2.079 195 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 195 L C 1.855 178.797 176.870 0.121 0.000 1.081 195 L CA 1.874 56.844 54.840 0.217 0.000 0.752 195 L CB -0.272 41.924 42.059 0.227 0.000 0.896 195 L HN 0.294 nan 8.230 nan 0.000 0.433 196 I N -0.872 119.761 120.570 0.106 0.000 3.858 196 I HA -0.031 4.139 4.170 -0.000 0.000 0.325 196 I C 1.784 177.968 176.117 0.112 0.000 1.403 196 I CA 0.025 61.355 61.300 0.049 0.000 1.169 196 I CB -0.214 37.787 38.000 0.002 0.000 1.077 196 I HN 0.393 nan 8.210 nan 0.000 0.403 197 Q N 0.934 120.832 119.800 0.165 0.000 2.181 197 Q HA -0.264 4.076 4.340 -0.000 0.000 0.205 197 Q C 1.992 178.059 176.000 0.112 0.000 0.980 197 Q CA 1.807 57.733 55.803 0.205 0.000 0.862 197 Q CB -0.106 28.708 28.738 0.126 0.000 0.905 197 Q HN 0.638 nan 8.270 nan 0.000 0.429 198 M N -0.585 119.019 119.600 0.007 0.000 2.108 198 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 198 M C 1.735 177.938 176.300 -0.162 0.000 1.066 198 M CA 1.509 56.772 55.300 -0.062 0.000 1.107 198 M CB 0.064 32.605 32.600 -0.099 0.000 1.356 198 M HN 0.196 nan 8.290 nan 0.000 0.406 199 M N -1.212 118.190 119.600 -0.331 0.000 2.200 199 M HA -0.101 4.378 4.480 -0.000 0.000 0.265 199 M C 1.411 177.490 176.300 -0.368 0.000 1.066 199 M CA 1.853 56.788 55.300 -0.609 0.000 1.127 199 M CB -0.766 31.215 32.600 -1.031 0.000 1.379 199 M HN 0.363 nan 8.290 nan 0.000 0.420 200 W N -0.139 121.081 121.300 -0.134 0.000 2.363 200 W HA -0.093 4.567 4.660 -0.000 0.000 0.296 200 W C 2.537 179.040 176.519 -0.026 0.000 1.212 200 W CA 1.213 58.526 57.345 -0.054 0.000 1.260 200 W CB -0.676 28.759 29.460 -0.041 0.000 1.131 200 W HN 0.225 nan 8.180 nan 0.000 0.530 201 A N -0.003 122.916 122.820 0.166 0.000 1.877 201 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 201 A C 1.948 179.581 177.584 0.082 0.000 1.186 201 A CA 1.916 54.016 52.037 0.105 0.000 0.620 201 A CB -0.832 18.208 19.000 0.066 0.000 0.822 201 A HN 0.256 nan 8.150 nan 0.000 0.443 202 M N -1.658 117.972 119.600 0.049 0.000 2.229 202 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 202 M C 2.377 178.757 176.300 0.134 0.000 1.063 202 M CA 1.353 56.706 55.300 0.090 0.000 1.114 202 M CB -0.288 32.377 32.600 0.108 0.000 1.387 202 M HN 0.431 nan 8.290 nan 0.000 0.420 203 R N 0.554 121.127 120.500 0.120 0.000 2.105 203 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 203 R C 2.070 178.440 176.300 0.117 0.000 1.135 203 R CA 1.642 57.822 56.100 0.133 0.000 0.967 203 R CB -0.213 30.135 30.300 0.080 0.000 0.861 203 R HN 0.368 nan 8.270 nan 0.000 0.442 204 A N -0.325 122.567 122.820 0.120 0.000 2.121 204 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 204 A C 1.559 179.188 177.584 0.074 0.000 1.154 204 A CA 1.613 53.711 52.037 0.101 0.000 0.679 204 A CB -0.173 18.889 19.000 0.104 0.000 0.795 204 A HN 0.526 nan 8.150 nan 0.000 0.458 205 T N -5.497 109.101 114.554 0.074 0.000 3.228 205 T HA 0.459 4.809 4.350 -0.000 0.000 0.278 205 T C 1.063 175.796 174.700 0.054 0.000 1.014 205 T CA 0.825 62.960 62.100 0.058 0.000 0.904 205 T CB 0.072 68.973 68.868 0.054 0.000 1.110 205 T HN 1.580 nan 8.240 nan 0.000 0.541 206 G N 1.929 110.765 108.800 0.060 0.000 2.143 206 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 206 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 206 G C 0.539 175.472 174.900 0.055 0.000 0.991 206 G CA 0.501 45.628 45.100 0.045 0.000 0.689 206 G HN 0.568 nan 8.290 nan 0.000 0.522 207 M N -1.138 118.522 119.600 0.101 0.000 2.333 207 M HA 0.362 4.842 4.480 -0.000 0.000 0.257 207 M C 0.394 176.844 176.300 0.251 0.000 1.078 207 M CA 0.071 55.452 55.300 0.136 0.000 1.005 207 M CB 0.569 33.249 32.600 0.133 0.000 1.444 207 M HN 0.354 nan 8.290 nan 0.000 0.496 208 W N 0.653 121.938 121.300 -0.025 0.000 3.479 208 W HA 0.349 5.009 4.660 -0.000 0.000 0.304 208 W C -1.318 175.173 176.519 -0.047 0.000 1.243 208 W CA -0.543 56.776 57.345 -0.042 0.000 1.202 208 W CB 1.682 31.099 29.460 -0.073 0.000 1.346 208 W HN -0.033 nan 8.180 nan 0.000 0.539 209 T N -0.172 114.155 114.554 -0.379 0.000 2.926 209 T HA 0.300 4.650 4.350 -0.000 0.000 0.289 209 T C 0.038 174.668 174.700 -0.116 0.000 1.054 209 T CA -0.427 61.573 62.100 -0.167 0.000 1.015 209 T CB 2.076 70.837 68.868 -0.178 0.000 1.167 209 T HN 0.224 nan 8.240 nan 0.000 0.526 210 D N 0.760 121.150 120.400 -0.017 0.000 2.349 210 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 210 D C 0.300 176.644 176.300 0.074 0.000 1.029 210 D CA 0.498 54.521 54.000 0.038 0.000 0.879 210 D CB -0.213 40.583 40.800 -0.007 0.000 0.906 210 D HN 0.575 nan 8.370 nan 0.000 0.528 211 T N 1.431 115.975 114.554 -0.016 0.000 2.738 211 T HA 0.070 4.420 4.350 -0.000 0.000 0.293 211 T C 0.564 175.236 174.700 -0.045 0.000 0.913 211 T CA -0.401 61.690 62.100 -0.015 0.000 1.103 211 T CB 0.801 69.633 68.868 -0.061 0.000 0.880 211 T HN 0.030 nan 8.240 nan 0.000 0.526 212 R N 2.522 123.017 120.500 -0.008 0.000 2.570 212 R HA 0.324 4.664 4.340 -0.000 0.000 0.277 212 R C 1.266 177.524 176.300 -0.070 0.000 1.039 212 R CA 1.136 57.209 56.100 -0.044 0.000 1.065 212 R CB -0.147 30.081 30.300 -0.118 0.000 0.964 212 R HN 0.933 nan 8.270 nan 0.000 0.428 213 G N 2.150 110.906 108.800 -0.073 0.000 2.147 213 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 213 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 213 G C 0.165 175.008 174.900 -0.095 0.000 1.005 213 G CA 0.218 45.270 45.100 -0.079 0.000 0.713 213 G HN 0.860 nan 8.290 nan 0.000 0.515 214 A N -0.558 122.174 122.820 -0.146 0.000 2.610 214 A HA 0.607 4.927 4.320 -0.000 0.000 0.290 214 A C 0.496 177.954 177.584 -0.210 0.000 1.001 214 A CA 0.107 52.072 52.037 -0.120 0.000 1.004 214 A CB 0.395 19.331 19.000 -0.107 0.000 1.220 214 A HN 0.318 nan 8.150 nan 0.000 0.507 215 N N -1.315 117.184 118.700 -0.336 0.000 2.761 215 N HA 