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 3hbx_1_C DATA FIRST_RESID 12 DATA SEQUENCE VSVHSTFASR YVRTSLPRFK MPENSIPKEA AYQIINDELM LDGNPRLNLA DATA SEQUENCE SFVTTWMEPE CDKLIMSSIN KNYVDMDEYP VTTELQNRCV NMIAHLFNAP DATA SEQUENCE LEEAETAVGV GTVGSSEAIM LAGLAFKRKW QNKRKAEGKP VDKPNIVTGA DATA SEQUENCE NVQVCWEKFA RYFEVELKEV KLSEGYYVMD PQQAVDMVDE NTICVAAILG DATA SEQUENCE STLNGEFEDV KLLNDLLVEK NKETGWDTPI HVDAASGGFI APFLYPELEW DATA SEQUENCE DFRLPLVKSI NVSGHXYGLV YAGIGWVIWR NKEDLPEELI FHINYLGADQ DATA SEQUENCE PTFTLNFSKG SSQVIAQYYQ LIRLGHEGYR NVMENCRENM IVLREGLEKT DATA SEQUENCE ERFNIVSKDE GVPLVAFSLK DSSCHTEFEI SDMLRRYGWI VPAYTMPPNA DATA SEQUENCE QHITVLRVVI REDFSRTLAE RLVIDIEKVM RELDELP 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.111 176.094 0.029 0.000 1.182 12 V CA 0.000 62.300 62.300 0.001 0.000 1.235 12 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 13 S N 0.710 116.406 115.700 -0.007 0.000 2.843 13 S HA 0.241 4.718 4.470 0.012 0.000 0.249 13 S C 0.801 175.387 174.600 -0.024 0.000 1.047 13 S CA 0.548 58.767 58.200 0.032 0.000 1.042 13 S CB 0.702 63.924 63.200 0.036 0.000 0.936 13 S HN 1.348 nan 8.310 nan 0.000 0.531 14 V N -1.325 118.501 119.914 -0.146 0.000 3.541 14 V HA 0.320 4.447 4.120 0.012 0.000 0.267 14 V C 0.453 176.461 176.094 -0.143 0.000 1.213 14 V CA 0.122 62.328 62.300 -0.155 0.000 1.149 14 V CB -1.562 30.145 31.823 -0.193 0.000 0.822 14 V HN 0.557 nan 8.190 nan 0.000 0.462 15 H N 2.379 121.471 119.070 0.036 0.000 2.764 15 H HA 0.477 5.041 4.556 0.012 0.000 0.341 15 H C 1.065 176.421 175.328 0.047 0.000 1.072 15 H CA 0.622 56.696 56.048 0.043 0.000 1.444 15 H CB 0.795 30.586 29.762 0.047 0.000 1.458 15 H HN 0.581 nan 8.280 nan 0.000 0.572 16 S N 1.254 117.059 115.700 0.175 0.000 2.584 16 S HA -0.064 4.413 4.470 0.012 0.000 0.270 16 S C 1.767 176.429 174.600 0.102 0.000 1.346 16 S CA -0.206 58.067 58.200 0.122 0.000 1.018 16 S CB 1.110 64.392 63.200 0.136 0.000 0.899 16 S HN 0.887 nan 8.310 nan 0.000 0.542 17 T N -0.613 113.943 114.554 0.003 0.000 2.759 17 T HA -0.147 4.210 4.350 0.012 0.000 0.269 17 T C 1.026 175.611 174.700 -0.192 0.000 1.042 17 T CA 1.227 63.245 62.100 -0.137 0.000 1.140 17 T CB -0.839 67.823 68.868 -0.344 0.000 0.864 17 T HN 0.573 nan 8.240 nan 0.000 0.455 18 F N 1.250 121.244 119.950 0.073 0.000 2.797 18 F HA 0.612 5.147 4.527 0.012 0.000 0.302 18 F C 2.363 178.183 175.800 0.033 0.000 1.130 18 F CA -0.268 57.761 58.000 0.048 0.000 1.387 18 F CB -0.202 38.820 39.000 0.036 0.000 1.107 18 F HN 0.330 nan 8.300 nan 0.000 0.577 19 A N -0.871 122.049 122.820 0.166 0.000 2.303 19 A HA 0.194 4.521 4.320 0.012 0.000 0.217 19 A C 1.359 178.923 177.584 -0.033 0.000 1.205 19 A CA 0.342 52.432 52.037 0.089 0.000 0.875 19 A CB -0.494 18.586 19.000 0.132 0.000 0.910 19 A HN 0.213 nan 8.150 nan 0.000 0.501 20 S N -0.214 115.482 115.700 -0.007 0.000 2.686 20 S HA 0.389 4.867 4.470 0.012 0.000 0.270 20 S C 0.668 175.177 174.600 -0.152 0.000 1.194 20 S CA -0.192 57.950 58.200 -0.097 0.000 0.990 20 S CB 0.653 63.919 63.200 0.109 0.000 1.029 20 S HN 0.361 nan 8.310 nan 0.000 0.560 21 R N -0.823 119.478 120.500 -0.333 0.000 2.334 21 R HA 0.304 4.651 4.340 0.012 0.000 0.220 21 R C 0.495 176.602 176.300 -0.322 0.000 0.917 21 R CA 0.412 56.317 56.100 -0.325 0.000 1.073 21 R CB -1.448 28.633 30.300 -0.364 0.000 1.056 21 R HN 0.684 nan 8.270 nan 0.000 0.506 22 Y N 0.210 120.483 120.300 -0.045 0.000 2.475 22 Y HA 0.034 4.591 4.550 0.012 0.000 0.289 22 Y C 1.913 177.787 175.900 -0.042 0.000 1.121 22 Y CA 0.495 58.569 58.100 -0.043 0.000 1.257 22 Y CB 0.128 38.555 38.460 -0.055 0.000 1.026 22 Y HN 0.068 nan 8.280 nan 0.000 0.555 23 V N -2.253 117.709 119.914 0.081 0.000 3.623 23 V HA 0.132 4.259 4.120 0.012 0.000 0.271 23 V C 1.564 177.693 176.094 0.059 0.000 1.248 23 V CA 0.622 62.963 62.300 0.069 0.000 1.156 23 V CB -0.266 31.620 31.823 0.105 0.000 0.870 23 V HN 0.218 nan 8.190 nan 0.000 0.453 24 R N 0.290 120.804 120.500 0.023 0.000 2.290 24 R HA 0.219 4.567 4.340 0.012 0.000 0.197 24 R C 0.209 176.516 176.300 0.012 0.000 0.913 24 R CA 0.503 56.608 56.100 0.008 0.000 1.040 24 R CB 0.335 30.620 30.300 -0.025 0.000 0.992 24 R HN 0.535 nan 8.270 nan 0.000 0.500 25 T N 1.001 115.569 114.554 0.022 0.000 2.824 25 T HA 0.215 4.572 4.350 0.012 0.000 0.280 25 T C 0.004 174.725 174.700 0.034 0.000 0.995 25 T CA -0.663 61.454 62.100 0.028 0.000 1.009 25 T CB 1.932 70.821 68.868 0.036 0.000 0.955 25 T HN 0.068 nan 8.240 nan 0.000 0.452 26 S N 2.801 118.518 115.700 0.028 0.000 2.592 26 S HA 0.481 4.958 4.470 0.012 0.000 0.271 26 S C 0.253 174.862 174.600 0.015 0.000 1.326 26 S CA -1.022 57.191 58.200 0.021 0.000 1.024 26 S CB 0.085 63.295 63.200 0.018 0.000 0.921 26 S HN 0.557 nan 8.310 nan 0.000 0.527 27 L N 2.133 123.356 121.223 -0.000 0.000 2.490 27 L HA 0.231 4.578 4.340 0.012 0.000 0.274 27 L C -1.944 174.912 176.870 -0.023 0.000 1.201 27 L CA -1.481 53.351 54.840 -0.013 0.000 0.869 27 L CB -0.622 41.418 42.059 -0.031 0.000 1.123 27 L HN 0.490 nan 8.230 nan 0.000 0.484 28 P HA 0.074 nan 4.420 nan 0.000 0.265 28 P C -0.053 177.192 177.300 -0.092 0.000 1.193 28 P CA 0.119 63.209 63.100 -0.017 0.000 0.765 28 P CB 0.603 32.303 31.700 0.001 0.000 0.823 29 R N 1.133 121.531 120.500 -0.169 0.000 2.250 29 R HA 0.211 4.558 4.340 0.012 0.000 0.194 29 R C 0.812 176.725 176.300 -0.644 0.000 0.927 29 R CA 0.683 56.492 56.100 -0.486 0.000 1.052 29 R CB 0.106 29.937 30.300 -0.781 0.000 1.055 29 R HN 0.424 nan 8.270 nan 0.000 0.537 30 F N 0.073 120.023 119.950 0.000 0.000 2.495 30 F HA 0.319 4.853 4.527 0.012 0.000 0.272 30 F C 0.501 176.301 175.800 0.000 0.000 0.919 30 F CA -0.041 57.959 58.000 0.000 0.000 1.178 30 F CB 0.299 39.300 39.000 0.000 0.000 1.030 30 F HN -0.390 nan 8.300 nan 0.000 0.777 31 K N 1.290 121.808 120.400 0.196 0.000 2.138 31 K HA 0.410 4.737 4.320 0.012 0.000 0.263 31 K C -0.540 176.096 176.600 0.061 0.000 0.965 31 K CA -0.718 55.633 56.287 0.107 0.000 0.868 31 K CB 2.153 34.708 32.500 0.092 0.000 1.083 31 K HN 0.026 nan 8.250 nan 0.000 0.443 32 M N 3.778 123.402 119.600 0.041 0.000 2.219 32 M HA 0.144 4.632 4.480 0.012 0.000 0.353 32 M C -2.098 174.218 176.300 0.026 0.000 1.304 32 M CA -1.294 54.021 55.300 0.025 0.000 1.115 32 M CB 0.528 33.138 32.600 0.018 0.000 1.664 32 M HN 0.288 nan 8.290 nan 0.000 0.459 33 P HA 0.047 nan 4.420 nan 0.000 0.269 33 P C -0.098 177.215 177.300 0.023 0.000 1.209 33 P CA -0.146 62.970 63.100 0.026 0.000 0.776 33 P CB 0.530 32.245 31.700 0.024 0.000 0.876 34 E N 0.692 120.907 120.200 0.025 0.000 2.112 34 E HA -0.042 4.316 4.350 0.012 0.000 0.190 34 E C 0.025 176.638 176.600 0.021 0.000 0.979 34 E CA 1.102 57.515 56.400 0.022 0.000 0.814 34 E CB -0.047 29.665 29.700 0.022 0.000 0.762 34 E HN 0.558 nan 8.360 nan 0.000 0.460 35 N N -0.262 118.455 118.700 0.028 0.000 2.404 35 N HA 0.210 4.957 4.740 0.012 0.000 0.297 35 N C -0.916 174.609 175.510 0.024 0.000 1.163 35 N CA -0.379 52.689 53.050 0.030 0.000 0.864 35 N CB 1.800 40.313 38.487 0.044 0.000 1.247 35 N HN -0.202 nan 8.380 nan 0.000 0.510 36 S N 0.728 116.437 115.700 0.014 0.000 2.593 36 S HA 0.404 4.881 4.470 0.012 0.000 0.269 36 S C 0.088 174.673 174.600 -0.026 0.000 1.334 36 S CA -0.541 57.653 58.200 -0.010 0.000 1.015 36 S CB 0.099 63.289 63.200 -0.017 0.000 0.912 36 S HN 0.466 nan 8.310 nan 0.000 0.541 37 I N -1.365 119.146 120.570 -0.098 0.000 2.785 37 I HA 0.649 4.827 4.170 0.012 0.000 0.302 37 I C -2.949 172.995 176.117 -0.290 0.000 1.069 37 I CA -3.065 58.075 61.300 -0.267 0.000 1.045 37 I CB 1.302 39.086 38.000 -0.360 0.000 1.236 37 I HN 0.301 nan 8.210 nan 0.000 0.429 38 P HA 0.086 nan 4.420 nan 0.000 0.265 38 P C 0.158 177.343 177.300 -0.192 0.000 1.187 38 P CA -0.262 62.688 63.100 -0.250 0.000 0.766 38 P CB 0.594 32.135 31.700 -0.265 0.000 0.820 39 K N 3.275 123.606 120.400 -0.114 0.000 2.063 39 K HA -0.203 4.124 4.320 0.012 0.000 0.208 39 K C 1.283 177.853 176.600 -0.050 0.000 1.048 39 K CA 1.382 57.625 56.287 -0.074 0.000 0.928 39 K CB -0.391 32.073 32.500 -0.060 0.000 0.713 39 K HN 0.444 nan 8.250 nan 0.000 0.442 40 E N 1.741 121.900 120.200 -0.068 0.000 2.118 40 E HA -0.196 4.161 4.350 0.012 0.000 0.195 40 E C 2.184 178.766 176.600 -0.030 0.000 0.992 40 E CA 1.447 57.824 56.400 -0.038 0.000 0.804 40 E CB -0.414 29.253 29.700 -0.054 0.000 0.741 40 E HN 0.455 nan 8.360 nan 0.000 0.458 41 A N 2.100 124.846 122.820 -0.123 0.000 1.873 41 A HA 0.094 4.421 4.320 0.012 0.000 0.215 41 A C 2.557 180.066 177.584 -0.126 0.000 1.186 41 A CA 2.101 54.035 52.037 -0.172 0.000 0.616 41 A CB -0.738 18.061 19.000 -0.335 0.000 0.823 41 A HN 0.361 nan 8.150 nan 0.000 0.442 42 A N -1.398 121.354 122.820 -0.112 0.000 1.902 42 A HA -0.127 4.201 4.320 0.012 0.000 0.217 42 A C 2.145 179.714 177.584 -0.026 0.000 1.181 42 A CA 1.712 53.707 52.037 -0.070 0.000 0.623 42 A CB -0.868 18.095 19.000 -0.063 0.000 0.818 42 A HN 0.767 nan 8.150 nan 0.000 0.443 43 Y N 0.272 120.515 120.300 -0.095 0.000 2.128 43 Y HA -0.271 4.287 4.550 0.012 0.000 0.284 43 Y C 2.572 178.433 175.900 -0.065 0.000 1.154 43 Y CA 2.545 60.602 58.100 -0.072 0.000 1.149 43 Y CB -0.416 38.005 38.460 -0.066 0.000 0.976 43 Y HN 0.390 nan 8.280 nan 0.000 0.505 44 Q N 0.637 120.409 119.800 -0.047 0.000 2.020 44 Q HA -0.147 4.200 4.340 0.012 0.000 0.202 44 Q C 2.098 178.004 176.000 -0.157 0.000 0.982 44 Q CA 2.541 58.270 55.803 -0.123 0.000 0.838 44 Q CB -0.514 28.142 28.738 -0.138 0.000 0.899 44 Q HN 0.687 nan 8.270 nan 0.000 0.423 45 I N -0.296 120.196 120.570 -0.129 0.000 2.252 45 I HA -0.239 3.938 4.170 0.012 0.000 0.245 45 I C 2.109 178.169 176.117 -0.094 0.000 1.102 45 I CA 0.981 62.233 61.300 -0.080 0.000 1.385 45 I CB -0.344 37.621 38.000 -0.057 0.000 1.064 45 I HN 0.216 nan 8.210 nan 0.000 0.414 46 I N 0.949 121.438 120.570 -0.134 0.000 2.252 46 I HA -0.289 3.889 4.170 0.012 0.000 0.245 46 I C 2.357 178.365 176.117 -0.181 0.000 1.102 46 I CA 1.608 62.825 61.300 -0.138 0.000 1.385 46 I CB -0.493 37.427 38.000 -0.133 0.000 1.064 46 I HN 0.306 nan 8.210 nan 0.000 0.414 47 N N 1.036 119.552 118.700 -0.306 0.000 2.166 47 N HA -0.222 4.525 4.740 0.012 0.000 0.186 47 N C 1.428 176.839 175.510 -0.165 0.000 1.019 47 N CA 1.677 54.531 53.050 -0.327 0.000 0.856 47 N CB 0.014 38.136 38.487 -0.610 0.000 0.993 47 N HN 0.184 nan 8.380 nan 0.000 0.426 48 D N 0.016 120.350 120.400 -0.110 0.000 2.097 48 D HA -0.140 4.507 4.640 0.012 0.000 0.197 48 D C 1.592 177.872 176.300 -0.033 0.000 0.984 48 D CA 0.836 54.818 54.000 -0.030 0.000 0.826 48 D CB -0.366 40.459 40.800 0.042 0.000 0.973 48 D HN 0.480 nan 8.370 nan 0.000 0.460 49 E N -0.186 119.988 120.200 -0.043 0.000 2.150 49 E HA -0.132 4.225 4.350 0.012 0.000 0.193 49 E C 1.649 178.222 176.600 -0.045 0.000 0.985 49 E CA 0.292 56.669 56.400 -0.038 0.000 0.814 49 E CB 0.075 29.751 29.700 -0.041 0.000 0.752 49 E HN 0.023 nan 8.360 nan 0.000 0.466 50 L N 0.574 121.759 121.223 -0.062 0.000 2.353 50 L HA -0.088 4.260 4.340 0.012 0.000 0.220 50 L C 1.978 178.819 176.870 -0.047 0.000 1.133 50 L CA 1.342 56.147 54.840 -0.060 0.000 0.798 50 L CB -0.483 41.529 42.059 -0.080 0.000 0.922 50 L HN 0.324 nan 8.230 nan 0.000 0.445 51 M N -1.853 117.721 119.600 -0.043 0.000 2.460 51 M HA -0.150 4.337 4.480 0.012 0.000 0.263 51 M C 1.652 177.936 176.300 -0.028 0.000 1.071 51 M CA 1.105 56.386 55.300 -0.033 0.000 1.096 51 M CB -0.151 32.433 32.600 -0.027 0.000 1.408 51 M HN 0.179 nan 8.290 nan 0.000 0.463 52 L N -0.649 120.559 121.223 -0.026 0.000 2.599 52 L HA 0.011 4.358 4.340 0.012 0.000 0.230 52 L C 0.194 177.053 176.870 -0.019 0.000 1.141 52 L CA -0.176 54.651 54.840 -0.021 0.000 0.877 52 L CB -0.374 41.674 42.059 -0.019 0.000 1.009 52 L HN 0.094 nan 8.230 nan 0.000 0.447 53 D N 0.396 120.783 120.400 -0.022 0.000 2.357 53 D HA 0.211 4.858 4.640 0.012 0.000 0.242 53 D C 0.540 176.831 176.300 -0.013 0.000 1.153 53 D CA 0.250 54.240 54.000 -0.017 0.000 0.918 53 D CB 1.127 41.913 40.800 -0.023 0.000 1.181 53 D HN 0.056 nan 8.370 nan 0.000 0.435 54 G N 0.566 109.363 108.800 -0.005 0.000 2.606 54 G HA2 0.046 4.013 3.960 0.012 0.000 0.252 54 G HA3 0.046 4.013 3.960 0.012 0.000 0.252 54 G C 0.272 175.169 174.900 -0.003 0.000 1.206 54 G CA -0.392 44.707 45.100 -0.001 0.000 0.861 54 G HN 0.377 nan 8.290 nan 0.000 0.561 55 N N 1.258 119.953 118.700 -0.007 0.000 2.401 55 N HA 0.204 4.952 4.740 0.012 0.000 0.255 55 N C -1.357 174.167 175.510 0.023 0.000 1.110 55 N CA -2.073 50.976 53.050 -0.002 0.000 0.949 55 N CB 1.654 40.126 38.487 -0.024 0.000 1.110 55 N HN -0.027 nan 8.380 nan 0.000 0.490 56 P HA -0.153 nan 4.420 nan 0.000 0.216 56 P C 1.025 178.374 177.300 0.081 0.000 1.154 56 P CA 1.298 64.430 63.100 0.054 0.000 0.865 56 P CB 0.314 32.049 31.700 0.059 0.000 0.789 57 R N -0.825 119.730 120.500 0.092 0.000 2.193 57 R HA -0.002 4.345 4.340 0.012 0.000 0.229 57 R C 1.921 178.308 176.300 0.144 0.000 1.110 57 R CA 0.952 57.125 56.100 0.121 0.000 0.988 57 R CB -1.065 29.297 30.300 0.104 0.000 0.871 57 R HN 0.356 nan 8.270 nan 0.000 0.458 58 L N 0.618 121.901 121.223 0.099 0.000 2.640 58 L HA 0.134 4.482 4.340 0.012 0.000 0.230 58 L C 0.557 177.538 176.870 0.184 0.000 1.123 58 L CA -0.296 54.626 54.840 0.137 0.000 0.900 58 L CB -0.138 41.887 42.059 -0.058 0.000 1.146 58 L HN -0.049 nan 8.230 nan 0.000 0.484 59 N N 1.578 120.347 118.700 0.115 0.000 2.466 59 N HA 0.069 4.817 4.740 0.012 0.000 0.263 59 N C 0.563 176.100 175.510 0.045 0.000 1.178 59 N CA 0.210 53.308 53.050 0.080 0.000 0.983 59 N CB 0.457 38.973 38.487 0.048 0.000 1.331 59 N HN 0.224 nan 8.380 nan 0.000 0.500 60 L N 1.721 122.971 121.223 0.045 0.000 2.612 60 L HA 0.178 4.525 4.340 0.012 0.000 0.230 60 L C 1.723 178.514 176.870 -0.132 0.000 1.140 60 L CA 0.052 54.847 54.840 -0.076 0.000 0.896 60 L CB -0.171 41.832 42.059 -0.094 0.000 1.065 60 L HN 0.483 nan 8.230 nan 0.000 0.447 61 A N -0.800 121.976 122.820 -0.073 0.000 2.021 61 A HA 0.007 4.334 4.320 0.012 0.000 0.216 61 A C 1.410 178.924 177.584 -0.118 0.000 1.163 61 A CA 0.402 52.392 52.037 -0.078 0.000 0.676 61 A CB 0.068 19.062 19.000 -0.010 0.000 0.818 61 A HN 0.291 nan 8.150 nan 0.000 0.453 62 S N -1.911 113.728 115.700 -0.102 0.000 2.585 62 S HA 0.534 5.011 4.470 0.012 0.000 0.277 62 S C 0.094 174.606 174.600 -0.148 0.000 1.241 62 S CA -0.566 57.613 58.200 -0.035 0.000 1.041 62 S CB 0.310 63.519 63.200 0.014 0.000 0.987 62 S HN 0.244 nan 8.310 nan 0.000 0.512 63 F N 2.313 122.262 119.950 -0.001 0.000 2.749 63 F HA 0.299 4.834 4.527 0.012 0.000 0.300 63 F C 0.661 176.420 175.800 -0.069 0.000 1.103 63 F CA -0.131 57.858 58.000 -0.019 0.000 1.342 63 F CB 0.225 39.270 39.000 0.076 0.000 1.098 63 F HN 0.234 nan 8.300 nan 0.000 0.586 64 V N 0.873 120.867 119.914 0.133 0.000 2.530 64 V HA 0.078 4.206 4.120 0.012 0.000 0.282 64 V C 0.690 176.809 176.094 0.042 0.000 1.048 64 V CA -0.608 61.745 62.300 0.089 0.000 0.997 64 V CB 0.876 32.709 31.823 0.016 0.000 0.987 64 V HN 0.053 nan 8.190 nan 0.000 0.477 65 T N 4.037 118.619 114.554 0.046 0.000 2.934 65 T HA 0.108 4.466 4.350 0.012 0.000 0.306 65 T C 1.051 175.828 174.700 0.127 0.000 1.042 65 T CA 0.743 62.865 62.100 0.037 0.000 1.145 65 T CB 