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 3q2k_1_C DATA FIRST_RESID 4 DATA SEQUENCE LPITDRKIRF GLVGCGRISK NHIGAIAQHG DRAELVEICD TNPEALQAAE DATA SEQUENCE AATGARPFSS LSDMLAQGNA DALVLATPSG LHPWQAIEVA QAGRHVVSEK DATA SEQUENCE PMATRWEDGK RMVKACDEAG VRLFVVKQNR RNATLQLVKK AIEQGRFGRI DATA SEQUENCE YMVTVNVFWT RPQEYYDAAR WRGKWEWDGG AFMNQASHYV DLLDWLVGPV DATA SEQUENCE ESVYAYTATL ARRIEAEDTG VAALRWRHGA MGSINVTMLT YPQNLEGSIT DATA SEQUENCE ILGEKGTVRV GGVAVNRIDE WKFAEPHPDD DKIREANYET TSVYGFGHPL DATA SEQUENCE YYDNVINCLR GDCEPETDGR EGLQSLALLT AIYRSARDGV RIPLPLD 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.894 176.870 0.040 0.000 1.165 4 L CA 0.000 54.864 54.840 0.040 0.000 0.813 4 L CB 0.000 42.075 42.059 0.026 0.000 0.961 5 P HA 0.553 nan 4.420 nan 0.000 0.269 5 P C -0.488 176.818 177.300 0.010 0.000 1.215 5 P CA -0.008 63.097 63.100 0.008 0.000 0.780 5 P CB 0.673 32.374 31.700 0.002 0.000 0.898 6 I N 1.449 122.018 120.570 -0.002 0.000 2.282 6 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 6 I C 1.383 177.496 176.117 -0.006 0.000 1.090 6 I CA 0.082 61.379 61.300 -0.005 0.000 1.231 6 I CB 0.820 38.809 38.000 -0.018 0.000 1.434 6 I HN 0.430 nan 8.210 nan 0.000 0.487 7 T N 2.008 116.562 114.554 0.001 0.000 2.964 7 T HA 0.092 4.441 4.350 -0.000 0.000 0.249 7 T C 0.795 175.498 174.700 0.006 0.000 1.000 7 T CA 0.418 62.520 62.100 0.003 0.000 0.992 7 T CB 0.231 69.102 68.868 0.005 0.000 1.087 7 T HN 0.441 nan 8.240 nan 0.000 0.489 8 D N 2.528 122.931 120.400 0.005 0.000 2.755 8 D HA 0.241 4.881 4.640 -0.000 0.000 0.257 8 D C 0.139 176.443 176.300 0.007 0.000 1.291 8 D CA -0.095 53.909 54.000 0.007 0.000 0.836 8 D CB 0.325 41.129 40.800 0.007 0.000 1.059 8 D HN 0.597 nan 8.370 nan 0.000 0.486 9 R N -1.419 119.085 120.500 0.007 0.000 3.466 9 R HA 0.128 4.468 4.340 -0.000 0.000 0.262 9 R C -1.280 175.024 176.300 0.007 0.000 0.997 9 R CA -0.829 55.276 56.100 0.008 0.000 0.978 9 R CB 0.786 31.090 30.300 0.006 0.000 1.256 9 R HN -0.289 nan 8.270 nan 0.000 0.536 10 K N 2.260 122.669 120.400 0.014 0.000 2.527 10 K HA 0.067 4.387 4.320 -0.000 0.000 0.278 10 K C 0.564 177.160 176.600 -0.006 0.000 0.981 10 K CA -0.114 56.184 56.287 0.018 0.000 1.009 10 K CB 0.324 32.846 32.500 0.037 0.000 0.895 10 K HN 0.286 nan 8.250 nan 0.000 0.493 11 I N 3.192 123.743 120.570 -0.031 0.000 2.683 11 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 11 I C 0.641 176.679 176.117 -0.131 0.000 1.175 11 I CA 0.411 61.629 61.300 -0.137 0.000 1.429 11 I CB 0.198 38.037 38.000 -0.268 0.000 1.371 11 I HN 0.411 nan 8.210 nan 0.000 0.569 12 R N 5.772 126.186 120.500 -0.144 0.000 2.196 12 R HA 0.369 4.709 4.340 -0.000 0.000 0.340 12 R C -0.854 175.371 176.300 -0.125 0.000 1.043 12 R CA -0.134 55.925 56.100 -0.070 0.000 0.883 12 R CB 0.367 30.656 30.300 -0.018 0.000 1.078 12 R HN 0.214 nan 8.270 nan 0.000 0.462 13 F N 0.524 120.504 119.950 0.049 0.000 2.397 13 F HA 0.588 5.115 4.527 -0.001 0.000 0.331 13 F C 1.257 177.086 175.800 0.048 0.000 1.090 13 F CA -0.373 57.662 58.000 0.059 0.000 1.065 13 F CB 1.982 41.018 39.000 0.060 0.000 1.184 13 F HN 0.472 nan 8.300 nan 0.000 0.499 14 G N 2.567 111.530 108.800 0.273 0.000 2.513 14 G HA2 0.577 4.537 3.960 -0.000 0.000 0.317 14 G HA3 0.577 4.537 3.960 -0.000 0.000 0.317 14 G C -2.206 172.771 174.900 0.129 0.000 1.277 14 G CA -0.599 44.596 45.100 0.158 0.000 0.955 14 G HN 0.530 nan 8.290 nan 0.000 0.484 15 L N 2.774 124.044 121.223 0.079 0.000 2.296 15 L HA 0.693 5.032 4.340 -0.000 0.000 0.286 15 L C -0.598 176.276 176.870 0.005 0.000 1.023 15 L CA -0.688 54.160 54.840 0.014 0.000 0.812 15 L CB 1.951 44.007 42.059 -0.005 0.000 1.223 15 L HN 0.254 nan 8.230 nan 0.000 0.421 16 V N 4.900 124.795 119.914 -0.031 0.000 2.334 16 V HA 0.845 4.964 4.120 -0.000 0.000 0.281 16 V C 0.357 176.424 176.094 -0.044 0.000 1.016 16 V CA -0.068 62.218 62.300 -0.024 0.000 0.832 16 V CB 0.607 32.414 31.823 -0.026 0.000 0.999 16 V HN 1.064 nan 8.190 nan 0.000 0.439 17 G N 3.508 112.293 108.800 -0.024 0.000 3.445 17 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 17 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 17 G C -0.470 174.423 174.900 -0.013 0.000 1.113 17 G CA -0.502 44.581 45.100 -0.028 0.000 0.974 17 G HN 0.834 nan 8.290 nan 0.000 0.492 18 C N 3.522 122.825 119.300 0.004 0.000 2.508 18 C HA 0.709 5.169 4.460 -0.000 0.000 0.330 18 C C 1.685 176.692 174.990 0.028 0.000 1.435 18 C CA 0.025 59.053 59.018 0.016 0.000 1.712 18 C CB -0.800 26.951 27.740 0.018 0.000 2.741 18 C HN 1.156 nan 8.230 nan 0.000 0.562 19 G N 0.562 109.386 108.800 0.040 0.000 2.849 19 G HA2 0.294 4.254 3.960 -0.000 0.000 0.174 19 G HA3 0.294 4.254 3.960 -0.000 0.000 0.174 19 G C 0.970 175.912 174.900 0.071 0.000 1.370 19 G CA -0.381 44.757 45.100 0.063 0.000 1.040 19 G HN 0.365 nan 8.290 nan 0.000 0.582 20 R N -1.307 119.249 120.500 0.094 0.000 2.091 20 R HA -0.073 4.266 4.340 -0.000 0.000 0.238 20 R C 2.180 178.527 176.300 0.079 0.000 1.136 20 R CA 1.584 57.735 56.100 0.086 0.000 0.959 20 R CB -0.349 30.014 30.300 0.104 0.000 0.856 20 R HN 0.335 nan 8.270 nan 0.000 0.437 21 I N 0.859 121.493 120.570 0.107 0.000 3.578 21 I HA -0.047 4.122 4.170 -0.000 0.000 0.295 21 I C 1.600 177.775 176.117 0.098 0.000 1.280 21 I CA 0.578 61.931 61.300 0.089 0.000 1.347 21 I CB 0.197 38.288 38.000 0.152 0.000 1.051 21 I HN 0.234 nan 8.210 nan 0.000 0.460 22 S N -0.079 115.680 115.700 0.098 0.000 2.400 22 S HA -0.247 4.223 4.470 -0.000 0.000 0.232 22 S C 2.057 176.696 174.600 0.065 0.000 1.025 22 S CA 1.145 59.403 58.200 0.096 0.000 0.993 22 S CB -0.586 62.639 63.200 0.041 0.000 0.808 22 S HN 0.430 nan 8.310 nan 0.000 0.478 23 K N 1.737 122.154 120.400 0.029 0.000 2.211 23 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 23 K C 1.926 178.513 176.600 -0.021 0.000 1.047 23 K CA 1.524 57.817 56.287 0.011 0.000 0.935 23 K CB -0.274 32.239 32.500 0.023 0.000 0.728 23 K HN 0.587 nan 8.250 nan 0.000 0.452 24 N N -0.576 118.063 118.700 -0.102 0.000 2.376 24 N HA -0.082 4.658 4.740 -0.000 0.000 0.177 24 N C 1.437 176.765 175.510 -0.303 0.000 1.024 24 N CA 0.505 53.434 53.050 -0.203 0.000 0.893 24 N CB 0.027 38.270 38.487 -0.407 0.000 0.980 24 N HN 0.319 nan 8.380 nan 0.000 0.439 25 H N 1.707 120.643 119.070 -0.222 0.000 2.268 25 H HA 0.070 4.625 4.556 -0.000 0.000 0.304 25 H C 2.403 177.590 175.328 -0.235 0.000 1.064 25 H CA 0.720 56.660 56.048 -0.180 0.000 1.316 25 H CB -0.169 29.532 29.762 -0.102 0.000 1.386 25 H HN 0.075 nan 8.280 nan 0.000 0.496 26 I N 0.582 121.139 120.570 -0.021 0.000 2.113 26 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 26 I C 2.715 178.777 176.117 -0.091 0.000 1.057 26 I CA 1.727 62.991 61.300 -0.061 0.000 1.314 26 I CB -0.537 37.451 38.000 -0.019 0.000 1.022 26 I HN 0.299 nan 8.210 nan 0.000 0.408 27 G N -0.455 108.303 108.800 -0.070 0.000 2.484 27 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.218 27 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.218 27 G C 1.745 176.595 174.900 -0.084 0.000 1.130 27 G CA 0.695 45.758 45.100 -0.062 0.000 0.784 27 G HN 0.524 nan 8.290 nan 0.000 0.543 28 A N 0.692 123.431 122.820 -0.135 0.000 1.898 28 A HA 0.205 4.525 4.320 -0.000 0.000 0.214 28 A C 2.308 179.764 177.584 -0.214 0.000 1.183 28 A CA 0.766 52.732 52.037 -0.118 0.000 0.622 28 A CB -0.249 18.705 19.000 -0.077 0.000 0.824 28 A HN 0.317 nan 8.150 nan 0.000 0.444 29 I N 0.023 120.319 120.570 -0.456 0.000 2.226 29 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 29 I C 2.893 178.940 176.117 -0.117 0.000 1.100 29 I CA 1.151 62.189 61.300 -0.437 0.000 1.374 29 I CB -0.198 37.517 38.000 -0.475 0.000 1.057 29 I HN 0.344 nan 8.210 nan 0.000 0.413 30 A N -0.433 122.329 122.820 -0.097 0.000 2.019 30 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 30 A C 2.191 179.747 177.584 -0.047 0.000 1.164 30 A CA 1.364 53.373 52.037 -0.047 0.000 0.644 30 A CB -0.537 18.434 19.000 -0.049 0.000 0.805 30 A HN 0.463 nan 8.150 nan 0.000 0.449 31 Q N -0.935 118.828 119.800 -0.062 0.000 2.515 31 Q HA -0.042 4.298 4.340 -0.000 0.000 0.212 31 Q C 0.258 176.088 176.000 -0.284 0.000 0.970 31 Q CA 0.644 56.360 55.803 -0.144 0.000 0.941 31 Q CB -0.004 28.648 28.738 -0.143 0.000 0.998 31 Q HN 0.817 nan 8.270 nan 0.000 0.518 32 H N -2.289 116.753 119.070 -0.048 0.000 2.492 32 H HA 0.179 4.735 4.556 -0.000 0.000 0.264 32 H C 1.161 176.492 175.328 0.005 0.000 1.150 32 H CA 0.297 56.340 56.048 -0.010 0.000 0.962 32 H CB 0.764 30.532 29.762 0.011 0.000 1.766 32 H HN 0.324 nan 8.280 nan 0.000 0.589 33 G N 1.441 110.275 108.800 0.057 0.000 2.581 33 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.223 33 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.223 33 G C 1.140 176.072 174.900 0.054 0.000 1.094 33 G CA 1.337 46.464 45.100 0.045 0.000 0.736 33 G HN 0.419 nan 8.290 nan 0.000 0.588 34 D N -0.086 120.347 120.400 0.056 0.000 2.249 34 D HA 0.017 4.657 4.640 -0.000 0.000 0.205 34 D C 2.323 178.663 176.300 0.067 0.000 0.962 34 D CA 0.477 54.507 54.000 0.050 0.000 0.860 34 D CB -0.248 40.573 40.800 0.036 0.000 0.955 34 D HN 0.364 nan 8.370 nan 0.000 0.505 35 R N -0.233 120.329 120.500 0.103 0.000 2.335 35 R HA 0.554 4.894 4.340 -0.000 0.000 0.210 35 R C 0.229 176.590 176.300 0.102 0.000 0.892 35 R CA 0.233 56.391 56.100 0.096 0.000 1.048 35 R CB 1.077 31.442 30.300 0.109 0.000 1.067 35 R HN 0.096 nan 8.270 nan 0.000 0.524 36 A N 1.580 124.484 122.820 0.140 0.000 2.572 36 A HA 0.525 4.844 4.320 -0.000 0.000 0.295 36 A C -1.459 176.224 177.584 0.165 0.000 1.072 36 A CA -0.815 51.336 52.037 0.190 0.000 0.691 36 A CB 1.548 20.775 19.000 0.378 0.000 1.291 36 A HN 0.177 nan 8.150 nan 0.000 0.404 37 E N 0.419 120.730 120.200 0.184 0.000 2.390 37 E HA 0.601 4.950 4.350 -0.000 0.000 0.277 37 E C -1.682 175.032 176.600 0.190 0.000 0.939 37 E CA -0.941 55.545 56.400 0.143 0.000 0.769 37 E CB 1.795 31.547 29.700 0.087 0.000 1.251 37 E HN 0.525 nan 8.360 nan 0.000 0.450 38 L N 2.527 123.828 121.223 0.130 0.000 2.265 38 L HA 0.288 4.628 4.340 -0.000 0.000 0.288 38 L C -0.422 176.509 176.870 0.101 0.000 1.058 38 L CA 0.056 54.971 54.840 0.126 0.000 0.809 38 L CB 1.433 43.527 42.059 0.058 0.000 1.179 38 L HN 0.694 nan 8.230 nan 0.000 0.429 39 V N 3.603 123.587 119.914 0.117 0.000 3.572 39 V HA 0.352 4.472 4.120 -0.000 0.000 0.260 39 V C 0.298 176.465 176.094 0.121 0.000 1.324 39 V CA 0.173 62.533 62.300 0.101 0.000 1.068 39 V CB 0.245 32.126 31.823 0.096 0.000 0.837 39 V HN 0.811 nan 8.190 nan 0.000 0.450 40 E N 0.003 120.288 120.200 0.143 0.000 2.413 40 E HA 0.741 5.091 4.350 -0.000 0.000 0.277 40 E C -1.304 175.395 176.600 0.165 0.000 0.958 40 E CA -0.571 55.950 56.400 0.202 0.000 0.779 40 E CB 3.141 32.990 29.700 0.249 0.000 1.278 40 E HN 0.337 nan 8.360 nan 0.000 0.456 41 I N -1.849 118.841 120.570 0.200 0.000 2.841 41 I HA 0.746 4.915 4.170 -0.000 0.000 0.298 41 I C -1.391 174.833 176.117 0.178 0.000 1.304 41 I CA -0.978 60.402 61.300 0.133 0.000 1.019 41 I CB 1.969 40.015 38.000 0.077 0.000 1.282 41 I HN 0.615 nan 8.210 nan 0.000 0.432 42 C N 4.062 123.432 119.300 0.117 0.000 2.608 42 C HA 0.751 5.211 4.460 -0.000 0.000 0.325 42 C C -1.666 173.360 174.990 0.061 0.000 1.147 42 C CA 0.123 59.216 59.018 0.124 0.000 1.359 42 C CB 1.187 28.982 27.740 0.091 0.000 1.912 42 C HN 1.000 nan 8.230 nan 0.000 0.466 43 D N 2.523 122.955 120.400 0.054 0.000 2.655 43 D HA 0.364 5.003 4.640 -0.000 0.000 0.229 43 D C 0.395 176.706 176.300 0.018 0.000 1.229 43 D CA -0.189 53.825 54.000 0.023 0.000 0.807 43 D CB 2.745 43.554 40.800 0.016 0.000 1.514 43 D HN 0.546 nan 8.370 nan 0.000 0.444 44 T N 0.723 115.276 114.554 -0.002 0.000 3.081 44 T HA 0.048 4.398 4.350 -0.000 0.000 0.250 44 T C 0.735 175.430 174.700 -0.008 0.000 1.100 44 T CA 0.054 62.149 62.100 -0.009 0.000 1.038 44 T CB -0.082 68.767 68.868 -0.032 0.000 0.962 44 T HN 0.224 nan 8.240 nan 0.000 0.516 45 N N 1.683 120.380 118.700 -0.005 0.000 2.501 45 N HA 0.158 4.898 4.740 -0.000 0.000 0.245 45 N C -2.324 173.188 175.510 0.002 0.000 0.974 45 N CA -2.017 51.032 53.050 -0.003 0.000 0.941 45 N CB 2.010 40.496 38.487 -0.001 0.000 1.122 45 N HN -0.107 nan 8.380 nan 0.000 0.507 46 P HA -0.214 nan 4.420 nan 0.000 0.219 46 P C 0.623 177.923 177.300 0.000 0.000 1.161 46 P CA 1.804 64.904 63.100 -0.000 0.000 0.909 46 P CB 0.350 