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 3afe_1_A DATA FIRST_RESID 7 DATA SEQUENCE RDAQSVLAAI DNLLPEIRDR AQATEDLRRL PDETVKALDD VGFFTLLQPQ DATA SEQUENCE QWGGLQCDPA LFFEATRRLA SVCGSTGWVS SIVGVHNWHL ALFDQRAQEE DATA SEQUENCE VWGEDPSTRI SSSYAPMGAG VVVDGGYLVN GSWNWSSGCD HASWTFVGGP DATA SEQUENCE VIKDGRPVDF GSFLIPRSEY EIKDVWYVVG LRGTGSNTLV VKDVFVPRHR DATA SEQUENCE FLSYKAMNDH TAGGLATNSA PVYKMPWGTM HPTTISAPIV GMAYGAYAAH DATA SEQUENCE VEHQGKRVRA AFAGXXAKDD PFAKVRIAEA ASDIDAAWRQ LIGNVSDEYA DATA SEQUENCE LLAAGKEIPF ELRARARRDQ VRATGRSIAS IDRLFEASGA TALSNEAPIQ DATA SEQUENCE RFWRDAHAGR VHAANDPERA YVIFGNHEFG LPPXXTMV 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.302 176.300 0.003 0.000 0.893 7 R CA 0.000 56.103 56.100 0.005 0.000 0.921 7 R CB 0.000 30.304 30.300 0.007 0.000 0.687 8 D N 3.115 123.516 120.400 0.001 0.000 2.714 8 D HA 0.446 5.087 4.640 0.002 0.000 0.278 8 D C 0.689 176.987 176.300 -0.004 0.000 1.102 8 D CA -0.160 53.840 54.000 -0.001 0.000 1.108 8 D CB 0.821 41.621 40.800 0.001 0.000 1.444 8 D HN 0.416 nan 8.370 nan 0.000 0.568 9 A N -0.659 122.157 122.820 -0.008 0.000 1.933 9 A HA -0.191 4.130 4.320 0.002 0.000 0.218 9 A C 1.941 179.519 177.584 -0.011 0.000 1.175 9 A CA 1.744 53.772 52.037 -0.014 0.000 0.628 9 A CB -0.808 18.179 19.000 -0.022 0.000 0.814 9 A HN 0.479 nan 8.150 nan 0.000 0.444 10 Q N -0.387 119.409 119.800 -0.007 0.000 2.123 10 Q HA -0.079 4.262 4.340 0.002 0.000 0.199 10 Q C 2.415 178.412 176.000 -0.005 0.000 0.966 10 Q CA 1.593 57.392 55.803 -0.006 0.000 0.845 10 Q CB -0.518 28.218 28.738 -0.003 0.000 0.907 10 Q HN 0.685 nan 8.270 nan 0.000 0.439 11 S N -0.305 115.393 115.700 -0.003 0.000 2.365 11 S HA -0.171 4.300 4.470 0.002 0.000 0.225 11 S C 1.945 176.545 174.600 -0.001 0.000 1.039 11 S CA 1.521 59.720 58.200 -0.001 0.000 1.033 11 S CB -0.379 62.821 63.200 0.001 0.000 0.887 11 S HN 0.221 nan 8.310 nan 0.000 0.447 12 V N 1.565 121.479 119.914 -0.000 0.000 2.407 12 V HA -0.087 4.034 4.120 0.002 0.000 0.248 12 V C 2.509 178.605 176.094 0.004 0.000 1.055 12 V CA 1.602 63.905 62.300 0.005 0.000 1.049 12 V CB -0.757 31.068 31.823 0.003 0.000 0.662 12 V HN 0.408 nan 8.190 nan 0.000 0.455 13 L N 0.641 121.861 121.223 -0.005 0.000 1.976 13 L HA -0.076 4.265 4.340 0.002 0.000 0.209 13 L C 2.611 179.469 176.870 -0.020 0.000 1.071 13 L CA 2.341 57.173 54.840 -0.013 0.000 0.746 13 L CB -1.395 40.653 42.059 -0.018 0.000 0.890 13 L HN 0.265 nan 8.230 nan 0.000 0.432 14 A N -0.585 122.226 122.820 -0.016 0.000 1.884 14 A HA -0.300 4.021 4.320 0.002 0.000 0.219 14 A C 2.428 180.002 177.584 -0.017 0.000 1.197 14 A CA 2.655 54.682 52.037 -0.017 0.000 0.637 14 A CB -1.309 17.684 19.000 -0.011 0.000 0.827 14 A HN 0.542 nan 8.150 nan 0.000 0.450 15 A N -0.677 122.136 122.820 -0.011 0.000 1.978 15 A HA -0.080 4.241 4.320 0.002 0.000 0.220 15 A C 2.128 179.700 177.584 -0.020 0.000 1.170 15 A CA 1.539 53.570 52.037 -0.010 0.000 0.636 15 A CB -0.580 18.419 19.000 -0.001 0.000 0.810 15 A HN 0.544 nan 8.150 nan 0.000 0.448 16 I N -0.444 120.111 120.570 -0.025 0.000 2.315 16 I HA -0.210 3.961 4.170 0.002 0.000 0.248 16 I C 1.816 177.901 176.117 -0.053 0.000 1.117 16 I CA 1.204 62.475 61.300 -0.048 0.000 1.404 16 I CB -0.371 37.598 38.000 -0.052 0.000 1.071 16 I HN 0.248 nan 8.210 nan 0.000 0.419 17 D N 1.110 121.483 120.400 -0.045 0.000 2.133 17 D HA -0.209 4.432 4.640 0.002 0.000 0.195 17 D C 1.582 177.863 176.300 -0.032 0.000 0.997 17 D CA 1.494 55.468 54.000 -0.043 0.000 0.840 17 D CB -0.482 40.295 40.800 -0.038 0.000 0.947 17 D HN 0.464 nan 8.370 nan 0.000 0.452 18 N N -0.406 118.279 118.700 -0.026 0.000 2.521 18 N HA 0.057 4.798 4.740 0.002 0.000 0.188 18 N C 1.431 176.929 175.510 -0.020 0.000 1.146 18 N CA -0.105 52.934 53.050 -0.019 0.000 0.893 18 N CB 0.336 38.816 38.487 -0.013 0.000 0.975 18 N HN 0.156 nan 8.380 nan 0.000 0.451 19 L N 0.184 121.389 121.223 -0.030 0.000 2.416 19 L HA 0.095 4.436 4.340 0.002 0.000 0.216 19 L C 1.780 178.630 176.870 -0.033 0.000 1.098 19 L CA 0.199 55.018 54.840 -0.035 0.000 0.840 19 L CB -0.150 41.876 42.059 -0.054 0.000 0.981 19 L HN 0.226 nan 8.230 nan 0.000 0.462 20 L N 0.554 121.757 121.223 -0.033 0.000 1.971 20 L HA -0.195 4.146 4.340 0.002 0.000 0.215 20 L C -0.065 176.802 176.870 -0.005 0.000 1.072 20 L CA 1.846 56.673 54.840 -0.022 0.000 0.758 20 L CB -2.157 39.889 42.059 -0.022 0.000 0.889 20 L HN 0.222 nan 8.230 nan 0.000 0.433 21 P HA -0.182 nan 4.420 nan 0.000 0.216 21 P C 1.319 178.622 177.300 0.005 0.000 1.153 21 P CA 1.389 64.493 63.100 0.006 0.000 0.858 21 P CB -0.010 31.692 31.700 0.004 0.000 0.789 22 E N -0.605 119.595 120.200 -0.001 0.000 2.077 22 E HA -0.144 4.207 4.350 0.002 0.000 0.193 22 E C 2.052 178.652 176.600 -0.001 0.000 0.989 22 E CA 0.992 57.392 56.400 -0.000 0.000 0.800 22 E CB -0.615 29.083 29.700 -0.004 0.000 0.746 22 E HN 0.277 nan 8.360 nan 0.000 0.452 23 I N 0.801 121.368 120.570 -0.006 0.000 2.315 23 I HA -0.217 3.954 4.170 0.002 0.000 0.248 23 I C 2.776 178.896 176.117 0.005 0.000 1.117 23 I CA 0.755 62.051 61.300 -0.007 0.000 1.404 23 I CB -0.329 37.658 38.000 -0.021 0.000 1.071 23 I HN 0.068 nan 8.210 nan 0.000 0.419 24 R N 1.307 121.816 120.500 0.014 0.000 2.094 24 R HA -0.229 4.112 4.340 0.002 0.000 0.239 24 R C 1.857 178.162 176.300 0.008 0.000 1.137 24 R CA 2.345 58.459 56.100 0.024 0.000 0.943 24 R CB -0.305 30.020 30.300 0.041 0.000 0.850 24 R HN 0.305 nan 8.270 nan 0.000 0.433 25 D N -0.196 120.209 120.400 0.008 0.000 2.149 25 D HA -0.173 4.468 4.640 0.002 0.000 0.198 25 D C 1.911 178.212 176.300 0.001 0.000 0.990 25 D CA 1.074 55.077 54.000 0.005 0.000 0.839 25 D CB -0.235 40.569 40.800 0.007 0.000 0.948 25 D HN 0.231 nan 8.370 nan 0.000 0.460 26 R N 0.308 120.809 120.500 0.002 0.000 2.280 26 R HA 0.057 4.398 4.340 0.002 0.000 0.207 26 R C 2.027 178.326 176.300 -0.001 0.000 1.043 26 R CA 0.604 56.706 56.100 0.004 0.000 1.006 26 R CB 0.016 30.321 30.300 0.007 0.000 0.885 26 R HN 0.062 nan 8.270 nan 0.000 0.467 27 A N 0.769 123.581 122.820 -0.012 0.000 1.896 27 A HA -0.339 3.982 4.320 0.002 0.000 0.220 27 A C 2.034 179.602 177.584 -0.026 0.000 1.206 27 A CA 2.010 54.030 52.037 -0.029 0.000 0.647 27 A CB -0.642 18.317 19.000 -0.068 0.000 0.828 27 A HN 0.379 nan 8.150 nan 0.000 0.455 28 Q N -0.572 119.213 119.800 -0.025 0.000 2.079 28 Q HA 0.021 4.362 4.340 0.002 0.000 0.200 28 Q C 2.099 178.098 176.000 -0.002 0.000 0.974 28 Q CA 2.178 57.970 55.803 -0.018 0.000 0.840 28 Q CB -0.665 28.063 28.738 -0.015 0.000 0.898 28 Q HN 0.581 nan 8.270 nan 0.000 0.430 29 A N -0.479 122.344 122.820 0.005 0.000 1.892 29 A HA -0.246 4.075 4.320 0.002 0.000 0.218 29 A C 2.318 179.917 177.584 0.024 0.000 1.188 29 A CA 2.228 54.274 52.037 0.015 0.000 0.631 29 A CB -1.351 17.659 19.000 0.017 0.000 0.822 29 A HN 0.519 nan 8.150 nan 0.000 0.447 30 T N -0.041 114.528 114.554 0.025 0.000 2.597 30 T HA -0.233 4.118 4.350 0.002 0.000 0.267 30 T C 1.780 176.507 174.700 0.044 0.000 1.053 30 T CA 1.844 63.968 62.100 0.040 0.000 1.165 30 T CB -0.422 68.467 68.868 0.036 0.000 0.863 30 T HN 0.644 nan 8.240 nan 0.000 0.427 31 E N 0.590 120.804 120.200 0.024 0.000 2.070 31 E HA -0.194 4.156 4.350 0.002 0.000 0.197 31 E C 2.168 178.782 176.600 0.023 0.000 1.004 31 E CA 1.459 57.869 56.400 0.017 0.000 0.805 31 E CB -0.192 29.502 29.700 -0.010 0.000 0.744 31 E HN 0.492 nan 8.360 nan 0.000 0.451 32 D N 0.664 121.077 120.400 0.022 0.000 2.144 32 D HA -0.131 4.510 4.640 0.002 0.000 0.199 32 D C 2.088 178.412 176.300 0.041 0.000 0.984 32 D CA 0.549 54.565 54.000 0.027 0.000 0.834 32 D CB -0.275 40.538 40.800 0.023 0.000 0.955 32 D HN 0.156 nan 8.370 nan 0.000 0.465 33 L N 0.167 121.418 121.223 0.047 0.000 2.127 33 L HA -0.126 4.215 4.340 0.002 0.000 0.211 33 L C 0.635 177.542 176.870 0.062 0.000 1.089 33 L CA 1.066 55.940 54.840 0.056 0.000 0.757 33 L CB -0.085 42.014 42.059 0.066 0.000 0.899 33 L HN 0.116 nan 8.230 nan 0.000 0.434 34 R N 0.019 120.563 120.500 0.074 0.000 3.776 34 R HA -0.195 4.146 4.340 0.002 0.000 0.312 34 R C -0.056 176.323 176.300 0.132 0.000 1.181 34 R CA 0.883 57.051 56.100 0.113 0.000 0.836 34 R CB -1.874 28.453 30.300 0.046 0.000 1.324 34 R HN 0.589 nan 8.270 nan 0.000 0.501 35 R N -1.716 118.852 120.500 0.115 0.000 2.774 35 R HA 0.301 4.642 4.340 0.002 0.000 0.279 35 R C -1.585 174.820 176.300 0.175 0.000 1.022 35 R CA -1.175 54.999 56.100 0.124 0.000 0.855 35 R CB 0.501 30.841 30.300 0.067 0.000 1.279 35 R HN -0.081 nan 8.270 nan 0.000 0.485 36 L N 1.959 123.336 121.223 0.256 0.000 2.426 36 L HA 0.386 4.727 4.340 0.002 0.000 0.271 36 L C -2.091 174.908 176.870 0.215 0.000 1.169 36 L CA -1.499 53.448 54.840 0.177 0.000 0.836 36 L CB 0.304 42.392 42.059 0.049 0.000 1.112 36 L HN 0.551 nan 8.230 nan 0.000 0.465 37 P HA 0.107 nan 4.420 nan 0.000 0.271 37 P C -0.128 177.216 177.300 0.073 0.000 1.216 37 P CA -0.261 62.897 63.100 0.096 0.000 0.771 37 P CB 0.567 32.300 31.700 0.055 0.000 0.864 38 D N 1.555 122.033 120.400 0.130 0.000 2.203 38 D HA -0.216 4.425 4.640 0.002 0.000 0.199 38 D C 1.572 177.902 176.300 0.049 0.000 0.997 38 D CA 1.420 55.490 54.000 0.116 0.000 0.863 38 D CB -0.195 40.677 40.800 0.119 0.000 0.928 38 D HN 0.594 nan 8.370 nan 0.000 0.458 39 E N -0.366 119.860 120.200 0.043 0.000 2.077 39 E HA -0.148 4.202 4.350 0.002 0.000 0.193 39 E C 1.717 178.326 176.600 0.016 0.000 0.989 39 E CA 1.373 57.791 56.400 0.030 0.000 0.800 39 E CB 0.156 29.872 29.700 0.028 0.000 0.746 39 E HN 0.159 nan 8.360 nan 0.000 0.452 40 T N 0.218 114.772 114.554 0.001 0.000 2.701 40 T HA -0.125 4.226 4.350 0.002 0.000 0.263 40 T C 1.940 176.634 174.700 -0.011 0.000 1.040 40 T CA 1.325 63.414 62.100 -0.018 0.000 1.147 40 T CB -0.251 68.599 68.868 -0.030 0.000 0.865 40 T HN 0.011 nan 8.240 nan 0.000 0.426 41 V N 1.928 121.821 119.914 -0.035 0.000 2.287 41 V HA -0.244 3.877 4.120 0.002 0.000 0.248 41 V C 2.492 178.662 176.094 0.127 0.000 1.053 41 V CA 2.096 64.408 62.300 0.019 0.000 1.027 41 V CB -0.630 31.067 31.823 -0.210 0.000 0.646 41 V HN 0.483 nan 8.190 nan 0.000 0.447 42 K N 0.596 121.039 120.400 0.073 0.000 2.074 42 K HA -0.213 4.108 4.320 0.002 0.000 0.209 42 K C 2.077 178.732 176.600 0.092 0.000 1.048 42 K CA 1.914 58.254 56.287 0.089 0.000 0.926 42 K CB -0.416 32.121 32.500 0.062 0.000 0.713 42 K HN 0.419 nan 8.250 nan 0.000 0.444 43 A N 0.894 123.748 122.820 0.056 0.000 1.929 43 A HA -0.027 4.294 4.320 0.002 0.000 0.216 43 A C 2.115 179.716 177.584 0.029 0.000 1.176 43 A CA 1.063 53.120 52.037 0.034 0.000 0.628 43 A CB -0.489 18.514 19.000 0.005 0.000 0.816 43 A HN 0.332 nan 8.150 nan 0.000 0.444 44 L N -0.610 120.623 121.223 0.016 0.000 2.046 44 L HA -0.205 4.136 4.340 0.002 0.000 0.208 44 L C 2.402 179.317 176.870 0.074 0.000 1.077 44 L CA 1.714 56.515 54.840 -0.066 0.000 0.747 44 L CB -0.510 41.388 42.059 -0.267 0.000 0.896 44 L HN 0.359 nan 8.230 nan 0.000 0.432 45 D N 0.038 120.625 120.400 0.312 0.000 2.104 45 D HA -0.212 4.429 4.640 0.002 0.000 0.194 45 D C 1.736 178.157 176.300 0.201 0.000 0.994 45 D CA 1.370 55.613 54.000 0.405 0.000 0.830 45 D CB 0.023 41.032 40.800 0.347 0.000 0.959 45 D HN 0.198 nan 8.370 nan 0.000 0.452 46 D N -0.609 119.870 120.400 0.132 0.000 2.144 46 D HA -0.119 4.521 4.640 0.002 0.000 0.199 46 D C 2.129 178.467 176.300 0.063 0.000 0.984 46 D CA 1.281 55.332 54.000 0.084 0.000 0.834 46 D CB -0.256 40.582 40.800 0.063 0.000 0.955 46 D HN 0.336 nan 8.370 nan 0.000 0.465 47 V N -2.844 117.102 119.914 0.053 0.000 3.217 47 V HA 0.285 4.406 4.120 0.002 0.000 0.264 47 V C 1.544 177.665 176.094 0.045 0.000 1.135 47 V CA 0.957 63.279 62.300 0.037 0.000 1.142 47 V CB -0.505 31.329 31.823 0.019 0.000 0.754 47 V HN 0.253 nan 8.190 nan 0.000 0.484 48 G N -0.324 108.517 108.800 0.067 0.000 2.131 48 G HA2 -0.348 3.612 3.960 0.002 0.000 0.223 48 G HA3 -0.348 3.612 3.960 0.002 0.000 0.223 48 G C 0.315 175.234 174.900 0.031 0.000 0.990 48 G CA 0.386 45.521 45.100 0.058 0.000 0.671 48 G HN 0.698 nan 8.290 nan 0.000 0.521 49 F N 0.880 120.738 119.950 -0.153 0.000 2.095 49 F HA 0.058 4.586 4.527 0.002 0.000 0.298 49 F C 2.185 177.862 175.800 -0.206 0.000 1.104 49 F CA 2.414 60.249 58.000 -0.275 0.000 1.232 49 F CB -0.268 38.424 39.000 -0.514 0.000 0.987 49 F HN 0.137 nan 8.300 nan 0.000 0.475 50 F N 0.611 120.584 119.950 0.039 0.000 2.451 50 F HA -0.072 4.455 4.527 0.001 0.000 0.299 50 F C 2.683 178.423 175.800 -0.101 0.000 1.101 50 F CA 1.298 59.273 58.000 -0.042 0.000 1.436 50 F CB -1.615 37.467 39.000 0.136 0.000 1.074 50 F HN 0.119 nan 8.300 nan 0.000 0.553 51 T N -2.244 112.333 114.554 0.038 0.000 3.118 51 T HA -0.024 4.327 4.350 0.002 0.000 0.260 51 T C 1.938 176.611 174.700 -0.045 0.000 1.139 51 T CA 0.471 62.559 62.100 -0.021 0.000 1.085 51 T CB -0.605 68.253 68.868 -0.017 0.000 0.934 51 T HN 0.291 nan 8.240 nan 0.000 0.518 52 L N 0.039 121.204 121.223 -0.097 0.000 2.013 52 L HA 0.028 4.369 4.340 0.002 0.000 0.212 52 L C 2.302 179.133 176.870 -0.065 0.000 1.073 52 L CA 1.510 56.301 54.840 -0.082 0.000 0.753 52 L CB -0.338 41.674 42.059 -0.078 0.000 0.890 52 L HN 0.331 nan 8.230 nan 0.000 0.432 53 L N -1.272 119.899 121.223 -0.085 0.000 2.667 53 L HA 0.141 4.482 4.340 0.002 0.000 0.232 53 L C 0.812 177.819 176.870 0.229 0.000 1.138 53 L CA -0.254 54.582 54.840 -0.007 0.000 0.921 53 L CB 0.177 42.131 42.059 -0.174 0.000 1.180 53 L HN 0.269 nan 8.230 nan 0.000 0.487 54 Q N 1.743 121.618 119.800 0.125 0.000 2.293 54 Q HA 0.238 4.579 4.340 0.002 0.000 0.251 54 Q C -2.252 173.866 176.000 0.196 0.000 0.930 54 Q CA -1.826 54.037 55.803 0.100 0.000 0.893 54 Q CB 1.393 30.030 28.738 -0.169 0.000 1.215 54 Q HN -0.068 nan 8.270 nan 0.000 0.425 55 P HA -0.084 nan 4.420 nan 0.000 0.269 55 P C -0.536 176.839 177.300 0.124 0.000 1.215 55 P CA 0.080 63.355 63.100 0.291 0.000 0.780 55 P CB 0.636 32.462 31.700 0.210 0.000 0.898 56 Q N 2.995 122.843 119.800 0.079 0.000 2.170 56 Q HA -0.279 4.062 4.340 0.002 0.000 0.203 56 Q C 1.865 177.812 176.000 -0.087 0.000 0.976 56 Q CA 1.999 57.804 55.803 0.003 0.000 0.858 56 Q CB -1.096 27.646 28.738 0.006 0.000 0.907 56 Q HN 0.562 nan 8.270 nan 0.000 0.433 57 Q N -0.588 119.095 119.800 -0.195 0.000 2.248 57 Q HA -0.182 4.159 4.340 0.002 0.000 0.208 57 Q C 0.704 176.383 176.000 -0.534 0.000 0.984 57 Q CA 1.565 57.107 55.803 -0.435 0.000 0.875 57 Q CB -0.550 27.798 28.738 -0.650 0.000 0.910 57 Q HN 0.678 nan 8.270 nan 0.000 0.433 58 W N -0.243 121.021 121.300 -0.060 0.000 3.239 58 W HA 0.468 5.130 4.660 0.003 0.000 0.368 58 W C 0.917 177.334 176.519 -0.170 0.000 1.154 58 W CA -0.128 57.139 57.345 -0.131 0.000 1.860 58 W CB 0.895 30.186 29.460 -0.280 0.000 1.094 58 W HN 0.377 nan 8.180 nan 0.000 0.643 59 G N 0.204 109.018 108.800 0.023 0.000 2.176 59 G HA2 -0.230 3.731 3.960 0.002 0.000 0.253 59 G HA3 -0.230 3.731 3.960 0.002 0.000 0.253 59 G C 0.655 175.546 174.900 -0.015 0.000 0.979 59 G CA -0.324 44.775 45.100 -0.001 0.000 0.641 59 G HN 0.500 nan 8.290 nan 0.000 0.530 60 G N -0.935 107.854 108.800 -0.018 0.000 2.621 60 G HA2 0.563 4.524 3.960 0.002 0.000 0.271 60 G HA3 0.563 4.524 3.960 0.002 0.000 0.271 60 G C 0.998 175.905 174.900 0.011 0.000 1.236 60 G CA -0.292 44.797 45.100 -0.018 0.000 0.958 60 G HN 0.560 nan 8.290 nan 0.000 0.512 61 L N -0.254 120.976 121.223 0.011 0.000 2.616 61 L HA 0.120 4.461 4.340 0.002 0.000 0.229 61 L C 1.238 178.117 176.870 0.015 0.000 1.110 61 L CA 0.203 55.048 54.840 0.008 0.000 0.884 61 L CB -0.161 41.891 42.059 -0.011 0.000 1.115 61 L HN 0.815 nan 8.230 nan 0.000 0.481 62 Q N 0.191 120.021 119.800 0.050 0.000 2.372 62 Q HA -0.258 4.083 4.340 0.002 0.000 0.333 62 Q C 0.397 176.353 176.000 -0.073 0.000 1.285 62 Q CA 0.551 56.368 55.803 0.024 0.000 0.983 62 Q CB -2.843 25.947 28.738 0.086 0.000 1.229 62 Q HN 0.614 nan 8.270 nan 0.000 0.442 63 C N -0.969 118.279 119.300 -0.087 0.000 2.633 63 C HA 0.397 4.858 4.460 0.002 0.000 0.345 63 C C 0.933 175.773 174.990 -0.250 0.000 1.384 63 C CA -0.391 58.558 59.018 -0.115 0.000 2.418 63 C CB 0.991 28.675 27.740 -0.092 0.000 2.425 63 C HN 0.573 nan 8.230 nan 0.000 0.705 64 D N 2.693 122.922 120.400 -0.284 0.000 2.412 64 D HA 0.127 4.768 4.640 0.002 0.000 0.257 64 D C -0.915 175.086 176.300 -0.498 0.000 1.217 64 D CA -1.631 52.007 54.000 -0.603 0.000 0.897 64 D CB 0.834 41.462 40.800 -0.287 0.000 1.132 64 D HN 0.474 nan 8.370 nan 0.000 0.493 65 P HA -0.126 nan 4.420 nan 0.000 0.222 65 P C 1.039 178.203 177.300 -0.228 0.000 1.147 65 P CA 0.897 63.729 63.100 -0.446 0.000 0.790 65 P CB 0.108 31.549 31.700 -0.431 0.000 0.780 66 A N 0.436 123.175 122.820 -0.135 0.000 1.940 66 A HA -0.147 4.174 4.320 0.002 0.000 0.219 66 A C 2.368 179.989 177.584 0.061 0.000 1.176 66 A CA 1.376 53.430 52.037 0.029 0.000 0.631 66 A CB -1.559 17.433 19.000 -0.013 0.000 0.814 66 A HN 0.153 nan 8.150 nan 0.000 0.446 67 L N -2.187 119.024 121.223 -0.019 0.000 2.093 67 L HA -0.133 4.207 4.340 0.002 0.000 0.208 67 L C 2.478 179.342 176.870 -0.010 0.000 1.085 67 L CA 1.486 56.325 54.840 -0.001 0.000 0.755 67 L CB -0.645 41.395 42.059 -0.031 0.000 0.904 67 L HN 0.500 nan 8.230 nan 0.000 0.435 68 F N 0.781 120.597 119.950 -0.223 0.000 2.095 68 F HA -0.261 4.267 4.527 0.001 0.000 0.298 68 F C 2.171 177.867 175.800 -0.174 0.000 1.104 68 F CA 1.608 59.423 58.000 -0.308 0.000 1.232 68 F CB -0.286 38.363 39.000 -0.585 0.000 0.987 68 F HN -0.128 nan 8.300 nan 0.000 0.475 69 F N 0.874 120.876 119.950 0.085 0.000 2.234 69 F HA -0.070 4.459 4.527 0.003 0.000 0.299 69 F C 2.440 178.336 175.800 0.160 0.000 1.087 69 F CA 1.359 59.404 58.000 0.074 0.000 1.340 69 F CB -1.247 37.818 39.000 0.108 0.000 1.031 69 F HN 0.065 nan 8.300 nan 0.000 0.500 70 E N 0.885 121.291 120.200 0.343 0.000 2.130 70 E HA -0.213 4.138 4.350 0.002 0.000 0.196 70 E C 2.140 178.725 176.600 -0.025 0.000 0.998 70 E CA 1.580 58.101 56.400 0.201 0.000 0.806 70 E CB -0.417 29.371 29.700 0.147 0.000 0.738 70 E HN 0.242 nan 8.360 nan 0.000 0.459 71 A N -0.163 122.614 122.820 -0.071 0.000 1.897 71 A HA -0.135 4.186 4.320 0.002 0.000 0.215 71 A C 2.503 180.009 177.584 -0.130 0.000 1.181 71 A CA 2.363 54.340 52.037 -0.100 0.000 0.620 71 A CB -1.374 17.596 19.000 -0.050 0.000 0.821 71 A HN 0.517 nan 8.150 nan 0.000 0.443 72 T N -1.958 112.503 114.554 -0.155 0.000 2.788 72 T HA -0.203 4.148 4.350 0.002 0.000 0.268 72 T C 2.004 176.669 174.700 -0.058 0.000 1.044 72 T CA 1.445 63.481 62.100 -0.106 0.000 1.139 72 T CB -0.399 68.438 68.868 -0.052 0.000 0.867 72 T HN 0.482 nan 8.240 nan 0.000 0.454 73 R N 0.972 121.430 120.500 -0.071 0.000 2.083 73 R HA -0.053 4.288 4.340 0.002 0.000 0.237 73 R C 2.872 179.040 176.300 -0.220 0.000 1.137 73 R CA 1.389 57.369 56.100 -0.200 0.000 0.951 73 R CB -0.190 29.763 30.300 -0.580 0.000 0.851 73 R HN 0.440 nan 8.270 nan 0.000 0.434 74 R N 0.190 120.555 120.500 -0.225 0.000 2.083 74 R HA -0.134 4.207 4.340 0.002 0.000 0.237 74 R C 2.450 178.683 176.300 -0.113 0.000 1.137 74 R CA 1.661 57.650 56.100 -0.184 0.000 0.951 74 R CB -0.434 29.768 30.300 -0.163 0.000 0.851 74 R HN 0.269 nan 8.270 nan 0.000 0.434 75 L N 0.039 121.194 121.223 -0.115 0.000 2.056 75 L HA -0.109 4.232 4.340 0.002 0.000 0.207 75 L C 2.608 179.477 176.870 -0.003 0.000 1.078 75 L CA 1.165 55.949 54.840 -0.093 0.000 0.749 75 L CB -0.523 41.425 42.059 -0.185 0.000 0.901 75 L HN 0.240 nan 8.230 nan 0.000 0.433 76 A N -0.219 122.614 122.820 0.021 0.000 2.121 76 A HA -0.153 4.168 4.320 0.002 0.000 0.218 76 A C 2.417 180.096 177.584 0.159 0.000 1.154 76 A CA 1.505 53.614 52.037 0.118 0.000 0.679 76 A CB -0.520 18.559 19.000 0.133 0.000 0.795 76 A HN 0.511 nan 8.150 nan 0.000 0.458 77 S N -0.580 115.153 115.700 0.056 0.000 2.561 77 S HA 0.031 4.502 4.470 0.002 0.000 0.225 77 S C 1.334 176.045 174.600 0.185 0.000 0.977 77 S CA 1.044 59.255 58.200 0.018 0.000 0.926 77 S CB -0.374 62.782 63.200 -0.073 0.000 0.769 77 S HN 0.974 nan 8.310 nan 0.000 0.533 78 V N -2.800 117.254 119.914 0.233 0.000 3.484 78 V HA 0.489 4.610 4.120 0.002 0.000 0.252 78 V C 0.586 176.810 176.094 0.217 0.000 1.282 78 V CA -0.027 62.432 62.300 0.264 0.000 1.104 78 V CB -0.084 31.808 31.823 0.115 0.000 0.868 78 V HN 0.603 nan 8.190 nan 0.000 0.457 79 C N 1.380 120.791 119.300 0.186 0.000 2.789 79 C HA 0.743 5.204 4.460 0.002 0.000 0.367 79 C C 1.793 176.871 174.990 0.147 0.000 1.062 79 C CA 0.218 59.292 59.018 0.094 0.000 1.297 79 C CB 0.518 28.282 27.740 0.040 0.000 1.794 79 C HN 0.625 nan 8.230 nan 0.000 0.474 80 G N 3.194 112.092 108.800 0.164 0.000 2.476 80 G HA2 -0.168 3.792 3.960 0.002 0.000 0.218 80 G HA3 -0.168 3.792 3.960 0.002 0.000 0.218 80 G C 1.704 176.730 174.900 0.210 0.000 1.164 80 G CA 1.536 46.766 45.100 0.216 0.000 0.768 80 G HN 0.775 nan 8.290 nan 0.000 0.560 81 S N 0.079 115.868 115.700 0.148 0.000 2.370 81 S HA -0.136 4.335 4.470 0.002 0.000 0.226 81 S C 2.558 177.293 174.600 0.225 0.000 1.033 81 S CA 1.829 60.141 58.200 0.186 0.000 1.011 81 S CB -0.480 62.798 63.200 0.131 0.000 0.852 81 S HN 0.483 nan 8.310 nan 0.000 0.457 82 T N 1.213 115.850 114.554 0.139 0.000 2.777 82 T HA -0.029 4.322 4.350 0.002 0.000 0.266 82 T C 2.037 176.776 174.700 0.064 0.000 1.040 82 T CA 1.273 63.420 62.100 0.078 0.000 1.141 82 T CB -0.790 68.084 68.868 0.011 0.000 0.868 82 T HN 0.538 nan 8.240 nan 0.000 0.444 83 G N 0.365 109.224 108.800 0.099 0.000 2.418 83 G HA2 -0.210 3.751 3.960 0.002 0.000 0.217 83 G HA3 -0.210 3.751 3.960 0.002 0.000 0.217 83 G C 1.436 176.449 174.900 0.188 0.000 1.158 83 G CA 0.452 45.605 45.100 0.089 0.000 0.771 83 G HN 0.526 nan 8.290 nan 0.000 0.545 84 W N 1.061 122.417 121.300 0.095 0.000 2.353 84 W HA -0.160 4.501 4.660 0.002 0.000 0.319 84 W C 2.280 178.898 176.519 0.165 0.000 1.207 84 W CA 1.801 59.232 57.345 0.143 0.000 1.291 84 W CB -0.551 29.013 29.460 0.173 0.000 1.159 84 W HN 0.117 nan 8.180 nan 0.000 0.478 85 V N 1.125 121.252 119.914 0.355 0.000 2.332 85 V HA -0.336 3.785 4.120 0.002 0.000 0.248 85 V C 2.534 178.751 176.094 0.205 0.000 1.055 85 V CA 2.299 64.750 62.300 0.252 0.000 1.038 85 V CB -1.282 30.697 31.823 0.260 0.000 0.651 85 V HN 0.146 nan 8.190 nan 0.000 0.450 86 S N -0.363 115.430 115.700 0.155 0.000 2.348 86 S HA -0.236 4.235 4.470 0.002 0.000 0.221 86 S C 2.265 177.115 174.600 0.418 0.000 1.033 86 S CA 1.851 60.146 58.200 0.159 0.000 1.010 86 S CB -0.452 62.527 63.200 -0.368 0.000 0.891 86 S HN 0.646 nan 8.310 nan 0.000 0.442 87 S N 1.263 117.110 115.700 0.244 0.000 2.353 87 S HA -0.084 4.387 4.470 0.002 0.000 0.222 87 S C 1.823 176.614 174.600 0.319 0.000 1.035 87 S CA 1.279 59.672 58.200 0.323 0.000 1.025 87 S CB -0.531 62.758 63.200 0.148 0.000 0.902 87 S HN 0.472 nan 8.310 nan 0.000 0.440 88 I N 0.892 121.503 120.570 0.068 0.000 2.252 88 I HA -0.103 4.068 4.170 0.002 0.000 0.245 88 I C 2.271 178.221 176.117 -0.278 0.000 1.102 88 I CA 1.052 62.314 61.300 -0.064 0.000 1.385 88 I CB -0.340 37.607 38.000 -0.089 0.000 1.064 88 I HN 0.238 nan 8.210 nan 0.000 0.414 89 V N 0.774 120.709 119.914 0.034 0.000 2.591 89 V HA -0.070 4.051 4.120 0.002 0.000 0.249 89 V C 2.562 178.838 176.094 0.302 0.000 1.053 89 V CA 1.751 64.127 62.300 0.126 0.000 1.068 89 V CB -1.004 31.012 31.823 0.322 0.000 0.689 89 V HN 0.524 nan 8.190 nan 0.000 0.462 90 G N -0.405 108.708 108.800 0.522 0.000 2.440 90 G HA2 -0.235 3.726 3.960 0.002 0.000 0.218 90 G HA3 -0.235 3.726 3.960 0.002 0.000 0.218 90 G C 1.749 176.743 174.900 0.157 0.000 1.154 90 G CA 1.204 46.600 45.100 0.494 0.000 0.767 90 G HN 0.366 nan 8.290 nan 0.000 0.552 91 V N 0.440 120.406 119.914 0.087 0.000 2.759 91 V HA -0.108 4.013 4.120 0.002 0.000 0.256 91 V C 2.418 178.777 176.094 0.442 0.000 1.080 91 V CA 2.032 64.351 62.300 0.032 0.000 1.101 91 V CB -0.656 31.202 31.823 0.057 0.000 0.698 91 V HN 0.650 nan 8.190 nan 0.000 0.477 92 H N -0.100 119.282 119.070 0.520 0.000 2.421 92 H HA -0.104 4.453 4.556 0.001 0.000 0.298 92 H C 2.069 177.737 175.328 0.566 0.000 1.087 92 H CA 1.364 57.809 56.048 0.662 0.000 1.330 92 H CB 0.047 30.127 29.762 0.530 0.000 1.388 92 H HN 0.413 nan 8.280 nan 0.000 0.526 93 N N 0.053 119.096 118.700 0.572 0.000 2.381 93 N HA -0.153 4.588 4.740 0.002 0.000 0.182 93 N C 1.434 177.271 175.510 0.545 0.000 1.025 93 N CA 0.734 54.135 53.050 0.585 0.000 0.888 93 N CB -0.265 38.475 38.487 0.421 0.000 0.965 93 N HN 0.527 nan 8.380 nan 0.000 0.438 94 W N 0.970 122.465 121.300 0.325 0.000 2.441 94 W HA -0.025 4.636 4.660 0.002 0.000 0.302 94 W C 2.420 179.182 176.519 0.405 0.000 1.191 94 W CA 1.307 58.867 57.345 0.359 0.000 1.327 94 W CB -0.663 28.919 29.460 0.204 0.000 1.128 94 W HN 0.207 nan 8.180 nan 0.000 0.522 95 H N -0.417 118.945 119.070 0.487 0.000 2.387 95 H HA -0.212 4.345 4.556 0.002 0.000 0.299 95 H C 2.116 177.467 175.328 0.038 0.000 1.090 95 H CA 1.481 57.634 56.048 0.174 0.000 1.332 95 H CB -0.068 29.926 29.762 0.387 0.000 1.386 95 H HN 0.201 nan 8.280 nan 0.000 0.516 96 L N 1.005 122.353 121.223 0.209 0.000 2.141 96 L HA -0.050 4.291 4.340 0.002 0.000 0.209 96 L C 2.526 179.355 176.870 -0.069 0.000 1.094 96 L CA 1.629 56.443 54.840 -0.044 0.000 0.763 96 L CB -0.872 40.987 42.059 -0.332 0.000 0.908 96 L HN 0.316 nan 8.230 nan 0.000 0.437 97 A N -0.714 122.060 122.820 -0.076 0.000 2.024 97 A HA -0.165 4.156 4.320 0.002 0.000 0.220 97 A C 2.148 179.535 177.584 -0.329 0.000 1.164 97 A CA 1.880 53.747 52.037 -0.283 0.000 0.643 97 A CB -0.743 17.737 19.000 -0.866 0.000 0.806 97 A HN 0.512 nan 8.150 nan 0.000 0.451 98 L N -2.219 118.823 121.223 -0.300 0.000 2.446 98 L HA 0.140 4.481 4.340 0.002 0.000 0.219 98 L C 0.510 177.246 176.870 -0.224 0.000 1.116 98 L CA -0.286 54.384 54.840 -0.283 0.000 0.844 98 L CB -0.406 41.436 42.059 -0.362 0.000 0.970 98 L HN 0.275 nan 8.230 nan 0.000 0.457 99 F N 0.871 120.622 119.950 -0.331 0.000 2.485 99 F HA -0.047 4.481 4.527 0.001 0.000 0.327 99 F C 1.431 177.122 175.800 -0.182 0.000 1.203 99 F CA -0.227 57.599 58.000 -0.290 0.000 1.295 99 F CB 0.234 39.047 39.000 -0.311 0.000 1.191 99 F HN -0.014 nan 8.300 nan 0.000 0.588 100 D N 1.508 121.934 120.400 0.042 0.000 2.515 100 D HA -0.151 4.490 4.640 0.002 0.000 0.232 100 D C 0.967 177.307 176.300 0.067 0.000 1.157 100 D CA -0.042 53.985 54.000 0.045 0.000 0.871 100 D CB 0.887 41.742 40.800 0.092 0.000 1.200 100 D HN 0.624 nan 8.370 nan 0.000 0.466 101 Q N 3.631 123.463 119.800 0.054 0.000 2.181 101 Q HA -0.218 4.123 4.340 0.002 0.000 0.205 101 Q C 2.088 178.147 176.000 0.099 0.000 0.980 101 Q CA 1.682 57.543 55.803 0.097 0.000 0.862 101 Q CB -0.080 28.699 28.738 0.068 0.000 0.905 101 Q HN 0.545 nan 8.270 