0.466 69.325 68.868 -0.014 0.000 0.982 65 T HN 1.040 nan 8.240 nan 0.000 0.544 66 T N -0.598 114.059 114.554 0.171 0.000 3.091 66 T HA 0.306 4.663 4.350 0.012 0.000 0.277 66 T C -0.458 174.490 174.700 0.412 0.000 0.996 66 T CA -0.757 61.503 62.100 0.267 0.000 0.897 66 T CB -0.072 68.909 68.868 0.187 0.000 1.109 66 T HN 0.680 nan 8.240 nan 0.000 0.534 67 W N 1.192 122.545 121.300 0.088 0.000 3.425 67 W HA 0.681 5.348 4.660 0.012 0.000 0.318 67 W C -2.136 174.272 176.519 -0.184 0.000 1.201 67 W CA -0.927 56.454 57.345 0.060 0.000 1.212 67 W CB 1.457 30.941 29.460 0.040 0.000 1.355 67 W HN -0.035 nan 8.180 nan 0.000 0.515 68 M N 3.253 122.190 119.600 -1.105 0.000 2.658 68 M HA 0.318 4.805 4.480 0.012 0.000 0.295 68 M C -0.320 174.944 176.300 -1.727 0.000 1.248 68 M CA -1.087 53.471 55.300 -1.236 0.000 0.843 68 M CB 2.433 34.459 32.600 -0.957 0.000 1.749 68 M HN 0.390 nan 8.290 nan 0.000 0.464 69 E N 1.514 121.056 120.200 -1.095 0.000 2.413 69 E HA 0.008 4.366 4.350 0.012 0.000 0.263 69 E C -1.755 174.599 176.600 -0.410 0.000 1.015 69 E CA -1.316 54.721 56.400 -0.606 0.000 0.916 69 E CB 0.450 30.071 29.700 -0.131 0.000 0.947 69 E HN 0.276 nan 8.360 nan 0.000 0.440 70 P HA -0.194 nan 4.420 nan 0.000 0.216 70 P C 0.589 177.798 177.300 -0.152 0.000 1.150 70 P CA 1.245 64.256 63.100 -0.147 0.000 0.843 70 P CB 0.275 31.945 31.700 -0.050 0.000 0.787 71 E N -1.481 118.634 120.200 -0.143 0.000 2.160 71 E HA -0.168 4.190 4.350 0.012 0.000 0.195 71 E C 2.052 178.441 176.600 -0.351 0.000 0.991 71 E CA 0.934 57.235 56.400 -0.164 0.000 0.810 71 E CB -1.286 28.380 29.700 -0.056 0.000 0.742 71 E HN 0.221 nan 8.360 nan 0.000 0.466 72 C N 0.635 119.630 119.300 -0.507 0.000 2.464 72 C HA -0.058 4.409 4.460 0.012 0.000 0.278 72 C C 1.781 176.593 174.990 -0.297 0.000 1.375 72 C CA 0.410 59.048 59.018 -0.632 0.000 1.761 72 C CB -0.753 26.578 27.740 -0.683 0.000 1.944 72 C HN 0.369 nan 8.230 nan 0.000 0.509 73 D N 0.722 121.000 120.400 -0.203 0.000 2.149 73 D HA -0.123 4.525 4.640 0.012 0.000 0.198 73 D C 2.270 178.508 176.300 -0.102 0.000 0.990 73 D CA 1.160 55.100 54.000 -0.099 0.000 0.839 73 D CB -0.272 40.472 40.800 -0.094 0.000 0.948 73 D HN 0.549 nan 8.370 nan 0.000 0.460 74 K N 0.073 120.400 120.400 -0.122 0.000 2.026 74 K HA -0.050 4.277 4.320 0.012 0.000 0.208 74 K C 2.312 178.858 176.600 -0.090 0.000 1.048 74 K CA 0.549 56.780 56.287 -0.093 0.000 0.929 74 K CB -0.231 32.219 32.500 -0.084 0.000 0.713 74 K HN 0.141 nan 8.250 nan 0.000 0.439 75 L N 0.997 122.147 121.223 -0.121 0.000 2.013 75 L HA -0.250 4.097 4.340 0.012 0.000 0.212 75 L C 2.411 179.242 176.870 -0.064 0.000 1.073 75 L CA 1.309 56.094 54.840 -0.091 0.000 0.753 75 L CB -0.510 41.475 42.059 -0.123 0.000 0.890 75 L HN 0.226 nan 8.230 nan 0.000 0.432 76 I N -0.684 119.845 120.570 -0.067 0.000 2.127 76 I HA -0.387 3.790 4.170 0.012 0.000 0.241 76 I C 2.666 178.755 176.117 -0.046 0.000 1.075 76 I CA 1.755 63.033 61.300 -0.036 0.000 1.334 76 I CB -0.226 37.768 38.000 -0.010 0.000 1.040 76 I HN 0.342 nan 8.210 nan 0.000 0.405 77 M N 0.236 119.802 119.600 -0.056 0.000 2.213 77 M HA -0.182 4.306 4.480 0.012 0.000 0.263 77 M C 2.202 178.471 176.300 -0.052 0.000 1.062 77 M CA 1.683 56.950 55.300 -0.055 0.000 1.105 77 M CB 0.005 32.571 32.600 -0.057 0.000 1.385 77 M HN 0.063 nan 8.290 nan 0.000 0.417 78 S N -0.014 115.654 115.700 -0.052 0.000 2.507 78 S HA -0.035 4.443 4.470 0.012 0.000 0.235 78 S C 1.277 175.840 174.600 -0.063 0.000 0.988 78 S CA 1.133 59.303 58.200 -0.051 0.000 0.944 78 S CB -0.235 62.938 63.200 -0.044 0.000 0.762 78 S HN 0.732 nan 8.310 nan 0.000 0.526 79 S N 0.039 115.700 115.700 -0.065 0.000 3.031 79 S HA 0.174 4.651 4.470 0.012 0.000 0.253 79 S C 0.979 175.533 174.600 -0.077 0.000 0.996 79 S CA -0.495 57.652 58.200 -0.088 0.000 1.098 79 S CB -0.633 62.517 63.200 -0.084 0.000 1.042 79 S HN 0.334 nan 8.310 nan 0.000 0.593 80 I N 1.160 121.695 120.570 -0.059 0.000 2.756 80 I HA 0.059 4.237 4.170 0.012 0.000 0.262 80 I C 1.612 177.702 176.117 -0.045 0.000 1.225 80 I CA 0.821 62.093 61.300 -0.046 0.000 1.472 80 I CB -1.046 36.929 38.000 -0.041 0.000 1.094 80 I HN 0.443 nan 8.210 nan 0.000 0.454 81 N N 1.130 119.794 118.700 -0.060 0.000 2.280 81 N HA -0.006 4.741 4.740 0.012 0.000 0.192 81 N C 0.206 175.667 175.510 -0.081 0.000 1.109 81 N CA 0.086 53.107 53.050 -0.049 0.000 0.855 81 N CB -0.211 38.254 38.487 -0.036 0.000 0.974 81 N HN 0.353 nan 8.380 nan 0.000 0.482 82 K N 1.550 121.851 120.400 -0.164 0.000 2.250 82 K HA 0.089 4.416 4.320 0.012 0.000 0.285 82 K C -0.450 176.087 176.600 -0.105 0.000 1.097 82 K CA -0.511 55.574 56.287 -0.337 0.000 0.913 82 K CB 0.287 32.463 32.500 -0.539 0.000 1.179 82 K HN 0.067 nan 8.250 nan 0.000 0.462 83 N N 2.921 121.660 118.700 0.066 0.000 2.431 83 N HA -0.109 4.638 4.740 0.012 0.000 0.265 83 N C 0.647 176.249 175.510 0.154 0.000 1.184 83 N CA 0.267 53.384 53.050 0.113 0.000 0.943 83 N CB 0.314 38.863 38.487 0.103 0.000 1.080 83 N HN 0.474 nan 8.380 nan 0.000 0.477 84 Y N 4.035 124.336 120.300 0.002 0.000 2.207 84 Y HA -0.176 4.381 4.550 0.012 0.000 0.287 84 Y C 1.923 177.804 175.900 -0.031 0.000 1.156 84 Y CA 1.601 59.703 58.100 0.004 0.000 1.182 84 Y CB -0.159 38.279 38.460 -0.036 0.000 0.979 84 Y HN 0.436 nan 8.280 nan 0.000 0.521 85 V N 0.859 120.677 119.914 -0.160 0.000 3.026 85 V HA -0.174 3.953 4.120 0.012 0.000 0.265 85 V C 0.017 175.877 176.094 -0.390 0.000 1.121 85 V CA 1.579 63.646 62.300 -0.387 0.000 1.142 85 V CB -0.739 30.626 31.823 -0.764 0.000 0.730 85 V HN 0.312 nan 8.190 nan 0.000 0.503 86 D N 0.383 120.617 120.400 -0.277 0.000 2.608 86 D HA 0.067 4.715 4.640 0.012 0.000 0.224 86 D C 1.145 177.237 176.300 -0.346 0.000 1.123 86 D CA 0.188 53.997 54.000 -0.317 0.000 1.030 86 D CB 0.578 41.148 40.800 -0.383 0.000 1.093 86 D HN 0.429 nan 8.370 nan 0.000 0.497 87 M N 0.476 119.893 119.600 -0.304 0.000 2.080 87 M HA -0.245 4.242 4.480 0.012 0.000 0.260 87 M C 1.473 177.652 176.300 -0.202 0.000 1.068 87 M CA 1.756 56.907 55.300 -0.247 0.000 1.109 87 M CB 0.161 32.650 32.600 -0.185 0.000 1.342 87 M HN 0.023 nan 8.290 nan 0.000 0.405 88 D N -0.279 119.997 120.400 -0.206 0.000 2.117 88 D HA -0.195 4.452 4.640 0.012 0.000 0.197 88 D C 1.621 177.785 176.300 -0.227 0.000 0.987 88 D CA 1.797 55.692 54.000 -0.175 0.000 0.829 88 D CB 0.055 40.762 40.800 -0.155 0.000 0.961 88 D HN 0.472 nan 8.370 nan 0.000 0.460 89 E N -1.151 118.812 120.200 -0.395 0.000 2.107 89 E HA -0.070 4.287 4.350 0.012 0.000 0.191 89 E C -0.011 176.281 176.600 -0.514 0.000 0.982 89 E CA 0.819 56.875 56.400 -0.572 0.000 0.809 89 E CB -0.056 29.066 29.700 -0.964 0.000 0.756 89 E HN 0.458 nan 8.360 nan 0.000 0.459 90 Y N -0.866 119.375 120.300 -0.099 0.000 2.837 90 Y HA 0.319 4.876 4.550 0.012 0.000 0.356 90 Y C -2.033 173.809 175.900 -0.096 0.000 1.035 90 Y CA -3.250 54.797 58.100 -0.089 0.000 1.165 90 Y CB 0.776 39.179 38.460 -0.096 0.000 1.147 90 Y HN 0.011 nan 8.280 nan 0.000 0.628 91 P HA -0.164 nan 4.420 nan 0.000 0.216 91 P C 1.641 178.949 177.300 0.013 0.000 1.153 91 P CA 1.244 64.344 63.100 -0.001 0.000 0.848 91 P CB 0.500 32.198 31.700 -0.004 0.000 0.787 92 V N -0.593 119.338 119.914 0.029 0.000 2.358 92 V HA -0.214 3.914 4.120 0.012 0.000 0.246 92 V C 2.341 178.439 176.094 0.008 0.000 1.047 92 V CA 2.424 64.730 62.300 0.009 0.000 1.035 92 V CB -1.983 29.846 31.823 0.010 0.000 0.658 92 V HN 0.165 nan 8.190 nan 0.000 0.452 93 T N -0.081 114.498 114.554 0.041 0.000 2.720 93 T HA -0.220 4.137 4.350 0.012 0.000 0.268 93 T C 1.978 176.751 174.700 0.121 0.000 1.037 93 T CA 2.259 64.404 62.100 0.074 0.000 1.144 93 T CB -0.394 68.522 68.868 0.080 0.000 0.864 93 T HN 0.559 nan 8.240 nan 0.000 0.444 94 T N 1.819 116.395 114.554 0.036 0.000 2.821 94 T HA -0.060 4.297 4.350 0.012 0.000 0.267 94 T C 1.945 176.703 174.700 0.097 0.000 1.046 94 T CA 1.022 63.148 62.100 0.045 0.000 1.139 94 T CB -0.200 68.630 68.868 -0.064 0.000 0.871 94 T HN 0.531 nan 8.240 nan 0.000 0.454 95 E N 0.861 121.082 120.200 0.035 0.000 2.077 95 E HA -0.054 4.303 4.350 0.012 0.000 0.193 95 E C 2.250 178.831 176.600 -0.031 0.000 0.989 95 E CA 0.835 57.240 56.400 0.008 0.000 0.800 95 E CB -0.291 29.396 29.700 -0.023 0.000 0.746 95 E HN 0.428 nan 8.360 nan 0.000 0.452 96 L N 1.072 122.235 121.223 -0.099 0.000 2.079 96 L HA -0.229 4.119 4.340 0.012 0.000 0.210 96 L C 2.819 179.700 176.870 0.017 0.000 1.081 96 L CA 1.071 55.753 54.840 -0.263 0.000 0.752 96 L CB -0.544 41.340 42.059 -0.292 0.000 0.896 96 L HN 0.229 nan 8.230 nan 0.000 0.433 97 Q N 0.552 120.465 119.800 0.189 0.000 2.084 97 Q HA -0.190 4.157 4.340 0.012 0.000 0.202 97 Q C 1.911 178.086 176.000 0.291 0.000 0.978 97 Q CA 1.503 57.517 55.803 0.353 0.000 0.844 97 Q CB -0.018 28.974 28.738 0.423 0.000 0.898 97 Q HN 0.561 nan 8.270 nan 0.000 0.426 98 N N 0.727 119.544 118.700 0.195 0.000 2.120 98 N HA -0.144 4.604 4.740 0.012 0.000 0.188 98 N C 1.843 177.413 175.510 0.100 0.000 1.024 98 N CA 1.151 54.290 53.050 0.149 0.000 0.852 98 N CB -0.368 38.186 38.487 0.111 0.000 1.003 98 N HN 0.264 nan 8.380 nan 0.000 0.424 99 R N 0.201 120.744 120.500 0.073 0.000 2.081 99 R HA 0.016 4.363 4.340 0.012 0.000 0.235 99 R C 2.378 178.726 176.300 0.079 0.000 1.131 99 R CA 1.111 57.267 56.100 0.094 0.000 0.960 99 R CB -0.547 29.826 30.300 0.122 0.000 0.856 99 R HN 0.249 nan 8.270 nan 0.000 0.436 100 C N 0.073 119.398 119.300 0.041 0.000 2.429 100 C HA -0.071 4.396 4.460 0.012 0.000 0.277 100 C C 2.730 177.467 174.990 -0.422 0.000 1.262 100 C CA 0.472 59.350 59.018 -0.233 0.000 1.733 100 C CB -0.642 26.841 27.740 -0.429 0.000 2.010 100 C HN 0.299 nan 8.230 nan 0.000 0.483 101 V N 1.992 121.773 119.914 -0.222 0.000 2.287 101 V HA -0.231 3.896 4.120 0.012 0.000 0.248 101 V C 2.205 178.259 176.094 -0.067 0.000 1.053 101 V CA 2.217 64.462 62.300 -0.092 0.000 1.027 101 V CB -0.725 31.179 31.823 0.135 0.000 0.646 101 V HN 0.530 nan 8.190 nan 0.000 0.447 102 N N -0.022 118.679 118.700 0.000 0.000 2.069 102 N HA -0.152 4.595 4.740 0.012 0.000 0.191 102 N C 1.810 177.370 175.510 0.085 0.000 1.031 102 N CA 1.772 54.862 53.050 0.067 0.000 0.852 102 N CB -0.417 38.139 38.487 0.116 0.000 1.018 102 N HN 0.423 nan 8.380 nan 0.000 0.423 103 M N 0.107 119.701 119.600 -0.010 0.000 2.175 103 M HA -0.035 4.452 4.480 0.012 0.000 0.264 103 M C 1.947 178.136 176.300 -0.186 0.000 1.063 103 M CA 1.163 56.430 55.300 -0.056 0.000 1.119 103 M CB -0.268 32.280 32.600 -0.087 0.000 1.377 103 M HN 0.069 nan 8.290 nan 0.000 0.415 104 I N 0.035 120.401 120.570 -0.339 0.000 2.315 104 I HA -0.200 3.977 4.170 0.012 0.000 0.248 104 I C 2.728 178.488 176.117 -0.596 0.000 1.117 104 I CA 0.909 61.840 61.300 -0.615 0.000 1.404 104 I CB -0.548 37.034 38.000 -0.697 0.000 1.071 104 I HN 0.227 nan 8.210 nan 0.000 0.419 105 A N 0.480 123.143 122.820 -0.261 0.000 1.877 105 A HA -0.275 4.053 4.320 0.012 0.000 0.216 105 A C 2.074 179.588 177.584 -0.117 0.000 1.186 105 A CA 1.909 53.879 52.037 -0.112 0.000 0.620 105 A CB -1.090 17.847 19.000 -0.105 0.000 0.822 105 A HN 0.418 nan 8.150 nan 0.000 0.443 106 H N -1.425 117.586 119.070 -0.099 0.000 2.387 106 H HA -0.064 4.499 4.556 0.012 0.000 0.299 106 H C 1.865 177.143 175.328 -0.083 0.000 1.090 106 H CA 1.465 57.477 56.048 -0.060 0.000 1.332 106 H CB -0.100 29.634 29.762 -0.046 0.000 1.386 106 H HN 0.388 nan 8.280 nan 0.000 0.516 107 L N -0.293 120.870 121.223 -0.100 0.000 2.127 107 L HA -0.150 4.198 4.340 0.012 0.000 0.211 107 L C 0.725 177.541 176.870 -0.090 0.000 1.089 107 L CA 1.498 56.218 54.840 -0.201 0.000 0.757 107 L CB -0.325 41.440 42.059 -0.491 0.000 0.899 107 L HN 0.174 nan 8.230 nan 0.000 0.434 108 F N 0.296 120.168 119.950 -0.130 0.000 2.660 108 F HA 0.256 4.790 4.527 0.012 0.000 0.302 108 F C 1.051 176.754 175.800 -0.163 0.000 1.103 108 F CA -0.841 56.994 58.000 -0.275 0.000 1.340 108 F CB -1.167 37.637 39.000 -0.326 0.000 1.048 108 F HN 0.154 nan 8.300 nan 0.000 0.551 109 N N 0.072 118.825 118.700 0.088 0.000 2.754 109 N HA -0.184 4.563 4.740 0.012 0.000 0.248 109 N C 0.347 175.923 175.510 0.109 0.000 1.093 109 N CA 0.709 53.792 53.050 0.054 0.000 0.699 109 N CB -1.157 37.314 38.487 -0.027 0.000 1.016 109 N HN 0.288 nan 8.380 nan 0.000 0.552 110 A N 0.549 123.441 122.820 0.121 0.000 2.466 110 A HA 0.327 4.654 4.320 0.012 0.000 0.238 110 A C -1.678 175.791 177.584 -0.193 0.000 1.074 110 A CA -0.527 51.425 52.037 -0.143 0.000 0.774 110 A CB 0.053 18.864 19.000 -0.314 0.000 1.015 110 A HN -0.013 nan 8.150 nan 0.000 0.498 111 P HA 0.304 nan 4.420 nan 0.000 0.259 111 P C -1.020 176.190 177.300 -0.151 0.000 1.635 111 P CA 0.591 63.604 63.100 -0.144 0.000 1.199 111 P CB -0.158 31.464 31.700 -0.131 0.000 1.850 112 L N 1.352 122.486 121.223 -0.149 0.000 2.354 112 L HA 0.383 4.730 4.340 0.012 0.000 0.269 112 L C 0.941 177.803 176.870 -0.013 0.000 1.005 112 L CA -0.673 54.087 54.840 -0.133 0.000 0.819 112 L CB 2.625 44.482 42.059 -0.338 0.000 1.311 112 L HN 0.120 nan 8.230 nan 0.000 0.423 113 E N 2.398 122.607 120.200 0.016 0.000 2.341 113 E HA 0.038 4.396 4.350 0.012 0.000 0.279 113 E C 0.606 177.252 176.600 0.076 0.000 1.395 113 E CA 0.214 56.637 56.400 0.039 0.000 1.648 113 E CB 0.192 29.902 29.700 0.017 0.000 1.524 113 E HN 0.694 nan 8.360 nan 0.000 0.462 114 E N 0.199 120.487 120.200 0.147 0.000 4.153 114 E HA -0.373 3.985 4.350 0.012 0.000 0.193 114 E C 0.339 177.004 176.600 0.108 0.000 1.249 114 E CA 1.686 58.159 56.400 0.122 0.000 2.292 114 E CB -1.621 28.108 29.700 0.049 0.000 1.844 114 E HN 0.362 nan 8.360 nan 0.000 0.356 115 A N 1.509 124.373 122.820 0.073 0.000 2.423 115 A HA 0.244 4.571 4.320 0.012 0.000 0.246 115 A C 0.504 178.128 177.584 0.067 0.000 1.278 115 A CA 0.451 52.525 52.037 0.061 0.000 0.903 115 A CB 0.053 19.075 19.000 0.035 0.000 0.997 115 A HN 0.355 nan 8.150 nan 0.000 0.510 116 E N 0.671 120.916 120.200 0.074 0.000 2.373 116 E HA 0.202 4.560 4.350 0.012 0.000 0.267 116 E C -0.641 175.992 176.600 0.055 0.000 1.032 116 E CA -0.101 56.328 56.400 0.047 0.000 0.889 116 E CB 0.534 30.246 29.700 0.020 0.000 0.984 116 E HN 0.227 nan 8.360 nan 0.000 0.425 117 T N 2.971 117.550 114.554 0.041 0.000 2.814 117 T HA 0.326 4.683 4.350 0.012 0.000 0.297 117 T C -0.049 174.669 174.700 0.030 0.000 0.956 117 T CA -0.324 61.805 62.100 0.047 0.000 1.123 117 T CB 1.053 69.950 68.868 0.049 0.000 0.902 117 T HN 0.556 nan 8.240 nan 0.000 0.528 118 A N 3.421 126.261 122.820 0.033 0.000 2.346 118 A HA 0.522 4.850 4.320 0.012 0.000 0.252 118 A C 0.082 177.707 177.584 0.070 0.000 1.089 118 A CA -0.550 51.494 52.037 0.011 0.000 0.797 118 A CB 0.365 19.360 19.000 -0.008 0.000 1.047 118 A HN 0.664 nan 8.150 nan 0.000 0.494 119 V N 1.433 121.402 119.914 0.092 0.000 2.333 119 V HA 0.679 4.806 4.120 0.012 0.000 0.274 119 V C 0.672 176.996 176.094 0.383 0.000 1.028 119 V CA 0.755 63.170 62.300 0.193 0.000 0.851 119 V CB 0.210 32.123 31.823 0.150 0.000 1.000 119 V HN 1.476 nan 8.190 nan 0.000 0.456 120 G N 3.399 112.462 108.800 0.438 0.000 2.368 120 G HA2 0.621 4.588 3.960 0.012 0.000 0.293 120 G HA3 0.621 4.588 3.960 0.012 0.000 0.293 120 G C -1.492 173.696 174.900 0.480 0.000 1.467 120 G CA 0.102 45.521 