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 3q7i_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAMLFCDDSK KYLKEQNINL KNEFDKDDKR VEKFSLKHQN IYFDYSKNLI DATA SEQUENCE NDYILKSLLE SAEKSSLKDK IKQMFNGAKI NSTEHRAVLH TALRDLSSTP DATA SEQUENCE LIVDGQDIRQ EVTKEKQRVK ELVEKVVSGR WRGFSGKKIT DIVNIGIGGS DATA SEQUENCE DLGPKMVVRA LQPYHCTDLK VHFVSNVDAD SLLQALHVVD PETTLLIIAS DATA SEQUENCE KSFSTEETLL NSISAREWLL DHYEDEKAVA NHFVAISSKL DKVKEFGIDL DATA SEQUENCE EHCYKMWDWV GGRYSLWSSI GMSIAFAIGY DNFEKLLAGA YSVDKHFKET DATA SEQUENCE EFSKNIPVIM ALLASYYSCT YNSQSQALLP YDERLCYFVD YLQQADMESN DATA SEQUENCE GKSVNIAGET VNYQTGVVLW GGVGTNGQHA FHQLLHQGNI FIPVDFIAIA DATA SEQUENCE TSHHNYDNHQ QALLANCFAQ SQALMFGQSY DMVYNELLKS GLNETQAKEL DATA SEQUENCE AAHKVIPGNR PSTTILLDEL SPYSLGALIA LYEHKIFVQG VLWDINSYDQ DATA SEQUENCE WGVELGKKLG KNILKAMNDD SSDEYQNLDD STRQLIAKVK N 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 -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.543 175.510 0.054 0.000 1.280 -1 N CA 0.000 53.081 53.050 0.051 0.000 0.885 -1 N CB 0.000 38.511 38.487 0.040 0.000 1.341 0 A N 0.905 123.767 122.820 0.069 0.000 2.425 0 A HA 0.278 4.598 4.320 0.001 0.000 0.242 0 A C 0.682 178.304 177.584 0.064 0.000 1.077 0 A CA -0.055 52.024 52.037 0.070 0.000 0.781 0 A CB 0.228 19.282 19.000 0.090 0.000 1.020 0 A HN 0.454 nan 8.150 nan 0.000 0.494 1 M N 1.585 121.215 119.600 0.051 0.000 2.248 1 M HA 0.096 4.576 4.480 0.001 0.000 0.343 1 M C -0.682 175.648 176.300 0.049 0.000 1.243 1 M CA 0.002 55.327 55.300 0.042 0.000 1.025 1 M CB -0.033 32.588 32.600 0.035 0.000 1.759 1 M HN 0.646 nan 8.290 nan 0.000 0.452 2 L N 6.567 127.806 121.223 0.027 0.000 2.278 2 L HA 0.179 4.519 4.340 0.001 0.000 0.287 2 L C -0.158 176.697 176.870 -0.026 0.000 1.072 2 L CA 0.378 55.215 54.840 -0.005 0.000 0.819 2 L CB 0.556 42.613 42.059 -0.004 0.000 1.176 2 L HN 0.809 nan 8.230 nan 0.000 0.435 3 F N 4.426 124.282 119.950 -0.155 0.000 2.118 3 F HA 0.011 4.539 4.527 0.001 0.000 0.293 3 F C 1.385 177.135 175.800 -0.084 0.000 1.102 3 F CA 0.754 58.684 58.000 -0.117 0.000 1.247 3 F CB 0.187 39.112 39.000 -0.124 0.000 1.017 3 F HN 0.436 nan 8.300 nan 0.000 0.475 4 C N 3.748 122.983 119.300 -0.109 0.000 2.518 4 C HA 0.233 4.693 4.460 0.001 0.000 0.456 4 C C -0.143 174.788 174.990 -0.097 0.000 1.016 4 C CA -0.963 57.998 59.018 -0.095 0.000 1.210 4 C CB -2.679 25.092 27.740 0.053 0.000 1.542 4 C HN 0.419 nan 8.230 nan 0.000 0.545 5 D N -0.342 119.968 120.400 -0.151 0.000 2.592 5 D HA 0.224 4.864 4.640 0.001 0.000 0.259 5 D C 0.499 176.769 176.300 -0.049 0.000 1.144 5 D CA -0.662 53.289 54.000 -0.082 0.000 1.080 5 D CB 0.375 41.116 40.800 -0.099 0.000 1.225 5 D HN -0.011 nan 8.370 nan 0.000 0.619 6 D N -0.568 119.810 120.400 -0.036 0.000 2.149 6 D HA -0.184 4.457 4.640 0.001 0.000 0.198 6 D C 1.862 178.148 176.300 -0.023 0.000 0.990 6 D CA 1.873 55.861 54.000 -0.019 0.000 0.839 6 D CB -0.447 40.285 40.800 -0.113 0.000 0.948 6 D HN 0.392 nan 8.370 nan 0.000 0.460 7 S N 0.147 115.798 115.700 -0.082 0.000 2.374 7 S HA -0.209 4.261 4.470 0.001 0.000 0.227 7 S C 1.807 176.398 174.600 -0.015 0.000 1.037 7 S CA 1.193 59.350 58.200 -0.072 0.000 1.024 7 S CB -0.006 63.131 63.200 -0.104 0.000 0.861 7 S HN 0.012 nan 8.310 nan 0.000 0.456 8 K N 1.323 121.688 120.400 -0.058 0.000 2.025 8 K HA 0.057 4.378 4.320 0.001 0.000 0.207 8 K C 2.252 178.901 176.600 0.081 0.000 1.049 8 K CA 1.012 57.285 56.287 -0.025 0.000 0.933 8 K CB -0.577 31.840 32.500 -0.139 0.000 0.714 8 K HN 0.359 nan 8.250 nan 0.000 0.438 9 K N 0.366 120.815 120.400 0.082 0.000 2.127 9 K HA -0.168 4.153 4.320 0.001 0.000 0.208 9 K C 2.292 178.913 176.600 0.035 0.000 1.047 9 K CA 1.512 57.832 56.287 0.055 0.000 0.927 9 K CB -0.433 32.133 32.500 0.111 0.000 0.716 9 K HN 0.382 nan 8.250 nan 0.000 0.450 10 Y N 0.500 120.780 120.300 -0.034 0.000 2.490 10 Y HA 0.073 4.624 4.550 0.001 0.000 0.285 10 Y C 2.176 178.100 175.900 0.039 0.000 1.117 10 Y CA -0.157 57.940 58.100 -0.006 0.000 1.262 10 Y CB -0.104 38.360 38.460 0.008 0.000 1.043 10 Y HN -0.112 nan 8.280 nan 0.000 0.553 11 L N 0.556 121.888 121.223 0.182 0.000 2.137 11 L HA -0.331 4.010 4.340 0.001 0.000 0.213 11 L C 2.438 179.422 176.870 0.190 0.000 1.085 11 L CA 1.615 56.548 54.840 0.155 0.000 0.760 11 L CB -0.439 41.653 42.059 0.055 0.000 0.893 11 L HN 0.220 nan 8.230 nan 0.000 0.434 12 K N 0.604 121.075 120.400 0.118 0.000 2.209 12 K HA -0.199 4.122 4.320 0.001 0.000 0.204 12 K C 1.731 178.339 176.600 0.014 0.000 1.048 12 K CA 1.273 57.562 56.287 0.003 0.000 0.940 12 K CB 0.040 32.341 32.500 -0.331 0.000 0.729 12 K HN 0.371 nan 8.250 nan 0.000 0.451 13 E N 0.237 120.444 120.200 0.012 0.000 2.472 13 E HA -0.147 4.204 4.350 0.001 0.000 0.200 13 E C 1.678 178.325 176.600 0.079 0.000 1.046 13 E CA 0.295 56.708 56.400 0.021 0.000 0.871 13 E CB 0.163 29.874 29.700 0.019 0.000 0.806 13 E HN 0.336 nan 8.360 nan 0.000 0.533 14 Q N 0.618 120.497 119.800 0.132 0.000 2.297 14 Q HA -0.160 4.180 4.340 0.001 0.000 0.208 14 Q C 0.490 176.558 176.000 0.114 0.000 0.981 14 Q CA 0.541 56.427 55.803 0.138 0.000 0.876 14 Q CB -0.407 28.449 28.738 0.196 0.000 0.921 14 Q HN 0.228 nan 8.270 nan 0.000 0.446 15 N N 0.525 119.294 118.700 0.114 0.000 2.688 15 N HA -0.175 4.566 4.740 0.001 0.000 0.258 15 N C -0.898 174.688 175.510 0.128 0.000 1.016 15 N CA 0.142 53.260 53.050 0.113 0.000 0.747 15 N CB -0.926 37.608 38.487 0.079 0.000 0.895 15 N HN 0.146 nan 8.380 nan 0.000 0.543 16 I N 0.613 121.279 120.570 0.159 0.000 2.741 16 I HA -0.054 4.117 4.170 0.001 0.000 0.288 16 I C 1.059 177.260 176.117 0.139 0.000 1.192 16 I CA 0.599 61.986 61.300 0.146 0.000 1.426 16 I CB 0.055 38.153 38.000 0.163 0.000 1.367 16 I HN 0.405 nan 8.210 nan 0.000 0.563 17 N N 7.143 125.914 118.700 0.118 0.000 2.476 17 N HA 0.229 4.970 4.740 0.001 0.000 0.257 17 N C 0.716 176.298 175.510 0.121 0.000 0.970 17 N CA -0.433 52.687 53.050 0.116 0.000 0.938 17 N CB 1.423 39.975 38.487 0.110 0.000 1.144 17 N HN 0.493 nan 8.380 nan 0.000 0.500 18 L N 3.236 124.527 121.223 0.113 0.000 2.046 18 L HA -0.140 4.201 4.340 0.001 0.000 0.208 18 L C 2.467 179.460 176.870 0.205 0.000 1.077 18 L CA 1.169 56.096 54.840 0.146 0.000 0.747 18 L CB -0.226 41.875 42.059 0.070 0.000 0.896 18 L HN 0.574 nan 8.230 nan 0.000 0.432 19 K N 0.375 120.847 120.400 0.120 0.000 2.032 19 K HA -0.224 4.096 4.320 0.001 0.000 0.209 19 K C 1.940 178.704 176.600 0.273 0.000 1.048 19 K CA 1.910 58.352 56.287 0.258 0.000 0.927 19 K CB -0.011 32.702 32.500 0.355 0.000 0.712 19 K HN 0.225 nan 8.250 nan 0.000 0.441 20 N N 0.866 119.682 118.700 0.194 0.000 2.120 20 N HA -0.133 4.608 4.740 0.001 0.000 0.188 20 N C 1.562 177.155 175.510 0.138 0.000 1.024 20 N CA 1.145 54.286 53.050 0.151 0.000 0.852 20 N CB -0.192 38.364 38.487 0.115 0.000 1.003 20 N HN 0.276 nan 8.380 nan 0.000 0.424 21 E N 0.119 120.395 120.200 0.128 0.000 2.077 21 E HA -0.098 4.253 4.350 0.001 0.000 0.193 21 E C 1.866 178.471 176.600 0.008 0.000 0.989 21 E CA 0.752 57.180 56.400 0.046 0.000 0.800 21 E CB -0.444 29.247 29.700 -0.016 0.000 0.746 21 E HN 0.395 nan 8.360 nan 0.000 0.452 22 F N 1.164 121.160 119.950 0.076 0.000 2.234 22 F HA -0.126 4.402 4.527 0.001 0.000 0.299 22 F C 2.227 178.080 175.800 0.088 0.000 1.087 22 F CA 1.252 59.301 58.000 0.081 0.000 1.340 22 F CB -0.134 38.920 39.000 0.091 0.000 1.031 22 F HN 0.015 nan 8.300 nan 0.000 0.500 23 D N -0.120 120.438 120.400 0.262 0.000 2.144 23 D HA -0.133 4.507 4.640 0.001 0.000 0.200 23 D C 1.967 178.333 176.300 0.111 0.000 0.978 23 D CA 1.205 55.310 54.000 0.174 0.000 0.833 23 D CB 0.157 41.050 40.800 0.155 0.000 0.961 23 D HN -0.155 nan 8.370 nan 0.000 0.470 24 K N -0.084 120.369 120.400 0.088 0.000 2.284 24 K HA 0.135 4.456 4.320 0.001 0.000 0.198 24 K C -0.187 176.429 176.600 0.028 0.000 1.048 24 K CA 0.300 56.619 56.287 0.053 0.000 0.987 24 K CB 0.166 32.694 32.500 0.048 0.000 0.800 24 K HN 0.096 nan 8.250 nan 0.000 0.486 25 D N 1.132 121.539 120.400 0.011 0.000 2.464 25 D HA 0.030 4.670 4.640 0.001 0.000 0.243 25 D C -0.156 176.125 176.300 -0.033 0.000 1.104 25 D CA -0.380 53.604 54.000 -0.026 0.000 0.883 25 D CB 0.800 41.566 40.800 -0.057 0.000 1.050 25 D HN -0.000 nan 8.370 nan 0.000 0.524 26 D N 2.491 122.883 120.400 -0.013 0.000 2.378 26 D HA -0.107 4.534 4.640 0.001 0.000 0.227 26 D C 0.481 176.763 176.300 -0.030 0.000 1.012 26 D CA 0.593 54.592 54.000 -0.001 0.000 0.905 26 D CB 0.093 40.899 40.800 0.010 0.000 0.895 26 D HN 0.343 nan 8.370 nan 0.000 0.532 27 K N -0.142 120.214 120.400 -0.073 0.000 2.399 27 K HA 0.195 4.516 4.320 0.001 0.000 0.204 27 K C 1.626 178.108 176.600 -0.196 0.000 1.023 27 K CA -0.384 55.835 56.287 -0.113 0.000 1.127 27 K CB 0.736 33.165 32.500 -0.119 0.000 0.856 27 K HN -0.008 nan 8.250 nan 0.000 0.514 28 R N 1.040 121.421 120.500 -0.198 0.000 2.083 28 R HA -0.127 4.213 