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 2ix6_1_A DATA FIRST_RESID 17 DATA SEQUENCE KSSYFDLPPM EMSVAFPQAT PASTFPPCTS DYYHFNDLLT PEEQAIRKKV DATA SEQUENCE RECMEKEVAP IMTEYWEKAE FPFHITPKLG AMGVAGGSIK GYGCPGLSIT DATA SEQUENCE ANAIATAEIA RVDASCSTFI LVHSSLGMLT IALCGSEAQK EKYLPSLAQL DATA SEQUENCE NTVACWALTE PDNGSDASGL GTTATKVEGG WKINGQKRWI GNSTFADLLI DATA SEQUENCE IFARNTTTNQ INGFIVKKDA PGLKATKIPN KIGLRMVQNG DILLQNVFVP DATA SEQUENCE DEDRLPGVNS FQDTSKVLAV SRVMVAWQPI GISMGIYDMC HRYLKERKQF DATA SEQUENCE GAPLAAFQLN QQKLVQMLGN VQAMFLMGWR LCKLYETGQM TPGQASLGKA DATA SEQUENCE WISSKARETA SLGRELLGGN GILADFLVAK AFCDLEPIYT YEGTYDINTL DATA SEQUENCE VTGREVTGIA SFKPATR 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.412 176.600 -0.313 0.000 0.988 17 K CA 0.000 56.055 56.287 -0.387 0.000 0.838 17 K CB 0.000 32.402 32.500 -0.163 0.000 1.064 18 S N -0.489 115.084 115.700 -0.212 0.000 2.587 18 S HA 0.297 4.710 4.470 -0.095 0.000 0.269 18 S C 0.255 174.702 174.600 -0.255 0.000 1.154 18 S CA -0.059 57.941 58.200 -0.333 0.000 0.824 18 S CB 1.458 64.282 63.200 -0.627 0.000 1.118 18 S HN 0.953 nan 8.310 nan 0.000 0.462 19 S N 1.190 116.684 115.700 -0.344 0.000 2.474 19 S HA -0.082 4.331 4.470 -0.095 0.000 0.235 19 S C 1.101 175.681 174.600 -0.034 0.000 0.997 19 S CA 1.400 59.516 58.200 -0.140 0.000 0.949 19 S CB -0.714 62.448 63.200 -0.064 0.000 0.766 19 S HN 0.971 nan 8.310 nan 0.000 0.517 20 Y N -2.280 118.079 120.300 0.097 0.000 2.557 20 Y HA 0.554 5.047 4.550 -0.095 0.000 0.247 20 Y C 1.335 177.310 175.900 0.125 0.000 1.164 20 Y CA -1.741 56.412 58.100 0.088 0.000 1.218 20 Y CB -0.717 37.784 38.460 0.068 0.000 1.210 20 Y HN 0.151 nan 8.280 nan 0.000 0.529 21 F N 2.233 122.183 119.950 -0.001 0.000 2.259 21 F HA -0.042 4.428 4.527 -0.095 0.000 0.298 21 F C 1.443 177.270 175.800 0.045 0.000 1.088 21 F CA 1.552 59.575 58.000 0.038 0.000 1.358 21 F CB 0.015 38.989 39.000 -0.044 0.000 1.040 21 F HN 0.036 nan 8.300 nan 0.000 0.505 22 D N 0.426 120.831 120.400 0.008 0.000 2.289 22 D HA 0.031 4.614 4.640 -0.095 0.000 0.207 22 D C 0.801 177.063 176.300 -0.062 0.000 0.966 22 D CA 0.285 54.241 54.000 -0.073 0.000 0.868 22 D CB -0.062 40.746 40.800 0.013 0.000 0.943 22 D HN 0.189 nan 8.370 nan 0.000 0.514 23 L N 2.302 123.523 121.223 -0.003 0.000 2.525 23 L HA 0.043 4.326 4.340 -0.095 0.000 0.278 23 L C -1.778 175.079 176.870 -0.022 0.000 1.218 23 L CA -1.135 53.711 54.840 0.010 0.000 0.878 23 L CB -0.072 42.023 42.059 0.060 0.000 1.127 23 L HN -0.173 nan 8.230 nan 0.000 0.492 24 P HA 0.118 nan 4.420 nan 0.000 0.267 24 P C -2.320 174.970 177.300 -0.016 0.000 1.200 24 P CA -0.818 62.267 63.100 -0.025 0.000 0.772 24 P CB -0.261 31.430 31.700 -0.015 0.000 0.855 25 P HA 0.029 nan 4.420 nan 0.000 0.266 25 P C -0.082 177.221 177.300 0.006 0.000 1.186 25 P CA 0.160 63.256 63.100 -0.006 0.000 0.767 25 P CB 0.270 31.967 31.700 -0.005 0.000 0.820 26 M N 2.514 122.124 119.600 0.016 0.000 2.238 26 M HA 0.019 4.442 4.480 -0.095 0.000 0.350 26 M C 0.466 176.784 176.300 0.029 0.000 1.321 26 M CA 0.080 55.393 55.300 0.023 0.000 1.097 26 M CB 0.314 32.932 32.600 0.030 0.000 1.713 26 M HN 0.302 nan 8.290 nan 0.000 0.455 27 E N 4.264 124.479 120.200 0.025 0.000 2.442 27 E HA -0.064 4.229 4.350 -0.095 0.000 0.262 27 E C 0.744 177.371 176.600 0.045 0.000 1.004 27 E CA 0.051 56.466 56.400 0.025 0.000 0.928 27 E CB 0.667 30.378 29.700 0.018 0.000 0.937 27 E HN 0.780 nan 8.360 nan 0.000 0.446 28 M N 1.571 121.196 119.600 0.042 0.000 2.358 28 M HA -0.148 4.275 4.480 -0.095 0.000 0.264 28 M C 2.094 178.452 176.300 0.097 0.000 1.064 28 M CA 1.105 56.451 55.300 0.077 0.000 1.093 28 M CB -0.877 31.733 32.600 0.017 0.000 1.401 28 M HN 0.409 nan 8.290 nan 0.000 0.440 29 S N -0.302 115.431 115.700 0.055 0.000 2.402 29 S HA -0.056 4.357 4.470 -0.095 0.000 0.229 29 S C 1.764 176.387 174.600 0.039 0.000 1.021 29 S CA 1.097 59.323 58.200 0.044 0.000 0.974 29 S CB 0.159 63.373 63.200 0.023 0.000 0.800 29 S HN 0.310 nan 8.310 nan 0.000 0.484 30 V N 1.050 120.989 119.914 0.041 0.000 2.795 30 V HA 0.276 4.339 4.120 -0.095 0.000 0.243 30 V C 2.707 178.828 176.094 0.045 0.000 1.069 30 V CA 1.003 63.319 62.300 0.027 0.000 1.089 30 V CB -0.887 30.947 31.823 0.018 0.000 0.756 30 V HN 0.496 nan 8.190 nan 0.000 0.471 31 A N -0.937 121.935 122.820 0.087 0.000 1.930 31 A HA -0.001 4.262 4.320 -0.095 0.000 0.217 31 A C 1.098 178.820 177.584 0.229 0.000 1.175 31 A CA 1.467 53.583 52.037 0.131 0.000 0.627 31 A CB -0.207 18.876 19.000 0.139 0.000 0.815 31 A HN 0.490 nan 8.150 nan 0.000 0.443 32 F N -1.033 118.957 119.950 0.066 0.000 3.228 32 F HA 0.409 4.879 4.527 -0.095 0.000 0.390 32 F C -2.567 173.276 175.800 0.072 0.000 1.235 32 F CA -1.689 56.359 58.000 0.080 0.000 1.236 32 F CB 1.653 40.747 39.000 0.158 0.000 1.855 32 F HN -0.043 nan 8.300 nan 0.000 0.647 33 P HA -0.075 nan 4.420 nan 0.000 0.222 33 P C 1.262 178.494 177.300 -0.113 0.000 1.153 33 P CA 1.032 64.088 63.100 -0.073 0.000 0.798 33 P CB 0.238 31.876 31.700 -0.103 0.000 0.796 34 Q N -0.593 119.006 119.800 -0.335 0.000 2.226 34 Q HA -0.007 4.276 4.340 -0.095 0.000 0.204 34 Q C 0.678 176.625 176.000 -0.088 0.000 0.975 34 Q CA 0.858 56.493 55.803 -0.280 0.000 0.866 34 Q CB -0.186 28.264 28.738 -0.480 0.000 0.915 34 Q HN 0.190 nan 8.270 nan 0.000 0.440 35 A N 0.133 123.042 122.820 0.148 0.000 2.380 35 A HA 0.518 4.781 4.320 -0.095 0.000 0.315 35 A C -0.671 177.104 177.584 0.319 0.000 1.101 35 A CA -0.581 51.587 52.037 0.219 0.000 0.771 35 A CB 1.653 20.777 19.000 0.206 0.000 1.287 35 A HN -0.043 nan 8.150 nan 0.000 0.436 36 T N 4.438 119.126 114.554 0.225 0.000 2.771 36 T HA 0.528 4.821 4.350 -0.095 0.000 0.291 36 T C -2.243 172.521 174.700 0.106 0.000 0.954 36 T CA -0.739 61.443 62.100 0.136 0.000 1.045 36 T CB 0.927 69.834 68.868 0.066 0.000 0.917 36 T HN 0.579 nan 8.240 nan 0.000 0.484 37 P HA 0.215 nan 4.420 nan 0.000 0.275 37 P C 0.461 177.616 177.300 -0.241 0.000 1.270 37 P CA -0.407 62.392 63.100 -0.501 0.000 0.791 37 P CB 0.602 31.991 31.700 -0.518 0.000 1.089 38 A N 0.195 122.859 122.820 -0.260 0.000 2.168 38 A HA -0.070 4.193 4.320 -0.095 0.000 0.215 38 A C 2.235 179.832 177.584 0.022 0.000 1.152 38 A CA 1.198 53.169 52.037 -0.111 0.000 0.716 38 A CB -1.490 17.471 19.000 -0.066 0.000 0.794 38 A HN 0.515 nan 8.150 nan 0.000 0.465 39 S N 0.134 115.814 115.700 -0.033 0.000 2.372 39 S HA -0.118 4.295 4.470 -0.095 0.000 0.227 39 S C 0.969 175.608 174.600 0.064 0.000 1.044 39 S CA 1.673 59.883 58.200 0.016 0.000 1.050 39 S CB -0.448 62.739 63.200 -0.022 0.000 0.901 39 S HN 0.639 nan 8.310 nan 0.000 0.447 40 T N 2.618 117.199 114.554 0.045 0.000 2.811 40 T HA 0.389 4.682 4.350 -0.095 0.000 0.309 40 T C -0.445 174.318 174.700 0.106 0.000 1.005 40 T CA -0.390 61.757 62.100 0.078 0.000 0.955 40 T CB -0.119 68.777 68.868 0.047 0.000 0.970 40 T HN 0.129 nan 8.240 nan 0.000 0.496 41 F N 5.093 125.054 119.950 0.018 0.000 2.529 41 F HA 0.293 4.764 4.527 -0.093 0.000 0.365 41 F C -1.754 174.076 175.800 0.050 0.000 1.102 41 F CA -1.859 56.159 58.000 0.030 0.000 1.271 41 F CB 0.435 39.453 39.000 0.030 0.000 1.120 41 F HN 0.357 nan 8.300 nan 0.000 0.579 42 P HA 0.056 nan 4.420 nan 0.000 0.268 42 P C -2.495 174.862 177.300 0.095 0.000 1.208 42 P CA -0.658 62.371 63.100 -0.117 0.000 0.777 42 P CB -0.172 31.372 31.700 -0.260 0.000 0.875 43 P HA -0.001 nan 4.420 nan 0.000 0.274 43 P C -0.414 176.975 177.300 0.149 0.000 1.246 43 P CA -0.295 62.888 63.100 0.139 0.000 0.795 43 P CB 0.565 32.333 31.700 0.112 0.000 1.006 44 C N 3.002 122.391 119.300 0.148 0.000 2.305 44 C HA 0.193 4.596 4.460 -0.095 0.000 0.378 44 C C 1.742 176.795 174.990 0.105 0.000 1.047 44 C CA 0.437 59.544 59.018 0.148 0.000 1.385 44 C CB -2.416 25.409 27.740 0.141 0.000 1.825 44 C HN 0.662 nan 8.230 nan 0.000 0.508 45 T N -0.349 114.266 114.554 0.103 0.000 3.069 45 T HA 0.013 4.306 4.350 -0.095 0.000 0.252 45 T C 1.468 176.210 174.700 0.070 0.000 1.053 45 T CA 0.671 62.784 62.100 0.022 0.000 0.964 45 T CB -0.115 68.618 68.868 -0.225 0.000 1.005 45 T HN 0.736 nan 8.240 nan 0.000 0.532 46 S N 0.648 116.412 115.700 0.107 0.000 2.470 46 S HA 0.016 4.429 4.470 -0.095 0.000 0.225 46 S C 0.928 175.470 174.600 -0.097 0.000 1.006 46 S CA -0.044 58.099 58.200 -0.097 0.000 0.934 46 S CB -0.406 62.838 63.200 0.074 0.000 0.778 46 S HN 0.470 nan 8.310 nan 0.000 0.517 47 D N 0.726 121.113 120.400 -0.022 0.000 2.545 47 D HA 0.052 4.635 4.640 -0.095 0.000 0.227 47 D C -0.145 176.049 176.300 -0.177 0.000 1.150 47 D CA -0.234 53.691 54.000 -0.124 0.000 1.046 47 D CB -0.023 40.746 40.800 -0.052 0.000 1.098 47 D HN 0.402 nan 8.370 nan 0.000 0.502 48 Y N 2.480 122.547 120.300 -0.389 0.000 2.476 48 Y HA -0.026 4.467 4.550 -0.095 0.000 0.283 48 Y C 0.588 176.410 175.900 -0.131 0.000 1.109 48 Y CA 0.627 58.577 58.100 -0.251 0.000 1.246 48 Y CB 0.194 38.497 38.460 -0.261 0.000 1.068 48 Y HN 0.279 nan 8.280 nan 0.000 0.552 49 Y N 0.569 120.439 120.300 -0.717 0.000 2.583 49 Y HA 0.205 4.697 4.550 -0.096 0.000 0.294 49 Y C 0.113 175.579 175.900 -0.723 0.000 1.170 49 Y CA -0.365 57.303 58.100 -0.721 0.000 1.265 49 Y CB -1.598 36.521 38.460 -0.568 0.000 1.119 49 Y HN 0.222 nan 8.280 nan 0.000 0.522 50 H N -0.892 117.801 119.070 -0.628 0.000 2.631 50 H HA -0.252 4.248 4.556 -0.094 0.000 0.322 50 H C 0.193 175.312 175.328 -0.349 0.000 1.035 50 H CA -0.119 55.679 56.048 -0.416 0.000 1.070 50 H CB -1.581 28.022 29.762 -0.264 0.000 1.622 50 H HN 0.399 nan 8.280 nan 0.000 0.373 51 F N 1.143 120.865 119.950 -0.380 0.000 2.661 51 F HA -0.068 4.402 4.527 -0.094 0.000 0.298 51 F C 1.999 177.603 175.800 -0.327 0.000 1.137 51 F CA 0.289 58.026 58.000 -0.438 0.000 1.454 51 F CB -0.014 38.470 39.000 -0.860 0.000 1.103 51 F HN 0.386 nan 8.300 nan 0.000 0.577 52 N N 0.425 118.955 118.700 -0.284 0.000 2.443 52 N HA -0.156 4.527 4.740 -0.095 0.000 0.184 52 N C 1.127 176.552 175.510 -0.142 0.000 1.037 52 N CA 0.984 53.912 53.050 -0.204 0.000 0.896 52 N CB -0.382 37.936 38.487 -0.282 0.000 0.959 52 N HN 0.229 nan 8.380 nan 0.000 0.442 53 D N -0.175 120.116 120.400 -0.181 0.000 2.224 53 D HA -0.021 4.563 4.640 -0.095 0.000 0.205 53 D C 1.525 177.807 176.300 -0.030 0.000 0.965 53 D CA 0.584 54.543 54.000 -0.069 0.000 0.852 53 D CB 0.061 40.831 40.800 -0.050 0.000 0.947 53 D HN 0.341 nan 8.370 nan 0.000 0.494 54 L N -0.008 121.182 121.223 -0.055 0.000 2.558 54 L HA 0.142 4.425 4.340 -0.095 0.000 0.225 54 L C 0.679 177.655 176.870 0.177 0.000 1.128 54 L CA 0.125 54.913 54.840 -0.086 0.000 0.868 54 L CB 0.026 41.739 42.059 -0.577 0.000 1.006 54 L HN -0.151 nan 8.230 nan 0.000 0.454 55 L N -0.698 120.611 121.223 0.144 0.000 2.334 55 L HA 0.401 4.684 4.340 -0.095 0.000 0.272 55 L C 0.670 177.609 176.870 0.114 0.000 1.020 55 L CA -0.655 54.286 54.840 0.169 0.000 0.812 55 L CB 1.688 43.838 42.059 0.152 0.000 1.264 55 L HN -0.008 nan 8.230 nan 0.000 0.439 56 T N -2.202 112.415 114.554 0.104 0.000 2.882 56 T HA 0.258 4.551 4.350 -0.095 0.000 0.287 56 T C -1.960 172.771 174.700 0.053 0.000 1.014 56 T CA -1.630 60.513 62.100 0.072 0.000 1.049 56 T CB 1.252 70.157 68.868 0.061 0.000 1.001 56 T HN 0.330 nan 8.240 nan 0.000 0.525 57 P HA -0.134 nan 4.420 nan 0.000 0.216 57 P C 1.419 178.738 177.300 0.031 0.000 1.154 57 P CA 1.170 64.290 63.100 0.034 0.000 0.865 57 P CB 0.101 31.818 31.700 0.029 0.000 0.789 58 E N -0.276 119.941 120.200 0.028 0.000 2.107 58 E HA -0.190 4.103 4.350 -0.095 0.000 0.191 58 E C 1.837 178.451 176.600 0.022 0.000 0.982 58 E CA 0.890 57.303 56.400 0.022 0.000 0.809 58 E CB -0.139 29.571 29.700 0.017 0.000 0.756 58 E HN 0.279 nan 8.360 nan 0.000 0.459 59 E N 0.352 120.569 120.200 0.029 0.000 2.077 59 E HA -0.222 4.071 4.350 -0.095 0.000 0.193 59 E C 2.231 178.854 176.600 0.040 0.000 0.989 59 E CA 1.133 57.550 56.400 0.029 0.000 0.800 59 E CB -0.004 29.723 29.700 0.046 0.000 0.746 59 E HN 0.310 nan 8.360 nan 0.000 0.452 60 Q N 0.072 119.900 119.800 0.047 0.000 2.096 60 Q HA -0.172 4.111 4.340 -0.095 0.000 0.204 60 Q C 2.231 178.254 176.000 0.039 0.000 0.982 60 Q CA 1.403 57.234 55.803 0.047 0.000 0.850 60 Q CB -0.168 28.593 28.738 0.038 0.000 0.901 60 Q HN 0.257 nan 8.270 nan 0.000 0.422 61 A N 0.603 123.442 122.820 0.031 0.000 1.930 61 A HA -0.151 4.112 4.320 -0.095 0.000 0.217 61 A C 1.995 179.594 177.584 0.024 0.000 1.175 61 A CA 1.070 53.123 52.037 0.027 0.000 0.627 61 A CB -0.502 18.512 19.000 0.022 0.000 0.815 61 A HN 0.299 nan 8.150 nan 0.000 0.443 62 I N -1.164 119.418 120.570 0.020 0.000 2.252 62 I HA -0.208 3.905 4.170 -0.095 0.000 0.245 62 I C 2.652 178.780 176.117 0.020 0.000 1.102 62 I CA 1.370 62.678 61.300 0.013 0.000 1.385 62 I CB -0.327 37.673 38.000 0.001 0.000 1.064 62 I HN 0.335 nan 8.210 nan 0.000 0.414 63 R N 1.504 122.023 120.500 0.032 0.000 2.094 63 R HA -0.260 4.023 4.340 -0.095 0.000 0.239 63 R C 2.391 178.720 176.300 0.049 0.000 1.137 63 R CA 2.048 58.179 56.100 0.051 0.000 0.943 63 R CB -0.229 30.119 30.300 0.080 0.000 0.850 63 R HN 0.230 nan 8.270 nan 0.000 0.433 64 K N 0.679 121.106 120.400 0.045 0.000 2.057 64 K HA -0.201 4.062 4.320 -0.095 0.000 0.207 64 K C 2.186 178.804 176.600 0.029 0.000 1.049 64 K CA 1.639 57.951 56.287 0.041 0.000 0.931 64 K CB -0.113 32.411 32.500 0.039 0.000 0.714 64 K HN 0.068 nan 8.250 nan 0.000 0.440 65 K N 0.577 120.991 120.400 0.024 0.000 2.032 65 K HA -0.130 4.133 4.320 -0.095 0.000 0.209 65 K C 1.951 178.557 176.600 0.009 0.000 1.048 65 K CA 1.646 57.943 56.287 0.016 0.000 0.927 65 K CB -0.047 32.462 32.500 0.015 0.000 0.712 65 K HN 0.036 nan 8.250 nan 0.000 0.441 66 V N 1.498 121.418 119.914 0.010 0.000 2.295 66 V HA -0.225 3.838 4.120 -0.095 0.000 0.246 66 V C 2.641 178.728 176.094 -0.012 0.000 1.049 66 V CA 2.006 64.307 62.300 0.002 0.000 1.024 66 V CB -0.656 31.172 31.823 0.008 0.000 0.648 66 V HN 0.421 nan 8.190 nan 0.000 0.447 67 R N 0.116 120.616 120.500 -0.000 0.000 2.096 67 R HA -0.243 4.040 4.340 -0.095 0.000 0.240 67 R C 2.314 178.594 176.300 -0.034 0.000 1.139 67 R CA 2.332 58.423 56.100 -0.016 0.000 0.952 67 R CB -0.246 30.070 30.300 0.027 0.000 0.854 67 R HN 0.640 nan 8.270 nan 0.000 0.436 68 E N -0.523 119.673 120.200 -0.007 0.000 2.072 68 E HA -0.206 4.087 4.350 -0.095 0.000 0.191 68 E C 1.970 178.558 176.600 -0.021 0.000 0.985 68 E CA 1.172 57.569 56.400 -0.004 0.000 0.801 68 E CB -0.178 29.530 29.700 0.012 0.000 0.750 68 E HN 0.366 nan 8.360 nan 0.000 0.452 69 C N 0.624 119.911 119.300 -0.022 0.000 2.491 69 C HA 0.028 4.431 4.460 -0.095 0.000 0.277 69 C C 2.073 177.031 174.990 -0.054 0.000 1.455 69 C CA 0.336 59.337 59.018 -0.028 0.000 1.758 69 C CB -0.749 26.980 27.740 -0.017 0.000 1.745 69 C HN 0.395 nan 8.230 nan 0.000 0.558 70 M N -0.681 118.872 119.600 -0.079 0.000 2.691 70 M HA 0.089 4.512 4.480 -0.095 0.000 0.261 70 M C 1.968 178.169 176.300 -0.165 0.000 1.227 70 M CA 1.073 56.297 55.300 -0.126 0.000 1.197 70 M CB -1.124 31.383 32.600 -0.155 0.000 1.294 70 M HN 0.365 nan 8.290 nan 0.000 0.508 71 E N 0.253 120.354 120.200 -0.166 0.000 2.338 71 E HA -0.194 4.099 4.350 -0.095 0.000 0.197 71 E C 1.835 178.415 176.600 -0.034 0.000 1.007 71 E CA 0.919 57.241 56.400 -0.130 0.000 0.849 71 E CB 0.160 29.825 29.700 -0.058 0.000 0.774 71 E HN 0.305 nan 8.360 nan 0.000 0.506 72 K N 0.704 121.084 120.400 -0.034 0.000 2.121 72 K HA -0.029 4.234 4.320 -0.095 0.000 0.203 72 K C 1.801 178.389 176.600 -0.020 0.000 1.041 72 K CA 0.881 57.162 56.287 -0.011 0.000 0.969 72 K CB 0.450 32.946 32.500 -0.006 0.000 0.799 72 K HN -0.142 nan 8.250 nan 0.000 0.456 73 E N -0.224 119.949 120.200 -0.045 0.000 2.307 73 E HA 0.034 4.327 4.350 -0.095 0.000 0.195 73 E C 1.815 178.359 176.600 -0.094 0.000 0.975 73 E CA 0.604 56.967 56.400 -0.061 0.000 0.878 73 E CB 0.760 30.416 29.700 -0.074 0.000 0.845 73 E HN 0.139 nan 8.360 nan 0.000 0.488 74 V N 0.997 120.851 119.914 -0.101 0.000 2.690 74 V HA 0.084 4.147 4.120 -0.095 0.000 0.240 74 V C 2.330 178.388 176.094 -0.061 0.000 1.078 74 V CA 1.132 63.362 62.300 -0.117 0.000 1.102 74 V CB -0.353 31.389 31.823 -0.137 0.000 0.800 74 V HN 0.145 nan 8.190 nan 0.000 0.479 75 A N 1.224 124.010 122.820 -0.056 0.000 1.927 75 A HA -0.187 4.076 4.320 -0.095 0.000 0.220 75 A C 0.415 178.031 177.584 0.054 0.000 1.185 75 A CA 2.610 54.654 52.037 0.013 0.000 0.639 75 A CB -1.942 17.080 19.000 0.036 0.000 0.820 75 A HN 0.555 nan 8.150 nan 0.000 0.451 76 P HA -0.092 nan 4.420 nan 0.000 0.215 76 P C 1.376 178.715 177.300 0.066 0.000 1.157 76 P CA 1.352 64.482 63.100 0.049 0.000 0.859 76 P CB -0.238 31.489 31.700 0.045 0.000 0.786 77 I N -3.271 117.347 120.570 0.080 0.000 3.059 77 I HA -0.034 4.079 4.170 -0.095 0.000 0.270 77 I C 2.226 178.468 176.117 0.209 0.000 1.238 77 I CA 0.901 62.301 61.300 0.167 0.000 1.478 77 I CB -1.589 36.540 38.000 0.214 0.000 1.097 77 I HN -0.160 nan 8.210 nan 0.000 0.455 78 M N 0.226 119.893 119.600 0.110 0.000 2.149 78 M HA -0.115 4.308 4.480 -0.095 0.000 0.261 78 M C 2.006 178.412 176.300 0.176 0.000 1.064 78 M CA 2.284 57.656 55.300 0.120 0.000 1.102 78 M CB -1.852 30.778 32.600 0.051 0.000 1.369 78 M HN 0.184 nan 8.290 nan 0.000 0.408 79 T N 0.619 115.243 114.554 0.116 0.000 2.684 79 T HA -0.193 4.100 4.350 -0.095 0.000 0.267 79 T C 1.750 176.541 174.700 0.152 0.000 1.036 79 T CA 2.037 64.196 62.100 0.099 0.000 1.148 79 T CB -0.365 68.520 68.868 0.028 0.000 0.863 79 T HN 0.606 nan 8.240 nan 0.000 0.436 80 E N -0.120 120.148 120.200 0.114 0.000 2.028 80 E HA -0.138 4.155 4.350 -0.095 0.000 0.191 80 E C 1.858 178.465 176.600 0.011 0.000 0.988 80 E CA 1.088 57.504 56.400 0.026 0.000 0.799 80 E CB -0.186 29.475 29.700 -0.066 0.000 0.755 80 E HN 0.624 nan 8.360 nan 0.000 0.447 81 Y N -1.373 118.981 120.300 0.090 0.000 2.439 81 Y HA -0.142 4.352 4.550 -0.093 0.000 0.292 81 Y C 1.849 177.816 175.900 0.112 0.000 1.130 81 Y CA 0.949 59.089 58.100 0.067 0.000 1.254 81 Y CB -0.176 38.284 38.460 -0.000 0.000 1.000 81 Y HN 0.297 nan 8.280 nan 0.000 0.554 82 W N 1.199 122.572 121.300 0.121 0.000 2.409 82 W HA -0.134 4.468 4.660 -0.096 0.000 0.299 82 W C 2.450 179.009 176.519 0.066 0.000 1.203 82 W CA 1.959 59.357 57.345 0.088 0.000 1.298 82 W CB -0.148 29.358 29.460 0.077 0.000 1.127 82 W HN 0.083 nan 8.180 nan 0.000 0.528 83 E N 0.766 121.137 120.200 0.285 0.000 2.051 83 E HA -0.224 4.069 4.350 -0.095 0.000 0.192 83 E C 1.886 178.480 176.600 -0.010 0.000 0.991 83 E CA 1.799 58.280 56.400 0.134 0.000 0.799 83 E CB -0.344 29.444 29.700 0.147 0.000 0.748 83 E HN -0.046 nan 8.360 nan 0.000 0.449 84 K N -0.183 120.212 120.400 -0.009 0.000 2.439 84 K HA 0.113 4.376 4.320 -0.095 0.000 0.197 84 K C 0.795 177.378 176.600 -0.030 0.000 1.041 84 K CA 0.723 56.990 56.287 -0.032 0.000 0.970 84 K CB -0.032 32.431 32.500 -0.062 0.000 0.773 84 K HN 0.282 nan 8.250 nan 0.000 0.479 85 A N 1.659 124.439 122.820 -0.067 0.000 2.826 85 A HA -0.241 4.022 4.320 -0.095 0.000 0.274 85 A C -0.216 177.390 177.584 0.037 0.000 1.443 85 A CA 1.212 53.198 52.037 -0.085 0.000 0.833 85 A CB -1.948 16.980 19.000 -0.120 0.000 1.023 85 A HN 0.484 nan 8.150 nan 0.000 0.600 86 E N -1.422 118.848 120.200 0.118 0.000 2.214 86 E HA 0.589 4.882 4.350 -0.095 0.000 0.274 86 E C -0.366 176.378 176.600 0.239 0.000 0.977 86 E CA -0.874 55.657 56.400 0.219 0.000 0.827 86 E CB 0.987 30.846 29.700 0.264 0.000 1.130 86 E HN 0.445 nan 8.360 nan 0.000 0.394 87 F N 4.465 124.379 119.950 -0.061 0.000 2.427 87 F HA 0.226 4.695 4.527 -0.096 0.000 0.352 87 F C -1.880 173.571 175.800 -0.581 0.000 1.100 87 F CA -2.353 55.371 58.000 -0.460 0.000 1.191 87 F CB 0.905 39.333 39.000 -0.953 0.000 1.128 87 F HN 0.207 nan 8.300 nan 0.000 0.533 88 P HA 0.097 nan 4.420 nan 0.000 0.247 88 P C 0.235 176.955 177.300 -0.968 0.000 1.756 88 P CA 0.179 62.521 63.100 -1.263 0.000 1.117 88 P CB -0.342 30.491 31.700 -1.445 0.000 1.869 89 F N 1.397 121.164 119.950 -0.306 0.000 2.216 89 F HA -0.191 4.278 4.527 -0.096 0.000 0.300 89 F C 2.599 178.342 175.800 -0.095 0.000 1.085 89 F CA 1.344 59.291 58.000 -0.088 0.000 1.326 89 F CB -0.815 38.184 39.000 -0.001 0.000 1.027 89 F HN 0.439 nan 8.300 nan 0.000 0.497 90 H N -1.165 117.890 119.070 -0.025 0.000 2.563 90 H HA 0.023 4.523 4.556 -0.094 0.000 0.272 90 H C 1.645 176.917 175.328 -0.094 0.000 1.005 90 H CA 0.835 56.862 56.048 -0.034 0.000 1.171 90 H CB -0.560 29.190 29.762 -0.019 0.000 1.351 90 H HN 0.296 nan 8.280 nan 0.000 0.602 91 I N 1.194 121.450 120.570 -0.523 0.000 3.462 91 I HA -0.086 4.027 4.170 -0.095 0.000 0.290 91 I C 2.089 178.074 176.117 -0.220 0.000 1.236 91 I CA 0.452 61.486 61.300 -0.444 0.000 1.418 91 I CB -0.026 37.609 38.000 -0.610 0.000 1.102 91 I HN 0.109 nan 8.210 nan 0.000 0.441 92 T N 2.439 116.905 114.554 -0.146 0.000 2.592 92 T HA -0.161 4.132 4.350 -0.095 0.000 0.267 92 T C -0.407 174.326 174.700 0.055 0.000 1.060 92 T CA 2.168 64.283 62.100 0.025 0.000 1.167 92 T CB -1.582 67.373 68.868 0.144 0.000 0.863 92 T HN 0.267 nan 8.240 nan 0.000 0.431 93 P HA -0.065 nan 4.420 nan 0.000 0.220 93 P C 1.185 178.500 177.300 0.026 0.000 1.148 93 P CA 1.175 64.304 63.100 0.048 0.000 0.803 93 P CB -0.053 31.676 31.700 0.048 0.000 0.782 94 K N -0.140 120.257 120.400 -0.005 0.000 2.148 94 K HA 0.011 4.274 4.320 -0.095 0.000 0.204 94 K C 2.310 178.908 176.600 -0.004 0.000 1.050 94 K CA 0.842 57.119 56.287 -0.016 0.000 0.942 94 K CB -0.791 31.677 32.500 -0.054 0.000 0.724 94 K HN 0.300 nan 8.250 nan 0.000 0.446 95 L N 0.163 121.391 121.223 0.008 0.000 2.109 95 L HA -0.023 4.260 4.340 -0.095 0.000 0.207 95 L C 2.438 179.339 176.870 0.051 0.000 1.086 95 L CA 1.229 56.093 54.840 0.039 0.000 0.760 95 L CB -0.731 41.385 42.059 0.096 0.000 0.910 95 L HN 0.226 nan 8.230 nan 0.000 0.437 96 G N -0.643 108.192 108.800 0.058 0.000 2.598 96 G HA2 -0.070 3.833 3.960 -0.095 0.000 0.215 96 G HA3 -0.070 3.833 3.960 -0.095 0.000 0.215 96 G C 1.594 176.521 174.900 0.044 0.000 1.131 96 G CA 0.676 45.809 45.100 0.055 0.000 0.785 96 G HN 0.434 nan 8.290 nan 0.000 0.539 97 A N 0.365 123.206 122.820 0.034 0.000 2.072 97 A HA 0.301 4.564 4.320 -0.095 0.000 0.216 97 A C 2.285 179.882 177.584 0.022 0.000 1.156 97 A CA 0.629 52.682 52.037 0.027 0.000 0.701 97 A CB -0.181 18.831 19.000 0.021 0.000 0.816 97 A HN 0.366 nan 8.150 nan 0.000 0.458 98 M N -0.998 118.615 119.600 0.021 0.000 2.319 98 M HA 0.083 4.506 4.480 -0.095 0.000 0.265 98 M C 1.315 177.627 176.300 0.019 0.000 1.068 98 M CA 1.065 56.375 55.300 0.017 0.000 1.118 98 M CB -0.238 32.371 32.600 0.015 0.000 1.395 98 M HN 0.617 nan 8.290 nan 0.000 0.435 99 G N 0.811 109.626 108.800 0.025 0.000 2.341 99 G HA2 -0.141 3.762 3.960 -0.095 0.000 0.278 99 G HA3 -0.141 3.762 3.960 -0.095 0.000 0.278 99 G C 0.177 175.090 174.900 0.021 0.000 1.111 99 G CA 0.064 45.179 45.100 0.026 0.000 0.982 99 G HN 0.308 nan 8.290 nan 0.000 0.502 100 V N -0.543 119.386 119.914 0.025 0.000 3.359 100 V HA 0.532 4.595 4.120 -0.095 0.000 0.245 100 V C 1.927 178.035 176.094 0.025 0.000 1.247 100 V CA 1.107 63.417 62.300 0.016 0.000 1.145 100 V CB 0.028 31.860 31.823 0.014 0.000 0.906 100 V HN 1.444 nan 8.190 nan 0.000 0.464 101 A N 0.755 123.603 122.820 0.047 0.000 2.524 101 A HA 0.479 4.742 4.320 -0.095 0.000 0.250 101 A C 1.530 179.160 177.584 0.077 0.000 1.078 101 A CA 1.120 53.208 52.037 0.084 0.000 0.761 101 A CB -0.552 18.517 19.000 0.114 0.000 1.012 101 A HN 1.283 nan 8.150 nan 0.000 0.500 102 G N 1.823 110.657 108.800 0.056 0.000 2.956 102 G HA2 0.052 3.955 3.960 -0.095 0.000 0.210 102 G HA3 0.052 3.955 3.960 -0.095 0.000 0.210 102 G C 1.873 176.776 174.900 0.005 0.000 1.316 102 G CA 1.060 46.177 45.100 0.029 0.000 0.819 102 G HN 2.673 nan 8.290 nan 0.000 0.544 103 G N 0.225 109.028 108.800 0.005 0.000 3.284 103 G HA2 -0.346 3.557 3.960 -0.095 0.000 0.351 103 G HA3 -0.346 3.557 3.960 -0.095 0.000 0.351 103 G C 1.697 176.586 174.900 -0.017 0.000 1.232 103 G CA 2.656 47.745 45.100 -0.018 0.000 1.001 103 G HN 1.814 nan 8.290 nan 0.000 0.639 104 S N 0.904 116.587 115.700 -0.029 0.000 2.428 104 S HA 0.196 4.609 4.470 -0.095 0.000 0.230 104 S C 1.343 175.953 174.600 0.016 0.000 1.014 104 S CA 0.750 58.941 58.200 -0.014 0.000 0.957 104 S CB -0.130 63.051 63.200 -0.031 0.000 0.784 104 S HN 0.499 nan 8.310 nan 0.000 0.499 105 I N 2.709 123.293 120.570 0.023 0.000 2.598 105 I HA 0.012 4.125 4.170 -0.095 0.000 0.284 105 I C 0.385 176.551 176.117 0.082 0.000 1.140 105 I CA 0.186 61.524 61.300 0.064 0.000 1.420 105 I CB 0.322 38.366 38.000 0.072 0.000 1.387 105 I HN -0.106 nan 8.210 nan 0.000 0.553 106 K N 5.445 125.902 120.400 0.095 0.000 2.183 106 K HA 0.536 4.799 4.320 -0.095 0.000 0.274 106 K C 0.449 177.068 176.600 0.032 0.000 1.009 106 K CA 0.061 56.379 56.287 0.051 0.000 0.888 106 K CB 1.524 34.038 32.500 0.023 0.000 1.078 106 K HN 0.919 nan 8.250 nan 0.000 0.459 107 G N 1.915 110.687 108.800 -0.047 0.000 2.693 107 G HA2 -0.322 3.581 3.960 -0.095 0.000 0.226 107 G HA3 -0.322 3.581 3.960 -0.095 0.000 0.226 107 G C -0.506 174.354 174.900 -0.067 0.000 1.354 107 G CA 0.002 44.983 45.100 -0.199 0.000 0.873 107 G HN 0.690 nan 8.290 nan 0.000 0.562 108 Y N -1.374 118.929 120.300 0.007 0.000 3.491 108 Y HA -0.074 4.474 4.550 -0.003 0.000 0.215 108 Y C 2.247 178.157 175.900 0.017 0.000 1.219 108 Y CA 1.982 60.088 58.100 0.010 0.000 1.485 108 Y CB -1.731 36.737 38.460 0.013 0.000 1.450 108 Y HN 2.694 nan 8.280 nan 0.000 0.603 109 G N -2.055 106.799 108.800 0.090 0.000 2.153 109 G HA2 -0.336 3.567 3.960 -0.095 0.000 0.252 109 G HA3 -0.336 3.567 3.960 -0.095 0.000 0.252 109 G C 0.135 175.081 174.900 0.077 0.000 0.994 109 G CA -0.038 45.105 45.100 0.073 0.000 0.698 109 G HN 0.678 nan 8.290 nan 0.000 0.521 110 C N 0.504 119.854 119.300 0.084 0.000 2.365 110 C HA 0.597 5.000 4.460 -0.095 0.000 0.349 110 C C 0.375 175.392 174.990 0.044 0.000 1.191 110 C CA -0.668 58.394 59.018 0.072 0.000 2.114 110 C CB 1.482 29.277 27.740 0.091 0.000 2.367 110 C HN 0.357 nan 8.230 nan 0.000 0.530 111 P HA 0.001 nan 4.420 nan 0.000 0.218 111 P C 0.764 178.071 177.300 0.013 0.000 1.148 111 P CA 1.966 65.078 63.100 0.021 0.000 0.822 111 P CB -0.005 31.706 31.700 0.017 0.000 0.784 112 G N 0.249 109.058 108.800 0.016 0.000 2.368 112 G HA2 -0.201 3.702 3.960 -0.095 0.000 0.290 112 G HA3 -0.201 3.702 3.960 -0.095 0.000 0.290 112 G C -0.201 174.700 174.900 0.001 0.000 1.098 112 G CA -0.194 44.912 45.100 0.011 0.000 1.073 112 G HN 0.283 nan 8.290 nan 0.000 0.511 113 L N 0.366 121.586 121.223 -0.005 0.000 2.416 113 L HA 0.649 4.932 4.340 -0.095 0.000 0.262 113 L C 1.457 178.315 176.870 -0.020 0.000 1.093 113 L CA -0.440 54.389 54.840 -0.017 0.000 0.801 113 L CB 1.252 43.292 42.059 -0.031 0.000 1.191 113 L HN 0.511 nan 8.230 nan 0.000 0.459 114 S N 0.170 115.855 115.700 -0.025 0.000 2.603 114 S HA 0.109 4.522 4.470 -0.095 0.000 0.268 114 S C 0.883 175.451 174.600 -0.054 0.000 1.317 114 S CA -0.617 57.569 58.200 -0.023 0.000 1.012 114 S CB 1.127 64.315 63.200 -0.020 0.000 0.926 114 S HN 0.577 nan 8.310 nan 0.000 0.539 115 I N 1.862 122.414 120.570 -0.031 0.000 2.264 115 I HA -0.152 3.961 4.170 -0.095 0.000 0.248 115 I C 2.178 178.176 176.117 -0.198 0.000 1.111 115 I CA 1.947 63.195 61.300 -0.087 0.000 1.382 115 I CB -0.909 37.109 38.000 0.029 0.000 1.060 115 I HN 0.892 nan 8.210 nan 0.000 0.418 116 T N 0.716 115.174 114.554 -0.159 0.000 2.777 116 T HA -0.068 4.225 4.350 -0.095 0.000 0.266 116 T C 1.972 176.507 174.700 -0.276 0.000 1.040 116 T CA 1.319 63.287 62.100 -0.221 0.000 1.141 116 T CB -0.608 68.216 68.868 -0.073 0.000 0.868 116 T HN 0.505 nan 8.240 nan 0.000 0.444 117 A N 1.800 124.521 122.820 -0.164 0.000 1.898 117 A HA -0.083 4.180 4.320 -0.095 0.000 0.216 117 A C 2.170 179.644 177.584 -0.184 0.000 1.181 117 A CA 1.570 53.525 52.037 -0.137 0.000 0.620 117 A CB -0.871 18.088 19.000 -0.068 0.000 0.819 117 A HN 0.590 nan 8.150 nan 0.000 0.442 118 N N -0.441 118.144 118.700 -0.191 0.000 2.309 118 N HA -0.058 4.625 4.740 -0.095 0.000 0.182 118 N C 1.780 177.116 175.510 -0.290 0.000 1.018 118 N CA 0.784 53.721 53.050 -0.188 0.000 0.876 118 N CB -0.121 38.276 38.487 -0.150 0.000 0.972 118 N HN 0.451 nan 8.380 nan 0.000 0.434 119 A N 0.812 123.331 122.820 -0.503 0.000 1.874 119 A HA -0.035 4.228 4.320 -0.095 0.000 0.214 119 A C 1.992 179.028 177.584 -0.914 0.000 1.189 119 A CA 0.517 52.016 52.037 -0.896 0.000 0.615 119 A CB -0.420 17.606 19.000 -1.623 0.000 0.830 119 A HN 0.319 nan 8.150 nan 0.000 0.443 120 I N -0.126 119.956 120.570 -0.813 0.000 2.614 120 I HA -0.123 3.990 4.170 -0.095 0.000 0.258 120 I C 2.447 178.497 176.117 -0.112 0.000 1.189 120 I CA 1.081 62.147 61.300 -0.391 0.000 1.462 120 I CB -0.151 37.742 38.000 -0.178 0.000 1.092 120 I HN 0.291 nan 8.210 nan 0.000 0.442 121 A N -0.695 122.042 122.820 -0.138 0.000 1.873 121 A HA -0.176 4.087 4.320 -0.095 0.000 0.215 121 A C 2.328 179.905 177.584 -0.012 0.000 1.186 121 A CA 2.273 54.279 52.037 -0.053 0.000 0.616 121 A CB -1.321 17.642 19.000 -0.061 0.000 0.823 121 A HN 0.422 nan 8.150 nan 0.000 0.442 122 T N 0.673 115.208 114.554 -0.033 0.000 2.720 122 T HA -0.096 4.197 4.350 -0.095 0.000 0.268 122 T C 2.199 176.968 174.700 0.114 0.000 1.037 122 T CA 1.748 63.871 62.100 0.038 0.000 1.144 122 T CB -0.565 68.323 68.868 0.033 0.000 0.864 122 T HN 0.609 nan 8.240 