nan 0.000 0.429 102 R N -0.797 119.726 120.500 0.038 0.000 2.075 102 R HA -0.087 4.254 4.340 0.002 0.000 0.232 102 R C 2.057 178.373 176.300 0.027 0.000 1.126 102 R CA 1.302 57.397 56.100 -0.008 0.000 0.963 102 R CB -0.455 29.722 30.300 -0.205 0.000 0.858 102 R HN 0.358 nan 8.270 nan 0.000 0.435 103 A N 0.783 123.656 122.820 0.088 0.000 1.902 103 A HA -0.217 4.104 4.320 0.002 0.000 0.217 103 A C 2.035 179.383 177.584 -0.394 0.000 1.181 103 A CA 1.463 53.449 52.037 -0.084 0.000 0.623 103 A CB -0.444 18.533 19.000 -0.039 0.000 0.818 103 A HN 0.501 nan 8.150 nan 0.000 0.443 104 Q N -1.007 118.619 119.800 -0.289 0.000 2.124 104 Q HA -0.225 4.116 4.340 0.002 0.000 0.202 104 Q C 2.090 177.748 176.000 -0.571 0.000 0.977 104 Q CA 1.635 57.146 55.803 -0.487 0.000 0.850 104 Q CB -0.165 28.599 28.738 0.043 0.000 0.901 104 Q HN 0.787 nan 8.270 nan 0.000 0.429 105 E N 1.426 121.541 120.200 -0.142 0.000 2.051 105 E HA -0.208 4.143 4.350 0.002 0.000 0.192 105 E C 1.548 178.031 176.600 -0.194 0.000 0.991 105 E CA 1.549 57.927 56.400 -0.037 0.000 0.799 105 E CB 0.040 29.832 29.700 0.155 0.000 0.748 105 E HN 0.342 nan 8.360 nan 0.000 0.449 106 E N -0.389 119.683 120.200 -0.215 0.000 2.085 106 E HA -0.174 4.177 4.350 0.002 0.000 0.194 106 E C 2.158 178.526 176.600 -0.386 0.000 0.994 106 E CA 1.493 57.781 56.400 -0.187 0.000 0.801 106 E CB -0.008 29.625 29.700 -0.112 0.000 0.743 106 E HN 0.172 nan 8.360 nan 0.000 0.453 107 V N -0.080 119.307 119.914 -0.880 0.000 2.283 107 V HA -0.158 3.963 4.120 0.002 0.000 0.243 107 V C 1.395 177.073 176.094 -0.693 0.000 1.039 107 V CA 1.251 62.819 62.300 -1.219 0.000 1.016 107 V CB -0.242 30.442 31.823 -1.899 0.000 0.650 107 V HN 0.422 nan 8.190 nan 0.000 0.449 108 W N 0.234 121.113 121.300 -0.702 0.000 3.132 108 W HA 0.436 5.097 4.660 0.002 0.000 0.364 108 W C 1.993 178.243 176.519 -0.449 0.000 1.129 108 W CA -0.004 56.945 57.345 -0.660 0.000 1.815 108 W CB -1.020 27.797 29.460 -1.073 0.000 1.099 108 W HN 0.318 nan 8.180 nan 0.000 0.605 109 G N 1.313 110.032 108.800 -0.135 0.000 2.491 109 G HA2 -0.266 3.695 3.960 0.002 0.000 0.218 109 G HA3 -0.266 3.695 3.960 0.002 0.000 0.218 109 G C 1.473 176.457 174.900 0.140 0.000 1.180 109 G CA 1.173 46.329 45.100 0.094 0.000 0.774 109 G HN 0.097 nan 8.290 nan 0.000 0.562 110 E N 0.501 120.755 120.200 0.091 0.000 2.021 110 E HA -0.019 4.331 4.350 0.002 0.000 0.189 110 E C 0.271 176.932 176.600 0.101 0.000 0.980 110 E CA 0.696 57.152 56.400 0.094 0.000 0.803 110 E CB -0.114 29.632 29.700 0.076 0.000 0.766 110 E HN 0.361 nan 8.360 nan 0.000 0.449 111 D N 0.186 120.647 120.400 0.101 0.000 2.446 111 D HA 0.166 4.807 4.640 0.002 0.000 0.251 111 D C -2.162 174.211 176.300 0.121 0.000 1.137 111 D CA -2.521 51.539 54.000 0.101 0.000 0.890 111 D CB 1.507 42.364 40.800 0.094 0.000 1.071 111 D HN -0.267 nan 8.370 nan 0.000 0.528 112 P HA -0.091 nan 4.420 nan 0.000 0.226 112 P C 0.918 178.077 177.300 -0.236 0.000 1.146 112 P CA 0.801 63.833 63.100 -0.112 0.000 0.773 112 P CB 0.182 31.854 31.700 -0.047 0.000 0.772 113 S N -3.565 112.120 115.700 -0.026 0.000 2.556 113 S HA 0.082 4.553 4.470 0.002 0.000 0.216 113 S C 0.766 175.410 174.600 0.073 0.000 0.970 113 S CA -0.270 57.931 58.200 0.002 0.000 0.912 113 S CB -1.283 61.941 63.200 0.041 0.000 0.790 113 S HN -0.027 nan 8.310 nan 0.000 0.504 114 T N 3.640 118.303 114.554 0.181 0.000 2.939 114 T HA 0.135 4.486 4.350 0.002 0.000 0.319 114 T C 0.188 175.015 174.700 0.212 0.000 1.082 114 T CA 0.418 62.638 62.100 0.200 0.000 1.133 114 T CB 0.232 69.228 68.868 0.214 0.000 1.019 114 T HN 0.425 nan 8.240 nan 0.000 0.548 115 R N 1.233 121.794 120.500 0.101 0.000 2.803 115 R HA 0.670 5.011 4.340 0.002 0.000 0.276 115 R C -0.938 175.390 176.300 0.047 0.000 0.978 115 R CA -0.908 55.220 56.100 0.046 0.000 0.939 115 R CB 1.424 31.666 30.300 -0.096 0.000 1.179 115 R HN 0.408 nan 8.270 nan 0.000 0.472 116 I N 0.359 120.949 120.570 0.032 0.000 2.646 116 I HA 0.348 4.519 4.170 0.002 0.000 0.299 116 I C 0.303 176.436 176.117 0.028 0.000 1.036 116 I CA -0.305 60.925 61.300 -0.116 0.000 1.074 116 I CB 2.082 39.784 38.000 -0.497 0.000 1.258 116 I HN 0.701 nan 8.210 nan 0.000 0.430 117 S N 2.224 117.833 115.700 -0.152 0.000 2.801 117 S HA 0.980 5.451 4.470 0.002 0.000 0.312 117 S C -0.381 173.962 174.600 -0.429 0.000 1.112 117 S CA -0.358 57.812 58.200 -0.051 0.000 0.943 117 S CB 1.702 64.919 63.200 0.028 0.000 1.269 117 S HN 0.876 nan 8.310 nan 0.000 0.558 118 S N -0.791 114.765 115.700 -0.240 0.000 2.587 118 S HA 0.720 5.191 4.470 0.002 0.000 0.269 118 S C -1.199 173.277 174.600 -0.207 0.000 1.154 118 S CA -0.572 57.379 58.200 -0.415 0.000 0.824 118 S CB 1.169 63.887 63.200 -0.803 0.000 1.118 118 S HN 1.399 nan 8.310 nan 0.000 0.462 119 S N 0.577 116.114 115.700 -0.271 0.000 2.737 119 S HA 0.522 4.993 4.470 0.002 0.000 0.269 119 S C -1.122 173.526 174.600 0.081 0.000 1.150 119 S CA -0.539 57.680 58.200 0.032 0.000 1.077 119 S CB 0.322 63.638 63.200 0.194 0.000 1.075 119 S HN 0.668 nan 8.310 nan 0.000 0.476 120 Y N 2.660 123.162 120.300 0.337 0.000 2.490 120 Y HA 0.428 4.979 4.550 0.001 0.000 0.285 120 Y C 1.700 177.864 175.900 0.440 0.000 1.117 120 Y CA 0.481 58.799 58.100 0.364 0.000 1.262 120 Y CB -0.194 38.484 38.460 0.364 0.000 1.043 120 Y HN 0.799 nan 8.280 nan 0.000 0.553 121 A N 2.695 125.840 122.820 0.541 0.000 2.498 121 A HA 0.149 4.470 4.320 0.002 0.000 0.239 121 A C -2.144 175.769 177.584 0.549 0.000 1.068 121 A CA -1.058 51.256 52.037 0.462 0.000 0.766 121 A CB -0.554 18.619 19.000 0.289 0.000 1.003 121 A HN 0.052 nan 8.150 nan 0.000 0.497 122 P HA 0.130 nan 4.420 nan 0.000 0.263 122 P C -0.239 177.191 177.300 0.215 0.000 1.601 122 P CA 0.567 63.959 63.100 0.488 0.000 1.161 122 P CB 0.160 32.201 31.700 0.569 0.000 1.730 123 M N 1.394 120.998 119.600 0.007 0.000 2.405 123 M HA 0.318 4.799 4.480 0.002 0.000 0.292 123 M C 0.771 176.542 176.300 -0.881 0.000 1.111 123 M CA 0.115 55.141 55.300 -0.456 0.000 0.979 123 M CB 0.998 33.270 32.600 -0.547 0.000 1.426 123 M HN 0.334 nan 8.290 nan 0.000 0.509 124 G N 0.174 108.630 108.800 -0.573 0.000 2.634 124 G HA2 0.835 4.796 3.960 0.002 0.000 0.309 124 G HA3 0.835 4.796 3.960 0.002 0.000 0.309 124 G C -2.227 172.710 174.900 0.062 0.000 1.299 124 G CA -0.260 44.561 45.100 -0.465 0.000 0.798 124 G HN 0.209 nan 8.290 nan 0.000 0.490 125 A N -1.868 121.000 122.820 0.080 0.000 2.612 125 A HA 0.867 5.187 4.320 0.002 0.000 0.293 125 A C -0.433 177.056 177.584 -0.157 0.000 1.075 125 A CA 0.102 52.148 52.037 0.015 0.000 0.680 125 A CB 1.466 20.466 19.000 0.001 0.000 1.279 125 A HN 2.107 nan 8.150 nan 0.000 0.411 126 G N 0.109 108.751 108.800 -0.264 0.000 2.487 126 G HA2 0.568 4.529 3.960 0.002 0.000 0.314 126 G HA3 0.568 4.529 3.960 0.002 0.000 0.314 126 G C -0.910 173.944 174.900 -0.078 0.000 1.267 126 G CA -0.365 44.493 45.100 -0.403 0.000 0.937 126 G HN 0.950 nan 8.290 nan 0.000 0.481 127 V N 3.085 122.995 119.914 -0.006 0.000 2.465 127 V HA 0.149 4.270 4.120 0.002 0.000 0.279 127 V C 0.665 176.839 176.094 0.133 0.000 1.045 127 V CA -0.642 61.694 62.300 0.060 0.000 0.938 127 V CB 1.585 33.428 31.823 0.032 0.000 0.986 127 V HN 0.535 nan 8.190 nan 0.000 0.467 128 V N 6.993 126.992 119.914 0.142 0.000 2.493 128 V HA 0.167 4.288 4.120 0.002 0.000 0.292 128 V C 0.329 176.435 176.094 0.021 0.000 1.016 128 V CA 0.518 62.867 62.300 0.080 0.000 1.097 128 V CB 0.578 32.437 31.823 0.061 0.000 0.947 128 V HN 0.774 nan 8.190 nan 0.000 0.479 129 V N 1.902 121.809 119.914 -0.012 0.000 3.156 129 V HA 0.654 4.775 4.120 0.002 0.000 0.311 129 V C -0.414 175.693 176.094 0.022 0.000 1.208 129 V CA -1.313 61.006 62.300 0.032 0.000 1.063 129 V CB 1.999 33.882 31.823 0.101 0.000 1.098 129 V HN 0.548 nan 8.190 nan 0.000 0.452 130 D N 1.240 121.659 120.400 0.032 0.000 2.487 130 D HA 0.399 5.040 4.640 0.002 0.000 0.243 130 D C 1.327 177.689 176.300 0.103 0.000 1.154 130 D CA 2.111 56.124 54.000 0.021 0.000 0.876 130 D CB 0.828 41.618 40.800 -0.015 0.000 1.161 130 D HN 1.539 nan 8.370 nan 0.000 0.478 131 G N 1.444 110.283 108.800 0.066 0.000 2.189 131 G HA2 -0.152 3.808 3.960 0.002 0.000 0.267 131 G HA3 -0.152 3.808 3.960 0.002 0.000 0.267 131 G C 0.732 175.697 174.900 0.108 0.000 0.975 131 G CA 0.670 45.853 45.100 0.138 0.000 0.644 131 G HN 1.022 nan 8.290 nan 0.000 0.537 132 G N -1.663 107.065 108.800 -0.120 0.000 2.552 132 G HA2 0.587 4.548 3.960 0.002 0.000 0.137 132 G HA3 0.587 4.548 3.960 0.002 0.000 0.137 132 G C -1.198 173.139 174.900 -0.939 0.000 1.135 132 G CA 0.052 44.767 45.100 -0.641 0.000 1.047 132 G HN 0.847 nan 8.290 nan 0.000 0.501 133 Y N -1.116 119.044 120.300 -0.233 0.000 2.581 133 Y HA 0.751 5.302 4.550 0.001 0.000 0.345 133 Y C -0.634 175.183 175.900 -0.139 0.000 1.036 133 Y CA -0.877 57.139 58.100 -0.140 0.000 1.042 133 Y CB 2.293 40.676 38.460 -0.127 0.000 1.289 133 Y HN 0.497 nan 8.280 nan 0.000 0.471 134 L N 2.559 123.826 121.223 0.074 0.000 2.276 134 L HA 0.687 5.028 4.340 0.002 0.000 0.286 134 L C -1.244 175.585 176.870 -0.068 0.000 1.024 134 L CA -0.560 54.304 54.840 0.040 0.000 0.826 134 L CB 0.879 42.981 42.059 0.072 0.000 1.211 134 L HN 0.490 nan 8.230 nan 0.000 0.422 135 V N 5.572 125.414 119.914 -0.120 0.000 2.398 135 V HA 0.578 4.699 4.120 0.002 0.000 0.286 135 V C -0.243 175.833 176.094 -0.030 0.000 1.026 135 V CA -0.689 61.492 62.300 -0.198 0.000 0.868 135 V CB 1.509 33.096 31.823 -0.393 0.000 0.982 135 V HN 0.754 nan 8.190 nan 0.000 0.443 136 N N 2.833 121.545 118.700 0.020 0.000 2.249 136 N HA 0.828 5.569 4.740 0.002 0.000 0.296 136 N C -0.181 175.344 175.510 0.024 0.000 1.051 136 N CA -0.059 53.020 53.050 0.047 0.000 0.815 136 N CB 2.583 41.066 38.487 -0.008 0.000 1.487 136 N HN 0.996 nan 8.380 nan 0.000 0.475 137 G N -0.573 108.216 108.800 -0.018 0.000 2.328 137 G HA2 0.237 4.198 3.960 0.002 0.000 0.299 137 G HA3 0.237 4.198 3.960 0.002 0.000 0.299 137 G C -1.799 172.912 174.900 -0.315 0.000 1.435 137 G CA -0.471 44.344 45.100 -0.475 0.000 0.865 137 G HN 0.320 nan 8.290 nan 0.000 0.601 138 S N 0.233 115.642 115.700 -0.485 0.000 2.669 138 S HA 0.608 5.079 4.470 0.002 0.000 0.315 138 S C -1.012 173.464 174.600 -0.208 0.000 1.106 138 S CA -0.555 57.550 58.200 -0.157 0.000 1.107 138 S CB 0.289 63.436 63.200 -0.089 0.000 0.990 138 S HN 0.418 nan 8.310 nan 0.000 0.471 139 W N 5.759 127.080 121.300 0.036 0.000 2.376 139 W HA 0.317 4.979 4.660 0.002 0.000 0.312 139 W C 0.362 176.932 176.519 0.085 0.000 1.060 139 W CA -0.930 56.450 57.345 0.058 0.000 1.221 139 W CB 1.164 30.638 29.460 0.024 0.000 1.281 139 W HN 0.683 nan 8.180 nan 0.000 0.456 140 N N 1.097 119.981 118.700 0.306 0.000 2.476 140 N HA 0.103 4.844 4.740 0.002 0.000 0.287 140 N C -0.116 175.631 175.510 0.396 0.000 1.262 140 N CA -0.531 52.698 53.050 0.299 0.000 0.980 140 N CB 0.167 38.837 38.487 0.304 0.000 1.163 140 N HN 0.533 nan 8.380 nan 0.000 0.592 141 W N -1.139 120.220 121.300 0.099 0.000 5.963 141 W HA -0.189 4.472 4.660 0.001 0.000 0.400 141 W C -0.134 176.408 176.519 0.038 0.000 1.530 141 W CA 0.653 58.026 57.345 0.046 0.000 1.004 141 W CB -1.583 27.960 29.460 0.138 0.000 2.706 141 W HN 0.478 nan 8.180 nan 0.000 1.495 142 S N 1.472 117.236 115.700 0.106 0.000 2.835 142 S HA 0.408 4.879 4.470 0.002 0.000 0.286 142 S C 0.622 175.245 174.600 0.038 0.000 1.194 142 S CA -0.310 57.953 58.200 0.106 0.000 1.031 142 S CB 0.061 63.289 63.200 0.047 0.000 1.216 142 S HN 0.168 nan 8.310 nan 0.000 0.502 143 S N 2.794 118.594 115.700 0.166 0.000 2.546 143 S HA 0.347 4.818 4.470 0.002 0.000 0.290 143 S C 1.487 176.183 174.600 0.159 0.000 1.290 143 S CA 0.415 58.707 58.200 0.153 0.000 1.069 143 S CB 0.503 63.979 63.200 0.460 0.000 0.846 143 S HN 1.234 nan 8.310 nan 0.000 0.495 144 G N 1.147 110.013 108.800 0.110 0.000 2.168 144 G HA2 -0.385 3.576 3.960 0.002 0.000 0.263 144 G HA3 -0.385 3.576 3.960 0.002 0.000 0.263 144 G C 1.099 176.082 174.900 0.138 0.000 0.977 144 G CA 0.496 45.705 45.100 0.181 0.000 0.659 144 G HN 1.208 nan 8.290 nan 0.000 0.533 145 C N -1.055 118.280 119.300 0.058 0.000 2.413 145 C HA -0.010 4.451 4.460 0.002 0.000 0.277 145 C C 2.055 177.050 174.990 0.009 0.000 1.265 145 C CA 1.397 60.442 59.018 0.045 0.000 1.752 145 C CB -0.732 27.025 27.740 0.028 0.000 1.998 145 C HN 0.465 nan 8.230 nan 0.000 0.489 146 D N 0.109 120.465 120.400 -0.074 0.000 2.354 146 D HA -0.097 4.544 4.640 0.002 0.000 0.216 146 D C 1.376 177.487 176.300 -0.315 0.000 0.970 146 D CA 1.159 55.037 54.000 -0.204 0.000 0.905 146 D CB -0.492 40.133 40.800 -0.291 0.000 0.903 146 D HN 0.736 nan 8.370 nan 0.000 0.508 147 H N -1.030 118.051 119.070 0.018 0.000 2.592 147 H HA 0.499 5.056 4.556 0.001 0.000 0.279 147 H C 0.290 175.617 175.328 -0.001 0.000 1.089 147 H CA -0.080 55.975 56.048 0.012 0.000 1.150 147 H CB 0.824 30.602 29.762 0.025 0.000 1.575 147 H HN -0.021 nan 8.280 nan 0.000 0.547 148 A N 0.602 123.474 122.820 0.087 0.000 2.384 148 A HA 0.487 4.808 4.320 0.002 0.000 0.312 148 A C 0.666 178.274 177.584 0.040 0.000 1.113 148 A CA -0.412 51.667 52.037 0.070 0.000 0.779 148 A CB 1.116 20.161 19.000 0.075 0.000 1.307 148 A HN 0.177 nan 8.150 nan 0.000 0.436 149 S N -1.380 114.354 115.700 0.056 0.000 2.629 149 S HA 0.345 4.816 4.470 0.002 0.000 0.236 149 S C -0.507 173.965 