45.100 0.531 0.000 0.804 120 G HN 1.214 nan 8.290 nan 0.000 0.535 121 V N -2.135 118.061 119.914 0.470 0.000 3.049 121 V HA 0.982 5.109 4.120 0.012 0.000 0.309 121 V C 0.438 176.702 176.094 0.283 0.000 1.148 121 V CA -0.257 62.269 62.300 0.378 0.000 0.990 121 V CB 1.575 33.602 31.823 0.340 0.000 1.039 121 V HN 1.895 nan 8.190 nan 0.000 0.430 122 G N 1.550 110.403 108.800 0.088 0.000 2.415 122 G HA2 0.628 4.596 3.960 0.012 0.000 0.269 122 G HA3 0.628 4.596 3.960 0.012 0.000 0.269 122 G C -0.011 174.621 174.900 -0.447 0.000 1.209 122 G CA 0.369 45.124 45.100 -0.575 0.000 0.835 122 G HN 1.512 nan 8.290 nan 0.000 0.534 123 T N -1.578 112.654 114.554 -0.537 0.000 2.831 123 T HA 0.388 4.746 4.350 0.012 0.000 0.287 123 T C 1.124 175.630 174.700 -0.323 0.000 1.070 123 T CA -0.474 61.430 62.100 -0.327 0.000 1.010 123 T CB 1.391 70.129 68.868 -0.217 0.000 1.264 123 T HN 0.148 nan 8.240 nan 0.000 0.532 124 V N 0.364 120.168 119.914 -0.183 0.000 2.515 124 V HA 0.348 4.476 4.120 0.012 0.000 0.250 124 V C 1.475 177.551 176.094 -0.030 0.000 1.058 124 V CA 2.084 64.324 62.300 -0.100 0.000 1.064 124 V CB -0.741 31.058 31.823 -0.041 0.000 0.675 124 V HN 1.262 nan 8.190 nan 0.000 0.461 125 G N -2.557 106.206 108.800 -0.062 0.000 2.489 125 G HA2 0.320 4.287 3.960 0.012 0.000 0.305 125 G HA3 0.320 4.287 3.960 0.012 0.000 0.305 125 G C 0.232 175.084 174.900 -0.079 0.000 1.311 125 G CA 0.453 45.540 45.100 -0.023 0.000 0.813 125 G HN -0.189 nan 8.290 nan 0.000 0.480 126 S N -0.500 115.171 115.700 -0.048 0.000 2.423 126 S HA -0.090 4.387 4.470 0.012 0.000 0.231 126 S C 2.570 177.110 174.600 -0.100 0.000 1.014 126 S CA 1.797 59.965 58.200 -0.054 0.000 0.965 126 S CB -0.213 62.980 63.200 -0.011 0.000 0.785 126 S HN 0.694 nan 8.310 nan 0.000 0.495 127 S N 1.419 117.078 115.700 -0.067 0.000 2.359 127 S HA -0.220 4.257 4.470 0.012 0.000 0.223 127 S C 1.951 176.482 174.600 -0.114 0.000 1.039 127 S CA 1.824 59.967 58.200 -0.095 0.000 1.042 127 S CB -0.406 62.781 63.200 -0.022 0.000 0.915 127 S HN 0.684 nan 8.310 nan 0.000 0.439 128 E N 0.103 120.255 120.200 -0.079 0.000 2.106 128 E HA -0.064 4.293 4.350 0.012 0.000 0.192 128 E C 2.086 178.599 176.600 -0.144 0.000 0.984 128 E CA 0.893 57.242 56.400 -0.085 0.000 0.806 128 E CB -0.393 29.263 29.700 -0.073 0.000 0.750 128 E HN 0.594 nan 8.360 nan 0.000 0.458 129 A N 1.178 123.908 122.820 -0.150 0.000 1.902 129 A HA -0.147 4.180 4.320 0.012 0.000 0.217 129 A C 2.145 179.591 177.584 -0.229 0.000 1.181 129 A CA 1.190 53.135 52.037 -0.154 0.000 0.623 129 A CB -0.553 18.387 19.000 -0.099 0.000 0.818 129 A HN 0.337 nan 8.150 nan 0.000 0.443 130 I N -0.859 119.512 120.570 -0.330 0.000 2.252 130 I HA -0.282 3.895 4.170 0.012 0.000 0.245 130 I C 2.636 178.324 176.117 -0.716 0.000 1.102 130 I CA 1.477 62.387 61.300 -0.649 0.000 1.385 130 I CB -0.245 37.162 38.000 -0.988 0.000 1.064 130 I HN 0.345 nan 8.210 nan 0.000 0.414 131 M N -0.199 119.131 119.600 -0.450 0.000 2.319 131 M HA -0.135 4.352 4.480 0.012 0.000 0.265 131 M C 2.205 178.333 176.300 -0.285 0.000 1.068 131 M CA 1.483 56.589 55.300 -0.324 0.000 1.118 131 M CB -0.137 32.481 32.600 0.030 0.000 1.395 131 M HN 0.234 nan 8.290 nan 0.000 0.435 132 L N -0.409 120.690 121.223 -0.208 0.000 2.072 132 L HA -0.088 4.259 4.340 0.012 0.000 0.205 132 L C 2.861 179.868 176.870 0.229 0.000 1.079 132 L CA 0.978 55.772 54.840 -0.076 0.000 0.752 132 L CB -0.882 41.035 42.059 -0.238 0.000 0.906 132 L HN 0.265 nan 8.230 nan 0.000 0.436 133 A N 0.537 123.363 122.820 0.010 0.000 1.902 133 A HA -0.138 4.189 4.320 0.012 0.000 0.217 133 A C 2.398 179.929 177.584 -0.088 0.000 1.181 133 A CA 1.825 53.838 52.037 -0.041 0.000 0.623 133 A CB -1.276 17.498 19.000 -0.377 0.000 0.818 133 A HN 0.438 nan 8.150 nan 0.000 0.443 134 G N -0.337 108.253 108.800 -0.350 0.000 2.421 134 G HA2 -0.170 3.797 3.960 0.012 0.000 0.216 134 G HA3 -0.170 3.797 3.960 0.012 0.000 0.216 134 G C 1.585 176.528 174.900 0.073 0.000 1.171 134 G CA 0.989 45.796 45.100 -0.489 0.000 0.775 134 G HN 0.416 nan 8.290 nan 0.000 0.543 135 L N 0.637 121.903 121.223 0.072 0.000 2.042 135 L HA -0.129 4.218 4.340 0.012 0.000 0.210 135 L C 3.433 180.428 176.870 0.208 0.000 1.076 135 L CA 1.197 56.147 54.840 0.183 0.000 0.749 135 L CB -0.329 41.837 42.059 0.178 0.000 0.893 135 L HN 0.328 nan 8.230 nan 0.000 0.432 136 A N -0.429 122.501 122.820 0.183 0.000 1.902 136 A HA -0.231 4.096 4.320 0.012 0.000 0.217 136 A C 1.992 179.618 177.584 0.070 0.000 1.181 136 A CA 1.590 53.644 52.037 0.028 0.000 0.623 136 A CB -0.782 18.210 19.000 -0.014 0.000 0.818 136 A HN 0.297 nan 8.150 nan 0.000 0.443 137 F N 0.119 120.194 119.950 0.208 0.000 2.075 137 F HA -0.112 4.422 4.527 0.012 0.000 0.297 137 F C 2.290 178.229 175.800 0.231 0.000 1.113 137 F CA 1.723 59.841 58.000 0.198 0.000 1.218 137 F CB -0.542 38.546 39.000 0.146 0.000 0.984 137 F HN 0.209 nan 8.300 nan 0.000 0.472 138 K N -0.032 120.630 120.400 0.435 0.000 2.009 138 K HA -0.257 4.070 4.320 0.012 0.000 0.210 138 K C 2.413 179.258 176.600 0.408 0.000 1.049 138 K CA 1.572 58.096 56.287 0.395 0.000 0.929 138 K CB -0.101 32.612 32.500 0.355 0.000 0.714 138 K HN -0.081 nan 8.250 nan 0.000 0.440 139 R N 1.525 122.195 120.500 0.283 0.000 2.073 139 R HA -0.091 4.256 4.340 0.012 0.000 0.234 139 R C 2.067 178.471 176.300 0.174 0.000 1.134 139 R CA 1.879 58.095 56.100 0.194 0.000 0.952 139 R CB -0.388 29.973 30.300 0.103 0.000 0.850 139 R HN 0.172 nan 8.270 nan 0.000 0.433 140 K N -1.319 119.189 120.400 0.181 0.000 2.103 140 K HA -0.201 4.127 4.320 0.012 0.000 0.207 140 K C 1.924 178.658 176.600 0.223 0.000 1.048 140 K CA 1.674 58.057 56.287 0.161 0.000 0.930 140 K CB -0.359 32.243 32.500 0.171 0.000 0.716 140 K HN 0.323 nan 8.250 nan 0.000 0.444 141 W N 1.675 123.047 121.300 0.120 0.000 2.409 141 W HA -0.119 4.549 4.660 0.012 0.000 0.299 141 W C 1.885 178.443 176.519 0.065 0.000 1.203 141 W CA 1.269 58.673 57.345 0.099 0.000 1.298 141 W CB -0.081 29.446 29.460 0.112 0.000 1.127 141 W HN 0.095 nan 8.180 nan 0.000 0.528 142 Q N 0.255 120.134 119.800 0.133 0.000 2.061 142 Q HA -0.261 4.087 4.340 0.012 0.000 0.204 142 Q C 1.987 177.887 176.000 -0.167 0.000 0.984 142 Q CA 1.920 57.653 55.803 -0.116 0.000 0.846 142 Q CB -0.606 28.195 28.738 0.106 0.000 0.902 142 Q HN 0.292 nan 8.270 nan 0.000 0.421 143 N N 0.778 119.444 118.700 -0.057 0.000 2.069 143 N HA -0.181 4.567 4.740 0.012 0.000 0.191 143 N C 1.503 176.955 175.510 -0.097 0.000 1.031 143 N CA 1.195 54.209 53.050 -0.060 0.000 0.852 143 N CB -0.256 38.218 38.487 -0.022 0.000 1.018 143 N HN 0.194 nan 8.380 nan 0.000 0.423 144 K N 0.809 121.146 120.400 -0.104 0.000 2.057 144 K HA -0.053 4.274 4.320 0.012 0.000 0.207 144 K C 1.897 178.391 176.600 -0.177 0.000 1.049 144 K CA 0.948 57.173 56.287 -0.103 0.000 0.931 144 K CB 0.186 32.653 32.500 -0.055 0.000 0.714 144 K HN 0.059 nan 8.250 nan 0.000 0.440 145 R N 0.749 121.044 120.500 -0.343 0.000 2.062 145 R HA -0.060 4.288 4.340 0.012 0.000 0.229 145 R C 2.202 178.363 176.300 -0.233 0.000 1.128 145 R CA 1.230 57.104 56.100 -0.377 0.000 0.960 145 R CB -0.332 29.534 30.300 -0.723 0.000 0.855 145 R HN 0.222 nan 8.270 nan 0.000 0.432 146 K N 0.627 120.902 120.400 -0.208 0.000 2.152 146 K HA -0.071 4.256 4.320 0.012 0.000 0.206 146 K C 2.009 178.557 176.600 -0.087 0.000 1.048 146 K CA 1.391 57.603 56.287 -0.126 0.000 0.933 146 K CB -0.106 32.336 32.500 -0.097 0.000 0.721 146 K HN 0.133 nan 8.250 nan 0.000 0.447 147 A N 1.197 123.966 122.820 -0.085 0.000 2.066 147 A HA -0.129 4.199 4.320 0.012 0.000 0.218 147 A C 1.392 178.948 177.584 -0.047 0.000 1.157 147 A CA 1.139 53.143 52.037 -0.055 0.000 0.670 147 A CB -0.093 18.879 19.000 -0.046 0.000 0.804 147 A HN 0.283 nan 8.150 nan 0.000 0.453 148 E N -1.515 118.649 120.200 -0.060 0.000 2.474 148 E HA 0.301 4.658 4.350 0.012 0.000 0.195 148 E C 1.093 177.669 176.600 -0.040 0.000 1.039 148 E CA 0.217 56.592 56.400 -0.041 0.000 0.881 148 E CB 0.112 29.791 29.700 -0.036 0.000 0.970 148 E HN 0.646 nan 8.360 nan 0.000 0.486 149 G N 2.127 110.895 108.800 -0.053 0.000 2.184 149 G HA2 -0.345 3.622 3.960 0.012 0.000 0.264 149 G HA3 -0.345 3.622 3.960 0.012 0.000 0.264 149 G C 0.230 175.100 174.900 -0.050 0.000 0.975 149 G CA 0.455 45.529 45.100 -0.044 0.000 0.642 149 G HN 0.192 nan 8.290 nan 0.000 0.536 150 K N 0.927 121.283 120.400 -0.074 0.000 2.168 150 K HA 0.463 4.790 4.320 0.012 0.000 0.258 150 K C -2.255 174.281 176.600 -0.106 0.000 1.010 150 K CA -1.553 54.687 56.287 -0.078 0.000 0.929 150 K CB 0.570 33.016 32.500 -0.090 0.000 0.998 150 K HN 0.066 nan 8.250 nan 0.000 0.479 151 P HA 0.008 nan 4.420 nan 0.000 0.274 151 P C -0.324 176.932 177.300 -0.074 0.000 1.231 151 P CA -0.387 62.688 63.100 -0.042 0.000 0.790 151 P CB 0.633 32.340 31.700 0.011 0.000 0.951 152 V N -1.946 117.956 119.914 -0.019 0.000 2.967 152 V HA 0.233 4.360 4.120 0.012 0.000 0.364 152 V C 0.387 176.645 176.094 0.274 0.000 1.373 152 V CA -0.121 62.202 62.300 0.038 0.000 1.193 152 V CB 0.020 31.762 31.823 -0.136 0.000 1.236 152 V HN 0.491 nan 8.190 nan 0.000 0.582 153 D N 0.551 121.077 120.400 0.210 0.000 2.360 153 D HA 0.070 4.717 4.640 0.012 0.000 0.210 153 D C 0.600 176.986 176.300 0.144 0.000 1.047 153 D CA -0.010 54.084 54.000 0.156 0.000 0.854 153 D CB 0.474 41.329 40.800 0.091 0.000 0.936 153 D HN 0.580 nan 8.370 nan 0.000 0.514 154 K N 1.210 121.719 120.400 0.182 0.000 3.084 154 K HA 0.320 4.647 4.320 0.012 0.000 0.172 154 K C -2.781 173.799 176.600 -0.033 0.000 1.078 154 K CA -1.420 54.911 56.287 0.072 0.000 0.875 154 K CB 1.853 34.385 32.500 0.053 0.000 1.064 154 K HN 0.031 nan 8.250 nan 0.000 0.597 155 P HA 0.068 nan 4.420 nan 0.000 0.274 155 P C -0.967 176.138 177.300 -0.325 0.000 1.231 155 P CA -0.369 62.399 63.100 -0.555 0.000 0.790 155 P CB 0.620 32.008 31.700 -0.519 0.000 0.951 156 N N 0.471 118.945 118.700 -0.377 0.000 2.610 156 N HA 0.617 5.364 4.740 0.012 0.000 0.264 156 N C -1.618 173.780 175.510 -0.187 0.000 1.348 156 N CA -0.816 52.112 53.050 -0.204 0.000 0.819 156 N CB 1.076 39.468 38.487 -0.158 0.000 1.521 156 N HN 0.159 nan 8.380 nan 0.000 0.497 157 I N 0.474 120.985 120.570 -0.097 0.000 2.608 157 I HA 0.461 4.639 4.170 0.012 0.000 0.295 157 I C -0.971 175.067 176.117 -0.132 0.000 1.049 157 I CA -1.323 59.910 61.300 -0.113 0.000 1.063 157 I CB 2.328 40.319 38.000 -0.014 0.000 1.248 157 I HN 0.319 nan 8.210 nan 0.000 0.424 158 V N 4.518 124.326 119.914 -0.177 0.000 2.384 158 V HA 0.572 4.700 4.120 0.012 0.000 0.287 158 V C 0.070 176.040 176.094 -0.207 0.000 1.020 158 V CA -0.226 61.982 62.300 -0.154 0.000 0.850 158 V CB 1.449 33.202 31.823 -0.117 0.000 0.987 158 V HN 0.947 nan 8.190 nan 0.000 0.436 159 T N 1.563 116.006 114.554 -0.186 0.000 2.778 159 T HA 0.763 5.121 4.350 0.012 0.000 0.293 159 T C 0.134 174.762 174.700 -0.120 0.000 1.144 159 T CA -0.319 61.651 62.100 -0.216 0.000 1.010 159 T CB 1.609 70.273 68.868 -0.341 0.000 1.325 159 T HN 0.796 nan 8.240 nan 0.000 0.515 160 G N -0.833 107.908 108.800 -0.099 0.000 2.528 160 G HA2 0.525 4.492 3.960 0.012 0.000 0.289 160 G HA3 0.525 4.492 3.960 0.012 0.000 0.289 160 G C 1.030 175.921 174.900 -0.015 0.000 1.192 160 G CA -0.428 44.652 45.100 -0.033 0.000 0.921 160 G HN 1.135 nan 8.290 nan 0.000 0.512 161 A N 0.453 123.285 122.820 0.020 0.000 2.172 161 A HA -0.050 4.277 4.320 0.012 0.000 0.216 161 A C 1.934 179.550 177.584 0.053 0.000 1.154 161 A CA 1.350 53.409 52.037 0.037 0.000 0.701 161 A CB -0.342 18.689 19.000 0.052 0.000 0.789 161 A HN 0.683 nan 8.150 nan 0.000 0.465 162 N N 0.268 119.000 118.700 0.055 0.000 2.515 162 N HA -0.009 4.738 4.740 0.012 0.000 0.191 162 N C 0.351 175.886 175.510 0.042 0.000 1.182 162 N CA 0.302 53.390 53.050 0.063 0.000 0.879 162 N CB -0.722 37.810 38.487 0.076 0.000 0.984 162 N HN 0.198 nan 8.380 nan 0.000 0.453 163 V N 1.299 121.229 119.914 0.027 0.000 2.788 163 V HA -0.066 4.061 4.120 0.012 0.000 0.307 163 V C 0.483 176.644 176.094 0.113 0.000 1.069 163 V CA -0.038 62.286 62.300 0.039 0.000 1.173 163 V CB 0.805 32.625 31.823 -0.004 0.000 0.925 163 V HN 0.366 nan 8.190 nan 0.000 0.492 164 Q N 3.681 123.597 119.800 0.194 0.000 2.340 164 Q HA 0.174 4.521 4.340 0.012 0.000 0.249 164 Q C 1.045 177.154 176.000 0.181 0.000 0.957 164 Q CA 0.004 55.903 55.803 0.159 0.000 0.882 164 Q CB 1.739 30.559 28.738 0.136 0.000 1.235 164 Q HN 0.755 nan 8.270 nan 0.000 0.439 165 V N 2.236 122.207 119.914 0.095 0.000 2.527 165 V HA -0.369 3.759 4.120 0.012 0.000 0.255 165 V C 2.149 178.282 176.094 0.065 0.000 1.081 165 V CA 1.815 64.159 62.300 0.073 0.000 1.092 165 V CB -0.877 30.969 31.823 0.039 0.000 0.673 165 V HN 0.816 nan 8.190 nan 0.000 0.470 166 C N -1.167 118.152 119.300 0.032 0.000 2.419 166 C HA -0.159 4.308 4.460 0.012 0.000 0.281 166 C C 2.391 177.320 174.990 -0.102 0.000 1.336 166 C CA 0.284 59.258 59.018 -0.074 0.000 1.770 166 C CB -1.452 26.177 27.740 -0.185 0.000 1.929 166 C HN 0.768 nan 8.230 nan 0.000 0.509 167 W N 1.088 122.419 121.300 0.051 0.000 2.518 167 W HA 0.010 4.677 4.660 0.012 0.000 0.273 167 W C 2.390 178.973 176.519 0.105 0.000 1.247 167 W CA 0.452 57.849 57.345 0.087 0.000 1.288 167 W CB -0.401 29.083 29.460 0.041 0.000 1.107 167 W HN 0.409 nan 8.180 nan 0.000 0.586 168 E N 0.548 120.882 120.200 0.224 0.000 2.107 168 E HA -0.145 4.212 4.350 0.012 0.000 0.191 168 E C 1.947 178.514 176.600 -0.056 0.000 0.982 168 E CA 0.878 57.331 56.400 0.088 0.000 0.809 168 E CB -0.197 29.532 29.700 0.047 0.000 0.756 168 E HN 0.289 nan 8.360 nan 0.000 0.459 169 K N 0.629 120.963 120.400 -0.110 0.000 2.009 169 K HA -0.168 4.159 4.320 0.012 0.000 0.210 169 K C 2.123 178.537 176.600 -0.310 0.000 1.049 169 K CA 1.273 57.315 56.287 -0.409 0.000 0.929 169 K CB -0.397 31.994 32.500 -0.182 0.000 0.714 169 K HN 0.082 nan 8.250 nan 0.000 0.440 170 F N 2.016 121.932 119.950 -0.056 0.000 2.069 170 F HA -0.264 4.270 4.527 0.012 0.000 0.298 170 F C 2.283 178.215 175.800 0.220 0.000 1.113 170 F CA 1.611 59.727 58.000 0.194 0.000 1.214 170 F CB -0.536 38.502 39.000 0.062 0.000 0.978 170 F HN 0.016 nan 8.300 nan 0.000 0.474 171 A N 0.580 123.436 122.820 0.061 0.000 1.892 171 A HA -0.262 4.065 4.320 0.012 0.000 0.218 171 A C 2.423 179.927 177.584 -0.134 0.000 1.188 171 A CA 2.086 54.090 52.037 -0.056 0.000 0.631 171 A CB -0.973 18.076 19.000 0.083 0.000 0.822 171 A HN 0.533 nan 8.150 nan 0.000 0.447 172 R N -2.106 118.293 120.500 -0.168 0.000 2.073 172 R HA -0.122 4.225 4.340 0.012 0.000 0.229 172 R C 1.926 178.189 176.300 -0.062 0.000 1.120 172 R CA 1.643 57.652 56.100 -0.152 0.000 0.967 172 R CB -0.334 29.827 30.300 -0.232 0.000 0.862 172 R HN 0.562 nan 8.270 nan 0.000 0.436 173 Y N -0.902 119.306 120.300 -0.153 0.000 2.337 173 Y HA -0.013 4.544 4.550 0.012 0.000 0.293 173 Y C 1.229 176.807 175.900 -0.537 0.000 1.123 173 Y CA 0.507 58.401 58.100 -0.343 0.000 1.201 173 Y CB -0.187 38.016 38.460 -0.429 0.000 1.011 173 Y HN 0.009 nan 8.280 nan 0.000 0.545 174 F N 0.015 119.875 119.950 -0.150 0.000 2.639 174 F HA 0.224 4.758 4.527 0.012 0.000 0.300 174 F C 0.277 175.940 175.800 -0.229 0.000 1.109 174 F CA -0.621 57.231 58.000 -0.245 0.000 1.335 174 F CB -0.561 38.122 