0.324 5.064 4.740 -0.000 0.000 0.283 215 N C 0.687 176.025 175.510 -0.286 0.000 1.377 215 N CA -0.665 52.048 53.050 -0.561 0.000 0.791 215 N CB 1.012 38.503 38.487 -1.660 0.000 1.540 215 N HN 0.185 nan 8.380 nan 0.000 0.539 216 M N 0.282 119.771 119.600 -0.186 0.000 2.229 216 M HA 0.067 4.547 4.480 -0.000 0.000 0.264 216 M C 0.573 176.792 176.300 -0.134 0.000 1.063 216 M CA 1.732 57.012 55.300 -0.034 0.000 1.114 216 M CB 0.123 32.788 32.600 0.109 0.000 1.387 216 M HN 0.381 nan 8.290 nan 0.000 0.420 217 L N -0.314 120.927 121.223 0.029 0.000 2.959 217 L HA 0.145 4.485 4.340 -0.000 0.000 0.259 217 L C 0.262 177.259 176.870 0.212 0.000 1.185 217 L CA -0.319 54.467 54.840 -0.089 0.000 0.998 217 L CB 0.112 42.134 42.059 -0.060 0.000 1.337 217 L HN 0.248 nan 8.230 nan 0.000 0.555 218 D N -1.220 119.288 120.400 0.181 0.000 2.431 218 D HA 0.190 4.830 4.640 -0.000 0.000 0.213 218 D C 1.322 177.649 176.300 0.045 0.000 1.130 218 D CA 0.499 54.592 54.000 0.155 0.000 0.834 218 D CB 0.828 41.721 40.800 0.155 0.000 0.985 218 D HN 0.125 nan 8.370 nan 0.000 0.504 219 G N -0.337 108.477 108.800 0.023 0.000 2.195 219 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.224 219 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.224 219 G C 1.279 176.081 174.900 -0.163 0.000 0.990 219 G CA 0.149 45.201 45.100 -0.079 0.000 0.639 219 G HN 0.608 nan 8.290 nan 0.000 0.514 220 G N 0.609 109.315 108.800 -0.156 0.000 2.443 220 G HA2 0.391 4.351 3.960 -0.000 0.000 0.219 220 G HA3 0.391 4.351 3.960 -0.000 0.000 0.219 220 G C 0.947 175.600 174.900 -0.410 0.000 1.131 220 G CA 1.631 46.628 45.100 -0.172 0.000 0.775 220 G HN 1.767 nan 8.290 nan 0.000 0.547 221 A N 0.333 122.749 122.820 -0.673 0.000 2.301 221 A HA 0.651 4.971 4.320 -0.000 0.000 0.298 221 A C -1.188 175.758 177.584 -1.063 0.000 1.185 221 A CA -1.338 49.806 52.037 -1.490 0.000 0.830 221 A CB 1.422 19.518 19.000 -1.508 0.000 1.112 221 A HN 0.022 nan 8.150 nan 0.000 0.508 222 P HA -0.149 nan 4.420 nan 0.000 0.221 222 P C 0.437 177.695 177.300 -0.070 0.000 1.145 222 P CA 1.418 64.301 63.100 -0.361 0.000 0.795 222 P CB -0.110 31.460 31.700 -0.216 0.000 0.775 223 Y N -4.563 115.696 120.300 -0.067 0.000 2.468 223 Y HA 0.368 4.918 4.550 -0.000 0.000 0.268 223 Y C 0.100 176.083 175.900 0.138 0.000 1.177 223 Y CA -1.069 57.101 58.100 0.117 0.000 1.265 223 Y CB -0.884 37.689 38.460 0.189 0.000 1.103 223 Y HN -0.130 nan 8.280 nan 0.000 0.522 224 Y N 1.678 121.844 120.300 -0.225 0.000 2.544 224 Y HA 0.507 5.057 4.550 -0.000 0.000 0.347 224 Y C -1.381 174.414 175.900 -0.174 0.000 1.089 224 Y CA -1.194 56.832 58.100 -0.124 0.000 1.230 224 Y CB 0.291 38.675 38.460 -0.127 0.000 1.101 224 Y HN 0.259 nan 8.280 nan 0.000 0.641 225 D N 0.435 120.668 120.400 -0.278 0.000 2.764 225 D HA 0.244 4.884 4.640 -0.000 0.000 0.293 225 D C -0.922 175.186 176.300 -0.321 0.000 1.287 225 D CA -0.098 53.720 54.000 -0.302 0.000 0.768 225 D CB 1.512 42.097 40.800 -0.358 0.000 1.288 225 D HN 0.250 nan 8.370 nan 0.000 0.426 226 T N -1.300 113.033 114.554 -0.367 0.000 2.902 226 T HA 0.735 5.085 4.350 -0.000 0.000 0.280 226 T C -0.586 173.830 174.700 -0.473 0.000 0.992 226 T CA -0.269 61.646 62.100 -0.309 0.000 1.015 226 T CB 0.928 69.631 68.868 -0.275 0.000 1.044 226 T HN 0.286 nan 8.240 nan 0.000 0.520 227 Y N -0.620 119.553 120.300 -0.213 0.000 2.442 227 Y HA 0.447 4.997 4.550 -0.000 0.000 0.344 227 Y C 0.248 176.168 175.900 0.034 0.000 0.976 227 Y CA -1.112 56.902 58.100 -0.142 0.000 1.040 227 Y CB 2.024 40.262 38.460 -0.371 0.000 1.228 227 Y HN 0.832 nan 8.280 nan 0.000 0.451 228 E N 2.199 122.561 120.200 0.269 0.000 2.338 228 E HA 0.391 4.741 4.350 -0.000 0.000 0.272 228 E C -0.878 175.815 176.600 0.155 0.000 1.029 228 E CA -0.229 56.285 56.400 0.189 0.000 0.872 228 E CB 0.577 30.380 29.700 0.172 0.000 1.015 228 E HN 0.690 nan 8.360 nan 0.000 0.417 229 C N 2.507 121.850 119.300 0.071 0.000 2.380 229 C HA 0.494 4.954 4.460 -0.000 0.000 0.393 229 C C 1.806 176.856 174.990 0.100 0.000 1.284 229 C CA -0.098 59.040 59.018 0.200 0.000 2.033 229 C CB 0.812 28.722 27.740 0.282 0.000 2.165 229 C HN 0.984 nan 8.230 nan 0.000 0.540 230 A N 0.957 123.851 122.820 0.123 0.000 2.024 230 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 230 A C 1.523 179.106 177.584 -0.003 0.000 1.164 230 A CA 2.304 54.365 52.037 0.040 0.000 0.643 230 A CB -0.533 18.469 19.000 0.003 0.000 0.806 230 A HN 0.959 nan 8.150 nan 0.000 0.451 231 D N -2.337 118.055 120.400 -0.014 0.000 2.328 231 D HA 0.267 4.907 4.640 -0.000 0.000 0.221 231 D C 1.140 177.388 176.300 -0.088 0.000 1.072 231 D CA 0.764 54.738 54.000 -0.043 0.000 0.850 231 D CB -0.632 40.146 40.800 -0.035 0.000 0.922 231 D HN 0.736 nan 8.370 nan 0.000 0.516 232 G N 0.571 109.296 108.800 -0.126 0.000 2.162 232 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 232 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 232 G C 0.378 174.983 174.900 -0.492 0.000 0.976 232 G CA 0.199 45.167 45.100 -0.219 0.000 0.655 232 G HN 0.468 nan 8.290 nan 0.000 0.533 233 R N -1.348 118.878 120.500 -0.456 0.000 2.606 233 R HA 0.728 5.068 4.340 -0.000 0.000 0.249 233 R C -0.490 175.358 176.300 -0.753 0.000 1.127 233 R CA -0.628 55.105 56.100 -0.613 0.000 1.133 233 R CB 0.616 30.789 30.300 -0.211 0.000 1.243 233 R HN 0.226 nan 8.270 nan 0.000 0.558 234 Y N -0.731 119.572 120.300 0.005 0.000 2.536 234 Y HA 0.455 5.005 4.550 -0.000 0.000 0.347 234 Y C -0.064 175.809 175.900 -0.044 0.000 1.000 234 Y CA -1.151 56.932 58.100 -0.027 0.000 1.051 234 Y CB 1.671 40.087 38.460 -0.074 0.000 1.259 234 Y HN 0.252 nan 8.280 nan 0.000 0.468 235 V N -0.813 119.125 119.914 0.040 0.000 3.019 235 V HA 1.019 5.139 4.120 -0.000 0.000 0.317 235 V C -0.463 175.535 176.094 -0.161 0.000 1.094 235 V CA -1.281 60.961 62.300 -0.097 0.000 1.000 235 V CB 1.471 33.128 