174.600 -0.213 0.000 1.010 149 S CA -0.278 57.885 58.200 -0.062 0.000 0.981 149 S CB -0.278 62.894 63.200 -0.046 0.000 0.919 149 S HN 0.628 nan 8.310 nan 0.000 0.514 150 W N 0.101 121.336 121.300 -0.108 0.000 3.062 150 W HA 0.737 5.398 4.660 0.002 0.000 0.336 150 W C -0.372 175.976 176.519 -0.285 0.000 1.224 150 W CA -0.481 56.752 57.345 -0.187 0.000 1.159 150 W CB 1.507 30.731 29.460 -0.393 0.000 1.454 150 W HN -0.099 nan 8.180 nan 0.000 0.569 151 T N 1.197 115.633 114.554 -0.196 0.000 2.932 151 T HA 0.585 4.936 4.350 0.002 0.000 0.318 151 T C -1.750 172.596 174.700 -0.589 0.000 1.265 151 T CA -0.624 61.178 62.100 -0.497 0.000 1.036 151 T CB 0.426 68.924 68.868 -0.618 0.000 1.209 151 T HN 0.064 nan 8.240 nan 0.000 0.484 152 F N 3.083 122.758 119.950 -0.459 0.000 2.394 152 F HA 0.626 5.153 4.527 0.001 0.000 0.340 152 F C 0.483 175.952 175.800 -0.552 0.000 1.105 152 F CA -0.807 56.921 58.000 -0.453 0.000 1.124 152 F CB 1.408 40.146 39.000 -0.436 0.000 1.145 152 F HN 0.321 nan 8.300 nan 0.000 0.505 153 V N 0.085 119.798 119.914 -0.336 0.000 2.709 153 V HA 0.979 5.100 4.120 0.002 0.000 0.308 153 V C -0.203 175.703 176.094 -0.313 0.000 1.062 153 V CA -0.929 60.906 62.300 -0.776 0.000 0.901 153 V CB 1.133 31.892 31.823 -1.774 0.000 1.003 153 V HN 0.907 nan 8.190 nan 0.000 0.425 154 G N 1.093 109.851 108.800 -0.070 0.000 2.410 154 G HA2 0.889 4.850 3.960 0.002 0.000 0.330 154 G HA3 0.889 4.850 3.960 0.002 0.000 0.330 154 G C -0.078 175.047 174.900 0.376 0.000 1.142 154 G CA -0.334 44.923 45.100 0.262 0.000 0.902 154 G HN 1.766 nan 8.290 nan 0.000 0.491 155 G N 0.770 109.520 108.800 -0.084 0.000 2.316 155 G HA2 0.586 4.547 3.960 0.002 0.000 0.296 155 G HA3 0.586 4.547 3.960 0.002 0.000 0.296 155 G C -3.430 171.058 174.900 -0.686 0.000 1.399 155 G CA -0.676 44.312 45.100 -0.185 0.000 0.833 155 G HN 0.611 nan 8.290 nan 0.000 0.565 156 P HA 0.527 nan 4.420 nan 0.000 0.278 156 P C -0.343 176.929 177.300 -0.046 0.000 1.258 156 P CA -0.467 62.571 63.100 -0.103 0.000 0.811 156 P CB 1.699 33.510 31.700 0.185 0.000 1.063 157 V N 2.608 122.471 119.914 -0.085 0.000 2.432 157 V HA 0.194 4.315 4.120 0.002 0.000 0.275 157 V C 0.513 176.603 176.094 -0.007 0.000 1.043 157 V CA -0.424 61.794 62.300 -0.137 0.000 0.925 157 V CB 0.670 32.297 31.823 -0.327 0.000 0.985 157 V HN 0.332 nan 8.190 nan 0.000 0.466 158 I N 5.269 125.849 120.570 0.018 0.000 2.306 158 I HA 0.372 4.543 4.170 0.002 0.000 0.288 158 I C 0.121 176.269 176.117 0.051 0.000 1.036 158 I CA -0.393 60.931 61.300 0.039 0.000 1.221 158 I CB 1.054 39.074 38.000 0.032 0.000 1.385 158 I HN 0.625 nan 8.210 nan 0.000 0.472 159 K N 6.579 127.010 120.400 0.052 0.000 2.240 159 K HA 0.210 4.531 4.320 0.002 0.000 0.271 159 K C -0.174 176.449 176.600 0.039 0.000 1.018 159 K CA -0.179 56.137 56.287 0.049 0.000 0.874 159 K CB 0.653 33.184 32.500 0.051 0.000 1.098 159 K HN 0.439 nan 8.250 nan 0.000 0.458 160 D N 3.885 124.305 120.400 0.033 0.000 2.751 160 D HA -0.198 4.443 4.640 0.002 0.000 0.233 160 D C 0.589 176.905 176.300 0.026 0.000 1.149 160 D CA 1.778 55.794 54.000 0.026 0.000 0.682 160 D CB -1.177 39.638 40.800 0.024 0.000 1.068 160 D HN 1.091 nan 8.370 nan 0.000 0.429 161 G N -0.081 108.736 108.800 0.028 0.000 2.159 161 G HA2 -0.347 3.614 3.960 0.002 0.000 0.256 161 G HA3 -0.347 3.614 3.960 0.002 0.000 0.256 161 G C 0.204 175.124 174.900 0.033 0.000 0.977 161 G CA 0.513 45.630 45.100 0.028 0.000 0.652 161 G HN 0.756 nan 8.290 nan 0.000 0.531 162 R N -0.709 119.814 120.500 0.039 0.000 2.628 162 R HA 0.645 4.986 4.340 0.002 0.000 0.288 162 R C -3.352 172.982 176.300 0.056 0.000 0.980 162 R CA -2.391 53.736 56.100 0.045 0.000 0.891 162 R CB 1.904 32.228 30.300 0.041 0.000 1.188 162 R HN 0.038 nan 8.270 nan 0.000 0.450 163 P HA -0.031 nan 4.420 nan 0.000 0.271 163 P C 0.424 177.778 177.300 0.091 0.000 1.233 163 P CA -0.315 62.842 63.100 0.094 0.000 0.764 163 P CB 1.032 32.808 31.700 0.126 0.000 0.825 164 V N -0.636 119.329 119.914 0.085 0.000 3.382 164 V HA 0.478 4.599 4.120 0.002 0.000 0.296 164 V C -0.052 176.097 176.094 0.092 0.000 1.529 164 V CA 0.067 62.415 62.300 0.079 0.000 1.048 164 V CB 0.292 32.152 31.823 0.062 0.000 0.878 164 V HN 0.359 nan 8.190 nan 0.000 0.442 165 D N -0.704 119.766 120.400 0.117 0.000 2.764 165 D HA 0.486 5.127 4.640 0.002 0.000 0.293 165 D C -2.070 174.383 176.300 0.254 0.000 1.287 165 D CA -0.260 53.836 54.000 0.160 0.000 0.768 165 D CB 2.301 43.167 40.800 0.110 0.000 1.288 165 D HN 0.055 nan 8.370 nan 0.000 0.426 166 F N 0.088 120.128 119.950 0.149 0.000 2.615 166 F HA 0.662 5.190 4.527 0.002 0.000 0.312 166 F C 0.016 175.843 175.800 0.044 0.000 1.119 166 F CA 0.468 58.573 58.000 0.176 0.000 0.979 166 F CB 1.844 40.974 39.000 0.215 0.000 1.266 166 F HN 0.520 nan 8.300 nan 0.000 0.444 167 G N 1.601 110.209 108.800 -0.320 0.000 2.435 167 G HA2 0.477 4.438 3.960 0.002 0.000 0.296 167 G HA3 0.477 4.438 3.960 0.002 0.000 0.296 167 G C -1.908 172.547 174.900 -0.741 0.000 1.240 167 G CA -0.743 43.825 45.100 -0.888 0.000 0.872 167 G HN 0.649 nan 8.290 nan 0.000 0.480 168 S N -0.378 114.764 115.700 -0.929 0.000 2.482 168 S HA 0.742 5.213 4.470 0.002 0.000 0.303 168 S C -1.363 173.001 174.600 -0.393 0.000 1.091 168 S CA -0.376 57.568 58.200 -0.426 0.000 1.057 168 S CB 1.334 64.370 63.200 -0.273 0.000 1.031 168 S HN 0.405 nan 8.310 nan 0.000 0.485 169 F N 1.965 121.918 119.950 0.004 0.000 2.421 169 F HA 0.540 5.068 4.527 0.001 0.000 0.337 169 F C -0.112 175.707 175.800 0.033 0.000 1.105 169 F CA -1.006 57.027 58.000 0.054 0.000 1.049 169 F CB 1.050 40.005 39.000 -0.076 0.000 1.139 169 F HN 0.364 nan 8.300 nan 0.000 0.479 170 L N 5.507 126.853 121.223 0.205 0.000 2.272 170 L HA 0.654 4.995 4.340 0.002 0.000 0.289 170 L C -1.018 175.907 176.870 0.091 0.000 1.032 170 L CA -0.182 54.664 54.840 0.011 0.000 0.810 170 L CB 0.335 42.205 42.059 -0.316 0.000 1.205 170 L HN 0.472 nan 8.230 nan 0.000 0.422 171 I N 7.074 127.685 120.570 0.068 0.000 2.533 171 I HA 0.464 4.635 4.170 0.002 0.000 0.290 171 I C -2.370 173.714 176.117 -0.056 0.000 1.056 171 I CA -1.841 59.482 61.300 0.038 0.000 1.057 171 I CB 2.407 40.372 38.000 -0.059 0.000 1.240 171 I HN 0.492 nan 8.210 nan 0.000 0.423 172 P HA 0.195 nan 4.420 nan 0.000 0.276 172 P C 0.212 177.155 177.300 -0.595 0.000 1.244 172 P CA -0.515 61.823 63.100 -1.269 0.000 0.801 172 P CB 1.302 32.059 31.700 -1.571 0.000 1.006 173 R N 2.482 122.544 120.500 -0.732 0.000 2.154 173 R HA -0.178 4.163 4.340 0.002 0.000 0.248 173 R C 2.015 177.819 176.300 -0.827 0.000 1.155 173 R CA 2.607 58.143 56.100 -0.939 0.000 0.979 173 R CB -1.619 28.321 30.300 -0.601 0.000 0.869 173 R HN 0.582 nan 8.270 nan 0.000 0.452 174 S N -0.451 114.930 115.700 -0.531 0.000 2.507 174 S HA -0.072 4.399 4.470 0.002 0.000 0.235 174 S C 0.741 175.177 174.600 -0.273 0.000 0.988 174 S CA 1.069 59.057 58.200 -0.354 0.000 0.944 174 S CB -0.156 62.889 63.200 -0.259 0.000 0.762 174 S HN 0.581 nan 8.310 nan 0.000 0.526 175 E N 0.326 120.371 120.200 -0.259 0.000 2.558 175 E HA 0.243 4.594 4.350 0.002 0.000 0.205 175 E C -0.761 175.864 176.600 0.042 0.000 1.006 175 E CA -0.475 55.873 56.400 -0.087 0.000 0.961 175 E CB 0.174 29.853 29.700 -0.036 0.000 1.044 175 E HN 0.890 nan 8.360 nan 0.000 0.465 176 Y N -1.819 118.418 120.300 -0.106 0.000 2.571 176 Y HA 0.516 5.067 4.550 0.001 0.000 0.341 176 Y C -0.922 174.946 175.900 -0.055 0.000 1.076 176 Y CA -1.497 56.565 58.100 -0.063 0.000 1.029 176 Y CB 1.067 39.489 38.460 -0.063 0.000 1.308 176 Y HN -0.217 nan 8.280 nan 0.000 0.461 177 E N 2.975 123.258 120.200 0.138 0.000 2.175 177 E HA 0.454 4.805 4.350 0.002 0.000 0.278 177 E C -1.162 175.524 176.600 0.143 0.000 0.969 177 E CA -0.798 55.640 56.400 0.064 0.000 0.796 177 E CB 1.018 30.746 29.700 0.047 0.000 1.104 177 E HN 0.754 nan 8.360 nan 0.000 0.395 178 I N 4.620 125.238 120.570 0.081 0.000 2.291 178 I HA 0.153 4.324 4.170 0.002 0.000 0.292 178 I C -0.021 176.128 176.117 0.054 0.000 1.064 178 I CA -0.490 60.864 61.300 0.089 0.000 1.269 178 I CB 0.639 38.668 38.000 0.049 0.000 1.418 178 I HN 0.251 nan 8.210 nan 0.000 0.485 179 K N 4.514 124.956 120.400 0.069 0.000 2.258 179 K HA 0.146 4.466 4.320 0.002 0.000 0.284 179 K C -0.330 176.305 176.600 0.059 0.000 1.051 179 K CA -0.343 55.983 56.287 0.064 0.000 0.923 179 K CB 0.525 33.071 32.500 0.076 0.000 1.046 179 K HN 0.322 nan 8.250 nan 0.000 0.474 180 D N 3.335 123.773 120.400 0.062 0.000 2.339 180 D HA 0.117 4.758 4.640 0.002 0.000 0.241 180 D C -0.102 176.266 176.300 0.112 0.000 1.183 180 D CA -0.225 53.809 54.000 0.056 0.000 0.859 180 D CB 0.712 41.545 40.800 0.055 0.000 1.067 180 D HN 0.276 nan 8.370 nan 0.000 0.484 181 V N 2.290 122.252 119.914 0.080 0.000 3.415 181 V HA 0.315 4.436 4.120 0.002 0.000 0.315 181 V C 0.146 176.281 176.094 0.068 0.000 1.516 181 V CA -0.966 61.431 62.300 0.162 0.000 1.122 181 V CB -0.538 31.387 31.823 0.169 0.000 0.988 181 V HN 0.556 nan 8.190 nan 0.000 0.474 182 W N 2.388 123.393 121.300 -0.492 0.000 2.290 182 W HA 0.493 5.155 4.660 0.002 0.000 0.408 182 W C -1.394 174.658 176.519 -0.777 0.000 0.966 182 W CA -0.392 56.639 57.345 -0.524 0.000 1.579 182 W CB 0.499 29.703 29.460 -0.426 0.000 1.662 182 W HN 0.446 nan 8.180 nan 0.000 0.341 183 Y N 4.342 124.436 120.300 -0.343 0.000 2.705 183 Y HA 0.230 4.781 4.550 0.002 0.000 0.355 183 Y C 0.232 175.860 175.900 -0.453 0.000 1.039 183 Y CA -0.807 57.093 58.100 -0.334 0.000 1.233 183 Y CB 0.109 38.475 38.460 -0.155 0.000 1.103 183 Y HN 0.070 nan 8.280 nan 0.000 0.624 184 V N -1.762 117.794 119.914 -0.596 0.000 3.126 184 V HA 0.530 4.651 4.120 0.002 0.000 0.314 184 V C 0.350 176.218 176.094 -0.376 0.000 1.138 184 V CA -0.868 61.075 62.300 -0.595 0.000 1.034 184 V CB 1.719 32.881 31.823 -1.100 0.000 1.075 184 V HN 0.196 nan 8.190 nan 0.000 0.442 185 V N 0.867 120.611 119.914 -0.283 0.000 2.871 185 V HA 0.475 4.596 4.120 0.002 0.000 0.256 185 V C 0.870 176.844 176.094 -0.200 0.000 1.082 185 V CA 1.865 64.046 62.300 -0.199 0.000 1.105 185 V CB -0.123 31.599 31.823 -0.168 0.000 0.713 185 V HN 1.374 nan 8.190 nan 0.000 0.473 186 G N -2.074 106.588 108.800 -0.230 0.000 2.684 186 G HA2 0.475 4.436 3.960 0.002 0.000 0.290 186 G HA3 0.475 4.436 3.960 0.002 0.000 0.290 186 G C -0.369 174.445 174.900 -0.144 0.000 1.425 186 G CA -0.465 44.532 45.100 -0.172 0.000 0.822 186 G HN 0.194 nan 8.290 nan 0.000 0.482 187 L N -0.308 120.869 121.223 -0.077 0.000 3.781 187 L HA -0.265 4.076 4.340 0.002 0.000 0.426 187 L C 2.415 179.379 176.870 0.156 0.000 1.197 187 L CA 0.262 55.102 54.840 0.001 0.000 0.907 187 L CB -0.772 41.230 42.059 -0.095 0.000 1.812 187 L HN 0.740 nan 8.230 nan 0.000 0.956 188 R N 0.352 120.860 120.500 0.014 0.000 2.119 188 R HA -0.182 4.159 4.340 0.002 0.000 0.246 188 R C 2.071 178.518 176.300 0.245 0.000 1.146 188 R CA 1.854 57.955 56.100 0.001 0.000 0.962 188 R CB -0.347 29.912 30.300 -0.069 0.000 0.863 188 R HN 0.623 nan 8.270 nan 0.000 0.442 189 G N -0.190 108.715 108.800 0.175 0.000 2.848 189 G HA2 -0.144 3.817 3.960 0.002 0.000 0.208 189 G HA3 -0.144 3.817 3.960 0.002 0.000 0.208 189 G C 1.266 176.272 174.900 0.176 0.000 1.152 189 G CA 0.740 45.938 45.100 0.163 0.000 0.789 189 G HN 0.448 nan 8.290 nan 0.000 0.531 190 T N -2.167 112.509 114.554 0.203 0.000 2.995 190 T HA 0.222 4.573 4.350 0.002 0.000 0.269 190 T C 1.871 176.498 174.700 -0.121 0.000 1.091 190 T CA 0.796 62.957 62.100 0.101 0.000 1.128 190 T CB -0.292 68.635 68.868 0.099 0.000 0.891 190 T HN 1.144 nan 8.240 nan 0.000 0.492 191 G N 1.438 110.074 108.800 -0.274 0.000 2.386 191 G HA2 -0.227 3.734 3.960 0.002 0.000 0.295 191 G HA3 -0.227 3.734 3.960 0.002 0.000 0.295 191 G C 0.081 174.527 174.900 -0.756 0.000 0.979 191 G CA 0.249 45.082 45.100 -0.445 0.000 1.193 191 G HN 0.619 nan 8.290 nan 0.000 0.508 192 S N 0.491 115.169 115.700 -1.703 0.000 4.087 192 S HA 0.247 4.718 4.470 0.002 0.000 0.213 192 S C 0.961 175.037 174.600 -0.872 0.000 1.415 192 S CA -0.306 57.133 58.200 -1.270 0.000 0.893 192 S CB 0.026 62.164 63.200 -1.770 0.000 1.529 192 S HN 0.713 nan 8.310 nan 0.000 0.457 193 N N 0.680 119.138 118.700 -0.404 0.000 2.418 193 N HA 0.332 5.073 4.740 0.002 0.000 0.283 193 N C -0.045 175.449 175.510 -0.027 0.000 1.267 193 N CA -0.358 52.601 53.050 -0.152 0.000 0.975 193 N CB 0.473 38.911 38.487 -0.081 0.000 1.167 193 N HN 0.139 nan 8.380 nan 0.000 0.581 194 T N 0.855 115.437 114.554 0.045 0.000 2.867 194 T HA 0.445 4.796 4.350 0.002 0.000 0.282 194 T C -0.549 174.224 174.700 0.121 0.000 1.000 194 T CA -0.457 61.706 62.100 0.104 0.000 1.042 194 T CB 0.327 69.263 68.868 0.114 0.000 0.973 194 T HN 0.157 nan 8.240 nan 0.000 0.465 195 L N 3.145 124.465 121.223 0.163 0.000 2.319 195 L HA 0.605 4.946 4.340 0.002 0.000 0.281 195 L C -0.709 176.301 176.870 0.234 0.000 1.005 195 L CA -1.037 53.903 54.840 0.167 0.000 0.828 195 L CB 1.545 43.621 42.059 0.029 0.000 1.227 195 L HN 0.302 nan 8.230 nan 0.000 0.415 196 V N 4.308 124.349 119.914 0.212 0.000 2.417 196 V HA 0.482 4.603 4.120 0.002 0.000 0.291 196 V C -0.082 176.138 176.094 0.209 0.000 1.024 196 V CA -0.617 61.797 62.300 0.189 0.000 0.861 196 V CB 2.189 34.083 31.823 0.118 0.000 0.985 196 V HN 0.442 nan 8.190 nan 0.000 0.436 197 V N 4.865 124.915 119.914 0.227 0.000 