39.000 -0.530 0.000 1.014 174 F HN -0.090 nan 8.300 nan 0.000 0.537 175 E N 0.402 120.566 120.200 -0.060 0.000 2.210 175 E HA -0.165 4.193 4.350 0.012 0.000 0.201 175 E C -0.963 175.610 176.600 -0.046 0.000 1.339 175 E CA -0.062 56.317 56.400 -0.035 0.000 0.699 175 E CB -1.297 28.405 29.700 0.003 0.000 1.126 175 E HN 0.104 nan 8.360 nan 0.000 0.355 176 V N 0.754 120.609 119.914 -0.097 0.000 2.680 176 V HA 0.256 4.383 4.120 0.012 0.000 0.309 176 V C 0.333 176.405 176.094 -0.037 0.000 1.052 176 V CA -0.713 61.543 62.300 -0.073 0.000 0.908 176 V CB 1.926 33.709 31.823 -0.067 0.000 1.001 176 V HN 0.305 nan 8.190 nan 0.000 0.431 177 E N 2.633 122.808 120.200 -0.041 0.000 2.289 177 E HA 0.335 4.692 4.350 0.012 0.000 0.278 177 E C -1.312 175.281 176.600 -0.011 0.000 1.032 177 E CA -0.681 55.702 56.400 -0.028 0.000 0.854 177 E CB 1.280 30.954 29.700 -0.042 0.000 1.046 177 E HN 0.475 nan 8.360 nan 0.000 0.409 178 L N 5.389 126.615 121.223 0.006 0.000 2.264 178 L HA 0.284 4.631 4.340 0.012 0.000 0.287 178 L C -0.781 176.082 176.870 -0.011 0.000 1.039 178 L CA -0.092 54.757 54.840 0.016 0.000 0.829 178 L CB 0.624 42.713 42.059 0.050 0.000 1.211 178 L HN 0.433 nan 8.230 nan 0.000 0.427 179 K N 4.688 125.068 120.400 -0.034 0.000 2.267 179 K HA 0.331 4.658 4.320 0.012 0.000 0.282 179 K C -0.610 175.965 176.600 -0.043 0.000 1.078 179 K CA -0.193 56.071 56.287 -0.038 0.000 0.903 179 K CB 0.831 33.301 32.500 -0.051 0.000 1.111 179 K HN 0.550 nan 8.250 nan 0.000 0.475 180 E N 2.026 122.210 120.200 -0.026 0.000 2.175 180 E HA 0.180 4.537 4.350 0.012 0.000 0.278 180 E C -0.680 175.909 176.600 -0.019 0.000 0.969 180 E CA -0.801 55.584 56.400 -0.025 0.000 0.796 180 E CB 2.015 31.711 29.700 -0.006 0.000 1.104 180 E HN 0.173 nan 8.360 nan 0.000 0.395 181 V N 4.307 124.208 119.914 -0.022 0.000 2.427 181 V HA 0.069 4.196 4.120 0.012 0.000 0.268 181 V C 0.398 176.495 176.094 0.004 0.000 1.046 181 V CA -0.262 62.031 62.300 -0.013 0.000 0.970 181 V CB 0.280 32.095 31.823 -0.014 0.000 1.001 181 V HN 0.565 nan 8.190 nan 0.000 0.476 182 K N 3.661 124.063 120.400 0.004 0.000 2.276 182 K HA 0.329 4.656 4.320 0.012 0.000 0.259 182 K C -0.560 176.056 176.600 0.027 0.000 1.001 182 K CA -0.587 55.711 56.287 0.019 0.000 0.927 182 K CB 0.451 32.960 32.500 0.015 0.000 0.969 182 K HN 0.299 nan 8.250 nan 0.000 0.490 183 L N 1.118 122.371 121.223 0.051 0.000 2.357 183 L HA 0.241 4.589 4.340 0.012 0.000 0.273 183 L C 0.017 176.898 176.870 0.019 0.000 1.080 183 L CA 0.382 55.258 54.840 0.062 0.000 0.803 183 L CB 1.602 43.725 42.059 0.107 0.000 1.174 183 L HN 0.566 nan 8.230 nan 0.000 0.443 184 S N 0.275 115.961 115.700 -0.024 0.000 2.621 184 S HA 0.360 4.838 4.470 0.012 0.000 0.302 184 S C -0.495 174.020 174.600 -0.142 0.000 1.093 184 S CA -0.810 57.358 58.200 -0.053 0.000 1.017 184 S CB 1.480 64.624 63.200 -0.093 0.000 1.077 184 S HN 0.540 nan 8.310 nan 0.000 0.517 185 E N 0.369 120.536 120.200 -0.055 0.000 2.493 185 E HA 0.297 4.654 4.350 0.012 0.000 0.255 185 E C 1.088 177.577 176.600 -0.185 0.000 0.999 185 E CA 0.843 57.198 56.400 -0.075 0.000 0.934 185 E CB -0.175 29.597 29.700 0.121 0.000 0.940 185 E HN 0.953 nan 8.360 nan 0.000 0.473 186 G N 3.912 112.461 108.800 -0.419 0.000 2.179 186 G HA2 -0.331 3.636 3.960 0.012 0.000 0.260 186 G HA3 -0.331 3.636 3.960 0.012 0.000 0.260 186 G C -0.349 174.315 174.900 -0.395 0.000 0.977 186 G CA 0.466 45.411 45.100 -0.259 0.000 0.641 186 G HN 0.615 nan 8.290 nan 0.000 0.533 187 Y N 0.224 120.035 120.300 -0.814 0.000 2.594 187 Y HA 0.574 5.131 4.550 0.012 0.000 0.338 187 Y C 0.458 176.053 175.900 -0.508 0.000 1.019 187 Y CA -1.149 56.672 58.100 -0.465 0.000 1.306 187 Y CB 0.683 38.998 38.460 -0.242 0.000 1.094 187 Y HN 0.108 nan 8.280 nan 0.000 0.534 188 Y N 3.424 123.697 120.300 -0.046 0.000 2.507 188 Y HA 0.260 4.818 4.550 0.012 0.000 0.254 188 Y C 0.588 176.480 175.900 -0.013 0.000 1.171 188 Y CA -0.345 57.758 58.100 0.005 0.000 1.238 188 Y CB 0.200 38.653 38.460 -0.011 0.000 1.148 188 Y HN 0.297 nan 8.280 nan 0.000 0.525 189 V N -2.638 117.279 119.914 0.004 0.000 3.234 189 V HA 0.456 4.584 4.120 0.012 0.000 0.317 189 V C 0.095 176.261 176.094 0.119 0.000 1.147 189 V CA -1.629 60.681 62.300 0.016 0.000 1.037 189 V CB 1.952 33.731 31.823 -0.074 0.000 1.148 189 V HN 0.098 nan 8.190 nan 0.000 0.455 190 M N 2.425 122.076 119.600 0.085 0.000 2.188 190 M HA 0.297 4.785 4.480 0.012 0.000 0.354 190 M C -0.380 176.019 176.300 0.165 0.000 1.342 190 M CA -0.124 55.236 55.300 0.099 0.000 1.117 190 M CB 0.390 32.999 32.600 0.014 0.000 1.670 190 M HN 1.004 nan 8.290 nan 0.000 0.466 191 D N 7.250 127.761 120.400 0.185 0.000 2.339 191 D HA 0.210 4.857 4.640 0.012 0.000 0.256 191 D C -2.003 174.329 176.300 0.054 0.000 1.214 191 D CA -1.918 52.168 54.000 0.144 0.000 0.877 191 D CB 1.229 42.004 40.800 -0.042 0.000 1.111 191 D HN 0.336 nan 8.370 nan 0.000 0.478 192 P HA -0.217 nan 4.420 nan 0.000 0.216 192 P C 1.180 178.485 177.300 0.007 0.000 1.153 192 P CA 1.231 64.345 63.100 0.022 0.000 0.858 192 P CB 0.231 31.947 31.700 0.026 0.000 0.789 193 Q N 0.232 120.035 119.800 0.005 0.000 2.002 193 Q HA -0.219 4.128 4.340 0.012 0.000 0.204 193 Q C 2.296 178.289 176.000 -0.013 0.000 0.988 193 Q CA 1.955 57.754 55.803 -0.007 0.000 0.843 193 Q CB -1.100 27.629 28.738 -0.016 0.000 0.908 193 Q HN 0.274 nan 8.270 nan 0.000 0.420 194 Q N -0.653 119.132 119.800 -0.025 0.000 2.181 194 Q HA -0.173 4.175 4.340 0.012 0.000 0.205 194 Q C 1.982 177.972 176.000 -0.017 0.000 0.980 194 Q CA 1.310 57.097 55.803 -0.028 0.000 0.862 194 Q CB -0.288 28.422 28.738 -0.046 0.000 0.905 194 Q HN 0.509 nan 8.270 nan 0.000 0.429 195 A N 0.388 123.198 122.820 -0.016 0.000 1.855 195 A HA -0.137 4.190 4.320 0.012 0.000 0.215 195 A C 2.325 179.903 177.584 -0.010 0.000 1.191 195 A CA 1.394 53.419 52.037 -0.021 0.000 0.613 195 A CB -0.738 18.245 19.000 -0.029 0.000 0.829 195 A HN 0.215 nan 8.150 nan 0.000 0.442 196 V N 0.883 120.798 119.914 0.001 0.000 2.490 196 V HA -0.233 3.894 4.120 0.012 0.000 0.250 196 V C 1.891 178.008 176.094 0.038 0.000 1.061 196 V CA 2.230 64.542 62.300 0.020 0.000 1.064 196 V CB -0.857 30.976 31.823 0.017 0.000 0.670 196 V HN 0.488 nan 8.190 nan 0.000 0.461 197 D N -0.564 119.850 120.400 0.023 0.000 2.224 197 D HA -0.068 4.580 4.640 0.012 0.000 0.205 197 D C 2.081 178.406 176.300 0.042 0.000 0.965 197 D CA 1.028 55.047 54.000 0.032 0.000 0.852 197 D CB -0.115 40.693 40.800 0.012 0.000 0.947 197 D HN 0.372 nan 8.370 nan 0.000 0.494 198 M N 0.235 119.849 119.600 0.024 0.000 2.447 198 M HA -0.001 4.486 4.480 0.012 0.000 0.264 198 M C 0.354 176.667 176.300 0.022 0.000 1.095 198 M CA 0.194 55.502 55.300 0.013 0.000 1.125 198 M CB 0.585 33.177 32.600 -0.013 0.000 1.389 198 M HN -0.262 nan 8.290 nan 0.000 0.459 199 V N 3.260 123.204 119.914 0.050 0.000 2.557 199 V HA -0.098 4.030 4.120 0.012 0.000 0.301 199 V C -0.050 176.121 176.094 0.128 0.000 1.026 199 V CA 0.381 62.725 62.300 0.073 0.000 1.137 199 V CB -0.259 31.648 31.823 0.140 0.000 0.917 199 V HN 0.413 nan 8.190 nan 0.000 0.484 200 D N 3.291 123.639 120.400 -0.087 0.000 2.758 200 D HA 0.249 4.897 4.640 0.012 0.000 0.279 200 D C 0.932 176.610 176.300 -1.036 0.000 1.111 200 D CA -0.515 53.248 54.000 -0.395 0.000 1.109 200 D CB 0.482 41.159 40.800 -0.204 0.000 1.428 200 D HN 0.384 nan 8.370 nan 0.000 0.586 201 E N -0.082 119.275 120.200 -1.405 0.000 2.265 201 E HA -0.171 4.186 4.350 0.012 0.000 0.196 201 E C 0.169 176.550 176.600 -0.365 0.000 0.996 201 E CA 0.869 56.461 56.400 -1.346 0.000 0.832 201 E CB -0.514 28.682 29.700 -0.840 0.000 0.756 201 E HN 0.381 nan 8.360 nan 0.000 0.491 202 N N 0.821 119.378 118.700 -0.239 0.000 2.280 202 N HA 0.021 4.768 4.740 0.012 0.000 0.192 202 N C -0.357 174.863 175.510 -0.483 0.000 1.109 202 N CA 0.241 53.225 53.050 -0.109 0.000 0.855 202 N CB 0.583 39.021 38.487 -0.081 0.000 0.974 202 N HN 0.025 nan 8.380 nan 0.000 0.482 203 T N 2.252 116.587 114.554 -0.365 0.000 2.738 203 T HA 0.150 4.507 4.350 0.012 0.000 0.293 203 T C 1.905 176.367 174.700 -0.396 0.000 0.913 203 T CA -0.301 61.593 62.100 -0.344 0.000 1.103 203 T CB 0.397 69.147 68.868 -0.195 0.000 0.880 203 T HN 0.236 nan 8.240 nan 0.000 0.526 204 I N 0.985 121.245 120.570 -0.517 0.000 2.761 204 I HA 0.198 4.375 4.170 0.012 0.000 0.261 204 I C 0.823 176.766 176.117 -0.291 0.000 1.198 204 I CA -0.103 60.971 61.300 -0.378 0.000 1.482 204 I CB -0.111 37.719 38.000 -0.282 0.000 1.100 204 I HN 0.647 nan 8.210 nan 0.000 0.445 205 C N -1.130 117.943 119.300 -0.378 0.000 3.197 205 C HA 0.628 5.095 4.460 0.012 0.000 0.343 205 C C -0.764 174.012 174.990 -0.357 0.000 1.291 205 C CA -0.990 57.717 59.018 -0.519 0.000 1.191 205 C CB 1.002 27.983 27.740 -1.265 0.000 1.444 205 C HN 0.016 nan 8.230 nan 0.000 0.468 206 V N 2.152 121.890 119.914 -0.294 0.000 2.370 206 V HA 0.715 4.842 4.120 0.012 0.000 0.283 206 V C 0.761 176.699 176.094 -0.260 0.000 1.023 206 V CA 0.423 62.583 62.300 -0.233 0.000 0.857 206 V CB 1.243 32.984 31.823 -0.138 0.000 0.985 206 V HN 1.440 nan 8.190 nan 0.000 0.443 207 A N 4.564 127.164 122.820 -0.366 0.000 2.260 207 A HA 0.837 5.165 4.320 0.012 0.000 0.312 207 A C 0.327 177.717 177.584 -0.323 0.000 1.321 207 A CA -0.199 51.583 52.037 -0.425 0.000 0.928 207 A CB 0.533 18.901 19.000 -1.053 0.000 1.158 207 A HN 1.163 nan 8.150 nan 0.000 0.542 208 A N 3.002 125.708 122.820 -0.190 0.000 2.303 208 A HA 0.740 5.067 4.320 0.012 0.000 0.317 208 A C -0.290 177.214 177.584 -0.134 0.000 1.149 208 A CA -0.482 51.467 52.037 -0.147 0.000 0.822 208 A CB 0.365 19.302 19.000 -0.106 0.000 1.131 208 A HN 0.762 nan 8.150 nan 0.000 0.493 209 I N 2.183 122.685 120.570 -0.114 0.000 2.330 209 I HA 0.189 4.366 4.170 0.012 0.000 0.289 209 I C -0.573 175.465 176.117 -0.131 0.000 1.001 209 I CA -0.428 60.816 61.300 -0.095 0.000 1.193 209 I CB 1.569 39.539 38.000 -0.050 0.000 1.345 209 I HN 0.523 nan 8.210 nan 0.000 0.461 210 L N 7.371 128.442 121.223 -0.252 0.000 2.422 210 L HA 0.545 4.892 4.340 0.012 0.000 0.256 210 L C 0.438 177.120 176.870 -0.313 0.000 1.202 210 L CA 0.277 54.826 54.840 -0.485 0.000 1.119 210 L CB -0.137 41.361 42.059 -0.935 0.000 1.383 210 L HN 0.820 nan 8.230 nan 0.000 0.411 211 G N 1.578 110.439 108.800 0.101 0.000 2.499 211 G HA2 -0.140 3.827 3.960 0.012 0.000 0.474 211 G HA3 -0.140 3.827 3.960 0.012 0.000 0.474 211 G C -0.276 174.665 174.900 0.069 0.000 1.044 211 G CA -0.176 45.066 45.100 0.236 0.000 1.316 211 G HN 0.632 nan 8.290 nan 0.000 0.617 212 S N 0.669 116.412 115.700 0.071 0.000 2.549 212 S HA 0.462 4.939 4.470 0.012 0.000 0.283 212 S C 2.066 176.688 174.600 0.037 0.000 1.320 212 S CA 1.055 59.276 58.200 0.035 0.000 1.058 212 S CB 0.756 63.987 63.200 0.051 0.000 0.882 212 S HN 1.785 nan 8.310 nan 0.000 0.498 213 T N 3.783 118.323 114.554 -0.024 0.000 3.098 213 T HA 0.040 4.397 4.350 0.012 0.000 0.266 213 T C 1.449 176.235 174.700 0.143 0.000 1.145 213 T CA 0.760 62.854 62.100 -0.011 0.000 1.092 213 T CB -0.380 68.413 68.868 -0.125 0.000 0.908 213 T HN 0.608 nan 8.240 nan 0.000 0.526 214 L N 0.938 122.233 121.223 0.119 0.000 2.253 214 L HA 0.286 4.634 4.340 0.012 0.000 0.205 214 L C 2.003 178.953 176.870 0.133 0.000 1.078 214 L CA 0.855 55.799 54.840 0.174 0.000 0.805 214 L CB -0.211 41.934 42.059 0.143 0.000 0.963 214 L HN 0.457 nan 8.230 nan 0.000 0.459 215 N N -1.228 117.518 118.700 0.077 0.000 2.110 215 N HA 0.039 4.787 4.740 0.012 0.000 0.230 215 N C 0.921 176.449 175.510 0.029 0.000 1.353 215 N CA 0.545 53.605 53.050 0.015 0.000 0.807 215 N CB 0.418 38.863 38.487 -0.071 0.000 1.244 215 N HN 0.137 nan 8.380 nan 0.000 0.504 216 G N 0.896 109.748 108.800 0.087 0.000 2.187 216 G HA2 -0.361 3.606 3.960 0.012 0.000 0.261 216 G HA3 -0.361 3.606 3.960 0.012 0.000 0.261 216 G C -0.256 174.618 174.900 -0.043 0.000 1.000 216 G CA 0.766 45.913 45.100 0.078 0.000 0.718 216 G HN 0.706 nan 8.290 nan 0.000 0.519 217 E N -0.217 119.965 120.200 -0.030 0.000 2.331 217 E HA 0.489 4.846 4.350 0.012 0.000 0.272 217 E C -0.091 176.548 176.600 0.063 0.000 1.036 217 E CA -0.960 55.386 56.400 -0.090 0.000 0.864 217 E CB 0.206 29.867 29.700 -0.065 0.000 1.035 217 E HN 0.017 nan 8.360 nan 0.000 0.408 218 F N 2.824 122.688 119.950 -0.143 0.000 2.427 218 F HA 0.182 4.716 4.527 0.012 0.000 0.352 218 F C 0.852 176.566 175.800 -0.144 0.000 1.100 218 F CA -0.709 57.186 58.000 -0.175 0.000 1.191 218 F CB 0.529 39.389 39.000 -0.233 0.000 1.128 218 F HN 0.431 nan 8.300 nan 0.000 0.533 219 E N 1.076 121.309 120.200 0.054 0.000 2.373 219 E HA -0.019 4.338 4.350 0.012 0.000 0.263 219 E C -0.462 176.138 176.600 -0.000 0.000 1.073 219 E CA -0.398 56.002 56.400 -0.000 0.000 0.894 219 E CB 0.677 30.361 29.700 -0.026 0.000 1.008 219 E HN 0.326 nan 8.360 nan 0.000 0.420 220 D N 2.499 122.901 120.400 0.002 0.000 2.545 220 D HA 0.009 4.657 4.640 0.012 0.000 0.227 220 D C 0.666 176.970 176.300 0.007 0.000 1.150 220 D CA 0.021 54.028 54.000 0.010 0.000 1.046 220 D CB 0.133 40.942 40.800 0.016 0.000 1.098 220 D HN 0.153 nan 8.370 nan 0.000 0.502 221 V N 3.105 123.022 119.914 0.005 0.000 2.407 221 V HA -0.235 3.893 4.120 0.012 0.000 0.248 221 V C 2.530 178.627 176.094 0.005 0.000 1.055 221 V CA 1.538 63.839 62.300 0.000 0.000 1.049 221 V CB -0.418 31.415 31.823 0.016 0.000 0.662 221 V HN 0.451 nan 8.190 nan 0.000 0.455 222 K N -0.105 120.305 120.400 0.018 0.000 2.057 222 K HA -0.214 4.113 4.320 0.012 0.000 0.207 222 K C 2.159 178.764 176.600 0.008 0.000 1.049 222 K CA 1.631 57.925 56.287 0.011 0.000 0.931 222 K CB -0.229 32.282 32.500 0.018 0.000 0.714 222 K HN 0.345 nan 8.250 nan 0.000 0.440 223 L N 1.363 122.593 121.223 0.011 0.000 2.017 223 L HA -0.123 4.225 4.340 0.012 0.000 0.208 223 L C 2.111 178.986 176.870 0.007 0.000 1.073 223 L CA 1.352 56.199 54.840 0.011 0.000 0.745 223 L CB -0.716 41.353 42.059 0.017 0.000 0.894 223 L HN 0.276 nan 8.230 nan 0.000 0.432 224 L N 0.117 121.343 121.223 0.004 0.000 2.042 224 L HA -0.271 4.076 4.340 0.012 0.000 0.210 224 L C 2.271 179.141 176.870 -0.000 0.000 1.076 224 L CA 2.349 57.188 54.840 -0.002 0.000 0.749 224 L CB -0.995 41.056 42.059 -0.013 0.000 0.893 224 L HN 0.613 nan 8.230 nan 0.000 0.432 225 N N -1.107 117.593 118.700 -0.000 0.000 2.120 225 N HA -0.216 4.532 4.740 0.012 0.000 0.188 225 N C 1.542 177.057 175.510 0.007 0.000 1.024 225 N CA 1.631 54.684 53.050 0.004 0.000 0.852 225 N CB -0.118 38.369 38.487 0.000 0.000 1.003 225 N HN 0.374 nan 8.380 nan 0.000 0.424 226 D N 0.219 120.623 120.400 0.005 0.000 2.097 226 D HA -0.121 4.526 4.640 0.012 0.000 0.195 226 D C 1.975 178.277 176.300 0.004 0.000 0.989 226 D CA 0.888 54.890 54.000 0.005 0.000 0.827 226 D CB -0.347 40.455 40.800 0.004 0.000 0.966 226 D HN 0.344 nan 8.370 nan 0.000 0.456 227 L N 0.222 121.448 121.223 0.004 0.000 2.093 227 L HA -0.087 4.260 4.340 0.012 0.000 0.208 227 L C 2.534 179.408 176.870 0.006 0.000 1.085 227 L CA 0.528 55.370 54.840 0.003 0.000 0.755 227 L CB -0.219 41.842 42.059 0.004 0.000 0.904 227 L HN 0.084 nan 8.230 nan 0.000 0.435 228 L N -0.666 120.564 121.223 0.012 0.000 2.156 228 L HA -0.136 4.211 4.340 0.012 0.000 0.208 228 L C 2.424 179.307 176.870 0.022 0.000 1.095 