nan 0.000 0.444 123 A N 2.036 124.961 122.820 0.174 0.000 1.865 123 A HA -0.160 4.103 4.320 -0.095 0.000 0.217 123 A C 2.230 179.929 177.584 0.191 0.000 1.191 123 A CA 1.407 53.610 52.037 0.277 0.000 0.623 123 A CB -0.470 18.820 19.000 0.484 0.000 0.826 123 A HN 0.370 nan 8.150 nan 0.000 0.444 124 E N -0.414 119.873 120.200 0.145 0.000 2.472 124 E HA -0.039 4.254 4.350 -0.095 0.000 0.200 124 E C 1.734 178.358 176.600 0.040 0.000 1.046 124 E CA 0.536 56.994 56.400 0.098 0.000 0.871 124 E CB -0.212 29.536 29.700 0.080 0.000 0.806 124 E HN 0.776 nan 8.360 nan 0.000 0.533 125 I N 0.407 121.008 120.570 0.052 0.000 2.364 125 I HA -0.082 4.031 4.170 -0.095 0.000 0.241 125 I C 2.389 178.536 176.117 0.050 0.000 1.082 125 I CA 0.721 62.041 61.300 0.032 0.000 1.401 125 I CB -0.329 37.703 38.000 0.053 0.000 1.126 125 I HN -0.055 nan 8.210 nan 0.000 0.429 126 A N 1.121 123.999 122.820 0.097 0.000 2.076 126 A HA -0.240 4.023 4.320 -0.095 0.000 0.220 126 A C 2.418 180.075 177.584 0.121 0.000 1.160 126 A CA 1.575 53.684 52.037 0.119 0.000 0.653 126 A CB -0.765 18.322 19.000 0.146 0.000 0.801 126 A HN 0.385 nan 8.150 nan 0.000 0.455 127 R N -0.211 120.361 120.500 0.121 0.000 2.083 127 R HA -0.123 4.160 4.340 -0.095 0.000 0.237 127 R C 1.748 178.136 176.300 0.147 0.000 1.137 127 R CA 2.260 58.455 56.100 0.158 0.000 0.951 127 R CB -0.436 29.958 30.300 0.156 0.000 0.851 127 R HN 0.318 nan 8.270 nan 0.000 0.434 128 V N 0.006 119.875 119.914 -0.076 0.000 2.379 128 V HA -0.039 4.024 4.120 -0.095 0.000 0.243 128 V C 0.374 176.456 176.094 -0.020 0.000 1.035 128 V CA 1.462 63.595 62.300 -0.279 0.000 1.035 128 V CB -0.247 31.253 31.823 -0.539 0.000 0.673 128 V HN 0.401 nan 8.190 nan 0.000 0.457 129 D N -2.001 118.399 120.400 0.001 0.000 2.891 129 D HA 0.534 5.117 4.640 -0.095 0.000 0.224 129 D C 0.392 176.747 176.300 0.093 0.000 1.321 129 D CA 0.222 54.250 54.000 0.047 0.000 0.929 129 D CB 1.914 42.729 40.800 0.025 0.000 1.551 129 D HN 0.050 nan 8.370 nan 0.000 0.574 130 A N 2.364 125.259 122.820 0.126 0.000 1.968 130 A HA -0.026 4.237 4.320 -0.095 0.000 0.217 130 A C 1.963 179.669 177.584 0.203 0.000 1.169 130 A CA 1.446 53.583 52.037 0.166 0.000 0.638 130 A CB -0.241 18.864 19.000 0.175 0.000 0.812 130 A HN 0.511 nan 8.150 nan 0.000 0.446 131 S N -0.703 115.132 115.700 0.225 0.000 2.351 131 S HA -0.222 4.191 4.470 -0.095 0.000 0.220 131 S C 1.887 176.632 174.600 0.242 0.000 1.035 131 S CA 1.577 59.928 58.200 0.251 0.000 1.031 131 S CB -0.758 62.615 63.200 0.289 0.000 0.928 131 S HN 0.695 nan 8.310 nan 0.000 0.433 132 C N 1.162 120.564 119.300 0.169 0.000 2.419 132 C HA 0.032 4.435 4.460 -0.095 0.000 0.283 132 C C 3.153 178.302 174.990 0.265 0.000 1.373 132 C CA 0.872 60.002 59.018 0.187 0.000 1.781 132 C CB -1.366 26.391 27.740 0.028 0.000 1.886 132 C HN 0.680 nan 8.230 nan 0.000 0.520 133 S N 0.013 115.834 115.700 0.202 0.000 2.371 133 S HA -0.136 4.277 4.470 -0.095 0.000 0.224 133 S C 1.898 176.617 174.600 0.199 0.000 1.029 133 S CA 2.207 60.515 58.200 0.180 0.000 0.978 133 S CB -0.306 62.987 63.200 0.156 0.000 0.833 133 S HN 0.666 nan 8.310 nan 0.000 0.466 134 T N 1.826 116.519 114.554 0.233 0.000 2.777 134 T HA -0.027 4.266 4.350 -0.095 0.000 0.266 134 T C 1.337 176.165 174.700 0.212 0.000 1.040 134 T CA 1.352 63.584 62.100 0.219 0.000 1.141 134 T CB -0.573 68.406 68.868 0.185 0.000 0.868 134 T HN 0.541 nan 8.240 nan 0.000 0.444 135 F N 1.954 121.997 119.950 0.155 0.000 2.063 135 F HA -0.159 4.314 4.527 -0.091 0.000 0.298 135 F C 1.928 177.817 175.800 0.148 0.000 1.109 135 F CA 1.237 59.340 58.000 0.172 0.000 1.212 135 F CB -0.614 38.572 39.000 0.308 0.000 0.973 135 F HN 0.096 nan 8.300 nan 0.000 0.480 136 I N -0.166 120.336 120.570 -0.113 0.000 2.202 136 I HA -0.257 3.856 4.170 -0.095 0.000 0.242 136 I C 2.532 178.599 176.117 -0.083 0.000 1.091 136 I CA 1.319 62.486 61.300 -0.220 0.000 1.368 136 I CB -0.519 37.481 38.000 -0.001 0.000 1.058 136 I HN 0.305 nan 8.210 nan 0.000 0.410 137 L N 0.328 121.550 121.223 -0.002 0.000 2.012 137 L HA -0.233 4.050 4.340 -0.095 0.000 0.210 137 L C 2.500 179.347 176.870 -0.039 0.000 1.073 137 L CA 1.527 56.365 54.840 -0.003 0.000 0.748 137 L CB -0.154 41.938 42.059 0.055 0.000 0.891 137 L HN -0.019 nan 8.230 nan 0.000 0.431 138 V N -0.653 119.254 119.914 -0.012 0.000 2.407 138 V HA -0.332 3.731 4.120 -0.095 0.000 0.248 138 V C 2.383 178.446 176.094 -0.051 0.000 1.055 138 V CA 2.153 64.442 62.300 -0.018 0.000 1.049 138 V CB -0.870 30.976 31.823 0.038 0.000 0.662 138 V HN 0.679 nan 8.190 nan 0.000 0.455 139 H N -0.546 118.403 119.070 -0.203 0.000 2.326 139 H HA -0.114 4.384 4.556 -0.096 0.000 0.301 139 H C 2.535 177.772 175.328 -0.152 0.000 1.081 139 H CA 2.100 58.016 56.048 -0.219 0.000 1.334 139 H CB 0.067 29.581 29.762 -0.413 0.000 1.385 139 H HN 0.362 nan 8.280 nan 0.000 0.504 140 S N -1.381 114.269 115.700 -0.084 0.000 2.384 140 S HA 0.006 4.419 4.470 -0.095 0.000 0.217 140 S C 2.171 176.687 174.600 -0.141 0.000 1.041 140 S CA 0.799 58.944 58.200 -0.093 0.000 0.948 140 S CB -0.284 62.927 63.200 0.019 0.000 0.872 140 S HN 0.463 nan 8.310 nan 0.000 0.512 141 S N 0.884 116.499 115.700 -0.141 0.000 2.461 141 S HA 0.294 4.708 4.470 -0.095 0.000 0.228 141 S C 1.555 175.986 174.600 -0.282 0.000 1.005 141 S CA 0.476 58.566 58.200 -0.184 0.000 0.942 141 S CB -0.069 63.031 63.200 -0.167 0.000 0.776 141 S HN 0.382 nan 8.310 nan 0.000 0.514 142 L N -0.166 120.856 121.223 -0.335 0.000 2.435 142 L HA 0.276 4.559 4.340 -0.095 0.000 0.195 142 L C 2.517 179.163 176.870 -0.373 0.000 1.072 142 L CA 0.660 55.127 54.840 -0.622 0.000 0.833 142 L CB -0.833 40.745 42.059 -0.801 0.000 1.081 142 L HN 0.356 nan 8.230 nan 0.000 0.485 143 G N 0.088 108.793 108.800 -0.159 0.000 2.616 143 G HA2 -0.218 3.685 3.960 -0.095 0.000 0.215 143 G HA3 -0.218 3.685 3.960 -0.095 0.000 0.215 143 G C 1.498 176.329 174.900 -0.115 0.000 1.284 143 G CA 0.561 45.634 45.100 -0.044 0.000 0.823 143 G HN 0.062 nan 8.290 nan 0.000 0.569 144 M N -0.223 119.234 119.600 -0.237 0.000 2.106 144 M HA -0.096 4.327 4.480 -0.095 0.000 0.259 144 M C 2.566 178.797 176.300 -0.116 0.000 1.068 144 M CA 1.219 56.405 55.300 -0.190 0.000 1.100 144 M CB -0.467 32.008 32.600 -0.209 0.000 1.351 144 M HN 0.251 nan 8.290 nan 0.000 0.404 145 L N 0.074 121.227 121.223 -0.116 0.000 2.083 145 L HA -0.133 4.150 4.340 -0.095 0.000 0.209 145 L C 2.326 179.165 176.870 -0.053 0.000 1.083 145 L CA 1.850 56.638 54.840 -0.088 0.000 0.752 145 L CB -0.734 41.255 42.059 -0.117 0.000 0.899 145 L HN 0.208 nan 8.230 nan 0.000 0.433 146 T N -0.128 114.417 114.554 -0.015 0.000 2.720 146 T HA -0.187 4.106 4.350 -0.095 0.000 0.268 146 T C 1.931 176.632 174.700 0.001 0.000 1.037 146 T CA 2.091 64.237 62.100 0.077 0.000 1.144 146 T CB -0.333 68.715 68.868 0.299 0.000 0.864 146 T HN 0.320 nan 8.240 nan 0.000 0.444 147 I N 1.136 121.680 120.570 -0.043 0.000 2.252 147 I HA -0.147 3.966 4.170 -0.095 0.000 0.245 147 I C 2.827 178.880 176.117 -0.107 0.000 1.102 147 I CA 1.028 62.279 61.300 -0.082 0.000 1.385 147 I CB -0.379 37.568 38.000 -0.087 0.000 1.064 147 I HN 0.185 nan 8.210 nan 0.000 0.414 148 A N 0.304 123.059 122.820 -0.107 0.000 2.015 148 A HA -0.068 4.195 4.320 -0.095 0.000 0.219 148 A C 2.200 179.741 177.584 -0.073 0.000 1.163 148 A CA 1.358 53.319 52.037 -0.126 0.000 0.646 148 A CB -0.390 18.565 19.000 -0.074 0.000 0.806 148 A HN 0.420 nan 8.150 nan 0.000 0.448 149 L N -2.405 118.791 121.223 -0.045 0.000 2.467 149 L HA 0.034 4.317 4.340 -0.095 0.000 0.213 149 L C 1.831 178.685 176.870 -0.027 0.000 1.053 149 L CA 0.374 55.201 54.840 -0.022 0.000 0.847 149 L CB 0.178 42.232 42.059 -0.008 0.000 1.075 149 L HN 0.384 nan 8.230 nan 0.000 0.479 150 C N -0.396 118.884 119.300 -0.034 0.000 3.065 150 C HA 0.350 4.753 4.460 -0.095 0.000 0.285 150 C C 1.543 176.489 174.990 -0.074 0.000 1.257 150 C CA -0.621 58.369 59.018 -0.046 0.000 1.691 150 C CB -0.554 27.166 27.740 -0.034 0.000 2.089 150 C HN 0.422 nan 8.230 nan 0.000 0.630 151 G N 1.338 110.090 108.800 -0.080 0.000 2.599 151 G HA2 0.428 4.331 3.960 -0.095 0.000 0.264 151 G HA3 0.428 4.331 3.960 -0.095 0.000 0.264 151 G C 0.137 174.997 174.900 -0.067 0.000 1.200 151 G CA 0.220 45.270 45.100 -0.083 0.000 0.896 151 G HN 0.517 nan 8.290 nan 0.000 0.536 152 S N -0.643 115.028 115.700 -0.049 0.000 2.652 152 S HA 0.267 4.680 4.470 -0.095 0.000 0.270 152 S C 0.966 175.544 174.600 -0.037 0.000 1.243 152 S CA -0.470 57.712 58.200 -0.031 0.000 0.999 152 S CB 1.725 64.916 63.200 -0.014 0.000 0.973 152 S HN 0.565 nan 8.310 nan 0.000 0.544 153 E N 1.105 121.299 120.200 -0.009 0.000 2.160 153 E HA -0.156 4.137 4.350 -0.095 0.000 0.195 153 E C 2.187 178.795 176.600 0.013 0.000 0.991 153 E CA 1.524 57.937 56.400 0.021 0.000 0.810 153 E CB -0.823 28.914 29.700 0.061 0.000 0.742 153 E HN 0.812 nan 8.360 nan 0.000 0.466 154 A N 0.852 123.672 122.820 0.000 0.000 1.968 154 A HA -0.183 4.080 4.320 -0.095 0.000 0.217 154 A C 2.102 179.659 177.584 -0.045 0.000 1.169 154 A CA 1.216 53.245 52.037 -0.013 0.000 0.638 154 A CB -0.285 18.711 19.000 -0.006 0.000 0.812 154 A HN 0.198 nan 8.150 nan 0.000 0.446 155 Q N -0.348 119.440 119.800 -0.019 0.000 2.096 155 Q HA -0.079 4.204 4.340 -0.095 0.000 0.197 155 Q C 1.995 177.995 176.000 -0.001 0.000 0.964 155 Q CA 1.353 57.182 55.803 0.044 0.000 0.838 155 Q CB -0.123 28.693 28.738 0.131 0.000 0.906 155 Q HN 0.624 nan 8.270 nan 0.000 0.444 156 K N 0.738 121.059 120.400 -0.131 0.000 2.032 156 K HA -0.155 4.108 4.320 -0.095 0.000 0.209 156 K C 1.872 178.339 176.600 -0.222 0.000 1.048 156 K CA 1.103 57.173 56.287 -0.362 0.000 0.927 156 K CB 0.007 31.979 32.500 -0.880 0.000 0.712 156 K HN 0.151 nan 8.250 nan 0.000 0.441 157 E N 0.688 120.862 120.200 -0.044 0.000 2.347 157 E HA -0.138 4.155 4.350 -0.095 0.000 0.196 157 E C 1.776 178.365 176.600 -0.019 0.000 1.008 157 E CA 0.776 57.237 56.400 0.102 0.000 0.852 157 E CB 0.213 29.984 29.700 0.118 0.000 0.783 157 E HN 0.278 nan 8.360 nan 0.000 0.505 158 K N -0.373 119.936 120.400 -0.152 0.000 2.141 158 K HA -0.032 4.231 4.320 -0.095 0.000 0.202 158 K C 1.573 177.962 176.600 -0.352 0.000 1.045 158 K CA 0.573 56.656 56.287 -0.340 0.000 0.971 158 K CB 0.192 32.313 32.500 -0.632 0.000 0.795 158 K HN 0.033 nan 8.250 nan 0.000 0.459 159 Y N 0.627 120.921 120.300 -0.010 0.000 2.314 159 Y HA 0.065 4.555 4.550 -0.100 0.000 0.294 159 Y C 2.086 177.988 175.900 0.003 0.000 1.139 159 Y CA 0.091 58.188 58.100 -0.006 0.000 1.162 159 Y CB -0.177 38.266 38.460 -0.028 0.000 1.121 159 Y HN -0.125 nan 8.280 nan 0.000 0.529 160 L N 0.375 121.676 121.223 0.131 0.000 2.034 160 L HA -0.239 4.044 4.340 -0.095 0.000 0.217 160 L C -0.616 176.321 176.870 0.111 0.000 1.077 160 L CA 1.727 56.617 54.840 0.083 0.000 0.769 160 L CB -1.920 40.152 42.059 0.023 0.000 0.890 160 L HN 0.195 nan 8.230 nan 0.000 0.435 161 P HA -0.202 nan 4.420 nan 0.000 0.216 161 P C 1.918 179.280 177.300 0.104 0.000 1.153 161 P CA 1.801 64.965 63.100 0.106 0.000 0.858 161 P CB 0.028 31.780 31.700 0.087 0.000 0.789 162 S N -1.816 113.950 115.700 0.110 0.000 2.414 162 S HA -0.045 4.368 4.470 -0.095 0.000 0.227 162 S C 1.679 176.372 174.600 0.155 0.000 1.022 162 S CA 0.627 58.900 58.200 0.121 0.000 0.958 162 S CB -0.802 62.472 63.200 0.123 0.000 0.797 162 S HN -0.103 nan 8.310 nan 0.000 0.493 163 L N 1.430 122.756 121.223 0.172 0.000 2.156 163 L HA 0.210 4.493 4.340 -0.095 0.000 0.208 163 L C 2.630 179.678 176.870 0.296 0.000 1.095 163 L CA 1.459 56.445 54.840 0.243 0.000 0.770 163 L CB -0.830 41.300 42.059 0.119 0.000 0.914 163 L HN 0.349 nan 8.230 nan 0.000 0.439 164 A N -1.454 121.476 122.820 0.183 0.000 1.968 164 A HA -0.138 4.125 4.320 -0.095 0.000 0.217 164 A C 2.077 179.735 177.584 0.123 0.000 1.169 164 A CA 0.988 53.116 52.037 0.152 0.000 0.638 164 A CB -0.236 18.829 19.000 0.109 0.000 0.812 164 A HN 0.383 nan 8.150 nan 0.000 0.446 165 Q N -1.490 118.379 119.800 0.115 0.000 2.403 165 Q HA 0.183 4.466 4.340 -0.095 0.000 0.203 165 Q C -0.204 175.852 176.000 0.093 0.000 0.932 165 Q CA 0.015 55.873 55.803 0.092 0.000 0.945 165 Q CB 0.347 29.135 28.738 0.083 0.000 1.045 165 Q HN 0.423 nan 8.270 nan 0.000 0.511 166 L N 0.212 121.497 121.223 0.103 0.000 4.040 166 L HA -0.296 3.987 4.340 -0.095 0.000 0.410 166 L C 0.512 177.458 176.870 0.127 0.000 1.187 166 L CA 0.798 55.687 54.840 0.081 0.000 0.956 166 L CB -2.428 39.670 42.059 0.065 0.000 2.022 166 L HN 0.307 nan 8.230 nan 0.000 0.897 167 N N -1.515 117.264 118.700 0.131 0.000 2.354 167 N HA 0.049 4.732 4.740 -0.095 0.000 0.179 167 N C 0.500 176.104 175.510 0.156 0.000 1.021 167 N CA 1.103 54.231 53.050 0.131 0.000 0.887 167 N CB 0.233 38.786 38.487 0.110 0.000 0.974 167 N HN 0.676 nan 8.380 nan 0.000 0.437 168 T N -1.477 113.184 114.554 0.179 0.000 2.876 168 T HA 0.596 4.889 4.350 -0.095 0.000 0.289 168 T C -0.576 174.284 174.700 0.266 0.000 1.014 168 T CA -0.859 61.362 62.100 0.202 0.000 0.986 168 T CB 2.487 71.465 68.868 0.183 0.000 1.021 168 T HN -0.317 nan 8.240 nan 0.000 0.458 169 V N 1.734 121.805 119.914 0.262 0.000 2.459 169 V HA 0.809 4.872 4.120 -0.095 0.000 0.295 169 V C 0.316 176.537 176.094 0.211 0.000 1.029 169 V CA -0.826 61.658 62.300 0.307 0.000 0.874 169 V CB 1.222 33.241 31.823 0.327 0.000 0.985 169 V HN 1.313 nan 8.190 nan 0.000 0.438 170 A N 3.693 126.664 122.820 0.251 0.000 2.330 170 A HA 0.922 5.185 4.320 -0.095 0.000 0.329 170 A C -0.206 177.370 177.584 -0.012 0.000 1.135 170 A CA -0.423 51.615 52.037 0.001 0.000 0.817 170 A CB 1.440 20.349 19.000 -0.151 0.000 1.269 170 A HN 1.363 nan 8.150 nan 0.000 0.469 171 C N -1.702 117.588 119.300 -0.015 0.000 2.994 171 C HA 0.881 5.284 4.460 -0.095 0.000 0.304 171 C C -1.251 173.833 174.990 0.157 0.000 1.273 171 C CA -0.984 58.055 59.018 0.036 0.000 1.537 171 C CB 0.452 28.171 27.740 -0.035 0.000 2.001 171 C HN 0.919 nan 8.230 nan 0.000 0.471 172 W N 2.074 123.374 121.300 -0.000 0.000 2.417 172 W HA 0.635 5.239 4.660 -0.094 0.000 0.315 172 W C -0.237 176.347 176.519 0.109 0.000 1.045 172 W CA -0.435 56.957 57.345 0.078 0.000 1.221 172 W CB 1.809 31.317 29.460 0.080 0.000 1.309 172 W HN 1.114 nan 8.180 nan 0.000 0.453 173 A N 6.768 129.525 122.820 -0.104 0.000 2.802 173 A HA 0.409 4.672 4.320 -0.095 0.000 0.344 173 A C -0.365 177.124 177.584 -0.159 0.000 1.215 173 A CA -0.346 51.645 52.037 -0.076 0.000 0.821 173 A CB 0.367 19.343 19.000 -0.039 0.000 1.099 173 A HN 0.753 nan 8.150 nan 0.000 0.479 174 L N 1.737 122.776 121.223 -0.307 0.000 2.445 174 L HA 0.283 4.566 4.340 -0.095 0.000 0.207 174 L C 0.996 177.774 176.870 -0.152 0.000 1.053 174 L CA 