2.443 197 V HA 0.532 4.653 4.120 0.002 0.000 0.293 197 V C -0.178 175.995 176.094 0.132 0.000 1.021 197 V CA -0.788 61.631 62.300 0.197 0.000 0.848 197 V CB 1.880 33.850 31.823 0.244 0.000 0.998 197 V HN 0.740 nan 8.190 nan 0.000 0.424 198 K N 3.347 123.797 120.400 0.084 0.000 2.483 198 K HA 0.300 4.621 4.320 0.002 0.000 0.256 198 K C -0.691 175.933 176.600 0.040 0.000 0.961 198 K CA -0.320 55.997 56.287 0.051 0.000 0.873 198 K CB 1.091 33.613 32.500 0.038 0.000 1.107 198 K HN 0.822 nan 8.250 nan 0.000 0.432 199 D N 1.730 122.150 120.400 0.034 0.000 2.812 199 D HA -0.151 4.490 4.640 0.002 0.000 0.237 199 D C -0.721 175.608 176.300 0.049 0.000 1.162 199 D CA 0.671 54.691 54.000 0.034 0.000 0.740 199 D CB -0.703 40.114 40.800 0.027 0.000 1.000 199 D HN 0.105 nan 8.370 nan 0.000 0.416 200 V N 2.147 122.088 119.914 0.046 0.000 2.357 200 V HA 0.297 4.418 4.120 0.002 0.000 0.284 200 V C 0.373 176.514 176.094 0.078 0.000 1.018 200 V CA -0.977 61.358 62.300 0.059 0.000 0.841 200 V CB 1.380 33.221 31.823 0.031 0.000 0.991 200 V HN 0.227 nan 8.190 nan 0.000 0.437 201 F N 6.674 126.619 119.950 -0.008 0.000 2.543 201 F HA 0.462 4.990 4.527 0.001 0.000 0.375 201 F C -0.075 175.740 175.800 0.025 0.000 1.075 201 F CA 0.155 58.157 58.000 0.002 0.000 1.225 201 F CB 0.766 39.764 39.000 -0.002 0.000 1.099 201 F HN 0.255 nan 8.300 nan 0.000 0.561 202 V N 8.664 128.170 119.914 -0.678 0.000 2.444 202 V HA 0.374 4.495 4.120 0.002 0.000 0.294 202 V C -2.086 173.524 176.094 -0.807 0.000 1.022 202 V CA -1.814 60.189 62.300 -0.495 0.000 0.850 202 V CB 1.497 33.294 31.823 -0.043 0.000 0.992 202 V HN 0.664 nan 8.190 nan 0.000 0.426 203 P HA 0.244 nan 4.420 nan 0.000 0.274 203 P C 0.598 177.774 177.300 -0.206 0.000 1.237 203 P CA -0.404 62.426 63.100 -0.449 0.000 0.793 203 P CB 1.352 32.980 31.700 -0.120 0.000 0.977 204 R N 1.419 121.881 120.500 -0.064 0.000 2.140 204 R HA -0.232 4.109 4.340 0.002 0.000 0.250 204 R C 2.310 178.709 176.300 0.165 0.000 1.150 204 R CA 2.178 58.329 56.100 0.085 0.000 0.966 204 R CB -0.790 29.550 30.300 0.065 0.000 0.869 204 R HN 0.672 nan 8.270 nan 0.000 0.445 205 H N -1.466 117.665 119.070 0.101 0.000 2.559 205 H HA 0.063 4.620 4.556 0.002 0.000 0.273 205 H C 0.640 176.054 175.328 0.143 0.000 1.000 205 H CA 0.630 56.729 56.048 0.086 0.000 1.195 205 H CB 0.035 29.830 29.762 0.055 0.000 1.368 205 H HN 0.186 nan 8.280 nan 0.000 0.592 206 R N -0.006 120.398 120.500 -0.160 0.000 2.609 206 R HA 0.153 4.494 4.340 0.002 0.000 0.326 206 R C -0.993 175.487 176.300 0.300 0.000 1.090 206 R CA -0.355 55.791 56.100 0.077 0.000 1.072 206 R CB 0.188 30.426 30.300 -0.104 0.000 1.330 206 R HN 0.100 nan 8.270 nan 0.000 0.572 207 F N 0.801 120.735 119.950 -0.027 0.000 2.520 207 F HA 0.481 5.009 4.527 0.002 0.000 0.322 207 F C -1.408 173.996 175.800 -0.659 0.000 1.103 207 F CA -1.592 56.185 58.000 -0.371 0.000 0.926 207 F CB 1.323 40.020 39.000 -0.505 0.000 1.154 207 F HN -0.192 nan 8.300 nan 0.000 0.453 208 L N 5.199 125.243 121.223 -1.964 0.000 2.372 208 L HA 0.458 4.799 4.340 0.002 0.000 0.274 208 L C -0.545 175.135 176.870 -1.984 0.000 0.988 208 L CA -0.205 53.500 54.840 -1.892 0.000 0.833 208 L CB 1.538 42.325 42.059 -2.119 0.000 1.236 208 L HN 0.656 nan 8.230 nan 0.000 0.410 209 S N 3.139 117.948 115.700 -1.485 0.000 2.549 209 S HA 0.146 4.617 4.470 0.002 0.000 0.279 209 S C 0.995 175.217 174.600 -0.630 0.000 1.321 209 S CA 0.091 57.767 58.200 -0.874 0.000 1.054 209 S CB 0.396 63.408 63.200 -0.313 0.000 0.899 209 S HN 0.536 nan 8.310 nan 0.000 0.497 210 Y N 3.683 123.779 120.300 -0.341 0.000 2.181 210 Y HA -0.076 4.475 4.550 0.002 0.000 0.288 210 Y C 2.389 178.168 175.900 -0.202 0.000 1.146 210 Y CA 1.742 59.659 58.100 -0.305 0.000 1.164 210 Y CB -0.479 37.876 38.460 -0.175 0.000 0.982 210 Y HN 0.745 nan 8.280 nan 0.000 0.515 211 K N 0.478 120.892 120.400 0.024 0.000 2.074 211 K HA -0.245 4.076 4.320 0.002 0.000 0.209 211 K C 2.209 178.770 176.600 -0.065 0.000 1.048 211 K CA 1.571 57.857 56.287 -0.001 0.000 0.926 211 K CB -0.361 32.153 32.500 0.023 0.000 0.713 211 K HN 0.262 nan 8.250 nan 0.000 0.444 212 A N 1.212 123.955 122.820 -0.129 0.000 1.930 212 A HA -0.122 4.199 4.320 0.002 0.000 0.217 212 A C 2.157 179.639 177.584 -0.170 0.000 1.175 212 A CA 1.597 53.543 52.037 -0.151 0.000 0.627 212 A CB -0.419 18.454 19.000 -0.211 0.000 0.815 212 A HN 0.387 nan 8.150 nan 0.000 0.443 213 M N -0.596 118.881 119.600 -0.206 0.000 2.086 213 M HA -0.160 4.321 4.480 0.002 0.000 0.261 213 M C 2.108 178.304 176.300 -0.172 0.000 1.067 213 M CA 1.413 56.607 55.300 -0.177 0.000 1.116 213 M CB -0.568 31.929 32.600 -0.171 0.000 1.348 213 M HN 0.460 nan 8.290 nan 0.000 0.407 214 N N 0.636 119.255 118.700 -0.134 0.000 2.069 214 N HA -0.169 4.572 4.740 0.002 0.000 0.191 214 N C 1.110 176.433 175.510 -0.311 0.000 1.031 214 N CA 1.574 54.522 53.050 -0.171 0.000 0.852 214 N CB -0.287 38.172 38.487 -0.047 0.000 1.018 214 N HN 0.292 nan 8.380 nan 0.000 0.423 215 D N 0.176 120.476 120.400 -0.167 0.000 2.309 215 D HA -0.110 4.530 4.640 0.002 0.000 0.212 215 D C 0.073 176.367 176.300 -0.011 0.000 0.968 215 D CA 0.795 54.751 54.000 -0.072 0.000 0.882 215 D CB -0.263 40.524 40.800 -0.021 0.000 0.918 215 D HN 0.402 nan 8.370 nan 0.000 0.503 216 H N -1.453 117.622 119.070 0.009 0.000 2.903 216 H HA -0.128 4.429 4.556 0.002 0.000 0.285 216 H C 0.832 176.148 175.328 -0.020 0.000 1.231 216 H CA 1.248 57.299 56.048 0.004 0.000 1.135 216 H CB -2.429 27.348 29.762 0.024 0.000 1.328 216 H HN 0.332 nan 8.280 nan 0.000 0.388 217 T N -3.185 111.380 114.554 0.019 0.000 3.054 217 T HA 0.558 4.909 4.350 0.002 0.000 0.255 217 T C 1.164 175.826 174.700 -0.063 0.000 1.035 217 T CA 0.298 62.393 62.100 -0.009 0.000 0.941 217 T CB 0.555 69.414 68.868 -0.015 0.000 1.026 217 T HN 0.617 nan 8.240 nan 0.000 0.533 218 A N 1.238 123.993 122.820 -0.107 0.000 2.565 218 A HA 0.528 4.849 4.320 0.002 0.000 0.237 218 A C 1.808 179.312 177.584 -0.134 0.000 1.053 218 A CA 0.246 52.172 52.037 -0.184 0.000 0.755 218 A CB -0.403 18.452 19.000 -0.241 0.000 0.980 218 A HN 0.425 nan 8.150 nan 0.000 0.506 219 G N 2.530 111.240 108.800 -0.150 0.000 2.491 219 G HA2 -0.125 3.836 3.960 0.002 0.000 0.218 219 G HA3 -0.125 3.836 3.960 0.002 0.000 0.218 219 G C 1.547 176.406 174.900 -0.068 0.000 1.180 219 G CA 1.301 46.348 45.100 -0.087 0.000 0.774 219 G HN 1.391 nan 8.290 nan 0.000 0.562 220 G N 0.794 109.540 108.800 -0.090 0.000 2.517 220 G HA2 -0.208 3.753 3.960 0.002 0.000 0.222 220 G HA3 -0.208 3.753 3.960 0.002 0.000 0.222 220 G C 1.733 176.588 174.900 -0.074 0.000 1.109 220 G CA 0.821 45.874 45.100 -0.078 0.000 0.746 220 G HN 0.459 nan 8.290 nan 0.000 0.576 221 L N 0.372 121.558 121.223 -0.062 0.000 2.265 221 L HA -0.056 4.285 4.340 0.002 0.000 0.215 221 L C 3.280 180.148 176.870 -0.003 0.000 1.117 221 L CA 0.649 55.482 54.840 -0.013 0.000 0.782 221 L CB -0.312 41.759 42.059 0.020 0.000 0.914 221 L HN 0.323 nan 8.230 nan 0.000 0.441 222 A N 0.109 122.920 122.820 -0.015 0.000 1.969 222 A HA -0.171 4.150 4.320 0.002 0.000 0.218 222 A C 2.323 179.900 177.584 -0.011 0.000 1.169 222 A CA 2.183 54.214 52.037 -0.010 0.000 0.635 222 A CB -0.551 18.441 19.000 -0.013 0.000 0.810 222 A HN 0.500 nan 8.150 nan 0.000 0.445 223 T N -3.761 110.784 114.554 -0.015 0.000 2.990 223 T HA 0.137 4.488 4.350 0.002 0.000 0.249 223 T C 0.262 174.950 174.700 -0.019 0.000 1.039 223 T CA -0.115 61.970 62.100 -0.024 0.000 1.036 223 T CB -0.034 68.815 68.868 -0.031 0.000 0.994 223 T HN 0.232 nan 8.240 nan 0.000 0.489 224 N N 2.678 121.372 118.700 -0.010 0.000 2.707 224 N HA 0.303 5.044 4.740 0.002 0.000 0.235 224 N C 0.504 176.101 175.510 0.145 0.000 1.028 224 N CA -0.046 53.023 53.050 0.033 0.000 0.906 224 N CB 1.601 39.995 38.487 -0.155 0.000 1.131 224 N HN 0.460 nan 8.380 nan 0.000 0.509 225 S N -0.451 115.332 115.700 0.138 0.000 2.548 225 S HA 0.185 4.656 4.470 0.002 0.000 0.215 225 S C 0.995 175.681 174.600 0.145 0.000 0.976 225 S CA -0.550 57.721 58.200 0.117 0.000 0.908 225 S CB 0.201 63.434 63.200 0.056 0.000 0.781 225 S HN 0.502 nan 8.310 nan 0.000 0.519 226 A N 3.041 125.986 122.820 0.209 0.000 2.520 226 A HA 0.432 4.753 4.320 0.002 0.000 0.235 226 A C -0.949 176.675 177.584 0.067 0.000 1.065 226 A CA -1.094 51.007 52.037 0.107 0.000 0.764 226 A CB -0.137 18.901 19.000 0.064 0.000 1.002 226 A HN 0.261 nan 8.150 nan 0.000 0.502 227 P HA -0.143 nan 4.420 nan 0.000 0.218 227 P C 1.532 178.921 177.300 0.149 0.000 1.148 227 P CA 1.008 64.128 63.100 0.033 0.000 0.822 227 P CB -0.021 31.600 31.700 -0.132 0.000 0.784 228 V N -1.174 118.835 119.914 0.158 0.000 2.546 228 V HA -0.248 3.873 4.120 0.002 0.000 0.254 228 V C 1.499 177.735 176.094 0.238 0.000 1.076 228 V CA 1.846 64.223 62.300 0.128 0.000 1.087 228 V CB -1.205 30.513 31.823 -0.176 0.000 0.674 228 V HN 0.066 nan 8.190 nan 0.000 0.470 229 Y N -0.268 120.259 120.300 0.379 0.000 2.529 229 Y HA 0.178 4.729 4.550 0.001 0.000 0.290 229 Y C 2.082 178.153 175.900 0.284 0.000 1.177 229 Y CA 0.320 58.581 58.100 0.269 0.000 1.305 229 Y CB -0.356 38.104 38.460 0.001 0.000 1.047 229 Y HN 0.229 nan 8.280 nan 0.000 0.522 230 K N -0.521 120.117 120.400 0.397 0.000 2.404 230 K HA 0.109 4.430 4.320 0.002 0.000 0.194 230 K C 0.391 177.242 176.600 0.418 0.000 1.023 230 K CA 0.043 56.555 56.287 0.375 0.000 1.094 230 K CB 0.133 32.764 32.500 0.219 0.000 0.841 230 K HN 0.066 nan 8.250 nan 0.000 0.523 231 M N 2.194 122.082 119.600 0.480 0.000 2.248 231 M HA 0.085 4.566 4.480 0.002 0.000 0.345 231 M C -2.194 174.350 176.300 0.406 0.000 1.243 231 M CA -2.221 53.297 55.300 0.364 0.000 1.090 231 M CB -0.159 32.579 32.600 0.231 0.000 1.683 231 M HN -0.176 nan 8.290 nan 0.000 0.450 232 P HA -0.084 nan 4.420 nan 0.000 0.268 232 P C 0.701 178.127 177.300 0.211 0.000 1.204 232 P CA 0.061 63.284 63.100 0.205 0.000 0.768 232 P CB 0.362 32.107 31.700 0.075 0.000 0.842 233 W N 4.031 125.400 121.300 0.114 0.000 2.338 233 W HA -0.154 4.507 4.660 0.001 0.000 0.304 233 W C 1.579 178.059 176.519 -0.065 0.000 1.212 233 W CA 1.873 59.248 57.345 0.051 0.000 1.264 233 W CB -0.585 28.890 29.460 0.025 0.000 1.142 233 W HN 0.498 nan 8.180 nan 0.000 0.512 234 G N -0.444 108.316 108.800 -0.067 0.000 2.625 234 G HA2 -0.135 3.826 3.960 0.002 0.000 0.214 234 G HA3 -0.135 3.826 3.960 0.002 0.000 0.214 234 G C 1.205 175.943 174.900 -0.270 0.000 1.132 234 G CA 1.350 46.326 45.100 -0.208 0.000 0.782 234 G HN 0.286 nan 8.290 nan 0.000 0.538 235 T N -0.100 114.301 114.554 -0.255 0.000 3.071 235 T HA 0.101 4.452 4.350 0.002 0.000 0.239 235 T C 2.237 176.714 174.700 -0.371 0.000 0.997 235 T CA 0.381 62.307 62.100 -0.290 0.000 1.134 235 T CB 0.019 68.762 68.868 -0.208 0.000 0.928 235 T HN 0.105 nan 8.240 nan 0.000 0.453 236 M N 1.149 120.513 119.600 -0.393 0.000 2.065 236 M HA -0.086 4.395 4.480 0.002 0.000 0.259 236 M C 2.066 178.087 176.300 -0.464 0.000 1.069 236 M CA 1.771 56.800 55.300 -0.450 0.000 1.110 236 M CB -0.447 31.612 32.600 -0.902 0.000 1.328 236 M HN 0.339 nan 8.290 nan 0.000 0.405 237 H N -0.574 117.973 119.070 -0.872 0.000 2.321 237 H HA -0.022 4.535 4.556 0.002 0.000 0.300 237 H C -1.097 173.875 175.328 -0.593 0.000 1.087 237 H CA 1.943 57.434 56.048 -0.927 0.000 1.319 237 H CB -1.474 27.228 29.762 -1.766 0.000 1.379 237 H HN 0.214 nan 8.280 nan 0.000 0.501 238 P HA -0.074 nan 4.420 nan 0.000 0.216 238 P C 1.503 178.462 177.300 -0.568 0.000 1.153 238 P CA 2.144 64.838 63.100 -0.677 0.000 0.844 238 P CB -0.046 31.365 31.700 -0.481 0.000 0.787 239 T N -0.940 113.274 114.554 -0.567 0.000 2.720 239 T HA -0.210 4.141 4.350 0.002 0.000 0.268 239 T C 1.910 176.216 174.700 -0.657 0.000 1.037 239 T CA 2.187 63.862 62.100 -0.708 0.000 1.144 239 T CB -1.366 66.879 68.868 -1.038 0.000 0.864 239 T HN 0.282 nan 8.240 nan 0.000 0.444 240 T N 1.488 115.818 114.554 -0.373 0.000 2.778 240 T HA -0.131 4.220 4.350 0.002 0.000 0.269 240 T C 1.825 176.372 174.700 -0.256 0.000 1.050 240 T CA 0.851 62.939 62.100 -0.021 0.000 1.137 240 T CB -0.412 68.523 68.868 0.112 0.000 0.860 240 T HN 0.170 nan 8.240 nan 0.000 0.468 241 I N 1.131 121.429 120.570 -0.453 0.000 2.406 241 I HA 0.036 4.207 4.170 0.002 0.000 0.249 241 I C 2.741 178.732 176.117 -0.210 0.000 1.122 241 I CA 0.880 61.884 61.300 -0.493 0.000 1.431 241 I CB -1.330 36.287 38.000 -0.639 0.000 1.087 241 I HN 0.312 nan 8.210 nan 0.000 0.424 242 S N 0.837 116.401 115.700 -0.227 0.000 2.388 242 S HA 0.078 4.549 4.470 0.002 0.000 0.223 242 S C 2.264 176.856 174.600 -0.013 0.000 1.034 242 S CA 0.852 58.982 58.200 -0.115 0.000 0.963 242 S CB -0.117 62.974 63.200 -0.182 0.000 0.827 242 S HN 0.461 nan 8.310 nan 0.000 0.481 243 A N 2.762 125.551 122.820 -0.051 0.000 1.869 243 A HA -0.111 4.210 4.320 0.002 0.000 0.218 243 A C -0.166 177.540 177.584 0.202 0.000 1.203 243 A CA 1.900 54.038 52.037 0.168 0.000 0.638 243 A CB -1.993 17.113 19.000 0.177 0.000 0.831 243 A HN 0.384 nan 8.150 nan 0.000 0.450 244 P HA -0.127 nan 4.420 nan 0.000 0.215 244 P C 1.430 178.856 177.300 0.210 0.000 1.153 244 P CA 1.013 64.223 63.100 0.183 0.000 0.853 244 P CB -0.190 31.657 31.700 0.244 0.000 0.788 245 I N -1.059 119.645 120.570 0.224 0.000 2.208 245 I HA -0.215 3.956 4.170 0.002 0.000 0.245 245 I C 2.155 178.348 176.117 0.127 0.000 