32.049 31.700 -0.002 0.000 0.793 47 E N -0.813 119.387 120.200 0.001 0.000 2.107 47 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 47 E C 2.094 178.697 176.600 0.005 0.000 0.982 47 E CA 1.078 57.479 56.400 0.002 0.000 0.809 47 E CB -0.642 29.060 29.700 0.003 0.000 0.756 47 E HN 0.179 nan 8.360 nan 0.000 0.459 48 A N 1.644 124.469 122.820 0.008 0.000 1.968 48 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 48 A C 2.186 179.776 177.584 0.010 0.000 1.169 48 A CA 0.685 52.729 52.037 0.011 0.000 0.638 48 A CB -0.414 18.595 19.000 0.016 0.000 0.812 48 A HN 0.186 nan 8.150 nan 0.000 0.446 49 L N -0.001 121.227 121.223 0.009 0.000 2.017 49 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 49 L C 2.448 179.320 176.870 0.002 0.000 1.073 49 L CA 2.299 57.145 54.840 0.009 0.000 0.745 49 L CB -0.925 41.140 42.059 0.010 0.000 0.894 49 L HN 0.515 nan 8.230 nan 0.000 0.432 50 Q N -0.666 119.133 119.800 -0.002 0.000 1.998 50 Q HA -0.311 4.029 4.340 -0.000 0.000 0.209 50 Q C 2.218 178.216 176.000 -0.002 0.000 1.002 50 Q CA 2.321 58.121 55.803 -0.005 0.000 0.858 50 Q CB -0.596 28.139 28.738 -0.005 0.000 0.932 50 Q HN 0.695 nan 8.270 nan 0.000 0.416 51 A N 0.566 123.387 122.820 0.002 0.000 1.997 51 A HA -0.245 4.074 4.320 -0.000 0.000 0.221 51 A C 2.146 179.733 177.584 0.005 0.000 1.172 51 A CA 2.002 54.042 52.037 0.004 0.000 0.645 51 A CB -0.731 18.273 19.000 0.008 0.000 0.813 51 A HN 0.483 nan 8.150 nan 0.000 0.454 52 A N -0.855 121.969 122.820 0.006 0.000 1.943 52 A HA 0.021 4.340 4.320 -0.000 0.000 0.213 52 A C 2.039 179.627 177.584 0.006 0.000 1.181 52 A CA 1.259 53.302 52.037 0.009 0.000 0.653 52 A CB -0.350 18.659 19.000 0.015 0.000 0.833 52 A HN 0.645 nan 8.150 nan 0.000 0.451 53 E N 0.791 120.992 120.200 0.000 0.000 2.006 53 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 53 E C 2.094 178.691 176.600 -0.006 0.000 0.993 53 E CA 1.291 57.688 56.400 -0.006 0.000 0.808 53 E CB -0.423 29.265 29.700 -0.019 0.000 0.764 53 E HN 0.374 nan 8.360 nan 0.000 0.449 54 A N 1.039 123.855 122.820 -0.007 0.000 2.104 54 A HA -0.183 4.137 4.320 -0.000 0.000 0.223 54 A C 2.259 179.841 177.584 -0.002 0.000 1.164 54 A CA 2.324 54.357 52.037 -0.005 0.000 0.659 54 A CB -0.633 18.365 19.000 -0.005 0.000 0.808 54 A HN 0.466 nan 8.150 nan 0.000 0.465 55 A N -1.621 121.199 122.820 0.000 0.000 2.044 55 A HA 0.199 4.519 4.320 -0.000 0.000 0.213 55 A C 2.173 179.758 177.584 0.002 0.000 1.169 55 A CA 1.827 53.866 52.037 0.002 0.000 0.724 55 A CB -0.315 18.688 19.000 0.005 0.000 0.840 55 A HN 0.739 nan 8.150 nan 0.000 0.463 56 T N -5.956 108.600 114.554 0.003 0.000 3.019 56 T HA 0.409 4.758 4.350 -0.000 0.000 0.247 56 T C 1.516 176.219 174.700 0.005 0.000 0.992 56 T CA 1.216 63.319 62.100 0.005 0.000 1.036 56 T CB -0.058 68.817 68.868 0.011 0.000 1.063 56 T HN 1.630 nan 8.240 nan 0.000 0.476 57 G N 2.035 110.837 108.800 0.002 0.000 2.153 57 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.252 57 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.252 57 G C 0.319 175.223 174.900 0.005 0.000 0.994 57 G CA 0.169 45.269 45.100 0.000 0.000 0.698 57 G HN 1.204 nan 8.290 nan 0.000 0.521 58 A N -0.446 122.382 122.820 0.013 0.000 2.313 58 A HA 0.734 5.054 4.320 -0.000 0.000 0.261 58 A C 0.845 178.432 177.584 0.005 0.000 1.090 58 A CA 0.402 52.455 52.037 0.027 0.000 0.807 58 A CB 0.309 19.338 19.000 0.048 0.000 1.055 58 A HN 0.928 nan 8.150 nan 0.000 0.492 59 R N 1.458 121.967 120.500 0.015 0.000 2.401 59 R HA 0.300 4.640 4.340 -0.000 0.000 0.299 59 R C -2.522 173.692 176.300 -0.144 0.000 1.064 59 R CA -1.175 54.881 56.100 -0.073 0.000 1.000 59 R CB 0.449 30.729 30.300 -0.032 0.000 0.973 59 R HN 0.485 nan 8.270 nan 0.000 0.438 60 P HA 0.262 nan 4.420 nan 0.000 0.286 60 P C -1.268 175.762 177.300 -0.450 0.000 1.261 60 P CA -0.223 62.754 63.100 -0.205 0.000 0.821 60 P CB 0.872 32.490 31.700 -0.138 0.000 1.013 61 F N -0.002 119.950 119.950 0.003 0.000 2.578 61 F HA 0.257 4.784 4.527 -0.000 0.000 0.311 61 F C 1.301 177.100 175.800 -0.002 0.000 1.094 61 F CA -0.315 57.687 58.000 0.002 0.000 0.923 61 F CB 2.164 41.166 39.000 0.004 0.000 1.230 61 F HN 0.268 nan 8.300 nan 0.000 0.450 62 S N -0.682 115.130 115.700 0.188 0.000 2.540 62 S HA 0.262 4.732 4.470 -0.000 0.000 0.218 62 S C 0.211 174.863 174.600 0.086 0.000 0.977 62 S CA 0.323 58.582 58.200 0.097 0.000 0.918 62 S CB -0.040 63.191 63.200 0.051 0.000 0.806 62 S HN 0.601 nan 8.310 nan 0.000 0.496 63 S N 0.111 115.878 115.700 0.112 0.000 2.618 63 S HA 0.613 5.083 4.470 -0.000 0.000 0.277 63 S C 0.216 174.831 174.600 0.025 0.000 1.138 63 S CA -0.780 57.453 58.200 0.055 0.000 0.844 63 S CB 1.293 64.515 63.200 0.037 0.000 1.127 63 S HN 0.151 nan 8.310 nan 0.000 0.474 64 L N 2.570 123.791 121.223 -0.003 0.000 2.109 64 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 64 L C 2.399 179.227 176.870 -0.070 0.000 1.086 64 L CA 2.571 57.387 54.840 -0.040 0.000 0.760 64 L CB -1.150 40.898 42.059 -0.018 0.000 0.910 64 L HN 0.897 nan 8.230 nan 0.000 0.437 65 S N -0.447 115.231 115.700 -0.037 0.000 2.370 65 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 65 S C 1.614 176.171 174.600 -0.071 0.000 1.033 65 S CA 1.405 59.580 58.200 -0.042 0.000 1.011 65 S CB -0.868 62.324 63.200 -0.015 0.000 0.852 65 S HN 0.514 nan 8.310 nan 0.000 0.457 66 D N 1.569 121.940 120.400 -0.047 0.000 2.097 66 D HA -0.071 4.568 4.640 -0.000 0.000 0.195 66 D C 1.859 177.972 176.300 -0.312 0.000 0.989 66 D CA 1.156 55.141 54.000 -0.025 0.000 0.827 66 D CB -0.462 40.437 40.800 0.166 0.000 0.966 66 D HN 0.448 nan 8.370 nan 0.000 0.456 67 M N -0.030 119.222 119.600 -0.579 0.000 2.213 67 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 67 M C 1.647 177.530 176.300 -0.694 0.000 1.062 67 M CA 1.224 55.730 55.300 -1.324 0.000 1.105 67 M CB 0.121 32.258 32.600 -0.772 0.000 1.385 67 M HN -0.039 nan 8.290 nan 0.000 0.417 68 L N -0.387 120.626 121.223 -0.350 0.000 2.209 68 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 68 L C 2.736 179.514 176.870 -0.154 0.000 1.094 68 L CA 0.644 55.361 54.840 -0.204 0.000 0.790 68 L CB -0.727 41.258 42.059 -0.123 0.000 0.932 68 L HN 0.363 nan 8.230 nan 0.000 0.447 69 A N -0.211 122.529 122.820 -0.133 0.000 1.873 69 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 69 A C 2.122 179.676 177.584 -0.049 0.000 1.186 69 A CA 1.530 53.527 52.037 -0.067 0.000 0.616 69 A CB -0.260 18.723 19.000 -0.029 0.000 0.823 69 A HN 0.485 nan 8.150 nan 0.000 0.442 70 Q N -0.928 118.833 119.800 -0.064 0.000 2.378 70 Q HA 0.206 4.546 4.340 -0.000 0.000 0.216 70 Q C 1.028 177.057 176.000 0.048 0.000 0.892 70 Q CA 0.118 55.955 55.803 0.056 0.000 0.931 70 Q CB 0.403 29.289 28.738 0.248 0.000 1.086 70 Q HN 0.573 nan 8.270 nan 0.000 0.528 71 G N 1.510 110.226 108.800 -0.140 0.000 2.528 71 G HA2 0.195 4.155 3.960 -0.000 0.000 0.289 71 G HA3 0.195 4.155 3.960 -0.000 0.000 0.289 71 G C -0.099 174.780 174.900 -0.035 0.000 1.192 71 G CA -0.565 44.491 45.100 -0.073 0.000 0.921 71 G HN 0.423 nan 8.290 nan 0.000 0.512 72 N N -1.023 117.681 118.700 0.006 0.000 2.291 72 N HA 0.420 5.160 4.740 -0.000 0.000 0.244 72 N C 0.513 176.019 175.510 -0.007 0.000 1.216 72 N CA -0.216 52.831 53.050 -0.004 0.000 0.879 72 N CB 0.989 39.483 38.487 0.012 0.000 1.167 72 N HN 0.580 nan 8.380 nan 0.000 0.515 73 A N 0.327 123.142 122.820 -0.007 0.000 2.483 73 A HA 0.076 4.395 4.320 -0.000 0.000 0.238 73 A C 0.634 178.203 177.584 -0.024 0.000 1.070 73 A CA -0.107 51.930 52.037 0.000 0.000 0.770 73 A CB 0.302 19.320 19.000 0.031 0.000 1.008 73 A HN 0.401 nan 8.150 nan 0.000 0.497 74 D N 0.441 120.814 120.400 -0.045 0.000 2.249 74 D HA 0.243 4.883 4.640 -0.000 0.000 0.205 74 D C 0.555 176.870 176.300 0.025 0.000 0.962 74 D CA 1.728 55.713 54.000 -0.026 0.000 0.860 74 D CB 0.185 40.965 40.800 -0.034 0.000 0.955 74 D HN 0.693 nan 8.370 nan 0.000 0.505 75 A N 0.438 123.256 122.820 -0.003 0.000 2.459 75 A HA 0.586 4.906 4.320 -0.000 0.000 0.296 75 A C -1.252 176.428 177.584 0.160 0.000 1.039 75 A CA -0.577 51.521 52.037 0.103 0.000 0.698 75 A CB 1.167 20.211 19.000 0.072 0.000 1.261 75 A HN 0.035 nan 8.150 nan 0.000 0.405 76 L N 2.197 123.511 121.223 0.150 0.000 2.307 76 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 76 L C -0.445 176.503 176.870 0.131 0.000 1.023 76 L CA -0.928 53.989 54.840 0.128 0.000 0.810 76 L CB 1.898 43.986 42.059 0.048 0.000 1.231 76 L HN 0.464 nan 8.230 nan 0.000 0.423 77 V N 4.936 124.910 119.914 0.101 0.000 2.407 77 V HA 0.318 4.438 4.120 -0.000 0.000 0.278 77 V C 0.080 176.099 176.094 -0.125 0.000 1.037 77 V CA -0.426 61.869 62.300 -0.009 0.000 0.900 77 V CB 1.501 33.285 31.823 -0.065 0.000 0.983 77 V HN 0.473 nan 8.190 nan 0.000 0.459 78 L N 4.890 125.995 121.223 -0.196 0.000 2.277 78 L HA 0.637 4.976 4.340 -0.000 0.000 0.284 78 L C 0.649 177.307 176.870 -0.353 0.000 1.028 78 L CA -0.213 54.468 54.840 -0.264 0.000 0.835 78 L CB 1.222 43.096 42.059 -0.309 0.000 1.215 78 L HN 0.726 nan 8.230 nan 0.000 0.425 79 A N 1.520 124.215 122.820 -0.208 0.000 2.610 79 A HA 0.322 4.641 4.320 -0.000 0.000 0.291 79 A C 0.696 178.267 177.584 -0.021 0.000 1.116 79 A CA -0.250 51.709 52.037 -0.130 0.000 0.963 79 A CB 0.006 18.897 19.000 -0.182 0.000 1.220 79 A HN 0.622 nan 8.150 nan 0.000 0.530 80 T N -2.101 112.463 114.554 0.017 0.000 2.810 80 T HA 0.546 4.895 4.350 -0.000 0.000 0.277 80 T C -2.883 171.713 174.700 -0.173 0.000 0.973 80 T CA -2.066 60.004 62.100 -0.049 0.000 0.949 80 T CB 0.138 68.997 68.868 -0.015 0.000 1.075 80 T HN 0.013 nan 8.240 nan 0.000 0.537 81 P HA 0.119 nan 4.420 nan 0.000 0.263 81 P C 0.651 177.573 177.300 -0.631 0.000 1.175 81 P CA 0.122 62.477 63.100 -1.242 0.000 0.761 81 P CB 0.234 31.161 31.700 -1.289 0.000 0.794 82 S N 2.764 118.114 115.700 -0.583 0.000 2.387 82 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 82 S C 2.131 176.456 174.600 -0.458 0.000 1.035 82 S CA 1.775 59.541 58.200 -0.724 0.000 1.014 82 S CB -0.982 62.127 63.200 -0.152 0.000 0.836 82 S HN 0.759 nan 8.310 nan 0.000 0.466 83 G N 0.853 109.658 108.800 0.007 0.000 2.559 83 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.216 83 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.216 83 G C 1.148 176.259 174.900 0.352 0.000 1.126 83 G CA 0.215 45.431 45.100 0.193 0.000 0.778 83 G HN 0.455 nan 8.290 nan 0.000 0.543 84 L N -0.780 120.612 121.223 0.282 0.000 2.341 84 L HA 0.097 4.436 4.340 -0.000 0.000 0.214 84 L C 2.412 179.461 176.870 0.298 0.000 1.115 84 L CA 0.330 55.376 54.840 0.343 0.000 0.820 84 L CB -0.457 41.720 42.059 0.196 0.000 0.944 84 L HN 0.308 nan 8.230 nan 0.000 0.452 85 H N 0.153 119.272 119.070 0.082 0.000 2.319 85 H HA -0.160 4.396 4.556 -0.000 0.000 0.297 85 H C -0.501 174.803 175.328 -0.041 0.000 1.097 85 H CA 1.190 57.247 56.048 0.015 0.000 1.285 85 H CB -1.103 28.657 29.762 -0.004 0.000 1.368 85 H HN 0.299 nan 8.280 nan 0.000 0.495 86 P HA -0.207 nan 4.420 nan 0.000 0.215 86 P C 0.723 177.839 177.300 -0.306 0.000 1.157 86 P CA 1.484 64.398 63.100 -0.310 0.000 0.868 86 P CB -0.305 30.984 31.700 -0.685 0.000 0.788 87 W N -0.162 121.174 121.300 0.060 0.000 2.418 87 W HA -0.015 4.645 4.660 -0.001 0.000 0.292 87 W C 2.660 179.201 176.519 0.037 0.000 1.213 87 W CA 0.474 57.845 57.345 0.044 0.000 1.283 87 W CB -1.056 28.440 29.460 0.060 0.000 1.119 87 W HN 0.004 nan 8.180 nan 0.000 0.542 88 Q N 0.277 120.219 119.800 0.237 0.000 2.084 88 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 88 Q C 2.464 178.506 176.000 0.071 0.000 0.978 88 Q CA 1.650 57.533 55.803 0.134 0.000 0.844 88 Q CB -0.569 28.235 28.738 0.110 0.000 0.898 88 Q HN 0.318 nan 8.270 nan 0.000 0.426 89 A N 0.726 123.571 122.820 0.041 0.000 1.969 89 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 89 A C 1.977 179.558 177.584 -0.004 0.000 1.169 89 A CA 0.926 52.966 52.037 0.004 0.000 0.635 89 A CB -0.467 18.521 19.000 -0.020 0.000 0.810 89 A HN 0.283 nan 8.150 nan 0.000 0.445 90 I N -0.845 119.725 120.570 -0.000 0.000 2.233 90 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 90 I C 2.565 178.701 176.117 0.031 0.000 1.093 90 I CA 1.655 62.957 61.300 0.004 0.000 1.380 90 I CB -0.365 37.642 38.000 0.012 0.000 1.067 90 I HN 0.526 nan 8.210 nan 0.000 0.413 91 E N 1.071 121.308 120.200 0.062 0.000 2.110 91 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 