1.499 56.100 54.840 -0.398 0.000 0.841 174 L CB 0.096 41.692 42.059 -0.772 0.000 1.074 174 L HN 0.409 nan 8.230 nan 0.000 0.479 175 T N 1.468 116.000 114.554 -0.037 0.000 2.918 175 T HA 0.282 4.575 4.350 -0.095 0.000 0.302 175 T C -0.247 174.480 174.700 0.044 0.000 1.045 175 T CA -0.146 61.974 62.100 0.034 0.000 1.114 175 T CB 0.701 69.645 68.868 0.127 0.000 0.965 175 T HN 0.243 nan 8.240 nan 0.000 0.540 176 E N 2.059 122.285 120.200 0.044 0.000 2.392 176 E HA 0.262 4.555 4.350 -0.095 0.000 0.269 176 E C -1.891 174.751 176.600 0.071 0.000 0.924 176 E CA -2.327 54.096 56.400 0.038 0.000 0.784 176 E CB 1.766 31.465 29.700 -0.001 0.000 1.292 176 E HN 0.225 nan 8.360 nan 0.000 0.447 177 P HA -0.138 nan 4.420 nan 0.000 0.215 177 P C 0.289 177.621 177.300 0.052 0.000 1.153 177 P CA 1.265 64.403 63.100 0.062 0.000 0.853 177 P CB 0.268 31.982 31.700 0.023 0.000 0.788 178 D N -1.640 118.776 120.400 0.027 0.000 2.149 178 D HA -0.026 4.557 4.640 -0.095 0.000 0.201 178 D C 0.391 176.700 176.300 0.014 0.000 0.972 178 D CA 1.046 55.056 54.000 0.017 0.000 0.835 178 D CB -0.271 40.531 40.800 0.003 0.000 0.966 178 D HN 0.118 nan 8.370 nan 0.000 0.476 179 N N -0.319 118.385 118.700 0.007 0.000 2.483 179 N HA 0.372 5.055 4.740 -0.095 0.000 0.267 179 N C 0.282 175.793 175.510 0.002 0.000 0.998 179 N CA -0.133 52.910 53.050 -0.010 0.000 0.918 179 N CB 2.122 40.580 38.487 -0.048 0.000 1.215 179 N HN 0.097 nan 8.380 nan 0.000 0.500 180 G N 0.658 109.467 108.800 0.015 0.000 2.531 180 G HA2 -0.041 3.862 3.960 -0.095 0.000 0.210 180 G HA3 -0.041 3.862 3.960 -0.095 0.000 0.210 180 G C 1.056 175.965 174.900 0.015 0.000 1.547 180 G CA 0.148 45.266 45.100 0.029 0.000 0.740 180 G HN 0.418 nan 8.290 nan 0.000 0.611 181 S N 0.655 116.370 115.700 0.024 0.000 2.383 181 S HA -0.035 4.378 4.470 -0.095 0.000 0.227 181 S C 1.055 175.674 174.600 0.031 0.000 1.026 181 S CA 0.891 59.115 58.200 0.040 0.000 0.981 181 S CB -0.112 63.119 63.200 0.052 0.000 0.818 181 S HN 0.389 nan 8.310 nan 0.000 0.472 182 D N 1.290 121.694 120.400 0.006 0.000 2.688 182 D HA 0.447 5.030 4.640 -0.095 0.000 0.228 182 D C 0.889 177.122 176.300 -0.112 0.000 1.116 182 D CA -0.060 53.920 54.000 -0.033 0.000 1.023 182 D CB 0.040 40.830 40.800 -0.017 0.000 1.100 182 D HN 0.192 nan 8.370 nan 0.000 0.487 183 A N 0.953 123.674 122.820 -0.166 0.000 1.968 183 A HA -0.123 4.140 4.320 -0.095 0.000 0.217 183 A C 2.171 179.428 177.584 -0.545 0.000 1.169 183 A CA 1.330 53.192 52.037 -0.292 0.000 0.638 183 A CB -0.375 18.476 19.000 -0.249 0.000 0.812 183 A HN 0.472 nan 8.150 nan 0.000 0.446 184 S N -0.806 114.502 115.700 -0.655 0.000 2.507 184 S HA 0.126 4.539 4.470 -0.095 0.000 0.235 184 S C 1.327 175.721 174.600 -0.343 0.000 0.988 184 S CA 0.790 58.552 58.200 -0.730 0.000 0.944 184 S CB -0.384 62.524 63.200 -0.487 0.000 0.762 184 S HN 0.689 nan 8.310 nan 0.000 0.526 185 G N 2.132 110.790 108.800 -0.236 0.000 3.820 185 G HA2 0.495 4.398 3.960 -0.095 0.000 0.293 185 G HA3 0.495 4.398 3.960 -0.095 0.000 0.293 185 G C 0.193 175.025 174.900 -0.113 0.000 1.152 185 G CA -0.763 44.255 45.100 -0.136 0.000 0.921 185 G HN 0.611 nan 8.290 nan 0.000 0.544 186 L N -2.379 118.758 121.223 -0.144 0.000 2.479 186 L HA 0.733 5.016 4.340 -0.095 0.000 0.270 186 L C 0.968 177.800 176.870 -0.063 0.000 1.236 186 L CA 0.005 54.784 54.840 -0.102 0.000 0.823 186 L CB 0.993 42.980 42.059 -0.119 0.000 1.098 186 L HN -0.054 nan 8.230 nan 0.000 0.500 187 G N -0.045 108.727 108.800 -0.046 0.000 3.519 187 G HA2 0.147 4.050 3.960 -0.095 0.000 0.269 187 G HA3 0.147 4.050 3.960 -0.095 0.000 0.269 187 G C 0.254 175.135 174.900 -0.031 0.000 1.028 187 G CA -0.092 44.988 45.100 -0.033 0.000 0.809 187 G HN 0.623 nan 8.290 nan 0.000 0.521 188 T N 2.414 116.945 114.554 -0.037 0.000 2.752 188 T HA 0.399 4.692 4.350 -0.095 0.000 0.295 188 T C 0.669 175.338 174.700 -0.053 0.000 0.923 188 T CA 0.065 62.136 62.100 -0.048 0.000 1.112 188 T CB 0.964 69.798 68.868 -0.056 0.000 0.884 188 T HN 0.302 nan 8.240 nan 0.000 0.525 189 T N 0.298 114.820 114.554 -0.054 0.000 2.909 189 T HA 0.639 4.932 4.350 -0.095 0.000 0.286 189 T C 0.043 174.689 174.700 -0.089 0.000 1.002 189 T CA -1.103 60.972 62.100 -0.043 0.000 1.074 189 T CB 1.355 70.214 68.868 -0.015 0.000 0.984 189 T HN 0.538 nan 8.240 nan 0.000 0.495 190 A N 3.053 125.836 122.820 -0.063 0.000 2.802 190 A HA 0.565 4.828 4.320 -0.095 0.000 0.344 190 A C 0.598 178.299 177.584 0.196 0.000 1.215 190 A CA -0.973 50.999 52.037 -0.107 0.000 0.821 190 A CB -0.434 18.370 19.000 -0.327 0.000 1.099 190 A HN 0.983 nan 8.150 nan 0.000 0.479 191 T N -0.360 114.287 114.554 0.155 0.000 2.814 191 T HA 0.378 4.671 4.350 -0.095 0.000 0.297 191 T C 0.039 174.866 174.700 0.211 0.000 0.956 191 T CA -0.454 61.752 62.100 0.176 0.000 1.123 191 T CB 0.965 69.881 68.868 0.080 0.000 0.902 191 T HN 0.471 nan 8.240 nan 0.000 0.528 192 K N 2.440 122.906 120.400 0.109 0.000 2.339 192 K HA 0.459 4.722 4.320 -0.095 0.000 0.286 192 K C -0.661 175.833 176.600 -0.176 0.000 1.050 192 K CA -0.431 55.703 56.287 -0.255 0.000 0.956 192 K CB 0.386 32.647 32.500 -0.399 0.000 0.990 192 K HN 0.572 nan 8.250 nan 0.000 0.475 193 V N 2.931 122.723 119.914 -0.204 0.000 3.158 193 V HA 0.336 4.399 4.120 -0.095 0.000 0.315 193 V C -0.811 175.224 176.094 -0.099 0.000 1.148 193 V CA -0.981 61.272 62.300 -0.078 0.000 1.042 193 V CB 1.844 33.696 31.823 0.048 0.000 1.101 193 V HN 0.947 nan 8.190 nan 0.000 0.448 194 E N 1.085 121.264 120.200 -0.035 0.000 2.328 194 E HA 0.343 4.636 4.350 -0.095 0.000 0.265 194 E C 0.872 177.495 176.600 0.037 0.000 1.057 194 E CA 0.996 57.379 56.400 -0.029 0.000 0.916 194 E CB 0.256 29.941 29.700 -0.025 0.000 0.993 194 E HN 1.208 nan 8.360 nan 0.000 0.446 195 G N 2.749 111.555 108.800 0.010 0.000 2.199 195 G HA2 -0.244 3.659 3.960 -0.095 0.000 0.254 195 G HA3 -0.244 3.659 3.960 -0.095 0.000 0.254 195 G C 0.433 175.402 174.900 0.115 0.000 0.982 195 G CA 0.040 45.196 45.100 0.093 0.000 0.632 195 G HN 1.080 nan 8.290 nan 0.000 0.529 196 G N -1.821 106.960 108.800 -0.031 0.000 2.485 196 G HA2 0.514 4.417 3.960 -0.095 0.000 0.182 196 G HA3 0.514 4.417 3.960 -0.095 0.000 0.182 196 G C -1.592 172.987 174.900 -0.535 0.000 1.172 196 G CA 0.001 44.924 45.100 -0.296 0.000 0.996 196 G HN 0.792 nan 8.290 nan 0.000 0.496 197 W N 0.033 121.178 121.300 -0.259 0.000 2.962 197 W HA 0.763 5.366 4.660 -0.095 0.000 0.341 197 W C -0.456 175.966 176.519 -0.161 0.000 1.155 197 W CA -0.764 56.485 57.345 -0.159 0.000 1.165 197 W CB 1.943 31.288 29.460 -0.191 0.000 1.435 197 W HN 0.080 nan 8.180 nan 0.000 0.546 198 K N 3.105 123.590 120.400 0.142 0.000 2.449 198 K HA 0.360 4.623 4.320 -0.095 0.000 0.257 198 K C -0.786 175.793 176.600 -0.035 0.000 0.989 198 K CA -0.629 55.701 56.287 0.071 0.000 0.916 198 K CB 1.086 33.641 32.500 0.092 0.000 1.136 198 K HN 0.332 nan 8.250 nan 0.000 0.439 199 I N 2.815 123.307 120.570 -0.129 0.000 2.396 199 I HA 0.188 4.301 4.170 -0.095 0.000 0.289 199 I C 0.095 176.144 176.117 -0.114 0.000 1.056 199 I CA -0.198 60.974 61.300 -0.214 0.000 1.365 199 I CB 0.202 38.005 38.000 -0.328 0.000 1.407 199 I HN 0.293 nan 8.210 nan 0.000 0.509 200 N N 4.853 123.495 118.700 -0.096 0.000 2.346 200 N HA 0.764 5.447 4.740 -0.095 0.000 0.289 200 N C 0.023 175.498 175.510 -0.058 0.000 1.027 200 N CA -0.208 52.807 53.050 -0.058 0.000 0.864 200 N CB 2.876 41.344 38.487 -0.033 0.000 1.370 200 N HN 0.931 nan 8.380 nan 0.000 0.481 201 G N 0.543 109.314 108.800 -0.049 0.000 2.343 201 G HA2 0.090 3.993 3.960 -0.095 0.000 0.289 201 G HA3 0.090 3.993 3.960 -0.095 0.000 0.289 201 G C -2.100 172.776 174.900 -0.040 0.000 1.295 201 G CA -0.645 44.429 45.100 -0.043 0.000 0.869 201 G HN 0.443 nan 8.290 nan 0.000 0.522 202 Q N -0.362 119.418 119.800 -0.034 0.000 2.397 202 Q HA 0.653 4.936 4.340 -0.095 0.000 0.275 202 Q C -1.183 174.801 176.000 -0.026 0.000 1.090 202 Q CA -0.943 54.842 55.803 -0.031 0.000 0.809 202 Q CB 1.853 30.575 28.738 -0.026 0.000 1.362 202 Q HN 0.385 nan 8.270 nan 0.000 0.431 203 K N 2.209 122.593 120.400 -0.026 0.000 2.435 203 K HA 0.568 4.831 4.320 -0.095 0.000 0.251 203 K C -1.197 175.395 176.600 -0.013 0.000 0.954 203 K CA -0.708 55.572 56.287 -0.011 0.000 0.820 203 K CB 2.474 34.966 32.500 -0.014 0.000 1.292 203 K HN 0.645 nan 8.250 nan 0.000 0.436 204 R N 0.350 120.866 120.500 0.027 0.000 2.604 204 R HA 0.275 4.558 4.340 -0.095 0.000 0.281 204 R C -0.871 175.523 176.300 0.158 0.000 1.020 204 R CA -0.193 55.900 56.100 -0.011 0.000 0.899 204 R CB 0.903 31.181 30.300 -0.037 0.000 1.205 204 R HN 0.807 nan 8.270 nan 0.000 0.450 205 W N 2.188 123.488 121.300 0.001 0.000 1.266 205 W HA -0.192 4.411 4.660 -0.096 0.000 0.245 205 W C -0.525 175.992 176.519 -0.004 0.000 1.005 205 W CA -0.312 57.033 57.345 -0.000 0.000 0.396 205 W CB -1.366 28.102 29.460 0.012 0.000 2.016 205 W HN 0.389 nan 8.180 nan 0.000 1.120 206 I N 1.822 122.492 120.570 0.166 0.000 2.581 206 I HA 0.295 4.408 4.170 -0.095 0.000 0.285 206 I C 1.469 177.628 176.117 0.070 0.000 1.129 206 I CA 1.036 62.406 61.300 0.117 0.000 1.397 206 I CB -0.114 37.923 38.000 0.062 0.000 1.399 206 I HN 0.028 nan 8.210 nan 0.000 0.537 207 G N 4.508 113.354 108.800 0.077 0.000 2.406 207 G HA2 0.246 4.149 3.960 -0.095 0.000 0.251 207 G HA3 0.246 4.149 3.960 -0.095 0.000 0.251 207 G C 0.639 175.510 174.900 -0.049 0.000 1.271 207 G CA -0.243 44.883 45.100 0.043 0.000 0.859 207 G HN 0.783 nan 8.290 nan 0.000 0.540 208 N N -0.071 118.538 118.700 -0.152 0.000 2.967 208 N HA -0.314 4.369 4.740 -0.095 0.000 0.218 208 N C 1.972 177.074 175.510 -0.681 0.000 0.870 208 N CA 1.827 54.500 53.050 -0.628 0.000 1.030 208 N CB -1.420 36.784 38.487 -0.472 0.000 1.027 208 N HN 0.807 nan 8.380 nan 0.000 0.603 209 S N -0.110 115.422 115.700 -0.280 0.000 2.392 209 S HA -0.236 4.177 4.470 -0.095 0.000 0.232 209 S C 1.979 176.492 174.600 -0.147 0.000 1.041 209 S CA 2.349 60.444 58.200 -0.175 0.000 1.026 209 S CB -1.184 61.970 63.200 -0.076 0.000 0.845 209 S HN 0.652 nan 8.310 nan 0.000 0.465 210 T N -0.656 113.841 114.554 -0.095 0.000 3.007 210 T HA 0.039 4.332 4.350 -0.095 0.000 0.270 210 T C 1.155 175.950 174.700 0.158 0.000 1.107 210 T CA 0.918 63.050 62.100 0.055 0.000 1.118 210 T CB -0.751 68.205 68.868 0.147 0.000 0.889 210 T HN 0.808 nan 8.240 nan 0.000 0.506 211 F N -0.303 119.686 119.950 0.065 0.000 2.915 211 F HA 0.802 5.271 4.527 -0.096 0.000 0.347 211 F C 0.421 176.274 175.800 0.089 0.000 1.104 211 F CA -1.703 56.350 58.000 0.089 0.000 1.126 211 F CB -0.187 38.922 39.000 0.183 0.000 1.145 211 F HN 0.165 nan 8.300 nan 0.000 0.541 212 A N 1.272 123.930 122.820 -0.270 0.000 2.477 212 A HA 0.301 4.564 4.320 -0.095 0.000 0.246 212 A C 0.441 178.023 177.584 -0.004 0.000 1.078 212 A CA 0.190 52.134 52.037 -0.156 0.000 0.770 212 A CB 0.007 18.880 19.000 -0.211 0.000 1.011 212 A HN 0.454 nan 8.150 nan 0.000 0.494 213 D N 0.636 121.068 120.400 0.053 0.000 2.162 213 D HA 0.115 4.698 4.640 -0.095 0.000 0.203 213 D C -0.208 176.097 176.300 0.008 0.000 0.967 213 D CA 0.951 54.986 54.000 0.059 0.000 0.840 213 D CB -0.058 40.803 40.800 0.102 0.000 0.972 213 D HN 0.343 nan 8.370 nan 0.000 0.482 214 L N 0.645 121.853 121.223 -0.024 0.000 2.322 214 L HA 0.397 4.680 4.340 -0.095 0.000 0.281 214 L C -1.184 175.633 176.870 -0.089 0.000 1.014 214 L CA -0.456 54.327 54.840 -0.096 0.000 0.815 214 L CB 1.794 43.753 42.059 -0.166 0.000 1.247 214 L HN -0.109 nan 8.230 nan 0.000 0.421 215 L N 5.286 126.450 121.223 -0.098 0.000 2.337 215 L HA 0.441 4.724 4.340 -0.095 0.000 0.269 215 L C -0.177 176.628 176.870 -0.109 0.000 1.018 215 L CA 0.076 54.866 54.840 -0.083 0.000 0.876 215 L CB 0.908 42.925 42.059 -0.070 0.000 1.236 215 L HN 0.416 nan 8.230 nan 0.000 0.436 216 I N 4.512 125.021 120.570 -0.101 0.000 2.357 216 I HA 0.115 4.228 4.170 -0.095 0.000 0.300 216 I C 0.002 175.976 176.117 -0.239 0.000 1.159 216 I CA 0.347 61.540 61.300 -0.178 0.000 1.339 216 I CB -0.208 37.737 38.000 -0.090 0.000 1.458 216 I HN 0.438 nan 8.210 nan 0.000 0.577 217 I N 5.757 126.195 120.570 -0.219 0.000 2.331 217 I HA 0.242 4.355 4.170 -0.095 0.000 0.292 217 I C -0.222 175.774 176.117 -0.202 0.000 0.998 217 I CA -0.414 60.795 61.300 -0.151 0.000 1.267 217 I CB 0.835 38.771 38.000 -0.107 0.000 1.386 217 I HN 0.244 nan 8.210 nan 0.000 0.476 218 F N 5.209 125.049 119.950 -0.182 0.000 2.411 218 F HA 0.626 5.094 4.527 -0.097 0.000 0.350 218 F C 0.602 176.364 175.800 -0.063 0.000 1.114 218 F CA -0.134 57.794 58.000 -0.119 0.000 1.135 218 F CB 1.249 40.113 39.000 -0.226 0.000 1.120 218 F HN 0.448 nan 8.300 nan 0.000 0.495 219 A N 3.770 126.686 122.820 0.161 0.000 2.532 219 A HA 0.758 5.021 4.320 -0.095 0.000 0.290 219 A C -0.934 176.699 177.584 0.082 0.000 1.143 219 A CA -1.036 51.029 52.037 0.046 0.000 0.728 219 A CB 1.446 20.348 19.000 -0.164 0.000 1.317 219 A HN 0.704 nan 8.150 nan 0.000 0.414 220 R N 1.579 122.090 120.500 0.020 0.000 2.196 220 R HA 0.141 4.424 4.340 -0.095 0.000 0.340 220 R C -0.373 175.953 176.300 0.044 0.000 1.043 220 R CA -0.456 55.662 56.100 0.031 0.000 0.883 220 R CB 0.279 30.586 30.300 0.010 0.000 1.078 220 R HN 0.749 nan 8.270 nan 0.000 0.462 221 N N 2.952 121.690 118.700 0.063 0.000 2.412 221 N HA -0.082 4.601 4.740 -0.095 0.000 0.279 221 N C 0.703 176.293 175.510 0.133 0.000 1.287 221 N CA 0.461 53.576 53.050 0.109 0.000 0.948 221 N CB 1.014 39.547 38.487 0.076 0.000 1.255 221 N HN 0.676 nan 8.380 nan 0.000 0.485 222 T N 0.225 114.871 114.554 0.154 0.000 2.929 222 T HA -0.125 4.168 4.350 -0.095 0.000 0.271 222 T C 1.514 176.279 174.700 0.107 0.000 1.085 222 T CA 1.540 63.706 62.100 0.110 0.000 1.125 222 T CB -0.183 68.743 68.868 0.097 0.000 0.874 222 T HN 0.400 nan 8.240 nan 0.000 0.494 223 T N 2.292 116.935 114.554 0.149 0.000 2.851 223 T HA -0.030 4.264 4.350 -0.095 0.000 0.262 223 T C 2.331 177.086 174.700 0.093 0.000 1.043 223 T CA 1.637 63.806 62.100 0.116 0.000 1.140 223 T CB -0.568 68.382 68.868 0.138 0.000 0.872 223 T HN 0.763 nan 8.240 nan 0.000 0.446 224 T N -0.809 113.807 114.554 0.104 0.000 3.044 224 T HA 0.154 4.447 4.350 -0.095 0.000 0.250 224 T C 1.018 175.752 174.700 0.057 0.000 1.081 224 T CA 0.092 62.237 62.100 0.075 0.000 1.040 224 T CB -0.247 68.666 68.868 0.076 0.000 0.962 224 T HN 0.278 nan 8.240 nan 0.000 0.506 225 N N 1.210 119.946 118.700 0.059 0.000 2.741 225 N HA -0.141 4.542 4.740 -0.095 0.000 0.250 225 N C -0.775 174.758 175.510 0.037 0.000 1.115 225 N CA 0.691 53.767 53.050 0.043 0.000 0.724 225 N CB -0.629 37.877 38.487 0.031 0.000 1.090 225 N HN 0.586 nan 8.380 nan 0.000 0.558 226 Q N -0.155 119.672 119.800 0.046 