4.340 0.001 0.000 0.237 28 R C 1.791 177.943 176.300 -0.247 0.000 1.137 28 R CA 1.452 57.377 56.100 -0.292 0.000 0.951 28 R CB -0.175 29.832 30.300 -0.487 0.000 0.851 28 R HN -0.030 nan 8.270 nan 0.000 0.434 29 V N 0.955 120.806 119.914 -0.104 0.000 2.358 29 V HA -0.205 3.916 4.120 0.001 0.000 0.246 29 V C 2.301 178.355 176.094 -0.067 0.000 1.047 29 V CA 2.135 64.429 62.300 -0.011 0.000 1.035 29 V CB -0.579 31.314 31.823 0.116 0.000 0.658 29 V HN 0.481 nan 8.190 nan 0.000 0.452 30 E N 0.366 120.514 120.200 -0.087 0.000 2.085 30 E HA -0.274 4.077 4.350 0.001 0.000 0.194 30 E C 2.248 178.742 176.600 -0.177 0.000 0.994 30 E CA 1.510 57.861 56.400 -0.082 0.000 0.801 30 E CB -0.025 29.632 29.700 -0.073 0.000 0.743 30 E HN 0.580 nan 8.360 nan 0.000 0.453 31 K N -0.702 119.465 120.400 -0.387 0.000 2.097 31 K HA -0.097 4.224 4.320 0.001 0.000 0.205 31 K C 0.494 176.706 176.600 -0.647 0.000 1.050 31 K CA 0.898 56.787 56.287 -0.664 0.000 0.938 31 K CB 0.078 31.824 32.500 -1.256 0.000 0.718 31 K HN 0.112 nan 8.250 nan 0.000 0.442 32 F N 0.648 120.408 119.950 -0.317 0.000 2.928 32 F HA 0.232 4.759 4.527 0.001 0.000 0.337 32 F C -0.173 175.088 175.800 -0.899 0.000 1.259 32 F CA -0.907 56.563 58.000 -0.884 0.000 1.267 32 F CB 0.290 38.776 39.000 -0.857 0.000 0.986 32 F HN -0.194 nan 8.300 nan 0.000 0.507 33 S N -0.187 115.404 115.700 -0.182 0.000 2.579 33 S HA 0.929 5.400 4.470 0.001 0.000 0.272 33 S C -1.230 173.519 174.600 0.247 0.000 1.141 33 S CA -0.735 57.466 58.200 0.002 0.000 0.843 33 S CB 2.445 65.614 63.200 -0.053 0.000 1.122 33 S HN 0.117 nan 8.310 nan 0.000 0.468 34 L N 0.570 121.992 121.223 0.332 0.000 2.415 34 L HA 0.667 5.008 4.340 0.001 0.000 0.256 34 L C -0.872 176.198 176.870 0.334 0.000 1.010 34 L CA -0.832 54.219 54.840 0.352 0.000 0.826 34 L CB 2.545 44.845 42.059 0.402 0.000 1.405 34 L HN 0.701 nan 8.230 nan 0.000 0.410 35 K N 0.125 120.699 120.400 0.290 0.000 2.371 35 K HA 0.540 4.860 4.320 0.001 0.000 0.251 35 K C -1.543 175.185 176.600 0.213 0.000 0.934 35 K CA -0.938 55.511 56.287 0.270 0.000 0.798 35 K CB 2.390 35.031 32.500 0.235 0.000 1.204 35 K HN 0.498 nan 8.250 nan 0.000 0.427 36 H N 2.734 121.834 119.070 0.051 0.000 2.970 36 H HA 0.162 4.719 4.556 0.001 0.000 0.315 36 H C -0.185 175.169 175.328 0.043 0.000 0.992 36 H CA 0.070 56.096 56.048 -0.037 0.000 1.363 36 H CB 0.389 29.986 29.762 -0.276 0.000 1.532 36 H HN 0.760 nan 8.280 nan 0.000 0.514 37 Q N 2.181 121.778 119.800 -0.339 0.000 1.918 37 Q HA -0.354 3.987 4.340 0.001 0.000 0.390 37 Q C -0.017 175.937 176.000 -0.075 0.000 0.761 37 Q CA 1.900 57.554 55.803 -0.248 0.000 0.885 37 Q CB -0.991 27.520 28.738 -0.378 0.000 3.219 37 Q HN 0.723 nan 8.270 nan 0.000 0.778 38 N N 0.703 119.384 118.700 -0.033 0.000 2.279 38 N HA 0.305 5.045 4.740 0.001 0.000 0.226 38 N C -0.562 175.009 175.510 0.103 0.000 1.126 38 N CA 0.327 53.402 53.050 0.040 0.000 0.846 38 N CB 0.233 38.742 38.487 0.038 0.000 1.050 38 N HN 0.232 nan 8.380 nan 0.000 0.502 39 I N 0.953 121.597 120.570 0.123 0.000 2.336 39 I HA 0.157 4.328 4.170 0.001 0.000 0.292 39 I C -0.725 175.560 176.117 0.281 0.000 0.991 39 I CA -0.941 60.480 61.300 0.202 0.000 1.227 39 I CB 1.023 39.145 38.000 0.203 0.000 1.366 39 I HN -0.024 nan 8.210 nan 0.000 0.466 40 Y N 7.793 128.189 120.300 0.160 0.000 2.331 40 Y HA 0.404 4.955 4.550 0.001 0.000 0.338 40 Y C -1.327 174.725 175.900 0.254 0.000 0.976 40 Y CA -1.212 56.992 58.100 0.174 0.000 1.137 40 Y CB 1.102 39.628 38.460 0.110 0.000 1.172 40 Y HN 0.410 nan 8.280 nan 0.000 0.478 41 F N 7.389 127.230 119.950 -0.180 0.000 2.308 41 F HA 0.333 4.860 4.527 0.001 0.000 0.370 41 F C -0.922 174.696 175.800 -0.304 0.000 1.100 41 F CA -0.843 57.066 58.000 -0.151 0.000 1.108 41 F CB 0.415 39.424 39.000 0.014 0.000 1.293 41 F HN 0.525 nan 8.300 nan 0.000 0.478 42 D N 5.566 125.526 120.400 -0.734 0.000 2.454 42 D HA 0.099 4.739 4.640 0.001 0.000 0.225 42 D C -0.164 175.869 176.300 -0.445 0.000 1.081 42 D CA -0.363 53.270 54.000 -0.612 0.000 0.864 42 D CB 0.265 40.755 40.800 -0.517 0.000 1.040 42 D HN 0.580 nan 8.370 nan 0.000 0.517 43 Y N 1.620 121.626 120.300 -0.490 0.000 2.571 43 Y HA 0.220 4.770 4.550 0.001 0.000 0.275 43 Y C 1.514 177.367 175.900 -0.079 0.000 1.179 43 Y CA -0.130 57.775 58.100 -0.325 0.000 1.242 43 Y CB -0.206 38.045 38.460 -0.349 0.000 1.126 43 Y HN 0.209 nan 8.280 nan 0.000 0.524 44 S N 0.256 115.864 115.700 -0.154 0.000 2.481 44 S HA -0.070 4.401 4.470 0.001 0.000 0.231 44 S C 1.224 175.921 174.600 0.162 0.000 0.996 44 S CA 0.391 58.581 58.200 -0.018 0.000 0.942 44 S CB -0.293 62.974 63.200 0.111 0.000 0.768 44 S HN 0.563 nan 8.310 nan 0.000 0.520 45 K N 1.232 121.728 120.400 0.160 0.000 2.476 45 K HA 0.221 4.542 4.320 0.001 0.000 0.196 45 K C -0.417 176.252 176.600 0.115 0.000 1.025 45 K CA -0.150 56.232 56.287 0.159 0.000 1.138 45 K CB -0.216 32.307 32.500 0.039 0.000 0.860 45 K HN 0.446 nan 8.250 nan 0.000 0.515 46 N N 0.639 119.406 118.700 0.111 0.000 2.493 46 N HA 0.162 4.903 4.740 0.001 0.000 0.275 46 N C -0.361 175.242 175.510 0.154 0.000 1.186 46 N CA -0.383 52.780 53.050 0.188 0.000 0.978 46 N CB 0.870 39.499 38.487 0.237 0.000 1.184 46 N HN -0.031 nan 8.380 nan 0.000 0.487 47 L N 2.752 124.156 121.223 0.301 0.000 2.533 47 L HA 0.263 4.603 4.340 0.001 0.000 0.239 47 L C -0.335 176.661 176.870 0.211 0.000 1.376 47 L CA 0.053 55.063 54.840 0.284 0.000 1.240 47 L CB -1.364 40.940 42.059 0.408 0.000 1.487 47 L HN 0.418 nan 8.230 nan 0.000 0.419 48 I N -2.016 118.555 120.570 0.001 0.000 2.969 48 I HA 0.693 4.864 4.170 0.001 0.000 0.307 48 I C -0.875 175.107 176.117 -0.225 0.000 1.149 48 I CA -0.869 60.337 61.300 -0.157 0.000 1.008 48 I CB 2.288 40.094 38.000 -0.324 0.000 1.232 48 I HN 0.130 nan 8.210 nan 0.000 0.435 49 N N 0.790 119.413 118.700 -0.128 0.000 3.229 49 N HA 0.347 5.087 4.740 0.001 0.000 0.315 49 N C -0.118 175.498 175.510 0.176 0.000 1.520 49 N CA -0.608 52.463 53.050 0.035 0.000 0.769 49 N CB 0.128 38.685 38.487 0.117 0.000 1.766 49 N HN 0.594 nan 8.380 nan 0.000 0.618 50 D N -0.772 119.827 120.400 0.332 0.000 2.123 50 D HA -0.165 4.475 4.640 0.001 0.000 0.196 50 D C 1.331 177.762 176.300 0.217 0.000 0.992 50 D CA 1.502 55.682 54.000 0.300 0.000 0.833 50 D CB -0.375 40.547 40.800 0.204 0.000 0.954 50 D HN 0.554 nan 8.370 nan 0.000 0.455 51 Y N 1.332 121.666 120.300 0.056 0.000 2.181 51 Y HA -0.117 4.433 4.550 0.001 0.000 0.288 51 Y C 2.146 178.035 175.900 -0.018 0.000 1.146 51 Y CA 1.033 59.145 58.100 0.020 0.000 1.164 51 Y CB -0.428 38.043 38.460 0.018 0.000 0.982 51 Y HN -0.087 nan 8.280 nan 0.000 0.515 52 I N -0.775 119.717 120.570 -0.129 0.000 2.252 52 I HA -0.243 3.928 4.170 0.001 0.000 0.245 52 I C 2.236 178.168 176.117 -0.308 0.000 1.102 52 I CA 1.043 62.134 61.300 -0.347 0.000 1.385 52 I CB -0.407 37.427 38.000 -0.275 0.000 1.064 52 I HN 0.271 nan 8.210 nan 0.000 0.414 53 L N 0.821 121.959 121.223 -0.142 0.000 2.093 53 L HA -0.161 4.179 4.340 0.001 0.000 0.208 53 L C 2.251 179.095 176.870 -0.043 0.000 1.085 53 L CA 1.911 56.712 54.840 -0.065 0.000 0.755 53 L CB -0.555 41.578 42.059 0.125 0.000 0.904 53 L HN -0.037 nan 8.230 nan 0.000 0.435 54 K N -0.514 119.873 120.400 -0.021 0.000 2.148 54 K HA 0.012 4.332 4.320 0.001 0.000 0.204 54 K C 2.191 178.740 176.600 -0.084 0.000 1.050 54 K CA 1.391 57.671 56.287 -0.012 0.000 0.942 54 K CB -0.502 32.023 32.500 0.041 0.000 0.724 54 K HN 0.371 nan 8.250 nan 0.000 0.446 55 S N 0.828 116.404 115.700 -0.206 0.000 2.368 55 S HA -0.048 4.422 4.470 0.001 0.000 0.224 55 S C 1.892 176.385 174.600 -0.178 0.000 1.029 55 S CA 0.963 59.018 58.200 -0.241 0.000 0.988 55 S CB -0.243 62.698 63.200 -0.432 0.000 0.838 55 S HN 0.168 nan 8.310 nan 0.000 0.462 56 L N 1.038 122.147 121.223 -0.189 0.000 2.017 56 L HA -0.086 4.255 4.340 0.001 0.000 0.208 56 L C 2.287 179.141 176.870 -0.027 0.000 1.073 56 L CA 1.090 55.868 54.840 -0.103 0.000 0.745 56 L CB -0.675 41.301 42.059 -0.138 0.000 0.894 56 L HN 0.265 nan 8.230 nan 0.000 0.432 57 L N -0.441 120.769 121.223 -0.022 0.000 2.083 57 L HA -0.218 4.122 4.340 0.001 0.000 0.209 57 L C 2.536 179.438 176.870 0.054 0.000 1.083 57 L CA 1.245 56.105 54.840 0.035 0.000 0.752 57 L CB -0.533 41.564 42.059 0.063 0.000 0.899 57 L HN 0.290 nan 8.230 nan 0.000 0.433 58 E N -0.098 120.110 120.200 0.014 0.000 2.085 58 E HA -0.231 4.120 4.350 0.001 0.000 0.194 58 E C 2.334 178.946 176.600 0.019 0.000 0.994 58 E CA 1.662 58.070 56.400 0.013 0.000 0.801 58 E CB -0.100 29.589 29.700 -0.019 0.000 0.743 58 E HN 0.587 nan 8.360 nan 0.000 0.453 59 S N 1.033 116.737 115.700 0.007 0.000 2.368 59 S HA -0.150 4.320 4.470 0.001 0.000 0.225 59 S C 2.275 176.911 174.600 0.060 0.000 1.030 59 S CA 0.986 59.207 58.200 0.034 0.000 0.999 59 S CB -0.299 62.932 63.200 0.051 0.000 0.844 59 S HN 0.293 nan 8.310 nan 0.000 0.459 60 A N 2.197 125.040 122.820 