31.823 -0.277 0.000 1.060 235 V HN 0.953 nan 8.190 nan 0.000 0.443 236 A N 2.171 124.881 122.820 -0.183 0.000 2.318 236 A HA 0.832 5.152 4.320 -0.000 0.000 0.324 236 A C -0.654 176.777 177.584 -0.256 0.000 1.170 236 A CA -0.642 51.265 52.037 -0.216 0.000 0.810 236 A CB 1.400 20.283 19.000 -0.195 0.000 1.198 236 A HN 1.167 nan 8.150 nan 0.000 0.484 237 V N 1.911 121.680 119.914 -0.242 0.000 2.417 237 V HA 0.665 4.785 4.120 -0.000 0.000 0.291 237 V C 0.889 176.861 176.094 -0.204 0.000 1.024 237 V CA 0.358 62.545 62.300 -0.188 0.000 0.861 237 V CB 1.772 33.556 31.823 -0.066 0.000 0.985 237 V HN 1.186 nan 8.190 nan 0.000 0.436 238 G N 2.961 111.693 108.800 -0.113 0.000 4.379 238 G HA2 0.438 4.398 3.960 -0.000 0.000 0.290 238 G HA3 0.438 4.398 3.960 -0.000 0.000 0.290 238 G C 0.368 175.426 174.900 0.263 0.000 1.065 238 G CA 0.444 45.538 45.100 -0.010 0.000 0.833 238 G HN 0.909 nan 8.290 nan 0.000 0.512 239 A N 0.877 123.868 122.820 0.286 0.000 3.037 239 A HA 0.556 4.876 4.320 -0.000 0.000 0.272 239 A C 1.307 179.092 177.584 0.335 0.000 1.723 239 A CA -0.336 51.905 52.037 0.341 0.000 1.413 239 A CB -0.476 18.686 19.000 0.270 0.000 1.112 239 A HN 0.385 nan 8.150 nan 0.000 0.606 240 I N -0.108 120.663 120.570 0.334 0.000 2.162 240 I HA -0.106 4.064 4.170 -0.000 0.000 0.238 240 I C 0.786 176.846 176.117 -0.095 0.000 1.076 240 I CA 0.630 62.004 61.300 0.122 0.000 1.353 240 I CB -0.176 37.970 38.000 0.244 0.000 1.063 240 I HN 0.448 nan 8.210 nan 0.000 0.408 241 E N 1.485 121.647 120.200 -0.063 0.000 2.413 241 E HA -0.018 4.331 4.350 -0.000 0.000 0.263 241 E C -1.716 174.732 176.600 -0.253 0.000 1.015 241 E CA -0.949 55.269 56.400 -0.303 0.000 0.916 241 E CB 0.178 29.431 29.700 -0.745 0.000 0.947 241 E HN 0.031 nan 8.360 nan 0.000 0.440 242 P HA -0.275 nan 4.420 nan 0.000 0.216 242 P C 1.143 178.429 177.300 -0.023 0.000 1.150 242 P CA 1.338 64.381 63.100 -0.095 0.000 0.843 242 P CB 0.169 31.808 31.700 -0.101 0.000 0.787 243 Q N -1.477 118.231 119.800 -0.153 0.000 2.230 243 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 243 Q C 1.661 177.744 176.000 0.137 0.000 0.963 243 Q CA 1.554 57.326 55.803 -0.050 0.000 0.866 243 Q CB -1.159 27.519 28.738 -0.100 0.000 0.931 243 Q HN 0.222 nan 8.270 nan 0.000 0.452 244 F N 0.333 120.320 119.950 0.063 0.000 2.187 244 F HA 0.006 4.533 4.527 -0.000 0.000 0.295 244 F C 2.383 178.221 175.800 0.063 0.000 1.091 244 F CA -0.206 57.828 58.000 0.056 0.000 1.308 244 F CB -1.471 37.562 39.000 0.055 0.000 1.030 244 F HN 0.046 nan 8.300 nan 0.000 0.487 245 Y N 1.240 121.618 120.300 0.130 0.000 2.114 245 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 245 Y C 2.445 178.375 175.900 0.050 0.000 1.165 245 Y CA 1.748 59.877 58.100 0.047 0.000 1.148 245 Y CB -0.602 37.826 38.460 -0.052 0.000 0.972 245 Y HN -0.011 nan 8.280 nan 0.000 0.504 246 A N 0.291 123.162 122.820 0.085 0.000 1.933 246 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 246 A C 2.410 179.990 177.584 -0.007 0.000 1.175 246 A CA 1.900 53.942 52.037 0.009 0.000 0.628 246 A CB -1.477 17.566 19.000 0.072 0.000 0.814 246 A HN 0.622 nan 8.150 nan 0.000 0.444 247 A N -0.920 121.942 122.820 0.070 0.000 1.930 247 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 247 A C 2.235 179.892 177.584 0.122 0.000 1.175 247 A CA 1.689 53.790 52.037 0.107 0.000 0.627 247 A CB -0.502 18.591 19.000 0.156 0.000 0.815 247 A HN 0.555 nan 8.150 nan 0.000 0.443 248 M N -0.365 119.244 119.600 0.015 0.000 2.086 248 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 248 M C 1.985 178.243 176.300 -0.069 0.000 1.067 248 M CA 1.676 56.932 55.300 -0.074 0.000 1.116 248 M CB -0.361 32.100 32.600 -0.231 0.000 1.348 248 M HN 0.450 nan 8.290 nan 0.000 0.407 249 L N -0.216 120.869 121.223 -0.229 0.000 2.083 249 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 249 L C 2.723 179.549 176.870 -0.074 0.000 1.083 249 L CA 1.199 55.911 54.840 -0.215 0.000 0.752 249 L CB -1.054 40.846 42.059 -0.266 0.000 0.899 249 L HN 0.365 nan 8.230 nan 0.000 0.433 250 A N 0.504 123.314 122.820 -0.017 0.000 1.902 250 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 250 A C 2.421 180.020 177.584 0.025 0.000 1.181 250 A CA 1.664 53.706 52.037 0.009 0.000 0.623 250 A CB -1.236 17.777 19.000 0.022 0.000 0.818 250 A HN 0.433 nan 8.150 nan 0.000 0.443 251 G N -0.267 108.593 108.800 0.100 0.000 2.442 251 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 251 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 251 G C 1.420 176.329 174.900 0.015 0.000 1.141 251 G CA 1.030 46.114 45.100 -0.026 0.000 0.763 251 G HN 0.449 nan 8.290 nan 0.000 0.554 252 L N 0.305 121.574 121.223 0.077 0.000 2.478 252 L HA 0.192 4.532 4.340 -0.000 0.000 0.223 252 L C 2.114 178.985 176.870 0.002 0.000 1.140 252 L CA 0.444 55.250 54.840 -0.056 0.000 0.842 252 L CB -0.201 41.654 42.059 -0.340 0.000 0.953 252 L HN 0.395 nan 8.230 nan 0.000 0.452 253 G N 0.800 109.603 108.800 0.004 0.000 2.160 253 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 253 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 253 G C 0.135 175.025 174.900 -0.017 0.000 1.008 253 G CA -0.057 45.046 45.100 0.005 0.000 0.724 253 G HN 0.249 nan 8.290 nan 0.000 0.514 254 L N 0.396 121.589 121.223 -0.049 0.000 2.334 254 L HA 0.443 4.783 4.340 -0.000 0.000 0.277 254 L C 0.172 177.022 176.870 -0.035 0.000 1.075 254 L CA -0.927 53.881 54.840 -0.053 0.000 0.804 254 L CB 1.192 43.194 42.059 -0.095 0.000 1.174 254 L HN 0.100 nan 8.230 nan 0.000 0.438 255 D N 1.821 122.212 120.400 -0.016 0.000 2.316 255 D HA 0.232 4.872 4.640 -0.000 0.000 0.245 255 D C 0.734 177.039 176.300 0.009 0.000 1.171 255 D CA -0.144 53.855 54.000 -0.002 0.000 0.856 255 D CB 1.995 42.798 40.800 0.005 0.000 1.090 255 D HN 0.592 nan 8.370 nan 0.000 0.476 256 A N 4.028 126.858 122.820 0.017 0.000 