0.000 2.418 226 Q HA 0.520 4.803 4.340 -0.095 0.000 0.276 226 Q C 0.033 176.063 176.000 0.050 0.000 1.081 226 Q CA -0.640 55.191 55.803 0.046 0.000 0.864 226 Q CB 1.078 29.843 28.738 0.046 0.000 1.384 226 Q HN 0.217 nan 8.270 nan 0.000 0.467 227 I N 1.456 122.071 120.570 0.075 0.000 2.342 227 I HA 0.216 4.329 4.170 -0.095 0.000 0.291 227 I C -0.239 175.923 176.117 0.074 0.000 1.010 227 I CA -0.039 61.327 61.300 0.110 0.000 1.308 227 I CB 0.473 38.587 38.000 0.189 0.000 1.400 227 I HN 0.320 nan 8.210 nan 0.000 0.488 228 N N 2.789 121.492 118.700 0.004 0.000 2.328 228 N HA 0.747 5.430 4.740 -0.095 0.000 0.299 228 N C -0.314 174.904 175.510 -0.485 0.000 1.179 228 N CA -0.625 52.258 53.050 -0.278 0.000 0.793 228 N CB 1.949 40.112 38.487 -0.541 0.000 1.366 228 N HN 0.707 nan 8.380 nan 0.000 0.493 229 G N 0.242 108.565 108.800 -0.795 0.000 2.348 229 G HA2 0.627 4.530 3.960 -0.095 0.000 0.312 229 G HA3 0.627 4.530 3.960 -0.095 0.000 0.312 229 G C -1.293 172.947 174.900 -1.100 0.000 1.126 229 G CA -0.169 44.347 45.100 -0.972 0.000 0.865 229 G HN 0.333 nan 8.290 nan 0.000 0.474 230 F N 0.918 120.530 119.950 -0.564 0.000 2.547 230 F HA 0.421 4.892 4.527 -0.093 0.000 0.316 230 F C 0.175 175.763 175.800 -0.353 0.000 1.121 230 F CA -0.813 56.936 58.000 -0.419 0.000 0.911 230 F CB 2.357 41.119 39.000 -0.396 0.000 1.179 230 F HN 0.216 nan 8.300 nan 0.000 0.443 231 I N 4.341 124.829 120.570 -0.136 0.000 2.281 231 I HA 0.256 4.369 4.170 -0.095 0.000 0.293 231 I C -0.673 175.370 176.117 -0.123 0.000 1.085 231 I CA -0.508 60.680 61.300 -0.188 0.000 1.257 231 I CB 0.465 38.285 38.000 -0.300 0.000 1.430 231 I HN 0.222 nan 8.210 nan 0.000 0.489 232 V N 7.353 127.201 119.914 -0.110 0.000 2.383 232 V HA 0.266 4.329 4.120 -0.095 0.000 0.275 232 V C 0.562 176.615 176.094 -0.068 0.000 1.036 232 V CA -0.910 61.345 62.300 -0.076 0.000 0.889 232 V CB 1.118 32.896 31.823 -0.075 0.000 0.985 232 V HN 0.544 nan 8.190 nan 0.000 0.459 233 K N 3.317 123.697 120.400 -0.032 0.000 2.168 233 K HA 0.272 4.535 4.320 -0.095 0.000 0.258 233 K C 0.177 176.779 176.600 0.003 0.000 1.010 233 K CA -0.509 55.774 56.287 -0.007 0.000 0.929 233 K CB 0.897 33.419 32.500 0.035 0.000 0.998 233 K HN 0.546 nan 8.250 nan 0.000 0.479 234 K N 1.287 121.697 120.400 0.017 0.000 2.319 234 K HA -0.115 4.148 4.320 -0.095 0.000 0.265 234 K C -0.283 176.335 176.600 0.030 0.000 1.000 234 K CA 0.434 56.735 56.287 0.023 0.000 0.943 234 K CB 0.327 32.852 32.500 0.042 0.000 0.950 234 K HN 0.527 nan 8.250 nan 0.000 0.485 235 D N -0.524 119.892 120.400 0.026 0.000 3.006 235 D HA -0.215 4.368 4.640 -0.095 0.000 0.208 235 D C -0.384 175.932 176.300 0.027 0.000 1.116 235 D CA 1.410 55.426 54.000 0.027 0.000 0.998 235 D CB -1.204 39.615 40.800 0.032 0.000 1.124 235 D HN 0.717 nan 8.370 nan 0.000 0.413 236 A N 0.976 123.814 122.820 0.029 0.000 2.584 236 A HA 0.284 4.547 4.320 -0.095 0.000 0.239 236 A C -1.959 175.645 177.584 0.034 0.000 1.043 236 A CA -0.293 51.767 52.037 0.039 0.000 0.756 236 A CB 0.087 19.110 19.000 0.039 0.000 0.963 236 A HN -0.064 nan 8.150 nan 0.000 0.511 237 P HA 0.241 nan 4.420 nan 0.000 0.261 237 P C 1.089 178.406 177.300 0.028 0.000 1.183 237 P CA 1.815 64.933 63.100 0.030 0.000 0.761 237 P CB 0.547 32.266 31.700 0.030 0.000 0.785 238 G N 1.797 110.606 108.800 0.015 0.000 2.194 238 G HA2 -0.225 3.678 3.960 -0.095 0.000 0.236 238 G HA3 -0.225 3.678 3.960 -0.095 0.000 0.236 238 G C -0.323 174.577 174.900 -0.001 0.000 0.987 238 G CA -0.134 44.971 45.100 0.008 0.000 0.635 238 G HN 0.607 nan 8.290 nan 0.000 0.520 239 L N 0.923 122.147 121.223 0.000 0.000 2.289 239 L HA 0.868 5.151 4.340 -0.095 0.000 0.285 239 L C -0.103 176.763 176.870 -0.007 0.000 1.049 239 L CA -0.698 54.137 54.840 -0.008 0.000 0.804 239 L CB 1.383 43.437 42.059 -0.009 0.000 1.195 239 L HN 0.139 nan 8.230 nan 0.000 0.428 240 K N 4.567 124.960 120.400 -0.013 0.000 2.687 240 K HA 0.719 4.982 4.320 -0.095 0.000 0.249 240 K C -1.687 174.903 176.600 -0.017 0.000 0.994 240 K CA -0.434 55.846 56.287 -0.011 0.000 0.913 240 K CB 1.385 33.878 32.500 -0.011 0.000 1.202 240 K HN 0.779 nan 8.250 nan 0.000 0.460 241 A N 2.804 125.617 122.820 -0.013 0.000 2.267 241 A HA 0.451 4.714 4.320 -0.095 0.000 0.315 241 A C -0.254 177.323 177.584 -0.010 0.000 1.297 241 A CA -0.551 51.475 52.037 -0.018 0.000 0.865 241 A CB 0.604 19.591 19.000 -0.021 0.000 1.165 241 A HN 0.642 nan 8.150 nan 0.000 0.513 242 T N 0.094 114.633 114.554 -0.024 0.000 2.859 242 T HA 0.502 4.795 4.350 -0.095 0.000 0.281 242 T C -0.111 174.568 174.700 -0.034 0.000 1.005 242 T CA -0.843 61.244 62.100 -0.022 0.000 1.025 242 T CB 1.210 70.059 68.868 -0.031 0.000 0.977 242 T HN 0.642 nan 8.240 nan 0.000 0.458 243 K N 2.643 123.035 120.400 -0.013 0.000 2.451 243 K HA 0.194 4.457 4.320 -0.095 0.000 0.280 243 K C -0.427 176.132 176.600 -0.068 0.000 1.020 243 K CA -0.376 55.901 56.287 -0.016 0.000 1.008 243 K CB 0.162 32.675 32.500 0.022 0.000 0.917 243 K HN 0.631 nan 8.250 nan 0.000 0.478 244 I N 8.100 128.602 120.570 -0.112 0.000 2.337 244 I HA 0.177 4.290 4.170 -0.095 0.000 0.291 244 I C -1.760 174.285 176.117 -0.120 0.000 1.046 244 I CA -1.947 59.241 61.300 -0.187 0.000 1.324 244 I CB 1.003 38.771 38.000 -0.386 0.000 1.409 244 I HN 0.612 nan 8.210 nan 0.000 0.494 245 P HA 0.367 nan 4.420 nan 0.000 0.286 245 P C -0.790 176.479 177.300 -0.052 0.000 1.292 245 P CA -0.467 62.598 63.100 -0.060 0.000 0.842 245 P CB 0.826 32.499 31.700 -0.045 0.000 1.207 246 N N -2.602 116.074 118.700 -0.040 0.000 2.818 246 N HA -0.135 4.549 4.740 -0.095 0.000 0.250 246 N C -0.581 174.927 175.510 -0.003 0.000 1.108 246 N CA 0.832 53.868 53.050 -0.024 0.000 0.745 246 N CB -1.977 36.503 38.487 -0.011 0.000 1.104 246 N HN 0.562 nan 8.380 nan 0.000 0.557 247 K N 0.749 121.144 120.400 -0.010 0.000 2.270 247 K HA 0.285 4.548 4.320 -0.095 0.000 0.276 247 K C 1.974 178.560 176.600 -0.025 0.000 1.023 247 K CA -0.180 56.128 56.287 0.034 0.000 0.955 247 K CB 0.837 33.375 32.500 0.063 0.000 0.975 247 K HN 0.282 nan 8.250 nan 0.000 0.471 248 I N -1.761 118.831 120.570 0.038 0.000 3.427 248 I HA 0.191 4.304 4.170 -0.095 0.000 0.288 248 I C 0.738 176.943 176.117 0.147 0.000 1.249 248 I CA -0.006 61.331 61.300 0.061 0.000 1.421 248 I CB 0.437 38.498 38.000 0.101 0.000 1.086 248 I HN 0.437 nan 8.210 nan 0.000 0.448 249 G N 0.717 109.603 108.800 0.143 0.000 2.605 249 G HA2 0.590 4.493 3.960 -0.095 0.000 0.296 249 G HA3 0.590 4.493 3.960 -0.095 0.000 0.296 249 G C -0.180 174.845 174.900 0.207 0.000 1.304 249 G CA -0.997 44.266 45.100 0.272 0.000 0.941 249 G HN 0.276 nan 8.290 nan 0.000 0.475 250 L N -0.253 121.172 121.223 0.336 0.000 3.854 250 L HA -0.240 4.043 4.340 -0.095 0.000 0.460 250 L C 2.065 179.003 176.870 0.114 0.000 1.228 250 L CA -0.011 54.989 54.840 0.266 0.000 0.760 250 L CB -0.828 41.338 42.059 0.179 0.000 1.597 250 L HN 0.692 nan 8.230 nan 0.000 0.852 251 R N -0.012 120.426 120.500 -0.103 0.000 2.148 251 R HA -0.043 4.240 4.340 -0.095 0.000 0.223 251 R C 2.073 178.301 176.300 -0.120 0.000 1.088 251 R CA 1.490 57.387 56.100 -0.339 0.000 0.985 251 R CB -0.064 29.637 30.300 -0.998 0.000 0.880 251 R HN 0.516 nan 8.270 nan 0.000 0.451 252 M N 0.369 119.980 119.600 0.019 0.000 2.319 252 M HA -0.032 4.391 4.480 -0.095 0.000 0.265 252 M C 0.280 176.730 176.300 0.250 0.000 1.068 252 M CA 0.664 56.040 55.300 0.126 0.000 1.118 252 M CB 0.442 33.108 32.600 0.110 0.000 1.395 252 M HN -0.171 nan 8.290 nan 0.000 0.435 253 V N 2.766 122.822 119.914 0.236 0.000 2.458 253 V HA -0.075 3.988 4.120 -0.095 0.000 0.287 253 V C 0.403 176.613 176.094 0.194 0.000 1.009 253 V CA 0.085 62.539 62.300 0.257 0.000 1.091 253 V CB -0.128 31.815 31.823 0.201 0.000 0.960 253 V HN 0.278 nan 8.190 nan 0.000 0.476 254 Q N 4.546 124.476 119.800 0.215 0.000 2.513 254 Q HA 0.214 4.497 4.340 -0.095 0.000 0.227 254 Q C -0.103 175.961 176.000 0.107 0.000 1.257 254 Q CA 0.055 55.970 55.803 0.187 0.000 0.915 254 Q CB -0.045 28.891 28.738 0.331 0.000 1.507 254 Q HN 0.642 nan 8.270 nan 0.000 0.543 255 N N 0.824 119.575 118.700 0.086 0.000 2.518 255 N HA 0.533 5.217 4.740 -0.095 0.000 0.283 255 N C 0.001 175.497 175.510 -0.023 0.000 1.119 255 N CA 0.072 53.158 53.050 0.061 0.000 0.983 255 N CB 1.798 40.373 38.487 0.148 0.000 1.139 255 N HN 0.472 nan 8.380 nan 0.000 0.465 256 G N 0.307 109.080 108.800 -0.046 0.000 2.660 256 G HA2 0.266 4.169 3.960 -0.095 0.000 0.294 256 G HA3 0.266 4.169 3.960 -0.095 0.000 0.294 256 G C -1.423 173.411 174.900 -0.110 0.000 1.369 256 G CA -0.571 44.480 45.100 -0.083 0.000 0.912 256 G HN 0.342 nan 8.290 nan 0.000 0.479 257 D N 0.730 121.056 120.400 -0.123 0.000 2.280 257 D HA 0.311 4.894 4.640 -0.095 0.000 0.243 257 D C -0.016 176.245 176.300 -0.065 0.000 1.129 257 D CA 0.279 54.214 54.000 -0.109 0.000 0.848 257 D CB 2.297 43.024 40.800 -0.121 0.000 1.107 257 D HN 0.149 nan 8.370 nan 0.000 0.471 258 I N 2.703 123.242 120.570 -0.051 0.000 2.336 258 I HA 0.232 4.345 4.170 -0.095 0.000 0.292 258 I C 0.097 176.191 176.117 -0.038 0.000 0.991 258 I CA -0.589 60.687 61.300 -0.040 0.000 1.227 258 I CB 1.331 39.309 38.000 -0.036 0.000 1.366 258 I HN 0.113 nan 8.210 nan 0.000 0.466 259 L N 7.285 128.488 121.223 -0.034 0.000 2.325 259 L HA 0.579 4.862 4.340 -0.095 0.000 0.278 259 L C -0.894 175.957 176.870 -0.032 0.000 1.023 259 L CA -0.707 54.114 54.840 -0.032 0.000 0.811 259 L CB 1.639 43.682 42.059 -0.027 0.000 1.249 259 L HN 0.452 nan 8.230 nan 0.000 0.431 260 L N 4.088 125.290 121.223 -0.035 0.000 2.415 260 L HA 0.430 4.713 4.340 -0.095 0.000 0.268 260 L C -0.890 175.961 176.870 -0.031 0.000 0.984 260 L CA -0.330 54.487 54.840 -0.039 0.000 0.853 260 L CB 1.736 43.759 42.059 -0.060 0.000 1.215 260 L HN 0.556 nan 8.230 nan 0.000 0.419 261 Q N 3.393 123.181 119.800 -0.020 0.000 2.363 261 Q HA 0.330 4.613 4.340 -0.095 0.000 0.265 261 Q C -0.401 175.599 176.000 -0.000 0.000 1.032 261 Q CA -0.739 55.057 55.803 -0.011 0.000 0.746 261 Q CB 1.467 30.200 28.738 -0.008 0.000 1.237 261 Q HN 0.464 nan 8.270 nan 0.000 0.475 262 N N 0.626 119.328 118.700 0.002 0.000 2.716 262 N HA -0.156 4.527 4.740 -0.095 0.000 0.250 262 N C -0.955 174.585 175.510 0.050 0.000 1.033 262 N CA 0.525 53.590 53.050 0.025 0.000 0.727 262 N CB -0.851 37.653 38.487 0.028 0.000 0.950 262 N HN 0.286 nan 8.380 nan 0.000 0.541 263 V N 1.686 121.614 119.914 0.024 0.000 2.415 263 V HA 0.087 4.150 4.120 -0.095 0.000 0.267 263 V C 0.766 176.905 176.094 0.074 0.000 1.042 263 V CA -0.420 61.902 62.300 0.037 0.000 1.000 263 V CB -0.058 31.754 31.823 -0.019 0.000 1.015 263 V HN 0.211 nan 8.190 nan 0.000 0.478 264 F N 6.619 126.565 119.950 -0.007 0.000 2.456 264 F HA 0.487 4.957 4.527 -0.094 0.000 0.358 264 F C 0.043 175.869 175.800 0.043 0.000 1.095 264 F CA -0.061 57.951 58.000 0.020 0.000 1.216 264 F CB 0.903 39.915 39.000 0.020 0.000 1.125 264 F HN 0.246 nan 8.300 nan 0.000 0.549 265 V N 8.362 127.866 119.914 -0.682 0.000 2.409 265 V HA 0.332 4.395 4.120 -0.095 0.000 0.290 265 V C -2.151 173.523 176.094 -0.700 0.000 1.017 265 V CA -1.781 60.240 62.300 -0.466 0.000 0.841 265 V CB 1.429 33.183 31.823 -0.115 0.000 1.003 265 V HN 0.644 nan 8.190 nan 0.000 0.426 266 P HA 0.132 nan 4.420 nan 0.000 0.269 266 P C 0.243 177.554 177.300 0.018 0.000 1.215 266 P CA -0.028 62.919 63.100 -0.254 0.000 0.780 266 P CB 1.127 32.869 31.700 0.070 0.000 0.898 267 D N 1.294 121.735 120.400 0.069 0.000 2.228 267 D HA -0.199 4.384 4.640 -0.095 0.000 0.203 267 D C 1.665 178.048 176.300 0.137 0.000 0.988 267 D CA 1.536 55.627 54.000 0.153 0.000 0.864 267 D CB -0.104 40.738 40.800 0.070 0.000 0.928 267 D HN 0.653 nan 8.370 nan 0.000 0.469 268 E N 0.099 120.357 120.200 0.097 0.000 2.274 268 E HA -0.114 4.179 4.350 -0.095 0.000 0.194 268 E C 0.734 177.382 176.600 0.080 0.000 0.996 268 E CA 0.823 57.272 56.400 0.081 0.000 0.840 268 E CB 0.052 29.799 29.700 0.078 0.000 0.772 268 E HN 0.022 nan 8.360 nan 0.000 0.491 269 D N 0.609 121.056 120.400 0.079 0.000 2.363 269 D HA 0.068 4.651 4.640 -0.095 0.000 0.214 269 D C -0.151 176.132 176.300 -0.028 0.000 1.093 269 D CA -0.004 54.025 54.000 0.047 0.000 0.837 269 D CB 0.154 40.981 40.800 0.045 0.000 0.948 269 D HN 0.062 nan 8.370 nan 0.000 0.507 270 R N 1.208 121.686 120.500 -0.037 0.000 2.308 270 R HA 0.285 4.568 4.340 -0.095 0.000 0.305 270 R C -0.205 175.922 176.300 -0.289 0.000 1.053 270 R CA -0.493 55.437 56.100 -0.283 0.000 0.957 270 R CB 0.660 30.807 30.300 -0.255 0.000 1.022 270 R HN -0.018 nan 8.270 nan 0.000 0.461 271 L N 7.970 128.934 121.223 -0.432 0.000 2.433 271 L HA 0.146 4.429 4.340 -0.095 0.000 0.275 271 L C -1.170 175.539 176.870 -0.268 0.000 1.128 271 L CA -1.278 53.377 54.840 -0.309 0.000 0.875 271 L CB 1.001 42.855 42.059 -0.341 0.000 1.171 271 L HN 0.520 nan 8.230 nan 0.000 0.463 272 P HA -0.058 nan 4.420 nan 0.000 0.229 272 P C 1.268 178.512 177.300 -0.094 0.000 1.160 272 P CA 0.748 63.785 63.100 -0.106 0.000 0.777 272 P CB 0.384 32.050 31.700 -0.057 0.000 0.814 273 G N 0.410 109.151 108.800 -0.098 0.000 2.408 273 G HA2 -0.039 3.864 3.960 -0.095 0.000 0.215 273 G HA3 -0.039 3.864 3.960 -0.095 0.000 0.215 273 G C 0.560 175.419 174.900 -0.068 0.000 1.156 273 G CA 0.126 45.185 45.100 -0.068 0.000 0.793 273 G HN 0.174 nan 8.290 nan 0.000 0.535 274 V N 2.493 122.342 119.914 -0.107 0.000 2.352 274 V HA 0.190 4.253 4.120 -0.095 0.000 0.253 274 V C 0.423 176.455 176.094 -0.104 0.000 1.083 274 V CA -0.221 62.030 62.300 -0.083 0.000 0.993 274 V CB 0.705 32.460 31.823 -0.113 0.000 1.111 274 V HN 0.226 nan 8.190 nan 0.000 0.490 275 N N 1.908 120.580 118.700 -0.046 0.000 2.460 275 N HA 0.084 4.767 4.740 -0.095 0.000 0.193 275 N C 0.733 176.246 175.510 0.006 0.000 1.080 275 N CA 0.536 53.566 53.050 -0.034 0.000 0.869 275 N CB 0.912 39.387 38.487 -0.020 0.000 1.201 275 N HN 0.714 nan 8.380 nan 0.000 0.457 276 S N -1.102 114.616 115.700 0.030 0.000 2.732 276 S HA 0.369 4.782 4.470 -0.095 0.000 0.293 276 S C 0.419 175.098 174.600 0.131 0.000 1.159 276 S CA -0.685 57.563 58.200 0.079 0.000 0.847 276 S CB 0.890 64.130 63.200 0.066 0.000 1.169 276 S HN -0.024 nan 8.310 nan 0.000 0.501 277 F N 1.437 121.393 119.950 0.010 0.000 2.365 277 F HA 0.047 4.518 4.527 -0.092 0.000 0.300 277 F C 2.379 178.180 175.800 0.002 0.000 1.090 277 F CA 1.360 59.364 58.000 0.006 0.000 1.408 277 F CB -0.534 38.452 39.000 -0.024 0.000 1.060 277 F HN 0.670 nan 8.300 nan 0.000 0.534 278 Q N -0.187 119.575 119.800 -0.063 0.000 2.226 278 Q HA -0.200 4.083 4.340 -0.095 0.000 0.204 278 Q C 1.578 177.483 176.000 -0.159 0.000 0.975 278 Q CA 1.511 57.231 55.803 -0.138 0.000 0.866 278 Q