91 E C 2.321 178.925 176.600 0.007 0.000 0.988 91 E CA 1.215 57.639 56.400 0.040 0.000 0.804 91 E CB 0.200 29.934 29.700 0.056 0.000 0.745 91 E HN 0.233 nan 8.360 nan 0.000 0.458 92 V N 1.211 121.128 119.914 0.005 0.000 2.287 92 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 92 V C 2.452 178.529 176.094 -0.029 0.000 1.053 92 V CA 1.949 64.240 62.300 -0.015 0.000 1.027 92 V CB -0.713 31.107 31.823 -0.005 0.000 0.646 92 V HN 0.456 nan 8.190 nan 0.000 0.447 93 A N -0.999 121.807 122.820 -0.024 0.000 1.930 93 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 93 A C 2.116 179.676 177.584 -0.040 0.000 1.175 93 A CA 1.544 53.558 52.037 -0.040 0.000 0.627 93 A CB -0.455 18.524 19.000 -0.036 0.000 0.815 93 A HN 0.634 nan 8.150 nan 0.000 0.443 94 Q N -0.714 119.072 119.800 -0.024 0.000 2.291 94 Q HA -0.043 4.297 4.340 -0.000 0.000 0.206 94 Q C 1.789 177.771 176.000 -0.030 0.000 0.976 94 Q CA 1.057 56.848 55.803 -0.021 0.000 0.875 94 Q CB -0.289 28.447 28.738 -0.005 0.000 0.927 94 Q HN 0.668 nan 8.270 nan 0.000 0.450 95 A N -0.187 122.611 122.820 -0.038 0.000 2.345 95 A HA 0.399 4.719 4.320 -0.000 0.000 0.225 95 A C 1.280 178.825 177.584 -0.065 0.000 1.243 95 A CA 0.513 52.522 52.037 -0.047 0.000 0.875 95 A CB 0.022 18.991 19.000 -0.050 0.000 0.929 95 A HN 0.381 nan 8.150 nan 0.000 0.502 96 G N -0.061 108.693 108.800 -0.077 0.000 2.137 96 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 96 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 96 G C 0.081 174.875 174.900 -0.178 0.000 1.002 96 G CA 0.205 45.240 45.100 -0.109 0.000 0.702 96 G HN 0.602 nan 8.290 nan 0.000 0.515 97 R N -0.205 120.189 120.500 -0.176 0.000 2.873 97 R HA 0.567 4.907 4.340 -0.000 0.000 0.264 97 R C -0.012 176.135 176.300 -0.256 0.000 1.026 97 R CA -0.976 54.968 56.100 -0.261 0.000 1.002 97 R CB 0.637 30.861 30.300 -0.128 0.000 1.174 97 R HN 0.347 nan 8.270 nan 0.000 0.488 98 H N -0.031 119.058 119.070 0.033 0.000 2.757 98 H HA 0.231 4.787 4.556 -0.000 0.000 0.370 98 H C -0.116 175.280 175.328 0.113 0.000 1.172 98 H CA -0.039 56.060 56.048 0.086 0.000 1.426 98 H CB 0.896 30.751 29.762 0.155 0.000 1.438 98 H HN 0.078 nan 8.280 nan 0.000 0.612 99 V N 2.416 122.497 119.914 0.278 0.000 2.531 99 V HA 0.138 4.258 4.120 -0.000 0.000 0.301 99 V C -0.143 176.137 176.094 0.311 0.000 1.034 99 V CA -0.787 61.635 62.300 0.203 0.000 0.865 99 V CB 2.091 33.972 31.823 0.098 0.000 0.995 99 V HN 0.437 nan 8.190 nan 0.000 0.424 100 V N 3.685 123.746 119.914 0.245 0.000 2.294 100 V HA 0.376 4.495 4.120 -0.000 0.000 0.272 100 V C 0.396 176.517 176.094 0.045 0.000 1.027 100 V CA -0.145 62.284 62.300 0.215 0.000 0.823 100 V CB 1.416 33.328 31.823 0.148 0.000 1.030 100 V HN 0.863 nan 8.190 nan 0.000 0.457 101 S N 4.012 119.723 115.700 0.018 0.000 2.525 101 S HA 0.362 4.832 4.470 -0.000 0.000 0.278 101 S C 0.095 174.602 174.600 -0.154 0.000 1.234 101 S CA -0.591 57.521 58.200 -0.147 0.000 1.058 101 S CB 0.799 63.946 63.200 -0.089 0.000 0.983 101 S HN 0.718 nan 8.310 nan 0.000 0.495 102 E N 2.185 122.212 120.200 -0.289 0.000 2.408 102 E HA 0.113 4.462 4.350 -0.000 0.000 0.259 102 E C -0.083 176.574 176.600 0.095 0.000 1.110 102 E CA -0.250 56.119 56.400 -0.051 0.000 0.929 102 E CB 0.496 30.230 29.700 0.057 0.000 0.971 102 E HN 0.633 nan 8.360 nan 0.000 0.438 103 K N 1.733 122.190 120.400 0.095 0.000 2.258 103 K HA 0.286 4.606 4.320 -0.000 0.000 0.264 103 K C -2.426 174.277 176.600 0.171 0.000 1.007 103 K CA -1.472 54.857 56.287 0.071 0.000 0.941 103 K CB -0.449 31.989 32.500 -0.103 0.000 0.966 103 K HN 0.093 nan 8.250 nan 0.000 0.480 104 P HA 0.140 nan 4.420 nan 0.000 0.281 104 P C 0.459 177.857 177.300 0.162 0.000 1.281 104 P CA -0.701 62.449 63.100 0.085 0.000 0.811 104 P CB 0.740 32.477 31.700 0.060 0.000 1.154 105 M N -1.269 118.401 119.600 0.117 0.000 2.394 105 M HA 0.281 4.761 4.480 -0.000 0.000 0.264 105 M C 0.512 176.876 176.300 0.106 0.000 1.073 105 M CA 1.265 56.650 55.300 0.142 0.000 1.111 105 M CB -0.310 32.321 32.600 0.052 0.000 1.401 105 M HN 0.276 nan 8.290 nan 0.000 0.448 106 A N 0.347 123.197 122.820 0.049 0.000 2.536 106 A HA 0.546 4.866 4.320 -0.000 0.000 0.293 106 A C 0.384 177.993 177.584 0.042 0.000 1.119 106 A CA -0.027 52.010 52.037 0.001 0.000 0.654 106 A CB 0.341 19.311 19.000 -0.051 0.000 1.291 106 A HN 0.324 nan 8.150 nan 0.000 0.439 107 T N -2.110 112.479 114.554 0.059 0.000 2.985 107 T HA 0.367 4.717 4.350 -0.000 0.000 0.254 107 T C 0.518 175.297 174.700 0.131 0.000 1.021 107 T CA 0.218 62.395 62.100 0.127 0.000 0.957 107 T CB -0.064 68.897 68.868 0.155 0.000 1.047 107 T HN 0.572 nan 8.240 nan 0.000 0.511 108 R N 0.013 120.565 120.500 0.086 0.000 2.599 108 R HA 0.389 4.728 4.340 -0.000 0.000 0.295 108 R C 0.397 176.769 176.300 0.119 0.000 0.963 108 R CA -0.936 55.225 56.100 0.102 0.000 0.883 108 R CB 1.473 31.814 30.300 0.067 0.000 1.171 108 R HN 0.252 nan 8.270 nan 0.000 0.450 109 W N 3.626 124.903 121.300 -0.037 0.000 2.317 109 W HA -0.246 4.413 4.660 -0.001 0.000 0.318 109 W C 0.654 177.136 176.519 -0.060 0.000 1.227 109 W CA 1.579 58.893 57.345 -0.052 0.000 1.269 109 W CB 0.321 29.750 29.460 -0.052 0.000 1.155 109 W HN 0.608 nan 8.180 nan 0.000 0.484 110 E N 0.604 120.715 120.200 -0.149 0.000 2.153 110 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 110 E C 1.515 177.932 176.600 -0.305 0.000 0.988 110 E CA 1.485 57.715 56.400 -0.284 0.000 0.811 110 E CB -0.568 29.076 29.700 -0.094 0.000 0.746 110 E HN 0.390 nan 8.360 nan 0.000 0.466 111 D N -0.378 119.876 120.400 -0.243 0.000 2.123 111 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 111 D C 1.942 178.015 176.300 -0.378 0.000 0.976 111 D CA 1.293 55.073 54.000 -0.367 0.000 0.831 111 D CB -0.561 40.027 40.800 -0.353 0.000 0.974 111 D HN 0.269 nan 8.370 nan 0.000 0.469 112 G N 1.105 109.724 108.800 -0.303 0.000 2.418 112 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 112 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 112 G C 1.593 176.265 174.900 -0.380 0.000 1.158 112 G CA 0.576 45.506 45.100 -0.282 0.000 0.771 112 G HN 0.238 nan 8.290 nan 0.000 0.545 113 K N -0.112 119.945 120.400 -0.572 0.000 2.063 113 K HA -0.075 4.244 4.320 -0.000 0.000 0.208 113 K C 2.646 179.046 176.600 -0.333 0.000 1.048 113 K CA 1.010 56.988 56.287 -0.516 0.000 0.928 113 K CB -0.170 31.940 32.500 -0.650 0.000 0.713 113 K HN 0.141 nan 8.250 nan 0.000 0.442 114 R N 0.533 120.839 120.500 -0.324 0.000 2.075 114 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 114 R C 2.393 178.548 176.300 -0.242 0.000 1.126 114 R CA 1.354 57.297 56.100 -0.262 0.000 0.963 114 R CB -0.125 29.994 30.300 -0.301 0.000 0.858 114 R HN 0.200 nan 8.270 nan 0.000 0.435 115 M N -0.250 119.184 119.600 -0.277 0.000 2.115 115 M HA -0.232 4.248 4.480 -0.000 0.000 0.258 115 M C 2.293 178.501 176.300 -0.153 0.000 1.071 115 M CA 1.830 57.005 55.300 -0.208 0.000 1.100 115 M CB -0.488 32.001 32.600 -0.186 0.000 1.292 115 M HN -0.018 nan 8.290 nan 0.000 0.415 116 V N 1.491 121.309 119.914 -0.160 0.000 2.282 116 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 116 V C 2.408 178.434 176.094 -0.114 0.000 1.057 116 V CA 2.491 64.713 62.300 -0.130 0.000 1.032 116 V CB -1.340 30.399 31.823 -0.140 0.000 0.645 116 V HN 0.571 nan 8.190 nan 0.000 0.447 117 K N 1.483 121.807 120.400 -0.128 0.000 2.063 117 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 117 K C 2.167 178.719 176.600 -0.080 0.000 1.048 117 K CA 1.873 58.101 56.287 -0.098 0.000 0.928 117 K CB -0.589 31.851 32.500 -0.100 0.000 0.713 117 K HN 0.363 nan 8.250 nan 0.000 0.442 118 A N 1.587 124.355 122.820 -0.087 0.000 1.877 118 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 118 A C 2.466 180.017 177.584 -0.056 0.000 1.186 118 A CA 1.537 53.535 52.037 -0.065 0.000 0.620 118 A CB -1.071 17.889 19.000 -0.067 0.000 0.822 118 A HN 0.586 nan 8.150 nan 0.000 0.443 119 C N -0.415 118.848 119.300 -0.062 0.000 2.411 119 C HA -0.097 4.363 4.460 -0.000 0.000 0.279 119 C C 2.370 177.330 174.990 -0.049 0.000 1.288 119 C CA 0.988 59.975 59.018 -0.052 0.000 1.764 119 C CB -1.232 26.474 27.740 -0.056 0.000 1.974 119 C HN 0.583 nan 8.230 nan 0.000 0.498 120 D N 0.723 121.090 120.400 -0.056 0.000 2.078 120 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 120 D C 2.236 178.512 176.300 -0.039 0.000 0.990 120 D CA 1.622 55.593 54.000 -0.048 0.000 0.827 120 D CB -0.605 40.164 40.800 -0.051 0.000 0.975 120 D HN 0.744 nan 8.370 nan 0.000 0.451 121 E N 0.534 120.710 120.200 -0.040 0.000 2.347 121 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 121 E C 1.605 178.187 176.600 -0.031 0.000 1.008 121 E CA 0.817 57.197 56.400 -0.032 0.000 0.852 121 E CB -0.023 29.659 29.700 -0.031 0.000 0.783 121 E HN 0.123 nan 8.360 nan 0.000 0.505 122 A N 1.356 124.155 122.820 -0.035 0.000 2.208 122 A HA 0.305 4.625 4.320 -0.000 0.000 0.209 122 A C 1.861 179.423 177.584 -0.036 0.000 1.161 122 A CA 0.615 52.629 52.037 -0.038 0.000 0.782 122 A CB -0.529 18.443 19.000 -0.047 0.000 0.816 122 A HN 0.467 nan 8.150 nan 0.000 0.477 123 G N -0.579 108.205 108.800 -0.027 0.000 2.198 123 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.260 123 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.260 123 G C 0.328 175.230 174.900 0.003 0.000 1.025 123 G CA 0.714 45.805 45.100 -0.014 0.000 0.769 123 G HN 1.699 nan 8.290 nan 0.000 0.507 124 V N -3.755 116.156 119.914 -0.006 0.000 2.850 124 V HA 0.918 5.038 4.120 -0.000 0.000 0.315 124 V C 0.703 176.862 176.094 0.109 0.000 1.064 124 V CA -2.014 60.315 62.300 0.048 0.000 0.979 124 V CB 1.656 33.430 31.823 -0.081 0.000 1.039 124 V HN 0.248 nan 8.190 nan 0.000 0.452 125 R N 1.752 122.433 120.500 0.301 0.000 2.491 125 R HA 0.578 4.918 4.340 -0.000 0.000 0.283 125 R C -0.681 175.560 176.300 -0.099 0.000 1.072 125 R CA -0.384 55.674 56.100 -0.070 0.000 1.048 125 R CB 0.599 30.790 30.300 -0.181 0.000 0.983 125 R HN 0.812 nan 8.270 nan 0.000 0.450 126 L N 5.304 126.357 121.223 -0.282 0.000 2.343 126 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 126 L C -1.628 175.085 176.870 -0.262 0.000 0.996 126 L CA -0.279 54.475 54.840 -0.144 0.000 0.831 126 L CB 0.654 42.660 42.059 -0.089 0.000 1.232 126 L HN 0.496 nan 8.230 nan 0.000 0.413 127 F N 4.118 124.099 119.950 0.052 0.000 2.458 127 F HA 0.748 5.275 4.527 -0.000 0.000 0.330 127 F C 0.094 175.940 175.800 0.078 0.000 1.082 127 F CA -0.987 57.062 58.000 0.081 0.000 0.995 127 F CB 2.042 41.119 39.000 0.129 0.000 1.170 127 F HN 0.128 nan 8.300 nan 0.000 0.478 128 V N 2.859 122.935 119.914 0.270 0.000 2.540 128 V HA 0.307 4.426 4.120 -0.000 0.000 0.302 128 V C -0.411 175.690 176.094 0.012 0.000 1.035 128 V CA -1.021 61.346 62.300 0.111 0.000 0.873 128 V CB 1.769 33.624 31.823 0.054 0.000 0.992 128 V HN 0.506 nan 8.190 nan 0.000 0.428 129 V N 4.881 124.658 119.914 -0.230 0.000 2.446 129 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 129 V C 0.277 176.110 176.094 -0.436 0.000 1.030 129 V CA 0.083 61.932 62.300 -0.751 0.000 1.033 129 V CB 0.881 32.383 31.823 -0.535 0.000 0.993 129 V HN 0.812 nan 8.190 nan 0.000 0.477 130 K N 3.909 124.077 120.400 -0.385 0.000 2.827 130 K HA 0.236 4.556 4.320 -0.000 0.000 0.186 130 K C 1.147 177.665 176.600 -0.137 0.000 1.093 130 K CA -0.322 55.865 56.287 -0.167 0.000 0.993 130 K CB 0.940 33.354 32.500 -0.144 0.000 1.199 130 K HN 0.674 nan 8.250 nan 0.000 0.598 131 Q N 0.489 120.169 119.800 -0.199 0.000 2.224 131 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 131 Q C 0.205 176.129 176.000 -0.126 0.000 0.970 131 Q CA 1.480 57.186 55.803 -0.162 0.000 0.865 131 Q CB 0.001 28.547 28.738 -0.322 0.000 0.922 131 Q HN 0.268 nan 8.270 nan 0.000 0.445 132 N N 1.344 119.950 118.700 -0.155 0.000 2.453 132 N HA -0.043 4.697 4.740 -0.000 0.000 0.183 132 N C 1.487 176.908 175.510 -0.148 0.000 1.041 132 N CA 0.625 53.584 53.050 -0.151 0.000 0.900 132 N CB -0.229 38.139 38.487 -0.199 0.000 0.961 132 N HN 0.344 nan 8.380 nan 0.000 0.443 133 R N 0.162 120.498 120.500 -0.272 0.000 2.193 133 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 133 R C 1.103 177.348 176.300 -0.092 0.000 1.110 133 R CA 0.770 56.589 56.100 -0.468 0.000 0.988 133 R CB 0.120 29.935 30.300 -0.809 0.000 0.871 133 R HN 0.130 nan 8.270 nan 0.000 0.458 134 R N 0.249 120.732 120.500 -0.027 0.000 