1.097 245 I CA 1.448 62.856 61.300 0.180 0.000 1.363 245 I CB -0.851 37.239 38.000 0.149 0.000 1.051 245 I HN -0.162 nan 8.210 nan 0.000 0.413 246 V N 1.221 121.224 119.914 0.149 0.000 2.407 246 V HA -0.218 3.903 4.120 0.002 0.000 0.248 246 V C 2.655 178.855 176.094 0.177 0.000 1.055 246 V CA 2.109 64.513 62.300 0.174 0.000 1.049 246 V CB -1.512 30.515 31.823 0.340 0.000 0.662 246 V HN 0.582 nan 8.190 nan 0.000 0.455 247 G N -0.377 108.488 108.800 0.109 0.000 2.440 247 G HA2 -0.301 3.660 3.960 0.002 0.000 0.218 247 G HA3 -0.301 3.660 3.960 0.002 0.000 0.218 247 G C 1.616 176.530 174.900 0.023 0.000 1.154 247 G CA 1.267 46.384 45.100 0.029 0.000 0.767 247 G HN 0.461 nan 8.290 nan 0.000 0.552 248 M N 0.752 120.386 119.600 0.056 0.000 2.159 248 M HA 0.042 4.523 4.480 0.002 0.000 0.263 248 M C 2.995 179.186 176.300 -0.181 0.000 1.063 248 M CA 1.273 56.576 55.300 0.004 0.000 1.110 248 M CB -0.154 32.567 32.600 0.202 0.000 1.374 248 M HN 0.304 nan 8.290 nan 0.000 0.411 249 A N -0.577 122.204 122.820 -0.064 0.000 1.930 249 A HA -0.162 4.159 4.320 0.002 0.000 0.217 249 A C 1.825 179.299 177.584 -0.183 0.000 1.175 249 A CA 1.328 53.302 52.037 -0.105 0.000 0.627 249 A CB -0.953 17.986 19.000 -0.102 0.000 0.815 249 A HN 0.472 nan 8.150 nan 0.000 0.443 250 Y N 0.133 120.319 120.300 -0.190 0.000 2.242 250 Y HA -0.078 4.473 4.550 0.002 0.000 0.291 250 Y C 2.731 178.499 175.900 -0.220 0.000 1.137 250 Y CA 1.103 59.093 58.100 -0.183 0.000 1.181 250 Y CB -0.560 37.760 38.460 -0.234 0.000 0.989 250 Y HN 0.355 nan 8.280 nan 0.000 0.527 251 G N -0.566 108.020 108.800 -0.357 0.000 2.433 251 G HA2 -0.254 3.707 3.960 0.002 0.000 0.216 251 G HA3 -0.254 3.707 3.960 0.002 0.000 0.216 251 G C 1.921 176.401 174.900 -0.700 0.000 1.186 251 G CA 0.969 45.600 45.100 -0.780 0.000 0.779 251 G HN 0.459 nan 8.290 nan 0.000 0.543 252 A N 0.073 122.463 122.820 -0.717 0.000 1.883 252 A HA -0.098 4.223 4.320 0.002 0.000 0.217 252 A C 2.200 179.820 177.584 0.061 0.000 1.186 252 A CA 1.850 53.831 52.037 -0.092 0.000 0.624 252 A CB -0.855 18.183 19.000 0.063 0.000 0.822 252 A HN 0.492 nan 8.150 nan 0.000 0.444 253 Y N 0.659 120.911 120.300 -0.079 0.000 2.069 253 Y HA -0.255 4.296 4.550 0.002 0.000 0.278 253 Y C 2.669 178.595 175.900 0.043 0.000 1.175 253 Y CA 1.979 60.071 58.100 -0.014 0.000 1.134 253 Y CB -0.556 37.841 38.460 -0.106 0.000 0.965 253 Y HN 0.310 nan 8.280 nan 0.000 0.498 254 A N 0.114 122.984 122.820 0.084 0.000 1.930 254 A HA -0.031 4.290 4.320 0.002 0.000 0.217 254 A C 2.392 179.982 177.584 0.009 0.000 1.175 254 A CA 1.594 53.644 52.037 0.021 0.000 0.627 254 A CB -1.435 17.622 19.000 0.096 0.000 0.815 254 A HN 0.633 nan 8.150 nan 0.000 0.443 255 A N -0.552 122.317 122.820 0.082 0.000 1.858 255 A HA -0.191 4.130 4.320 0.002 0.000 0.216 255 A C 2.060 179.707 177.584 0.106 0.000 1.190 255 A CA 2.177 54.294 52.037 0.134 0.000 0.617 255 A CB -0.947 18.203 19.000 0.250 0.000 0.827 255 A HN 0.755 nan 8.150 nan 0.000 0.443 256 H N -0.305 118.768 119.070 0.005 0.000 2.293 256 H HA -0.083 4.474 4.556 0.002 0.000 0.300 256 H C 1.855 177.145 175.328 -0.062 0.000 1.082 256 H CA 2.078 58.123 56.048 -0.005 0.000 1.308 256 H CB -0.468 29.271 29.762 -0.039 0.000 1.375 256 H HN 0.087 nan 8.280 nan 0.000 0.495 257 V N 0.901 120.593 119.914 -0.370 0.000 2.324 257 V HA -0.265 3.856 4.120 0.002 0.000 0.250 257 V C 2.166 178.098 176.094 -0.270 0.000 1.060 257 V CA 2.420 64.464 62.300 -0.427 0.000 1.042 257 V CB -0.468 31.080 31.823 -0.458 0.000 0.650 257 V HN 0.549 nan 8.190 nan 0.000 0.450 258 E N -1.101 119.010 120.200 -0.148 0.000 2.208 258 E HA -0.207 4.144 4.350 0.002 0.000 0.193 258 E C 2.074 178.639 176.600 -0.058 0.000 0.988 258 E CA 1.173 57.525 56.400 -0.080 0.000 0.828 258 E CB -0.143 29.544 29.700 -0.021 0.000 0.763 258 E HN 0.812 nan 8.360 nan 0.000 0.478 259 H N 0.724 119.708 119.070 -0.143 0.000 2.317 259 H HA -0.064 4.493 4.556 0.002 0.000 0.304 259 H C 2.136 177.368 175.328 -0.161 0.000 1.067 259 H CA 1.771 57.750 56.048 -0.116 0.000 1.352 259 H CB 0.076 29.796 29.762 -0.070 0.000 1.398 259 H HN -0.073 nan 8.280 nan 0.000 0.510 260 Q N 0.387 119.916 119.800 -0.452 0.000 2.124 260 Q HA -0.025 4.316 4.340 0.002 0.000 0.202 260 Q C 2.540 178.338 176.000 -0.336 0.000 0.977 260 Q CA 1.759 57.271 55.803 -0.485 0.000 0.850 260 Q CB -0.966 27.424 28.738 -0.580 0.000 0.901 260 Q HN 0.640 nan 8.270 nan 0.000 0.429 261 G N 0.341 108.974 108.800 -0.279 0.000 2.475 261 G HA2 -0.328 3.633 3.960 0.002 0.000 0.220 261 G HA3 -0.328 3.633 3.960 0.002 0.000 0.220 261 G C 1.271 176.070 174.900 -0.168 0.000 1.125 261 G CA 1.155 46.136 45.100 -0.199 0.000 0.755 261 G HN 0.382 nan 8.290 nan 0.000 0.565 262 K N -0.358 119.933 120.400 -0.182 0.000 2.001 262 K HA 0.015 4.336 4.320 0.002 0.000 0.208 262 K C 2.606 179.129 176.600 -0.127 0.000 1.048 262 K CA 0.763 56.968 56.287 -0.137 0.000 0.932 262 K CB -0.208 32.215 32.500 -0.127 0.000 0.715 262 K HN 0.063 nan 8.250 nan 0.000 0.437 263 R N 1.160 121.555 120.500 -0.175 0.000 2.096 263 R HA -0.119 4.222 4.340 0.002 0.000 0.235 263 R C 1.956 178.213 176.300 -0.072 0.000 1.127 263 R CA 1.322 57.348 56.100 -0.122 0.000 0.968 263 R CB -0.181 30.030 30.300 -0.149 0.000 0.861 263 R HN 0.060 nan 8.270 nan 0.000 0.440 264 V N 0.507 120.368 119.914 -0.088 0.000 2.407 264 V HA -0.118 4.003 4.120 0.002 0.000 0.245 264 V C 2.455 178.535 176.094 -0.023 0.000 1.041 264 V CA 1.462 63.734 62.300 -0.047 0.000 1.040 264 V CB -0.456 31.320 31.823 -0.079 0.000 0.671 264 V HN 0.323 nan 8.190 nan 0.000 0.455 265 R N 0.323 120.781 120.500 -0.070 0.000 2.096 265 R HA -0.091 4.250 4.340 0.002 0.000 0.235 265 R C 2.407 178.737 176.300 0.050 0.000 1.127 265 R CA 1.419 57.491 56.100 -0.047 0.000 0.968 265 R CB -0.535 29.716 30.300 -0.081 0.000 0.861 265 R HN 0.522 nan 8.270 nan 0.000 0.440 266 A N 0.969 123.799 122.820 0.017 0.000 1.972 266 A HA -0.041 4.280 4.320 0.002 0.000 0.219 266 A C 1.990 179.605 177.584 0.052 0.000 1.169 266 A CA 1.594 53.647 52.037 0.026 0.000 0.635 266 A CB -0.257 18.741 19.000 -0.005 0.000 0.810 266 A HN 0.363 nan 8.150 nan 0.000 0.446 267 A N -2.368 120.493 122.820 0.068 0.000 2.370 267 A HA 0.433 4.754 4.320 0.002 0.000 0.238 267 A C 1.077 178.741 177.584 0.133 0.000 1.289 267 A CA -0.206 51.875 52.037 0.073 0.000 0.885 267 A CB -0.734 18.297 19.000 0.051 0.000 0.961 267 A HN 0.522 nan 8.150 nan 0.000 0.499 268 F N -0.908 119.031 119.950 -0.019 0.000 2.732 268 F HA 0.399 4.927 4.527 0.002 0.000 0.303 268 F C 1.408 177.201 175.800 -0.012 0.000 1.110 268 F CA 0.815 58.806 58.000 -0.015 0.000 1.355 268 F CB 0.447 39.437 39.000 -0.017 0.000 1.081 268 F HN 0.332 nan 8.300 nan 0.000 0.565 269 A N -0.913 121.876 122.820 -0.052 0.000 2.018 269 A HA 0.544 4.865 4.320 0.002 0.000 0.165 269 A C 0.738 178.291 177.584 -0.053 0.000 1.969 269 A CA 0.442 52.416 52.037 -0.105 0.000 1.528 269 A CB -0.422 18.536 19.000 -0.070 0.000 1.630 269 A HN 0.668 nan 8.150 nan 0.000 0.325 274 K N 1.289 121.693 120.400 0.006 0.000 2.211 274 K HA 0.355 4.676 4.320 0.002 0.000 0.275 274 K C -0.777 175.846 176.600 0.040 0.000 1.024 274 K CA -0.345 55.950 56.287 0.013 0.000 0.887 274 K CB 1.740 34.247 32.500 0.012 0.000 1.084 274 K HN 0.754 nan 8.250 nan 0.000 0.463 275 D N 1.262 121.684 120.400 0.037 0.000 2.345 275 D HA 0.048 4.689 4.640 0.002 0.000 0.247 275 D C -0.760 175.589 176.300 0.082 0.000 1.108 275 D CA 0.146 54.190 54.000 0.073 0.000 0.894 275 D CB 0.791 41.625 40.800 0.058 0.000 1.203 275 D HN 0.248 nan 8.370 nan 0.000 0.430 276 D N 3.206 123.671 120.400 0.107 0.000 2.513 276 D HA 0.254 4.895 4.640 0.002 0.000 0.295 276 D C -1.987 174.385 176.300 0.120 0.000 1.202 276 D CA -1.692 52.372 54.000 0.107 0.000 0.849 276 D CB 1.289 42.140 40.800 0.084 0.000 1.116 276 D HN 0.142 nan 8.370 nan 0.000 0.502 277 P HA -0.043 nan 4.420 nan 0.000 0.217 277 P C 1.520 178.890 177.300 0.117 0.000 1.151 277 P CA 0.409 63.574 63.100 0.109 0.000 0.828 277 P CB 0.229 31.994 31.700 0.108 0.000 0.788 278 F N 0.811 120.775 119.950 0.022 0.000 2.120 278 F HA -0.222 4.306 4.527 0.002 0.000 0.300 278 F C 2.359 178.175 175.800 0.027 0.000 1.095 278 F CA 1.768 59.781 58.000 0.021 0.000 1.249 278 F CB -0.873 38.136 39.000 0.015 0.000 0.995 278 F HN -0.124 nan 8.300 nan 0.000 0.480 279 A N -0.602 122.343 122.820 0.209 0.000 1.969 279 A HA -0.182 4.139 4.320 0.002 0.000 0.218 279 A C 2.109 179.739 177.584 0.076 0.000 1.169 279 A CA 1.707 53.830 52.037 0.144 0.000 0.635 279 A CB -0.468 18.595 19.000 0.104 0.000 0.810 279 A HN 0.417 nan 8.150 nan 0.000 0.445 280 K N -0.665 119.760 120.400 0.042 0.000 2.186 280 K HA 0.091 4.412 4.320 0.002 0.000 0.202 280 K C 1.698 178.295 176.600 -0.004 0.000 1.052 280 K CA 0.889 57.185 56.287 0.016 0.000 0.965 280 K CB -0.153 32.353 32.500 0.010 0.000 0.746 280 K HN 0.229 nan 8.250 nan 0.000 0.457 281 V N 1.765 121.649 119.914 -0.050 0.000 2.332 281 V HA -0.262 3.859 4.120 0.002 0.000 0.248 281 V C 2.415 178.454 176.094 -0.091 0.000 1.055 281 V CA 1.819 64.055 62.300 -0.105 0.000 1.038 281 V CB -0.455 31.225 31.823 -0.238 0.000 0.651 281 V HN 0.307 nan 8.190 nan 0.000 0.450 282 R N -0.347 120.104 120.500 -0.083 0.000 2.092 282 R HA -0.062 4.279 4.340 0.002 0.000 0.231 282 R C 2.244 178.564 176.300 0.034 0.000 1.119 282 R CA 1.527 57.601 56.100 -0.043 0.000 0.970 282 R CB -0.201 30.098 30.300 -0.001 0.000 0.864 282 R HN 0.458 nan 8.270 nan 0.000 0.440 283 I N 0.549 121.166 120.570 0.078 0.000 2.406 283 I HA -0.147 4.023 4.170 0.002 0.000 0.249 283 I C 2.417 178.642 176.117 0.181 0.000 1.122 283 I CA 0.983 62.378 61.300 0.158 0.000 1.431 283 I CB -0.137 37.926 38.000 0.106 0.000 1.087 283 I HN 0.266 nan 8.210 nan 0.000 0.424 284 A N 0.370 123.240 122.820 0.084 0.000 1.902 284 A HA -0.237 4.084 4.320 0.002 0.000 0.217 284 A C 2.188 179.784 177.584 0.020 0.000 1.181 284 A CA 1.730 53.796 52.037 0.049 0.000 0.623 284 A CB -0.565 18.443 19.000 0.013 0.000 0.818 284 A HN 0.428 nan 8.150 nan 0.000 0.443 285 E N -0.334 119.869 120.200 0.005 0.000 2.047 285 E HA -0.105 4.246 4.350 0.002 0.000 0.191 285 E C 2.397 178.989 176.600 -0.013 0.000 0.987 285 E CA 0.917 57.308 56.400 -0.015 0.000 0.799 285 E CB -0.308 29.373 29.700 -0.032 0.000 0.752 285 E HN 0.606 nan 8.360 nan 0.000 0.449 286 A N 1.724 124.557 122.820 0.022 0.000 1.877 286 A HA -0.154 4.167 4.320 0.002 0.000 0.216 286 A C 2.441 179.972 177.584 -0.088 0.000 1.186 286 A CA 1.872 53.919 52.037 0.016 0.000 0.620 286 A CB -0.767 18.300 19.000 0.113 0.000 0.822 286 A HN 0.296 nan 8.150 nan 0.000 0.443 287 A N -0.745 122.012 122.820 -0.105 0.000 1.908 287 A HA -0.146 4.175 4.320 0.002 0.000 0.218 287 A C 2.519 179.956 177.584 -0.245 0.000 1.181 287 A CA 2.395 54.194 52.037 -0.396 0.000 0.627 287 A CB -0.970 17.829 19.000 -0.334 0.000 0.818 287 A HN 0.662 nan 8.150 nan 0.000 0.445 288 S N -0.384 115.243 115.700 -0.121 0.000 2.383 288 S HA -0.157 4.314 4.470 0.002 0.000 0.227 288 S C 1.569 176.120 174.600 -0.082 0.000 1.026 288 S CA 1.583 59.733 58.200 -0.083 0.000 0.981 288 S CB -0.481 62.690 63.200 -0.049 0.000 0.818 288 S HN 0.560 nan 8.310 nan 0.000 0.472 289 D N 1.219 121.568 120.400 -0.084 0.000 2.149 289 D HA 0.030 4.671 4.640 0.002 0.000 0.201 289 D C 1.867 178.111 176.300 -0.094 0.000 0.972 289 D CA 0.949 54.907 54.000 -0.071 0.000 0.835 289 D CB -0.357 40.413 40.800 -0.051 0.000 0.966 289 D HN 0.472 nan 8.370 nan 0.000 0.476 290 I N 0.848 121.312 120.570 -0.176 0.000 2.252 290 I HA -0.236 3.935 4.170 0.002 0.000 0.245 290 I C 2.106 178.135 176.117 -0.146 0.000 1.102 290 I CA 1.124 62.273 61.300 -0.253 0.000 1.385 290 I CB -0.167 37.495 38.000 -0.562 0.000 1.064 290 I HN -0.114 nan 8.210 nan 0.000 0.414 291 D N 0.991 121.309 120.400 -0.137 0.000 2.149 291 D HA -0.212 4.429 4.640 0.002 0.000 0.198 291 D C 2.134 178.479 176.300 0.076 0.000 0.990 291 D CA 1.542 55.556 54.000 0.024 0.000 0.839 291 D CB 0.109 40.900 40.800 -0.015 0.000 0.948 291 D HN 0.336 nan 8.370 nan 0.000 0.460 292 A N 0.231 123.057 122.820 0.010 0.000 1.929 292 A HA 0.169 4.490 4.320 0.002 0.000 0.216 292 A C 2.366 179.954 177.584 0.007 0.000 1.176 292 A CA 1.662 53.699 52.037 0.000 0.000 0.628 292 A CB -0.966 18.017 19.000 -0.027 0.000 0.816 292 A HN 0.314 nan 8.150 nan 0.000 0.444 293 A N -1.128 121.706 122.820 0.022 0.000 1.883 293 A HA -0.223 4.098 4.320 0.002 0.000 0.217 293 A C 2.153 179.792 177.584 0.091 0.000 1.186 293 A CA 1.462 53.520 52.037 0.035 0.000 0.624 293 A CB -0.907 18.123 19.000 0.049 0.000 0.822 293 A HN 0.845 nan 8.150 nan 0.000 0.444 294 W N 0.492 121.786 121.300 -0.010 0.000 2.407 294 W HA -0.126 4.535 4.660 0.001 0.000 0.305 294 W C 2.386 178.892 176.519 -0.022 0.000 1.196 294 W CA 1.433 58.787 57.345 0.015 0.000 1.311 294 W CB -0.230 29.301 29.460 0.117 0.000 1.135 294 W HN 0.340 nan 8.180 nan 0.000 0.514 295 R N 0.210 120.726 120.500 0.027 0.000 2.094 295 R HA -0.277 4.064 4.340 0.002 0.000 0.239 295 R C 2.408 178.596 176.300 -0.187 0.000 1.137 295 R CA 2.792 58.845 56.100 -0.079 0.000 0.943 295 R CB -0.843 29.448 30.300 -0.016 0.000 0.850 295 R HN 0.426 nan 8.270 nan 0.000 0.433 296 Q N 0.149 119.851 119.800 -0.163 0.000 2.212 296 Q HA -0.076 4.265 4.340 0.002 0.000 0.199 296 Q C 2.083 177.924 176.000 -0.266 0.000 0.950 