228 L CA 0.665 55.518 54.840 0.022 0.000 0.770 228 L CB 0.082 42.157 42.059 0.026 0.000 0.914 228 L HN 0.067 nan 8.230 nan 0.000 0.439 229 V N -0.264 119.660 119.914 0.016 0.000 2.358 229 V HA -0.227 3.900 4.120 0.012 0.000 0.246 229 V C 2.490 178.584 176.094 -0.001 0.000 1.047 229 V CA 1.451 63.759 62.300 0.013 0.000 1.035 229 V CB -0.403 31.427 31.823 0.012 0.000 0.658 229 V HN 0.426 nan 8.190 nan 0.000 0.452 230 E N 0.375 120.570 120.200 -0.007 0.000 2.031 230 E HA -0.250 4.107 4.350 0.012 0.000 0.193 230 E C 2.197 178.775 176.600 -0.037 0.000 0.994 230 E CA 1.493 57.881 56.400 -0.019 0.000 0.800 230 E CB -0.331 29.359 29.700 -0.016 0.000 0.752 230 E HN 0.594 nan 8.360 nan 0.000 0.447 231 K N 0.731 121.112 120.400 -0.032 0.000 2.147 231 K HA -0.127 4.200 4.320 0.012 0.000 0.205 231 K C 1.710 178.250 176.600 -0.100 0.000 1.049 231 K CA 1.168 57.418 56.287 -0.062 0.000 0.936 231 K CB 0.074 32.561 32.500 -0.021 0.000 0.722 231 K HN -0.063 nan 8.250 nan 0.000 0.446 232 N N 1.054 119.727 118.700 -0.046 0.000 2.244 232 N HA -0.109 4.638 4.740 0.012 0.000 0.183 232 N C 1.175 176.638 175.510 -0.078 0.000 1.016 232 N CA 1.110 54.136 53.050 -0.041 0.000 0.866 232 N CB 0.029 38.529 38.487 0.022 0.000 0.980 232 N HN 0.261 nan 8.380 nan 0.000 0.430 233 K N 0.376 120.737 120.400 -0.066 0.000 2.147 233 K HA -0.102 4.225 4.320 0.012 0.000 0.205 233 K C 1.568 178.105 176.600 -0.104 0.000 1.049 233 K CA 0.997 57.245 56.287 -0.066 0.000 0.936 233 K CB 0.091 32.563 32.500 -0.046 0.000 0.722 233 K HN 0.081 nan 8.250 nan 0.000 0.446 234 E N -0.232 119.882 120.200 -0.143 0.000 2.014 234 E HA -0.098 4.259 4.350 0.012 0.000 0.190 234 E C 2.151 178.570 176.600 -0.301 0.000 0.980 234 E CA 1.821 58.110 56.400 -0.185 0.000 0.807 234 E CB -0.471 29.123 29.700 -0.177 0.000 0.770 234 E HN 0.369 nan 8.360 nan 0.000 0.451 235 T N -2.823 111.431 114.554 -0.500 0.000 2.867 235 T HA -0.000 4.357 4.350 0.012 0.000 0.268 235 T C 1.778 176.018 174.700 -0.767 0.000 1.057 235 T CA 1.461 62.968 62.100 -0.987 0.000 1.136 235 T CB -0.346 67.338 68.868 -1.974 0.000 0.874 235 T HN 0.353 nan 8.240 nan 0.000 0.466 236 G N 0.226 108.797 108.800 -0.381 0.000 2.234 236 G HA2 -0.208 3.759 3.960 0.012 0.000 0.260 236 G HA3 -0.208 3.759 3.960 0.012 0.000 0.260 236 G C 0.090 175.015 174.900 0.041 0.000 0.987 236 G CA 0.082 45.101 45.100 -0.136 0.000 0.625 236 G HN 0.564 nan 8.290 nan 0.000 0.532 237 W N 0.898 122.229 121.300 0.052 0.000 2.158 237 W HA 0.567 5.234 4.660 0.012 0.000 0.339 237 W C 0.256 176.819 176.519 0.073 0.000 1.294 237 W CA -0.364 57.026 57.345 0.075 0.000 1.231 237 W CB 0.107 29.622 29.460 0.090 0.000 1.143 237 W HN 0.067 nan 8.180 nan 0.000 0.571 238 D N 1.237 121.828 120.400 0.319 0.000 3.133 238 D HA 0.086 4.734 4.640 0.012 0.000 0.288 238 D C -0.299 176.132 176.300 0.218 0.000 1.346 238 D CA -0.039 54.092 54.000 0.217 0.000 0.934 238 D CB -0.082 40.823 40.800 0.175 0.000 1.042 238 D HN 0.008 nan 8.370 nan 0.000 0.506 239 T N 2.643 117.333 114.554 0.227 0.000 2.829 239 T HA 0.211 4.569 4.350 0.012 0.000 0.293 239 T C -2.263 172.500 174.700 0.104 0.000 0.970 239 T CA -0.799 61.397 62.100 0.160 0.000 1.168 239 T CB 1.071 70.035 68.868 0.160 0.000 0.911 239 T HN 0.247 nan 8.240 nan 0.000 0.535 240 P HA 0.567 nan 4.420 nan 0.000 0.283 240 P C -0.557 176.724 177.300 -0.032 0.000 1.271 240 P CA -0.844 62.310 63.100 0.090 0.000 0.841 240 P CB 0.988 32.834 31.700 0.243 0.000 1.122 241 I N 0.701 121.300 120.570 0.049 0.000 2.441 241 I HA 0.355 4.532 4.170 0.012 0.000 0.295 241 I C -0.054 176.138 176.117 0.125 0.000 0.994 241 I CA -0.658 60.644 61.300 0.003 0.000 1.144 241 I CB 1.387 39.388 38.000 0.002 0.000 1.314 241 I HN 0.446 nan 8.210 nan 0.000 0.445 242 H N 5.099 124.151 119.070 -0.029 0.000 2.489 242 H HA 0.566 5.129 4.556 0.012 0.000 0.343 242 H C -1.427 173.912 175.328 0.018 0.000 1.086 242 H CA -0.507 55.621 56.048 0.134 0.000 1.198 242 H CB 1.617 31.579 29.762 0.333 0.000 1.490 242 H HN 0.237 nan 8.280 nan 0.000 0.504 243 V N 5.234 124.836 119.914 -0.520 0.000 2.333 243 V HA 0.079 4.206 4.120 0.012 0.000 0.274 243 V C -0.020 175.842 176.094 -0.386 0.000 1.028 243 V CA -0.780 61.307 62.300 -0.354 0.000 0.851 243 V CB 1.007 32.681 31.823 -0.247 0.000 1.000 243 V HN 0.821 nan 8.190 nan 0.000 0.456 244 D N 5.060 125.416 120.400 -0.074 0.000 2.435 244 D HA 0.285 4.932 4.640 0.012 0.000 0.230 244 D C 0.603 176.849 176.300 -0.091 0.000 1.215 244 D CA -0.140 53.913 54.000 0.089 0.000 0.947 244 D CB 1.224 42.227 40.800 0.338 0.000 1.048 244 D HN 0.633 nan 8.370 nan 0.000 0.512 245 A N 3.468 126.182 122.820 -0.176 0.000 2.833 245 A HA 0.511 4.838 4.320 0.012 0.000 0.293 245 A C 1.785 179.299 177.584 -0.116 0.000 1.338 245 A CA 0.269 52.129 52.037 -0.295 0.000 0.959 245 A CB -0.136 18.547 19.000 -0.528 0.000 1.094 245 A HN 0.554 nan 8.150 nan 0.000 0.569 246 A N 0.712 123.516 122.820 -0.027 0.000 1.896 246 A HA -0.242 4.086 4.320 0.012 0.000 0.220 246 A C 2.456 180.114 177.584 0.122 0.000 1.206 246 A CA 2.873 54.937 52.037 0.045 0.000 0.647 246 A CB -0.637 18.372 19.000 0.015 0.000 0.828 246 A HN 1.121 nan 8.150 nan 0.000 0.455 247 S N -2.165 113.591 115.700 0.093 0.000 2.517 247 S HA 0.263 4.741 4.470 0.012 0.000 0.228 247 S C 2.101 176.817 174.600 0.193 0.000 1.060 247 S CA 0.865 59.233 58.200 0.280 0.000 0.937 247 S CB -1.095 62.292 63.200 0.312 0.000 0.840 247 S HN 0.795 nan 8.310 nan 0.000 0.546 248 G N 1.523 110.308 108.800 -0.025 0.000 2.501 248 G HA2 0.073 4.041 3.960 0.012 0.000 0.220 248 G HA3 0.073 4.041 3.960 0.012 0.000 0.220 248 G C 1.324 175.983 174.900 -0.403 0.000 1.114 248 G CA 0.702 45.654 45.100 -0.247 0.000 0.757 248 G HN 0.657 nan 8.290 nan 0.000 0.559 249 G N 0.116 108.737 108.800 -0.298 0.000 2.432 249 G HA2 -0.112 3.855 3.960 0.012 0.000 0.219 249 G HA3 -0.112 3.855 3.960 0.012 0.000 0.219 249 G C 1.045 175.921 174.900 -0.040 0.000 1.135 249 G CA 0.286 45.239 45.100 -0.246 0.000 0.767 249 G HN 0.371 nan 8.290 nan 0.000 0.550 250 F N -0.152 119.931 119.950 0.221 0.000 2.639 250 F HA 0.493 5.027 4.527 0.012 0.000 0.300 250 F C 1.585 177.640 175.800 0.424 0.000 1.109 250 F CA -0.414 57.801 58.000 0.358 0.000 1.335 250 F CB 0.418 39.678 39.000 0.434 0.000 1.014 250 F HN 0.057 nan 8.300 nan 0.000 0.537 251 I N -1.820 118.943 120.570 0.323 0.000 3.570 251 I HA 0.100 4.277 4.170 0.012 0.000 0.270 251 I C 2.388 178.632 176.117 0.212 0.000 1.162 251 I CA 0.644 62.110 61.300 0.277 0.000 1.413 251 I CB -0.572 37.515 38.000 0.144 0.000 1.437 251 I HN -0.045 nan 8.210 nan 0.000 0.457 252 A N 2.240 125.122 122.820 0.104 0.000 1.892 252 A HA -0.118 4.209 4.320 0.012 0.000 0.218 252 A C -0.289 177.374 177.584 0.131 0.000 1.188 252 A CA 2.046 54.184 52.037 0.168 0.000 0.631 252 A CB -2.054 16.795 19.000 -0.252 0.000 0.822 252 A HN 0.246 nan 8.150 nan 0.000 0.447 253 P HA -0.101 nan 4.420 nan 0.000 0.221 253 P C 0.548 177.632 177.300 -0.361 0.000 1.145 253 P CA 1.076 64.017 63.100 -0.265 0.000 0.795 253 P CB -0.087 31.215 31.700 -0.663 0.000 0.775 254 F N -2.806 117.237 119.950 0.155 0.000 2.592 254 F HA 0.213 4.748 4.527 0.012 0.000 0.280 254 F C 2.064 177.857 175.800 -0.011 0.000 1.083 254 F CA 0.327 58.398 58.000 0.118 0.000 1.365 254 F CB -0.861 38.231 39.000 0.155 0.000 1.100 254 F HN -0.260 nan 8.300 nan 0.000 0.633 255 L N -1.396 119.816 121.223 -0.018 0.000 2.253 255 L HA 0.034 4.381 4.340 0.012 0.000 0.205 255 L C -0.245 176.258 176.870 -0.612 0.000 1.078 255 L CA 0.864 55.425 54.840 -0.464 0.000 0.805 255 L CB -0.054 41.455 42.059 -0.917 0.000 0.963 255 L HN 0.077 nan 8.230 nan 0.000 0.459 256 Y N -1.575 118.814 120.300 0.148 0.000 2.584 256 Y HA 0.319 4.876 4.550 0.012 0.000 0.358 256 Y C -1.985 173.997 175.900 0.138 0.000 1.028 256 Y CA -2.397 55.783 58.100 0.133 0.000 1.148 256 Y CB -0.058 38.494 38.460 0.153 0.000 1.126 256 Y HN -0.077 nan 8.280 nan 0.000 0.658 257 P HA -0.123 nan 4.420 nan 0.000 0.217 257 P C 0.796 178.177 177.300 0.136 0.000 1.151 257 P CA 1.496 64.679 63.100 0.139 0.000 0.828 257 P CB 0.485 32.236 31.700 0.085 0.000 0.788 258 E N -0.134 120.150 120.200 0.141 0.000 2.110 258 E HA -0.095 4.262 4.350 0.012 0.000 0.193 258 E C 0.778 177.450 176.600 0.120 0.000 0.988 258 E CA 0.204 56.668 56.400 0.108 0.000 0.804 258 E CB -1.308 28.452 29.700 0.101 0.000 0.745 258 E HN 0.135 nan 8.360 nan 0.000 0.458 259 L N 2.589 123.925 121.223 0.189 0.000 2.628 259 L HA -0.051 4.296 4.340 0.012 0.000 0.274 259 L C -0.330 176.664 176.870 0.207 0.000 1.209 259 L CA 0.736 55.701 54.840 0.207 0.000 0.930 259 L CB 0.165 42.390 42.059 0.277 0.000 1.183 259 L HN 0.014 nan 8.230 nan 0.000 0.492 260 E N 7.138 127.403 120.200 0.109 0.000 2.044 260 E HA 0.105 4.462 4.350 0.012 0.000 0.282 260 E C -0.173 176.454 176.600 0.044 0.000 1.031 260 E CA 0.104 56.506 56.400 0.004 0.000 0.824 260 E CB 0.391 30.080 29.700 -0.019 0.000 1.076 260 E HN 0.834 nan 8.360 nan 0.000 0.395 261 W N 3.382 124.593 121.300 -0.149 0.000 2.120 261 W HA 0.078 4.746 4.660 0.013 0.000 0.227 261 W C -0.174 176.161 176.519 -0.307 0.000 0.910 261 W CA -0.169 57.042 57.345 -0.223 0.000 1.111 261 W CB -0.053 29.234 29.460 -0.288 0.000 0.887 261 W HN 0.335 nan 8.180 nan 0.000 0.598 262 D N 0.985 120.655 120.400 -1.216 0.000 2.440 262 D HA 0.180 4.827 4.640 0.012 0.000 0.282 262 D C 0.855 176.721 176.300 -0.723 0.000 1.189 262 D CA -0.388 52.752 54.000 -1.434 0.000 1.105 262 D CB -0.549 39.133 40.800 -1.863 0.000 1.173 262 D HN -0.238 nan 8.370 nan 0.000 0.577 263 F N -0.382 119.311 119.950 -0.428 0.000 2.641 263 F HA 0.157 4.691 4.527 0.012 0.000 0.298 263 F C 2.315 178.008 175.800 -0.178 0.000 1.146 263 F CA 0.291 58.156 58.000 -0.224 0.000 1.464 263 F CB -0.538 38.370 39.000 -0.153 0.000 1.101 263 F HN 0.052 nan 8.300 nan 0.000 0.585 264 R N -0.035 120.409 120.500 -0.093 0.000 2.152 264 R HA -0.045 4.302 4.340 0.012 0.000 0.232 264 R C 0.432 176.703 176.300 -0.048 0.000 1.117 264 R CA 0.565 56.622 56.100 -0.072 0.000 0.981 264 R CB -0.279 29.949 30.300 -0.121 0.000 0.870 264 R HN 0.214 nan 8.270 nan 0.000 0.451 265 L N 1.762 122.942 121.223 -0.072 0.000 2.313 265 L HA 0.162 4.509 4.340 0.012 0.000 0.282 265 L C -1.657 175.225 176.870 0.019 0.000 1.092 265 L CA -1.875 52.945 54.840 -0.033 0.000 0.831 265 L CB 1.005 43.031 42.059 -0.055 0.000 1.159 265 L HN -0.171 nan 8.230 nan 0.000 0.442 266 P HA -0.154 nan 4.420 nan 0.000 0.216 266 P C 1.558 178.905 177.300 0.079 0.000 1.150 266 P CA 1.224 64.355 63.100 0.051 0.000 0.837 266 P CB 0.294 32.015 31.700 0.035 0.000 0.786 267 L N -1.766 119.498 121.223 0.068 0.000 2.492 267 L HA 0.022 4.369 4.340 0.012 0.000 0.223 267 L C 0.416 177.360 176.870 0.123 0.000 1.132 267 L CA 0.100 54.994 54.840 0.089 0.000 0.850 267 L CB -0.224 41.872 42.059 0.062 0.000 0.966 267 L HN -0.213 nan 8.230 nan 0.000 0.454 268 V N 1.716 121.696 119.914 0.110 0.000 2.421 268 V HA -0.012 4.115 4.120 0.012 0.000 0.271 268 V C 1.068 177.354 176.094 0.320 0.000 1.031 268 V CA 0.274 62.649 62.300 0.125 0.000 1.032 268 V CB 0.715 32.504 31.823 -0.056 0.000 1.009 268 V HN 0.246 nan 8.190 nan 0.000 0.477 269 K N 2.583 123.218 120.400 0.391 0.000 2.348 269 K HA 0.198 4.525 4.320 0.012 0.000 0.194 269 K C 0.642 177.550 176.600 0.514 0.000 1.052 269 K CA 0.470 57.034 56.287 0.461 0.000 1.004 269 K CB 0.726 33.530 32.500 0.508 0.000 0.873 269 K HN 0.778 nan 8.250 nan 0.000 0.523 270 S N -0.161 115.818 115.700 0.465 0.000 2.547 270 S HA 0.667 5.145 4.470 0.012 0.000 0.270 270 S C -0.679 173.879 174.600 -0.071 0.000 1.150 270 S CA -0.997 57.346 58.200 0.238 0.000 0.850 270 S CB 1.659 64.838 63.200 -0.034 0.000 1.118 270 S HN 0.021 nan 8.310 nan 0.000 0.461 271 I N 2.469 122.925 120.570 -0.190 0.000 2.619 271 I HA 0.463 4.641 4.170 0.012 0.000 0.292 271 I C -0.794 175.239 176.117 -0.141 0.000 1.100 271 I CA -0.781 60.277 61.300 -0.404 0.000 1.043 271 I CB 2.229 39.898 38.000 -0.551 0.000 1.239 271 I HN 0.883 nan 8.210 nan 0.000 0.420 272 N N 5.595 124.234 118.700 -0.102 0.000 2.370 272 N HA 0.711 5.458 4.740 0.012 0.000 0.303 272 N C -1.708 173.840 175.510 0.064 0.000 1.103 272 N CA -0.560 52.525 53.050 0.060 0.000 0.848 272 N CB 3.305 41.869 38.487 0.130 0.000 1.235 272 N HN 0.417 nan 8.380 nan 0.000 0.496 273 V N 0.324 120.336 119.914 0.163 0.000 2.932 273 V HA 0.394 4.521 4.120 0.012 0.000 0.307 273 V C -1.078 175.174 176.094 0.264 0.000 1.147 273 V CA -0.526 61.897 62.300 0.205 0.000 0.951 273 V CB 2.320 34.291 31.823 0.247 0.000 1.031 273 V HN 0.852 nan 8.190 nan 0.000 0.426 274 S N 4.208 120.047 115.700 0.232 0.000 2.422 274 S HA 0.407 4.884 4.470 0.012 0.000 0.298 274 S C 1.117 175.855 174.600 0.231 0.000 1.118 274 S CA 0.210 58.444 58.200 0.057 0.000 1.083 274 S CB 1.389 64.561 63.200 -0.047 0.000 0.971 274 S HN 1.180 nan 8.310 nan 0.000 0.478 275 G N 2.369 111.289 108.800 0.200 0.000 2.422 275 G HA2 -0.113 3.854 3.960 0.012 0.000 0.218 275 G HA3 -0.113 3.854 3.960 0.012 0.000 0.218 275 G C 0.606 175.559 174.900 0.088 0.000 1.140 275 G CA 0.455 45.720 45.100 0.276 0.000 0.775 275 G HN 0.855 nan 8.290 nan 0.000 0.545 279 G N 0.338 109.091 108.800 -0.077 0.000 2.744 279 G HA2 0.109 4.077 3.960 0.012 0.000 0.211 279 G HA3 0.109 4.077 3.960 0.012 0.000 0.211 279 G C 0.841 175.613 174.900 -0.213 0.000 1.143 279 G CA 0.671 45.308 45.100 -0.773 0.000 0.788 279 G HN 0.368 nan 8.290 nan 0.000 0.534 280 L N -1.239 119.938 121.223 -0.076 0.000 3.730 280 L HA -0.153 4.194 4.340 0.012 0.000 0.410 280 L C -0.570 176.233 176.870 -0.112 0.000 1.234 280 L CA -0.403 54.382 54.840 -0.091 0.000 0.911 280 L CB -2.323 39.631 42.059 -0.175 0.000 1.942 280 L HN 0.034 nan 8.230 nan 0.000 0.860 281 V N -1.433 118.443 119.914 -0.062 0.000 2.864 281 V HA 0.503 4.630 4.120 0.012 0.000 0.314 281 V C 0.293 176.371 176.094 -0.027 0.000 1.073 281 V CA -0.880 61.375 62.300 -0.075 0.000 0.956 281 V CB 1.912 33.768 31.823 0.054 0.000 1.023 281 V HN 0.034 nan 8.190 nan 0.000 0.435 282 Y N 1.255 121.579 120.300 0.039 0.000 2.511 282 Y HA 0.354 4.911 4.550 0.012 0.000 0.347 282 Y C 1.133 177.069 175.900 0.060 0.000 1.257 282 Y CA 0.422 58.537 58.100 0.024 0.000 1.469 282 Y CB 0.160 38.608 38.460 -0.020 0.000 1.353 282 Y HN 0.789 nan 8.280 nan 0.000 0.617 283 A N 1.107 124.032 122.820 0.175 0.000 2.565 283 A HA 0.392 4.719 4.320 0.012 0.000 0.237 283 A C 1.177 178.809 177.584 0.081 0.000 1.053 283 A CA 0.831 52.850 52.037 -0.030 0.000 0.755 283 A CB -1.001 17.897 19.000 -0.170 0.000 0.980 283 A HN 1.520 nan 8.150 nan 0.000 0.506 284 G N 0.311 109.251 108.800 0.234 0.000 2.161 284 G HA2 0.195 4.163 3.960 0.012 0.000 0.140 284 G HA3 0.195 4.163 3.960 0.012 0.000 0.140 284 G C -0.436 174.527 174.900 0.104 0.000 1.040 284 G CA 0.114 45.304 45.100 0.150 0.000 0.735 284 G HN 1.667 nan 8.290 nan 0.000 0.496 285 I N 0.629 121.300 120.570 0.168 0.000 2.610 285 I HA 0.776 4.954 4.170 0.012 0.000 0.289 285 I C -0.042 175.821 176.117 -0.423 0.000 1.163 285 I CA 0.024 61.211 61.300 -0.189 0.000 1.044 285 I CB 1.703 39.632 38.000 -0.117 0.000 1.251 285 I HN 0.549 nan 8.210 nan 0.000 0.424 286 G N 4.710 113.162 108.800 -0.579 0.000 2.733 286 G HA2 0.739 4.707 3.960 0.012 