2.024 256 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 256 A C 2.031 179.649 177.584 0.056 0.000 1.164 256 A CA 1.725 53.791 52.037 0.049 0.000 0.643 256 A CB -0.467 18.572 19.000 0.065 0.000 0.806 256 A HN 0.651 nan 8.150 nan 0.000 0.451 257 A N -0.862 121.981 122.820 0.038 0.000 2.121 257 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 257 A C 1.591 179.196 177.584 0.034 0.000 1.154 257 A CA 1.417 53.475 52.037 0.035 0.000 0.679 257 A CB -0.152 18.863 19.000 0.025 0.000 0.795 257 A HN 0.386 nan 8.150 nan 0.000 0.458 258 E N -0.788 119.432 120.200 0.034 0.000 2.501 258 E HA 0.301 4.651 4.350 -0.000 0.000 0.201 258 E C -0.174 176.451 176.600 0.043 0.000 1.016 258 E CA 0.087 56.505 56.400 0.031 0.000 0.920 258 E CB 0.247 29.959 29.700 0.021 0.000 1.023 258 E HN 0.535 nan 8.360 nan 0.000 0.474 259 L N 1.303 122.562 121.223 0.060 0.000 2.319 259 L HA 0.455 4.795 4.340 -0.000 0.000 0.267 259 L C -2.268 174.662 176.870 0.101 0.000 1.011 259 L CA -2.220 52.672 54.840 0.086 0.000 0.818 259 L CB 1.406 43.532 42.059 0.113 0.000 1.316 259 L HN -0.231 nan 8.230 nan 0.000 0.432 260 P HA 0.221 nan 4.420 nan 0.000 0.272 260 P C -2.538 174.843 177.300 0.135 0.000 1.223 260 P CA -1.167 62.001 63.100 0.114 0.000 0.784 260 P CB -0.315 31.466 31.700 0.135 0.000 0.923 261 P HA -0.017 nan 4.420 nan 0.000 0.267 261 P C 1.040 178.382 177.300 0.071 0.000 1.200 261 P CA 0.057 63.198 63.100 0.069 0.000 0.772 261 P CB 0.344 32.060 31.700 0.028 0.000 0.855 262 Q N 2.497 122.251 119.800 -0.076 0.000 2.133 262 Q HA -0.256 4.084 4.340 -0.000 0.000 0.208 262 Q C 0.319 176.417 176.000 0.164 0.000 0.991 262 Q CA 1.965 57.603 55.803 -0.275 0.000 0.867 262 Q CB -0.210 27.976 28.738 -0.921 0.000 0.911 262 Q HN 0.507 nan 8.270 nan 0.000 0.417 263 N N 0.500 119.249 118.700 0.082 0.000 2.273 263 N HA 0.028 4.768 4.740 -0.000 0.000 0.231 263 N C -1.139 174.336 175.510 -0.058 0.000 1.134 263 N CA -0.197 52.936 53.050 0.138 0.000 0.856 263 N CB 0.590 39.092 38.487 0.024 0.000 1.068 263 N HN 0.081 nan 8.380 nan 0.000 0.510 264 D N 1.246 121.618 120.400 -0.046 0.000 2.483 264 D HA 0.117 4.757 4.640 -0.000 0.000 0.220 264 D C 0.942 177.019 176.300 -0.372 0.000 1.173 264 D CA -0.101 53.810 54.000 -0.149 0.000 0.964 264 D CB 0.335 41.109 40.800 -0.044 0.000 1.046 264 D HN 0.112 nan 8.370 nan 0.000 0.517 265 R N 2.217 122.297 120.500 -0.700 0.000 2.152 265 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 265 R C 1.889 177.886 176.300 -0.505 0.000 1.117 265 R CA 1.143 56.527 56.100 -1.192 0.000 0.981 265 R CB -0.013 29.582 30.300 -1.176 0.000 0.870 265 R HN 0.405 nan 8.270 nan 0.000 0.451 266 A N 1.080 123.731 122.820 -0.283 0.000 2.019 266 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 266 A C 1.730 179.290 177.584 -0.040 0.000 1.164 266 A CA 1.167 53.127 52.037 -0.128 0.000 0.644 266 A CB -0.119 18.823 19.000 -0.096 0.000 0.805 266 A HN 0.230 nan 8.150 nan 0.000 0.449 267 R N -2.472 118.020 120.500 -0.012 0.000 2.509 267 R HA 0.057 4.397 4.340 -0.000 0.000 0.300 267 R C 0.915 177.352 176.300 0.229 0.000 0.985 267 R CA -0.401 55.752 56.100 0.088 0.000 1.092 267 R CB 0.032 30.379 30.300 0.078 0.000 1.237 267 R HN 0.592 nan 8.270 nan 0.000 0.546 268 W N 1.846 123.160 121.300 0.025 0.000 2.321 268 W HA -0.053 4.607 4.660 -0.000 0.000 0.306 268 W C -0.958 175.584 176.519 0.038 0.000 1.217 268 W CA 0.918 58.283 57.345 0.034 0.000 1.257 268 W CB -1.641 27.822 29.460 0.005 0.000 1.145 268 W HN 0.065 nan 8.180 nan 0.000 0.509 269 P HA -0.208 nan 4.420 nan 0.000 0.215 269 P C 1.508 178.883 177.300 0.124 0.000 1.153 269 P CA 2.394 65.579 63.100 0.142 0.000 0.853 269 P CB -0.141 31.621 31.700 0.103 0.000 0.788 270 E N -0.600 119.676 120.200 0.127 0.000 2.051 270 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 270 E C 1.879 178.552 176.600 0.123 0.000 0.991 270 E CA 0.800 57.265 56.400 0.108 0.000 0.799 270 E CB -0.558 29.200 29.700 0.096 0.000 0.748 270 E HN -0.020 nan 8.360 nan 0.000 0.449 271 L N 1.705 123.028 121.223 0.165 0.000 2.012 271 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 271 L C 2.557 179.517 176.870 0.151 0.000 1.073 271 L CA 2.047 56.992 54.840 0.175 0.000 0.748 271 L CB -0.604 41.603 42.059 0.247 0.000 0.891 271 L HN 0.052 nan 8.230 nan 0.000 0.431 272 R N -0.749 119.840 120.500 0.148 0.000 2.096 272 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 272 R C 2.124 178.537 176.300 0.189 0.000 1.127 272 R CA 1.390 57.598 56.100 0.180 0.000 0.968 272 R CB -0.376 29.984 30.300 0.100 0.000 0.861 272 R HN 0.525 nan 8.270 nan 0.000 0.440 273 A N 0.868 123.765 122.820 0.129 0.000 1.930 273 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 273 A C 2.154 179.792 177.584 0.089 0.000 1.175 273 A CA 1.075 53.175 52.037 0.106 0.000 0.627 273 A CB -0.412 18.634 19.000 0.078 0.000 0.815 273 A HN 0.335 nan 8.150 nan 0.000 0.443 274 L N -0.628 120.638 121.223 0.073 0.000 2.056 274 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 274 L C 2.524 179.381 176.870 -0.021 0.000 1.078 274 L CA 1.011 55.869 54.840 0.030 0.000 0.749 274 L CB -0.493 41.584 42.059 0.030 0.000 0.901 274 L HN 0.366 nan 8.230 nan 0.000 0.433 275 L N -1.057 120.155 121.223 -0.018 0.000 2.083 275 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 275 L C 2.614 179.426 176.870 -0.097 0.000 1.083 275 L CA 1.332 56.066 54.840 -0.176 0.000 0.752 275 L CB -1.000 40.924 42.059 -0.225 0.000 0.899 275 L HN 0.263 nan 8.230 nan 0.000 0.433 276 T N -0.731 113.929 114.554 0.177 0.000 2.684 276 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 276 T C 1.792 176.588 174.700 0.161 0.000 1.036 276 T CA 1.781 64.065 62.100 0.307 0.000 1.148 276 T CB -0.172 68.861 68.868 0.275 0.000 0.863 276 T HN 0.406 nan 8.240 nan 0.000 0.436 277 E N 0.782 121.029 120.200 0.078 0.000 2.077 277 