296 Q CA 0.768 56.458 55.803 -0.188 0.000 0.863 296 Q CB -0.241 28.408 28.738 -0.149 0.000 0.944 296 Q HN 0.225 nan 8.270 nan 0.000 0.465 297 L N 0.850 121.878 121.223 -0.324 0.000 2.017 297 L HA -0.108 4.233 4.340 0.002 0.000 0.208 297 L C 2.116 178.653 176.870 -0.555 0.000 1.073 297 L CA 1.471 56.057 54.840 -0.424 0.000 0.745 297 L CB -0.346 41.459 42.059 -0.424 0.000 0.894 297 L HN 0.277 nan 8.230 nan 0.000 0.432 298 I N -0.811 119.314 120.570 -0.742 0.000 2.852 298 I HA 0.064 4.235 4.170 0.002 0.000 0.264 298 I C 2.203 178.100 176.117 -0.366 0.000 1.179 298 I CA 1.042 61.930 61.300 -0.686 0.000 1.480 298 I CB -0.486 36.891 38.000 -1.039 0.000 1.111 298 I HN 0.242 nan 8.210 nan 0.000 0.441 299 G N 0.125 108.741 108.800 -0.308 0.000 2.418 299 G HA2 -0.280 3.681 3.960 0.002 0.000 0.217 299 G HA3 -0.280 3.681 3.960 0.002 0.000 0.217 299 G C 1.464 176.273 174.900 -0.152 0.000 1.158 299 G CA 1.074 46.064 45.100 -0.183 0.000 0.771 299 G HN 0.459 nan 8.290 nan 0.000 0.545 300 N N -0.148 118.441 118.700 -0.184 0.000 2.166 300 N HA -0.089 4.652 4.740 0.002 0.000 0.186 300 N C 2.131 177.560 175.510 -0.135 0.000 1.019 300 N CA 0.911 53.865 53.050 -0.159 0.000 0.856 300 N CB -0.070 38.301 38.487 -0.193 0.000 0.993 300 N HN 0.162 nan 8.380 nan 0.000 0.426 301 V N 0.266 120.082 119.914 -0.164 0.000 2.358 301 V HA -0.187 3.934 4.120 0.002 0.000 0.246 301 V C 2.101 178.182 176.094 -0.023 0.000 1.047 301 V CA 1.549 63.790 62.300 -0.099 0.000 1.035 301 V CB -0.332 31.431 31.823 -0.101 0.000 0.658 301 V HN 0.285 nan 8.190 nan 0.000 0.452 302 S N -0.270 115.405 115.700 -0.042 0.000 2.368 302 S HA -0.176 4.295 4.470 0.002 0.000 0.224 302 S C 1.695 176.320 174.600 0.041 0.000 1.029 302 S CA 1.397 59.610 58.200 0.020 0.000 0.988 302 S CB -0.330 62.862 63.200 -0.013 0.000 0.838 302 S HN 0.617 nan 8.310 nan 0.000 0.462 303 D N 1.348 121.743 120.400 -0.008 0.000 2.117 303 D HA -0.066 4.575 4.640 0.002 0.000 0.198 303 D C 1.991 178.294 176.300 0.006 0.000 0.982 303 D CA 0.931 54.925 54.000 -0.010 0.000 0.828 303 D CB -0.281 40.498 40.800 -0.035 0.000 0.967 303 D HN 0.486 nan 8.370 nan 0.000 0.464 304 E N -0.489 119.718 120.200 0.012 0.000 2.031 304 E HA -0.201 4.150 4.350 0.002 0.000 0.193 304 E C 1.980 178.629 176.600 0.082 0.000 0.994 304 E CA 0.705 57.125 56.400 0.033 0.000 0.800 304 E CB -0.213 29.500 29.700 0.023 0.000 0.752 304 E HN 0.299 nan 8.360 nan 0.000 0.447 305 Y N 1.120 121.406 120.300 -0.023 0.000 2.224 305 Y HA -0.210 4.341 4.550 0.001 0.000 0.289 305 Y C 2.144 178.035 175.900 -0.014 0.000 1.146 305 Y CA 1.245 59.336 58.100 -0.016 0.000 1.182 305 Y CB -0.393 38.052 38.460 -0.024 0.000 0.983 305 Y HN 0.008 nan 8.280 nan 0.000 0.524 306 A N 0.020 122.841 122.820 0.002 0.000 1.933 306 A HA -0.169 4.152 4.320 0.002 0.000 0.218 306 A C 2.302 179.819 177.584 -0.111 0.000 1.175 306 A CA 1.817 53.809 52.037 -0.075 0.000 0.628 306 A CB -1.084 17.910 19.000 -0.010 0.000 0.814 306 A HN 0.541 nan 8.150 nan 0.000 0.444 307 L N -0.618 120.563 121.223 -0.069 0.000 2.017 307 L HA -0.183 4.158 4.340 0.002 0.000 0.208 307 L C 2.567 179.380 176.870 -0.094 0.000 1.073 307 L CA 1.229 56.033 54.840 -0.061 0.000 0.745 307 L CB -0.553 41.491 42.059 -0.024 0.000 0.894 307 L HN 0.383 nan 8.230 nan 0.000 0.432 308 L N -0.410 120.743 121.223 -0.118 0.000 2.083 308 L HA -0.161 4.180 4.340 0.002 0.000 0.209 308 L C 2.671 179.415 176.870 -0.210 0.000 1.083 308 L CA 1.085 55.847 54.840 -0.130 0.000 0.752 308 L CB -0.823 41.187 42.059 -0.083 0.000 0.899 308 L HN 0.237 nan 8.230 nan 0.000 0.433 309 A N -0.204 122.398 122.820 -0.364 0.000 2.209 309 A HA 0.182 4.503 4.320 0.002 0.000 0.212 309 A C 1.919 179.390 177.584 -0.189 0.000 1.158 309 A CA 1.224 53.047 52.037 -0.355 0.000 0.742 309 A CB -0.377 18.301 19.000 -0.537 0.000 0.790 309 A HN 0.384 nan 8.150 nan 0.000 0.472 310 A N -2.068 120.665 122.820 -0.145 0.000 2.564 310 A HA 0.484 4.805 4.320 0.002 0.000 0.279 310 A C 1.505 179.047 177.584 -0.070 0.000 1.232 310 A CA 0.828 52.811 52.037 -0.090 0.000 0.950 310 A CB -0.669 18.287 19.000 -0.074 0.000 1.138 310 A HN 1.685 nan 8.150 nan 0.000 0.526 311 G N 0.140 108.893 108.800 -0.078 0.000 2.168 311 G HA2 -0.287 3.674 3.960 0.002 0.000 0.263 311 G HA3 -0.287 3.674 3.960 0.002 0.000 0.263 311 G C 0.316 175.186 174.900 -0.050 0.000 0.977 311 G CA 0.847 45.911 45.100 -0.060 0.000 0.659 311 G HN 0.584 nan 8.290 nan 0.000 0.533 312 K N 0.294 120.665 120.400 -0.047 0.000 2.090 312 K HA 0.496 4.817 4.320 0.002 0.000 0.250 312 K C 0.282 176.870 176.600 -0.020 0.000 1.004 312 K CA -0.471 55.798 56.287 -0.029 0.000 0.919 312 K CB 1.118 33.604 32.500 -0.023 0.000 1.045 312 K HN 0.354 nan 8.250 nan 0.000 0.471 313 E N 0.882 121.082 120.200 -0.000 0.000 2.248 313 E HA 0.250 4.601 4.350 0.002 0.000 0.272 313 E C -0.523 176.101 176.600 0.041 0.000 1.008 313 E CA -0.549 55.865 56.400 0.025 0.000 0.856 313 E CB 1.131 30.855 29.700 0.040 0.000 1.120 313 E HN 0.317 nan 8.360 nan 0.000 0.397 314 I N 4.383 124.993 120.570 0.067 0.000 2.301 314 I HA 0.179 4.350 4.170 0.002 0.000 0.292 314 I C -1.992 174.168 176.117 0.071 0.000 1.046 314 I CA -1.966 59.368 61.300 0.057 0.000 1.282 314 I CB 0.462 38.498 38.000 0.060 0.000 1.409 314 I HN 0.226 nan 8.210 nan 0.000 0.484 315 P HA -0.007 nan 4.420 nan 0.000 0.269 315 P C 0.475 177.830 177.300 0.091 0.000 1.215 315 P CA -0.219 62.936 63.100 0.092 0.000 0.780 315 P CB 0.583 32.326 31.700 0.073 0.000 0.898 316 F N 2.490 122.444 119.950 0.006 0.000 2.216 316 F HA -0.204 4.324 4.527 0.001 0.000 0.300 316 F C 1.916 177.624 175.800 -0.153 0.000 1.085 316 F CA 1.709 59.690 58.000 -0.032 0.000 1.326 316 F CB -0.121 38.888 39.000 0.015 0.000 1.027 316 F HN 0.398 nan 8.300 nan 0.000 0.497 317 E N 0.192 120.319 120.200 -0.122 0.000 2.150 317 E HA -0.208 4.143 4.350 0.002 0.000 0.193 317 E C 1.893 178.334 176.600 -0.266 0.000 0.985 317 E CA 1.455 57.614 56.400 -0.402 0.000 0.814 317 E CB -1.023 28.611 29.700 -0.111 0.000 0.752 317 E HN 0.416 nan 8.360 nan 0.000 0.466 318 L N 1.014 122.136 121.223 -0.168 0.000 2.005 318 L HA -0.001 4.340 4.340 0.002 0.000 0.207 318 L C 2.271 179.010 176.870 -0.219 0.000 1.072 318 L CA 1.867 56.620 54.840 -0.144 0.000 0.744 318 L CB -0.591 41.416 42.059 -0.087 0.000 0.895 318 L HN 0.001 nan 8.230 nan 0.000 0.433 319 R N -0.580 119.744 120.500 -0.294 0.000 2.117 319 R HA -0.161 4.180 4.340 0.002 0.000 0.243 319 R C 2.220 178.264 176.300 -0.428 0.000 1.143 319 R CA 1.445 57.331 56.100 -0.357 0.000 0.968 319 R CB -0.664 29.396 30.300 -0.400 0.000 0.863 319 R HN 0.542 nan 8.270 nan 0.000 0.444 320 A N 0.743 123.215 122.820 -0.579 0.000 1.897 320 A HA -0.108 4.213 4.320 0.002 0.000 0.215 320 A C 2.065 179.600 177.584 -0.082 0.000 1.181 320 A CA 0.964 52.788 52.037 -0.354 0.000 0.620 320 A CB -0.316 18.445 19.000 -0.397 0.000 0.821 320 A HN 0.162 nan 8.150 nan 0.000 0.443 321 R N -0.592 119.856 120.500 -0.086 0.000 2.081 321 R HA -0.124 4.217 4.340 0.002 0.000 0.235 321 R C 2.469 178.642 176.300 -0.213 0.000 1.131 321 R CA 1.197 57.204 56.100 -0.154 0.000 0.960 321 R CB -0.420 29.817 30.300 -0.106 0.000 0.856 321 R HN 0.522 nan 8.270 nan 0.000 0.436 322 A N 1.133 123.832 122.820 -0.201 0.000 1.883 322 A HA -0.183 4.138 4.320 0.002 0.000 0.217 322 A C 2.102 179.555 177.584 -0.218 0.000 1.186 322 A CA 1.218 53.127 52.037 -0.215 0.000 0.624 322 A CB -0.370 18.501 19.000 -0.215 0.000 0.822 322 A HN 0.140 nan 8.150 nan 0.000 0.444 323 R N -0.042 120.338 120.500 -0.201 0.000 2.075 323 R HA -0.144 4.197 4.340 0.002 0.000 0.232 323 R C 2.378 178.595 176.300 -0.138 0.000 1.126 323 R CA 1.798 57.791 56.100 -0.177 0.000 0.963 323 R CB -0.625 29.585 30.300 -0.149 0.000 0.858 323 R HN 0.829 nan 8.270 nan 0.000 0.435 324 R N 0.438 120.867 120.500 -0.119 0.000 2.092 324 R HA -0.045 4.296 4.340 0.002 0.000 0.231 324 R C 1.385 177.652 176.300 -0.055 0.000 1.119 324 R CA 1.781 57.861 56.100 -0.032 0.000 0.970 324 R CB -0.468 29.666 30.300 -0.277 0.000 0.864 324 R HN -0.005 nan 8.270 nan 0.000 0.440 325 D N 0.309 120.606 120.400 -0.171 0.000 2.183 325 D HA -0.151 4.490 4.640 0.002 0.000 0.203 325 D C 1.843 178.052 176.300 -0.151 0.000 0.969 325 D CA 0.983 54.886 54.000 -0.162 0.000 0.842 325 D CB -0.164 40.518 40.800 -0.196 0.000 0.957 325 D HN 0.374 nan 8.370 nan 0.000 0.484 326 Q N 1.152 120.842 119.800 -0.184 0.000 2.096 326 Q HA -0.088 4.253 4.340 0.002 0.000 0.197 326 Q C 2.118 178.012 176.000 -0.177 0.000 0.964 326 Q CA 1.209 56.886 55.803 -0.210 0.000 0.838 326 Q CB 0.009 28.584 28.738 -0.271 0.000 0.906 326 Q HN 0.295 nan 8.270 nan 0.000 0.444 327 V N -1.123 118.684 119.914 -0.179 0.000 2.970 327 V HA 0.022 4.143 4.120 0.002 0.000 0.260 327 V C 2.386 178.409 176.094 -0.118 0.000 1.100 327 V CA 1.174 63.357 62.300 -0.195 0.000 1.122 327 V CB -0.547 31.074 31.823 -0.336 0.000 0.721 327 V HN 0.104 nan 8.190 nan 0.000 0.483 328 R N 0.874 121.349 120.500 -0.042 0.000 2.100 328 R HA 0.225 4.566 4.340 0.002 0.000 0.220 328 R C 2.342 178.630 176.300 -0.020 0.000 1.091 328 R CA 1.544 57.664 56.100 0.033 0.000 0.986 328 R CB -0.756 29.577 30.300 0.055 0.000 0.888 328 R HN 0.584 nan 8.270 nan 0.000 0.444 329 A N -0.060 122.727 122.820 -0.054 0.000 1.883 329 A HA -0.150 4.171 4.320 0.002 0.000 0.217 329 A C 2.244 179.811 177.584 -0.028 0.000 1.186 329 A CA 2.167 54.178 52.037 -0.043 0.000 0.624 329 A CB -0.976 17.985 19.000 -0.064 0.000 0.822 329 A HN 0.343 nan 8.150 nan 0.000 0.444 330 T N -0.257 114.268 114.554 -0.048 0.000 2.652 330 T HA -0.097 4.254 4.350 0.002 0.000 0.267 330 T C 1.969 176.645 174.700 -0.040 0.000 1.039 330 T CA 1.763 63.839 62.100 -0.040 0.000 1.153 330 T CB -0.753 68.081 68.868 -0.058 0.000 0.863 330 T HN 0.621 nan 8.240 nan 0.000 0.428 331 G N 1.066 109.844 108.800 -0.036 0.000 2.440 331 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 331 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 331 G C 1.731 176.624 174.900 -0.012 0.000 1.154 331 G CA 0.637 45.725 45.100 -0.020 0.000 0.767 331 G HN 0.423 nan 8.290 nan 0.000 0.552 332 R N 0.251 120.744 120.500 -0.011 0.000 2.075 332 R HA 0.005 4.346 4.340 0.002 0.000 0.232 332 R C 3.070 179.358 176.300 -0.020 0.000 1.126 332 R CA 1.318 57.410 56.100 -0.013 0.000 0.963 332 R CB -0.288 30.000 30.300 -0.020 0.000 0.858 332 R HN 0.315 nan 8.270 nan 0.000 0.435 333 S N 0.884 116.570 115.700 -0.023 0.000 2.359 333 S HA -0.120 4.351 4.470 0.002 0.000 0.224 333 S C 1.949 176.538 174.600 -0.019 0.000 1.035 333 S CA 1.155 59.339 58.200 -0.026 0.000 1.018 333 S CB -0.169 63.027 63.200 -0.006 0.000 0.876 333 S HN 0.231 nan 8.310 nan 0.000 0.448 334 I N 1.468 122.012 120.570 -0.043 0.000 2.252 334 I HA -0.171 4.000 4.170 0.002 0.000 0.245 334 I C 2.734 178.863 176.117 0.019 0.000 1.102 334 I CA 1.041 62.290 61.300 -0.085 0.000 1.385 334 I CB -0.613 37.261 38.000 -0.210 0.000 1.064 334 I HN 0.271 nan 8.210 nan 0.000 0.414 335 A N 0.464 123.302 122.820 0.030 0.000 1.902 335 A HA -0.190 4.131 4.320 0.002 0.000 0.217 335 A C 2.504 180.135 177.584 0.077 0.000 1.181 335 A CA 2.229 54.308 52.037 0.069 0.000 0.623 335 A CB -0.677 18.350 19.000 0.045 0.000 0.818 335 A HN 0.401 nan 8.150 nan 0.000 0.443 336 S N -0.027 115.700 115.700 0.045 0.000 2.356 336 S HA -0.116 4.355 4.470 0.002 0.000 0.223 336 S C 1.820 176.471 174.600 0.085 0.000 1.032 336 S CA 1.460 59.685 58.200 0.043 0.000 1.005 336 S CB -0.549 62.649 63.200 -0.002 0.000 0.867 336 S HN 0.526 nan 8.310 nan 0.000 0.449 337 I N 2.027 122.663 120.570 0.110 0.000 2.194 337 I HA -0.259 3.912 4.170 0.002 0.000 0.246 337 I C 2.077 178.371 176.117 0.295 0.000 1.093 337 I CA 1.336 62.753 61.300 0.195 0.000 1.355 337 I CB -0.545 37.590 38.000 0.225 0.000 1.046 337 I HN 0.162 nan 8.210 nan 0.000 0.413 338 D N 0.476 121.079 120.400 0.340 0.000 2.133 338 D HA -0.182 4.459 4.640 0.002 0.000 0.195 338 D C 2.357 178.784 176.300 0.212 0.000 0.997 338 D CA 1.276 55.516 54.000 0.399 0.000 0.840 338 D CB -0.191 40.839 40.800 0.384 0.000 0.947 338 D HN 0.245 nan 8.370 nan 0.000 0.452 339 R N -0.288 120.285 120.500 0.122 0.000 2.062 339 R HA 0.037 4.378 4.340 0.002 0.000 0.229 339 R C 2.508 178.763 176.300 -0.074 0.000 1.128 339 R CA 0.520 56.638 56.100 0.031 0.000 0.960 339 R CB -0.252 30.063 30.300 0.025 0.000 0.855 339 R HN 0.196 nan 8.270 nan 0.000 0.432 340 L N -0.382 120.791 121.223 -0.083 0.000 2.012 340 L HA -0.214 4.127 4.340 0.002 0.000 0.210 340 L C 2.309 179.023 176.870 -0.259 0.000 1.073 340 L CA 1.270 55.928 54.840 -0.304 0.000 0.748 340 L CB -0.510 41.491 42.059 -0.095 0.000 0.891 340 L HN 0.172 nan 8.230 nan 0.000 0.431 341 F N 1.000 120.840 119.950 -0.182 0.000 2.102 341 F HA -0.237 4.291 4.527 0.002 0.000 0.298 341 F C 2.563 178.208 175.800 -0.258 0.000 1.105 341 F CA 1.967 59.833 58.000 -0.223 0.000 1.239 341 F CB -0.351 38.432 39.000 -0.360 0.000 0.991 341 F HN 0.118 nan 8.300 nan 0.000 0.474 342 E N 0.430 120.373 120.200 -0.428 0.000 2.049 342 E HA -0.290 4.061 4.350 0.002 0.000 0.198 342 E C 2.279 178.684 176.600 -0.324 0.000 1.007 342 E CA 1.450 57.592 56.400 -0.429 0.000 0.809 342 E CB -0.513 29.084 29.700 -0.171 0.000 0.749 342 E HN 0.470 nan 8.360 nan 0.000 0.450 343 A N 0.365 123.045 122.820 -0.234 0.000 1.978 343 A HA -0.149 4.172 4.320 0.002 