0.000 0.288 286 G HA3 0.739 4.707 3.960 0.012 0.000 0.288 286 G C -2.364 172.100 174.900 -0.726 0.000 1.373 286 G CA -0.626 44.186 45.100 -0.480 0.000 0.895 286 G HN 0.517 nan 8.290 nan 0.000 0.479 287 W N -1.073 120.232 121.300 0.008 0.000 3.127 287 W HA 0.595 5.263 4.660 0.012 0.000 0.330 287 W C -0.951 175.562 176.519 -0.010 0.000 1.187 287 W CA -0.893 56.466 57.345 0.024 0.000 1.198 287 W CB 2.454 31.956 29.460 0.070 0.000 1.408 287 W HN 0.421 nan 8.180 nan 0.000 0.529 288 V N 5.270 125.298 119.914 0.191 0.000 2.623 288 V HA 0.625 4.753 4.120 0.012 0.000 0.304 288 V C -1.271 174.737 176.094 -0.142 0.000 1.054 288 V CA -0.835 61.422 62.300 -0.071 0.000 0.882 288 V CB 1.070 32.705 31.823 -0.313 0.000 1.002 288 V HN 0.426 nan 8.190 nan 0.000 0.424 289 I N 6.111 126.614 120.570 -0.111 0.000 2.493 289 I HA 0.523 4.700 4.170 0.012 0.000 0.298 289 I C -0.490 175.603 176.117 -0.040 0.000 0.998 289 I CA -0.624 60.716 61.300 0.066 0.000 1.137 289 I CB 1.883 40.095 38.000 0.353 0.000 1.310 289 I HN 0.594 nan 8.210 nan 0.000 0.445 290 W N 4.600 126.008 121.300 0.181 0.000 2.606 290 W HA 0.405 5.072 4.660 0.012 0.000 0.332 290 W C 1.364 177.749 176.519 -0.222 0.000 1.052 290 W CA -0.621 56.767 57.345 0.070 0.000 1.223 290 W CB 2.018 31.485 29.460 0.012 0.000 1.383 290 W HN 0.676 nan 8.180 nan 0.000 0.524 291 R N 1.348 121.764 120.500 -0.141 0.000 2.080 291 R HA -0.143 4.205 4.340 0.012 0.000 0.236 291 R C 0.234 176.353 176.300 -0.303 0.000 1.137 291 R CA 1.497 57.228 56.100 -0.616 0.000 0.943 291 R CB 0.067 30.218 30.300 -0.248 0.000 0.846 291 R HN 0.421 nan 8.270 nan 0.000 0.431 292 N N -1.483 117.165 118.700 -0.086 0.000 2.647 292 N HA 0.058 4.806 4.740 0.012 0.000 0.266 292 N C -0.616 174.872 175.510 -0.036 0.000 1.373 292 N CA -0.527 52.484 53.050 -0.066 0.000 0.807 292 N CB 1.608 40.061 38.487 -0.056 0.000 1.513 292 N HN -0.087 nan 8.380 nan 0.000 0.505 293 K N 0.937 121.304 120.400 -0.056 0.000 2.152 293 K HA -0.158 4.170 4.320 0.012 0.000 0.206 293 K C 1.376 177.904 176.600 -0.119 0.000 1.048 293 K CA 1.616 57.851 56.287 -0.086 0.000 0.933 293 K CB 0.129 32.588 32.500 -0.069 0.000 0.721 293 K HN 0.602 nan 8.250 nan 0.000 0.447 294 E N -0.087 120.066 120.200 -0.078 0.000 2.268 294 E HA -0.187 4.170 4.350 0.012 0.000 0.195 294 E C 0.763 177.312 176.600 -0.085 0.000 0.995 294 E CA 1.212 57.570 56.400 -0.071 0.000 0.836 294 E CB -0.010 29.672 29.700 -0.030 0.000 0.763 294 E HN 0.301 nan 8.360 nan 0.000 0.491 295 D N 0.595 120.945 120.400 -0.084 0.000 2.355 295 D HA 0.044 4.691 4.640 0.012 0.000 0.218 295 D C 0.275 176.368 176.300 -0.345 0.000 1.004 295 D CA 0.428 54.385 54.000 -0.071 0.000 0.880 295 D CB 0.459 41.335 40.800 0.127 0.000 0.911 295 D HN 0.224 nan 8.370 nan 0.000 0.528 296 L N 2.284 123.197 121.223 -0.515 0.000 2.337 296 L HA 0.296 4.643 4.340 0.012 0.000 0.269 296 L C -2.564 174.001 176.870 -0.510 0.000 1.018 296 L CA -1.767 52.591 54.840 -0.804 0.000 0.876 296 L CB 1.763 43.137 42.059 -1.142 0.000 1.236 296 L HN -0.369 nan 8.230 nan 0.000 0.436 297 P HA -0.072 nan 4.420 nan 0.000 0.260 297 P C 0.389 177.507 177.300 -0.304 0.000 1.172 297 P CA 0.306 63.247 63.100 -0.264 0.000 0.760 297 P CB 0.763 32.350 31.700 -0.188 0.000 0.773 298 E N 4.160 124.229 120.200 -0.217 0.000 2.204 298 E HA -0.232 4.125 4.350 0.012 0.000 0.195 298 E C 1.404 177.893 176.600 -0.185 0.000 0.990 298 E CA 1.349 57.636 56.400 -0.188 0.000 0.821 298 E CB -0.265 29.364 29.700 -0.117 0.000 0.750 298 E HN 0.499 nan 8.360 nan 0.000 0.477 299 E N 0.335 120.429 120.200 -0.177 0.000 2.482 299 E HA -0.126 4.232 4.350 0.012 0.000 0.196 299 E C 1.742 178.204 176.600 -0.229 0.000 1.047 299 E CA 0.406 56.698 56.400 -0.179 0.000 0.869 299 E CB -0.243 29.384 29.700 -0.122 0.000 0.836 299 E HN 0.399 nan 8.360 nan 0.000 0.520 300 L N 0.700 121.768 121.223 -0.260 0.000 2.418 300 L HA 0.204 4.551 4.340 0.012 0.000 0.218 300 L C 1.256 178.006 176.870 -0.199 0.000 1.125 300 L CA 0.216 54.913 54.840 -0.239 0.000 0.835 300 L CB -0.013 41.757 42.059 -0.483 0.000 0.953 300 L HN 0.028 nan 8.230 nan 0.000 0.454 301 I N -0.532 119.870 120.570 -0.281 0.000 2.396 301 I HA 0.160 4.337 4.170 0.012 0.000 0.292 301 I C -0.465 175.521 176.117 -0.218 0.000 0.999 301 I CA -0.286 60.916 61.300 -0.163 0.000 1.310 301 I CB 1.010 38.882 38.000 -0.214 0.000 1.404 301 I HN -0.181 nan 8.210 nan 0.000 0.496 302 F N 3.500 123.389 119.950 -0.101 0.000 2.470 302 F HA 0.434 4.968 4.527 0.012 0.000 0.329 302 F C -0.148 175.483 175.800 -0.282 0.000 1.072 302 F CA -0.465 57.508 58.000 -0.045 0.000 0.989 302 F CB 1.259 40.299 39.000 0.067 0.000 1.193 302 F HN 0.372 nan 8.300 nan 0.000 0.481 303 H N 2.417 121.641 119.070 0.257 0.000 2.991 303 H HA 0.418 4.982 4.556 0.012 0.000 0.304 303 H C -0.354 175.087 175.328 0.189 0.000 1.040 303 H CA -0.682 55.472 56.048 0.177 0.000 1.410 303 H CB 0.836 30.654 29.762 0.093 0.000 1.529 303 H HN 0.477 nan 8.280 nan 0.000 0.509 304 I N -0.151 120.583 120.570 0.275 0.000 2.918 304 I HA 0.514 4.692 4.170 0.012 0.000 0.316 304 I C -0.157 176.075 176.117 0.190 0.000 1.001 304 I CA -0.982 60.470 61.300 0.252 0.000 1.142 304 I CB 1.847 40.023 38.000 0.292 0.000 1.356 304 I HN 0.519 nan 8.210 nan 0.000 0.524 305 N N 1.612 120.426 118.700 0.190 0.000 2.361 305 N HA -0.016 4.731 4.740 0.012 0.000 0.253 305 N C -0.117 175.469 175.510 0.126 0.000 1.413 305 N CA -0.441 52.679 53.050 0.117 0.000 0.821 305 N CB -0.927 37.617 38.487 0.095 0.000 1.380 305 N HN 0.895 nan 8.380 nan 0.000 0.493 306 Y N -0.673 119.662 120.300 0.059 0.000 2.466 306 Y HA 0.525 5.082 4.550 0.012 0.000 0.272 306 Y C 0.563 176.488 175.900 0.041 0.000 1.169 306 Y CA -0.250 57.877 58.100 0.044 0.000 1.285 306 Y CB 0.220 38.703 38.460 0.039 0.000 1.078 306 Y HN 0.027 nan 8.280 nan 0.000 0.523 307 L N -0.319 120.663 121.223 -0.401 0.000 2.701 307 L HA 0.512 4.859 4.340 0.012 0.000 0.238 307 L C 1.601 178.357 176.870 -0.191 0.000 1.106 307 L CA 0.739 55.348 54.840 -0.386 0.000 0.898 307 L CB 0.882 42.664 42.059 -0.461 0.000 1.188 307 L HN 0.541 nan 8.230 nan 0.000 0.508 308 G N -0.610 108.121 108.800 -0.116 0.000 4.205 308 G HA2 0.248 4.216 3.960 0.012 0.000 0.200 308 G HA3 0.248 4.216 3.960 0.012 0.000 0.200 308 G C -0.125 174.751 174.900 -0.040 0.000 1.190 308 G CA 0.259 45.313 45.100 -0.077 0.000 0.861 308 G HN 0.306 nan 8.290 nan 0.000 0.326 309 A N -0.051 122.748 122.820 -0.035 0.000 2.529 309 A HA 0.666 4.993 4.320 0.012 0.000 0.296 309 A C -1.847 175.754 177.584 0.028 0.000 1.205 309 A CA 0.317 52.353 52.037 -0.001 0.000 0.671 309 A CB 0.606 19.602 19.000 -0.008 0.000 1.301 309 A HN 0.710 nan 8.150 nan 0.000 0.450 310 D N 0.588 121.021 120.400 0.054 0.000 2.304 310 D HA 0.457 5.105 4.640 0.012 0.000 0.250 310 D C -0.294 176.072 176.300 0.109 0.000 1.107 310 D CA -0.084 53.980 54.000 0.106 0.000 0.885 310 D CB 0.584 41.457 40.800 0.122 0.000 1.192 310 D HN 0.631 nan 8.370 nan 0.000 0.436 311 Q N 0.108 119.985 119.800 0.129 0.000 2.305 311 Q HA 0.499 4.846 4.340 0.012 0.000 0.271 311 Q C -2.946 173.082 176.000 0.048 0.000 1.046 311 Q CA -2.289 53.566 55.803 0.087 0.000 0.798 311 Q CB 2.392 31.155 28.738 0.042 0.000 1.286 311 Q HN 0.135 nan 8.270 nan 0.000 0.435 312 P HA 0.063 nan 4.420 nan 0.000 0.247 312 P C -0.705 176.597 177.300 0.003 0.000 1.756 312 P CA 0.085 63.106 63.100 -0.132 0.000 1.117 312 P CB 0.116 31.805 31.700 -0.018 0.000 1.869 313 T N -0.340 114.246 114.554 0.054 0.000 2.829 313 T HA 0.583 4.940 4.350 0.012 0.000 0.282 313 T C -0.780 174.109 174.700 0.316 0.000 0.990 313 T CA -0.726 61.487 62.100 0.189 0.000 1.028 313 T CB 0.627 69.620 68.868 0.208 0.000 0.951 313 T HN 0.038 nan 8.240 nan 0.000 0.460 314 F N 3.837 123.865 119.950 0.130 0.000 2.769 314 F HA 0.485 5.020 4.527 0.012 0.000 0.358 314 F C -0.525 175.369 175.800 0.157 0.000 1.285 314 F CA -0.646 57.441 58.000 0.145 0.000 1.199 314 F CB 0.458 39.508 39.000 0.085 0.000 1.558 314 F HN 1.014 nan 8.300 nan 0.000 0.583 315 T N 0.821 115.367 114.554 -0.013 0.000 2.868 315 T HA 0.442 4.800 4.350 0.012 0.000 0.306 315 T C 0.561 175.236 174.700 -0.042 0.000 1.224 315 T CA -0.795 61.240 62.100 -0.110 0.000 1.012 315 T CB 1.779 70.645 68.868 -0.003 0.000 1.221 315 T HN 0.258 nan 8.240 nan 0.000 0.499 316 L N 0.213 121.408 121.223 -0.047 0.000 2.446 316 L HA 0.233 4.581 4.340 0.012 0.000 0.219 316 L C 0.871 177.765 176.870 0.041 0.000 1.116 316 L CA 0.230 55.081 54.840 0.019 0.000 0.844 316 L CB -0.288 41.799 42.059 0.046 0.000 0.970 316 L HN 0.582 nan 8.230 nan 0.000 0.457 317 N N -1.122 117.606 118.700 0.048 0.000 2.485 317 N HA 0.266 5.013 4.740 0.012 0.000 0.280 317 N C -0.149 175.478 175.510 0.195 0.000 1.205 317 N CA -0.377 52.726 53.050 0.089 0.000 0.959 317 N CB 2.150 40.663 38.487 0.043 0.000 1.206 317 N HN -0.166 nan 8.380 nan 0.000 0.545 318 F N 0.218 120.182 119.950 0.023 0.000 2.007 318 F HA 0.312 4.846 4.527 0.012 0.000 0.214 318 F C 0.545 176.390 175.800 0.075 0.000 1.245 318 F CA -0.053 57.976 58.000 0.047 0.000 1.293 318 F CB -0.388 38.635 39.000 0.038 0.000 1.849 318 F HN 0.204 nan 8.300 nan 0.000 0.222 319 S N 1.926 117.677 115.700 0.085 0.000 2.549 319 S HA 0.431 4.908 4.470 0.012 0.000 0.283 319 S C -0.857 173.765 174.600 0.037 0.000 1.320 319 S CA -0.185 58.010 58.200 -0.008 0.000 1.058 319 S CB -0.154 63.108 63.200 0.104 0.000 0.882 319 S HN 0.437 nan 8.310 nan 0.000 0.498 320 K N 0.283 120.701 120.400 0.030 0.000 2.685 320 K HA 0.546 4.873 4.320 0.012 0.000 0.290 320 K C -0.254 176.371 176.600 0.041 0.000 1.018 320 K CA -1.167 55.137 56.287 0.028 0.000 0.860 320 K CB 0.228 32.728 32.500 -0.000 0.000 1.498 320 K HN 0.546 nan 8.250 nan 0.000 0.390 321 G N 0.017 108.826 108.800 0.015 0.000 2.491 321 G HA2 0.261 4.229 3.960 0.012 0.000 0.238 321 G HA3 0.261 4.229 3.960 0.012 0.000 0.238 321 G C 0.476 175.391 174.900 0.025 0.000 1.277 321 G CA -0.107 45.002 45.100 0.015 0.000 0.851 321 G HN 0.758 nan 8.290 nan 0.000 0.573 322 S N -0.932 114.799 115.700 0.050 0.000 2.539 322 S HA 0.037 4.514 4.470 0.012 0.000 0.221 322 S C 2.024 176.652 174.600 0.046 0.000 0.987 322 S CA 0.563 58.818 58.200 0.092 0.000 0.929 322 S CB 0.271 63.593 63.200 0.204 0.000 0.832 322 S HN 0.736 nan 8.310 nan 0.000 0.492 323 S N 2.148 117.859 115.700 0.018 0.000 2.383 323 S HA -0.175 4.303 4.470 0.012 0.000 0.227 323 S C 1.820 176.449 174.600 0.049 0.000 1.026 323 S CA 0.972 59.185 58.200 0.022 0.000 0.981 323 S CB -0.601 62.602 63.200 0.006 0.000 0.818 323 S HN 0.491 nan 8.310 nan 0.000 0.472 324 Q N 1.062 120.887 119.800 0.041 0.000 2.119 324 Q HA 0.100 4.447 4.340 0.012 0.000 0.201 324 Q C 2.335 178.391 176.000 0.093 0.000 0.972 324 Q CA 1.188 57.030 55.803 0.064 0.000 0.847 324 Q CB -0.675 28.086 28.738 0.039 0.000 0.903 324 Q HN 0.454 nan 8.270 nan 0.000 0.433 325 V N 0.530 120.476 119.914 0.054 0.000 2.261 325 V HA -0.272 3.855 4.120 0.012 0.000 0.246 325 V C 2.015 178.251 176.094 0.238 0.000 1.047 325 V CA 1.762 64.147 62.300 0.142 0.000 1.015 325 V CB -0.466 31.385 31.823 0.047 0.000 0.642 325 V HN 0.365 nan 8.190 nan 0.000 0.446 326 I N 0.360 121.035 120.570 0.175 0.000 2.208 326 I HA -0.260 3.917 4.170 0.012 0.000 0.245 326 I C 2.648 178.905 176.117 0.234 0.000 1.097 326 I CA 1.534 62.950 61.300 0.194 0.000 1.363 326 I CB -0.614 37.455 38.000 0.115 0.000 1.051 326 I HN 0.294 nan 8.210 nan 0.000 0.413 327 A N 0.115 123.034 122.820 0.165 0.000 1.940 327 A HA -0.305 4.022 4.320 0.012 0.000 0.219 327 A C 2.241 179.958 177.584 0.222 0.000 1.176 327 A CA 2.085 54.208 52.037 0.143 0.000 0.631 327 A CB -0.638 18.407 19.000 0.074 0.000 0.814 327 A HN 0.438 nan 8.150 nan 0.000 0.446 328 Q N -1.440 118.514 119.800 0.256 0.000 2.050 328 Q HA -0.209 4.138 4.340 0.012 0.000 0.202 328 Q C 1.868 178.029 176.000 0.268 0.000 0.980 328 Q CA 2.267 58.242 55.803 0.287 0.000 0.840 328 Q CB -0.632 28.386 28.738 0.468 0.000 0.898 328 Q HN 0.699 nan 8.270 nan 0.000 0.424 329 Y N -0.342 120.069 120.300 0.184 0.000 2.181 329 Y HA -0.285 4.272 4.550 0.012 0.000 0.288 329 Y C 2.039 178.012 175.900 0.121 0.000 1.146 329 Y CA 1.952 60.129 58.100 0.128 0.000 1.164 329 Y CB -0.626 37.913 38.460 0.132 0.000 0.982 329 Y HN 0.368 nan 8.280 nan 0.000 0.515 330 Y N 0.747 121.100 120.300 0.089 0.000 2.070 330 Y HA -0.341 4.216 4.550 0.012 0.000 0.280 330 Y C 2.472 178.330 175.900 -0.069 0.000 1.148 330 Y CA 2.375 60.469 58.100 -0.010 0.000 1.125 330 Y CB -0.620 37.856 38.460 0.026 0.000 0.975 330 Y HN 0.117 nan 8.280 nan 0.000 0.492 331 Q N 0.447 120.293 119.800 0.076 0.000 2.112 331 Q HA -0.210 4.137 4.340 0.012 0.000 0.206 331 Q C 2.471 178.447 176.000 -0.039 0.000 0.987 331 Q CA 2.055 57.842 55.803 -0.027 0.000 0.858 331 Q CB -0.690 28.096 28.738 0.080 0.000 0.905 331 Q HN 0.600 nan 8.270 nan 0.000 0.420 332 L N 0.182 121.386 121.223 -0.032 0.000 1.994 332 L HA -0.208 4.139 4.340 0.012 0.000 0.208 332 L C 2.393 179.152 176.870 -0.185 0.000 1.071 332 L CA 1.299 56.098 54.840 -0.067 0.000 0.745 332 L CB -0.684 41.290 42.059 -0.142 0.000 0.892 332 L HN 0.277 nan 8.230 nan 0.000 0.431 333 I N -3.277 117.072 120.570 -0.368 0.000 2.761 333 I HA -0.082 4.095 4.170 0.012 0.000 0.261 333 I C 2.535 178.479 176.117 -0.288 0.000 1.198 333 I CA 1.116 62.209 61.300 -0.345 0.000 1.482 333 I CB -0.524 37.191 38.000 -0.475 0.000 1.100 333 I HN 0.090 nan 8.210 nan 0.000 0.445 334 R N 1.540 121.805 120.500 -0.391 0.000 2.080 334 R HA 0.132 4.480 4.340 0.012 0.000 0.222 334 R C 1.962 178.111 176.300 -0.251 0.000 1.107 334 R CA 1.465 57.316 56.100 -0.416 0.000 0.980 334 R CB -0.330 29.463 30.300 -0.845 0.000 0.879 334 R HN 0.477 nan 8.270 nan 0.000 0.439 335 L N -0.244 120.856 121.223 -0.205 0.000 2.145 335 L HA 0.170 4.517 4.340 0.012 0.000 0.201 335 L C 1.333 178.180 176.870 -0.039 0.000 1.075 335 L CA 0.686 55.445 54.840 -0.136 0.000 0.773 335 L CB -0.708 41.209 42.059 -0.238 0.000 0.936 335 L HN 0.446 nan 8.230 nan 0.000 0.451 336 G N -0.678 108.128 108.800 0.010 0.000 2.752 336 G HA2 -0.302 3.665 3.960 0.012 0.000 0.234 336 G HA3 -0.302 3.665 3.960 0.012 0.000 0.234 336 G C 0.432 175.370 174.900 0.063 0.000 1.367 336 G CA 0.218 45.333 45.100 0.026 0.000 0.879 336 G HN 0.303 nan 8.290 nan 0.000 0.563 337 H N 0.319 119.448 119.070 0.100 0.000 2.319 337 H HA -0.120 4.443 4.556 0.012 0.000 0.297 337 H C 2.466 177.828 175.328 0.056 0.000 1.097 337 H CA 2.133 58.278 56.048 0.161 0.000 1.285 337 H CB -0.065 29.820 29.762 0.205 0.000 1.368 337 H HN 0.717 nan 8.280 nan 0.000 0.495 338 E N 0.341 120.638 120.200 0.162 0.000 2.049 338 E HA -0.156 4.201 4.350 0.012 0.000 0.198 338 E C 2.537 179.137 176.600 0.001 0.000 1.007 338 E CA 1.205 57.649 56.400 0.073 0.000 0.809 338 E CB -0.286 29.441 29.700 0.045 0.000 0.749 338 E HN 0.458 nan 8.360 nan 0.000 0.450 339 G N -0.490 108.287 108.800 -0.037 0.000 2.446 339 G HA2 -0.279 3.688 3.960 0.012 0.000 0.217 339 G HA3 -0.279 3.688 3.960 0.012 0.000 0.217 339 G C 1.248 176.022 174.900 -0.211 0.000 1.168 339 G CA 1.083 46.111 45.100 -0.121 0.000 0.771 339 G HN 0.331 nan 8.290 nan 0.000 0.551 340 Y N 0.337 120.418 120.300 -0.365 0.000 2.224 340 Y HA -0.046 4.511 4.550 0.012 0.000 0.289 340 Y C 3.007 