0.038 0.000 1.902 60 A HA -0.088 4.233 4.320 0.001 0.000 0.217 60 A C 2.292 179.955 177.584 0.131 0.000 1.181 60 A CA 1.520 53.531 52.037 -0.044 0.000 0.623 60 A CB -0.651 18.217 19.000 -0.220 0.000 0.818 60 A HN 0.513 nan 8.150 nan 0.000 0.443 61 E N -0.020 120.308 120.200 0.213 0.000 2.153 61 E HA -0.152 4.199 4.350 0.001 0.000 0.194 61 E C 1.658 178.323 176.600 0.108 0.000 0.988 61 E CA 1.105 57.630 56.400 0.208 0.000 0.811 61 E CB -0.190 29.574 29.700 0.106 0.000 0.746 61 E HN 0.383 nan 8.360 nan 0.000 0.466 62 K N 0.856 121.297 120.400 0.068 0.000 2.365 62 K HA 0.027 4.348 4.320 0.001 0.000 0.197 62 K C 1.321 177.944 176.600 0.038 0.000 1.042 62 K CA 0.136 56.446 56.287 0.038 0.000 0.987 62 K CB -0.286 32.226 32.500 0.021 0.000 0.779 62 K HN 0.108 nan 8.250 nan 0.000 0.484 63 S N -0.196 115.530 115.700 0.044 0.000 2.640 63 S HA 0.086 4.556 4.470 0.001 0.000 0.262 63 S C 1.195 175.812 174.600 0.029 0.000 1.232 63 S CA -0.056 58.158 58.200 0.024 0.000 0.988 63 S CB 1.032 64.223 63.200 -0.015 0.000 1.034 63 S HN 0.203 nan 8.310 nan 0.000 0.569 64 S N -0.238 115.469 115.700 0.012 0.000 2.650 64 S HA 0.035 4.505 4.470 0.001 0.000 0.219 64 S C 1.419 176.024 174.600 0.008 0.000 0.960 64 S CA 0.089 58.300 58.200 0.019 0.000 0.925 64 S CB -0.648 62.566 63.200 0.024 0.000 0.775 64 S HN 0.628 nan 8.310 nan 0.000 0.525 65 L N 2.457 123.668 121.223 -0.020 0.000 2.012 65 L HA -0.046 4.294 4.340 0.001 0.000 0.210 65 L C 2.460 179.364 176.870 0.057 0.000 1.073 65 L CA 2.055 56.847 54.840 -0.079 0.000 0.748 65 L CB -0.794 41.112 42.059 -0.255 0.000 0.891 65 L HN 0.393 nan 8.230 nan 0.000 0.431 66 K N -0.856 119.664 120.400 0.201 0.000 2.044 66 K HA -0.279 4.041 4.320 0.001 0.000 0.210 66 K C 1.924 178.548 176.600 0.041 0.000 1.049 66 K CA 2.175 58.545 56.287 0.139 0.000 0.927 66 K CB -0.359 32.161 32.500 0.032 0.000 0.713 66 K HN 0.443 nan 8.250 nan 0.000 0.443 67 D N 0.188 120.611 120.400 0.039 0.000 2.149 67 D HA -0.095 4.545 4.640 0.001 0.000 0.201 67 D C 1.710 178.051 176.300 0.069 0.000 0.972 67 D CA 0.994 55.015 54.000 0.035 0.000 0.835 67 D CB 0.217 41.035 40.800 0.030 0.000 0.966 67 D HN 0.079 nan 8.370 nan 0.000 0.476 68 K N 0.210 120.662 120.400 0.087 0.000 2.097 68 K HA -0.057 4.264 4.320 0.001 0.000 0.206 68 K C 2.266 179.062 176.600 0.327 0.000 1.049 68 K CA 0.460 56.854 56.287 0.178 0.000 0.933 68 K CB -0.345 32.230 32.500 0.126 0.000 0.717 68 K HN 0.364 nan 8.250 nan 0.000 0.442 69 I N 1.143 121.862 120.570 0.248 0.000 2.163 69 I HA -0.313 3.858 4.170 0.001 0.000 0.243 69 I C 2.646 178.908 176.117 0.241 0.000 1.085 69 I CA 1.337 62.819 61.300 0.303 0.000 1.347 69 I CB -0.283 37.700 38.000 -0.028 0.000 1.044 69 I HN 0.181 nan 8.210 nan 0.000 0.408 70 K N 0.942 121.404 120.400 0.103 0.000 2.032 70 K HA -0.249 4.072 4.320 0.001 0.000 0.209 70 K C 2.170 178.818 176.600 0.081 0.000 1.048 70 K CA 1.646 57.968 56.287 0.058 0.000 0.927 70 K CB -0.071 32.428 32.500 -0.001 0.000 0.712 70 K HN 0.346 nan 8.250 nan 0.000 0.441 71 Q N 0.247 120.095 119.800 0.080 0.000 2.084 71 Q HA -0.204 4.136 4.340 0.001 0.000 0.202 71 Q C 2.203 178.199 176.000 -0.006 0.000 0.978 71 Q CA 2.029 57.859 55.803 0.046 0.000 0.844 71 Q CB -0.168 28.612 28.738 0.070 0.000 0.898 71 Q HN 0.452 nan 8.270 nan 0.000 0.426 72 M N -0.180 119.414 119.600 -0.010 0.000 2.065 72 M HA -0.206 4.275 4.480 0.001 0.000 0.259 72 M C 1.476 177.594 176.300 -0.304 0.000 1.069 72 M CA 1.754 56.900 55.300 -0.257 0.000 1.110 72 M CB -0.076 32.219 32.600 -0.509 0.000 1.328 72 M HN 0.139 nan 8.290 nan 0.000 0.405 73 F N 0.753 120.587 119.950 -0.193 0.000 2.293 73 F HA -0.129 4.398 4.527 0.001 0.000 0.300 73 F C 1.911 177.594 175.800 -0.194 0.000 1.086 73 F CA 1.047 58.926 58.000 -0.201 0.000 1.375 73 F CB -0.480 38.427 39.000 -0.155 0.000 1.045 73 F HN 0.310 nan 8.300 nan 0.000 0.516 74 N N -0.248 118.454 118.700 0.003 0.000 2.467 74 N HA 0.065 4.806 4.740 0.001 0.000 0.184 74 N C 1.565 177.003 175.510 -0.120 0.000 1.106 74 N CA 1.041 54.060 53.050 -0.052 0.000 0.892 74 N CB 0.052 38.522 38.487 -0.029 0.000 0.969 74 N HN 0.279 nan 8.380 nan 0.000 0.454 75 G N -0.237 108.458 108.800 -0.174 0.000 2.137 75 G HA2 -0.239 3.722 3.960 0.001 0.000 0.237 75 G HA3 -0.239 3.722 3.960 0.001 0.000 0.237 75 G C 0.297 175.119 174.900 -0.130 0.000 1.002 75 G CA 0.220 45.188 45.100 -0.220 0.000 0.702 75 G HN 0.594 nan 8.290 nan 0.000 0.515 76 A N -0.252 122.519 122.820 -0.082 0.000 2.448 76 A HA 0.558 4.879 4.320 0.001 0.000 0.239 76 A C 0.914 178.489 177.584 -0.015 0.000 1.080 76 A CA 0.629 52.649 52.037 -0.028 0.000 0.779 76 A CB 0.261 19.261 19.000 0.001 0.000 1.026 76 A HN 0.454 nan 8.150 nan 0.000 0.499 77 K N 2.065 122.485 120.400 0.034 0.000 2.480 77 K HA 0.156 4.477 4.320 0.001 0.000 0.241 77 K C 0.882 177.533 176.600 0.084 0.000 1.261 77 K CA 0.120 56.449 56.287 0.069 0.000 1.193 77 K CB -0.431 32.140 32.500 0.119 0.000 1.598 77 K HN 0.702 nan 8.250 nan 0.000 0.278 78 I N -2.299 118.307 120.570 0.059 0.000 2.830 78 I HA -0.089 4.082 4.170 0.001 0.000 0.263 78 I C 0.687 176.902 176.117 0.164 0.000 1.230 78 I CA 0.474 61.840 61.300 0.111 0.000 1.480 78 I CB -0.077 37.993 38.000 0.116 0.000 1.095 78 I HN 0.128 nan 8.210 nan 0.000 0.455 79 N N 2.184 120.965 118.700 0.135 0.000 2.605 79 N HA 0.033 4.773 4.740 0.001 0.000 0.258 79 N C 1.052 176.622 175.510 0.100 0.000 1.156 79 N CA 0.535 53.687 53.050 0.170 0.000 1.008 79 N CB 0.448 39.033 38.487 0.162 0.000 1.354 79 N HN 0.445 nan 8.380 nan 0.000 0.509 80 S N 0.741 116.500 115.700 0.097 0.000 2.446 80 S HA -0.120 4.350 4.470 0.001 0.000 0.225 80 S C 1.719 176.234 174.600 -0.141 0.000 1.016 80 S CA 1.109 59.331 58.200 0.036 0.000 0.943 80 S CB -0.520 62.736 63.200 0.094 0.000 0.786 80 S HN 0.572 nan 8.310 nan 0.000 0.508 81 T N -0.170 114.366 114.554 -0.028 0.000 3.043 81 T HA 0.168 4.518 4.350 0.001 0.000 0.263 81 T C 1.326 175.995 174.700 -0.053 0.000 1.094 81 T CA 0.666 62.763 62.100 -0.004 0.000 1.127 81 T CB -0.320 68.751 68.868 0.338 0.000 0.905 81 T HN 0.527 nan 8.240 nan 0.000 0.490 82 E N 0.221 120.404 120.200 -0.028 0.000 2.481 82 E HA 0.087 4.438 4.350 0.001 0.000 0.198 82 E C -0.523 176.103 176.600 0.045 0.000 1.027 82 E CA -0.309 56.130 56.400 0.066 0.000 0.900 82 E CB 0.128 29.887 29.700 0.098 0.000 0.993 82 E HN 0.556 nan 8.360 nan 0.000 0.482 83 H N 0.436 119.605 119.070 0.165 0.000 2.672 83 H HA -0.155 4.402 4.556 0.001 0.000 0.325 83 H C -0.346 175.058 175.328 0.126 0.000 1.158 83 H CA 0.747 56.873 56.048 0.131 0.000 1.134 83 H CB -1.701 28.130 29.762 0.116 0.000 1.553 83 H HN 0.228 nan 8.280 nan 0.000 0.419 84 R N -0.406 120.198 120.500 0.172 0.000 2.807 84 R HA 0.756 5.096 4.340 0.001 0.000 0.276 84 R C 0.197 176.571 176.300 0.124 0.000 0.979 84 R CA -0.266 55.936 56.100 0.170 0.000 0.928 84 R CB 2.012 32.413 30.300 0.168 0.000 1.191 84 R HN 0.267 nan 8.270 nan 0.000 0.471 85 A N 1.232 124.127 122.820 0.125 0.000 2.327 85 A HA 0.444 4.765 4.320 0.001 0.000 0.255 85 A C -0.346 177.245 177.584 0.012 0.000 1.099 85 A CA -0.281 51.767 52.037 0.017 0.000 0.801 85 A CB 0.643 19.592 19.000 -0.085 0.000 1.062 85 A HN 0.379 nan 8.150 nan 0.000 0.496 86 V N 1.343 121.151 119.914 -0.178 0.000 2.380 86 V HA 0.284 4.405 4.120 0.001 0.000 0.272 86 V C -0.251 175.575 176.094 -0.446 0.000 1.011 86 V CA 0.143 62.251 62.300 -0.320 0.000 0.826 86 V CB 0.486 31.875 31.823 -0.724 0.000 1.040 86 V HN 0.721 nan 8.190 nan 0.000 0.441 87 L N 4.281 125.379 121.223 -0.209 0.000 3.347 87 L HA 0.270 4.610 4.340 0.001 0.000 0.306 87 L C 1.986 178.802 176.870 -0.090 0.000 1.301 87 L CA -0.216 54.408 54.840 -0.359 0.000 0.985 87 L CB 0.096 41.702 42.059 -0.756 0.000 1.400 87 L HN 0.801 nan 8.230 nan 0.000 0.601 88 H N -1.438 117.629 119.070 -0.005 0.000 2.422 88 H HA -0.158 4.398 4.556 0.001 0.000 0.298 88 H C 1.843 177.107 175.328 -0.107 0.000 1.098 88 H CA 1.769 57.863 56.048 0.076 0.000 1.315 88 H CB -0.940 28.893 29.762 0.118 0.000 1.382 88 H HN 0.431 nan 8.280 nan 0.000 0.523 89 T N -0.470 113.742 114.554 -0.569 0.000 2.759 89 T HA -0.070 4.280 4.350 0.001 0.000 0.269 89 T C 2.361 176.958 174.700 -0.171 0.000 1.042 89 T CA 1.489 63.348 62.100 -0.402 0.000 1.140 89 T CB -0.733 67.728 68.868 -0.679 0.000 0.864 89 T HN 0.513 nan 8.240 nan 0.000 0.455 90 A N 1.419 124.122 122.820 -0.194 0.000 2.067 90 A HA 0.233 4.553 4.320 0.001 0.000 0.219 90 A C 2.380 179.978 177.584 0.024 0.000 1.158 90 A CA 0.947 52.908 52.037 -0.126 0.000 0.661 90 A CB -0.864 17.928 19.000 -0.348 0.000 0.801 90 A HN 0.579 nan 8.150 nan 0.000 0.452 91 L N -0.370 120.942 121.223 0.148 0.000 2.191 91 L HA -0.131 4.210 4.340 0.001 0.000 0.212 91 L C 2.382 179.369 176.870 0.196 0.000 1.103 91 L CA 1.389 56.399 54.840 0.284 0.000 0.769 91 L CB -0.296 42.027 42.059 0.439 0.000 0.908 91 L HN 0.545 nan 8.230 nan 0.000 0.438 92 R N -0.533 120.014 