2.280 134 R HA 0.093 4.433 4.340 -0.000 0.000 0.195 134 R C -0.046 176.296 176.300 0.070 0.000 0.935 134 R CA -0.084 56.044 56.100 0.047 0.000 1.033 134 R CB -0.500 29.826 30.300 0.043 0.000 0.964 134 R HN 0.110 nan 8.270 nan 0.000 0.489 135 N N 1.656 120.389 118.700 0.056 0.000 2.294 135 N HA -0.086 4.653 4.740 -0.000 0.000 0.263 135 N C 1.090 176.664 175.510 0.105 0.000 1.281 135 N CA 0.538 53.632 53.050 0.073 0.000 0.846 135 N CB 0.733 39.264 38.487 0.074 0.000 1.061 135 N HN 0.125 nan 8.380 nan 0.000 0.478 136 A N 2.725 125.597 122.820 0.086 0.000 1.917 136 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 136 A C 2.139 179.779 177.584 0.093 0.000 1.182 136 A CA 2.327 54.415 52.037 0.085 0.000 0.633 136 A CB -1.133 17.905 19.000 0.064 0.000 0.819 136 A HN 0.796 nan 8.150 nan 0.000 0.448 137 T N -1.190 113.421 114.554 0.095 0.000 2.684 137 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 137 T C 1.790 176.593 174.700 0.171 0.000 1.036 137 T CA 1.606 63.772 62.100 0.111 0.000 1.148 137 T CB -0.555 68.384 68.868 0.119 0.000 0.863 137 T HN 0.317 nan 8.240 nan 0.000 0.436 138 L N 0.167 121.508 121.223 0.196 0.000 2.179 138 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 138 L C 3.284 180.313 176.870 0.264 0.000 1.096 138 L CA 0.649 55.644 54.840 0.259 0.000 0.779 138 L CB -0.534 41.723 42.059 0.331 0.000 0.922 138 L HN 0.167 nan 8.230 nan 0.000 0.443 139 Q N 0.362 120.313 119.800 0.252 0.000 2.077 139 Q HA -0.205 4.134 4.340 -0.000 0.000 0.206 139 Q C 2.363 178.450 176.000 0.146 0.000 0.989 139 Q CA 1.694 57.621 55.803 0.206 0.000 0.853 139 Q CB -0.440 28.402 28.738 0.172 0.000 0.907 139 Q HN 0.516 nan 8.270 nan 0.000 0.418 140 L N -0.424 120.891 121.223 0.154 0.000 2.083 140 L HA -0.169 4.170 4.340 -0.000 0.000 0.209 140 L C 2.441 179.499 176.870 0.314 0.000 1.083 140 L CA 0.698 55.650 54.840 0.187 0.000 0.752 140 L CB -0.462 41.662 42.059 0.108 0.000 0.899 140 L HN 0.040 nan 8.230 nan 0.000 0.433 141 V N 0.041 120.155 119.914 0.333 0.000 2.343 141 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 141 V C 2.564 178.735 176.094 0.128 0.000 1.051 141 V CA 1.903 64.401 62.300 0.330 0.000 1.036 141 V CB -0.416 31.582 31.823 0.291 0.000 0.654 141 V HN 0.388 nan 8.190 nan 0.000 0.451 142 K N 0.823 121.223 120.400 -0.001 0.000 2.032 142 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 142 K C 2.041 178.579 176.600 -0.103 0.000 1.048 142 K CA 1.775 57.949 56.287 -0.188 0.000 0.927 142 K CB -0.350 31.971 32.500 -0.299 0.000 0.712 142 K HN 0.318 nan 8.250 nan 0.000 0.441 143 K N -0.266 120.117 120.400 -0.030 0.000 2.032 143 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 143 K C 2.048 178.580 176.600 -0.114 0.000 1.048 143 K CA 1.574 57.830 56.287 -0.051 0.000 0.927 143 K CB -0.364 32.126 32.500 -0.018 0.000 0.712 143 K HN 0.292 nan 8.250 nan 0.000 0.441 144 A N 0.659 123.411 122.820 -0.113 0.000 1.930 144 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 144 A C 2.096 179.631 177.584 -0.081 0.000 1.175 144 A CA 1.246 53.118 52.037 -0.276 0.000 0.627 144 A CB -0.555 18.124 19.000 -0.534 0.000 0.815 144 A HN 0.220 nan 8.150 nan 0.000 0.443 145 I N -0.538 120.068 120.570 0.061 0.000 2.315 145 I HA -0.225 3.944 4.170 -0.000 0.000 0.248 145 I C 2.333 178.416 176.117 -0.057 0.000 1.117 145 I CA 1.383 62.714 61.300 0.051 0.000 1.404 145 I CB -0.296 37.638 38.000 -0.110 0.000 1.071 145 I HN 0.407 nan 8.210 nan 0.000 0.419 146 E N 0.372 120.518 120.200 -0.090 0.000 2.208 146 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 146 E C 1.300 177.855 176.600 -0.075 0.000 0.988 146 E CA 0.630 56.978 56.400 -0.087 0.000 0.828 146 E CB 0.069 29.719 29.700 -0.084 0.000 0.763 146 E HN 0.555 nan 8.360 nan 0.000 0.478 147 Q N -0.445 119.297 119.800 -0.095 0.000 2.217 147 Q HA 0.176 4.516 4.340 -0.000 0.000 0.226 147 Q C 0.602 176.545 176.000 -0.096 0.000 0.875 147 Q CA 0.240 55.989 55.803 -0.090 0.000 0.974 147 Q CB 0.934 29.604 28.738 -0.113 0.000 1.079 147 Q HN 0.312 nan 8.270 nan 0.000 0.463 148 G N 1.499 110.251 108.800 -0.081 0.000 2.187 148 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.261 148 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.261 148 G C 0.877 175.726 174.900 -0.085 0.000 1.000 148 G CA 0.670 45.729 45.100 -0.068 0.000 0.718 148 G HN 0.438 nan 8.290 nan 0.000 0.519 149 R N -1.183 119.217 120.500 -0.167 0.000 2.193 149 R HA 0.068 4.408 4.340 -0.000 0.000 0.229 149 R C 1.826 178.033 176.300 -0.154 0.000 1.110 149 R CA 1.290 57.220 56.100 -0.284 0.000 0.988 149 R CB -0.245 29.620 30.300 -0.726 0.000 0.871 149 R HN 0.478 nan 8.270 nan 0.000 0.458 150 F N 0.470 120.386 119.950 -0.056 0.000 2.710 150 F HA 0.144 4.671 4.527 -0.000 0.000 0.298 150 F C 1.859 177.563 175.800 -0.160 0.000 1.137 150 F CA 0.718 58.687 58.000 -0.052 0.000 1.444 150 F CB -0.145 38.766 39.000 -0.149 0.000 1.111 150 F HN 0.164 nan 8.300 nan 0.000 0.580 151 G N 0.546 109.349 108.800 0.005 0.000 2.598 151 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.269 151 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.269 151 G C -0.186 174.603 174.900 -0.185 0.000 1.289 151 G CA -0.327 44.724 45.100 -0.082 0.000 0.926 151 G HN 0.332 nan 8.290 nan 0.000 0.567 152 R N 0.449 120.796 120.500 -0.256 0.000 2.473 152 R HA 0.225 4.565 4.340 -0.000 0.000 0.315 152 R C 0.955 176.829 176.300 -0.710 0.000 0.972 152 R CA 0.011 55.881 56.100 -0.384 0.000 1.047 152 R CB -0.502 29.657 30.300 -0.235 0.000 0.932 152 R HN 0.426 nan 8.270 nan 0.000 0.411 153 I N 7.027 127.220 120.570 -0.628 0.000 2.471 153 I HA -0.040 4.130 4.170 -0.000 0.000 0.286 153 I C 0.214 176.065 176.117 -0.443 0.000 1.079 153 I CA 0.149 61.074 61.300 -0.624 0.000 1.398 153 I CB 0.476 38.083 38.000 -0.655 0.000 1.403 153 I HN 0.736 nan 8.210 nan 0.000 0.530 154 Y N 4.581 124.801 120.300 -0.133 0.000 2.609 154 Y HA 0.253 4.802 4.550 -0.001 0.000 0.281 154 Y C 0.598 176.473 175.900 -0.042 0.000 1.132 154 Y CA -0.331 57.736 58.100 -0.056 0.000 1.264 154 Y CB 0.159 38.601 38.460 -0.029 0.000 1.325 154 Y HN 0.532 nan 8.280 nan 0.000 0.514 155 M N 0.130 119.778 119.600 0.080 0.000 2.324 155 M HA 0.687 5.167 4.480 -0.000 0.000 0.288 155 M C -2.319 173.963 176.300 -0.031 0.000 1.097 155 M CA -0.738 54.600 55.300 0.064 0.000 0.928 155 M CB 2.042 34.701 32.600 0.098 0.000 1.648 155 M HN -0.215 nan 8.290 nan 0.000 0.460 156 V N 3.788 123.707 119.914 0.008 0.000 2.569 156 V HA 0.775 4.895 4.120 -0.000 0.000 0.301 156 V C -0.824 175.340 176.094 0.116 0.000 1.044 156 V CA -0.437 61.852 62.300 -0.018 0.000 0.874 156 V CB 2.190 33.913 31.823 -0.168 0.000 1.002 156 V HN 0.942 nan 8.190 nan 0.000 0.424 157 T N 3.630 118.235 114.554 0.084 0.000 2.861 157 T HA 0.739 5.089 4.350 -0.000 0.000 0.287 157 T C -0.742 174.004 174.700 0.077 0.000 1.003 157 T CA -0.637 61.524 62.100 0.102 0.000 0.977 157 T CB 2.123 71.040 68.868 0.082 0.000 0.996 157 T HN 0.325 nan 8.240 nan 0.000 0.448 158 V N 3.305 123.263 119.914 0.072 0.000 2.531 158 V HA 0.553 4.673 4.120 -0.000 0.000 0.301 158 V C -0.872 175.152 176.094 -0.117 0.000 1.034 158 V CA -0.940 61.376 62.300 0.026 0.000 0.865 158 V CB 1.969 33.857 31.823 0.108 0.000 0.995 158 V HN 0.784 nan 8.190 nan 0.000 0.424 159 N N 2.794 121.316 118.700 -0.297 0.000 2.354 159 N HA 0.602 5.342 4.740 -0.000 0.000 0.287 159 N C -1.007 173.988 175.510 -0.859 0.000 1.016 159 N CA -0.310 52.309 53.050 -0.718 0.000 0.871 159 N CB 2.351 40.253 38.487 -0.975 0.000 1.299 159 N HN 0.380 nan 8.380 nan 0.000 0.482 160 V N 3.586 122.968 119.914 -0.887 0.000 2.305 160 V HA 0.404 4.523 4.120 -0.000 0.000 0.275 160 V C -0.986 174.805 176.094 -0.504 0.000 1.020 160 V CA -0.575 61.138 62.300 -0.978 0.000 0.811 160 V CB -0.061 31.031 31.823 -1.218 0.000 1.031 160 V HN 0.403 nan 8.190 nan 0.000 0.439 161 F N 3.715 123.504 119.950 -0.268 0.000 2.310 161 F HA 0.602 5.129 4.527 -0.001 0.000 0.365 161 F C -0.239 175.695 175.800 0.223 0.000 1.080 161 F CA -1.431 56.554 58.000 -0.026 0.000 1.187 161 F CB 0.535 39.548 39.000 0.022 0.000 1.465 161 F HN 0.382 nan 8.300 nan 0.000 0.496 162 W N 0.387 121.734 121.300 0.078 0.000 3.164 162 W HA 0.654 5.314 4.660 -0.000 0.000 0.325 162 W C -0.474 176.035 176.519 -0.016 0.000 1.228 162 W CA -1.337 56.006 57.345 -0.005 0.000 1.024 162 W CB 1.123 30.545 29.460 -0.063 0.000 1.534 162 W HN -0.087 nan 8.180 nan 0.000 0.614 163 T N 3.392 118.032 114.554 0.144 0.000 2.840 163 T HA 0.551 4.900 4.350 -0.000 0.000 0.287 163 T C -0.569 174.094 174.700 -0.062 0.000 0.991 163 T CA -0.814 61.303 62.100 0.029 0.000 0.964 163 T CB 1.219 70.070 68.868 -0.030 0.000 0.954 163 T HN 0.018 nan 8.240 nan 0.000 0.438 164 R N 3.548 124.038 120.500 -0.017 0.000 2.500 164 R HA 0.401 4.741 4.340 -0.000 0.000 0.299 164 R C -3.029 173.332 176.300 0.103 0.000 1.038 164 R CA -1.907 54.115 56.100 -0.130 0.000 0.903 164 R CB 2.106 32.217 30.300 -0.315 0.000 1.177 164 R HN 0.403 nan 8.270 nan 0.000 0.455 165 P HA 0.140 nan 4.420 nan 0.000 0.278 165 P C 0.313 177.762 177.300 0.249 0.000 1.266 165 P CA -0.429 62.756 63.100 0.142 0.000 0.807 165 P CB 1.072 32.818 31.700 0.076 0.000 1.094 166 Q N 0.860 120.784 119.800 0.207 0.000 2.170 166 Q HA -0.209 4.131 4.340 -0.000 0.000 0.203 166 Q C 1.769 177.890 176.000 0.202 0.000 0.976 166 Q CA 1.916 57.861 55.803 0.237 0.000 0.858 166 Q CB -0.602 28.206 28.738 0.117 0.000 0.907 166 Q HN 0.467 nan 8.270 nan 0.000 0.433 167 E N -0.795 119.481 120.200 0.126 0.000 2.204 167 E HA -0.245 4.104 4.350 -0.000 0.000 0.195 167 E C 1.761 178.393 176.600 0.052 0.000 0.990 167 E CA 1.151 57.594 56.400 0.072 0.000 0.821 167 E CB -0.949 28.780 29.700 0.048 0.000 0.750 167 E HN 0.607 nan 8.360 nan 0.000 0.477 168 Y N 1.428 121.676 120.300 -0.086 0.000 2.114 168 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 168 Y C 1.827 177.543 175.900 -0.306 0.000 1.165 168 Y CA 1.864 59.823 58.100 -0.234 0.000 1.148 168 Y CB -0.581 37.647 38.460 -0.387 0.000 0.972 168 Y HN -0.086 nan 8.280 nan 0.000 0.504 169 Y N 0.261 120.475 120.300 -0.144 0.000 2.373 169 Y HA -0.136 4.414 4.550 -0.000 0.000 0.293 169 Y C 2.098 177.831 175.900 -0.279 0.000 1.129 169 Y CA 1.456 59.376 58.100 -0.300 0.000 1.226 169 Y CB -0.228 38.170 38.460 -0.103 0.000 1.000 169 Y HN 0.207 nan 8.280 nan 0.000 0.549 170 D N -0.698 119.673 120.400 -0.048 0.000 2.305 170 D HA 0.012 4.652 4.640 -0.000 0.000 0.206 170 D C 2.221 178.466 176.300 -0.093 0.000 0.974 170 D CA 0.868 54.841 54.000 -0.045 0.000 0.871 170 D CB -0.254 40.545 40.800 -0.002 0.000 0.947 170 D HN 0.280 nan 8.370 nan 0.000 0.516 171 A N 1.017 123.750 122.820 -0.145 0.000 1.927 171 A HA 0.049 4.368 4.320 -0.000 0.000 0.220 171 A C 1.296 178.798 177.584 -0.137 0.000 1.185 171 A CA 1.821 53.775 52.037 -0.137 0.000 0.639 171 A CB -0.150 18.749 19.000 -0.168 0.000 0.820 171 A HN 0.277 nan 8.150 nan 0.000 0.451 172 A N -2.723 119.960 122.820 -0.228 0.000 2.475 172 A HA 0.672 4.992 4.320 -0.000 0.000 0.301 172 A C 0.585 178.068 177.584 -0.169 0.000 1.059 172 A CA -0.497 51.451 52.037 -0.147 0.000 0.710 172 A CB 0.829 19.804 19.000 -0.042 0.000 1.288 172 A HN 0.245 nan 8.150 nan 0.000 0.408 173 R N 1.019 121.510 120.500 -0.014 0.000 2.193 173 R HA -0.099 4.240 4.340 -0.000 0.000 0.229 173 R C 1.454 177.799 176.300 0.076 0.000 1.110 173 R CA 2.177 58.288 56.100 0.017 0.000 0.988 173 R CB -0.051 30.274 30.300 0.042 0.000 0.871 173 R HN 0.925 nan 8.270 nan 0.000 0.458 174 W N 0.881 122.165 121.300 -0.026 0.000 2.905 174 W HA 0.121 4.781 4.660 -0.001 0.000 0.251 174 W C -0.165 176.439 176.519 0.142 0.000 1.305 174 W CA -0.424 56.949 57.345 0.046 0.000 1.465 174 W CB -0.218 29.212 29.460 -0.050 0.000 1.122 174 W HN -0.173 nan 8.180 nan 0.000 0.659 175 R N 0.902 121.090 120.500 -0.519 0.000 2.438 175 R HA 0.271 4.611 4.340 -0.000 0.000 0.287 175 R C 1.346 177.573 176.300 -0.121 0.000 1.077 175 R CA 0.908 56.589 56.100 -0.698 0.000 1.034 175 R CB 0.509 30.270 30.300 -0.899 0.000 0.993 175 R HN 0.285 nan 8.270 nan 0.000 0.459 176 G N 2.049 110.853 108.800 0.008 0.000 2.184 176 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.264 176 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.264 176 G C -0.105 174.705 174.900 -0.150 0.000 0.975 176 G CA 0.120 45.198 45.100 -0.036 0.000 0.642 176 G HN 0.483 nan 8.290 nan 0.000 0.536 177 K N -0.534 119.866 120.400 0.000 0.000 2.174 177 K HA 0.345 4.664 4.320 -0.000 0.000 0.275 177 K C 1.016 177.617 176.600 0.001 0.000 1.015 177 K CA -0.562 55.719 56.287 -0.009 0.000 0.933 177 K CB 0.917 33.570 32.500 0.255 0.000 1.025 177 K HN 0.262 nan 8.250 nan 0.000 0.463 178 W N 1.500 122.824 121.300 0.041 0.000 2.333 178 W HA -0.216 4.444 4.660 -0.000 0.000 0.316 178 W C 2.195 178.689 176.519 -0.043 0.000 1.215 178 W CA 1.028 58.377 57.345 0.006 0.000 1.278 178 W CB -0.200 29.234 29.460 -0.042 0.000 1.154 178 W HN 0.776 nan 8.180 nan 0.000 0.486 179 E N -0.511 119.696 120.200 0.011 0.000 2.058 179 E HA -0.244 4.105 4.350 -0.000 0.000 0.194 179 E C 1.722 178.081 176.600 -0.402 0.000 0.997 179 E CA 2.124 58.279 56.400 -0.409 0.000 0.801 179 E CB -0.485 28.621 29.700 -0.990 0.000 0.746 179 E HN 0.428 nan 8.360 nan 0.000 0.450 180 W N -0.904 120.543 121.300 0.245 0.000 2.704 180 W HA 0.161 4.821 4.660 -0.000 0.000 0.266 180 W C 1.800 178.528 176.519 0.347 0.000 1.266 180 W CA 0.038 57.538 57.345 0.259 0.000 1.377 180 W CB 0.514 30.170 29.460 0.325 0.000 1.082 180 W HN 0.133 nan 8.180 nan 0.000 0.608 181 D N -2.506 118.206 120.400 0.521 0.000 2.259 181 D HA 0.190 4.830 4.640 -0.000 0.000 0.301 181 D C 1.275 177.800 176.300 0.374 0.000 1.149 181 D CA 1.782 56.103 54.000 0.535 0.000 1.012 181 D CB 0.092 41.184 40.800 0.486 0.000 1.797 181 D HN -0.018 nan 8.370 nan 0.000 0.513 182 G N -0.202 108.789 108.800 0.318 0.000 2.693 182 G HA2 0.212 4.172 3.960 -0.000 0.000 0.226 182 G HA3 0.212 4.172 3.960 -0.000 0.000 0.226 182 G C 0.481 175.512 174.900 0.217 0.000 1.354 182 G CA -0.037 45.287 45.100 0.373 0.000 0.873 182 G HN 0.713 nan 8.290 nan 0.000 0.562 183 G N -2.410 106.574 108.800 0.307 0.000 2.990 183 G HA2 0.756 4.716 3.960 -0.000 0.000 0.208 183 G HA3 0.756 4.716 3.960 -0.000 0.000 0.208 183 G C 1.491 176.577 174.900 0.309 0.000 1.334 183 G CA 1.214 46.429 45.100 0.192 0.000 1.024 183 G HN 2.022 nan 8.290 nan 0.000 0.574 184 A N -0.995 121.975 122.820 0.250 0.000 1.958 184 A HA -0.041 4.278 4.320 -0.000 0.000 0.221 184 A C 2.090 179.738 177.584 0.108 0.000 1.178 184 A CA 1.966 54.096 52.037 0.155 0.000 0.642 184 A CB -0.628 18.391 19.000 0.031 0.000 0.816 184 A HN 0.440 nan 8.150 nan 0.000 0.453 185 F N -1.437 118.645 119.950 0.220 0.000 2.118 185 F HA -0.011 4.515 4.527 -0.000 0.000 0.293 185 F C 2.536 178.390 175.800 0.090 0.000 1.102 185 F CA 1.779 59.862 58.000 0.139 0.000 1.247 185 F CB -0.279 38.803 39.000 0.138 0.000 1.017 185 F HN 0.215 nan 8.300 nan 0.000 0.475 186 M N -0.365 119.446 119.600 0.352 0.000 2.200 186 M HA -0.154 4.325 4.480 -0.000 0.000 0.265 186 M C 2.045 178.469 176.300 0.206 0.000 1.066 186 M CA 1.413 56.838 55.300 0.208 0.000 1.127 186 M CB -0.166 32.602 32.600 0.280 0.000 1.379 186 M HN 0.072 nan 8.290 nan 0.000 0.420 187 N N -0.151 118.703 118.700 0.257 0.000 2.202 187 N HA -0.103 4.637 4.740 -0.000 0.000 0.191 187 N C 1.522 177.172 175.510 0.234 0.000 1.054 187 N CA 1.682 54.888 53.050 0.259 0.000 0.877 187 N CB -0.271 38.401 38.487 0.308 0.000 1.057 187 N HN 0.299 nan 8.380 nan 0.000 0.456 188 Q N 0.170 120.109 119.800 0.233 0.000 2.096 188 Q HA 0.253 4.593 4.340 -0.000 0.000 0.197 188 Q C 1.513 177.611 176.000 0.164 0.000 0.964 188 Q CA 1.590 57.555 55.803 0.271 0.000 0.838 188 Q CB -0.216 28.682 28.738 0.267 0.000 0.906 188 Q HN 0.502 nan 8.270 nan 0.000 0.444 189 A N 0.160 122.978 122.820 -0.004 0.000 2.275 189 A HA 0.055 4.375 4.320 -0.000 0.000 0.212 189 A C 1.915 179.589 177.584 0.150 0.000 1.201 189 A CA 0.608 52.610 52.037 -0.057 0.000 0.843 189 A CB -0.398 18.399 19.000 -0.337 0.000 0.873 189 A HN 0.357 nan 8.150 nan 0.000 0.492 190 S N 0.260 116.020 115.700 0.101 0.000 2.383 190 S HA -0.267 4.202 4.470 -0.000 0.000 0.229 190 S C 1.703 176.278 174.600 -0.041 0.000 1.030 190 S CA 1.410 59.620 58.200 0.017 0.000 1.002 190 S CB -1.048 62.120 63.200 -0.053 0.000 0.829 190 S HN 0.729 nan 8.310 nan 0.000 0.467 191 H N 0.050 119.151 119.070 0.053 0.000 2.460 191 H HA -0.097 4.459 4.556 -0.000 0.000 0.297 191 H C 1.600 176.758 175.328 -0.283 0.000 1.103 191 H CA 1.896 57.863 56.048 -0.135 0.000 1.292 191 H CB -0.371 29.262 29.762 -0.215 0.000 1.376 191 H HN 0.626 nan 8.280 nan 0.000 0.531 192 Y N -0.373 119.973 120.300 0.076 0.000 2.389 192 Y HA -0.040 4.510 4.550 -0.001 0.000 0.292 192 Y C 2.724 178.663 175.900 0.066 0.000 1.117 192 Y CA 0.111 58.233 58.100 0.038 0.000 1.195 192 Y CB -0.062 38.351 38.460 -0.079 0.000 1.076 192 Y HN -0.128 nan 8.280 nan 0.000 0.548 193 V N 0.481 120.509 119.914 0.190 0.000 2.392 193 V HA -0.320 3.799 4.120 -0.000 0.000 0.249 193 V C 1.863 178.026 176.094 0.115 0.000 1.059 193 V CA 2.313 64.701 62.300 0.147 0.000 1.051 193 V CB -0.558 31.341 31.823 0.126 0.000 0.658 193 V HN 0.389 nan 8.190 nan 0.000 0.455 194 D N 0.112 120.559 120.400 0.078 0.000 2.149 194 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 194 D C 1.971 178.378 176.300 0.179 0.000 0.990 194 D CA 1.280 55.324 54.000 0.073 0.000 0.839 194 D CB -0.175 40.611 40.800 -0.023 0.000 0.948 194 D HN 0.428 nan 8.370 nan 0.000 0.460 195 L N -0.105 121.231 121.223 0.189 0.000 2.191 195 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 195 L C 2.463 179.520 176.870 0.311 0.000 1.103 195 L CA 0.408 55.433 54.840 0.308 0.000 0.769 195 L CB -0.542 41.651 42.059 0.223 0.000 0.908 195 L HN 0.203 nan 8.230 nan 0.000 0.438 196 L N -0.259 121.141 121.223 0.296 0.000 1.990 196 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 196 L C 2.498 179.646 176.870 0.463 0.000 1.072 196 L CA 1.777 56.868 54.840 0.418 0.000 0.755 196 L CB -0.679 41.558 42.059 0.297 0.000 0.889 196 L HN 0.378 nan 8.230 nan 0.000 0.432 197 D N -0.830 119.758 120.400 0.312 0.000 2.144 197 D HA -0.209 4.431 4.640 -0.000 0.000 0.207 197 D C 2.053 178.516 176.300 0.272 0.000 0.970 197 D CA 0.709 54.876 54.000 0.280 0.000 0.853 197 D CB -0.103 40.803 40.800 0.178 0.000 1.007 197 D HN 0.329 nan 8.370 nan 0.000 0.469 198 W N 1.665 123.025 121.300 0.099 0.000 2.305 198 W HA -0.181 4.479 4.660 -0.001 0.000 0.308 198 W C 2.139 178.696 176.519 0.063 0.000 1.226 198 W CA 1.562 58.950 57.345 0.072 0.000 1.253 198 W CB -0.549 28.946 29.460 0.058 0.000 1.146 198 W HN 0.019 nan 8.180 nan 0.000 0.507 199 L N -1.465 119.739 121.223 -0.031 0.000 2.200 199 L HA -0.082 4.258 4.340 -0.000 0.000 0.200 199 L C 2.049 178.787 176.870 -0.221 0.000 1.072 199 L CA 0.849 55.514 54.840 -0.292 0.000 0.787 199 L CB -0.764 41.216 42.059 -0.132 0.000 0.957 199 L HN -0.228 nan 8.230 nan 0.000 0.459 200 V N -1.110 118.744 119.914 -0.099 0.000 3.125 200 V HA 0.371 4.490 4.120 -0.000 0.000 0.249 200 V C 0.850 176.914 176.094 -0.051 0.000 1.113 200 V CA 0.727 62.888 62.300 -0.232 0.000 1.106 200 V CB 0.132 31.621 31.823 -0.557 0.000 0.768 200 V HN 0.593 nan 8.190 nan 0.000 0.468 201 G N -0.000 108.892 108.800 0.153 0.000 2.331 201 G HA2 0.023 3.982 3.960 -0.000 0.000 0.402 201 G HA3 0.023 3.982 3.960 -0.000 0.000 0.402 201 G C -3.307 171.791 174.900 0.330 0.000 1.275 201 G CA -0.953 44.274 45.100 0.211 0.000 1.003 201 G HN 0.034 nan 8.290 nan 0.000 0.500 202 P HA 0.368 nan 4.420 nan 0.000 0.267 202 P C 0.284 177.589 177.300 0.008 0.000 1.209 202 P CA -0.228 62.928 63.100 0.093 0.000 0.763 202 P CB 0.980 32.706 31.700 0.043 0.000 0.816 203 V N 3.955 123.759 119.914 -0.183 0.000 2.614 203 V HA 0.015 4.134 4.120 -0.000 0.000 0.291 203 V C 1.701 177.626 176.094 -0.282 0.000 1.049 203 V CA 0.426 62.451 62.300 -0.460 0.000 1.038 203 V CB 0.899 32.391 31.823 -0.552 0.000 0.980 203 V HN 0.655 nan 8.190 nan 0.000 0.481 204 E N 3.218 123.254 120.200 -0.274 0.000 2.075 204 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 204 E C 0.698 177.191 176.600 -0.178 0.000 0.969 204 E CA 0.918 57.217 56.400 -0.169 0.000 0.815 204 E CB 0.498 30.132 29.700 -0.111 0.000 0.776 204 E HN 0.864 nan 8.360 nan 0.000 0.457 205 S N -0.875 114.697 115.700 -0.213 0.000 2.611 205 S HA 0.507 4.977 4.470 -0.000 0.000 0.268 205 S C -0.875 173.602 174.600 -0.205 0.000 1.156 205 S CA -0.479 57.610 58.200 -0.186 0.000 0.817 205 S CB 1.582 64.709 63.200 -0.122 0.000 1.122 205 S HN 0.380 nan 8.310 nan 0.000 0.466 206 V N -0.886 118.922 119.914 -0.176 0.000 2.962 206 V HA 0.881 5.001 4.120 -0.000 0.000 0.313 206 V C -1.634 174.404 176.094 -0.093 0.000 1.099 206 V CA -0.862 61.343 62.300 -0.158 0.000 0.971 206 V CB 1.493 33.188 31.823 -0.213 0.000 1.028 206 V HN 1.196 nan 8.190 nan 0.000 0.430 207 Y N 2.413 122.618 120.300 -0.160 0.000 2.391 207 Y HA 0.871 5.420 4.550 -0.001 0.000 0.341 207 Y C -0.107 175.674 175.900 -0.198 0.000 0.965 207 Y CA 0.025 58.013 58.100 -0.186 0.000 1.067 207 Y CB 1.814 40.167 38.460 -0.179 0.000 1.199 207 Y HN 1.256 nan 8.280 nan 0.000 0.450 208 A N 4.749 127.110 122.820 -0.764 0.000 2.435 208 A HA 0.745 5.065 4.320 -0.000 0.000 0.304 208 A C -2.375 174.930 177.584 -0.465 0.000 1.064 208 A CA -0.579 51.221 52.037 -0.395 0.000 0.727 208 A CB 0.899 19.692 19.000 -0.345 0.000 1.284 208 A HN 0.718 nan 8.150 nan 0.000 0.415 209 Y N 0.601 120.904 120.300 0.005 0.000 2.364 209 Y HA 0.620 5.169 4.550 -0.001 0.000 0.340 209 Y C 0.909 176.850 175.900 0.068 0.000 0.975 209 Y CA -0.049 58.081 58.100 0.049 0.000 1.089 209 Y CB 2.484 41.022 38.460 0.130 0.000 1.192 209 Y HN 0.816 nan 8.280 nan 0.000 0.454 210 T N -0.247 114.429 114.554 0.204 0.000 2.901 210 T HA 0.988 5.338 4.350 -0.000 0.000 0.293 210 T C -0.856 173.944 174.700 0.168 0.000 1.084 210 T CA -0.851 61.375 62.100 0.211 0.000 1.008 210 T CB 2.096 71.078 68.868 0.190 0.000 1.170 210 T HN 0.928 nan 8.240 nan 0.000 0.509 211 A N 0.645 123.554 122.820 0.149 0.000 2.612 211 A HA 0.695 5.015 4.320 -0.000 0.000 0.293 211 A C -0.368 177.254 177.584 0.063 0.000 1.075 211 A CA -0.985 51.110 52.037 0.097 0.000 0.680 211 A CB 1.201 20.249 19.000 0.079 0.000 1.279 211 A HN 0.860 nan 8.150 nan 0.000 0.411 212 T N 2.779 117.348 114.554 0.026 0.000 2.997 212 T HA 0.331 4.681 4.350 -0.000 0.000 0.311 212 T C 1.084 175.776 174.700 -0.014 0.000 1.079 212 T CA -0.007 62.080 62.100 -0.022 0.000 0.982 212 T CB -0.391 68.439 68.868 -0.064 0.000 1.032 212 T HN 0.457 nan 8.240 nan 0.000 0.581 213 L N 1.039 122.260 121.223 -0.004 0.000 2.341 213 L HA 0.200 4.540 4.340 -0.000 0.000 0.214 213 L C 2.172 179.035 176.870 -0.011 0.000 1.115 213 L CA 0.627 55.466 54.840 -0.001 0.000 0.820 213 L CB -0.102 41.962 42.059 0.008 0.000 0.944 213 L HN 0.701 nan 8.230 nan 0.000 0.452 214 A N -2.050 120.758 122.820 -0.021 0.000 1.857 214 A HA 0.222 4.542 4.320 -0.000 0.000 0.198 214 A C 0.678 178.236 177.584 -0.043 0.000 1.775 214 A CA -0.377 51.648 52.037 -0.020 0.000 1.281 214 A CB 0.425 19.425 19.000 0.001 0.000 1.355 214 A HN -0.028 nan 8.150 nan 0.000 0.417 215 R N 1.126 121.575 120.500 -0.085 0.000 2.641 215 R HA 0.288 4.628 4.340 -0.000 0.000 0.269 215 R C -0.525 175.678 176.300 -0.162 0.000 1.074 215 R CA -0.152 55.860 56.100 -0.147 0.000 1.133 215 R CB 0.104 30.199 30.300 -0.341 0.000 1.029 215 R HN 0.291 nan 8.270 nan 0.000 0.488 216 R N 3.231 123.650 120.500 -0.135 0.000 2.408 216 R HA 0.306 4.646 4.340 -0.000 0.000 0.308 216 R C 0.126 176.322 176.300 -0.173 0.000 1.210 216 R CA 0.023 56.053 56.100 -0.116 0.000 1.115 216 R CB -0.204 30.060 30.300 -0.060 0.000 1.127 216 R HN 0.544 nan 8.270 nan 0.000 0.523 217 I N -2.498 117.935 120.570 -0.229 0.000 3.263 217 I HA 0.319 4.489 4.170 -0.000 0.000 0.314 217 I C 0.295 176.247 176.117 -0.275 0.000 1.269 217 I CA -1.049 60.083 61.300 -0.280 0.000 0.942 217 I CB 2.060 39.774 38.000 -0.476 0.000 1.305 217 I HN 0.170 nan 8.210 nan 0.000 0.474 218 E N 1.121 121.109 120.200 -0.353 0.000 2.140 218 E HA 0.209 4.559 4.350 -0.000 0.000 0.191 218 E C 0.866 176.975 176.600 -0.818 0.000 0.973 218 E CA 0.747 56.864 56.400 -0.472 0.000 0.829 218 E CB 0.279 29.655 29.700 -0.541 0.000 0.781 218 E HN 0.687 nan 8.360 nan 0.000 0.466 219 A N 1.964 124.173 122.820 -1.019 0.000 2.378 219 A HA 0.213 4.533 4.320 -0.000 0.000 0.293 219 A C 0.100 177.372 177.584 -0.520 0.000 1.250 219 A CA -0.662 50.553 52.037 -1.370 0.000 0.915 219 A CB 0.412 18.828 19.000 -0.974 0.000 1.402 219 A HN 0.073 nan 8.150 nan 0.000 0.502 220 E N -0.152 119.894 120.200 -0.256 0.000 2.313 220 E HA 0.194 4.544 4.350 -0.000 0.000 0.272 220 E C -1.080 175.527 176.600 0.013 