178.646 175.900 -0.435 0.000 1.146 340 Y CA 1.631 59.377 58.100 -0.589 0.000 1.182 340 Y CB -0.114 37.503 38.460 -1.406 0.000 0.983 340 Y HN 0.050 nan 8.280 nan 0.000 0.524 341 R N 0.389 120.799 120.500 -0.151 0.000 2.073 341 R HA -0.183 4.164 4.340 0.012 0.000 0.234 341 R C 1.830 178.134 176.300 0.007 0.000 1.134 341 R CA 1.670 57.790 56.100 0.033 0.000 0.952 341 R CB -0.224 30.145 30.300 0.116 0.000 0.850 341 R HN 0.344 nan 8.270 nan 0.000 0.433 342 N N 0.166 118.851 118.700 -0.025 0.000 2.104 342 N HA -0.146 4.601 4.740 0.012 0.000 0.190 342 N C 1.829 177.321 175.510 -0.031 0.000 1.024 342 N CA 1.335 54.369 53.050 -0.027 0.000 0.853 342 N CB -0.395 38.068 38.487 -0.039 0.000 1.008 342 N HN 0.056 nan 8.380 nan 0.000 0.424 343 V N 1.492 121.369 119.914 -0.062 0.000 2.343 343 V HA -0.186 3.941 4.120 0.012 0.000 0.247 343 V C 2.328 178.441 176.094 0.032 0.000 1.051 343 V CA 1.223 63.499 62.300 -0.040 0.000 1.036 343 V CB -0.357 31.404 31.823 -0.103 0.000 0.654 343 V HN 0.237 nan 8.190 nan 0.000 0.451 344 M N -0.486 119.146 119.600 0.052 0.000 2.132 344 M HA -0.127 4.360 4.480 0.012 0.000 0.263 344 M C 2.115 178.443 176.300 0.047 0.000 1.065 344 M CA 1.451 56.805 55.300 0.089 0.000 1.122 344 M CB -1.300 31.376 32.600 0.127 0.000 1.365 344 M HN 0.432 nan 8.290 nan 0.000 0.411 345 E N 0.294 120.509 120.200 0.026 0.000 2.077 345 E HA -0.189 4.168 4.350 0.012 0.000 0.193 345 E C 1.849 178.460 176.600 0.018 0.000 0.989 345 E CA 1.016 57.423 56.400 0.011 0.000 0.800 345 E CB -0.158 29.545 29.700 0.006 0.000 0.746 345 E HN 0.479 nan 8.360 nan 0.000 0.452 346 N N 0.456 119.168 118.700 0.019 0.000 2.120 346 N HA -0.139 4.609 4.740 0.012 0.000 0.188 346 N C 1.809 177.350 175.510 0.051 0.000 1.024 346 N CA 0.956 54.018 53.050 0.020 0.000 0.852 346 N CB -0.597 37.892 38.487 0.003 0.000 1.003 346 N HN 0.201 nan 8.380 nan 0.000 0.424 347 C N 0.493 119.840 119.300 0.077 0.000 2.446 347 C HA -0.002 4.465 4.460 0.012 0.000 0.277 347 C C 2.739 177.779 174.990 0.082 0.000 1.275 347 C CA 0.213 59.300 59.018 0.116 0.000 1.727 347 C CB -0.828 27.018 27.740 0.178 0.000 2.010 347 C HN 0.481 nan 8.230 nan 0.000 0.486 348 R N 1.014 121.545 120.500 0.053 0.000 2.081 348 R HA -0.165 4.183 4.340 0.012 0.000 0.235 348 R C 2.105 178.422 176.300 0.029 0.000 1.131 348 R CA 1.879 57.999 56.100 0.033 0.000 0.960 348 R CB -0.328 29.984 30.300 0.021 0.000 0.856 348 R HN 0.447 nan 8.270 nan 0.000 0.436 349 E N 0.825 121.041 120.200 0.027 0.000 2.058 349 E HA -0.179 4.178 4.350 0.012 0.000 0.194 349 E C 1.595 178.210 176.600 0.025 0.000 0.997 349 E CA 1.717 58.128 56.400 0.019 0.000 0.801 349 E CB -0.198 29.509 29.700 0.012 0.000 0.746 349 E HN 0.326 nan 8.360 nan 0.000 0.450 350 N N -0.154 118.577 118.700 0.052 0.000 2.223 350 N HA -0.155 4.592 4.740 0.012 0.000 0.185 350 N C 1.764 177.317 175.510 0.071 0.000 1.016 350 N CA 1.206 54.308 53.050 0.086 0.000 0.863 350 N CB -0.314 38.284 38.487 0.186 0.000 0.983 350 N HN 0.351 nan 8.380 nan 0.000 0.429 351 M N 0.479 120.104 119.600 0.041 0.000 2.086 351 M HA -0.107 4.381 4.480 0.012 0.000 0.261 351 M C 1.774 178.062 176.300 -0.020 0.000 1.067 351 M CA 1.373 56.672 55.300 -0.001 0.000 1.116 351 M CB -0.054 32.543 32.600 -0.004 0.000 1.348 351 M HN -0.006 nan 8.290 nan 0.000 0.407 352 I N -0.236 120.328 120.570 -0.011 0.000 2.179 352 I HA -0.280 3.897 4.170 0.012 0.000 0.242 352 I C 2.304 178.402 176.117 -0.032 0.000 1.088 352 I CA 1.135 62.422 61.300 -0.022 0.000 1.357 352 I CB -0.575 37.419 38.000 -0.011 0.000 1.051 352 I HN 0.163 nan 8.210 nan 0.000 0.409 353 V N 0.862 120.763 119.914 -0.021 0.000 2.332 353 V HA -0.284 3.844 4.120 0.012 0.000 0.248 353 V C 2.391 178.453 176.094 -0.054 0.000 1.055 353 V CA 1.894 64.176 62.300 -0.030 0.000 1.038 353 V CB -0.582 31.230 31.823 -0.017 0.000 0.651 353 V HN 0.389 nan 8.190 nan 0.000 0.450 354 L N 0.183 121.373 121.223 -0.054 0.000 2.109 354 L HA -0.072 4.275 4.340 0.012 0.000 0.207 354 L C 2.511 179.279 176.870 -0.170 0.000 1.086 354 L CA 1.890 56.664 54.840 -0.110 0.000 0.760 354 L CB -0.856 41.143 42.059 -0.099 0.000 0.910 354 L HN 0.196 nan 8.230 nan 0.000 0.437 355 R N -0.143 120.278 120.500 -0.133 0.000 2.070 355 R HA -0.193 4.154 4.340 0.012 0.000 0.233 355 R C 2.108 178.332 176.300 -0.127 0.000 1.137 355 R CA 2.074 58.088 56.100 -0.143 0.000 0.945 355 R CB -0.300 29.947 30.300 -0.088 0.000 0.845 355 R HN 0.543 nan 8.270 nan 0.000 0.430 356 E N -0.811 119.337 120.200 -0.088 0.000 2.038 356 E HA -0.162 4.195 4.350 0.012 0.000 0.195 356 E C 1.952 178.505 176.600 -0.077 0.000 1.000 356 E CA 1.224 57.584 56.400 -0.068 0.000 0.803 356 E CB -0.379 29.291 29.700 -0.050 0.000 0.750 356 E HN 0.606 nan 8.360 nan 0.000 0.448 357 G N 1.213 109.957 108.800 -0.094 0.000 2.475 357 G HA2 -0.253 3.714 3.960 0.012 0.000 0.220 357 G HA3 -0.253 3.714 3.960 0.012 0.000 0.220 357 G C 1.540 176.378 174.900 -0.103 0.000 1.125 357 G CA 0.702 45.744 45.100 -0.095 0.000 0.755 357 G HN 0.097 nan 8.290 nan 0.000 0.565 358 L N -0.411 120.714 121.223 -0.165 0.000 2.209 358 L HA 0.098 4.445 4.340 0.012 0.000 0.207 358 L C 2.754 179.623 176.870 -0.001 0.000 1.094 358 L CA 0.657 55.402 54.840 -0.159 0.000 0.790 358 L CB -0.286 41.457 42.059 -0.527 0.000 0.932 358 L HN 0.251 nan 8.230 nan 0.000 0.447 359 E N 0.462 120.635 120.200 -0.044 0.000 2.106 359 E HA -0.241 4.116 4.350 0.012 0.000 0.192 359 E C 2.024 178.618 176.600 -0.009 0.000 0.984 359 E CA 0.829 57.222 56.400 -0.011 0.000 0.806 359 E CB 0.050 29.734 29.700 -0.027 0.000 0.750 359 E HN 0.288 nan 8.360 nan 0.000 0.458 360 K N 0.803 121.190 120.400 -0.021 0.000 2.209 360 K HA -0.127 4.200 4.320 0.012 0.000 0.204 360 K C 2.068 178.656 176.600 -0.020 0.000 1.048 360 K CA 1.643 57.916 56.287 -0.022 0.000 0.940 360 K CB 0.007 32.490 32.500 -0.029 0.000 0.729 360 K HN 0.164 nan 8.250 nan 0.000 0.451 361 T N -2.289 112.260 114.554 -0.010 0.000 3.067 361 T HA 0.025 4.382 4.350 0.012 0.000 0.261 361 T C 0.253 174.910 174.700 -0.072 0.000 1.110 361 T CA 0.605 62.688 62.100 -0.030 0.000 1.113 361 T CB -0.214 68.654 68.868 0.001 0.000 0.917 361 T HN 0.395 nan 8.240 nan 0.000 0.499 362 E N 0.255 120.425 120.200 -0.050 0.000 2.660 362 E HA -0.255 4.102 4.350 0.012 0.000 0.260 362 E C 1.025 177.540 176.600 -0.142 0.000 1.122 362 E CA 0.584 56.945 56.400 -0.064 0.000 0.755 362 E CB -1.046 28.623 29.700 -0.051 0.000 1.345 362 E HN 0.616 nan 8.360 nan 0.000 0.421 363 R N -0.756 119.570 120.500 -0.291 0.000 2.282 363 R HA 0.213 4.560 4.340 0.012 0.000 0.195 363 R C 0.313 176.208 176.300 -0.675 0.000 0.909 363 R CA 0.424 56.173 56.100 -0.584 0.000 1.039 363 R CB 0.486 30.212 30.300 -0.957 0.000 1.015 363 R HN -0.003 nan 8.270 nan 0.000 0.513 364 F N -0.202 119.748 119.950 -0.001 0.000 2.598 364 F HA 0.390 4.924 4.527 0.012 0.000 0.327 364 F C -0.008 175.809 175.800 0.028 0.000 1.057 364 F CA -1.363 56.661 58.000 0.040 0.000 0.957 364 F CB 1.113 40.145 39.000 0.052 0.000 1.278 364 F HN -0.277 nan 8.300 nan 0.000 0.484 365 N N 2.077 120.938 118.700 0.268 0.000 2.469 365 N HA 0.301 5.048 4.740 0.012 0.000 0.253 365 N C -0.853 174.749 175.510 0.153 0.000 0.970 365 N CA -0.429 52.714 53.050 0.155 0.000 0.940 365 N CB 1.241 39.792 38.487 0.107 0.000 1.128 365 N HN 0.338 nan 8.380 nan 0.000 0.503 366 I N 2.388 123.022 120.570 0.105 0.000 2.578 366 I HA -0.032 4.145 4.170 0.012 0.000 0.286 366 I C 1.470 177.613 176.117 0.044 0.000 1.126 366 I CA 0.230 61.574 61.300 0.073 0.000 1.380 366 I CB 0.200 38.214 38.000 0.022 0.000 1.408 366 I HN 0.240 nan 8.210 nan 0.000 0.532 367 V N 6.279 126.200 119.914 0.011 0.000 3.647 367 V HA 0.052 4.179 4.120 0.012 0.000 0.279 367 V C 1.140 177.195 176.094 -0.064 0.000 1.314 367 V CA 0.381 62.652 62.300 -0.047 0.000 1.125 367 V CB 0.212 31.912 31.823 -0.205 0.000 0.907 367 V HN 0.868 nan 8.190 nan 0.000 0.434 368 S N 0.227 115.903 115.700 -0.039 0.000 2.681 368 S HA 0.621 5.098 4.470 0.012 0.000 0.299 368 S C -0.326 174.250 174.600 -0.041 0.000 1.113 368 S CA -0.837 57.337 58.200 -0.043 0.000 1.013 368 S CB 1.856 65.034 63.200 -0.037 0.000 1.076 368 S HN 0.128 nan 8.310 nan 0.000 0.534 369 K N 0.774 121.133 120.400 -0.069 0.000 2.127 369 K HA 0.340 4.667 4.320 0.012 0.000 0.240 369 K C 0.390 176.935 176.600 -0.091 0.000 1.024 369 K CA -0.696 55.539 56.287 -0.087 0.000 0.918 369 K CB 0.339 32.761 32.500 -0.131 0.000 1.108 369 K HN 0.611 nan 8.250 nan 0.000 0.485 370 D N 0.750 121.097 120.400 -0.087 0.000 2.123 370 D HA -0.070 4.577 4.640 0.012 0.000 0.200 370 D C -0.045 176.206 176.300 -0.081 0.000 0.976 370 D CA 1.405 55.365 54.000 -0.067 0.000 0.831 370 D CB 0.369 41.141 40.800 -0.046 0.000 0.974 370 D HN 0.336 nan 8.370 nan 0.000 0.469 371 E N -0.348 119.758 120.200 -0.156 0.000 2.221 371 E HA 0.624 4.981 4.350 0.012 0.000 0.268 371 E C 0.766 177.076 176.600 -0.483 0.000 0.933 371 E CA -0.663 55.599 56.400 -0.231 0.000 0.809 371 E CB 2.215 31.709 29.700 -0.343 0.000 1.190 371 E HN 0.130 nan 8.360 nan 0.000 0.406 372 G N -0.081 108.347 108.800 -0.620 0.000 2.236 372 G HA2 -0.113 3.854 3.960 0.012 0.000 0.231 372 G HA3 -0.113 3.854 3.960 0.012 0.000 0.231 372 G C -1.017 173.557 174.900 -0.542 0.000 1.334 372 G CA -0.525 43.837 45.100 -1.231 0.000 1.137 372 G HN 0.340 nan 8.290 nan 0.000 0.482 373 V N 2.733 122.451 119.914 -0.325 0.000 2.585 373 V HA 0.337 4.465 4.120 0.012 0.000 0.296 373 V C -1.633 174.442 176.094 -0.032 0.000 1.035 373 V CA -0.179 62.097 62.300 -0.040 0.000 1.084 373 V CB 1.169 33.092 31.823 0.167 0.000 0.953 373 V HN 0.492 nan 8.190 nan 0.000 0.483 374 P HA 0.228 nan 4.420 nan 0.000 0.262 374 P C -0.856 176.473 177.300 0.049 0.000 1.455 374 P CA 0.208 63.320 63.100 0.020 0.000 1.217 374 P CB -0.153 31.581 31.700 0.056 0.000 1.625 375 L N 0.699 121.926 121.223 0.007 0.000 2.765 375 L HA 0.761 5.108 4.340 0.012 0.000 0.263 375 L C -1.400 175.453 176.870 -0.029 0.000 1.068 375 L CA -1.174 53.650 54.840 -0.027 0.000 0.903 375 L CB 1.260 43.315 42.059 -0.006 0.000 1.512 375 L HN -0.206 nan 8.230 nan 0.000 0.404 376 V N 0.789 120.686 119.914 -0.028 0.000 2.482 376 V HA 0.895 5.022 4.120 0.012 0.000 0.295 376 V C -0.110 176.044 176.094 0.099 0.000 1.026 376 V CA -0.076 62.239 62.300 0.025 0.000 0.856 376 V CB 1.265 33.083 31.823 -0.008 0.000 1.001 376 V HN 1.164 nan 8.190 nan 0.000 0.424 377 A N 5.939 128.791 122.820 0.055 0.000 2.303 377 A HA 1.018 5.345 4.320 0.012 0.000 0.320 377 A C -0.900 176.687 177.584 0.006 0.000 1.192 377 A CA -0.386 51.610 52.037 -0.069 0.000 0.821 377 A CB 0.749 19.670 19.000 -0.132 0.000 1.188 377 A HN 1.091 nan 8.150 nan 0.000 0.492 378 F N -0.158 119.648 119.950 -0.240 0.000 2.631 378 F HA 0.834 5.368 4.527 0.011 0.000 0.308 378 F C -0.261 175.438 175.800 -0.168 0.000 1.097 378 F CA -0.914 56.969 58.000 -0.195 0.000 0.952 378 F CB 1.180 40.037 39.000 -0.238 0.000 1.307 378 F HN 0.312 nan 8.300 nan 0.000 0.450 379 S N 1.367 117.113 115.700 0.076 0.000 2.648 379 S HA 0.684 5.161 4.470 0.012 0.000 0.305 379 S C -0.823 173.943 174.600 0.277 0.000 1.094 379 S CA -0.871 57.355 58.200 0.043 0.000 0.983 379 S CB 1.797 64.983 63.200 -0.024 0.000 1.101 379 S HN 0.678 nan 8.310 nan 0.000 0.514 380 L N 2.182 123.529 121.223 0.206 0.000 2.319 380 L HA 0.290 4.637 4.340 0.012 0.000 0.280 380 L C 0.213 177.127 176.870 0.073 0.000 1.099 380 L CA -0.223 54.723 54.840 0.176 0.000 0.828 380 L CB 0.422 42.558 42.059 0.127 0.000 1.150 380 L HN 0.490 nan 8.230 nan 0.000 0.442 381 K N 3.248 123.657 120.400 0.014 0.000 2.412 381 K HA 0.015 4.342 4.320 0.012 0.000 0.284 381 K C -0.229 176.368 176.600 -0.005 0.000 1.046 381 K CA 0.217 56.504 56.287 0.000 0.000 0.999 381 K CB 0.085 32.565 32.500 -0.033 0.000 0.941 381 K HN 0.555 nan 8.250 nan 0.000 0.474 382 D N 2.410 122.820 120.400 0.017 0.000 3.830 382 D HA -0.136 4.512 4.640 0.012 0.000 0.247 382 D C -0.926 175.391 176.300 0.028 0.000 1.073 382 D CA 0.414 54.425 54.000 0.018 0.000 1.116 382 D CB -0.973 39.829 40.800 0.003 0.000 0.909 382 D HN 0.423 nan 8.370 nan 0.000 0.418 383 S N 1.150 116.876 115.700 0.044 0.000 2.930 383 S HA 0.172 4.649 4.470 0.012 0.000 0.257 383 S C 1.707 176.334 174.600 0.046 0.000 1.208 383 S CA 0.165 58.401 58.200 0.060 0.000 1.233 383 S CB 0.044 63.288 63.200 0.073 0.000 0.900 383 S HN 0.597 nan 8.310 nan 0.000 0.472 384 S N 1.283 116.995 115.700 0.020 0.000 2.309 384 S HA -0.109 4.368 4.470 0.012 0.000 0.206 384 S C 2.255 176.822 174.600 -0.055 0.000 1.028 384 S CA 0.920 59.115 58.200 -0.008 0.000 0.972 384 S CB -1.154 62.037 63.200 -0.015 0.000 0.961 384 S HN 0.800 nan 8.310 nan 0.000 0.449 385 C N 1.303 120.530 119.300 -0.121 0.000 2.448 385 C HA 0.322 4.789 4.460 0.012 0.000 0.280 385 C C 0.881 175.519 174.990 -0.588 0.000 1.398 385 C CA -0.546 58.268 59.018 -0.340 0.000 1.774 385 C CB -1.687 25.817 27.740 -0.394 0.000 1.888 385 C HN 0.569 nan 8.230 nan 0.000 0.519 386 H N 0.528 119.624 119.070 0.043 0.000 2.894 386 H HA 0.468 5.028 4.556 0.007 0.000 0.367 386 H C -0.422 174.955 175.328 0.080 0.000 1.144 386 H CA 0.319 56.404 56.048 0.061 0.000 1.180 386 H CB 1.830 31.626 29.762 0.057 0.000 1.758 386 H HN 0.369 nan 8.280 nan 0.000 0.541 387 T N -1.109 113.586 114.554 0.236 0.000 2.944 387 T HA 0.217 4.574 4.350 0.012 0.000 0.284 387 T C 0.991 175.801 174.700 0.183 0.000 1.010 387 T CA -0.772 61.460 62.100 0.220 0.000 1.025 387 T CB 1.799 70.851 68.868 0.306 0.000 1.079 387 T HN 0.390 nan 8.240 nan 0.000 0.516 388 E N 0.121 120.363 120.200 0.070 0.000 2.204 388 E HA 0.057 4.414 4.350 0.012 0.000 0.195 388 E C 1.210 177.728 176.600 -0.137 0.000 0.990 388 E CA 1.095 57.434 56.400 -0.102 0.000 0.821 388 E CB -0.576 28.928 29.700 -0.327 0.000 0.750 388 E HN 0.725 nan 8.360 nan 0.000 0.477 389 F N 1.147 121.110 119.950 0.021 0.000 2.186 389 F HA -0.104 4.429 4.527 0.010 0.000 0.299 389 F C 2.045 177.876 175.800 0.051 0.000 1.090 389 F CA 1.084 59.102 58.000 0.031 0.000 1.307 389 F CB -0.245 38.776 39.000 0.035 0.000 1.019 389 F HN 0.033 nan 8.300 nan 0.000 0.489 390 E N 0.537 120.886 120.200 0.247 0.000 2.077 390 E HA -0.184 4.173 4.350 0.012 0.000 0.193 390 E C 2.283 178.959 176.600 0.127 0.000 0.989 390 E CA 1.397 57.902 56.400 0.176 0.000 0.800 390 E CB -0.301 29.509 29.700 0.183 0.000 0.746 390 E HN 0.436 nan 8.360 nan 0.000 0.452 391 I N 0.817 121.450 120.570 0.106 0.000 2.286 391 I HA -0.253 3.924 4.170 0.012 0.000 0.248 391 I C 2.681 178.847 176.117 0.081 0.000 1.115 391 I CA 0.742 62.096 61.300 0.089 0.000 1.392 391 I CB -0.319 37.739 38.000 0.096 0.000 1.065 391 I HN 0.073 nan 8.210 nan 0.000 0.418 392 S N 0.769 116.502 115.700 0.055 0.000 2.356 392 S HA -0.214 4.263 4.470 0.012 0.000 0.223 392 S C 1.744 176.409 174.600 0.108 0.000 1.032 392 S CA 1.778 60.012 58.200 0.057 0.000 1.005 392 S CB -0.244 62.970 63.200 0.023 0.000 0.867 392 S HN 0.363 nan 8.310 nan 0.000 0.449 393 D N 0.677 121.150 120.400 0.122 0.000 2.117 393 D HA -0.073 4.574 4.640 0.012 0.000 0.197 393 D C 1.889 178.266 176.300 0.128 0.000 0.987 393 D CA 1.094 55.166 54.000 0.120 0.000 0.829 393 D CB -0.400 40.469 40.800 0.116 0.000 0.961 393 D HN 0.361 nan 8.370 nan 0.000 0.460 394 M N 0.219 119.902 119.600 0.139 