120.500 0.078 0.000 2.577 92 R HA 0.151 4.492 4.340 0.001 0.000 0.344 92 R C -0.289 176.041 176.300 0.050 0.000 1.037 92 R CA -0.305 55.820 56.100 0.042 0.000 1.102 92 R CB -0.568 29.685 30.300 -0.078 0.000 1.313 92 R HN 0.080 nan 8.270 nan 0.000 0.561 93 D N 1.201 121.626 120.400 0.042 0.000 2.455 93 D HA 0.011 4.651 4.640 0.001 0.000 0.241 93 D C 0.627 176.768 176.300 -0.265 0.000 1.138 93 D CA 0.130 54.121 54.000 -0.015 0.000 0.877 93 D CB 0.819 41.621 40.800 0.004 0.000 1.187 93 D HN 0.213 nan 8.370 nan 0.000 0.451 94 L N 2.580 123.336 121.223 -0.778 0.000 2.966 94 L HA 0.082 4.422 4.340 0.001 0.000 0.262 94 L C 2.011 178.589 176.870 -0.487 0.000 1.165 94 L CA 0.049 54.468 54.840 -0.702 0.000 0.978 94 L CB 0.051 41.557 42.059 -0.921 0.000 1.337 94 L HN 0.501 nan 8.230 nan 0.000 0.563 95 S N -1.232 114.268 115.700 -0.334 0.000 2.406 95 S HA -0.146 4.325 4.470 0.001 0.000 0.228 95 S C 1.437 176.004 174.600 -0.055 0.000 1.020 95 S CA 0.821 58.982 58.200 -0.064 0.000 0.965 95 S CB 0.029 63.277 63.200 0.079 0.000 0.798 95 S HN 0.309 nan 8.310 nan 0.000 0.488 96 S N 1.092 116.753 115.700 -0.065 0.000 3.476 96 S HA -0.171 4.300 4.470 0.001 0.000 0.309 96 S C 0.395 174.975 174.600 -0.033 0.000 1.222 96 S CA 0.863 59.036 58.200 -0.046 0.000 0.922 96 S CB -2.558 60.617 63.200 -0.042 0.000 1.023 96 S HN 1.257 nan 8.310 nan 0.000 0.591 97 T N 0.448 114.986 114.554 -0.027 0.000 2.856 97 T HA 0.512 4.862 4.350 0.001 0.000 0.306 97 T C -2.381 172.296 174.700 -0.038 0.000 1.062 97 T CA -1.241 60.842 62.100 -0.029 0.000 1.083 97 T CB 0.403 69.256 68.868 -0.026 0.000 0.984 97 T HN 0.167 nan 8.240 nan 0.000 0.542 98 P HA 0.390 nan 4.420 nan 0.000 0.268 98 P C -1.012 176.251 177.300 -0.061 0.000 1.204 98 P CA -0.425 62.648 63.100 -0.045 0.000 0.768 98 P CB 0.276 31.953 31.700 -0.038 0.000 0.842 99 L N 4.883 126.059 121.223 -0.079 0.000 2.611 99 L HA 0.478 4.818 4.340 0.001 0.000 0.263 99 L C -1.571 175.223 176.870 -0.126 0.000 0.969 99 L CA -0.106 54.667 54.840 -0.112 0.000 0.894 99 L CB 0.883 42.853 42.059 -0.148 0.000 1.229 99 L HN 0.229 nan 8.230 nan 0.000 0.416 100 I N 5.588 126.093 120.570 -0.109 0.000 2.418 100 I HA 0.629 4.799 4.170 0.001 0.000 0.287 100 I C -0.931 175.124 176.117 -0.104 0.000 1.008 100 I CA -0.864 60.381 61.300 -0.092 0.000 1.104 100 I CB 2.005 39.972 38.000 -0.054 0.000 1.264 100 I HN 0.233 nan 8.210 nan 0.000 0.438 101 V N 4.534 124.379 119.914 -0.116 0.000 2.577 101 V HA 0.266 4.387 4.120 0.001 0.000 0.303 101 V C -0.069 176.011 176.094 -0.022 0.000 1.042 101 V CA -0.517 61.720 62.300 -0.106 0.000 0.872 101 V CB 1.657 33.341 31.823 -0.232 0.000 0.998 101 V HN 0.939 nan 8.190 nan 0.000 0.423 102 D N 4.147 124.553 120.400 0.009 0.000 2.723 102 D HA -0.155 4.485 4.640 0.001 0.000 0.236 102 D C 1.238 177.568 176.300 0.050 0.000 1.138 102 D CA 1.985 56.016 54.000 0.051 0.000 0.676 102 D CB -1.071 39.792 40.800 0.105 0.000 1.069 102 D HN 1.740 nan 8.370 nan 0.000 0.430 103 G N -1.219 107.596 108.800 0.025 0.000 2.184 103 G HA2 -0.335 3.625 3.960 0.001 0.000 0.264 103 G HA3 -0.335 3.625 3.960 0.001 0.000 0.264 103 G C 0.057 174.972 174.900 0.025 0.000 0.975 103 G CA 0.678 45.793 45.100 0.025 0.000 0.642 103 G HN 0.602 nan 8.290 nan 0.000 0.536 104 Q N 0.601 120.414 119.800 0.021 0.000 2.274 104 Q HA 0.390 4.731 4.340 0.001 0.000 0.260 104 Q C -0.931 175.050 176.000 -0.032 0.000 0.974 104 Q CA -0.713 55.100 55.803 0.017 0.000 0.876 104 Q CB 1.808 30.576 28.738 0.050 0.000 1.297 104 Q HN 0.310 nan 8.270 nan 0.000 0.446 105 D N 3.289 123.674 120.400 -0.026 0.000 2.359 105 D HA 0.028 4.669 4.640 0.001 0.000 0.250 105 D C 0.946 177.197 176.300 -0.082 0.000 1.264 105 D CA -0.201 53.770 54.000 -0.048 0.000 0.911 105 D CB 0.541 41.327 40.800 -0.023 0.000 1.056 105 D HN 0.366 nan 8.370 nan 0.000 0.499 106 I N 4.129 124.610 120.570 -0.149 0.000 2.315 106 I HA -0.214 3.957 4.170 0.001 0.000 0.248 106 I C 2.221 178.241 176.117 -0.161 0.000 1.117 106 I CA 0.694 61.853 61.300 -0.234 0.000 1.404 106 I CB -0.629 37.134 38.000 -0.394 0.000 1.071 106 I HN 0.379 nan 8.210 nan 0.000 0.419 107 R N 0.954 121.389 120.500 -0.108 0.000 2.073 107 R HA -0.150 4.191 4.340 0.001 0.000 0.234 107 R C 2.102 178.391 176.300 -0.017 0.000 1.134 107 R CA 1.213 57.278 56.100 -0.058 0.000 0.952 107 R CB -0.891 29.382 30.300 -0.046 0.000 0.850 107 R HN 0.550 nan 8.270 nan 0.000 0.433 108 Q N 0.407 120.200 119.800 -0.012 0.000 2.084 108 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 108 Q C 1.938 177.971 176.000 0.056 0.000 0.978 108 Q CA 1.052 56.869 55.803 0.024 0.000 0.844 108 Q CB 0.023 28.776 28.738 0.023 0.000 0.898 108 Q HN 0.343 nan 8.270 nan 0.000 0.426 109 E N 0.238 120.457 120.200 0.031 0.000 2.077 109 E HA -0.135 4.216 4.350 0.001 0.000 0.193 109 E C 2.239 178.945 176.600 0.177 0.000 0.989 109 E CA 0.921 57.382 56.400 0.101 0.000 0.800 109 E CB -0.268 29.415 29.700 -0.028 0.000 0.746 109 E HN 0.163 nan 8.360 nan 0.000 0.452 110 V N 1.492 121.436 119.914 0.049 0.000 2.295 110 V HA -0.227 3.893 4.120 0.001 0.000 0.246 110 V C 2.427 178.667 176.094 0.242 0.000 1.049 110 V CA 2.178 64.594 62.300 0.192 0.000 1.024 110 V CB -0.835 31.058 31.823 0.117 0.000 0.648 110 V HN 0.283 nan 8.190 nan 0.000 0.447 111 T N -0.492 114.154 114.554 0.153 0.000 2.746 111 T HA -0.209 4.142 4.350 0.001 0.000 0.267 111 T C 1.947 176.734 174.700 0.146 0.000 1.039 111 T CA 1.541 63.724 62.100 0.138 0.000 1.142 111 T CB -0.204 68.716 68.868 0.086 0.000 0.866 111 T HN 0.447 nan 8.240 nan 0.000 0.444 112 K N 0.573 121.062 120.400 0.149 0.000 2.057 112 K HA -0.061 4.260 4.320 0.001 0.000 0.206 112 K C 2.473 179.170 176.600 0.161 0.000 1.050 112 K CA 0.929 57.296 56.287 0.133 0.000 0.935 112 K CB 0.008 32.584 32.500 0.127 0.000 0.715 112 K HN 0.208 nan 8.250 nan 0.000 0.439 113 E N 1.111 121.461 120.200 0.250 0.000 2.106 113 E HA -0.140 4.210 4.350 0.001 0.000 0.192 113 E C 1.782 178.512 176.600 0.217 0.000 0.984 113 E CA 1.143 57.697 56.400 0.256 0.000 0.806 113 E CB 0.001 29.909 29.700 0.347 0.000 0.750 113 E HN 0.269 nan 8.360 nan 0.000 0.458 114 K N 0.775 121.321 120.400 0.242 0.000 2.063 114 K HA -0.176 4.145 4.320 0.001 0.000 0.208 114 K C 2.328 178.920 176.600 -0.013 0.000 1.048 114 K CA 1.350 57.767 56.287 0.217 0.000 0.928 114 K CB -0.138 32.563 32.500 0.335 0.000 0.713 114 K HN 0.138 nan 8.250 nan 0.000 0.442 115 Q N 0.334 120.141 119.800 0.012 0.000 2.096 115 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 115 Q C 2.162 178.121 176.000 -0.069 0.000 0.982 115 Q CA 1.506 57.275 55.803 -0.057 0.000 0.850 115 Q CB -0.082 28.661 28.738 0.008 0.000 0.901 115 Q HN 0.266 nan 8.270 nan 0.000 0.422 116 R N -0.237 120.280 120.500 0.028 0.000 2.081 116 R HA -0.113 4.228 4.340 0.001 0.000 0.235 116 R C 2.339 178.697 176.300 0.095 0.000 1.131 116 R CA 1.405 57.568 56.100 0.105 0.000 0.960 116 R CB -0.394 30.012 30.300 0.178 0.000 0.856 116 R HN 0.108 nan 8.270 nan 0.000 0.436 117 V N 1.611 121.518 119.914 -0.011 0.000 2.343 117 V HA -0.270 3.851 4.120 0.001 0.000 0.247 117 V C 2.421 178.274 176.094 -0.402 0.000 1.051 117 V CA 1.811 63.972 62.300 -0.231 0.000 1.036 117 V CB -0.500 31.223 31.823 -0.167 0.000 0.654 117 V HN 0.327 nan 8.190 nan 0.000 0.451 118 K N 0.289 120.298 120.400 -0.651 0.000 2.063 118 K HA -0.282 4.039 4.320 0.001 0.000 0.208 118 K C 2.238 178.633 176.600 -0.341 0.000 1.048 118 K CA 2.175 57.971 56.287 -0.820 0.000 0.928 118 K CB -0.179 31.702 32.500 -1.032 0.000 0.713 118 K HN 0.593 nan 8.250 nan 0.000 0.442 119 E N 0.370 120.447 120.200 -0.206 0.000 2.077 119 E HA -0.215 4.136 4.350 0.001 0.000 0.193 119 E C 2.090 178.666 176.600 -0.040 0.000 0.989 119 E CA 1.044 57.398 56.400 -0.076 0.000 0.800 119 E CB -0.092 29.601 29.700 -0.012 0.000 0.746 119 E HN 0.294 nan 8.360 nan 0.000 0.452 120 L N 0.443 121.625 121.223 -0.068 0.000 2.017 120 L HA -0.152 4.189 4.340 0.001 0.000 0.208 120 L C 2.260 179.040 176.870 -0.149 0.000 1.073 120 L CA 1.454 56.253 54.840 -0.068 0.000 0.745 120 L CB -0.532 41.401 42.059 -0.210 0.000 0.894 120 L HN 0.054 nan 8.230 nan 0.000 0.432 121 V N -0.014 119.697 119.914 -0.338 0.000 2.295 121 V HA -0.285 3.835 4.120 0.001 0.000 0.246 121 V C 2.657 178.700 176.094 -0.085 0.000 1.049 121 V CA 1.910 63.979 62.300 -0.384 0.000 1.024 121 V CB -0.759 30.749 31.823 -0.524 0.000 0.648 121 V HN 0.621 nan 8.190 nan 0.000 0.447 122 E N 0.647 120.809 120.200 -0.063 0.000 2.110 122 E HA -0.223 4.127 4.350 0.001 0.000 0.193 122 E C 2.147 178.780 176.600 0.055 0.000 0.988 122 E CA 1.619 58.023 56.400 0.006 0.000 0.804 122 E CB -0.259 29.439 29.700 -0.002 0.000 0.745 122 E HN 0.522 nan 8.360 nan 0.000 0.458 123 K N -0.386 120.063 120.400 0.081 0.000 2.057 123 K HA -0.066 4.255 4.320 0.001 0.000 0.206 123 K C 2.108 178.827 176.600 0.200 0.000 1.050 123 K CA 1.317 57.700 56.287 0.160 0.000 0.935 