0.000 1.038 220 E CA 0.099 56.489 56.400 -0.018 0.000 0.863 220 E CB 1.220 31.013 29.700 0.155 0.000 1.060 220 E HN 0.585 nan 8.360 nan 0.000 0.402 221 D N 0.930 121.337 120.400 0.013 0.000 2.407 221 D HA 0.114 4.754 4.640 -0.000 0.000 0.208 221 D C -0.376 175.967 176.300 0.073 0.000 1.083 221 D CA -0.069 53.950 54.000 0.032 0.000 0.844 221 D CB 0.483 41.270 40.800 -0.020 0.000 0.967 221 D HN 0.302 nan 8.370 nan 0.000 0.506 222 T N -0.848 113.770 114.554 0.106 0.000 2.956 222 T HA 0.726 5.076 4.350 -0.000 0.000 0.312 222 T C -0.409 174.431 174.700 0.232 0.000 1.151 222 T CA -0.464 61.708 62.100 0.120 0.000 1.024 222 T CB 2.085 71.003 68.868 0.084 0.000 1.140 222 T HN 0.285 nan 8.240 nan 0.000 0.473 223 G N 0.148 109.125 108.800 0.294 0.000 2.506 223 G HA2 0.647 4.606 3.960 -0.000 0.000 0.292 223 G HA3 0.647 4.606 3.960 -0.000 0.000 0.292 223 G C -2.143 173.051 174.900 0.489 0.000 1.425 223 G CA -0.479 44.909 45.100 0.480 0.000 0.788 223 G HN 0.827 nan 8.290 nan 0.000 0.490 224 V N -0.660 119.542 119.914 0.480 0.000 2.888 224 V HA 0.879 4.999 4.120 -0.000 0.000 0.309 224 V C -0.696 175.591 176.094 0.321 0.000 1.114 224 V CA 0.013 62.560 62.300 0.411 0.000 0.940 224 V CB 1.656 33.669 31.823 0.316 0.000 1.021 224 V HN 2.050 nan 8.190 nan 0.000 0.426 225 A N 5.043 128.021 122.820 0.263 0.000 2.343 225 A HA 0.977 5.297 4.320 -0.000 0.000 0.316 225 A C -0.145 177.512 177.584 0.122 0.000 1.104 225 A CA -0.103 51.999 52.037 0.108 0.000 0.768 225 A CB 1.625 20.623 19.000 -0.004 0.000 1.213 225 A HN 1.944 nan 8.150 nan 0.000 0.456 226 A N 2.213 125.099 122.820 0.109 0.000 2.309 226 A HA 0.742 5.062 4.320 -0.000 0.000 0.298 226 A C -0.482 177.106 177.584 0.007 0.000 1.165 226 A CA -0.273 51.820 52.037 0.094 0.000 0.821 226 A CB 0.130 19.200 19.000 0.116 0.000 1.102 226 A HN 0.868 nan 8.150 nan 0.000 0.500 227 L N 1.493 122.703 121.223 -0.022 0.000 2.354 227 L HA 0.750 5.090 4.340 -0.000 0.000 0.269 227 L C 0.151 176.947 176.870 -0.123 0.000 1.005 227 L CA -0.676 54.047 54.840 -0.195 0.000 0.819 227 L CB 2.009 43.804 42.059 -0.440 0.000 1.311 227 L HN 0.855 nan 8.230 nan 0.000 0.423 228 R N 1.197 121.566 120.500 -0.218 0.000 2.628 228 R HA 0.440 4.780 4.340 -0.000 0.000 0.288 228 R C -1.566 174.633 176.300 -0.169 0.000 0.980 228 R CA -0.476 55.587 56.100 -0.062 0.000 0.891 228 R CB 1.728 32.017 30.300 -0.019 0.000 1.188 228 R HN 0.569 nan 8.270 nan 0.000 0.450 229 W N 3.526 124.754 121.300 -0.121 0.000 2.390 229 W HA 0.338 4.998 4.660 0.000 0.000 0.362 229 W C 1.084 177.441 176.519 -0.269 0.000 1.206 229 W CA -0.625 56.558 57.345 -0.271 0.000 1.355 229 W CB 1.341 30.471 29.460 -0.550 0.000 1.278 229 W HN 0.648 nan 8.180 nan 0.000 0.653 230 R N -0.361 120.095 120.500 -0.075 0.000 2.115 230 R HA -0.152 4.188 4.340 -0.000 0.000 0.226 230 R C 1.755 178.065 176.300 0.016 0.000 1.100 230 R CA 1.590 57.669 56.100 -0.035 0.000 0.980 230 R CB -0.287 30.002 30.300 -0.019 0.000 0.875 230 R HN 0.490 nan 8.270 nan 0.000 0.445 231 H N -1.712 117.439 119.070 0.135 0.000 2.556 231 H HA 0.224 4.780 4.556 -0.000 0.000 0.268 231 H C 1.118 176.501 175.328 0.092 0.000 0.996 231 H CA 0.605 56.700 56.048 0.079 0.000 1.157 231 H CB 0.025 29.804 29.762 0.028 0.000 1.355 231 H HN 0.336 nan 8.280 nan 0.000 0.597 232 G N -0.868 108.076 108.800 0.241 0.000 2.238 232 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 232 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 232 G C 0.712 175.794 174.900 0.303 0.000 0.996 232 G CA -0.039 45.209 45.100 0.246 0.000 0.632 232 G HN 0.896 nan 8.290 nan 0.000 0.503 233 A N 0.259 123.329 122.820 0.417 0.000 2.448 233 A HA 0.751 5.071 4.320 -0.000 0.000 0.239 233 A C 0.434 178.280 177.584 0.437 0.000 1.080 233 A CA 0.991 53.218 52.037 0.316 0.000 0.779 233 A CB 0.270 19.342 19.000 0.119 0.000 1.026 233 A HN 0.662 nan 8.150 nan 0.000 0.499 234 M N 0.076 119.885 119.600 0.349 0.000 2.716 234 M HA 0.675 5.155 4.480 -0.000 0.000 0.307 234 M C 0.457 177.010 176.300 0.421 0.000 1.223 234 M CA 0.339 55.864 55.300 0.375 0.000 0.871 234 M CB 2.755 35.479 32.600 0.207 0.000 1.739 234 M HN 1.039 nan 8.290 nan 0.000 0.475 235 G N -0.140 108.907 108.800 0.411 0.000 2.428 235 G HA2 0.633 4.593 3.960 -0.000 0.000 0.305 235 G HA3 0.633 4.593 3.960 -0.000 0.000 0.305 235 G C -1.939 173.100 174.900 0.233 0.000 1.260 235 G CA -0.299 44.993 45.100 0.320 0.000 0.853 235 G HN 0.889 nan 8.290 nan 0.000 0.480 236 S N -1.583 114.244 115.700 0.212 0.000 2.607 236 S HA 0.769 5.239 4.470 -0.000 0.000 0.273 236 S C -1.290 173.413 174.600 0.173 0.000 1.148 236 S CA -0.691 57.614 58.200 0.174 0.000 0.833 236 S CB 1.973 65.270 63.200 0.162 0.000 1.130 236 S HN 1.451 nan 8.310 nan 0.000 0.470 237 I N 1.747 122.424 120.570 0.178 0.000 2.418 237 I HA 0.482 4.652 4.170 -0.000 0.000 0.287 237 I C -1.559 174.667 176.117 0.182 0.000 1.008 237 I CA -0.718 60.682 61.300 0.167 0.000 1.104 237 I CB 1.124 39.253 38.000 0.215 0.000 1.264 237 I HN 0.710 nan 8.210 nan 0.000 0.438 238 N N 7.404 126.148 118.700 0.073 0.000 2.443 238 N HA 0.445 5.185 4.740 -0.000 0.000 0.269 238 N C -1.335 174.190 175.510 0.025 0.000 0.985 238 N CA -0.414 52.718 53.050 0.136 0.000 0.921 238 N CB 2.656 41.291 38.487 0.248 0.000 1.195 238 N HN 0.240 nan 8.380 nan 0.000 0.492 239 V N 1.090 121.004 119.914 0.000 0.000 2.638 239 V HA 0.570 4.689 4.120 -0.000 0.000 0.306 239 V C -0.072 176.001 176.094 -0.034 0.000 1.052 239 V CA -0.454 61.718 62.300 -0.213 0.000 0.885 239 V CB 2.080 33.420 31.823 -0.804 0.000 0.999 239 V HN 0.695 nan 8.190 nan 0.000 0.424 240 T N 4.863 119.442 114.554 0.042 0.000 2.982 240 T HA 0.432 4.782 4.350 -0.000 0.000 0.321 240 T C -0.048 174.701 174.700 0.082 0.000 1.229 240 T CA -0.489 61.645 62.100 0.056 0.000 1.044 240 T CB 1.460 70.361 68.868 0.056 0.000 1.184 240 T HN 0.429 nan 8.240 nan 0.000 0.477 241 M N 4.259 123.914 119.600 0.091 0.000 2.453 241 M HA 0.349 4.829 4.480 -0.000 0.000 0.239 241 M C 0.681 177.055 176.300 0.123 0.000 1.151 241 M CA 0.386 55.768 55.300 0.137 0.000 0.989 241 M CB -0.598 32.109 32.600 0.178 0.000 1.548 241 M HN 0.546 nan 8.290 nan 0.000 0.479 242 L N -0.198 121.082 121.223 0.094 0.000 2.818 242 L HA 0.180 4.519 4.340 -0.000 0.000 0.243 242 L C 0.249 177.166 176.870 0.079 0.000 1.185 242 L CA -0.178 54.710 54.840 0.080 0.000 0.988 242 L CB -0.411 41.681 42.059 0.055 0.000 1.292 242 L HN 0.022 nan 8.230 nan 0.000 0.519 243 T N -0.185 114.420 114.554 0.085 0.000 2.916 243 T HA 0.014 4.364 4.350 -0.000 0.000 0.303 243 T C -0.496 174.255 174.700 0.086 0.000 1.025 243 T CA 0.210 62.354 62.100 0.073 0.000 1.142 243 T CB 0.594 69.524 68.868 0.103 0.000 0.947 243 T HN 0.037 nan 8.240 nan 0.000 0.544 244 Y N 6.049 126.347 120.300 -0.004 0.000 2.336 244 Y HA 0.407 4.957 4.550 -0.000 0.000 0.335 244 Y C -1.569 174.331 175.900 0.002 0.000 1.046 244 Y CA -2.137 55.961 58.100 -0.002 0.000 1.198 244 Y CB 1.238 39.691 38.460 -0.011 0.000 1.182 244 Y HN 0.442 nan 8.280 nan 0.000 0.502 245 P HA 0.114 nan 4.420 nan 0.000 0.291 245 P C -1.466 175.625 177.300 -0.349 0.000 1.341 245 P CA 0.236 62.791 63.100 -0.908 0.000 0.999 245 P CB 0.827 31.858 31.700 -1.115 0.000 1.501 246 Q N -1.341 118.317 119.800 -0.237 0.000 2.738 246 Q HA 0.299 4.639 4.340 -0.000 0.000 0.301 246 Q C -1.355 174.597 176.000 -0.079 0.000 0.901 246 Q CA -0.941 54.778 55.803 -0.141 0.000 0.756 246 Q CB -0.138 28.509 28.738 -0.152 0.000 1.463 246 Q HN -0.336 nan 8.270 nan 0.000 0.432 247 N N 0.782 119.428 118.700 -0.089 0.000 2.217 247 N HA -0.058 4.681 4.740 -0.000 0.000 0.268 247 N C 0.062 175.600 175.510 0.047 0.000 1.290 247 N CA 0.343 53.373 53.050 -0.033 0.000 0.831 247 N CB 0.563 38.885 38.487 -0.275 0.000 1.057 247 N HN 0.635 nan 8.380 nan 0.000 0.481 248 L N 1.980 123.312 121.223 0.182 0.000 2.445 248 L HA 0.368 4.707 4.340 -0.000 0.000 0.207 248 L C 0.290 177.291 176.870 0.218 0.000 1.053 248 L CA 1.209 56.153 54.840 0.174 0.000 0.841 248 L CB 0.116 42.298 42.059 0.206 0.000 1.074 248 L HN 0.675 nan 8.230 nan 0.000 0.479 249 E N -1.266 119.114 120.200 0.301 0.000 2.352 249 E HA 0.536 4.886 4.350 -0.000 0.000 0.280 249 E C -1.334 175.310 176.600 0.072 0.000 0.930 249 E CA -0.407 56.093 56.400 0.167 0.000 0.765 249 E CB 1.634 31.395 29.700 0.101 0.000 1.219 249 E HN 0.145 nan 8.360 nan 0.000 0.434 250 G N 2.068 110.928 108.800 0.099 0.000 3.171 250 G HA2 0.480 4.439 3.960 -0.000 0.000 0.305 250 G HA3 0.480 4.439 3.960 -0.000 0.000 0.305 250 G C -0.986 173.965 174.900 0.085 0.000 1.584 250 G CA -0.121 44.969 45.100 -0.016 0.000 1.070 250 G HN 0.427 nan 8.290 nan 0.000 0.535 251 S N 1.005 116.687 115.700 -0.030 0.000 2.618 251 S HA 0.834 5.304 4.470 -0.000 0.000 0.277 251 S C -1.097 173.552 174.600 0.082 0.000 1.138 251 S CA -0.899 57.340 58.200 0.065 0.000 0.844 251 S CB 2.352 65.560 63.200 0.013 0.000 1.127 251 S HN 0.872 nan 8.310 nan 0.000 0.474 252 I N 0.867 121.504 120.570 0.111 0.000 2.569 252 I HA 0.607 4.777 4.170 -0.000 0.000 0.290 252 I C -1.476 174.690 176.117 0.081 0.000 1.088 252 I CA -0.028 61.333 61.300 0.102 0.000 1.047 252 I CB 2.211 40.287 38.000 0.128 0.000 1.237 252 I HN 0.815 nan 8.210 nan 0.000 0.421 253 T N 7.962 122.547 114.554 0.053 0.000 2.812 253 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 253 T C -0.559 174.134 174.700 -0.012 0.000 0.990 253 T CA -0.245 61.879 62.100 0.040 0.000 0.960 253 T CB 1.022 69.914 68.868 0.041 0.000 0.948 253 T HN 0.307 nan 8.240 nan 0.000 0.438 254 I N 4.070 124.613 120.570 -0.046 0.000 2.406 254 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 254 I C -0.691 175.362 176.117 -0.106 0.000 0.999 254 I CA -0.762 60.425 61.300 -0.189 0.000 1.124 254 I CB 1.528 39.257 38.000 -0.452 0.000 1.289 254 I HN 0.317 nan 8.210 nan 0.000 0.441 255 L N 5.965 127.127 121.223 -0.102 0.000 2.313 255 L HA 0.784 5.124 4.340 -0.000 0.000 0.283 255 L C 0.324 177.173 176.870 -0.035 0.000 1.013 255 L CA -0.352 54.489 54.840 0.001 0.000 0.816 255 L CB 1.701 43.795 42.059 0.059 0.000 1.236 255 L HN 0.719 nan 8.230 nan 0.000 0.419 256 G N 0.737 109.546 108.800 0.015 0.000 3.015 256 G HA2 0.243 4.203 3.960 -0.000 0.000 0.281 256 G HA3 0.243 4.203 3.960 -0.000 0.000 0.281 256 G C 0.197 175.022 174.900 -0.125 0.000 1.386 256 G CA -0.287 44.679 45.100 -0.224 0.000 0.959 256 G HN 0.642 nan 8.290 nan 0.000 0.522 257 E N -0.598 119.420 120.200 -0.303 0.000 2.118 257 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 257 E C 0.887 177.503 176.600 0.026 0.000 0.992 257 E CA 1.228 57.650 56.400 0.035 0.000 0.804 257 E CB -0.019 29.672 29.700 -0.014 0.000 0.741 257 E HN 0.441 nan 8.360 nan 0.000 0.458 258 K N -1.039 119.344 120.400 -0.029 0.000 2.619 258 K HA 0.331 4.651 4.320 -0.000 0.000 0.201 258 K C -0.243 176.282 176.600 -0.126 0.000 1.090 258 K CA 0.013 56.275 56.287 -0.042 0.000 1.063 258 K CB 1.933 34.424 32.500 -0.015 0.000 0.810 258 K HN 0.026 nan 8.250 nan 0.000 0.506 259 G N 0.105 108.766 108.800 -0.231 0.000 2.746 259 G HA2 0.490 4.449 3.960 -0.000 0.000 0.297 259 G HA3 0.490 4.449 3.960 -0.000 0.000 0.297 259 G C -1.313 173.290 174.900 -0.495 0.000 1.426 259 G CA -0.345 44.287 45.100 -0.779 0.000 0.989 259 G HN -0.102 nan 8.290 nan 0.000 0.520 260 T N 0.558 114.658 114.554 -0.755 0.000 2.928 260 T HA 0.615 4.964 4.350 -0.000 0.000 0.296 260 T C -0.988 173.503 174.700 -0.349 0.000 1.000 260 T CA -0.317 61.600 62.100 -0.305 0.000 0.989 260 T CB 1.778 70.510 68.868 -0.226 0.000 1.005 260 T HN 0.496 nan 8.240 nan 0.000 0.442 261 V N 3.593 123.485 119.914 -0.036 0.000 2.760 261 V HA 0.703 4.823 4.120 -0.000 0.000 0.309 261 V C -0.495 175.667 176.094 0.114 0.000 1.077 261 V CA -0.939 61.390 62.300 0.048 0.000 0.910 261 V CB 2.358 34.297 31.823 0.194 0.000 1.008 261 V HN 0.773 nan 8.190 nan 0.000 0.424 262 R N 3.125 123.718 120.500 0.153 0.000 2.538 262 R HA 0.789 5.128 4.340 -0.000 0.000 0.292 262 R C -2.153 174.250 176.300 0.171 0.000 1.008 262 R CA -0.411 55.770 56.100 0.135 0.000 0.896 262 R CB 2.179 32.537 30.300 0.098 0.000 1.187 262 R HN 0.489 nan 8.270 nan 0.000 0.440 263 V N 4.497 124.505 119.914 0.158 0.000 2.326 263 V HA 0.551 4.671 4.120 -0.000 0.000 0.281 263 V C 0.611 176.788 176.094 0.139 0.000 1.015 263 V CA -0.392 62.007 62.300 0.166 0.000 0.823 263 V CB 0.976 32.911 31.823 0.187 0.000 1.009 263 V HN 0.981 nan 8.190 nan 0.000 