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 277 E C 2.357 178.966 176.600 0.014 0.000 0.989 277 E CA 1.067 57.494 56.400 0.045 0.000 0.800 277 E CB -0.205 29.509 29.700 0.024 0.000 0.746 277 E HN 0.480 nan 8.360 nan 0.000 0.452 278 A N 0.421 123.190 122.820 -0.085 0.000 1.855 278 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 278 A C 1.899 179.385 177.584 -0.163 0.000 1.191 278 A CA 1.292 53.214 52.037 -0.192 0.000 0.613 278 A CB -0.913 17.818 19.000 -0.449 0.000 0.829 278 A HN 0.348 nan 8.150 nan 0.000 0.442 279 F N 0.239 120.080 119.950 -0.182 0.000 2.234 279 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 279 F C 2.701 178.647 175.800 0.244 0.000 1.087 279 F CA 0.723 58.616 58.000 -0.177 0.000 1.340 279 F CB -0.495 38.315 39.000 -0.317 0.000 1.031 279 F HN 0.248 nan 8.300 nan 0.000 0.500 280 A N -0.478 122.527 122.820 0.310 0.000 2.121 280 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 280 A C 2.245 179.922 177.584 0.155 0.000 1.154 280 A CA 1.501 53.671 52.037 0.222 0.000 0.679 280 A CB -0.995 18.088 19.000 0.138 0.000 0.795 280 A HN 0.377 nan 8.150 nan 0.000 0.458 281 S N -1.234 114.561 115.700 0.158 0.000 2.522 281 S HA 0.042 4.512 4.470 -0.000 0.000 0.227 281 S C 0.679 175.032 174.600 -0.413 0.000 0.986 281 S CA 0.122 58.267 58.200 -0.091 0.000 0.929 281 S CB -0.246 62.893 63.200 -0.102 0.000 0.769 281 S HN 0.623 nan 8.310 nan 0.000 0.529 282 H N 0.933 120.049 119.070 0.077 0.000 2.985 282 H HA 0.393 4.949 4.556 -0.000 0.000 0.360 282 H C -1.208 174.060 175.328 -0.101 0.000 1.221 282 H CA -0.652 55.211 56.048 -0.308 0.000 1.121 282 H CB 1.380 30.419 29.762 -1.205 0.000 1.854 282 H HN 0.369 nan 8.280 nan 0.000 0.551 283 D N -0.376 120.006 120.400 -0.030 0.000 2.371 283 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 283 D C 1.320 177.688 176.300 0.114 0.000 1.218 283 D CA -0.545 53.481 54.000 0.044 0.000 0.945 283 D CB 1.292 42.096 40.800 0.007 0.000 1.137 283 D HN 0.518 nan 8.370 nan 0.000 0.464 284 R N 0.068 120.662 120.500 0.158 0.000 2.091 284 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 284 R C 0.711 177.123 176.300 0.188 0.000 1.136 284 R CA 1.718 57.959 56.100 0.234 0.000 0.959 284 R CB -0.264 30.102 30.300 0.111 0.000 0.856 284 R HN 0.481 nan 8.270 nan 0.000 0.437 285 D N -0.527 119.921 120.400 0.080 0.000 2.219 285 D HA -0.164 4.475 4.640 -0.000 0.000 0.205 285 D C 1.735 178.033 176.300 -0.003 0.000 0.970 285 D CA 0.839 54.862 54.000 0.039 0.000 0.851 285 D CB -0.438 40.363 40.800 0.002 0.000 0.943 285 D HN 0.389 nan 8.370 nan 0.000 0.488 286 H N -0.550 118.411 119.070 -0.183 0.000 2.289 286 H HA -0.167 4.389 4.556 -0.000 0.000 0.296 286 H C 1.774 176.902 175.328 -0.334 0.000 1.091 286 H CA 1.738 57.552 56.048 -0.389 0.000 1.274 286 H CB -0.414 28.950 29.762 -0.663 0.000 1.364 286 H HN 0.298 nan 8.280 nan 0.000 0.490 287 W N 0.471 121.917 121.300 0.244 0.000 2.388 287 W HA -0.012 4.648 4.660 -0.000 0.000 0.294 287 W C 2.954 179.605 176.519 0.221 0.000 1.212 287 W CA 0.495 58.013 57.345 0.289 0.000 1.271 287 W CB -0.524 29.248 29.460 0.520 0.000 1.126 287 W HN 0.276 nan 8.180 nan 0.000 0.535 288 G N 0.453 109.448 108.800 0.325 0.000 2.448 288 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 288 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 288 G C 1.594 176.551 174.900 0.096 0.000 1.127 288 G CA 1.254 46.474 45.100 0.199 0.000 0.766 288 G HN 0.318 nan 8.290 nan 0.000 0.552 289 A N -0.004 122.809 122.820 -0.011 0.000 1.878 289 A HA 0.259 4.579 4.320 -0.000 0.000 0.213 289 A C 2.540 180.035 177.584 -0.149 0.000 1.192 289 A CA 1.283 53.260 52.037 -0.101 0.000 0.619 289 A CB -0.525 18.363 19.000 -0.188 0.000 0.837 289 A HN 0.183 nan 8.150 nan 0.000 0.446 290 V N -1.011 118.752 119.914 -0.252 0.000 2.278 290 V HA -0.275 3.845 4.120 -0.000 0.000 0.251 290 V C 1.863 177.731 176.094 -0.376 0.000 1.062 290 V CA 2.093 64.151 62.300 -0.403 0.000 1.038 290 V CB -0.840 30.651 31.823 -0.552 0.000 0.646 290 V HN 0.602 nan 8.190 nan 0.000 0.447 291 F N -0.702 119.295 119.950 0.078 0.000 2.639 291 F HA 0.452 4.979 4.527 -0.000 0.000 0.300 291 F C 1.876 177.682 175.800 0.010 0.000 1.109 291 F CA 0.348 58.381 58.000 0.056 0.000 1.335 291 F CB -0.290 38.766 39.000 0.094 0.000 1.014 291 F HN 0.029 nan 8.300 nan 0.000 0.537 292 A N 0.543 123.429 122.820 0.109 0.000 1.940 292 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 292 A C 2.037 179.639 177.584 0.030 0.000 1.176 292 A CA 1.829 53.898 52.037 0.054 0.000 0.631 292 A CB -0.317 18.689 19.000 0.011 0.000 0.814 292 A HN 0.381 nan 8.150 nan 0.000 0.446 293 N N -0.948 117.768 118.700 0.027 0.000 2.227 293 N HA 0.041 4.781 4.740 -0.000 0.000 0.196 293 N C 0.681 176.199 175.510 0.013 0.000 1.142 293 N CA 0.714 53.770 53.050 0.009 0.000 0.887 293 N CB 0.420 38.907 38.487 -0.001 0.000 1.022 293 N HN 0.562 nan 8.380 nan 0.000 0.500 294 S N 0.177 115.908 115.700 0.051 0.000 2.686 294 S HA 0.220 4.690 4.470 -0.000 0.000 0.270 294 S C 0.387 174.986 174.600 -0.001 0.000 1.194 294 S CA -0.254 57.978 58.200 0.055 0.000 0.990 294 S CB 1.349 64.623 63.200 0.123 0.000 1.029 294 S HN -0.120 nan 8.310 nan 0.000 0.560 295 D N 0.442 120.829 120.400 -0.022 0.000 2.370 295 D HA 0.356 4.995 4.640 -0.000 0.000 0.230 295 D C 1.459 177.648 176.300 -0.186 0.000 1.143 295 D CA 0.309 54.194 54.000 -0.192 0.000 0.834 295 D CB -0.181 40.520 40.800 -0.166 0.000 0.944 295 D HN 0.622 nan 8.370 nan 0.000 0.504 296 A N -0.527 122.275 122.820 -0.031 0.000 2.172 296 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 296 A C 1.464 178.961 177.584 -0.144 0.000 1.154 296 A CA 0.195 52.209 52.037 -0.038 0.000 0.701 296 A CB -0.471 18.520 19.000 -0.015 0.000 0.789 296 A HN 0.415 nan 8.150 nan 0.000 0.465 297 C N -1.314 117.873 119.300 -0.188 0.000 4.350 297 C HA -0.096 4.364 4.460 -0.000 0.000 0.302 297 