123 K CB -0.041 32.609 32.500 0.250 0.000 0.715 123 K HN 0.043 nan 8.250 nan 0.000 0.439 124 V N 0.753 120.760 119.914 0.155 0.000 2.307 124 V HA -0.194 3.926 4.120 0.001 0.000 0.245 124 V C 2.203 178.364 176.094 0.111 0.000 1.045 124 V CA 1.393 63.759 62.300 0.111 0.000 1.024 124 V CB -0.174 31.659 31.823 0.017 0.000 0.651 124 V HN 0.070 nan 8.190 nan 0.000 0.449 125 V N 1.000 120.982 119.914 0.113 0.000 2.427 125 V HA -0.180 3.940 4.120 0.001 0.000 0.248 125 V C 2.611 178.753 176.094 0.081 0.000 1.051 125 V CA 2.104 64.459 62.300 0.092 0.000 1.048 125 V CB -0.638 31.237 31.823 0.087 0.000 0.666 125 V HN 0.757 nan 8.190 nan 0.000 0.456 126 S N 0.083 115.833 115.700 0.084 0.000 2.515 126 S HA 0.122 4.592 4.470 0.001 0.000 0.231 126 S C 1.750 176.399 174.600 0.082 0.000 0.987 126 S CA 0.928 59.173 58.200 0.075 0.000 0.936 126 S CB 0.146 63.388 63.200 0.070 0.000 0.766 126 S HN 1.194 nan 8.310 nan 0.000 0.528 127 G N 1.582 110.444 108.800 0.104 0.000 2.159 127 G HA2 -0.301 3.659 3.960 0.001 0.000 0.256 127 G HA3 -0.301 3.659 3.960 0.001 0.000 0.256 127 G C 0.940 175.912 174.900 0.121 0.000 0.977 127 G CA 0.359 45.526 45.100 0.112 0.000 0.652 127 G HN 0.526 nan 8.290 nan 0.000 0.531 128 R N -1.402 119.176 120.500 0.130 0.000 2.092 128 R HA -0.020 4.320 4.340 0.001 0.000 0.231 128 R C 1.293 177.685 176.300 0.153 0.000 1.119 128 R CA 0.961 57.131 56.100 0.117 0.000 0.970 128 R CB 0.021 30.383 30.300 0.102 0.000 0.864 128 R HN 0.451 nan 8.270 nan 0.000 0.440 129 W N 3.006 124.321 121.300 0.026 0.000 2.356 129 W HA 0.114 4.774 4.660 0.001 0.000 0.311 129 W C -0.560 175.968 176.519 0.014 0.000 1.328 129 W CA -0.082 57.277 57.345 0.023 0.000 1.251 129 W CB 0.403 29.884 29.460 0.035 0.000 1.280 129 W HN -0.040 nan 8.180 nan 0.000 0.524 130 R N 3.464 124.027 120.500 0.105 0.000 2.778 130 R HA 0.513 4.854 4.340 0.001 0.000 0.277 130 R C 0.505 176.860 176.300 0.091 0.000 0.977 130 R CA -0.712 55.468 56.100 0.133 0.000 0.950 130 R CB 0.887 31.212 30.300 0.041 0.000 1.165 130 R HN 0.633 nan 8.270 nan 0.000 0.474 131 G N 0.264 109.156 108.800 0.153 0.000 2.683 131 G HA2 -0.000 3.960 3.960 0.001 0.000 0.260 131 G HA3 -0.000 3.960 3.960 0.001 0.000 0.260 131 G C 0.439 175.449 174.900 0.184 0.000 1.238 131 G CA -0.320 44.841 45.100 0.103 0.000 0.934 131 G HN 0.535 nan 8.290 nan 0.000 0.534 132 F N 0.608 120.664 119.950 0.177 0.000 2.269 132 F HA -0.097 4.431 4.527 0.001 0.000 0.301 132 F C 2.690 178.555 175.800 0.108 0.000 1.082 132 F CA 1.852 59.853 58.000 0.002 0.000 1.360 132 F CB 0.081 38.878 39.000 -0.339 0.000 1.041 132 F HN 0.343 nan 8.300 nan 0.000 0.512 133 S N -0.914 114.967 115.700 0.302 0.000 2.605 133 S HA 0.364 4.834 4.470 0.001 0.000 0.217 133 S C 1.523 176.162 174.600 0.065 0.000 0.958 133 S CA 0.251 58.541 58.200 0.150 0.000 0.919 133 S CB -0.285 63.092 63.200 0.295 0.000 0.780 133 S HN 0.798 nan 8.310 nan 0.000 0.507 134 G N 0.890 109.724 108.800 0.057 0.000 2.157 134 G HA2 -0.216 3.744 3.960 0.001 0.000 0.239 134 G HA3 -0.216 3.744 3.960 0.001 0.000 0.239 134 G C -0.146 174.794 174.900 0.068 0.000 0.982 134 G CA -0.123 44.994 45.100 0.028 0.000 0.650 134 G HN 0.565 nan 8.290 nan 0.000 0.527 135 K N 0.640 121.110 120.400 0.117 0.000 2.118 135 K HA 0.446 4.766 4.320 0.001 0.000 0.267 135 K C 0.529 177.206 176.600 0.129 0.000 0.991 135 K CA -0.636 55.718 56.287 0.112 0.000 0.916 135 K CB 1.202 33.775 32.500 0.120 0.000 1.041 135 K HN 0.140 nan 8.250 nan 0.000 0.455 136 K N 1.819 122.282 120.400 0.105 0.000 2.382 136 K HA 0.114 4.435 4.320 0.001 0.000 0.275 136 K C 0.219 176.885 176.600 0.109 0.000 1.009 136 K CA -0.393 55.960 56.287 0.111 0.000 0.970 136 K CB 0.373 32.923 32.500 0.084 0.000 0.934 136 K HN 0.300 nan 8.250 nan 0.000 0.479 137 I N 2.882 123.515 120.570 0.106 0.000 2.529 137 I HA -0.050 4.120 4.170 0.001 0.000 0.284 137 I C 1.648 177.777 176.117 0.021 0.000 1.082 137 I CA 0.589 61.924 61.300 0.058 0.000 1.406 137 I CB 0.764 38.753 38.000 -0.018 0.000 1.405 137 I HN 0.822 nan 8.210 nan 0.000 0.548 138 T N 0.253 114.817 114.554 0.016 0.000 2.958 138 T HA 0.289 4.639 4.350 0.001 0.000 0.256 138 T C 0.141 174.838 174.700 -0.006 0.000 0.983 138 T CA -0.213 61.894 62.100 0.011 0.000 0.924 138 T CB 0.225 69.112 68.868 0.033 0.000 1.136 138 T HN 0.486 nan 8.240 nan 0.000 0.506 139 D N 0.590 120.974 120.400 -0.027 0.000 2.819 139 D HA 0.580 5.220 4.640 0.001 0.000 0.232 139 D C -1.266 174.956 176.300 -0.130 0.000 1.160 139 D CA -0.623 53.371 54.000 -0.010 0.000 0.858 139 D CB 1.914 42.754 40.800 0.066 0.000 1.610 139 D HN 0.059 nan 8.370 nan 0.000 0.481 140 I N 1.902 122.369 120.570 -0.172 0.000 2.465 140 I HA 0.410 4.580 4.170 0.001 0.000 0.291 140 I C -0.658 175.326 176.117 -0.222 0.000 1.014 140 I CA -0.870 60.222 61.300 -0.346 0.000 1.093 140 I CB 1.585 39.232 38.000 -0.587 0.000 1.267 140 I HN 0.185 nan 8.210 nan 0.000 0.431 141 V N 5.605 125.363 119.914 -0.260 0.000 2.376 141 V HA 0.317 4.437 4.120 0.001 0.000 0.287 141 V C 0.042 175.977 176.094 -0.265 0.000 1.015 141 V CA -0.795 61.352 62.300 -0.255 0.000 0.834 141 V CB 1.697 33.363 31.823 -0.261 0.000 1.001 141 V HN 0.736 nan 8.190 nan 0.000 0.428 142 N N 4.452 122.952 118.700 -0.334 0.000 2.444 142 N HA 0.498 5.238 4.740 0.001 0.000 0.271 142 N C -0.823 174.624 175.510 -0.106 0.000 1.069 142 N CA -0.214 52.712 53.050 -0.206 0.000 0.965 142 N CB 0.743 39.097 38.487 -0.222 0.000 1.092 142 N HN 0.643 nan 8.380 nan 0.000 0.476 143 I N 2.761 123.298 120.570 -0.054 0.000 2.382 143 I HA 0.615 4.786 4.170 0.001 0.000 0.285 143 I C 0.596 176.691 176.117 -0.036 0.000 1.007 143 I CA -0.562 60.712 61.300 -0.043 0.000 1.142 143 I CB 1.359 39.335 38.000 -0.039 0.000 1.289 143 I HN 0.607 nan 8.210 nan 0.000 0.453 144 G N 5.905 114.691 108.800 -0.024 0.000 2.466 144 G HA2 0.605 4.566 3.960 0.001 0.000 0.291 144 G HA3 0.605 4.566 3.960 0.001 0.000 0.291 144 G C -2.095 172.789 174.900 -0.028 0.000 1.460 144 G CA -0.469 44.611 45.100 -0.033 0.000 0.791 144 G HN 0.485 nan 8.290 nan 0.000 0.505 145 I N -0.319 120.225 120.570 -0.043 0.000 2.969 145 I HA 0.667 4.837 4.170 0.001 0.000 0.307 145 I C 1.042 177.126 176.117 -0.055 0.000 1.149 145 I CA 0.753 62.025 61.300 -0.047 0.000 1.008 145 I CB 2.033 40.002 38.000 -0.052 0.000 1.232 145 I HN 1.928 nan 8.210 nan 0.000 0.435 146 G N 3.553 112.313 108.800 -0.066 0.000 2.591 146 G HA2 -0.333 3.627 3.960 0.001 0.000 0.298 146 G HA3 -0.333 3.627 3.960 0.001 0.000 0.298 146 G C 0.897 175.746 174.900 -0.085 0.000 1.195 146 G CA 0.441 45.491 45.100 -0.083 0.000 0.989 146 G HN 1.330 nan 8.290 nan 0.000 0.551 147 G N -0.577 108.171 108.800 -0.087 0.000 2.479 147 G HA2 0.117 4.078 3.960 0.001 0.000 0.220 147 G HA3 0.117 4.078 3.960 0.001 0.000 0.220 147 G C 1.721 176.600 174.900 -0.035 0.000 1.115 147 G CA 1.924 46.980 45.100 -0.073 0.000 0.757 147 G HN 1.234 nan 8.290 nan 0.000 0.560 148 S N -0.546 115.136 115.700 -0.031 0.000 2.634 148 S HA 0.176 4.647 4.470 0.001 0.000 0.221 148 S C 1.070 175.672 174.600 0.004 0.000 0.952 148 S CA 0.672 58.867 58.200 -0.010 0.000 0.930 148 S CB 0.228 63.420 63.200 -0.013 0.000 0.780 148 S HN 0.640 nan 8.310 nan 0.000 0.498 149 D N -0.028 120.358 120.400 -0.023 0.000 2.954 149 D HA 0.109 4.750 4.640 0.001 0.000 0.266 149 D C 1.463 177.665 176.300 -0.163 0.000 1.277 149 D CA -0.148 53.830 54.000 -0.037 0.000 1.130 149 D CB -0.515 40.260 40.800 -0.042 0.000 1.440 149 D HN 0.106 nan 8.370 nan 0.000 0.427 150 L N 0.873 122.018 121.223 -0.130 0.000 2.109 150 L HA 0.337 4.677 4.340 0.001 0.000 0.207 150 L C 2.094 178.892 176.870 -0.120 0.000 1.086 150 L CA 2.369 57.117 54.840 -0.153 0.000 0.760 150 L CB -0.917 41.106 42.059 -0.060 0.000 0.910 150 L HN 0.259 nan 8.230 nan 0.000 0.437 151 G N -0.223 108.576 108.800 -0.002 0.000 2.433 151 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 151 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 151 G C -0.615 174.081 174.900 -0.340 0.000 1.186 151 G CA 0.856 45.823 45.100 -0.221 0.000 0.779 151 G HN 0.353 nan 8.290 nan 0.000 0.543 152 P HA -0.053 nan 4.420 nan 0.000 0.215 152 P C 1.771 178.777 177.300 -0.491 0.000 1.153 152 P CA 1.520 64.494 63.100 -0.210 0.000 0.853 152 P CB -0.006 31.710 31.700 0.027 0.000 0.788 153 K N -0.689 119.128 120.400 -0.973 0.000 2.026 153 K HA -0.151 4.170 4.320 0.001 0.000 0.208 153 K C 2.075 178.259 176.600 -0.694 0.000 1.048 153 K CA 1.441 56.897 56.287 -1.384 0.000 0.929 153 K CB -0.571 31.107 32.500 -1.371 0.000 0.713 153 K HN -0.024 nan 8.250 nan 0.000 0.439 154 M N 1.022 120.327 119.600 -0.492 0.000 2.117 154 M HA -0.130 4.351 4.480 0.001 0.000 0.262 154 M C 1.853 178.087 176.300 -0.111 0.000 1.065 154 M CA 1.545 56.726 55.300 -0.198 0.000 1.114 154 M CB -0.241 32.264 32.600 -0.160 0.000 1.361 154 M HN 0.080 nan 8.290 nan 0.000 0.408 155 V N -0.063 119.733 119.914 -0.196 0.000 2.358 