0.436 264 G N 2.507 111.381 108.800 0.124 0.000 2.782 264 G HA2 0.851 4.811 3.960 -0.000 0.000 0.201 264 G HA3 0.851 4.811 3.960 -0.000 0.000 0.201 264 G C 0.271 175.243 174.900 0.120 0.000 1.374 264 G CA -0.160 45.006 45.100 0.110 0.000 1.039 264 G HN 1.538 nan 8.290 nan 0.000 0.576 265 G N -2.611 106.249 108.800 0.101 0.000 2.631 265 G HA2 0.133 4.092 3.960 -0.000 0.000 0.504 265 G HA3 0.133 4.092 3.960 -0.000 0.000 0.504 265 G C 0.884 175.863 174.900 0.131 0.000 1.306 265 G CA 0.581 45.738 45.100 0.095 0.000 0.897 265 G HN 1.887 nan 8.290 nan 0.000 0.520 266 V N -3.308 116.677 119.914 0.119 0.000 2.970 266 V HA 0.497 4.617 4.120 -0.000 0.000 0.260 266 V C 1.619 177.966 176.094 0.423 0.000 1.100 266 V CA 2.301 64.722 62.300 0.203 0.000 1.122 266 V CB -0.113 31.731 31.823 0.035 0.000 0.721 266 V HN 2.586 nan 8.190 nan 0.000 0.483 267 A N 0.222 123.279 122.820 0.396 0.000 3.368 267 A HA 0.583 4.903 4.320 -0.000 0.000 0.211 267 A C 0.489 178.300 177.584 0.378 0.000 1.004 267 A CA 0.240 52.589 52.037 0.520 0.000 1.059 267 A CB 0.063 19.378 19.000 0.524 0.000 1.298 267 A HN 1.644 nan 8.150 nan 0.000 0.613 268 V N -0.788 119.322 119.914 0.326 0.000 5.479 268 V HA -0.306 3.814 4.120 -0.000 0.000 0.289 268 V C 0.438 176.643 176.094 0.186 0.000 0.595 268 V CA 1.821 64.265 62.300 0.241 0.000 0.649 268 V CB -2.915 29.046 31.823 0.230 0.000 0.390 268 V HN 1.140 nan 8.190 nan 0.000 0.974 269 N N 0.037 118.840 118.700 0.172 0.000 2.171 269 N HA 0.140 4.880 4.740 -0.000 0.000 0.212 269 N C 0.552 176.120 175.510 0.098 0.000 1.184 269 N CA 0.196 53.328 53.050 0.136 0.000 0.888 269 N CB 1.076 39.658 38.487 0.158 0.000 1.038 269 N HN 0.893 nan 8.380 nan 0.000 0.517 270 R N 1.010 121.572 120.500 0.103 0.000 2.531 270 R HA 0.379 4.719 4.340 -0.000 0.000 0.293 270 R C -1.393 174.966 176.300 0.097 0.000 1.124 270 R CA -0.471 55.679 56.100 0.083 0.000 0.945 270 R CB 1.164 31.505 30.300 0.067 0.000 1.195 270 R HN -0.043 nan 8.270 nan 0.000 0.433 271 I N 4.979 125.603 120.570 0.090 0.000 2.452 271 I HA 0.008 4.178 4.170 -0.000 0.000 0.287 271 I C 0.342 176.527 176.117 0.113 0.000 1.079 271 I CA 0.082 61.456 61.300 0.124 0.000 1.387 271 I CB 1.127 39.183 38.000 0.093 0.000 1.404 271 I HN 0.703 nan 8.210 nan 0.000 0.522 272 D N 4.196 124.675 120.400 0.132 0.000 2.338 272 D HA 0.052 4.692 4.640 -0.000 0.000 0.224 272 D C 0.372 176.749 176.300 0.127 0.000 0.967 272 D CA 0.910 54.976 54.000 0.110 0.000 0.896 272 D CB 0.491 41.347 40.800 0.092 0.000 1.028 272 D HN 0.462 nan 8.370 nan 0.000 0.493 273 E N -0.627 119.668 120.200 0.159 0.000 2.266 273 E HA 0.342 4.692 4.350 -0.000 0.000 0.268 273 E C -1.549 175.198 176.600 0.244 0.000 0.879 273 E CA -0.779 55.709 56.400 0.146 0.000 0.762 273 E CB 2.094 31.840 29.700 0.077 0.000 1.199 273 E HN -0.037 nan 8.360 nan 0.000 0.422 274 W N 5.246 126.517 121.300 -0.048 0.000 2.861 274 W HA 0.331 4.991 4.660 -0.000 0.000 0.302 274 W C -1.790 174.640 176.519 -0.148 0.000 1.068 274 W CA -0.442 56.855 57.345 -0.079 0.000 1.161 274 W CB 0.419 29.908 29.460 0.049 0.000 0.981 274 W HN 0.498 nan 8.180 nan 0.000 0.322 275 K N 4.969 125.054 120.400 -0.524 0.000 2.507 275 K HA 0.676 4.996 4.320 -0.000 0.000 0.251 275 K C -1.366 174.703 176.600 -0.886 0.000 0.943 275 K CA -0.568 55.465 56.287 -0.423 0.000 0.794 275 K CB 2.572 34.921 32.500 -0.252 0.000 1.188 275 K HN 0.044 nan 8.250 nan 0.000 0.428 276 F N 0.080 119.875 119.950 -0.257 0.000 2.588 276 F HA 0.381 4.908 4.527 -0.000 0.000 0.310 276 F C 0.946 176.653 175.800 -0.155 0.000 1.082 276 F CA -0.907 56.917 58.000 -0.293 0.000 0.929 276 F CB 1.999 40.775 39.000 -0.373 0.000 1.254 276 F HN 0.651 nan 8.300 nan 0.000 0.455 277 A N 0.817 123.674 122.820 0.062 0.000 2.067 277 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 277 A C 0.353 177.961 177.584 0.040 0.000 1.158 277 A CA 1.177 53.230 52.037 0.027 0.000 0.661 277 A CB -0.593 18.413 19.000 0.010 0.000 0.801 277 A HN 0.661 nan 8.150 nan 0.000 0.452 278 E N -0.034 120.200 120.200 0.056 0.000 2.308 278 E HA 0.511 4.861 4.350 -0.000 0.000 0.275 278 E C -3.297 173.336 176.600 0.055 0.000 0.890 278 E CA -2.247 54.176 56.400 0.038 0.000 0.754 278 E CB 1.606 31.312 29.700 0.010 0.000 1.207 278 E HN 0.067 nan 8.360 nan 0.000 0.426 279 P HA 0.268 nan 4.420 nan 0.000 0.276 279 P C -0.815 176.556 177.300 0.118 0.000 1.261 279 P CA -0.176 62.984 63.100 0.100 0.000 0.800 279 P CB 0.921 32.664 31.700 0.073 0.000 1.066 280 H N -0.353 118.733 119.070 0.026 0.000 3.085 280 H HA 0.192 4.747 4.556 -0.000 0.000 0.356 280 H C -2.344 173.001 175.328 0.029 0.000 1.178 280 H CA -1.400 54.648 56.048 -0.000 0.000 1.214 280 H CB 2.044 31.774 29.762 -0.053 0.000 1.881 280 H HN 0.030 nan 8.280 nan 0.000 0.538 281 P HA -0.152 nan 4.420 nan 0.000 0.216 281 P C 0.852 178.213 177.300 0.103 0.000 1.157 281 P CA 1.518 64.578 63.100 -0.068 0.000 0.880 281 P CB 0.353 31.950 31.700 -0.172 0.000 0.791 282 D N -0.661 119.932 120.400 0.323 0.000 2.220 282 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 282 D C 1.423 177.769 176.300 0.076 0.000 1.001 282 D CA 1.140 55.270 54.000 0.216 0.000 0.875 282 D CB -0.905 40.044 40.800 0.247 0.000 0.921 282 D HN 0.215 nan 8.370 nan 0.000 0.454 283 D N 0.751 121.272 120.400 0.200 0.000 2.191 283 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 283 D C 1.050 177.325 176.300 -0.043 0.000 1.003 283 D CA 1.052 55.126 54.000 0.123 0.000 0.867 283 D CB -0.262 40.689 40.800 0.253 0.000 0.926 283 D HN 0.377 nan 8.370 nan 0.000 0.450 284 D N -0.071 120.322 120.400 -0.010 0.000 2.336 284 D HA 0.001 4.641 4.640 -0.000 0.000 0.229 284 D C 1.123 177.384 176.300 -0.065 0.000 1.061 284 D CA 0.245 54.224 54.000 -0.035 0.000 0.875 284 D CB 0.195 40.989 40.800 -0.011 0.000 0.904 284 D HN 0.276 nan 8.370 nan 0.000 0.525 285 K N 0.079 120.415 120.400 -0.107 0.000 2.373 285 K HA 0.239 4.559 4.320 -0.000 0.000 0.202 285 K C 1.657 178.176 176.600 -0.135 0.000 1.025 285 K CA -0.144 56.088 56.287 -0.092 0.000 1.115 285 K CB 0.951 33.414 32.500 -0.061 0.000 0.858 285 K HN 0.096 nan 8.250 nan 0.000 0.525 286 I N 0.455 120.900 120.570 -0.209 0.000 2.193 286 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 286 I C 2.538 178.593 176.117 -0.105 0.000 1.084 286 I CA 1.098 62.253 61.300 -0.243 0.000 1.365 286 I CB -0.129 37.669 38.000 -0.336 0.000 1.064 286 I HN 0.114 nan 8.210 nan 0.000 0.410 287 R N 0.950 121.410 120.500 -0.067 0.000 2.081 287 R HA -0.228 4.111 4.340 -0.000 0.000 0.235 287 R C 2.305 178.624 176.300 0.032 0.000 1.131 287 R CA 1.894 57.989 56.100 -0.009 0.000 0.960 287 R CB -0.179 30.115 30.300 -0.009 0.000 0.856 287 R HN 0.433 nan 8.270 nan 0.000 0.436 288 E N -0.155 120.053 120.200 0.013 0.000 2.110 288 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 288 E C 1.650 178.296 176.600 0.076 0.000 0.988 288 E CA 1.252 57.683 56.400 0.052 0.000 0.804 288 E CB -0.072 29.639 29.700 0.018 0.000 0.745 288 E HN 0.395 nan 8.360 nan 0.000 0.458 289 A N 1.091 123.925 122.820 0.023 0.000 1.929 289 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 289 A C 1.855 179.468 177.584 0.048 0.000 1.176 289 A CA 1.433 53.488 52.037 0.029 0.000 0.628 289 A CB -0.726 18.266 19.000 -0.014 0.000 0.816 289 A HN 0.405 nan 8.150 nan 0.000 0.444 290 N N -1.611 117.117 118.700 0.046 0.000 2.069 290 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 290 N C 1.801 177.352 175.510 0.068 0.000 1.031 290 N CA 1.793 54.877 53.050 0.057 0.000 0.852 290 N CB -0.371 38.150 38.487 0.058 0.000 1.018 290 N HN 0.657 nan 8.380 nan 0.000 0.423 291 Y N 1.955 122.263 120.300 0.014 0.000 2.200 291 Y HA -0.190 4.359 4.550 -0.000 0.000 0.290 291 Y C 2.508 178.428 175.900 0.033 0.000 1.137 291 Y CA 1.528 59.639 58.100 0.019 0.000 1.163 291 Y CB -0.170 38.296 38.460 0.009 0.000 0.988 291 Y HN 0.092 nan 8.280 nan 0.000 0.518 292 E N -0.612 119.621 120.200 0.055 0.000 2.031 292 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 292 E C 1.885 178.451 176.600 -0.056 0.000 0.994 292 E CA 2.161 58.555 56.400 -0.009 0.000 0.800 292 E CB -0.202 29.546 29.700 0.081 0.000 0.752 292 E HN 0.516 nan 8.360 nan 0.000 0.447 293 T N 0.111 114.661 114.554 -0.006 0.000 2.746 293 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 293 T C 1.913 176.626 174.700 0.021 0.000 1.039 293 T CA 1.658 63.773 62.100 0.025 0.000 1.142 293 T CB -0.526 68.377 68.868 0.059 0.000 0.866 293 T HN 0.229 nan 8.240 nan 0.000 0.444 294 T N 2.140 116.674 114.554 -0.033 0.000 2.720 294 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 294 T C 2.329 176.985 174.700 -0.072 0.000 1.037 294 T CA 1.580 63.654 62.100 -0.043 0.000 1.144 294 T CB -0.500 68.305 68.868 -0.104 0.000 0.864 294 T HN 0.572 nan 8.240 nan 0.000 0.444 295 S N 1.459 117.015 115.700 -0.239 0.000 2.507 295 S HA -0.046 4.423 4.470 -0.000 0.000 0.235 295 S C 1.802 176.411 174.600 0.015 0.000 0.988 295 S CA 0.883 58.958 58.200 -0.207 0.000 0.944 295 S CB -0.433 62.512 63.200 -0.424 0.000 0.762 295 S HN 0.480 nan 8.310 nan 0.000 0.526 296 V N -2.207 117.750 119.914 0.072 0.000 3.427 296 V HA 0.452 4.572 4.120 -0.000 0.000 0.305 296 V C 0.396 176.603 176.094 0.188 0.000 1.412 296 V CA -0.970 61.434 62.300 0.172 0.000 1.086 296 V CB -1.758 30.131 31.823 0.110 0.000 0.964 296 V HN 0.410 nan 8.190 nan 0.000 0.439 297 Y N 2.918 123.237 120.300 0.032 0.000 2.887 297 Y HA 0.317 4.866 4.550 -0.000 0.000 0.350 297 Y C 1.540 177.365 175.900 -0.125 0.000 1.294 297 Y CA 1.817 59.895 58.100 -0.037 0.000 1.622 297 Y CB -0.066 38.361 38.460 -0.056 0.000 1.201 297 Y HN 0.642 nan 8.280 nan 0.000 0.546 298 G N 4.375 112.756 108.800 -0.697 0.000 2.284 298 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.247 298 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.247 298 G C 0.033 174.578 174.900 -0.592 0.000 1.012 298 G CA 0.279 44.960 45.100 -0.699 0.000 0.618 298 G HN 0.640 nan 8.290 nan 0.000 0.521 299 F N 1.748 121.659 119.950 -0.065 0.000 2.627 299 F HA 0.573 5.099 4.527 -0.000 0.000 0.329 299 F C 1.608 177.413 175.800 0.009 0.000 1.378 299 F CA -0.043 57.959 58.000 0.004 0.000 1.134 299 F CB 0.903 39.907 39.000 0.007 0.000 1.229 299 F HN 0.147 nan 8.300 nan 0.000 0.537 300 G N -1.200 107.647 108.800 0.079 0.000 2.683 300 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.213 300 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.213 300 G C 1.177 176.087 174.900 0.017 0.000 1.142 300 G CA 0.264 45.358 45.100 -0.010 0.000 0.793 300 G HN 0.437 nan 8.290 nan 0.000 0.534 301 H N 1.486 120.577 119.070 0.035 0.000 2.421 301 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 301 H C 0.098 175.566 175.328 0.232 0.000 1.087 301 H CA 1.558 57.656 56.048 0.083 0.000 1.330 301 H CB -0.861 28.879 29.762 -0.036 0.000 1.388 301 H HN 0.339 nan 8.280 nan 0.000 0.526 302 P HA -0.175 nan 4.420 nan 0.000 0.216 302 P C 1.485 178.979 177.300 0.324 0.000 1.153 302 P CA 1.266 64.540 63.100 0.289 0.000 0.858 302 P CB 0.063 31.860 31.700 0.163 0.000 0.789 303 L N -2.236 119.117 121.223 0.217 0.000 2.046 303 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 303 L C 2.862 179.815 176.870 0.138 0.000 1.077 303 L CA 1.438 56.376 54.840 0.163 0.000 0.747 303 L CB -1.075 41.048 42.059 0.108 0.000 0.896 303 L HN -0.096 nan 8.230 nan 0.000 0.432 304 Y N -0.894 119.416 120.300 0.017 0.000 2.224 304 Y HA -0.328 4.222 4.550 -0.000 0.000 0.289 304 Y C 2.289 178.127 175.900 -0.102 0.000 1.146 304 Y CA 1.657 59.711 58.100 -0.077 0.000 1.182 304 Y CB -0.227 38.133 38.460 -0.167 0.000 0.983 304 Y HN 0.068 nan 8.280 nan 0.000 0.524 305 Y N -0.028 120.279 120.300 0.013 0.000 2.373 305 Y HA -0.141 4.408 4.550 -0.000 0.000 0.293 305 Y C 2.259 177.949 175.900 -0.351 0.000 1.129 305 Y CA 1.447 59.444 58.100 -0.172 0.000 1.226 305 Y CB -0.459 37.886 38.460 -0.191 0.000 1.000 305 Y HN 0.209 nan 8.280 nan 0.000 0.549 306 D N 0.254 120.581 120.400 -0.121 0.000 2.133 306 D HA -0.272 4.368 4.640 -0.000 0.000 0.192 306 D C 2.042 178.263 176.300 -0.131 0.000 1.001 306 D CA 1.789 55.725 54.000 -0.107 0.000 0.844 306 D CB -0.441 40.401 40.800 0.072 0.000 0.944 306 D HN 0.364 nan 8.370 nan 0.000 0.447 307 N N -0.349 118.235 118.700 -0.192 0.000 2.142 307 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 307 N C 1.951 177.310 175.510 -0.253 0.000 1.023 307 N CA 1.491 54.415 