CB -0.251 28.459 28.738 -0.046 0.000 0.915 278 Q HN 0.428 nan 8.270 nan 0.000 0.440 279 D N -0.165 120.173 120.400 -0.102 0.000 2.178 279 D HA -0.091 4.492 4.640 -0.095 0.000 0.202 279 D C 1.694 177.944 176.300 -0.083 0.000 0.974 279 D CA 1.163 55.122 54.000 -0.068 0.000 0.841 279 D CB -0.121 40.665 40.800 -0.023 0.000 0.953 279 D HN 0.174 nan 8.370 nan 0.000 0.478 280 T N 0.300 114.764 114.554 -0.151 0.000 2.833 280 T HA -0.075 4.218 4.350 -0.095 0.000 0.269 280 T C 1.572 176.135 174.700 -0.229 0.000 1.054 280 T CA 0.705 62.718 62.100 -0.145 0.000 1.135 280 T CB -0.116 68.572 68.868 -0.301 0.000 0.869 280 T HN -0.039 nan 8.240 nan 0.000 0.466 281 S N 1.120 116.611 115.700 -0.347 0.000 3.048 281 S HA 0.087 4.500 4.470 -0.095 0.000 0.254 281 S C 1.262 175.780 174.600 -0.136 0.000 1.084 281 S CA 0.172 58.217 58.200 -0.259 0.000 1.195 281 S CB -0.134 62.899 63.200 -0.279 0.000 0.870 281 S HN 0.357 nan 8.310 nan 0.000 0.483 282 K N -0.639 119.702 120.400 -0.099 0.000 2.548 282 K HA 0.231 4.494 4.320 -0.095 0.000 0.209 282 K C 1.552 178.127 176.600 -0.041 0.000 1.420 282 K CA 0.320 56.580 56.287 -0.045 0.000 0.985 282 K CB -0.297 32.185 32.500 -0.029 0.000 1.249 282 K HN 0.225 nan 8.250 nan 0.000 0.557 283 V N 2.310 122.187 119.914 -0.061 0.000 2.346 283 V HA -0.105 3.958 4.120 -0.095 0.000 0.244 283 V C 2.357 178.347 176.094 -0.172 0.000 1.037 283 V CA 1.331 63.575 62.300 -0.094 0.000 1.029 283 V CB -0.472 31.324 31.823 -0.045 0.000 0.663 283 V HN 0.104 nan 8.190 nan 0.000 0.454 284 L N 0.414 121.534 121.223 -0.171 0.000 2.187 284 L HA -0.168 4.115 4.340 -0.095 0.000 0.213 284 L C 2.690 179.459 176.870 -0.168 0.000 1.100 284 L CA 1.362 56.085 54.840 -0.194 0.000 0.765 284 L CB -0.770 41.200 42.059 -0.147 0.000 0.904 284 L HN 0.370 nan 8.230 nan 0.000 0.437 285 A N -0.387 122.354 122.820 -0.131 0.000 1.978 285 A HA -0.138 4.125 4.320 -0.095 0.000 0.220 285 A C 2.253 179.693 177.584 -0.240 0.000 1.170 285 A CA 1.930 53.901 52.037 -0.110 0.000 0.636 285 A CB -0.562 18.438 19.000 0.001 0.000 0.810 285 A HN 0.247 nan 8.150 nan 0.000 0.448 286 V N -1.333 118.402 119.914 -0.299 0.000 2.500 286 V HA -0.092 3.971 4.120 -0.095 0.000 0.243 286 V C 2.629 178.541 176.094 -0.303 0.000 1.039 286 V CA 1.770 63.810 62.300 -0.433 0.000 1.053 286 V CB -0.589 31.013 31.823 -0.369 0.000 0.695 286 V HN 0.601 nan 8.190 nan 0.000 0.463 287 S N -0.040 115.502 115.700 -0.263 0.000 2.383 287 S HA -0.254 4.159 4.470 -0.095 0.000 0.229 287 S C 2.221 176.706 174.600 -0.191 0.000 1.030 287 S CA 1.930 59.982 58.200 -0.247 0.000 1.002 287 S CB -0.278 62.722 63.200 -0.333 0.000 0.829 287 S HN 0.510 nan 8.310 nan 0.000 0.467 288 R N -0.024 120.370 120.500 -0.177 0.000 2.090 288 R HA 0.007 4.290 4.340 -0.095 0.000 0.228 288 R C 2.123 178.360 176.300 -0.105 0.000 1.110 288 R CA 1.354 57.372 56.100 -0.137 0.000 0.973 288 R CB -0.298 29.932 30.300 -0.116 0.000 0.869 288 R HN 0.362 nan 8.270 nan 0.000 0.440 289 V N 0.737 120.578 119.914 -0.123 0.000 2.343 289 V HA -0.252 3.811 4.120 -0.095 0.000 0.247 289 V C 2.242 178.360 176.094 0.040 0.000 1.051 289 V CA 1.602 63.867 62.300 -0.059 0.000 1.036 289 V CB -0.303 31.421 31.823 -0.166 0.000 0.654 289 V HN 0.320 nan 8.190 nan 0.000 0.451 290 M N -0.613 118.954 119.600 -0.056 0.000 2.156 290 M HA -0.057 4.367 4.480 -0.095 0.000 0.264 290 M C 1.977 178.306 176.300 0.048 0.000 1.067 290 M CA 1.498 56.785 55.300 -0.021 0.000 1.131 290 M CB -0.401 32.137 32.600 -0.102 0.000 1.368 290 M HN 0.133 nan 8.290 nan 0.000 0.416 291 V N -0.025 119.876 119.914 -0.022 0.000 2.407 291 V HA -0.251 3.812 4.120 -0.095 0.000 0.248 291 V C 2.428 178.507 176.094 -0.025 0.000 1.055 291 V CA 1.739 64.007 62.300 -0.053 0.000 1.049 291 V CB -1.382 30.328 31.823 -0.188 0.000 0.662 291 V HN 0.569 nan 8.190 nan 0.000 0.455 292 A N -1.503 121.311 122.820 -0.010 0.000 2.024 292 A HA -0.259 4.004 4.320 -0.095 0.000 0.220 292 A C 1.834 179.393 177.584 -0.043 0.000 1.164 292 A CA 1.768 53.786 52.037 -0.031 0.000 0.643 292 A CB -0.775 18.203 19.000 -0.037 0.000 0.806 292 A HN 0.715 nan 8.150 nan 0.000 0.451 293 W N -0.167 121.092 121.300 -0.069 0.000 3.003 293 W HA 0.092 4.700 4.660 -0.086 0.000 0.257 293 W C 2.387 178.900 176.519 -0.010 0.000 1.308 293 W CA 0.729 58.042 57.345 -0.054 0.000 1.529 293 W CB 0.049 29.463 29.460 -0.077 0.000 1.115 293 W HN 0.441 nan 8.180 nan 0.000 0.659 294 Q N 0.300 120.202 119.800 0.170 0.000 2.020 294 Q HA -0.185 4.098 4.340 -0.095 0.000 0.202 294 Q C -0.417 175.646 176.000 0.105 0.000 0.982 294 Q CA 1.654 57.541 55.803 0.140 0.000 0.838 294 Q CB -1.566 27.243 28.738 0.118 0.000 0.899 294 Q HN 0.137 nan 8.270 nan 0.000 0.423 295 P HA -0.158 nan 4.420 nan 0.000 0.216 295 P C 1.075 178.396 177.300 0.035 0.000 1.150 295 P CA 1.179 64.303 63.100 0.040 0.000 0.837 295 P CB -0.103 31.599 31.700 0.005 0.000 0.786 296 I N -0.700 119.858 120.570 -0.020 0.000 2.151 296 I HA -0.249 3.864 4.170 -0.095 0.000 0.243 296 I C 2.504 178.688 176.117 0.111 0.000 1.080 296 I CA 2.029 63.306 61.300 -0.039 0.000 1.339 296 I CB -1.369 36.436 38.000 -0.325 0.000 1.039 296 I HN 0.028 nan 8.210 nan 0.000 0.409 297 G N 1.141 110.044 108.800 0.171 0.000 2.434 297 G HA2 -0.183 3.720 3.960 -0.095 0.000 0.214 297 G HA3 -0.183 3.720 3.960 -0.095 0.000 0.214 297 G C 1.672 176.680 174.900 0.180 0.000 1.202 297 G CA 0.736 45.962 45.100 0.210 0.000 0.788 297 G HN 0.307 nan 8.290 nan 0.000 0.539 298 I N 1.162 121.823 120.570 0.151 0.000 2.113 298 I HA -0.251 3.862 4.170 -0.095 0.000 0.242 298 I C 3.070 179.275 176.117 0.146 0.000 1.064 298 I CA 1.567 62.954 61.300 0.144 0.000 1.320 298 I CB -0.308 37.763 38.000 0.119 0.000 1.028 298 I HN 0.103 nan 8.210 nan 0.000 0.406 299 S N 0.272 116.047 115.700 0.125 0.000 2.382 299 S HA -0.169 4.244 4.470 -0.095 0.000 0.228 299 S C 1.997 176.696 174.600 0.165 0.000 1.027 299 S CA 1.381 59.655 58.200 0.123 0.000 0.991 299 S CB -0.266 62.984 63.200 0.084 0.000 0.823 299 S HN 0.345 nan 8.310 nan 0.000 0.469 300 M N 0.933 120.641 119.600 0.180 0.000 2.080 300 M HA -0.098 4.325 4.480 -0.095 0.000 0.260 300 M C 2.568 179.021 176.300 0.255 0.000 1.068 300 M CA 1.685 57.113 55.300 0.214 0.000 1.109 300 M CB -1.116 31.620 32.600 0.225 0.000 1.342 300 M HN 0.486 nan 8.290 nan 0.000 0.405 301 G N 0.700 109.656 108.800 0.259 0.000 2.459 301 G HA2 -0.207 3.696 3.960 -0.095 0.000 0.217 301 G HA3 -0.207 3.696 3.960 -0.095 0.000 0.217 301 G C 1.443 176.443 174.900 0.167 0.000 1.183 301 G CA 0.853 46.128 45.100 0.292 0.000 0.776 301 G HN 0.411 nan 8.290 nan 0.000 0.552 302 I N -0.713 119.948 120.570 0.151 0.000 2.194 302 I HA -0.241 3.872 4.170 -0.095 0.000 0.246 302 I C 2.457 178.628 176.117 0.090 0.000 1.093 302 I CA 1.472 62.828 61.300 0.093 0.000 1.355 302 I CB -0.285 37.774 38.000 0.097 0.000 1.046 302 I HN 0.268 nan 8.210 nan 0.000 0.413 303 Y N 1.910 122.236 120.300 0.044 0.000 2.133 303 Y HA -0.288 4.205 4.550 -0.095 0.000 0.287 303 Y C 2.338 178.270 175.900 0.053 0.000 1.134 303 Y CA 1.796 59.921 58.100 0.041 0.000 1.133 303 Y CB -0.280 38.201 38.460 0.036 0.000 0.987 303 Y HN 0.163 nan 8.280 nan 0.000 0.502 304 D N 0.025 120.550 120.400 0.207 0.000 2.149 304 D HA -0.250 4.333 4.640 -0.095 0.000 0.194 304 D C 2.063 178.344 176.300 -0.033 0.000 1.001 304 D CA 1.863 55.928 54.000 0.108 0.000 0.849 304 D CB -0.344 40.535 40.800 0.133 0.000 0.939 304 D HN 0.393 nan 8.370 nan 0.000 0.449 305 M N 0.306 119.851 119.600 -0.092 0.000 2.099 305 M HA -0.083 4.340 4.480 -0.095 0.000 0.262 305 M C 2.209 178.478 176.300 -0.052 0.000 1.067 305 M CA 1.190 56.427 55.300 -0.106 0.000 1.124 305 M CB -0.644 31.879 32.600 -0.128 0.000 1.353 305 M HN 0.026 nan 8.290 nan 0.000 0.410 306 C N -0.484 118.747 119.300 -0.115 0.000 2.429 306 C HA -0.172 4.231 4.460 -0.095 0.000 0.277 306 C C 2.740 177.642 174.990 -0.146 0.000 1.262 306 C CA 1.472 60.407 59.018 -0.138 0.000 1.733 306 C CB -1.567 26.052 27.740 -0.201 0.000 2.010 306 C HN 0.731 nan 8.230 nan 0.000 0.483 307 H N 0.884 119.723 119.070 -0.386 0.000 2.352 307 H HA -0.145 4.354 4.556 -0.095 0.000 0.299 307 H C 2.513 177.768 175.328 -0.121 0.000 1.097 307 H CA 2.190 58.039 56.048 -0.332 0.000 1.311 307 H CB -0.237 29.283 29.762 -0.403 0.000 1.377 307 H HN 0.340 nan 8.280 nan 0.000 0.504 308 R N -0.915 119.553 120.500 -0.052 0.000 2.062 308 R HA -0.176 4.107 4.340 -0.095 0.000 0.229 308 R C 2.076 178.356 176.300 -0.033 0.000 1.128 308 R CA 1.592 57.664 56.100 -0.045 0.000 0.960 308 R CB -0.785 29.532 30.300 0.029 0.000 0.855 308 R HN 0.473 nan 8.270 nan 0.000 0.432 309 Y N 1.520 121.770 120.300 -0.084 0.000 2.128 309 Y HA -0.195 4.298 4.550 -0.095 0.000 0.284 309 Y C 2.102 177.960 175.900 -0.070 0.000 1.154 309 Y CA 1.900 59.967 58.100 -0.055 0.000 1.149 309 Y CB -0.213 38.201 38.460 -0.078 0.000 0.976 309 Y HN 0.057 nan 8.280 nan 0.000 0.505 310 L N 0.022 121.291 121.223 0.076 0.000 2.362 310 L HA -0.186 4.097 4.340 -0.095 0.000 0.219 310 L C 2.312 179.139 176.870 -0.073 0.000 1.134 310 L CA 1.376 56.226 54.840 0.016 0.000 0.807 310 L CB -0.364 41.688 42.059 -0.012 0.000 0.927 310 L HN 0.159 nan 8.230 nan 0.000 0.447 311 K N -0.297 120.016 120.400 -0.144 0.000 2.323 311 K HA -0.017 4.246 4.320 -0.095 0.000 0.197 311 K C 1.725 178.252 176.600 -0.122 0.000 1.043 311 K CA 0.339 56.535 56.287 -0.153 0.000 0.997 311 K CB 0.423 32.784 32.500 -0.231 0.000 0.807 311 K HN 0.281 nan 8.250 nan 0.000 0.497 312 E N -0.087 120.025 120.200 -0.147 0.000 2.099 312 E HA 0.006 4.299 4.350 -0.095 0.000 0.191 312 E C 0.374 176.863 176.600 -0.185 0.000 0.962 312 E CA 0.006 56.317 56.400 -0.149 0.000 0.826 312 E CB 0.324 29.938 29.700 -0.142 0.000 0.788 312 E HN -0.061 nan 8.360 nan 0.000 0.461 313 R N 2.453 122.777 120.500 -0.293 0.000 2.401 313 R HA 0.107 4.390 4.340 -0.095 0.000 0.299 313 R C -0.787 175.458 176.300 -0.091 0.000 1.064 313 R CA 0.475 56.423 56.100 -0.253 0.000 1.000 313 R CB 0.261 30.308 30.300 -0.422 0.000 0.973 313 R HN 0.004 nan 8.270 nan 0.000 0.438 314 K N 3.270 123.631 120.400 -0.065 0.000 2.221 314 K HA 0.282 4.545 4.320 -0.095 0.000 0.258 314 K C -0.633 175.986 176.600 0.032 0.000 0.944 314 K CA -0.753 55.538 56.287 0.007 0.000 0.823 314 K CB 1.813 34.300 32.500 -0.022 0.000 1.113 314 K HN 0.322 nan 8.250 nan 0.000 0.431 315 Q N 1.395 121.280 119.800 0.142 0.000 2.340 315 Q HA 0.335 4.618 4.340 -0.095 0.000 0.276 315 Q C -1.254 174.960 176.000 0.357 0.000 1.048 315 Q CA -0.471 55.403 55.803 0.119 0.000 0.832 315 Q CB 0.893 29.691 28.738 0.100 0.000 1.373 315 Q HN 0.588 nan 8.270 nan 0.000 0.409 316 F N 1.743 121.742 119.950 0.081 0.000 3.057 316 F HA -0.201 4.269 4.527 -0.095 0.000 0.287 316 F C 1.055 176.934 175.800 0.132 0.000 0.834 316 F CA 1.338 59.413 58.000 0.125 0.000 1.147 316 F CB -1.509 37.613 39.000 0.204 0.000 1.245 316 F HN 0.902 nan 8.300 nan 0.000 0.509 317 G N -0.640 108.267 108.800 0.178 0.000 2.198 317 G HA2 0.264 4.167 3.960 -0.095 0.000 0.257 317 G HA3 0.264 4.167 3.960 -0.095 0.000 0.257 317 G C -0.034 174.920 174.900 0.090 0.000 1.042 317 G CA 0.204 45.365 45.100 0.101 0.000 0.791 317 G HN 1.851 nan 8.290 nan 0.000 0.502 318 A N -1.084 121.817 122.820 0.136 0.000 2.605 318 A HA 0.855 5.118 4.320 -0.095 0.000 0.294 318 A C -3.049 174.605 177.584 0.116 0.000 1.062 318 A CA -0.996 51.068 52.037 0.045 0.000 0.682 318 A CB 1.433 20.355 19.000 -0.130 0.000 1.278 318 A HN 0.123 nan 8.150 nan 0.000 0.410 319 P HA 0.238 nan 4.420 nan 0.000 0.268 319 P C 0.967 178.367 177.300 0.166 0.000 1.205 319 P CA -0.181 62.948 63.100 0.049 0.000 0.771 319 P CB 0.427 32.109 31.700 -0.029 0.000 0.858 320 L N 2.064 123.414 121.223 0.211 0.000 2.129 320 L HA -0.243 4.040 4.340 -0.095 0.000 0.212 320 L C 2.129 179.171 176.870 0.286 0.000 1.087 320 L CA 1.891 56.930 54.840 0.331 0.000 0.757 320 L CB -0.956 41.202 42.059 0.166 0.000 0.896 320 L HN 0.427 nan 8.230 nan 0.000 0.434 321 A N -0.271 122.605 122.820 0.095 0.000 2.248 321 A HA 0.121 4.384 4.320 -0.095 0.000 0.210 321 A C 2.264 179.840 177.584 -0.015 0.000 1.174 321 A CA 1.190 53.239 52.037 0.020 0.000 0.750 321 A CB -0.430 18.531 19.000 -0.065 0.000 0.780 321 A HN 0.399 nan 8.150 nan 0.000 0.478 322 A N -1.123 121.652 122.820 -0.075 0.000 2.147 322 A HA 0.473 4.736 4.320 -0.095 0.000 0.211 322 A C 0.281 177.665 177.584 -0.334 0.000 1.160 322 A CA -0.156 51.725 52.037 -0.260 0.000 0.781 322 A CB -0.144 18.604 19.000 -0.421 0.000 0.842 322 A HN 0.339 nan 8.150 nan 0.000 0.475 323 F N 0.449 120.379 119.950 -0.032 0.000 2.410 323 F HA 0.272 4.742 4.527 -0.095 0.000 0.348 323 F C 1.552 177.329 175.800 -0.039 0.000 1.106 323 F CA -0.413 57.560 58.000 -0.045 0.000 1.163 323 F CB 0.894 39.860 39.000 -0.057 0.000 1.129 323 F HN 0.157 nan 8.300 nan 0.000 0.516 324 Q N 1.685 121.555 119.800 0.117 0.000 2.062 324 Q HA -0.229 4.054 4.340 -0.095 0.000 0.209 324 Q C 2.086 178.121 176.000 0.058 0.000 0.996 324 Q CA 1.850 57.688 55.803 0.058 0.000 0.859 324 Q CB -0.276 28.483 28.738 0.035 0.000 0.920 324 Q HN 0.691 nan 8.270 nan 0.000 0.415 325 L N 0.690 121.950 121.223 0.061 0.000 2.042 325 L HA -0.252 4.031 4.340 -0.095 0.000 0.210 325 L C 1.845 178.732 176.870 0.029 0.000 1.076 325 L CA 1.697 56.553 54.840 0.026 0.000 0.749 325 L CB -0.436 41.620 42.059 -0.004 0.000 0.893 325 L HN 0.268 nan 8.230 nan 0.000 0.432 326 N N -1.549 117.186 118.700 0.059 0.000 2.270 326 N HA -0.172 4.511 4.740 -0.095 0.000 0.181 326 N C 1.807 177.342 175.510 0.042 0.000 1.016 326 N CA 0.593 53.673 53.050 0.050 0.000 0.870 326 N CB -0.002 38.540 38.487 0.092 0.000 0.979 326 N HN 0.455 nan 8.380 nan 0.000 0.431 327 Q N 0.777 120.607 119.800 0.049 0.000 2.046 327 Q HA -0.183 4.100 4.340 -0.095 0.000 0.200 327 Q C 2.044 178.064 176.000 0.033 0.000 0.975 327 Q CA 1.035 56.859 55.803 0.036 0.000 0.836 327 Q CB -0.100 28.654 28.738 0.028 0.000 0.896 327 Q HN 0.433 nan 8.270 nan 0.000 0.428 328 Q N 0.697 120.513 119.800 0.028 0.000 2.135 328 Q HA -0.187 4.096 4.340 -0.095 0.000 0.204 328 Q C 1.807 177.821 176.000 0.023 0.000 0.981 328 Q CA 1.106 56.922 55.803 0.023 0.000 0.856 328 Q CB 0.209 28.958 28.738 0.017 0.000 0.902 328 Q HN 0.180 nan 8.270 nan 0.000 0.425 329 K N 0.301 120.712 120.400 0.019 0.000 2.057 329 K HA -0.149 4.114 4.320 -0.095 0.000 0.206 329 K C 2.158 178.779 176.600 0.036 0.000 1.050 329 K CA 0.665 56.961 56.287 0.014 0.000 0.935 329 K CB -0.354 32.143 32.500 -0.004 0.000 0.715 329 K HN 0.203 nan 8.250 nan 0.000 0.439 330 L N 1.426 122.677 121.223 0.046 0.000 2.056 330 L HA -0.137 4.146 4.340 -0.095 0.000 0.207 330 L C 2.258 179.230 176.870 0.170 0.000 1.078 330 L CA 1.241 