155 V HA -0.209 3.911 4.120 0.001 0.000 0.246 155 V C 2.602 178.697 176.094 0.002 0.000 1.047 155 V CA 1.330 63.560 62.300 -0.116 0.000 1.035 155 V CB -0.731 30.983 31.823 -0.182 0.000 0.658 155 V HN 0.318 nan 8.190 nan 0.000 0.452 156 V N 0.278 120.201 119.914 0.016 0.000 2.287 156 V HA -0.289 3.831 4.120 0.001 0.000 0.248 156 V C 2.662 178.911 176.094 0.259 0.000 1.053 156 V CA 2.470 64.879 62.300 0.182 0.000 1.027 156 V CB -0.742 31.208 31.823 0.212 0.000 0.646 156 V HN 0.500 nan 8.190 nan 0.000 0.447 157 R N 0.966 121.551 120.500 0.141 0.000 2.081 157 R HA -0.066 4.274 4.340 0.001 0.000 0.235 157 R C 2.129 178.480 176.300 0.085 0.000 1.131 157 R CA 1.948 58.135 56.100 0.144 0.000 0.960 157 R CB -1.014 29.439 30.300 0.255 0.000 0.856 157 R HN 0.439 nan 8.270 nan 0.000 0.436 158 A N 0.047 122.914 122.820 0.079 0.000 2.019 158 A HA 0.004 4.324 4.320 0.001 0.000 0.219 158 A C 1.611 179.226 177.584 0.052 0.000 1.164 158 A CA 1.211 53.275 52.037 0.045 0.000 0.644 158 A CB -0.274 18.738 19.000 0.020 0.000 0.805 158 A HN 0.340 nan 8.150 nan 0.000 0.449 159 L N -0.652 120.628 121.223 0.095 0.000 2.928 159 L HA 0.155 4.496 4.340 0.001 0.000 0.246 159 L C 1.827 178.801 176.870 0.174 0.000 1.239 159 L CA -0.043 54.909 54.840 0.187 0.000 1.035 159 L CB -0.098 42.050 42.059 0.148 0.000 1.360 159 L HN 0.508 nan 8.230 nan 0.000 0.529 160 Q N 1.561 121.298 119.800 -0.106 0.000 2.152 160 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 160 Q C -0.630 175.112 176.000 -0.430 0.000 0.985 160 Q CA 1.862 57.321 55.803 -0.573 0.000 0.863 160 Q CB -0.346 28.121 28.738 -0.452 0.000 0.904 160 Q HN 0.345 nan 8.270 nan 0.000 0.422 161 P HA -0.129 nan 4.420 nan 0.000 0.225 161 P C -0.202 176.876 177.300 -0.368 0.000 1.148 161 P CA 1.119 63.971 63.100 -0.415 0.000 0.779 161 P CB -0.041 31.273 31.700 -0.644 0.000 0.780 162 Y N -2.697 117.593 120.300 -0.017 0.000 2.457 162 Y HA 0.090 4.641 4.550 0.001 0.000 0.263 162 Y C 1.071 177.073 175.900 0.169 0.000 1.164 162 Y CA -0.275 57.869 58.100 0.074 0.000 1.274 162 Y CB -0.957 37.550 38.460 0.079 0.000 1.097 162 Y HN 0.081 nan 8.280 nan 0.000 0.523 163 H N -0.078 119.050 119.070 0.096 0.000 2.928 163 H HA 0.083 4.639 4.556 0.001 0.000 0.338 163 H C 0.484 175.848 175.328 0.060 0.000 1.047 163 H CA 0.632 56.724 56.048 0.074 0.000 1.435 163 H CB 0.861 30.649 29.762 0.043 0.000 1.428 163 H HN 0.499 nan 8.280 nan 0.000 0.590 164 C N -0.195 119.203 119.300 0.162 0.000 3.897 164 C HA 0.095 4.555 4.460 0.001 0.000 0.304 164 C C 1.729 176.768 174.990 0.082 0.000 2.314 164 C CA 0.054 59.139 59.018 0.111 0.000 1.559 164 C CB -1.117 26.692 27.740 0.114 0.000 3.163 164 C HN 0.877 nan 8.230 nan 0.000 0.476 165 T N -3.575 111.019 114.554 0.067 0.000 3.040 165 T HA 0.192 4.543 4.350 0.001 0.000 0.250 165 T C 0.531 175.262 174.700 0.052 0.000 1.058 165 T CA 0.978 63.114 62.100 0.060 0.000 0.988 165 T CB -0.304 68.602 68.868 0.063 0.000 0.993 165 T HN 0.372 nan 8.240 nan 0.000 0.519 166 D N 0.523 120.952 120.400 0.048 0.000 3.079 166 D HA -0.116 4.524 4.640 0.001 0.000 0.214 166 D C -0.333 175.981 176.300 0.023 0.000 1.145 166 D CA 0.574 54.598 54.000 0.040 0.000 0.958 166 D CB -1.669 39.156 40.800 0.042 0.000 1.117 166 D HN 0.471 nan 8.370 nan 0.000 0.416 167 L N 0.042 121.268 121.223 0.005 0.000 2.325 167 L HA 0.391 4.732 4.340 0.001 0.000 0.278 167 L C 0.805 177.638 176.870 -0.062 0.000 1.023 167 L CA -0.657 54.163 54.840 -0.034 0.000 0.811 167 L CB 1.599 43.620 42.059 -0.064 0.000 1.249 167 L HN -0.319 nan 8.230 nan 0.000 0.431 168 K N 1.962 122.317 120.400 -0.074 0.000 2.183 168 K HA 0.558 4.879 4.320 0.001 0.000 0.274 168 K C -1.136 175.278 176.600 -0.310 0.000 1.009 168 K CA -0.611 55.577 56.287 -0.165 0.000 0.888 168 K CB 2.189 34.622 32.500 -0.112 0.000 1.078 168 K HN 0.232 nan 8.250 nan 0.000 0.459 169 V N 4.365 124.023 119.914 -0.426 0.000 2.417 169 V HA 0.281 4.401 4.120 0.001 0.000 0.291 169 V C -0.307 175.402 176.094 -0.642 0.000 1.024 169 V CA -0.796 61.233 62.300 -0.452 0.000 0.861 169 V CB 1.130 32.759 31.823 -0.323 0.000 0.985 169 V HN 0.753 nan 8.190 nan 0.000 0.436 170 H N 3.898 122.687 119.070 -0.468 0.000 2.679 170 H HA 0.570 5.126 4.556 0.001 0.000 0.367 170 H C -1.579 173.335 175.328 -0.690 0.000 1.162 170 H CA -0.581 55.241 56.048 -0.376 0.000 1.181 170 H CB 2.379 31.998 29.762 -0.238 0.000 1.693 170 H HN 0.475 nan 8.280 nan 0.000 0.538 171 F N 0.958 120.916 119.950 0.013 0.000 2.460 171 F HA 0.295 4.823 4.527 0.001 0.000 0.341 171 F C -0.108 175.656 175.800 -0.060 0.000 1.130 171 F CA -0.757 57.212 58.000 -0.050 0.000 0.962 171 F CB 1.727 40.671 39.000 -0.094 0.000 1.171 171 F HN 0.105 nan 8.300 nan 0.000 0.436 172 V N 3.071 123.004 119.914 0.033 0.000 2.417 172 V HA 0.526 4.646 4.120 0.001 0.000 0.291 172 V C 0.025 176.116 176.094 -0.004 0.000 1.024 172 V CA 0.010 62.297 62.300 -0.021 0.000 0.861 172 V CB 1.463 33.232 31.823 -0.090 0.000 0.985 172 V HN 0.957 nan 8.190 nan 0.000 0.436 173 S N 3.114 118.806 115.700 -0.014 0.000 4.198 173 S HA 0.160 4.630 4.470 0.001 0.000 0.202 173 S C 0.617 175.196 174.600 -0.035 0.000 1.124 173 S CA -0.194 57.994 58.200 -0.020 0.000 1.050 173 S CB -0.226 62.966 63.200 -0.014 0.000 1.401 173 S HN 0.533 nan 8.310 nan 0.000 0.589 174 N N 1.868 120.549 118.700 -0.031 0.000 2.345 174 N HA 0.055 4.795 4.740 0.001 0.000 0.243 174 N C 1.055 176.543 175.510 -0.037 0.000 1.246 174 N CA 0.628 53.659 53.050 -0.032 0.000 0.863 174 N CB 1.308 39.780 38.487 -0.026 0.000 1.096 174 N HN 0.255 nan 8.380 nan 0.000 0.446 175 V N 1.939 121.833 119.914 -0.034 0.000 2.594 175 V HA -0.162 3.958 4.120 0.001 0.000 0.253 175 V C 0.484 176.560 176.094 -0.031 0.000 1.069 175 V CA 1.226 63.507 62.300 -0.033 0.000 1.082 175 V CB -0.679 31.128 31.823 -0.028 0.000 0.680 175 V HN 0.768 nan 8.190 nan 0.000 0.469 176 D N 0.293 120.677 120.400 -0.028 0.000 2.520 176 D HA 0.029 4.670 4.640 0.001 0.000 0.243 176 D C 1.105 177.382 176.300 -0.038 0.000 1.160 176 D CA 0.827 54.811 54.000 -0.026 0.000 0.877 176 D CB 1.355 42.142 40.800 -0.021 0.000 1.150 176 D HN 0.352 nan 8.370 nan 0.000 0.494 177 A N 3.866 126.662 122.820 -0.040 0.000 2.172 177 A HA -0.153 4.167 4.320 0.001 0.000 0.216 177 A C 1.800 179.334 177.584 -0.083 0.000 1.154 177 A CA 1.300 53.300 52.037 -0.061 0.000 0.701 177 A CB -0.346 18.623 19.000 -0.051 0.000 0.789 177 A HN 0.738 nan 8.150 nan 0.000 0.465 178 D N -0.562 119.802 120.400 -0.060 0.000 2.158 178 D HA -0.177 4.463 4.640 0.001 0.000 0.197 178 D C 2.108 178.355 176.300 -0.089 0.000 0.995 178 D CA 1.703 55.664 54.000 -0.065 0.000 0.846 178 D CB 0.002 40.785 40.800 -0.028 0.000 0.941 178 D HN 0.354 nan 8.370 nan 0.000 0.456 179 S N -1.147 114.510 115.700 -0.073 0.000 2.348 179 S HA -0.158 4.313 4.470 0.001 0.000 0.221 179 S C 1.849 176.376 174.600 -0.122 0.000 1.033 179 S CA 1.090 59.247 58.200 -0.072 0.000 1.010 179 S CB -0.535 62.636 63.200 -0.049 0.000 0.891 179 S HN 0.343 nan 8.310 nan 0.000 0.442 180 L N 1.647 122.783 121.223 -0.146 0.000 2.042 180 L HA 0.047 4.388 4.340 0.001 0.000 0.210 180 L C 2.119 178.799 176.870 -0.316 0.000 1.076 180 L CA 1.702 56.413 54.840 -0.216 0.000 0.749 180 L CB -0.666 41.279 42.059 -0.189 0.000 0.893 180 L HN 0.399 nan 8.230 nan 0.000 0.432 181 L N -1.023 120.004 121.223 -0.327 0.000 2.141 181 L HA -0.176 4.165 4.340 0.001 0.000 0.209 181 L C 2.591 179.080 176.870 -0.635 0.000 1.094 181 L CA 0.560 55.061 54.840 -0.565 0.000 0.763 181 L CB -0.617 41.110 42.059 -0.553 0.000 0.908 181 L HN 0.333 nan 8.230 nan 0.000 0.437 182 Q N -0.191 119.415 119.800 -0.323 0.000 2.170 182 Q HA -0.133 4.207 4.340 0.001 0.000 0.203 182 Q C 2.347 178.251 176.000 -0.161 0.000 0.976 182 Q CA 1.676 57.382 55.803 -0.163 0.000 0.858 182 Q CB -0.367 28.341 28.738 -0.049 0.000 0.907 182 Q HN 0.544 nan 8.270 nan 0.000 0.433 183 A N 0.509 123.178 122.820 -0.252 0.000 1.855 183 A HA -0.029 4.292 4.320 0.001 0.000 0.213 183 A C 2.201 179.516 177.584 -0.449 0.000 1.195 183 A CA 0.669 52.486 52.037 -0.367 0.000 0.610 183 A CB -0.640 18.126 19.000 -0.390 0.000 0.837 183 A HN 0.302 nan 8.150 nan 0.000 0.444 184 L N -0.938 119.969 121.223 -0.525 0.000 2.191 184 L HA -0.212 4.129 4.340 0.001 0.000 0.212 184 L C 2.314 179.062 176.870 -0.203 0.000 1.103 184 L CA 1.392 55.873 54.840 -0.599 0.000 0.769 184 L CB -0.867 40.687 42.059 -0.842 0.000 0.908 184 L HN 0.547 nan 8.230 nan 0.000 0.438 185 H N -0.876 118.091 119.070 -0.172 0.000 2.521 185 H HA -0.064 4.492 4.556 0.001 0.000 0.286 185 H C 1.636 176.932 175.328 -0.054 0.000 1.034 185 H CA 1.024 57.028 56.048 -0.074 0.000 1.278 185 H CB 0.374 30.104 29.762 -0.055 0.000 1.386 185 H HN 0.339 nan 8.280 nan 0.000 0.567 186 V N -1.767 118.158 119.914 0.018 0.000 3.346 186 V HA 0.242 4.362 4.120 0.001 0.000 0.309 186 V C 0.271 176.339 176.094 -0.044 0.000 1.457 186 V CA -0.225 62.077 62.300 