0.000 0.220 343 A C 2.328 179.912 177.584 0.000 0.000 1.170 343 A CA 1.731 53.695 52.037 -0.123 0.000 0.636 343 A CB -0.533 18.353 19.000 -0.191 0.000 0.810 343 A HN 0.283 nan 8.150 nan 0.000 0.448 344 S N -1.256 114.411 115.700 -0.056 0.000 2.507 344 S HA 0.288 4.759 4.470 0.002 0.000 0.235 344 S C 1.448 176.021 174.600 -0.045 0.000 0.988 344 S CA 0.974 59.243 58.200 0.115 0.000 0.944 344 S CB -0.724 62.521 63.200 0.075 0.000 0.762 344 S HN 1.484 nan 8.310 nan 0.000 0.526 345 G N 1.143 109.835 108.800 -0.179 0.000 2.566 345 G HA2 -0.272 3.689 3.960 0.002 0.000 0.280 345 G HA3 -0.272 3.689 3.960 0.002 0.000 0.280 345 G C 0.877 175.660 174.900 -0.195 0.000 1.225 345 G CA 0.098 45.100 45.100 -0.164 0.000 0.966 345 G HN 0.724 nan 8.290 nan 0.000 0.560 346 A N -1.354 121.399 122.820 -0.111 0.000 2.016 346 A HA 0.245 4.566 4.320 0.002 0.000 0.217 346 A C 2.617 180.147 177.584 -0.091 0.000 1.162 346 A CA 3.071 55.049 52.037 -0.098 0.000 0.662 346 A CB -0.917 18.048 19.000 -0.057 0.000 0.812 346 A HN 2.105 nan 8.150 nan 0.000 0.450 347 T N -2.478 112.013 114.554 -0.105 0.000 2.995 347 T HA 0.183 4.534 4.350 0.002 0.000 0.269 347 T C 1.666 176.287 174.700 -0.133 0.000 1.091 347 T CA 1.111 63.138 62.100 -0.122 0.000 1.128 347 T CB -0.265 68.499 68.868 -0.173 0.000 0.891 347 T HN 0.466 nan 8.240 nan 0.000 0.492 348 A N 1.028 123.756 122.820 -0.154 0.000 2.206 348 A HA 0.398 4.719 4.320 0.002 0.000 0.211 348 A C 2.205 179.823 177.584 0.057 0.000 1.158 348 A CA 0.256 52.258 52.037 -0.058 0.000 0.761 348 A CB -0.666 18.273 19.000 -0.102 0.000 0.801 348 A HN 0.556 nan 8.150 nan 0.000 0.473 349 L N -0.432 120.788 121.223 -0.006 0.000 2.313 349 L HA 0.006 4.347 4.340 0.002 0.000 0.214 349 L C 1.523 178.421 176.870 0.047 0.000 1.119 349 L CA 0.278 55.145 54.840 0.046 0.000 0.809 349 L CB -0.421 41.636 42.059 -0.003 0.000 0.933 349 L HN 0.411 nan 8.230 nan 0.000 0.449 350 S N 0.613 116.324 115.700 0.018 0.000 2.558 350 S HA -0.035 4.436 4.470 0.002 0.000 0.288 350 S C 1.293 175.907 174.600 0.022 0.000 1.318 350 S CA -0.477 57.731 58.200 0.012 0.000 1.056 350 S CB 0.530 63.727 63.200 -0.004 0.000 0.853 350 S HN 0.244 nan 8.310 nan 0.000 0.505 351 N N 2.803 121.513 118.700 0.016 0.000 2.348 351 N HA -0.110 4.631 4.740 0.002 0.000 0.185 351 N C 1.286 176.796 175.510 0.000 0.000 1.019 351 N CA 1.236 54.292 53.050 0.011 0.000 0.880 351 N CB -0.109 38.382 38.487 0.007 0.000 0.965 351 N HN 0.784 nan 8.380 nan 0.000 0.437 352 E N -0.520 119.679 120.200 -0.001 0.000 2.474 352 E HA 0.178 4.529 4.350 0.002 0.000 0.195 352 E C 0.083 176.677 176.600 -0.010 0.000 1.039 352 E CA -0.135 56.260 56.400 -0.008 0.000 0.881 352 E CB 0.099 29.796 29.700 -0.005 0.000 0.970 352 E HN 0.105 nan 8.360 nan 0.000 0.486 353 A N 3.375 126.195 122.820 -0.001 0.000 2.396 353 A HA 0.291 4.612 4.320 0.002 0.000 0.279 353 A C -1.597 175.989 177.584 0.003 0.000 1.165 353 A CA -1.224 50.818 52.037 0.007 0.000 0.824 353 A CB 0.421 19.431 19.000 0.017 0.000 1.100 353 A HN -0.134 nan 8.150 nan 0.000 0.516 354 P HA -0.193 nan 4.420 nan 0.000 0.216 354 P C 1.486 178.751 177.300 -0.058 0.000 1.150 354 P CA 0.840 63.874 63.100 -0.110 0.000 0.837 354 P CB 0.107 31.811 31.700 0.007 0.000 0.786 355 I N -0.153 120.533 120.570 0.194 0.000 2.208 355 I HA -0.346 3.825 4.170 0.002 0.000 0.245 355 I C 2.207 178.482 176.117 0.263 0.000 1.097 355 I CA 1.743 63.264 61.300 0.369 0.000 1.363 355 I CB -0.221 37.990 38.000 0.352 0.000 1.051 355 I HN -0.039 nan 8.210 nan 0.000 0.413 356 Q N 0.404 120.310 119.800 0.177 0.000 2.170 356 Q HA -0.253 4.088 4.340 0.002 0.000 0.203 356 Q C 2.163 178.219 176.000 0.093 0.000 0.976 356 Q CA 1.527 57.386 55.803 0.094 0.000 0.858 356 Q CB -0.686 28.150 28.738 0.162 0.000 0.907 356 Q HN 0.404 nan 8.270 nan 0.000 0.433 357 R N -0.484 120.009 120.500 -0.011 0.000 2.066 357 R HA -0.068 4.273 4.340 0.002 0.000 0.232 357 R C 1.589 177.846 176.300 -0.072 0.000 1.131 357 R CA 1.311 57.349 56.100 -0.104 0.000 0.955 357 R CB -0.205 29.951 30.300 -0.240 0.000 0.851 357 R HN 0.318 nan 8.270 nan 0.000 0.432 358 F N -0.558 119.449 119.950 0.094 0.000 2.126 358 F HA -0.220 4.308 4.527 0.001 0.000 0.299 358 F C 2.149 178.017 175.800 0.114 0.000 1.096 358 F CA 1.290 59.350 58.000 0.100 0.000 1.255 358 F CB -0.975 38.098 39.000 0.122 0.000 0.997 358 F HN 0.234 nan 8.300 nan 0.000 0.479 359 W N 1.572 122.913 121.300 0.067 0.000 2.354 359 W HA -0.154 4.507 4.660 0.002 0.000 0.315 359 W C 2.531 179.058 176.519 0.014 0.000 1.206 359 W CA 1.818 59.134 57.345 -0.049 0.000 1.290 359 W CB -0.487 28.674 29.460 -0.498 0.000 1.152 359 W HN -0.170 nan 8.180 nan 0.000 0.489 360 R N -0.015 120.394 120.500 -0.152 0.000 2.081 360 R HA -0.159 4.182 4.340 0.002 0.000 0.235 360 R C 1.770 177.964 176.300 -0.177 0.000 1.131 360 R CA 1.732 57.636 56.100 -0.326 0.000 0.960 360 R CB -0.776 29.412 30.300 -0.187 0.000 0.856 360 R HN 0.153 nan 8.270 nan 0.000 0.436 361 D N 0.679 121.036 120.400 -0.071 0.000 2.097 361 D HA -0.116 4.525 4.640 0.002 0.000 0.195 361 D C 1.830 178.098 176.300 -0.054 0.000 0.989 361 D CA 1.597 55.569 54.000 -0.047 0.000 0.827 361 D CB -0.256 40.561 40.800 0.027 0.000 0.966 361 D HN 0.239 nan 8.370 nan 0.000 0.456 362 A N 0.386 123.198 122.820 -0.013 0.000 1.930 362 A HA -0.181 4.140 4.320 0.002 0.000 0.217 362 A C 1.883 179.364 177.584 -0.172 0.000 1.175 362 A CA 1.169 53.172 52.037 -0.057 0.000 0.627 362 A CB -0.711 18.266 19.000 -0.039 0.000 0.815 362 A HN 0.340 nan 8.150 nan 0.000 0.443 363 H N -0.820 118.123 119.070 -0.211 0.000 2.495 363 H HA 0.087 4.644 4.556 0.002 0.000 0.287 363 H C 2.406 177.640 175.328 -0.157 0.000 1.033 363 H CA 1.051 56.960 56.048 -0.233 0.000 1.307 363 H CB 0.012 29.513 29.762 -0.434 0.000 1.401 363 H HN 0.563 nan 8.280 nan 0.000 0.555 364 A N 0.578 123.370 122.820 -0.046 0.000 1.898 364 A HA -0.009 4.312 4.320 0.002 0.000 0.214 364 A C 2.779 180.366 177.584 0.005 0.000 1.183 364 A CA 1.165 53.208 52.037 0.010 0.000 0.622 364 A CB -0.952 18.036 19.000 -0.021 0.000 0.824 364 A HN 0.412 nan 8.150 nan 0.000 0.444 365 G N -0.025 108.672 108.800 -0.171 0.000 2.442 365 G HA2 -0.305 3.656 3.960 0.002 0.000 0.219 365 G HA3 -0.305 3.656 3.960 0.002 0.000 0.219 365 G C 1.656 176.573 174.900 0.028 0.000 1.141 365 G CA 1.372 46.318 45.100 -0.257 0.000 0.763 365 G HN 0.544 nan 8.290 nan 0.000 0.554 366 R N 0.956 121.450 120.500 -0.010 0.000 2.159 366 R HA -0.084 4.257 4.340 0.002 0.000 0.237 366 R C 2.538 178.844 176.300 0.009 0.000 1.131 366 R CA 1.865 57.960 56.100 -0.007 0.000 0.982 366 R CB -0.869 29.393 30.300 -0.064 0.000 0.868 366 R HN 0.466 nan 8.270 nan 0.000 0.453 367 V N -1.449 118.465 119.914 -0.000 0.000 2.970 367 V HA -0.031 4.090 4.120 0.002 0.000 0.260 367 V C 1.289 177.314 176.094 -0.114 0.000 1.100 367 V CA 0.708 62.983 62.300 -0.042 0.000 1.122 367 V CB -1.136 30.676 31.823 -0.019 0.000 0.721 367 V HN 0.327 nan 8.190 nan 0.000 0.483 368 H N 0.907 119.863 119.070 -0.190 0.000 3.038 368 H HA 0.208 4.765 4.556 0.002 0.000 0.338 368 H C 1.504 176.768 175.328 -0.108 0.000 1.041 368 H CA 0.708 56.647 56.048 -0.181 0.000 1.394 368 H CB 1.651 31.429 29.762 0.026 0.000 1.357 368 H HN 0.333 nan 8.280 nan 0.000 0.600 369 A N 4.935 127.705 122.820 -0.084 0.000 1.940 369 A HA -0.149 4.172 4.320 0.002 0.000 0.219 369 A C 2.394 180.058 177.584 0.133 0.000 1.176 369 A CA 1.661 53.716 52.037 0.030 0.000 0.631 369 A CB -0.793 18.195 19.000 -0.019 0.000 0.814 369 A HN 0.793 nan 8.150 nan 0.000 0.446 370 A N -0.440 122.573 122.820 0.323 0.000 2.216 370 A HA -0.091 4.230 4.320 0.002 0.000 0.214 370 A C 1.586 179.106 177.584 -0.107 0.000 1.160 370 A CA 1.369 53.391 52.037 -0.025 0.000 0.725 370 A CB -0.680 18.123 19.000 -0.328 0.000 0.784 370 A HN 0.722 nan 8.150 nan 0.000 0.472 371 N N -0.448 118.229 118.700 -0.037 0.000 2.325 371 N HA 0.031 4.772 4.740 0.002 0.000 0.182 371 N C -0.102 175.340 175.510 -0.114 0.000 1.088 371 N CA 0.021 53.019 53.050 -0.088 0.000 0.879 371 N CB 0.133 38.597 38.487 -0.039 0.000 0.983 371 N HN 0.446 nan 8.380 nan 0.000 0.471 372 D N 1.355 121.700 120.400 -0.091 0.000 2.451 372 D HA -0.010 4.631 4.640 0.002 0.000 0.254 372 D C -1.644 174.534 176.300 -0.203 0.000 1.204 372 D CA -1.390 52.545 54.000 -0.109 0.000 0.896 372 D CB 1.034 41.792 40.800 -0.069 0.000 1.136 372 D HN 0.045 nan 8.370 nan 0.000 0.499 373 P HA -0.122 nan 4.420 nan 0.000 0.214 373 P C 1.137 178.101 177.300 -0.561 0.000 1.162 373 P CA 0.727 63.492 63.100 -0.560 0.000 0.874 373 P CB 0.092 31.563 31.700 -0.381 0.000 0.784 374 E N -0.293 119.787 120.200 -0.200 0.000 2.097 374 E HA -0.280 4.071 4.350 0.002 0.000 0.196 374 E C 2.281 178.865 176.600 -0.028 0.000 1.000 374 E CA 1.035 57.416 56.400 -0.032 0.000 0.804 374 E CB -0.155 29.557 29.700 0.020 0.000 0.740 374 E HN -0.146 nan 8.360 nan 0.000 0.454 375 R N 0.163 120.622 120.500 -0.069 0.000 2.080 375 R HA -0.115 4.226 4.340 0.002 0.000 0.236 375 R C 2.186 178.467 176.300 -0.032 0.000 1.137 375 R CA 1.513 57.591 56.100 -0.037 0.000 0.943 375 R CB -0.893 29.378 30.300 -0.048 0.000 0.846 375 R HN 0.291 nan 8.270 nan 0.000 0.431 376 A N -0.235 122.515 122.820 -0.116 0.000 1.933 376 A HA -0.157 4.164 4.320 0.002 0.000 0.218 376 A C 1.939 179.579 177.584 0.093 0.000 1.175 376 A CA 1.150 53.137 52.037 -0.083 0.000 0.628 376 A CB -0.615 18.262 19.000 -0.206 0.000 0.814 376 A HN 0.332 nan 8.150 nan 0.000 0.444 377 Y N -0.607 119.704 120.300 0.018 0.000 2.373 377 Y HA -0.029 4.522 4.550 0.002 0.000 0.293 377 Y C 2.524 178.480 175.900 0.093 0.000 1.129 377 Y CA 0.256 58.391 58.100 0.057 0.000 1.226 377 Y CB -0.873 37.605 38.460 0.030 0.000 1.000 377 Y HN 0.111 nan 8.280 nan 0.000 0.549 378 V N -0.226 119.816 119.914 0.213 0.000 2.488 378 V HA -0.239 3.881 4.120 0.002 0.000 0.246 378 V C 2.260 178.436 176.094 0.137 0.000 1.046 378 V CA 1.256 63.645 62.300 0.149 0.000 1.053 378 V CB -0.561 31.326 31.823 0.107 0.000 0.679 378 V HN 0.268 nan 8.190 nan 0.000 0.458 379 I N -0.536 120.118 120.570 0.140 0.000 2.163 379 I HA -0.313 3.858 4.170 0.002 0.000 0.243 379 I C 2.283 178.513 176.117 0.189 0.000 1.085 379 I CA 2.205 63.598 61.300 0.156 0.000 1.347 379 I CB -0.390 37.680 38.000 0.117 0.000 1.044 379 I HN 0.363 nan 8.210 nan 0.000 0.408 380 F N 1.308 121.290 119.950 0.053 0.000 2.163 380 F HA -0.025 4.503 4.527 0.001 0.000 0.297 380 F C 2.316 178.114 175.800 -0.003 0.000 1.094 380 F CA 1.476 59.488 58.000 0.021 0.000 1.290 380 F CB -0.605 38.387 39.000 -0.014 0.000 1.017 380 F HN -0.033 nan 8.300 nan 0.000 0.483 381 G N 0.490 109.231 108.800 -0.098 0.000 2.421 381 G HA2 -0.325 3.636 3.960 0.002 0.000 0.216 381 G HA3 -0.325 3.636 3.960 0.002 0.000 0.216 381 G C 1.480 176.164 174.900 -0.359 0.000 1.171 381 G CA 1.014 45.887 45.100 -0.378 0.000 0.775 381 G HN 0.322 nan 8.290 nan 0.000 0.543 382 N N 0.247 118.911 118.700 -0.060 0.000 2.060 382 N HA -0.160 4.581 4.740 0.002 0.000 0.195 382 N C 1.919 177.433 175.510 0.006 0.000 1.028 382 N CA 1.404 54.479 53.050 0.043 0.000 0.861 382 N CB -0.721 37.822 38.487 0.094 0.000 1.029 382 N HN 0.533 nan 8.380 nan 0.000 0.428 383 H N 1.046 120.055 119.070 -0.102 0.000 2.387 383 H HA -0.021 4.536 4.556 0.002 0.000 0.299 383 H C 1.006 176.211 175.328 -0.206 0.000 1.090 383 H CA 1.131 57.130 56.048 -0.083 0.000 1.332 383 H CB 0.361 30.152 29.762 0.047 0.000 1.386 383 H HN 0.198 nan 8.280 nan 0.000 0.516 384 E N -0.007 119.940 120.200 -0.422 0.000 2.274 384 E HA -0.089 4.262 4.350 0.002 0.000 0.194 384 E C 1.910 178.374 176.600 -0.226 0.000 0.996 384 E CA 0.464 56.586 56.400 -0.464 0.000 0.840 384 E CB -0.213 29.069 29.700 -0.697 0.000 0.772 384 E HN 0.588 nan 8.360 nan 0.000 0.491 385 F N -0.707 119.144 119.950 -0.165 0.000 2.714 385 F HA 0.170 4.698 4.527 0.002 0.000 0.294 385 F C 1.714 177.447 175.800 -0.113 0.000 1.120 385 F CA 0.140 58.074 58.000 -0.111 0.000 1.398 385 F CB 0.883 39.841 39.000 -0.070 0.000 1.120 385 F HN 0.151 nan 8.300 nan 0.000 0.589 386 G N 0.931 109.745 108.800 0.024 0.000 2.238 386 G HA2 -0.236 3.725 3.960 0.002 0.000 0.217 386 G HA3 -0.236 3.725 3.960 0.002 0.000 0.217 386 G C 0.285 175.173 174.900 -0.021 0.000 0.996 386 G CA -0.459 44.619 45.100 -0.036 0.000 0.632 386 G HN 0.077 nan 8.290 nan 0.000 0.503 387 L N 2.209 123.451 121.223 0.033 0.000 2.514 387 L HA 0.236 4.577 4.340 0.002 0.000 0.280 387 L C -1.556 175.312 176.870 -0.004 0.000 1.223 387 L CA -1.062 53.795 54.840 0.029 0.000 0.864 387 L CB 0.147 42.251 42.059 0.076 0.000 1.118 387 L HN 0.047 nan 8.230 nan 0.000 0.494 388 P HA 0.223 nan 4.420 nan 0.000 0.276 388 P C -2.141 175.143 177.300 -0.027 0.000 1.230 388 P CA -0.981 62.092 63.100 -0.045 0.000 0.776 388 P CB -0.099 31.579 31.700 -0.036 0.000 0.888 393 M N -0.389 119.203 119.600 -0.013 0.000 7.319 393 M HA -0.174 4.307 4.480 0.002 0.000 0.151 393 M C 0.598 176.856 176.300 -0.071 0.000 0.480 393 M CA 0.704 55.976 55.300 -0.046 0.000 1.311 393 M CB -2.540 30.020 32.600 -0.067 0.000 0.421 393 M HN 1.337 nan 8.290 nan 0.000 0.175 394 V N 0.000 119.849 119.914 -0.109 0.000 2.409 394 V HA 0.000 4.121 4.120 0.002 0.000 0.244 394 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 394 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 394 V HN 0.000 nan 8.190 nan 0.000 0.556