56.137 54.840 0.093 0.000 0.749 330 L CB -0.402 41.689 42.059 0.054 0.000 0.901 330 L HN 0.031 nan 8.230 nan 0.000 0.433 331 V N -3.529 116.438 119.914 0.088 0.000 2.667 331 V HA -0.199 3.864 4.120 -0.095 0.000 0.252 331 V C 2.187 178.296 176.094 0.025 0.000 1.065 331 V CA 1.420 63.745 62.300 0.042 0.000 1.083 331 V CB -0.977 30.853 31.823 0.012 0.000 0.692 331 V HN 0.562 nan 8.190 nan 0.000 0.468 332 Q N -0.280 119.543 119.800 0.037 0.000 2.119 332 Q HA -0.079 4.204 4.340 -0.095 0.000 0.201 332 Q C 2.283 178.300 176.000 0.028 0.000 0.972 332 Q CA 2.182 58.001 55.803 0.026 0.000 0.847 332 Q CB -0.244 28.507 28.738 0.021 0.000 0.903 332 Q HN 0.653 nan 8.270 nan 0.000 0.433 333 M N -0.282 119.359 119.600 0.068 0.000 2.099 333 M HA -0.166 4.257 4.480 -0.095 0.000 0.262 333 M C 2.098 178.411 176.300 0.022 0.000 1.067 333 M CA 0.994 56.354 55.300 0.099 0.000 1.124 333 M CB -0.239 32.493 32.600 0.221 0.000 1.353 333 M HN 0.211 nan 8.290 nan 0.000 0.410 334 L N 0.547 121.744 121.223 -0.044 0.000 2.042 334 L HA -0.072 4.211 4.340 -0.095 0.000 0.210 334 L C 2.311 179.044 176.870 -0.228 0.000 1.076 334 L CA 2.064 56.685 54.840 -0.366 0.000 0.749 334 L CB -1.179 40.624 42.059 -0.428 0.000 0.893 334 L HN 0.272 nan 8.230 nan 0.000 0.432 335 G N -1.155 107.577 108.800 -0.114 0.000 2.404 335 G HA2 -0.291 3.612 3.960 -0.095 0.000 0.215 335 G HA3 -0.291 3.612 3.960 -0.095 0.000 0.215 335 G C 1.458 176.348 174.900 -0.016 0.000 1.174 335 G CA 0.857 45.917 45.100 -0.068 0.000 0.780 335 G HN 0.549 nan 8.290 nan 0.000 0.537 336 N N -0.093 118.607 118.700 -0.000 0.000 2.149 336 N HA -0.118 4.565 4.740 -0.095 0.000 0.188 336 N C 2.226 177.758 175.510 0.037 0.000 1.019 336 N CA 0.951 54.013 53.050 0.020 0.000 0.857 336 N CB -0.050 38.425 38.487 -0.020 0.000 0.997 336 N HN 0.179 nan 8.380 nan 0.000 0.426 337 V N 1.640 121.554 119.914 -0.000 0.000 2.270 337 V HA -0.208 3.855 4.120 -0.095 0.000 0.245 337 V C 2.291 178.445 176.094 0.099 0.000 1.043 337 V CA 1.462 63.779 62.300 0.028 0.000 1.014 337 V CB -0.474 31.328 31.823 -0.034 0.000 0.645 337 V HN 0.308 nan 8.190 nan 0.000 0.447 338 Q N 0.254 120.085 119.800 0.053 0.000 2.096 338 Q HA -0.197 4.086 4.340 -0.095 0.000 0.204 338 Q C 2.370 178.507 176.000 0.229 0.000 0.982 338 Q CA 2.142 58.049 55.803 0.172 0.000 0.850 338 Q CB -0.989 27.544 28.738 -0.342 0.000 0.901 338 Q HN 0.648 nan 8.270 nan 0.000 0.422 339 A N 0.716 123.638 122.820 0.169 0.000 1.873 339 A HA -0.126 4.137 4.320 -0.095 0.000 0.215 339 A C 2.246 179.975 177.584 0.242 0.000 1.186 339 A CA 1.465 53.638 52.037 0.227 0.000 0.616 339 A CB -0.543 18.651 19.000 0.323 0.000 0.823 339 A HN 0.298 nan 8.150 nan 0.000 0.442 340 M N -2.060 117.698 119.600 0.264 0.000 2.106 340 M HA -0.154 4.269 4.480 -0.095 0.000 0.259 340 M C 2.122 178.379 176.300 -0.072 0.000 1.068 340 M CA 1.960 57.365 55.300 0.176 0.000 1.100 340 M CB -0.408 32.237 32.600 0.076 0.000 1.351 340 M HN 0.587 nan 8.290 nan 0.000 0.404 341 F N 1.039 120.838 119.950 -0.250 0.000 2.060 341 F HA -0.203 4.267 4.527 -0.094 0.000 0.295 341 F C 1.946 177.526 175.800 -0.366 0.000 1.120 341 F CA 1.570 59.256 58.000 -0.523 0.000 1.205 341 F CB -0.225 38.234 39.000 -0.901 0.000 0.986 341 F HN -0.058 nan 8.300 nan 0.000 0.470 342 L N -0.495 120.782 121.223 0.090 0.000 2.081 342 L HA -0.280 4.003 4.340 -0.095 0.000 0.212 342 L C 2.454 179.414 176.870 0.151 0.000 1.080 342 L CA 1.427 56.393 54.840 0.209 0.000 0.754 342 L CB -0.652 41.557 42.059 0.249 0.000 0.893 342 L HN 0.315 nan 8.230 nan 0.000 0.433 343 M N 0.124 119.715 119.600 -0.014 0.000 2.067 343 M HA -0.100 4.323 4.480 -0.095 0.000 0.260 343 M C 2.108 178.321 176.300 -0.146 0.000 1.069 343 M CA 2.118 57.363 55.300 -0.092 0.000 1.117 343 M CB -0.900 31.632 32.600 -0.113 0.000 1.334 343 M HN 0.159 nan 8.290 nan 0.000 0.407 344 G N -1.685 106.894 108.800 -0.368 0.000 2.408 344 G HA2 -0.279 3.624 3.960 -0.095 0.000 0.217 344 G HA3 -0.279 3.624 3.960 -0.095 0.000 0.217 344 G C 1.312 176.214 174.900 0.003 0.000 1.150 344 G CA 0.792 45.564 45.100 -0.546 0.000 0.776 344 G HN 0.686 nan 8.290 nan 0.000 0.542 345 W N 1.639 122.811 121.300 -0.212 0.000 2.355 345 W HA -0.082 4.521 4.660 -0.094 0.000 0.309 345 W C 2.626 179.178 176.519 0.057 0.000 1.206 345 W CA 1.693 59.066 57.345 0.046 0.000 1.284 345 W CB -0.100 29.311 29.460 -0.081 0.000 1.145 345 W HN 0.139 nan 8.180 nan 0.000 0.502 346 R N 0.712 121.155 120.500 -0.095 0.000 2.081 346 R HA -0.178 4.105 4.340 -0.095 0.000 0.235 346 R C 2.157 178.297 176.300 -0.266 0.000 1.131 346 R CA 2.043 57.933 56.100 -0.351 0.000 0.960 346 R CB -1.383 28.883 30.300 -0.057 0.000 0.856 346 R HN 0.375 nan 8.270 nan 0.000 0.436 347 L N -0.170 120.982 121.223 -0.119 0.000 2.042 347 L HA -0.232 4.051 4.340 -0.095 0.000 0.210 347 L C 2.137 178.982 176.870 -0.042 0.000 1.076 347 L CA 1.865 56.670 54.840 -0.059 0.000 0.749 347 L CB -0.618 41.435 42.059 -0.010 0.000 0.893 347 L HN 0.327 nan 8.230 nan 0.000 0.432 348 C N -0.580 118.697 119.300 -0.038 0.000 2.432 348 C HA -0.125 4.278 4.460 -0.095 0.000 0.277 348 C C 2.547 177.462 174.990 -0.125 0.000 1.249 348 C CA 0.431 59.413 59.018 -0.061 0.000 1.725 348 C CB -0.983 26.700 27.740 -0.094 0.000 2.028 348 C HN 0.422 nan 8.230 nan 0.000 0.477 349 K N 0.843 121.049 120.400 -0.323 0.000 2.442 349 K HA 0.053 4.316 4.320 -0.095 0.000 0.198 349 K C 1.657 178.132 176.600 -0.208 0.000 1.042 349 K CA 0.810 56.893 56.287 -0.340 0.000 0.958 349 K CB -0.412 31.706 32.500 -0.637 0.000 0.766 349 K HN 0.563 nan 8.250 nan 0.000 0.474 350 L N -1.006 120.127 121.223 -0.151 0.000 2.127 350 L HA -0.089 4.194 4.340 -0.095 0.000 0.203 350 L C 2.328 179.175 176.870 -0.038 0.000 1.080 350 L CA 0.693 55.479 54.840 -0.089 0.000 0.768 350 L CB -0.372 41.645 42.059 -0.069 0.000 0.924 350 L HN 0.034 nan 8.230 nan 0.000 0.444 351 Y N 0.848 121.079 120.300 -0.116 0.000 2.242 351 Y HA -0.233 4.255 4.550 -0.104 0.000 0.291 351 Y C 2.499 178.343 175.900 -0.094 0.000 1.137 351 Y CA 1.644 59.686 58.100 -0.096 0.000 1.181 351 Y CB 0.072 38.477 38.460 -0.091 0.000 0.989 351 Y HN 0.162 nan 8.280 nan 0.000 0.527 352 E N -0.814 119.348 120.200 -0.063 0.000 2.072 352 E HA -0.170 4.123 4.350 -0.095 0.000 0.191 352 E C 1.919 178.423 176.600 -0.160 0.000 0.985 352 E CA 1.843 58.174 56.400 -0.115 0.000 0.801 352 E CB -0.064 29.595 29.700 -0.068 0.000 0.750 352 E HN 0.598 nan 8.360 nan 0.000 0.452 353 T N -2.969 111.501 114.554 -0.140 0.000 3.118 353 T HA 0.115 4.408 4.350 -0.095 0.000 0.260 353 T C 1.470 176.083 174.700 -0.145 0.000 1.139 353 T CA 0.522 62.548 62.100 -0.124 0.000 1.085 353 T CB 0.218 69.025 68.868 -0.100 0.000 0.934 353 T HN 0.304 nan 8.240 nan 0.000 0.518 354 G N 2.228 110.904 108.800 -0.208 0.000 2.143 354 G HA2 -0.319 3.584 3.960 -0.095 0.000 0.248 354 G HA3 -0.319 3.584 3.960 -0.095 0.000 0.248 354 G C 0.483 175.293 174.900 -0.150 0.000 0.991 354 G CA 0.398 45.358 45.100 -0.232 0.000 0.689 354 G HN 0.808 nan 8.290 nan 0.000 0.522 355 Q N -1.064 118.668 119.800 -0.114 0.000 2.198 355 Q HA 0.537 4.820 4.340 -0.095 0.000 0.209 355 Q C 1.075 177.041 176.000 -0.056 0.000 0.848 355 Q CA -0.433 55.324 55.803 -0.077 0.000 0.974 355 Q CB 0.493 29.191 28.738 -0.067 0.000 1.115 355 Q HN 0.560 nan 8.270 nan 0.000 0.494 356 M N 2.817 122.390 119.600 -0.045 0.000 2.211 356 M HA 0.209 4.632 4.480 -0.095 0.000 0.356 356 M C -0.724 175.576 176.300 0.000 0.000 1.216 356 M CA 0.287 55.585 55.300 -0.003 0.000 1.134 356 M CB 1.152 33.793 32.600 0.068 0.000 1.564 356 M HN 0.288 nan 8.290 nan 0.000 0.463 357 T N 2.050 116.599 114.554 -0.008 0.000 2.887 357 T HA 0.501 4.795 4.350 -0.095 0.000 0.288 357 T C -2.283 172.409 174.700 -0.013 0.000 1.021 357 T CA -1.775 60.317 62.100 -0.013 0.000 1.000 357 T CB 1.377 70.233 68.868 -0.021 0.000 1.034 357 T HN 0.428 nan 8.240 nan 0.000 0.467 358 P HA -0.171 nan 4.420 nan 0.000 0.220 358 P C 1.778 179.066 177.300 -0.020 0.000 1.155 358 P CA 1.816 64.902 63.100 -0.022 0.000 0.880 358 P CB -0.341 31.342 31.700 -0.027 0.000 0.790 359 G N -0.822 107.968 108.800 -0.016 0.000 2.408 359 G HA2 -0.254 3.649 3.960 -0.095 0.000 0.217 359 G HA3 -0.254 3.649 3.960 -0.095 0.000 0.217 359 G C 1.539 176.423 174.900 -0.028 0.000 1.150 359 G CA 0.544 45.635 45.100 -0.015 0.000 0.776 359 G HN 0.318 nan 8.290 nan 0.000 0.542 360 Q N 0.123 119.905 119.800 -0.030 0.000 2.079 360 Q HA 0.036 4.319 4.340 -0.095 0.000 0.200 360 Q C 3.001 178.977 176.000 -0.040 0.000 0.974 360 Q CA 1.276 57.056 55.803 -0.038 0.000 0.840 360 Q CB -0.236 28.480 28.738 -0.037 0.000 0.898 360 Q HN 0.470 nan 8.270 nan 0.000 0.430 361 A N 0.214 123.014 122.820 -0.034 0.000 1.930 361 A HA -0.140 4.123 4.320 -0.095 0.000 0.217 361 A C 2.221 179.776 177.584 -0.048 0.000 1.175 361 A CA 1.537 53.550 52.037 -0.040 0.000 0.627 361 A CB -0.385 18.589 19.000 -0.043 0.000 0.815 361 A HN 0.221 nan 8.150 nan 0.000 0.443 362 S N -0.634 115.039 115.700 -0.046 0.000 2.402 362 S HA -0.088 4.325 4.470 -0.095 0.000 0.229 362 S C 1.808 176.368 174.600 -0.066 0.000 1.021 362 S CA 1.250 59.416 58.200 -0.056 0.000 0.974 362 S CB -0.306 62.871 63.200 -0.037 0.000 0.800 362 S HN 0.481 nan 8.310 nan 0.000 0.484 363 L N 2.087 123.279 121.223 -0.050 0.000 2.056 363 L HA 0.086 4.369 4.340 -0.095 0.000 0.207 363 L C 2.200 179.076 176.870 0.010 0.000 1.078 363 L CA 1.833 56.653 54.840 -0.034 0.000 0.749 363 L CB -1.353 40.679 42.059 -0.045 0.000 0.901 363 L HN 0.279 nan 8.230 nan 0.000 0.433 364 G N -0.456 108.334 108.800 -0.016 0.000 2.545 364 G HA2 -0.343 3.560 3.960 -0.095 0.000 0.217 364 G HA3 -0.343 3.560 3.960 -0.095 0.000 0.217 364 G C 1.701 176.615 174.900 0.023 0.000 1.218 364 G CA 0.929 46.026 45.100 -0.004 0.000 0.787 364 G HN 0.314 nan 8.290 nan 0.000 0.571 365 K N 1.214 121.599 120.400 -0.025 0.000 2.009 365 K HA -0.078 4.186 4.320 -0.095 0.000 0.210 365 K C 2.824 179.409 176.600 -0.025 0.000 1.049 365 K CA 1.692 57.950 56.287 -0.049 0.000 0.929 365 K CB -0.777 31.666 32.500 -0.095 0.000 0.714 365 K HN 0.203 nan 8.250 nan 0.000 0.440 366 A N 0.382 123.179 122.820 -0.038 0.000 1.851 366 A HA -0.216 4.047 4.320 -0.095 0.000 0.216 366 A C 2.172 179.866 177.584 0.182 0.000 1.195 366 A CA 1.771 53.782 52.037 -0.042 0.000 0.622 366 A CB -1.334 17.490 19.000 -0.294 0.000 0.831 366 A HN 0.658 nan 8.150 nan 0.000 0.444 367 W N 0.409 121.719 121.300 0.017 0.000 2.354 367 W HA -0.173 4.429 4.660 -0.096 0.000 0.315 367 W C 1.953 178.502 176.519 0.051 0.000 1.206 367 W CA 2.113 59.500 57.345 0.071 0.000 1.290 367 W CB -0.288 29.179 29.460 0.013 0.000 1.152 367 W HN 0.324 nan 8.180 nan 0.000 0.489 368 I N 0.588 121.320 120.570 0.271 0.000 2.163 368 I HA -0.394 3.719 4.170 -0.095 0.000 0.243 368 I C 2.773 178.862 176.117 -0.046 0.000 1.085 368 I CA 1.928 63.283 61.300 0.092 0.000 1.347 368 I CB -1.013 37.023 38.000 0.061 0.000 1.044 368 I HN 0.067 nan 8.210 nan 0.000 0.408 369 S N -0.579 115.118 115.700 -0.005 0.000 2.383 369 S HA -0.228 4.185 4.470 -0.095 0.000 0.229 369 S C 2.136 176.789 174.600 0.089 0.000 1.030 369 S CA 1.605 59.822 58.200 0.028 0.000 1.002 369 S CB -0.659 62.530 63.200 -0.017 0.000 0.829 369 S HN 0.441 nan 8.310 nan 0.000 0.467 370 S N 1.736 117.449 115.700 0.021 0.000 2.355 370 S HA -0.064 4.349 4.470 -0.095 0.000 0.222 370 S C 1.830 176.315 174.600 -0.191 0.000 1.031 370 S CA 1.047 59.227 58.200 -0.034 0.000 0.993 370 S CB -0.346 62.778 63.200 -0.126 0.000 0.859 370 S HN 0.470 nan 8.310 nan 0.000 0.453 371 K N 1.615 121.795 120.400 -0.366 0.000 2.217 371 K HA 0.260 4.523 4.320 -0.095 0.000 0.202 371 K C 2.208 178.698 176.600 -0.182 0.000 1.051 371 K CA 1.016 57.077 56.287 -0.378 0.000 0.952 371 K CB -1.157 30.948 32.500 -0.657 0.000 0.736 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 A N 1.885 124.634 122.820 -0.118 0.000 1.933 372 A HA -0.156 4.107 4.320 -0.095 0.000 0.218 372 A C 2.249 179.821 177.584 -0.019 0.000 1.175 372 A CA 1.164 53.179 52.037 -0.037 0.000 0.628 372 A CB -0.296 18.702 19.000 -0.003 0.000 0.814 372 A HN 0.164 nan 8.150 nan 0.000 0.444 373 R N -0.398 120.076 120.500 -0.044 0.000 2.073 373 R HA -0.140 4.143 4.340 -0.095 0.000 0.234 373 R C 2.112 178.389 176.300 -0.039 0.000 1.134 373 R CA 1.651 57.705 56.100 -0.077 0.000 0.952 373 R CB -0.449 29.729 30.300 -0.204 0.000 0.850 373 R HN 0.701 nan 8.270 nan 0.000 0.433 374 E N -0.397 119.760 120.200 -0.072 0.000 2.058 374 E HA -0.152 4.141 4.350 -0.095 0.000 0.194 374 E C 1.929 178.519 176.600 -0.016 0.000 0.997 374 E CA 1.840 58.207 56.400 -0.055 0.000 0.801 374 E CB -0.052 29.594 29.700 -0.090 0.000 0.746 374 E HN 0.331 nan 8.360 nan 0.000 0.450 375 T N 0.832 115.379 114.554 -0.013 0.000 2.746 375 T HA -0.147 4.146 4.350 -0.095 0.000 0.267 375 T C 1.973 176.704 174.700 0.051 0.000 1.039 375 T CA 1.218 63.332 62.100 0.022 0.000 1.142 375 T CB -0.196 68.689 68.868 0.028 0.000 0.866 375 T HN 0.237 nan 8.240 nan 0.000 0.444 376 A N 1.008 123.877 122.820 0.082 0.000 1.930 376 A HA -0.049 4.214 4.320 -0.095 0.000 0.217 376 A C 2.566 180.256 177.584 0.177 0.000 1.175 376 A CA 1.920 54.054 52.037 0.163 0.000 0.627 376 A CB -0.983 18.154 19.000 0.229 0.000 0.815 376 A HN 0.442 nan 8.150 nan 0.000 0.443 377 S N -0.438 115.360 115.700 0.163 0.000 2.368 377 S HA -0.096 4.317 4.470 -0.095 0.000 0.225 377 S C 1.943 176.498 174.600 -0.074 0.000 1.030 377 S CA 1.443 59.681 58.200 0.064 0.000 0.999 377 S CB -0.477 62.774 63.200 0.086 0.000 0.844 377 S HN 0.492 nan 8.310 nan 0.000 0.459 378 L N 0.694 121.894 121.223 -0.037 0.000 2.027 378 L HA 0.036 4.319 4.340 -0.095 0.000 0.206 378 L C 2.917 179.738 176.870 -0.082 0.000 1.074 378 L CA 1.227 56.035 54.840 -0.054 0.000 0.745 378 L CB -1.230 40.817 42.059 -0.020 0.000 0.898 378 L HN 0.472 nan 8.230 nan 0.000 0.433 379 G N -0.367 108.396 108.800 -0.061 0.000 2.440 379 G HA2 -0.282 3.621 3.960 -0.095 0.000 0.218 379 G HA3 -0.282 3.621 3.960 -0.095 0.000 0.218 379 G C 1.803 176.598 174.900 -0.175 0.000 1.154 379 G CA 0.395 45.441 45.100 -0.090 0.000 0.767 379 G HN 0.144 nan 8.290 nan 0.000 0.552 380 R N 1.322 121.685 120.500 -0.229 0.000 2.081 380 R HA -0.089 4.194 4.340 -0.095 0.000 0.235 380 R C 2.627 178.727 176.300 -0.333 0.000 1.131 380 R CA 1.854 57.735 56.100 -0.364 0.000 0.960 380 R CB -0.371 29.501 30.300 -0.714 0.000 0.856 380 R HN 0.717 nan 8.270 nan 0.000 0.436 381 E N -0.269 119.769 120.200 -0.271 0.000 2.285 381 E HA -0.096 4.197 4.350 -0.095 0.000 0.194 381 E C 2.102 178.592 176.600 -0.183 0.000 0.997 381 E CA 0.412 56.683 56.400 -0.214 0.000 0.845 381 E CB -0.313 29.287 29.700 -0.167 0.000 0.782 381 E HN 0.283 nan 8.360 