0.004 0.000 1.069 186 V CB 0.096 31.940 31.823 0.036 0.000 0.944 186 V HN 0.102 nan 8.190 nan 0.000 0.449 187 V N -2.539 117.334 119.914 -0.068 0.000 3.001 187 V HA 0.802 4.923 4.120 0.001 0.000 0.314 187 V C -1.434 174.750 176.094 0.150 0.000 1.099 187 V CA -0.467 61.817 62.300 -0.027 0.000 0.989 187 V CB 2.233 33.954 31.823 -0.171 0.000 1.040 187 V HN 0.226 nan 8.190 nan 0.000 0.434 188 D N 3.051 123.515 120.400 0.107 0.000 2.256 188 D HA 0.547 5.187 4.640 0.001 0.000 0.240 188 D C -1.840 174.402 176.300 -0.097 0.000 1.062 188 D CA -2.232 51.767 54.000 -0.003 0.000 0.832 188 D CB 2.619 43.382 40.800 -0.061 0.000 1.135 188 D HN 0.356 nan 8.370 nan 0.000 0.484 189 P HA -0.134 nan 4.420 nan 0.000 0.217 189 P C 0.649 177.645 177.300 -0.507 0.000 1.148 189 P CA 1.125 63.732 63.100 -0.822 0.000 0.828 189 P CB 0.375 31.220 31.700 -1.424 0.000 0.783 190 E N -0.916 119.038 120.200 -0.409 0.000 2.418 190 E HA -0.047 4.304 4.350 0.001 0.000 0.197 190 E C 0.920 177.663 176.600 0.238 0.000 1.026 190 E CA 1.364 57.753 56.400 -0.017 0.000 0.862 190 E CB -0.322 29.351 29.700 -0.045 0.000 0.799 190 E HN 0.400 nan 8.360 nan 0.000 0.518 191 T N -2.384 112.250 114.554 0.133 0.000 3.231 191 T HA 0.160 4.511 4.350 0.001 0.000 0.292 191 T C 0.216 174.996 174.700 0.134 0.000 1.001 191 T CA -0.477 61.715 62.100 0.153 0.000 0.920 191 T CB 0.677 69.592 68.868 0.078 0.000 1.140 191 T HN -0.234 nan 8.240 nan 0.000 0.525 192 T N 2.717 117.384 114.554 0.188 0.000 2.824 192 T HA 0.656 5.006 4.350 0.001 0.000 0.282 192 T C -1.234 173.565 174.700 0.165 0.000 0.993 192 T CA -0.631 61.538 62.100 0.114 0.000 0.967 192 T CB 1.918 70.866 68.868 0.133 0.000 0.960 192 T HN 0.242 nan 8.240 nan 0.000 0.441 193 L N 4.506 125.693 121.223 -0.060 0.000 2.282 193 L HA 0.641 4.981 4.340 0.001 0.000 0.288 193 L C -1.369 175.353 176.870 -0.247 0.000 1.033 193 L CA -0.525 54.217 54.840 -0.164 0.000 0.807 193 L CB 0.537 42.351 42.059 -0.409 0.000 1.209 193 L HN 0.549 nan 8.230 nan 0.000 0.423 194 L N 6.256 127.312 121.223 -0.279 0.000 2.309 194 L HA 0.535 4.875 4.340 0.001 0.000 0.282 194 L C -0.490 176.294 176.870 -0.143 0.000 1.036 194 L CA -0.126 54.521 54.840 -0.320 0.000 0.806 194 L CB 1.499 43.164 42.059 -0.657 0.000 1.220 194 L HN 0.500 nan 8.230 nan 0.000 0.429 195 I N 4.228 124.753 120.570 -0.075 0.000 2.362 195 I HA 0.358 4.528 4.170 0.001 0.000 0.289 195 I C -0.440 175.721 176.117 0.074 0.000 0.994 195 I CA -0.350 60.964 61.300 0.025 0.000 1.158 195 I CB 1.535 39.518 38.000 -0.028 0.000 1.315 195 I HN 0.432 nan 8.210 nan 0.000 0.451 196 I N 6.274 126.939 120.570 0.159 0.000 2.291 196 I HA 0.371 4.542 4.170 0.001 0.000 0.290 196 I C 0.445 176.626 176.117 0.106 0.000 1.050 196 I CA -0.228 61.122 61.300 0.085 0.000 1.245 196 I CB 0.974 38.987 38.000 0.021 0.000 1.405 196 I HN 0.597 nan 8.210 nan 0.000 0.478 197 A N 4.960 127.800 122.820 0.033 0.000 2.280 197 A HA 0.636 4.957 4.320 0.001 0.000 0.320 197 A C -0.036 177.555 177.584 0.012 0.000 1.366 197 A CA -0.279 51.785 52.037 0.046 0.000 0.938 197 A CB 0.708 19.727 19.000 0.030 0.000 1.157 197 A HN 0.574 nan 8.150 nan 0.000 0.536 198 S N 2.198 117.942 115.700 0.073 0.000 2.653 198 S HA 0.236 4.707 4.470 0.001 0.000 0.268 198 S C 0.636 175.306 174.600 0.117 0.000 1.153 198 S CA -0.511 57.711 58.200 0.035 0.000 1.036 198 S CB 0.877 64.001 63.200 -0.127 0.000 1.103 198 S HN 0.791 nan 8.310 nan 0.000 0.466 199 K N 2.557 122.982 120.400 0.043 0.000 2.032 199 K HA -0.113 4.208 4.320 0.001 0.000 0.209 199 K C 1.886 178.516 176.600 0.049 0.000 1.048 199 K CA 2.411 58.710 56.287 0.020 0.000 0.927 199 K CB -0.318 32.179 32.500 -0.005 0.000 0.712 199 K HN 0.682 nan 8.250 nan 0.000 0.441 200 S N -0.646 115.087 115.700 0.054 0.000 2.446 200 S HA -0.067 4.403 4.470 0.001 0.000 0.225 200 S C 0.880 175.574 174.600 0.158 0.000 1.016 200 S CA 0.432 58.674 58.200 0.070 0.000 0.943 200 S CB -0.349 62.871 63.200 0.033 0.000 0.786 200 S HN 0.424 nan 8.310 nan 0.000 0.508 201 F N 2.058 121.977 119.950 -0.051 0.000 3.084 201 F HA -0.246 4.281 4.527 0.001 0.000 0.286 201 F C 0.940 176.716 175.800 -0.039 0.000 0.855 201 F CA 0.640 58.604 58.000 -0.060 0.000 1.091 201 F CB -1.658 37.305 39.000 -0.061 0.000 1.177 201 F HN 0.492 nan 8.300 nan 0.000 0.542 202 S N -2.613 113.070 115.700 -0.029 0.000 3.031 202 S HA 0.309 4.779 4.470 0.001 0.000 0.253 202 S C 0.209 174.775 174.600 -0.056 0.000 0.996 202 S CA 0.066 58.248 58.200 -0.030 0.000 1.098 202 S CB 0.371 63.587 63.200 0.027 0.000 1.042 202 S HN 0.138 nan 8.310 nan 0.000 0.593 203 T N 3.299 117.794 114.554 -0.099 0.000 2.794 203 T HA 0.239 4.590 4.350 0.001 0.000 0.296 203 T C 1.019 175.667 174.700 -0.086 0.000 0.949 203 T CA -0.320 61.732 62.100 -0.081 0.000 1.101 203 T CB 1.110 69.923 68.868 -0.091 0.000 0.905 203 T HN 0.198 nan 8.240 nan 0.000 0.516 204 E N 2.877 123.045 120.200 -0.053 0.000 2.118 204 E HA -0.159 4.192 4.350 0.001 0.000 0.195 204 E C 1.779 178.348 176.600 -0.053 0.000 0.992 204 E CA 1.372 57.745 56.400 -0.045 0.000 0.804 204 E CB 0.149 29.834 29.700 -0.024 0.000 0.741 204 E HN 0.688 nan 8.360 nan 0.000 0.458 205 E N -0.002 120.165 120.200 -0.056 0.000 2.077 205 E HA -0.107 4.244 4.350 0.001 0.000 0.193 205 E C 2.127 178.682 176.600 -0.074 0.000 0.989 205 E CA 1.608 57.975 56.400 -0.055 0.000 0.800 205 E CB -0.317 29.352 29.700 -0.051 0.000 0.746 205 E HN 0.120 nan 8.360 nan 0.000 0.452 206 T N 0.872 115.362 114.554 -0.107 0.000 2.857 206 T HA -0.037 4.314 4.350 0.001 0.000 0.266 206 T C 1.852 176.440 174.700 -0.187 0.000 1.048 206 T CA 0.643 62.651 62.100 -0.152 0.000 1.139 206 T CB -0.186 68.563 68.868 -0.197 0.000 0.874 206 T HN 0.028 nan 8.240 nan 0.000 0.455 207 L N 0.179 121.298 121.223 -0.174 0.000 1.989 207 L HA -0.104 4.237 4.340 0.001 0.000 0.211 207 L C 2.365 179.215 176.870 -0.033 0.000 1.071 207 L CA 1.059 55.824 54.840 -0.125 0.000 0.749 207 L CB -0.560 41.451 42.059 -0.080 0.000 0.890 207 L HN 0.197 nan 8.230 nan 0.000 0.431 208 L N -0.293 120.913 121.223 -0.028 0.000 2.056 208 L HA -0.184 4.157 4.340 0.001 0.000 0.207 208 L C 2.352 179.225 176.870 0.006 0.000 1.078 208 L CA 1.545 56.384 54.840 -0.001 0.000 0.749 208 L CB -0.921 41.132 42.059 -0.010 0.000 0.901 208 L HN 0.262 nan 8.230 nan 0.000 0.433 209 N N -0.786 117.901 118.700 -0.021 0.000 2.120 209 N HA -0.151 4.589 4.740 0.001 0.000 0.188 209 N C 2.047 177.575 175.510 0.031 0.000 1.024 209 N CA 1.590 54.629 53.050 -0.019 0.000 0.852 209 N CB -0.294 38.164 38.487 -0.048 0.000 1.003 209 N HN 0.468 nan 8.380 nan 0.000 0.424 210 S N 0.574 116.292 115.700 0.029 0.000 2.368 210 S HA 0.011 4.481 4.470 0.001 0.000 0.224 210 S C 2.166 176.942 174.600 0.293 0.000 1.029 210 S CA 0.509 58.781 58.200 0.120 0.000 0.988 210 S CB -0.575 62.526 63.200 -0.165 0.000 0.838 210 S HN 0.218 nan 8.310 nan 0.000 0.462 211 I N 1.986 122.700 120.570 0.240 0.000 2.179 211 I HA -0.150 4.021 4.170 0.001 0.000 0.242 211 I C 2.716 178.924 176.117 0.153 0.000 1.088 211 I CA 1.308 62.726 61.300 0.197 0.000 1.357 211 I CB -0.521 37.554 38.000 0.126 0.000 1.051 211 I HN 0.290 nan 8.210 nan 0.000 0.409 212 S N 0.644 116.415 115.700 0.118 0.000 2.382 212 S HA -0.151 4.319 4.470 0.001 0.000 0.228 212 S C 2.213 176.914 174.600 0.167 0.000 1.027 212 S CA 1.300 59.564 58.200 0.105 0.000 0.991 212 S CB -0.324 62.901 63.200 0.042 0.000 0.823 212 S HN 0.545 nan 8.310 nan 0.000 0.469 213 A N 1.718 124.655 122.820 0.197 0.000 1.930 213 A HA -0.071 4.250 4.320 0.001 0.000 0.217 213 A C 2.070 179.980 177.584 0.544 0.000 1.175 213 A CA 1.387 53.596 52.037 0.287 0.000 0.627 213 A CB -0.495 18.652 19.000 0.244 0.000 0.815 213 A HN 0.437 nan 8.150 nan 0.000 0.443 214 R N -0.045 120.767 120.500 0.520 0.000 2.081 214 R HA -0.152 4.189 4.340 0.001 0.000 0.235 214 R C 1.943 178.415 176.300 0.286 0.000 1.131 214 R CA 1.753 58.113 56.100 0.434 0.000 0.960 214 R CB -0.281 30.087 30.300 0.113 0.000 0.856 214 R HN 0.669 nan 8.270 nan 0.000 0.436 215 E N -0.667 119.667 120.200 0.224 0.000 2.110 215 E HA -0.242 4.108 4.350 0.001 0.000 0.193 215 E C 1.549 178.286 176.600 0.229 0.000 0.988 215 E CA 1.411 57.912 56.400 0.168 0.000 0.804 215 E CB -0.264 29.513 29.700 0.127 0.000 0.745 215 E HN 0.489 nan 8.360 nan 0.000 0.458 216 W N 1.382 122.725 121.300 0.072 0.000 2.358 216 W HA -0.201 4.459 4.660 0.001 0.000 0.303 216 W C 1.966 178.527 176.519 0.069 0.000 1.208 216 W CA 1.075 58.451 57.345 0.052 0.000 1.274 216 W CB -0.346 29.129 29.460 0.025 0.000 1.138 216 W HN 0.060 nan 8.180 nan 0.000 0.515 217 L N 0.748 122.084 121.223 0.188 0.000 2.017 217 L HA -0.149 4.191 4.340 0.001 0.000 0.208 217 L C 2.383 179.269 176.870 0.027 0.000 1.073 217 L CA 2.024 56.822 54.840 -0.070 0.000 0.745 217 L CB -0.841 41.359 42.059 0.236 0.000 0.894 217 L HN 0.108 nan 8.230 nan 0.000 0.432 218 L N -0.834 120.446 121.223 0.096 0.000 2.217 