0.000 2.108 394 M HA -0.090 4.397 4.480 0.012 0.000 0.261 394 M C 2.012 178.477 176.300 0.275 0.000 1.066 394 M CA 1.098 56.502 55.300 0.173 0.000 1.107 394 M CB -0.244 32.453 32.600 0.161 0.000 1.356 394 M HN -0.045 nan 8.290 nan 0.000 0.406 395 L N -1.160 120.225 121.223 0.270 0.000 2.191 395 L HA -0.198 4.150 4.340 0.012 0.000 0.212 395 L C 2.448 179.551 176.870 0.387 0.000 1.103 395 L CA 0.618 55.688 54.840 0.383 0.000 0.769 395 L CB -0.661 41.556 42.059 0.263 0.000 0.908 395 L HN 0.198 nan 8.230 nan 0.000 0.438 396 R N 0.627 121.268 120.500 0.235 0.000 2.117 396 R HA -0.168 4.179 4.340 0.012 0.000 0.243 396 R C 2.262 178.625 176.300 0.105 0.000 1.143 396 R CA 1.382 57.576 56.100 0.156 0.000 0.968 396 R CB -0.557 29.805 30.300 0.104 0.000 0.863 396 R HN 0.438 nan 8.270 nan 0.000 0.444 397 R N -0.918 119.631 120.500 0.081 0.000 2.120 397 R HA -0.137 4.210 4.340 0.012 0.000 0.234 397 R C 1.832 178.025 176.300 -0.178 0.000 1.123 397 R CA 1.444 57.488 56.100 -0.092 0.000 0.975 397 R CB -0.275 29.899 30.300 -0.210 0.000 0.866 397 R HN 0.329 nan 8.270 nan 0.000 0.446 398 Y N -0.960 119.362 120.300 0.037 0.000 2.544 398 Y HA 0.156 4.712 4.550 0.010 0.000 0.286 398 Y C 1.790 177.560 175.900 -0.217 0.000 1.141 398 Y CA 0.731 58.814 58.100 -0.027 0.000 1.299 398 Y CB 0.559 39.093 38.460 0.123 0.000 1.030 398 Y HN 0.296 nan 8.280 nan 0.000 0.543 399 G N -1.815 106.966 108.800 -0.031 0.000 2.201 399 G HA2 -0.235 3.732 3.960 0.012 0.000 0.212 399 G HA3 -0.235 3.732 3.960 0.012 0.000 0.212 399 G C -0.192 174.624 174.900 -0.139 0.000 0.994 399 G CA -0.559 44.451 45.100 -0.151 0.000 0.644 399 G HN 0.270 nan 8.290 nan 0.000 0.508 400 W N 0.753 122.124 121.300 0.118 0.000 2.238 400 W HA 0.667 5.333 4.660 0.010 0.000 0.321 400 W C 0.791 177.348 176.519 0.063 0.000 1.293 400 W CA -0.734 56.663 57.345 0.087 0.000 1.204 400 W CB 0.593 30.101 29.460 0.081 0.000 1.167 400 W HN 0.006 nan 8.180 nan 0.000 0.553 401 I N 4.560 125.311 120.570 0.302 0.000 2.371 401 I HA 0.235 4.412 4.170 0.012 0.000 0.282 401 I C -0.708 175.483 176.117 0.124 0.000 1.031 401 I CA -0.785 60.618 61.300 0.170 0.000 1.180 401 I CB 0.411 38.476 38.000 0.108 0.000 1.336 401 I HN 0.002 nan 8.210 nan 0.000 0.467 402 V N 8.076 128.046 119.914 0.093 0.000 2.407 402 V HA 0.391 4.518 4.120 0.012 0.000 0.291 402 V C -2.287 173.800 176.094 -0.011 0.000 1.018 402 V CA -1.671 60.637 62.300 0.013 0.000 0.842 402 V CB 1.692 33.505 31.823 -0.017 0.000 0.996 402 V HN 0.495 nan 8.190 nan 0.000 0.426 403 P HA 0.607 nan 4.420 nan 0.000 0.281 403 P C -0.875 176.394 177.300 -0.052 0.000 1.249 403 P CA -0.355 62.761 63.100 0.026 0.000 0.810 403 P CB 1.308 33.061 31.700 0.089 0.000 1.008 404 A N 2.353 125.115 122.820 -0.096 0.000 2.365 404 A HA 0.852 5.179 4.320 0.012 0.000 0.318 404 A C -1.511 175.945 177.584 -0.212 0.000 1.091 404 A CA -0.538 51.247 52.037 -0.421 0.000 0.763 404 A CB 0.819 19.305 19.000 -0.856 0.000 1.248 404 A HN 0.651 nan 8.150 nan 0.000 0.442 405 Y N -1.301 118.784 120.300 -0.357 0.000 2.592 405 Y HA 0.680 5.238 4.550 0.012 0.000 0.334 405 Y C -0.101 175.762 175.900 -0.061 0.000 1.136 405 Y CA -0.731 57.312 58.100 -0.095 0.000 1.042 405 Y CB 0.668 39.110 38.460 -0.030 0.000 1.325 405 Y HN 0.699 nan 8.280 nan 0.000 0.457 406 T N 0.934 115.610 114.554 0.204 0.000 2.889 406 T HA 0.463 4.820 4.350 0.012 0.000 0.291 406 T C 0.256 175.048 174.700 0.154 0.000 0.995 406 T CA -0.910 61.263 62.100 0.121 0.000 1.092 406 T CB 0.794 69.766 68.868 0.174 0.000 0.954 406 T HN 0.634 nan 8.240 nan 0.000 0.506 407 M N 2.431 122.076 119.600 0.075 0.000 2.232 407 M HA 0.288 4.775 4.480 0.012 0.000 0.321 407 M C -2.177 174.205 176.300 0.136 0.000 1.101 407 M CA -2.479 52.894 55.300 0.121 0.000 1.181 407 M CB -0.632 32.035 32.600 0.111 0.000 1.432 407 M HN 0.457 nan 8.290 nan 0.000 0.457 408 P HA 0.251 nan 4.420 nan 0.000 0.272 408 P C -2.503 174.867 177.300 0.116 0.000 1.240 408 P CA -0.976 62.195 63.100 0.119 0.000 0.791 408 P CB -0.460 31.306 31.700 0.110 0.000 0.978 409 P HA 0.074 nan 4.420 nan 0.000 0.269 409 P C -0.539 176.809 177.300 0.081 0.000 1.209 409 P CA 0.300 63.455 63.100 0.093 0.000 0.776 409 P CB 0.152 31.895 31.700 0.073 0.000 0.876 410 N N 2.049 120.796 118.700 0.078 0.000 3.083 410 N HA 0.372 5.119 4.740 0.012 0.000 0.260 410 N C -0.086 175.520 175.510 0.160 0.000 1.163 410 N CA -0.141 52.972 53.050 0.105 0.000 1.060 410 N CB 0.223 38.756 38.487 0.077 0.000 1.345 410 N HN 0.369 nan 8.380 nan 0.000 0.515 411 A N 0.952 123.867 122.820 0.159 0.000 2.639 411 A HA 0.084 4.411 4.320 0.012 0.000 0.221 411 A C 0.899 178.494 177.584 0.019 0.000 0.879 411 A CA -0.295 51.786 52.037 0.073 0.000 1.189 411 A CB 0.033 19.087 19.000 0.091 0.000 1.231 411 A HN 0.306 nan 8.150 nan 0.000 0.457 412 Q N 0.308 120.201 119.800 0.153 0.000 2.541 412 Q HA -0.113 4.234 4.340 0.012 0.000 0.215 412 Q C 1.419 177.507 176.000 0.146 0.000 0.977 412 Q CA 1.226 57.109 55.803 0.133 0.000 0.934 412 Q CB -0.207 28.614 28.738 0.138 0.000 0.988 412 Q HN 0.969 nan 8.270 nan 0.000 0.521 413 H N -1.349 117.771 119.070 0.082 0.000 2.575 413 H HA 0.148 4.711 4.556 0.011 0.000 0.267 413 H C 0.217 175.590 175.328 0.075 0.000 0.966 413 H CA -0.165 55.928 56.048 0.074 0.000 1.165 413 H CB 0.454 30.252 29.762 0.061 0.000 1.433 413 H HN 0.038 nan 8.280 nan 0.000 0.544 414 I N 3.302 123.684 120.570 -0.313 0.000 2.304 414 I HA 0.192 4.369 4.170 0.012 0.000 0.291 414 I C -0.116 175.921 176.117 -0.134 0.000 1.018 414 I CA -0.164 61.011 61.300 -0.210 0.000 1.260 414 I CB 1.173 39.060 38.000 -0.188 0.000 1.390 414 I HN -0.005 nan 8.210 nan 0.000 0.475 415 T N 6.446 120.921 114.554 -0.131 0.000 2.807 415 T HA 0.629 4.986 4.350 0.012 0.000 0.279 415 T C 0.008 174.488 174.700 -0.366 0.000 0.993 415 T CA -0.558 61.413 62.100 -0.214 0.000 0.970 415 T CB 2.164 70.974 68.868 -0.098 0.000 0.950 415 T HN 0.458 nan 8.240 nan 0.000 0.441 416 V N 1.640 121.185 119.914 -0.615 0.000 3.001 416 V HA 0.784 4.912 4.120 0.012 0.000 0.314 416 V C -1.037 174.521 176.094 -0.895 0.000 1.099 416 V CA -1.253 60.617 62.300 -0.715 0.000 0.989 416 V CB 1.645 33.038 31.823 -0.717 0.000 1.040 416 V HN 0.784 nan 8.190 nan 0.000 0.434 417 L N 2.861 123.505 121.223 -0.965 0.000 2.325 417 L HA 0.713 5.061 4.340 0.012 0.000 0.278 417 L C 0.091 176.445 176.870 -0.860 0.000 1.023 417 L CA -0.571 53.683 54.840 -0.977 0.000 0.811 417 L CB 1.723 43.016 42.059 -1.277 0.000 1.249 417 L HN 0.795 nan 8.230 nan 0.000 0.431 418 R N 2.013 122.269 120.500 -0.406 0.000 2.561 418 R HA 0.685 5.032 4.340 0.012 0.000 0.297 418 R C -1.844 174.376 176.300 -0.134 0.000 0.969 418 R CA -0.548 55.446 56.100 -0.176 0.000 0.879 418 R CB 2.095 32.437 30.300 0.071 0.000 1.178 418 R HN 0.410 nan 8.270 nan 0.000 0.445 419 V N 5.275 125.126 119.914 -0.104 0.000 2.376 419 V HA 0.276 4.403 4.120 0.012 0.000 0.287 419 V C -0.267 175.682 176.094 -0.242 0.000 1.015 419 V CA -0.807 61.389 62.300 -0.173 0.000 0.834 419 V CB 1.731 33.457 31.823 -0.162 0.000 1.001 419 V HN 0.511 nan 8.190 nan 0.000 0.428 420 V N 6.100 125.814 119.914 -0.332 0.000 2.461 420 V HA 0.360 4.487 4.120 0.012 0.000 0.275 420 V C 0.174 176.052 176.094 -0.360 0.000 1.047 420 V CA -0.397 61.679 62.300 -0.374 0.000 0.955 420 V CB 1.378 32.822 31.823 -0.632 0.000 0.988 420 V HN 0.561 nan 8.190 nan 0.000 0.471 421 I N 6.134 126.572 120.570 -0.219 0.000 2.297 421 I HA 0.455 4.632 4.170 0.012 0.000 0.291 421 I C 0.603 176.739 176.117 0.033 0.000 1.033 421 I CA 0.056 61.236 61.300 -0.200 0.000 1.253 421 I CB 0.499 38.461 38.000 -0.064 0.000 1.396 421 I HN 0.640 nan 8.210 nan 0.000 0.476 422 R N 3.508 124.005 120.500 -0.006 0.000 2.705 422 R HA 0.278 4.625 4.340 0.012 0.000 0.246 422 R C 1.231 177.598 176.300 0.112 0.000 1.142 422 R CA -0.795 55.318 56.100 0.022 0.000 1.114 422 R CB 1.355 31.616 30.300 -0.065 0.000 1.256 422 R HN 0.543 nan 8.270 nan 0.000 0.536 423 E N 1.081 121.323 120.200 0.070 0.000 2.085 423 E HA -0.219 4.139 4.350 0.012 0.000 0.194 423 E C 0.223 176.828 176.600 0.008 0.000 0.994 423 E CA 1.856 58.292 56.400 0.059 0.000 0.801 423 E CB 0.029 29.758 29.700 0.048 0.000 0.743 423 E HN 0.564 nan 8.360 nan 0.000 0.453 424 D N -0.463 119.950 120.400 0.021 0.000 2.434 424 D HA -0.049 4.598 4.640 0.012 0.000 0.232 424 D C -0.544 175.772 176.300 0.027 0.000 1.166 424 D CA -0.345 53.600 54.000 -0.091 0.000 0.830 424 D CB -0.738 40.019 40.800 -0.072 0.000 0.960 424 D HN 0.070 nan 8.370 nan 0.000 0.497 425 F N 2.375 122.287 119.950 -0.064 0.000 2.307 425 F HA 0.313 4.847 4.527 0.011 0.000 0.369 425 F C 0.308 176.085 175.800 -0.039 0.000 1.076 425 F CA -1.035 56.950 58.000 -0.024 0.000 1.149 425 F CB 0.538 39.540 39.000 0.003 0.000 1.410 425 F HN -0.097 nan 8.300 nan 0.000 0.481 426 S N 3.710 119.196 115.700 -0.357 0.000 2.634 426 S HA 0.267 4.744 4.470 0.012 0.000 0.261 426 S C 1.343 175.717 174.600 -0.377 0.000 1.271 426 S CA -0.675 57.352 58.200 -0.289 0.000 0.985 426 S CB 1.341 64.402 63.200 -0.232 0.000 0.968 426 S HN 0.745 nan 8.310 nan 0.000 0.568 427 R N 0.488 120.860 120.500 -0.212 0.000 2.120 427 R HA -0.048 4.299 4.340 0.012 0.000 0.234 427 R C 2.073 178.260 176.300 -0.190 0.000 1.123 427 R CA 2.254 58.253 56.100 -0.169 0.000 0.975 427 R CB -1.581 28.660 30.300 -0.097 0.000 0.866 427 R HN 0.851 nan 8.270 nan 0.000 0.446 428 T N 0.901 115.345 114.554 -0.184 0.000 2.684 428 T HA -0.129 4.228 4.350 0.012 0.000 0.267 428 T C 1.421 176.031 174.700 -0.150 0.000 1.036 428 T CA 1.363 63.380 62.100 -0.137 0.000 1.148 428 T CB -0.200 68.601 68.868 -0.112 0.000 0.863 428 T HN 0.049 nan 8.240 nan 0.000 0.436 429 L N 1.102 122.157 121.223 -0.280 0.000 2.056 429 L HA 0.161 4.509 4.340 0.012 0.000 0.207 429 L C 2.835 179.512 176.870 -0.321 0.000 1.078 429 L CA 1.323 56.015 54.840 -0.246 0.000 0.749 429 L CB -1.462 40.309 42.059 -0.479 0.000 0.901 429 L HN 0.248 nan 8.230 nan 0.000 0.433 430 A N -0.686 121.809 122.820 -0.541 0.000 1.883 430 A HA -0.242 4.085 4.320 0.012 0.000 0.217 430 A C 2.251 179.780 177.584 -0.092 0.000 1.186 430 A CA 1.880 53.837 52.037 -0.133 0.000 0.624 430 A CB -0.509 18.481 19.000 -0.018 0.000 0.822 430 A HN 0.508 nan 8.150 nan 0.000 0.444 431 E N -0.805 119.334 120.200 -0.102 0.000 2.152 431 E HA -0.129 4.228 4.350 0.012 0.000 0.192 431 E C 2.297 178.863 176.600 -0.057 0.000 0.983 431 E CA 0.726 57.082 56.400 -0.074 0.000 0.818 431 E CB -0.137 29.527 29.700 -0.060 0.000 0.758 431 E HN 0.519 nan 8.360 nan 0.000 0.467 432 R N 0.505 120.995 120.500 -0.016 0.000 2.148 432 R HA -0.028 4.319 4.340 0.012 0.000 0.227 432 R C 2.448 178.751 176.300 0.005 0.000 1.103 432 R CA 0.491 56.633 56.100 0.070 0.000 0.983 432 R CB -0.175 30.259 30.300 0.222 0.000 0.874 432 R HN 0.218 nan 8.270 nan 0.000 0.451 433 L N 0.725 121.820 121.223 -0.213 0.000 2.027 433 L HA -0.152 4.195 4.340 0.012 0.000 0.206 433 L C 2.139 178.784 176.870 -0.374 0.000 1.074 433 L CA 1.291 55.764 54.840 -0.612 0.000 0.745 433 L CB -0.171 41.456 42.059 -0.720 0.000 0.898 433 L HN 0.026 nan 8.230 nan 0.000 0.433 434 V N 0.521 120.292 119.914 -0.237 0.000 2.287 434 V HA -0.348 3.779 4.120 0.012 0.000 0.248 434 V C 2.415 178.425 176.094 -0.141 0.000 1.053 434 V CA 2.078 64.267 62.300 -0.185 0.000 1.027 434 V CB -0.408 31.334 31.823 -0.135 0.000 0.646 434 V HN 0.366 nan 8.190 nan 0.000 0.447 435 I N 0.266 120.771 120.570 -0.108 0.000 2.163 435 I HA -0.253 3.924 4.170 0.012 0.000 0.243 435 I C 2.212 178.262 176.117 -0.110 0.000 1.085 435 I CA 1.758 63.012 61.300 -0.077 0.000 1.347 435 I CB -0.501 37.476 38.000 -0.039 0.000 1.044 435 I HN 0.317 nan 8.210 nan 0.000 0.408 436 D N 0.614 120.918 120.400 -0.161 0.000 2.224 436 D HA -0.062 4.586 4.640 0.012 0.000 0.205 436 D C 2.226 178.356 176.300 -0.282 0.000 0.965 436 D CA 1.056 54.873 54.000 -0.304 0.000 0.852 436 D CB -0.052 40.569 40.800 -0.297 0.000 0.947 436 D HN 0.357 nan 8.370 nan 0.000 0.494 437 I N 0.827 121.273 120.570 -0.207 0.000 2.353 437 I HA -0.191 3.986 4.170 0.012 0.000 0.248 437 I C 2.088 178.186 176.117 -0.032 0.000 1.119 437 I CA 0.958 62.187 61.300 -0.118 0.000 1.417 437 I CB -0.086 37.828 38.000 -0.144 0.000 1.078 437 I HN -0.034 nan 8.210 nan 0.000 0.421 438 E N 0.978 121.151 120.200 -0.045 0.000 2.077 438 E HA -0.220 4.137 4.350 0.012 0.000 0.193 438 E C 2.128 178.718 176.600 -0.016 0.000 0.989 438 E CA 1.065 57.457 56.400 -0.013 0.000 0.800 438 E CB -0.002 29.683 29.700 -0.024 0.000 0.746 438 E HN 0.406 nan 8.360 nan 0.000 0.452 439 K N 0.483 120.858 120.400 -0.041 0.000 2.063 439 K HA -0.134 4.193 4.320 0.012 0.000 0.208 439 K C 2.174 178.787 176.600 0.022 0.000 1.048 439 K CA 1.151 57.432 56.287 -0.010 0.000 0.928 439 K CB -0.133 32.351 32.500 -0.027 0.000 0.713 439 K HN -0.006 nan 8.250 nan 0.000 0.442 440 V N 1.406 121.323 119.914 0.005 0.000 2.407 440 V HA -0.240 3.887 4.120 0.012 0.000 0.248 440 V C 2.240 178.347 176.094 0.021 0.000 1.055 440 V CA 1.383 63.715 62.300 0.053 0.000 1.049 440 V CB -0.320 31.540 31.823 0.062 0.000 0.662 440 V HN 0.345 nan 8.190 nan 0.000 0.455 441 M N -0.691 118.919 119.600 0.017 0.000 2.175 441 M HA -0.095 4.393 4.480 0.012 0.000 0.264 441 M C 2.235 178.513 176.300 -0.037 0.000 1.063 441 M CA 1.546 56.839 55.300 -0.012 0.000 1.119 441 M CB -1.258 31.344 32.600 0.004 0.000 1.377 441 M HN 0.287 nan 8.290 nan 0.000 0.415 442 R N 0.283 120.775 120.500 -0.012 0.000 2.066 442 R HA -0.110 4.237 4.340 0.012 0.000 0.232 442 R C 2.062 178.359 176.300 -0.006 0.000 1.131 442 R CA 1.265 57.361 56.100 -0.006 0.000 0.955 442 R CB -0.329 29.976 30.300 0.008 0.000 0.851 442 R HN 0.501 nan 8.270 nan 0.000 0.432 443 E N 0.623 120.828 120.200 0.009 0.000 2.219 443 E HA -0.203 4.154 4.350 0.012 0.000 0.198 443 E C 1.878 178.461 176.600 -0.028 0.000 0.998 443 E CA 0.965 57.374 56.400 0.015 0.000 0.818 443 E CB -0.060 29.671 29.700 0.051 0.000 0.741 443 E HN 0.341 nan 8.360 nan 0.000 0.477 444 L N 0.604 121.763 121.223 -0.107 0.000 2.209 444 L HA -0.083 4.265 4.340 0.012 0.000 0.207 444 L C 1.502 178.274 176.870 -0.163 0.000 1.094 444 L CA 0.434 55.090 54.840 -0.305 0.000 0.790 444 L CB -0.029 41.659 42.059 -0.618 0.000 0.932 444 L HN -0.017 nan 8.230 nan 0.000 0.447 445 D N 0.381 120.750 120.400 -0.052 0.000 2.351 445 D HA -0.129 4.518 4.640 0.012 0.000 0.216 445 D C 0.787 177.127 176.300 0.067 0.000 0.968 445 D CA 0.965 54.990 54.000 0.043 0.000 0.899 445 D CB 0.074 40.885 40.800 0.018 0.000 0.907 445 D HN 0.253 nan 8.370 nan 0.000 0.514 446 E N -0.251 119.980 120.200 0.051 0.000 2.815 446 E HA 0.331 4.688 4.350 0.012 0.000 0.211 446 E C -0.387 176.256 176.600 0.071 0.000 1.004 446 E CA -0.076 56.357 56.400 0.054 0.000 1.173 446 E CB 0.548 30.270 29.700 0.036 0.000 1.163 446 E HN 0.111 nan 8.360 nan 0.000 0.449 447 L N -0.024 121.271 121.223 0.120 0.000 2.376 447 L HA 0.593 4.940 4.340 0.012 0.000 0.258 447 L C -1.873 175.086 176.870 0.147 0.000 1.013 447 L CA -2.341 52.582 54.840 0.139 0.000 0.822 447 L CB 1.201 43.361 42.059 0.169 0.000 1.388 447 L HN 0.024 nan 8.230 nan 0.000 0.413 448 P HA 0.000 nan 4.420 nan 0.000 0.216 448 P CA 0.000 63.125 63.100 0.042 0.000 0.800 448 P CB 0.000 31.721 31.700 0.035 0.000 0.726