C C 0.257 175.124 174.990 -0.205 0.000 1.390 297 C CA 0.145 59.060 59.018 -0.172 0.000 2.016 297 C CB -3.274 24.417 27.740 -0.082 0.000 1.271 297 C HN 0.412 nan 8.230 nan 0.000 0.760 298 V N 1.158 120.906 119.914 -0.276 0.000 2.407 298 V HA 0.744 4.864 4.120 -0.000 0.000 0.291 298 V C 0.419 176.435 176.094 -0.130 0.000 1.018 298 V CA 0.300 62.397 62.300 -0.338 0.000 0.842 298 V CB 2.212 33.550 31.823 -0.809 0.000 0.996 298 V HN 0.588 nan 8.190 nan 0.000 0.426 299 T N 3.496 117.986 114.554 -0.106 0.000 2.893 299 T HA 0.658 5.008 4.350 -0.000 0.000 0.291 299 T C -3.056 171.636 174.700 -0.012 0.000 1.028 299 T CA -2.355 59.724 62.100 -0.034 0.000 0.995 299 T CB 2.400 71.232 68.868 -0.060 0.000 1.051 299 T HN 0.416 nan 8.240 nan 0.000 0.470 300 P HA 0.226 nan 4.420 nan 0.000 0.271 300 P C -0.478 176.824 177.300 0.003 0.000 1.216 300 P CA -0.374 62.749 63.100 0.039 0.000 0.771 300 P CB 0.653 32.382 31.700 0.048 0.000 0.864 301 V N 5.350 125.274 119.914 0.017 0.000 2.372 301 V HA 0.115 4.235 4.120 -0.000 0.000 0.261 301 V C 0.764 176.854 176.094 -0.007 0.000 1.055 301 V CA -0.168 62.132 62.300 -0.001 0.000 0.930 301 V CB -0.137 31.711 31.823 0.041 0.000 1.031 301 V HN 0.371 nan 8.190 nan 0.000 0.479 302 L N 4.558 125.752 121.223 -0.049 0.000 2.312 302 L HA 0.667 5.007 4.340 -0.000 0.000 0.281 302 L C 0.792 177.585 176.870 -0.128 0.000 1.070 302 L CA -0.279 54.520 54.840 -0.069 0.000 0.805 302 L CB 1.316 43.331 42.059 -0.073 0.000 1.174 302 L HN 0.662 nan 8.230 nan 0.000 0.434 303 A N 2.400 125.153 122.820 -0.111 0.000 2.332 303 A HA 0.337 4.657 4.320 -0.000 0.000 0.258 303 A C 0.846 178.345 177.584 -0.142 0.000 1.087 303 A CA -0.188 51.744 52.037 -0.174 0.000 0.802 303 A CB 0.098 19.057 19.000 -0.068 0.000 1.042 303 A HN 0.715 nan 8.150 nan 0.000 0.489 304 F N 1.251 121.188 119.950 -0.022 0.000 2.115 304 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 304 F C 2.529 178.288 175.800 -0.068 0.000 1.092 304 F CA 1.824 59.791 58.000 -0.055 0.000 1.245 304 F CB -0.419 38.565 39.000 -0.028 0.000 0.995 304 F HN 0.672 nan 8.300 nan 0.000 0.481 305 G N -0.650 108.256 108.800 0.177 0.000 2.509 305 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 305 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 305 G C 1.306 176.278 174.900 0.120 0.000 1.124 305 G CA 0.622 45.809 45.100 0.145 0.000 0.776 305 G HN 0.409 nan 8.290 nan 0.000 0.547 306 E N -0.242 119.960 120.200 0.003 0.000 2.452 306 E HA 0.094 4.444 4.350 -0.000 0.000 0.197 306 E C 2.367 178.827 176.600 -0.233 0.000 1.022 306 E CA -0.219 56.112 56.400 -0.115 0.000 0.890 306 E CB 0.397 30.044 29.700 -0.090 0.000 0.918 306 E HN 0.270 nan 8.360 nan 0.000 0.496 307 V N 2.835 122.634 119.914 -0.192 0.000 2.332 307 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 307 V C 2.506 178.364 176.094 -0.393 0.000 1.055 307 V CA 2.196 64.343 62.300 -0.256 0.000 1.038 307 V CB -0.881 30.773 31.823 -0.282 0.000 0.651 307 V HN 0.530 nan 8.190 nan 0.000 0.450 308 H N -0.181 118.522 119.070 -0.611 0.000 2.543 308 H HA -0.068 4.488 4.556 -0.000 0.000 0.286 308 H C 1.452 176.521 175.328 -0.431 0.000 1.037 308 H CA 1.400 56.950 56.048 -0.830 0.000 1.250 308 H CB -0.391 28.450 29.762 -1.535 0.000 1.373 308 H HN 0.415 nan 8.280 nan 0.000 0.580 309 N N 0.860 119.088 118.700 -0.787 0.000 2.353 309 N HA -0.043 4.697 4.740 -0.000 0.000 0.185 309 N C 0.093 175.461 175.510 -0.238 0.000 1.098 309 N CA 0.215 52.981 53.050 -0.474 0.000 0.872 309 N CB 0.303 38.520 38.487 -0.451 0.000 0.970 309 N HN 0.424 nan 8.380 nan 0.000 0.467 310 E N 1.429 121.509 120.200 -0.199 0.000 2.223 310 E HA 0.164 4.514 4.350 -0.000 0.000 0.282 310 E C -1.718 174.859 176.600 -0.040 0.000 1.046 310 E CA -2.045 54.300 56.400 -0.091 0.000 0.857 310 E CB 1.302 30.968 29.700 -0.057 0.000 1.055 310 E HN -0.018 nan 8.360 nan 0.000 0.409 311 P HA -0.181 nan 4.420 nan 0.000 0.216 311 P C 0.694 178.021 177.300 0.044 0.000 1.153 311 P CA 1.373 64.480 63.100 0.011 0.000 0.858 311 P CB 0.039 31.752 31.700 0.021 0.000 0.789 312 H N -0.782 118.282 119.070 -0.012 0.000 2.387 312 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 312 H C 1.808 177.146 175.328 0.016 0.000 1.090 312 H CA 1.322 57.371 56.048 0.002 0.000 1.332 312 H CB -0.579 29.184 29.762 0.002 0.000 1.386 312 H HN -0.067 nan 8.280 nan 0.000 0.516 313 I N 0.119 120.723 120.570 0.056 0.000 2.202 313 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 313 I C 2.348 178.469 176.117 0.007 0.000 1.091 313 I CA 1.146 62.475 61.300 0.048 0.000 1.368 313 I CB -0.934 37.112 38.000 0.077 0.000 1.058 313 I HN 0.350 nan 8.210 nan 0.000 0.410 314 I N 0.565 121.121 120.570 -0.024 0.000 2.179 314 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 314 I C 2.505 178.620 176.117 -0.004 0.000 1.088 314 I CA 1.266 62.559 61.300 -0.011 0.000 1.357 314 I CB -0.340 37.649 38.000 -0.018 0.000 1.051 314 I HN 0.179 nan 8.210 nan 0.000 0.409 315 E N 0.717 120.890 120.200 -0.045 0.000 2.208 315 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 315 E C 2.015 178.570 176.600 -0.075 0.000 0.988 315 E CA 0.911 57.280 56.400 -0.052 0.000 0.828 315 E CB -0.067 29.598 29.700 -0.058 0.000 0.763 315 E HN 0.494 nan 8.360 nan 0.000 0.478 316 R N 0.552 120.974 120.500 -0.131 0.000 2.334 316 R HA 0.117 4.457 4.340 -0.000 0.000 0.216 316 R C -0.037 176.238 176.300 -0.041 0.000 0.905 316 R CA -0.123 55.903 56.100 -0.123 0.000 1.064 316 R CB 0.172 30.331 30.300 -0.235 0.000 1.046 316 R HN 0.052 nan 8.270 nan 0.000 0.508 317 N N 1.021 119.729 118.700 0.014 0.000 2.725 317 N HA -0.169 4.571 4.740 -0.000 0.000 0.251 317 N C 0.154 175.707 175.510 0.072 0.000 1.031 317 N CA 1.028 54.130 53.050 0.087 0.000 0.720 317 N CB -0.950 37.591 38.487 0.090 0.000 0.930 317 N HN 0.215 nan 8.380 nan 0.000 0.543 318 T N -1.061 113.517 114.554 0.040 