53.050 -0.210 0.000 0.852 307 N CB -0.027 38.296 38.487 -0.273 0.000 0.998 307 N HN 0.120 nan 8.380 nan 0.000 0.424 308 V N 2.058 121.700 119.914 -0.453 0.000 2.287 308 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 308 V C 2.513 178.438 176.094 -0.283 0.000 1.053 308 V CA 1.536 63.472 62.300 -0.606 0.000 1.027 308 V CB -0.469 30.924 31.823 -0.717 0.000 0.646 308 V HN 0.311 nan 8.190 nan 0.000 0.447 309 I N 0.269 120.761 120.570 -0.130 0.000 2.142 309 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 309 I C 2.460 178.548 176.117 -0.047 0.000 1.078 309 I CA 1.577 62.851 61.300 -0.044 0.000 1.343 309 I CB -0.684 37.298 38.000 -0.030 0.000 1.046 309 I HN 0.368 nan 8.210 nan 0.000 0.405 310 N N 0.780 119.452 118.700 -0.047 0.000 2.021 310 N HA -0.270 4.469 4.740 -0.000 0.000 0.198 310 N C 2.009 177.514 175.510 -0.008 0.000 1.041 310 N CA 1.919 54.958 53.050 -0.019 0.000 0.862 310 N CB -1.181 37.298 38.487 -0.014 0.000 1.048 310 N HN 0.480 nan 8.380 nan 0.000 0.427 311 C N 1.352 120.656 119.300 0.006 0.000 2.401 311 C HA -0.034 4.426 4.460 -0.000 0.000 0.276 311 C C 2.693 177.705 174.990 0.036 0.000 1.233 311 C CA 0.478 59.535 59.018 0.064 0.000 1.753 311 C CB -1.290 26.584 27.740 0.223 0.000 2.029 311 C HN 0.418 nan 8.230 nan 0.000 0.478 312 L N -0.103 121.120 121.223 -0.001 0.000 2.201 312 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 312 L C 2.825 179.662 176.870 -0.054 0.000 1.105 312 L CA 1.243 56.040 54.840 -0.071 0.000 0.775 312 L CB -0.571 41.409 42.059 -0.132 0.000 0.913 312 L HN 0.336 nan 8.230 nan 0.000 0.440 313 R N -0.275 120.207 120.500 -0.030 0.000 2.313 313 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 313 R C 1.387 177.683 176.300 -0.007 0.000 0.958 313 R CA 0.615 56.705 56.100 -0.016 0.000 1.047 313 R CB 0.113 30.410 30.300 -0.006 0.000 0.955 313 R HN 0.450 nan 8.270 nan 0.000 0.481 314 G N 0.651 109.447 108.800 -0.006 0.000 2.175 314 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 314 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 314 G C 0.415 175.318 174.900 0.004 0.000 0.982 314 G CA 0.345 45.444 45.100 -0.001 0.000 0.641 314 G HN 0.297 nan 8.290 nan 0.000 0.527 315 D N -0.235 120.168 120.400 0.006 0.000 2.144 315 D HA 0.118 4.758 4.640 -0.000 0.000 0.199 315 D C 1.383 177.690 176.300 0.012 0.000 0.984 315 D CA 1.516 55.522 54.000 0.009 0.000 0.834 315 D CB 0.045 40.851 40.800 0.010 0.000 0.955 315 D HN 0.531 nan 8.370 nan 0.000 0.465 316 C N -0.077 119.232 119.300 0.014 0.000 3.285 316 C HA 0.403 4.862 4.460 -0.000 0.000 0.320 316 C C -0.480 174.523 174.990 0.022 0.000 1.411 316 C CA -0.947 58.082 59.018 0.019 0.000 1.429 316 C CB 2.422 30.174 27.740 0.019 0.000 1.812 316 C HN 0.011 nan 8.230 nan 0.000 0.454 317 E N 1.800 122.012 120.200 0.021 0.000 2.214 317 E HA 0.419 4.769 4.350 -0.000 0.000 0.274 317 E C -2.351 174.272 176.600 0.038 0.000 0.977 317 E CA -1.651 54.758 56.400 0.016 0.000 0.827 317 E CB 0.739 30.442 29.700 0.005 0.000 1.130 317 E HN 0.406 nan 8.360 nan 0.000 0.394 318 P HA 0.009 nan 4.420 nan 0.000 0.269 318 P C 0.498 177.832 177.300 0.056 0.000 1.209 318 P CA 0.163 63.331 63.100 0.113 0.000 0.776 318 P CB 0.901 32.655 31.700 0.091 0.000 0.876 319 E N 0.960 121.180 120.200 0.034 0.000 2.150 319 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 319 E C -0.362 176.268 176.600 0.051 0.000 0.985 319 E CA 0.894 57.316 56.400 0.035 0.000 0.814 319 E CB 0.175 29.867 29.700 -0.013 0.000 0.752 319 E HN 0.400 nan 8.360 nan 0.000 0.466 320 T N 2.397 117.001 114.554 0.084 0.000 3.135 320 T HA 0.075 4.425 4.350 -0.000 0.000 0.357 320 T C -1.049 173.719 174.700 0.113 0.000 1.112 320 T CA -0.758 61.398 62.100 0.094 0.000 1.290 320 T CB 0.807 69.746 68.868 0.118 0.000 1.018 320 T HN 0.230 nan 8.240 nan 0.000 0.527 321 D N 1.277 121.687 120.400 0.018 0.000 2.447 321 D HA 0.307 4.947 4.640 -0.000 0.000 0.265 321 D C 1.787 178.067 176.300 -0.033 0.000 1.250 321 D CA -0.183 53.773 54.000 -0.074 0.000 1.046 321 D CB -0.010 40.697 40.800 -0.154 0.000 1.095 321 D HN 0.296 nan 8.370 nan 0.000 0.555 322 G N -0.370 108.388 108.800 -0.070 0.000 2.529 322 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 322 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 322 G C 1.662 176.546 174.900 -0.026 0.000 1.177 322 G CA 1.070 46.140 45.100 -0.049 0.000 0.773 322 G HN 0.514 nan 8.290 nan 0.000 0.573 323 R N -0.313 120.174 120.500 -0.022 0.000 2.090 323 R HA 0.020 4.360 4.340 -0.000 0.000 0.228 323 R C 2.503 178.827 176.300 0.040 0.000 1.110 323 R CA 0.967 57.072 56.100 0.008 0.000 0.973 323 R CB -0.275 30.029 30.300 0.007 0.000 0.869 323 R HN 0.198 nan 8.270 nan 0.000 0.440 324 E N 0.217 120.440 120.200 0.039 0.000 2.114 324 E HA -0.171 4.178 4.350 -0.000 0.000 0.199 324 E C 1.908 178.540 176.600 0.053 0.000 1.008 324 E CA 1.796 58.231 56.400 0.058 0.000 0.810 324 E CB -0.562 29.167 29.700 0.049 0.000 0.739 324 E HN 0.462 nan 8.360 nan 0.000 0.456 325 G N -0.514 108.309 108.800 0.038 0.000 2.464 325 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 325 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 325 G C 1.581 176.518 174.900 0.062 0.000 1.138 325 G CA 0.335 45.457 45.100 0.036 0.000 0.793 325 G HN 0.252 nan 8.290 nan 0.000 0.539 326 L N -0.329 120.940 121.223 0.077 0.000 2.201 326 L HA -0.060 4.279 4.340 -0.000 0.000 0.212 326 L C 2.977 179.974 176.870 0.211 0.000 1.105 326 L CA 0.671 55.611 54.840 0.167 0.000 0.775 326 L CB -0.196 41.944 42.059 0.134 0.000 0.913 326 L HN 0.174 nan 8.230 nan 0.000 0.440 327 Q N 0.129 120.006 119.800 0.128 0.000 2.020 327 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 327 Q C 2.538 178.573 176.000 0.059 0.000 0.982 327 Q CA 2.306 58.166 55.803 0.095 0.000 0.838 327 Q CB -0.275 28.520 28.738 0.096 0.000 0.899 327 Q HN 0.554 nan 8.270 nan 0.000 0.423 328 S N -0.767 114.967 115.700 0.058 0.000 2.414 328 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 328 S C 1.816 176.424 174.600 0.013 0.000 1.022 328 S CA 0.759 58.974 58.200 0.026 0.000 0.958 328 S CB -0.384 62.829 63.200 0.021 0.000 0.797 328 S HN 0.329 nan 8.310 nan 0.000 0.493 329 L N 2.312 123.578 121.223 0.071 0.000 2.079 329 L HA 0.136 4.476 4.340 -0.000 0.000 0.210 329 L C 2.666 179.571 176.870 0.057 0.000 1.081 329 L CA 1.659 56.563 54.840 0.108 0.000 0.752 329 L CB -1.395 40.799 42.059 0.224 0.000 0.896 329 L HN 0.377 nan 8.230 nan 0.000 0.433 330 A N -0.558 122.269 122.820 0.011 0.000 1.877 330 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 330 A C 2.287 179.674 177.584 -0.329 0.000 1.186 330 A CA 1.989 53.799 52.037 -0.378 0.000 0.620 330 A CB -0.914 17.817 19.000 -0.448 0.000 0.822 330 A HN 0.488 nan 8.150 nan 0.000 0.443 331 L N -0.612 120.485 121.223 -0.210 0.000 2.042 331 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 331 L C 2.589 179.312 176.870 -0.244 0.000 1.076 331 L CA 1.238 55.950 54.840 -0.213 0.000 0.749 331 L CB -0.568 41.406 42.059 -0.141 0.000 0.893 331 L HN 0.403 nan 8.230 nan 0.000 0.432 332 L N -1.107 119.980 121.223 -0.227 0.000 2.046 332 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 332 L C 2.601 179.213 176.870 -0.430 0.000 1.077 332 L CA 1.477 56.097 54.840 -0.366 0.000 0.747 332 L CB -0.998 40.864 42.059 -0.330 0.000 0.896 332 L HN 0.242 nan 8.230 nan 0.000 0.432 333 T N 0.030 114.412 114.554 -0.287 0.000 2.746 333 T HA -0.179 4.170 4.350 -0.000 0.000 0.267 333 T C 2.054 176.604 174.700 -0.250 0.000 1.039 333 T CA 1.388 63.351 62.100 -0.228 0.000 1.142 333 T CB -0.266 68.456 68.868 -0.242 0.000 0.866 333 T HN 0.448 nan 8.240 nan 0.000 0.444 334 A N 1.168 123.804 122.820 -0.307 0.000 1.877 334 A HA -0.022 4.297 4.320 -0.000 0.000 0.216 334 A C 2.302 179.727 177.584 -0.266 0.000 1.186 334 A CA 1.249 53.115 52.037 -0.286 0.000 0.620 334 A CB -0.840 17.982 19.000 -0.296 0.000 0.822 334 A HN 0.510 nan 8.150 nan 0.000 0.443 335 I N -1.602 118.790 120.570 -0.297 0.000 2.208 335 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 335 I C 2.371 178.385 176.117 -0.172 0.000 1.097 335 I CA 1.344 62.450 61.300 -0.324 0.000 1.363 335 I CB -0.350 37.363 38.000 -0.478 0.000 1.051 335 I HN 0.357 nan 8.210 nan 0.000 0.413 336 Y N 0.980 121.122 120.300 -0.263 0.000 2.263 336 Y HA -0.080 4.470 4.550 -0.000 0.000 0.292 336 Y C 2.668 178.424 175.900 -0.241 0.000 1.130 336 Y CA 0.886 58.861 58.100 -0.209 0.000 1.179 336 Y CB -0.704 37.680 38.460 -0.127 0.000 0.998 336 Y HN 0.124 nan 8.280 nan 0.000 0.532 337 R N -0.987 119.466 120.500 -0.078 0.000 2.092 337 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 337 R C 2.608 178.788 176.300 -0.200 0.000 1.119 337 R CA 1.287 57.299 56.100 -0.148 0.000 0.970 337 R CB -0.470 29.736 30.300 -0.157 0.000 0.864 337 R HN 0.124 nan 8.270 nan 0.000 0.440 338 S N 0.675 116.221 115.700 -0.256 0.000 2.368 338 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 338 S C 2.081 176.417 174.600 -0.439 0.000 1.030 338 S CA 1.187 59.154 58.200 -0.389 0.000 0.999 338 S CB -0.080 62.805 63.200 -0.524 0.000 0.844 338 S HN 0.420 nan 8.310 nan 0.000 0.459 339 A N 1.751 124.372 122.820 -0.332 0.000 1.933 339 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 339 A C 2.242 179.720 177.584 -0.178 0.000 1.175 339 A CA 1.591 53.479 52.037 -0.248 0.000 0.628 339 A CB -0.684 18.239 19.000 -0.128 0.000 0.814 339 A HN 0.644 nan 8.150 nan 0.000 0.444 340 R N -0.746 119.644 120.500 -0.182 0.000 2.093 340 R HA -0.092 4.247 4.340 -0.000 0.000 0.224 340 R C 0.620 176.841 176.300 -0.132 0.000 1.101 340 R CA 1.616 57.619 56.100 -0.161 0.000 0.979 340 R CB -0.096 30.076 30.300 -0.213 0.000 0.877 340 R HN 0.393 nan 8.270 nan 0.000 0.441 341 D N -1.190 119.120 120.400 -0.150 0.000 2.366 341 D HA 0.121 4.761 4.640 -0.000 0.000 0.205 341 D C 0.763 177.010 176.300 -0.089 0.000 1.022 341 D CA 1.018 54.951 54.000 -0.111 0.000 0.868 341 D CB 0.825 41.560 40.800 -0.110 0.000 0.953 341 D HN 0.460 nan 8.370 nan 0.000 0.514 342 G N 1.111 109.828 108.800 -0.139 0.000 2.171 342 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.238 342 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.238 342 G C 0.261 175.202 174.900 0.069 0.000 1.039 342 G CA 0.501 45.577 45.100 -0.040 0.000 0.759 342 G HN 0.486 nan 8.290 nan 0.000 0.501 343 V N -3.877 116.015 119.914 -0.036 0.000 3.114 343 V HA 0.831 4.951 4.120 -0.000 0.000 0.308 343 V C 0.512 176.618 176.094 0.020 0.000 1.168 343 V CA -1.239 61.106 62.300 0.075 0.000 1.015 343 V CB 1.723 33.546 31.823 -0.001 0.000 1.050 343 V HN 0.617 nan 8.190 nan 0.000 0.433 344 R N 2.190 122.774 120.500 0.140 0.000 2.522 344 R HA 0.342 4.682 4.340 -0.000 0.000 0.284 344 R C -0.949 175.313 176.300 -0.063 0.000 1.032 344 R CA -0.242 55.899 56.100 0.069 0.000 1.049 344 R CB 0.362 30.699 30.300 0.061 0.000 0.956 344 R HN 0.736 nan 8.270 nan 0.000 0.422 345 I N 7.832 128.325 120.570 -0.128 0.000 2.330 345 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 345 I C -2.128 173.897 176.117 -0.154 0.000 1.001 345 I CA -2.739 58.469 61.300 -0.153 0.000 1.193 345 I CB 1.353 39.233 38.000 -0.201 0.000 1.345 345 I HN 0.588 nan 8.210 nan 0.000 0.461 346 P HA 0.508 nan 4.420 nan 0.000 0.287 346 P C -0.890 176.313 177.300 -0.162 0.000 1.279 346 P CA -0.641 62.377 63.100 -0.136 0.000 0.867 346 P CB 2.085 33.725 31.700 -0.100 0.000 1.127 347 L N 2.225 123.350 121.223 -0.164 0.000 2.358 347 L HA 0.546 4.886 4.340 -0.000 0.000 0.268 347 L C -1.719 175.081 176.870 -0.116 0.000 1.032 347 L CA -2.098 52.640 54.840 -0.169 0.000 0.805 347 L CB 0.997 42.949 42.059 -0.179 0.000 1.253 347 L HN 0.301 nan 8.230 nan 0.000 0.452 348 P HA 0.294 nan 4.420 nan 0.000 0.276 348 P C -0.990 176.222 177.300 -0.147 0.000 1.252 348 P CA -0.524 62.507 63.100 -0.116 0.000 0.802 348 P CB 0.795 32.472 31.700 -0.039 0.000 1.035 349 L N 1.068 122.143 121.223 -0.247 0.000 2.395 349 L HA 0.219 4.559 4.340 -0.000 0.000 0.269 349 L C 1.051 177.906 176.870 -0.025 0.000 1.133 349 L CA -0.635 54.040 54.840 -0.275 0.000 0.812 349 L CB -0.074 41.531 42.059 -0.757 0.000 1.125 349 L HN 0.315 nan 8.230 nan 0.000 0.452 350 D N 0.000 120.406 120.400 0.009 0.000 6.856 350 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 350 D CA 0.000 54.063 54.000 0.106 0.000 0.868 350 D CB 0.000 40.837 40.800 0.061 0.000 0.688 350 D HN 0.000 nan 8.370 nan 0.000 0.683