nan 0.000 0.491 382 L N 0.189 121.304 121.223 -0.179 0.000 2.141 382 L HA -0.113 4.170 4.340 -0.095 0.000 0.209 382 L C 1.851 178.603 176.870 -0.197 0.000 1.094 382 L CA 0.577 55.329 54.840 -0.147 0.000 0.763 382 L CB -0.039 41.947 42.059 -0.120 0.000 0.908 382 L HN 0.212 nan 8.230 nan 0.000 0.437 383 L N -0.896 120.112 121.223 -0.358 0.000 2.558 383 L HA 0.155 4.438 4.340 -0.095 0.000 0.225 383 L C 1.607 178.221 176.870 -0.427 0.000 1.128 383 L CA 1.009 55.465 54.840 -0.640 0.000 0.868 383 L CB -0.671 40.806 42.059 -0.971 0.000 1.006 383 L HN 0.318 nan 8.230 nan 0.000 0.454 384 G N -0.136 108.500 108.800 -0.273 0.000 2.602 384 G HA2 -0.407 3.496 3.960 -0.095 0.000 0.310 384 G HA3 -0.407 3.496 3.960 -0.095 0.000 0.310 384 G C 1.153 175.921 174.900 -0.220 0.000 1.183 384 G CA 0.365 45.349 45.100 -0.194 0.000 0.979 384 G HN 0.421 nan 8.290 nan 0.000 0.545 385 G N 0.424 109.108 108.800 -0.194 0.000 2.453 385 G HA2 -0.153 3.750 3.960 -0.095 0.000 0.215 385 G HA3 -0.153 3.750 3.960 -0.095 0.000 0.215 385 G C 1.438 176.176 174.900 -0.271 0.000 1.201 385 G CA 1.484 46.471 45.100 -0.188 0.000 0.784 385 G HN 0.864 nan 8.290 nan 0.000 0.545 386 N N 0.985 119.418 118.700 -0.445 0.000 2.635 386 N HA 0.045 4.728 4.740 -0.095 0.000 0.191 386 N C 1.978 177.182 175.510 -0.511 0.000 1.155 386 N CA 0.395 53.082 53.050 -0.605 0.000 0.927 386 N CB -0.008 37.701 38.487 -1.297 0.000 0.976 386 N HN 0.344 nan 8.380 nan 0.000 0.448 387 G N 1.091 109.630 108.800 -0.435 0.000 2.598 387 G HA2 -0.103 3.800 3.960 -0.095 0.000 0.215 387 G HA3 -0.103 3.800 3.960 -0.095 0.000 0.215 387 G C 1.246 176.000 174.900 -0.243 0.000 1.131 387 G CA 0.201 45.086 45.100 -0.358 0.000 0.785 387 G HN 0.523 nan 8.290 nan 0.000 0.539 388 I N -2.520 117.944 120.570 -0.178 0.000 4.018 388 I HA 0.483 4.596 4.170 -0.095 0.000 0.337 388 I C -0.372 175.730 176.117 -0.025 0.000 1.327 388 I CA -0.535 60.713 61.300 -0.088 0.000 1.100 388 I CB 0.428 38.391 38.000 -0.061 0.000 1.025 388 I HN -0.239 nan 8.210 nan 0.000 0.396 389 L N 1.792 122.999 121.223 -0.027 0.000 2.275 389 L HA 0.555 4.838 4.340 -0.095 0.000 0.288 389 L C 1.404 178.297 176.870 0.038 0.000 1.046 389 L CA 0.094 54.966 54.840 0.054 0.000 0.805 389 L CB 1.648 43.798 42.059 0.151 0.000 1.193 389 L HN 0.182 nan 8.230 nan 0.000 0.426 390 A N 1.905 124.724 122.820 -0.001 0.000 2.121 390 A HA -0.106 4.157 4.320 -0.095 0.000 0.218 390 A C 1.621 179.154 177.584 -0.086 0.000 1.154 390 A CA 1.049 53.015 52.037 -0.117 0.000 0.679 390 A CB -0.415 18.514 19.000 -0.118 0.000 0.795 390 A HN 0.833 nan 8.150 nan 0.000 0.458 391 D N -0.845 119.528 120.400 -0.046 0.000 2.221 391 D HA -0.123 4.460 4.640 -0.095 0.000 0.204 391 D C 0.320 176.407 176.300 -0.354 0.000 0.982 391 D CA 1.165 55.053 54.000 -0.188 0.000 0.857 391 D CB -0.128 40.533 40.800 -0.231 0.000 0.934 391 D HN 0.575 nan 8.370 nan 0.000 0.475 392 F N -0.247 119.639 119.950 -0.107 0.000 2.684 392 F HA 0.159 4.629 4.527 -0.095 0.000 0.298 392 F C 1.367 177.075 175.800 -0.153 0.000 1.120 392 F CA -0.340 57.581 58.000 -0.131 0.000 1.332 392 F CB 0.356 39.239 39.000 -0.196 0.000 0.986 392 F HN -0.267 nan 8.300 nan 0.000 0.524 393 L N -1.413 119.789 121.223 -0.034 0.000 3.447 393 L HA -0.452 3.831 4.340 -0.095 0.000 0.337 393 L C 1.513 178.342 176.870 -0.068 0.000 4.145 393 L CA 2.324 57.131 54.840 -0.055 0.000 1.229 393 L CB -1.484 40.562 42.059 -0.023 0.000 3.307 393 L HN -0.013 nan 8.230 nan 0.000 0.751 394 V N 0.165 120.048 119.914 -0.052 0.000 2.278 394 V HA -0.367 3.696 4.120 -0.095 0.000 0.251 394 V C 2.778 178.854 176.094 -0.030 0.000 1.062 394 V CA 3.164 65.433 62.300 -0.051 0.000 1.038 394 V CB -1.649 30.104 31.823 -0.116 0.000 0.646 394 V HN 0.843 nan 8.190 nan 0.000 0.447 395 A N -0.007 122.770 122.820 -0.072 0.000 1.883 395 A HA -0.303 3.960 4.320 -0.095 0.000 0.217 395 A C 2.378 179.934 177.584 -0.047 0.000 1.186 395 A CA 2.412 54.430 52.037 -0.032 0.000 0.624 395 A CB -0.567 18.397 19.000 -0.059 0.000 0.822 395 A HN 0.592 nan 8.150 nan 0.000 0.444 396 K N -0.324 119.898 120.400 -0.297 0.000 2.026 396 K HA -0.095 4.168 4.320 -0.095 0.000 0.208 396 K C 2.105 178.518 176.600 -0.312 0.000 1.048 396 K CA 1.422 57.276 56.287 -0.722 0.000 0.929 396 K CB -0.374 31.522 32.500 -1.008 0.000 0.713 396 K HN 0.336 nan 8.250 nan 0.000 0.439 397 A N 0.620 123.365 122.820 -0.125 0.000 1.969 397 A HA -0.114 4.149 4.320 -0.095 0.000 0.218 397 A C 1.954 179.590 177.584 0.086 0.000 1.169 397 A CA 1.085 53.128 52.037 0.011 0.000 0.635 397 A CB -0.750 18.278 19.000 0.047 0.000 0.810 397 A HN 0.557 nan 8.150 nan 0.000 0.445 398 F N 0.348 120.276 119.950 -0.037 0.000 2.102 398 F HA -0.239 4.231 4.527 -0.095 0.000 0.298 398 F C 2.375 178.194 175.800 0.032 0.000 1.105 398 F CA 1.763 59.754 58.000 -0.014 0.000 1.239 398 F CB -0.698 38.280 39.000 -0.037 0.000 0.991 398 F HN 0.285 nan 8.300 nan 0.000 0.474 399 C N 0.480 119.795 119.300 0.026 0.000 2.476 399 C HA -0.135 4.268 4.460 -0.095 0.000 0.278 399 C C 2.440 177.492 174.990 0.104 0.000 1.274 399 C CA 1.228 60.273 59.018 0.045 0.000 1.713 399 C CB -1.133 26.825 27.740 0.362 0.000 2.039 399 C HN 0.471 nan 8.230 nan 0.000 0.484 400 D N 0.492 121.001 120.400 0.182 0.000 2.221 400 D HA -0.111 4.472 4.640 -0.095 0.000 0.204 400 D C 1.902 178.287 176.300 0.142 0.000 0.982 400 D CA 0.821 54.953 54.000 0.221 0.000 0.857 400 D CB -0.346 40.575 40.800 0.202 0.000 0.934 400 D HN 0.434 nan 8.370 nan 0.000 0.475 401 L N 0.473 121.729 121.223 0.054 0.000 2.179 401 L HA -0.084 4.199 4.340 -0.095 0.000 0.208 401 L C 2.112 178.999 176.870 0.028 0.000 1.096 401 L CA 0.800 55.665 54.840 0.041 0.000 0.779 401 L CB 0.089 42.144 42.059 -0.007 0.000 0.922 401 L HN -0.141 nan 8.230 nan 0.000 0.443 402 E N 0.348 120.513 120.200 -0.058 0.000 2.070 402 E HA -0.201 4.092 4.350 -0.095 0.000 0.197 402 E C -0.487 176.147 176.600 0.057 0.000 1.004 402 E CA 1.733 58.090 56.400 -0.072 0.000 0.805 402 E CB -1.634 27.974 29.700 -0.154 0.000 0.744 402 E HN 0.500 nan 8.360 nan 0.000 0.451 403 P HA -0.078 nan 4.420 nan 0.000 0.217 403 P C 1.795 179.290 177.300 0.325 0.000 1.150 403 P CA 1.043 64.232 63.100 0.147 0.000 0.832 403 P CB -0.156 31.609 31.700 0.108 0.000 0.787 404 I N -1.647 119.111 120.570 0.312 0.000 2.286 404 I HA -0.260 3.853 4.170 -0.095 0.000 0.248 404 I C 2.692 178.796 176.117 -0.022 0.000 1.115 404 I CA 1.415 62.790 61.300 0.124 0.000 1.392 404 I CB -0.908 37.170 38.000 0.129 0.000 1.065 404 I HN -0.133 nan 8.210 nan 0.000 0.418 405 Y N 1.508 121.780 120.300 -0.046 0.000 2.256 405 Y HA -0.286 4.207 4.550 -0.095 0.000 0.288 405 Y C 2.540 178.419 175.900 -0.036 0.000 1.155 405 Y CA 2.074 60.143 58.100 -0.052 0.000 1.203 405 Y CB -0.124 38.294 38.460 -0.070 0.000 0.980 405 Y HN 0.055 nan 8.280 nan 0.000 0.530 406 T N -0.811 113.806 114.554 0.106 0.000 3.004 406 T HA -0.002 4.291 4.350 -0.095 0.000 0.243 406 T C -0.203 174.491 174.700 -0.010 0.000 1.020 406 T CA 0.508 62.633 62.100 0.042 0.000 1.145 406 T CB -0.441 68.461 68.868 0.056 0.000 0.876 406 T HN 0.322 nan 8.240 nan 0.000 0.449 407 Y N 1.906 122.154 120.300 -0.086 0.000 2.314 407 Y HA 0.472 4.964 4.550 -0.097 0.000 0.334 407 Y C 0.549 176.419 175.900 -0.050 0.000 1.266 407 Y CA -1.000 57.045 58.100 -0.092 0.000 1.391 407 Y CB 0.287 38.681 38.460 -0.110 0.000 1.306 407 Y HN 0.181 nan 8.280 nan 0.000 0.558 408 E N 1.166 121.354 120.200 -0.020 0.000 2.416 408 E HA -0.082 4.211 4.350 -0.095 0.000 0.249 408 E C -0.097 176.440 176.600 -0.105 0.000 1.124 408 E CA 1.318 57.657 56.400 -0.101 0.000 0.732 408 E CB -1.589 27.943 29.700 -0.280 0.000 1.286 408 E HN 1.796 nan 8.360 nan 0.000 0.394 409 G N 0.193 108.968 108.800 -0.042 0.000 3.405 409 G HA2 -0.061 3.842 3.960 -0.095 0.000 0.676 409 G HA3 -0.061 3.842 3.960 -0.095 0.000 0.676 409 G C 0.026 174.874 174.900 -0.086 0.000 1.039 409 G CA 0.204 45.280 45.100 -0.040 0.000 0.855 409 G HN 0.890 nan 8.290 nan 0.000 0.443 410 T N 2.081 116.601 114.554 -0.057 0.000 2.932 410 T HA 0.219 4.512 4.350 -0.095 0.000 0.312 410 T C 1.602 176.234 174.700 -0.114 0.000 1.071 410 T CA 0.961 63.017 62.100 -0.072 0.000 1.128 410 T CB 0.419 69.279 68.868 -0.013 0.000 0.984 410 T HN 1.146 nan 8.240 nan 0.000 0.549 411 Y N 3.332 123.419 120.300 -0.355 0.000 2.062 411 Y HA -0.282 4.211 4.550 -0.095 0.000 0.276 411 Y C 2.078 177.861 175.900 -0.195 0.000 1.189 411 Y CA 2.759 60.626 58.100 -0.389 0.000 1.130 411 Y CB -0.309 37.761 38.460 -0.649 0.000 0.959 411 Y HN 0.790 nan 8.280 nan 0.000 0.499 412 D N -0.024 120.363 120.400 -0.022 0.000 2.117 412 D HA -0.199 4.384 4.640 -0.095 0.000 0.197 412 D C 2.320 178.496 176.300 -0.206 0.000 0.987 412 D CA 1.484 55.431 54.000 -0.088 0.000 0.829 412 D CB -0.275 40.524 40.800 -0.001 0.000 0.961 412 D HN 0.355 nan 8.370 nan 0.000 0.460 413 I N 1.260 121.739 120.570 -0.150 0.000 2.179 413 I HA -0.220 3.893 4.170 -0.095 0.000 0.242 413 I C 1.798 177.855 176.117 -0.100 0.000 1.088 413 I CA 1.102 62.328 61.300 -0.122 0.000 1.357 413 I CB -0.976 37.042 38.000 0.029 0.000 1.051 413 I HN -0.050 nan 8.210 nan 0.000 0.409 414 N N 0.577 119.197 118.700 -0.134 0.000 2.084 414 N HA -0.175 4.508 4.740 -0.095 0.000 0.190 414 N C 1.793 177.192 175.510 -0.184 0.000 1.030 414 N CA 2.326 55.295 53.050 -0.135 0.000 0.849 414 N CB -0.465 37.910 38.487 -0.186 0.000 1.012 414 N HN 0.468 nan 8.380 nan 0.000 0.423 415 T N -1.201 113.151 114.554 -0.336 0.000 2.881 415 T HA -0.063 4.230 4.350 -0.095 0.000 0.270 415 T C 1.830 176.406 174.700 -0.207 0.000 1.068 415 T CA 0.842 62.751 62.100 -0.319 0.000 1.131 415 T CB -0.405 68.186 68.868 -0.462 0.000 0.871 415 T HN 0.122 nan 8.240 nan 0.000 0.479 416 L N 0.344 121.415 121.223 -0.253 0.000 2.270 416 L HA 0.076 4.359 4.340 -0.095 0.000 0.210 416 L C 2.801 179.680 176.870 0.016 0.000 1.104 416 L CA 0.293 54.942 54.840 -0.318 0.000 0.804 416 L CB -0.305 41.217 42.059 -0.895 0.000 0.937 416 L HN 0.156 nan 8.230 nan 0.000 0.450 417 V N -0.629 119.398 119.914 0.188 0.000 2.307 417 V HA -0.261 3.802 4.120 -0.095 0.000 0.245 417 V C 2.500 178.660 176.094 0.110 0.000 1.045 417 V CA 2.360 64.831 62.300 0.285 0.000 1.024 417 V CB -0.836 31.099 31.823 0.186 0.000 0.651 417 V HN 0.446 nan 8.190 nan 0.000 0.449 418 T N 0.392 114.962 114.554 0.026 0.000 2.833 418 T HA -0.100 4.193 4.350 -0.095 0.000 0.269 418 T C 1.910 176.611 174.700 0.003 0.000 1.054 418 T CA 1.420 63.517 62.100 -0.005 0.000 1.135 418 T CB -0.611 68.233 68.868 -0.041 0.000 0.869 418 T HN 0.623 nan 8.240 nan 0.000 0.466 419 G N 1.491 110.291 108.800 0.000 0.000 2.433 419 G HA2 -0.255 3.648 3.960 -0.095 0.000 0.216 419 G HA3 -0.255 3.648 3.960 -0.095 0.000 0.216 419 G C 1.537 176.462 174.900 0.041 0.000 1.186 419 G CA 0.790 45.892 45.100 0.003 0.000 0.779 419 G HN 0.434 nan 8.290 nan 0.000 0.543 420 R N 0.528 121.090 120.500 0.103 0.000 2.091 420 R HA -0.097 4.186 4.340 -0.095 0.000 0.238 420 R C 2.415 178.749 176.300 0.056 0.000 1.136 420 R CA 1.927 58.095 56.100 0.114 0.000 0.959 420 R CB -0.363 30.056 30.300 0.198 0.000 0.856 420 R HN 0.535 nan 8.270 nan 0.000 0.437 421 E N -0.414 119.812 120.200 0.042 0.000 2.072 421 E HA -0.134 4.159 4.350 -0.095 0.000 0.191 421 E C 1.816 178.420 176.600 0.008 0.000 0.985 421 E CA 1.435 57.845 56.400 0.016 0.000 0.801 421 E CB 0.217 29.921 29.700 0.007 0.000 0.750 421 E HN 0.249 nan 8.360 nan 0.000 0.452 422 V N 0.723 120.642 119.914 0.007 0.000 2.346 422 V HA -0.199 3.864 4.120 -0.095 0.000 0.244 422 V C 2.698 178.794 176.094 0.004 0.000 1.037 422 V CA 2.030 64.330 62.300 0.000 0.000 1.029 422 V CB -0.837 30.984 31.823 -0.005 0.000 0.663 422 V HN 0.516 nan 8.190 nan 0.000 0.454 423 T N -2.096 112.464 114.554 0.010 0.000 2.857 423 T HA 0.152 4.446 4.350 -0.095 0.000 0.266 423 T C 1.730 176.438 174.700 0.012 0.000 1.048 423 T CA 1.527 63.634 62.100 0.011 0.000 1.139 423 T CB 0.088 68.965 68.868 0.014 0.000 0.874 423 T HN 1.076 nan 8.240 nan 0.000 0.455 424 G N 1.250 110.060 108.800 0.017 0.000 2.176 424 G HA2 -0.160 3.743 3.960 -0.095 0.000 0.232 424 G HA3 -0.160 3.743 3.960 -0.095 0.000 0.232 424 G C 0.003 174.916 174.900 0.021 0.000 0.986 424 G CA 0.030 45.139 45.100 0.015 0.000 0.643 424 G HN 0.679 nan 8.290 nan 0.000 0.522 425 I N 1.419 122.008 120.570 0.030 0.000 2.378 425 I HA 0.654 4.767 4.170 -0.095 0.000 0.291 425 I C 0.616 176.772 176.117 0.067 0.000 0.992 425 I CA -0.739 60.584 61.300 0.038 0.000 1.154 425 I CB 2.008 40.026 38.000 0.030 0.000 1.315 425 I HN 0.229 nan 8.210 nan 0.000 0.448 426 A N 3.948 126.816 122.820 0.079 0.000 2.320 426 A HA 0.469 4.732 4.320 -0.095 0.000 0.287 426 A C 0.341 178.023 177.584 0.164 0.000 1.181 426 A CA -0.133 51.993 52.037 0.148 0.000 0.831 426 A CB 0.630 19.689 19.000 0.098 0.000 1.102 426 A HN 0.646 nan 8.150 nan 0.000 0.513 427 S N 2.106 117.938 115.700 0.221 0.000 2.474 427 S HA 0.444 4.857 4.470 -0.095 0.000 0.224 427 S C -0.201 174.437 174.600 0.063 0.000 1.209 427 S CA -0.371 57.892 58.200 0.106 0.000 1.212 427 S CB -0.637 62.572 63.200 0.015 0.000 1.137 427 S HN 0.578 nan 8.310 nan 0.000 0.446 428 F N 1.413 121.361 119.950 -0.005 0.000 2.315 428 F HA 0.476 4.946 4.527 -0.095 0.000 0.284 428 F C 1.365 177.164 175.800 -0.003 0.000 1.049 428 F CA 0.140 58.137 58.000 -0.005 0.000 1.323 428 F CB -0.228 38.769 39.000 -0.005 0.000 1.113 428 F HN 0.111 nan 8.300 nan 0.000 0.544 429 K N 1.392 121.916 120.400 0.206 0.000 2.230 429 K HA 0.109 4.372 4.320 -0.095 0.000 0.253 429 K C -1.943 174.696 176.600 0.065 0.000 1.008 429 K CA -1.140 55.212 56.287 0.109 0.000 0.910 429 K CB -0.358 32.189 32.500 0.078 0.000 0.994 429 K HN -0.056 nan 8.250 nan 0.000 0.495 430 P HA 0.164 nan 4.420 nan 0.000 0.297 430 P C -0.508 176.807 177.300 0.026 0.000 1.303 430 P CA -0.382 62.735 63.100 0.029 0.000 0.753 430 P CB 0.712 32.426 31.700 0.024 0.000 1.281 431 A N -0.791 122.041 122.820 0.019 0.000 2.478 431 A HA 0.124 4.387 4.320 -0.095 0.000 0.210 431 A C 1.742 179.335 177.584 0.016 0.000 1.728 431 A CA 2.310 54.357 52.037 0.017 0.000 0.622 431 A CB -1.647 17.361 19.000 0.013 0.000 1.231 431 A HN 0.656 nan 8.150 nan 0.000 0.497 432 T N -3.033 111.529 114.554 0.013 0.000 12.320 432 T HA -0.323 3.970 4.350 -0.095 0.000 0.419 432 T C 0.702 175.408 174.700 0.011 0.000 1.443 432 T CA 4.356 66.463 62.100 0.012 0.000 2.389 432 T CB -1.411 67.464 68.868 0.012 0.000 2.854 432 T HN 2.334 nan 8.240 nan 0.000 0.830 433 R N 0.000 120.507 120.500 0.012 0.000 2.786 433 R HA 0.000 4.283 4.340 -0.095 0.000 0.208 433 R CA 0.000 nan 56.100 nan 0.000 0.921 433 R CB 0.000 nan 30.300 nan 0.000 0.687 433 R HN 0.000 nan 8.270 nan 0.000 0.535