0.000 2.915 318 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 318 T C 0.574 175.096 174.700 -0.295 0.000 1.071 318 T CA 1.146 63.177 62.100 -0.114 0.000 1.132 318 T CB 0.018 68.829 68.868 -0.096 0.000 0.878 318 T HN 0.301 nan 8.240 nan 0.000 0.479 319 F N -0.025 120.021 119.950 0.161 0.000 2.598 319 F HA 0.575 5.102 4.527 -0.000 0.000 0.327 319 F C -0.359 175.724 175.800 0.472 0.000 1.057 319 F CA -1.889 56.279 58.000 0.280 0.000 0.957 319 F CB 1.414 40.561 39.000 0.244 0.000 1.278 319 F HN 0.065 nan 8.300 nan 0.000 0.484 320 Y N -1.806 118.812 120.300 0.531 0.000 2.605 320 Y HA 0.665 5.214 4.550 -0.000 0.000 0.343 320 Y C -1.028 174.957 175.900 0.142 0.000 1.036 320 Y CA -1.397 56.905 58.100 0.337 0.000 1.065 320 Y CB 1.036 39.579 38.460 0.139 0.000 1.288 320 Y HN 0.513 nan 8.280 nan 0.000 0.481 321 E N 1.426 121.470 120.200 -0.259 0.000 2.200 321 E HA 0.600 4.950 4.350 -0.000 0.000 0.283 321 E C -1.157 175.259 176.600 -0.307 0.000 1.015 321 E CA -0.757 55.230 56.400 -0.689 0.000 0.819 321 E CB 1.365 30.560 29.700 -0.841 0.000 1.081 321 E HN 0.744 nan 8.360 nan 0.000 0.397 322 A N 4.550 127.156 122.820 -0.357 0.000 2.335 322 A HA 0.251 4.571 4.320 -0.000 0.000 0.304 322 A C -0.060 177.432 177.584 -0.153 0.000 1.118 322 A CA -0.753 51.202 52.037 -0.138 0.000 0.757 322 A CB 0.702 19.678 19.000 -0.040 0.000 1.188 322 A HN 0.718 nan 8.150 nan 0.000 0.460 323 N N 1.195 119.831 118.700 -0.106 0.000 2.903 323 N HA -0.234 4.506 4.740 -0.000 0.000 0.308 323 N C 1.267 176.704 175.510 -0.121 0.000 1.106 323 N CA 2.304 55.296 53.050 -0.098 0.000 0.793 323 N CB -0.248 38.206 38.487 -0.055 0.000 0.996 323 N HN 1.795 nan 8.380 nan 0.000 0.601 324 G N 0.121 108.825 108.800 -0.159 0.000 2.376 324 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.208 324 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.208 324 G C 0.260 175.046 174.900 -0.190 0.000 1.032 324 G CA 0.273 45.287 45.100 -0.144 0.000 0.641 324 G HN 1.034 nan 8.290 nan 0.000 0.503 325 G N -1.632 107.018 108.800 -0.251 0.000 2.645 325 G HA2 0.513 4.473 3.960 -0.000 0.000 0.292 325 G HA3 0.513 4.473 3.960 -0.000 0.000 0.292 325 G C -1.344 173.336 174.900 -0.367 0.000 1.415 325 G CA -0.490 44.455 45.100 -0.259 0.000 0.785 325 G HN 0.472 nan 8.290 nan 0.000 0.483 326 W N 0.339 121.523 121.300 -0.194 0.000 2.313 326 W HA 0.642 5.302 4.660 -0.000 0.000 0.328 326 W C 0.250 176.675 176.519 -0.157 0.000 1.197 326 W CA -0.196 57.034 57.345 -0.192 0.000 1.235 326 W CB 1.218 30.546 29.460 -0.221 0.000 1.158 326 W HN 0.193 nan 8.180 nan 0.000 0.578 327 Q N 2.974 122.762 119.800 -0.021 0.000 2.423 327 Q HA 0.374 4.714 4.340 -0.000 0.000 0.278 327 Q C -2.503 173.582 176.000 0.142 0.000 1.097 327 Q CA -2.296 53.482 55.803 -0.042 0.000 0.809 327 Q CB 1.829 30.317 28.738 -0.416 0.000 1.391 327 Q HN 0.127 nan 8.270 nan 0.000 0.428 328 P HA 0.127 nan 4.420 nan 0.000 0.276 328 P C -0.198 177.148 177.300 0.076 0.000 1.230 328 P CA -0.259 62.695 63.100 -0.244 0.000 0.776 328 P CB 0.585 32.124 31.700 -0.270 0.000 0.888 329 M N 4.080 123.715 119.600 0.059 0.000 2.207 329 M HA 0.191 4.670 4.480 -0.000 0.000 0.311 329 M C -1.859 174.447 176.300 0.010 0.000 1.127 329 M CA -1.651 53.718 55.300 0.115 0.000 1.181 329 M CB -1.192 31.448 32.600 0.067 0.000 1.409 329 M HN 0.194 nan 8.290 nan 0.000 0.461 330 P HA 0.192 nan 4.420 nan 0.000 0.266 330 P C -1.317 175.981 177.300 -0.004 0.000 1.193 330 P CA 0.079 63.182 63.100 0.004 0.000 0.770 330 P CB 0.482 32.195 31.700 0.021 0.000 0.836 331 A N 3.200 126.017 122.820 -0.004 0.000 2.539 331 A HA 0.758 5.078 4.320 -0.000 0.000 0.296 331 A C -2.463 175.118 177.584 -0.006 0.000 1.073 331 A CA -1.207 50.809 52.037 -0.034 0.000 0.700 331 A CB 0.601 19.568 19.000 -0.054 0.000 1.296 331 A HN 0.406 nan 8.150 nan 0.000 0.405 332 P HA 0.450 nan 4.420 nan 0.000 0.302 332 P C -0.780 176.291 177.300 -0.381 0.000 1.301 332 P CA -0.344 62.614 63.100 -0.236 0.000 0.745 332 P CB 0.533 32.042 31.700 -0.317 0.000 1.331 333 R N -1.224 118.994 120.500 -0.470 0.000 2.604 333 R HA 0.612 4.952 4.340 -0.000 0.000 0.287 333 R C -0.741 175.155 176.300 -0.673 0.000 0.970 333 R CA -0.452 55.415 56.100 -0.388 0.000 0.946 333 R CB 0.852 31.052 30.300 -0.166 0.000 1.127 333 R HN 0.352 nan 8.270 nan 0.000 0.473 334 F N -0.061 119.878 119.950 -0.019 0.000 2.507 334 F HA 0.171 4.698 4.527 -0.000 0.000 0.325 334 F C 1.435 177.227 175.800 -0.012 0.000 1.116 334 F CA -0.674 57.317 58.000 -0.015 0.000 0.930 334 F CB 2.165 41.155 39.000 -0.017 0.000 1.146 334 F HN 0.609 nan 8.300 nan 0.000 0.447 335 S N 2.117 117.890 115.700 0.122 0.000 2.406 335 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 335 S C 1.855 176.500 174.600 0.076 0.000 1.020 335 S CA 1.070 59.312 58.200 0.070 0.000 0.965 335 S CB -0.075 63.149 63.200 0.041 0.000 0.798 335 S HN 0.772 nan 8.310 nan 0.000 0.488 336 R N 1.404 121.962 120.500 0.096 0.000 2.121 336 R HA 0.084 4.424 4.340 -0.000 0.000 0.206 336 R C 0.191 176.520 176.300 0.048 0.000 1.094 336 R CA 1.259 57.395 56.100 0.059 0.000 1.055 336 R CB 0.034 30.361 30.300 0.046 0.000 0.964 336 R HN 0.510 nan 8.270 nan 0.000 0.473 337 T N -0.338 114.248 114.554 0.053 0.000 3.355 337 T HA 0.631 4.981 4.350 -0.000 0.000 0.376 337 T C -0.166 174.551 174.700 0.029 0.000 1.683 337 T CA -0.655 61.444 62.100 -0.001 0.000 1.269 337 T CB 1.179 69.999 68.868 -0.079 0.000 1.158 337 T HN 0.277 nan 8.240 nan 0.000 0.703 338 A N 2.581 125.440 122.820 0.065 0.000 2.425 338 A HA 0.587 4.907 4.320 -0.000 0.000 0.249 338 A C 0.747 178.362 177.584 0.051 0.000 1.084 338 A CA -0.571 51.528 52.037 0.103 0.000 0.781 338 A CB 0.115 19.157 19.000 0.069 0.000 1.019 338 A HN 0.721 nan 8.150 nan 0.000 0.490 339 S N 1.227 116.977 115.700 0.084 0.000 2.576 339 S HA 0.322 4.792 4.470 -0.000 0.000 0.276 339 S C 0.724 175.320 174.600 -0.007 0.000 1.339 339 S CA -0.438 57.777 58.200 0.025 0.000 1.039 339 S CB 0.702 63.934 63.200 0.055 0.000 0.902 339 S HN 0.764 nan 8.310 nan 0.000 0.516 340 S N 1.618 117.296 115.700 -0.037 0.000 2.632 340 S HA 0.187 4.657 4.470 -0.000 0.000 0.267 340 S C 0.206 174.739 174.600 -0.113 0.000 1.276 340 S CA -0.722 57.441 58.200 -0.062 0.000 0.998 340 S CB 0.450 63.613 63.200 -0.061 0.000 0.953 340 S HN 0.748 nan 8.310 nan 0.000 0.547 341 Q N 1.242 120.947 119.800 -0.158 0.000 2.330 341 Q HA 0.108 4.448 4.340 -0.000 0.000 0.279 341 Q C -2.405 173.402 176.000 -0.321 0.000 1.024 341 Q CA -1.277 54.335 55.803 -0.319 0.000 0.900 341 Q CB 0.072 28.617 28.738 -0.322 0.000 1.221 341 Q HN 0.224 nan 8.270 nan 0.000 0.396 342 P HA -0.024 nan 4.420 nan 0.000 0.266 342 P C -1.153 176.058 177.300 -0.150 0.000 1.195 342 P CA 0.397 63.366 63.100 -0.219 0.000 0.768 342 P CB 0.513 32.131 31.700 -0.137 0.000 0.838 343 R N 4.310 124.769 120.500 -0.069 0.000 2.340 343 R HA 0.277 4.617 4.340 -0.000 0.000 0.300 343 R C -1.903 174.398 176.300 0.002 0.000 1.069 343 R CA -1.578 54.502 56.100 -0.034 0.000 0.984 343 R CB 0.027 30.311 30.300 -0.026 0.000 1.003 343 R HN 0.440 nan 8.270 nan 0.000 0.459 344 P HA 0.096 nan 4.420 nan 0.000 0.272 344 P C -2.509 174.803 177.300 0.020 0.000 1.240 344 P CA -1.471 61.652 63.100 0.039 0.000 0.791 344 P CB -0.221 31.501 31.700 0.037 0.000 0.978 345 P HA 0.123 nan 4.420 nan 0.000 0.264 345 P C -0.461 176.841 177.300 0.003 0.000 1.183 345 P CA 0.705 63.812 63.100 0.011 0.000 0.763 345 P CB 0.067 31.775 31.700 0.013 0.000 0.807 346 A N 2.968 125.786 122.820 -0.003 0.000 2.344 346 A HA 0.785 5.105 4.320 -0.000 0.000 0.307 346 A C -0.169 177.409 177.584 -0.010 0.000 1.151 346 A CA -0.539 51.494 52.037 -0.008 0.000 0.842 346 A CB 0.803 19.796 19.000 -0.012 0.000 1.350 346 A HN 0.546 nan 8.150 nan 0.000 0.459 347 A N -0.008 122.804 122.820 -0.012 0.000 2.507 347 A HA 0.464 4.784 4.320 -0.000 0.000 0.235 347 A C 0.745 178.318 177.584 -0.018 0.000 1.070 347 A CA 0.569 52.598 52.037 -0.013 0.000 0.768 347 A CB -0.680 18.311 19.000 -0.014 0.000 1.011 347 A HN 0.908 nan 8.150 nan 0.000 0.502 348 T N 1.271 115.814 114.554 -0.018 0.000 2.946 348 T HA 0.361 4.711 4.350 -0.000 0.000 0.311 348 T C 0.422 175.104 174.700 -0.031 0.000 1.063 348 T CA 1.215 63.301 62.100 -0.024 0.000 1.139 348 T CB -0.451 68.406 68.868 -0.019 0.000 0.994 348 T HN 0.644 nan 8.240 nan 0.000 0.547 349 I N -0.414 120.130 120.570 -0.043 0.000 2.910 349 I HA 0.645 4.815 4.170 -0.000 0.000 0.310 349 I C -0.180 175.903 176.117 -0.056 0.000 1.043 349 I CA -1.359 59.911 61.300 -0.050 0.000 1.053 349 I CB 1.369 39.332 38.000 -0.061 0.000 1.242 349 I HN 0.247 nan 8.210 nan 0.000 0.452 350 D N 2.552 122.920 120.400 -0.053 0.000 2.450 350 D HA 0.037 4.677 4.640 -0.000 0.000 0.247 350 D C 0.822 177.079 176.300 -0.073 0.000 1.162 350 D CA 0.355 54.324 54.000 -0.052 0.000 0.879 350 D CB 0.944 41.718 40.800 -0.042 0.000 1.163 350 D HN 0.714 nan 8.370 nan 0.000 0.472 351 I N 3.439 123.967 120.570 -0.070 0.000 2.286 351 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 351 I C 1.647 177.709 176.117 -0.091 0.000 1.115 351 I CA 1.161 62.407 61.300 -0.090 0.000 1.392 351 I CB 0.186 38.146 38.000 -0.066 0.000 1.065 351 I HN 0.436 nan 8.210 nan 0.000 0.418 352 E N 1.031 121.194 120.200 -0.061 0.000 2.204 352 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 352 E C 2.234 178.799 176.600 -0.057 0.000 0.989 352 E CA 1.151 57.522 56.400 -0.048 0.000 0.824 352 E CB -0.287 29.396 29.700 -0.029 0.000 0.756 352 E HN 0.661 nan 8.360 nan 0.000 0.477 353 A N 1.337 124.116 122.820 -0.068 0.000 1.902 353 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 353 A C 2.621 180.139 177.584 -0.110 0.000 1.181 353 A CA 1.344 53.338 52.037 -0.072 0.000 0.623 353 A CB -0.681 18.278 19.000 -0.068 0.000 0.818 353 A HN 0.119 nan 8.150 nan 0.000 0.443 354 V N 0.128 119.936 119.914 -0.177 0.000 2.261 354 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 354 V C 2.570 178.490 176.094 -0.289 0.000 1.047 354 V CA 1.984 64.086 62.300 -0.329 0.000 1.015 354 V CB -0.875 30.669 31.823 -0.463 0.000 0.642 354 V HN 0.572 nan 8.190 nan 0.000 0.446 355 L N -0.275 120.848 121.223 -0.167 0.000 2.043 355 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 355 L C 2.654 179.539 176.870 0.024 0.000 1.075 355 L CA 2.088 56.907 54.840 -0.035 0.000 0.752 355 L CB -0.966 41.086 42.059 -0.012 0.000 0.891 355 L HN 0.377 nan 8.230 nan 0.000 0.432 356 T N -1.137 113.413 114.554 -0.006 0.000 2.684 356 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 356 T C 1.514 176.242 174.700 0.045 0.000 1.036 356 T CA 1.804 63.914 62.100 0.017 0.000 1.148 356 T CB -0.262 68.605 68.868 -0.002 0.000 0.863 356 T HN 0.388 nan 8.240 nan 0.000 0.436 357 D N -0.219 120.196 120.400 0.025 0.000 2.104 357 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 357 D C 1.450 177.892 176.300 0.238 0.000 0.994 357 D CA 1.028 55.075 54.000 0.079 0.000 0.830 357 D CB -0.177 40.628 40.800 0.009 0.000 0.959 357 D HN 0.400 nan 8.370 nan 0.000 0.452 358 W N 0.951 122.247 121.300 -0.007 0.000 2.937 358 W HA 0.203 4.863 4.660 -0.000 0.000 0.245 358 W C 0.576 177.091 176.519 -0.006 0.000 1.306 358 W CA 0.603 57.943 57.345 -0.007 0.000 1.470 358 W CB -0.158 29.297 29.460 -0.007 0.000 1.132 358 W HN 0.134 nan 8.180 nan 0.000 0.675 359 D N -2.751 117.769 120.400 0.200 0.000 2.876 359 D HA -0.123 4.517 4.640 -0.000 0.000 0.196 359 D C 1.037 177.397 176.300 0.099 0.000 1.014 359 D CA 1.349 55.416 54.000 0.112 0.000 1.012 359 D CB -1.396 39.450 40.800 0.076 0.000 1.080 359 D HN 0.275 nan 8.370 nan 0.000 0.438 360 G N 0.000 108.881 108.800 0.136 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.164 45.100 0.107 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925