218 L HA -0.140 4.201 4.340 0.001 0.000 0.211 218 L C 2.133 179.017 176.870 0.023 0.000 1.107 218 L CA 1.200 56.080 54.840 0.067 0.000 0.783 218 L CB -0.736 41.347 42.059 0.039 0.000 0.919 218 L HN 0.380 nan 8.230 nan 0.000 0.442 219 D N -0.348 120.056 120.400 0.007 0.000 2.149 219 D HA -0.288 4.353 4.640 0.001 0.000 0.198 219 D C 2.070 178.326 176.300 -0.074 0.000 0.990 219 D CA 1.508 55.495 54.000 -0.021 0.000 0.839 219 D CB 0.168 40.970 40.800 0.003 0.000 0.948 219 D HN 0.363 nan 8.370 nan 0.000 0.460 220 H N -1.677 117.249 119.070 -0.240 0.000 2.284 220 H HA -0.068 4.489 4.556 0.001 0.000 0.304 220 H C 1.409 176.601 175.328 -0.227 0.000 1.069 220 H CA 1.814 57.661 56.048 -0.334 0.000 1.327 220 H CB -0.339 29.052 29.762 -0.619 0.000 1.387 220 H HN 0.194 nan 8.280 nan 0.000 0.498 221 Y N 0.617 120.816 120.300 -0.168 0.000 2.420 221 Y HA 0.041 4.591 4.550 0.001 0.000 0.292 221 Y C 0.745 176.579 175.900 -0.111 0.000 1.119 221 Y CA 1.096 59.116 58.100 -0.133 0.000 1.229 221 Y CB 0.164 38.602 38.460 -0.036 0.000 1.026 221 Y HN 0.341 nan 8.280 nan 0.000 0.554 222 E N 0.318 120.550 120.200 0.053 0.000 2.586 222 E HA -0.258 4.093 4.350 0.001 0.000 0.259 222 E C -0.817 175.787 176.600 0.007 0.000 1.107 222 E CA 0.792 57.197 56.400 0.009 0.000 0.754 222 E CB -1.249 28.441 29.700 -0.017 0.000 1.335 222 E HN 0.278 nan 8.360 nan 0.000 0.411 223 D N -0.574 119.812 120.400 -0.024 0.000 2.613 223 D HA 0.156 4.796 4.640 0.001 0.000 0.230 223 D C 0.347 176.505 176.300 -0.238 0.000 1.365 223 D CA -0.360 53.578 54.000 -0.104 0.000 0.976 223 D CB 1.145 41.904 40.800 -0.067 0.000 1.415 223 D HN 0.004 nan 8.370 nan 0.000 0.589 224 E N 1.659 121.754 120.200 -0.175 0.000 2.209 224 E HA -0.169 4.181 4.350 0.001 0.000 0.196 224 E C 1.253 177.690 176.600 -0.271 0.000 0.993 224 E CA 1.172 57.460 56.400 -0.187 0.000 0.819 224 E CB 0.342 29.963 29.700 -0.130 0.000 0.745 224 E HN 0.397 nan 8.360 nan 0.000 0.477 225 K N -0.163 120.028 120.400 -0.347 0.000 2.280 225 K HA -0.114 4.207 4.320 0.001 0.000 0.202 225 K C 1.981 178.140 176.600 -0.734 0.000 1.047 225 K CA 0.870 56.921 56.287 -0.392 0.000 0.942 225 K CB -0.029 32.359 32.500 -0.186 0.000 0.739 225 K HN 0.085 nan 8.250 nan 0.000 0.457 226 A N 1.033 123.131 122.820 -1.203 0.000 2.070 226 A HA -0.097 4.223 4.320 0.001 0.000 0.220 226 A C 2.253 179.687 177.584 -0.249 0.000 1.159 226 A CA 1.033 52.398 52.037 -1.120 0.000 0.656 226 A CB -0.511 17.685 19.000 -1.340 0.000 0.800 226 A HN 0.070 nan 8.150 nan 0.000 0.453 227 V N -0.078 119.766 119.914 -0.116 0.000 2.380 227 V HA -0.342 3.779 4.120 0.001 0.000 0.251 227 V C 3.010 179.200 176.094 0.159 0.000 1.063 227 V CA 1.967 64.365 62.300 0.164 0.000 1.055 227 V CB -1.203 30.644 31.823 0.040 0.000 0.657 227 V HN 0.636 nan 8.190 nan 0.000 0.455 228 A N 0.404 123.203 122.820 -0.035 0.000 1.933 228 A HA -0.236 4.085 4.320 0.001 0.000 0.218 228 A C 1.912 179.526 177.584 0.051 0.000 1.175 228 A CA 2.323 54.281 52.037 -0.132 0.000 0.628 228 A CB -0.625 18.295 19.000 -0.134 0.000 0.814 228 A HN 0.657 nan 8.150 nan 0.000 0.444 229 N N -1.278 117.462 118.700 0.066 0.000 2.353 229 N HA 0.048 4.789 4.740 0.001 0.000 0.185 229 N C 0.872 176.422 175.510 0.067 0.000 1.098 229 N CA 0.579 53.630 53.050 0.001 0.000 0.872 229 N CB 0.146 38.527 38.487 -0.176 0.000 0.970 229 N HN 0.585 nan 8.380 nan 0.000 0.467 230 H N -1.790 117.498 119.070 0.364 0.000 3.058 230 H HA 0.282 4.838 4.556 0.001 0.000 0.266 230 H C -0.710 174.616 175.328 -0.003 0.000 1.135 230 H CA 0.005 56.175 56.048 0.204 0.000 1.174 230 H CB 0.688 30.520 29.762 0.117 0.000 1.581 230 H HN 0.045 nan 8.280 nan 0.000 0.553 231 F N 1.269 121.430 119.950 0.352 0.000 2.556 231 F HA 0.382 4.910 4.527 0.001 0.000 0.314 231 F C 0.092 176.098 175.800 0.343 0.000 1.106 231 F CA -1.157 57.017 58.000 0.289 0.000 0.911 231 F CB 2.143 41.309 39.000 0.277 0.000 1.190 231 F HN -0.235 nan 8.300 nan 0.000 0.448 232 V N 0.066 120.251 119.914 0.452 0.000 3.074 232 V HA 1.034 5.154 4.120 0.001 0.000 0.314 232 V C -0.991 175.321 176.094 0.364 0.000 1.117 232 V CA -1.069 61.496 62.300 0.443 0.000 1.014 232 V CB 1.482 33.526 31.823 0.368 0.000 1.057 232 V HN 0.999 nan 8.190 nan 0.000 0.438 233 A N 2.228 125.250 122.820 0.337 0.000 2.454 233 A HA 0.948 5.269 4.320 0.001 0.000 0.302 233 A C -0.987 176.730 177.584 0.221 0.000 1.079 233 A CA -0.774 51.414 52.037 0.251 0.000 0.731 233 A CB 1.545 20.611 19.000 0.111 0.000 1.299 233 A HN 0.976 nan 8.150 nan 0.000 0.413 234 I N 1.254 121.930 120.570 0.177 0.000 2.439 234 I HA 0.601 4.772 4.170 0.001 0.000 0.285 234 I C 0.010 176.165 176.117 0.063 0.000 1.021 234 I CA -0.176 61.185 61.300 0.102 0.000 1.091 234 I CB 1.842 39.886 38.000 0.073 0.000 1.242 234 I HN 0.554 nan 8.210 nan 0.000 0.439 235 S N 2.308 117.977 115.700 -0.051 0.000 2.588 235 S HA 0.349 4.819 4.470 0.001 0.000 0.269 235 S C 0.464 174.959 174.600 -0.175 0.000 1.157 235 S CA -0.096 58.067 58.200 -0.061 0.000 0.824 235 S CB 1.760 64.906 63.200 -0.089 0.000 1.126 235 S HN 0.682 nan 8.310 nan 0.000 0.464 236 S N 1.057 116.670 115.700 -0.145 0.000 2.548 236 S HA 0.296 4.767 4.470 0.001 0.000 0.215 236 S C 0.047 174.573 174.600 -0.123 0.000 0.976 236 S CA -0.035 58.053 58.200 -0.187 0.000 0.908 236 S CB -0.102 63.009 63.200 -0.148 0.000 0.781 236 S HN 0.444 nan 8.310 nan 0.000 0.519 237 K N 1.714 122.054 120.400 -0.099 0.000 2.602 237 K HA 0.392 4.713 4.320 0.001 0.000 0.201 237 K C -0.206 176.300 176.600 -0.156 0.000 1.070 237 K CA -0.292 55.949 56.287 -0.076 0.000 1.026 237 K CB 0.822 33.323 32.500 0.003 0.000 1.534 237 K HN 0.172 nan 8.250 nan 0.000 0.560 238 L N 0.696 121.826 121.223 -0.155 0.000 2.141 238 L HA -0.151 4.190 4.340 0.001 0.000 0.209 238 L C 1.440 178.217 176.870 -0.156 0.000 1.094 238 L CA 1.559 56.286 54.840 -0.189 0.000 0.763 238 L CB -0.208 41.764 42.059 -0.145 0.000 0.908 238 L HN 0.333 nan 8.230 nan 0.000 0.437 239 D N -0.119 120.225 120.400 -0.093 0.000 2.178 239 D HA -0.167 4.474 4.640 0.001 0.000 0.201 239 D C 2.121 178.389 176.300 -0.054 0.000 0.980 239 D CA 1.014 54.980 54.000 -0.057 0.000 0.842 239 D CB 0.006 40.793 40.800 -0.022 0.000 0.948 239 D HN 0.327 nan 8.370 nan 0.000 0.472 240 K N 0.147 120.506 120.400 -0.068 0.000 2.217 240 K HA -0.002 4.318 4.320 0.001 0.000 0.202 240 K C 2.071 178.612 176.600 -0.099 0.000 1.051 240 K CA 0.242 56.528 56.287 -0.001 0.000 0.952 240 K CB 0.281 32.846 32.500 0.109 0.000 0.736 240 K HN 0.015 nan 8.250 nan 0.000 0.453 241 V N 1.718 121.364 119.914 -0.447 0.000 2.358 241 V HA -0.219 3.901 4.120 0.001 0.000 0.246 241 V C 2.274 178.297 176.094 -0.119 0.000 1.047 241 V CA 1.545 63.490 62.300 -0.591 0.000 1.035 241 V CB -0.359 31.030 31.823 -0.724 0.000 0.658 241 V HN 0.185 nan 8.190 nan 0.000 0.452 242 K N 1.030 121.375 120.400 -0.093 0.000 2.097 242 K HA -0.207 4.113 4.320 0.001 0.000 0.206 242 K C 2.092 178.705 176.600 0.021 0.000 1.049 242 K CA 1.856 58.128 56.287 -0.025 0.000 0.933 242 K CB -0.524 31.956 32.500 -0.035 0.000 0.717 242 K HN 0.570 nan 8.250 nan 0.000 0.442 243 E N -1.198 119.025 120.200 0.038 0.000 2.160 243 E HA -0.200 4.150 4.350 0.001 0.000 0.195 243 E C 1.660 178.325 176.600 0.109 0.000 0.991 243 E CA 1.100 57.539 56.400 0.065 0.000 0.810 243 E CB -0.279 29.468 29.700 0.079 0.000 0.742 243 E HN 0.392 nan 8.360 nan 0.000 0.466 244 F N -0.516 119.454 119.950 0.032 0.000 2.502 244 F HA 0.103 4.630 4.527 0.001 0.000 0.298 244 F C 1.287 177.063 175.800 -0.040 0.000 1.111 244 F CA 1.411 59.434 58.000 0.038 0.000 1.445 244 F CB 0.539 39.655 39.000 0.194 0.000 1.081 244 F HN 0.159 nan 8.300 nan 0.000 0.558 245 G N 0.950 109.769 108.800 0.032 0.000 2.175 245 G HA2 -0.186 3.774 3.960 0.001 0.000 0.182 245 G HA3 -0.186 3.774 3.960 0.001 0.000 0.182 245 G C 0.012 174.909 174.900 -0.007 0.000 1.003 245 G CA -0.054 45.004 45.100 -0.069 0.000 0.666 245 G HN 0.286 nan 8.290 nan 0.000 0.506 246 I N 2.307 122.929 120.570 0.088 0.000 2.377 246 I HA 0.397 4.568 4.170 0.001 0.000 0.293 246 I C 0.222 176.351 176.117 0.020 0.000 0.987 246 I CA -0.960 60.377 61.300 0.061 0.000 1.185 246 I CB 1.410 39.502 38.000 0.153 0.000 1.341 246 I HN 0.297 nan 8.210 nan 0.000 0.455 247 D N 5.771 126.174 120.400 0.005 0.000 2.383 247 D HA 0.162 4.802 4.640 0.001 0.000 0.248 247 D C 0.891 177.233 176.300 0.071 0.000 1.170 247 D CA -0.452 53.571 54.000 0.038 0.000 0.977 247 D CB 0.948 41.776 40.800 0.046 0.000 1.120 247 D HN 0.401 nan 8.370 nan 0.000 0.481 248 L N -0.401 120.835 121.223 0.023 0.000 2.131 248 L HA -0.159 4.182 4.340 0.001 0.000 0.210 248 L C 1.949 178.795 176.870 -0.040 0.000 1.092 248 L CA 1.372 56.195 54.840 -0.027 0.000 0.759 248 L CB -0.501 41.534 42.059 -0.040 0.000 0.903 248 L HN 0.401 nan 8.230 nan 0.000 0.435 249 E N -0.897 119.323 120.200 0.032 0.000 2.268 249 E HA -0.162 4.188 4.350 0.001 0.000 0.195 249 E C 1.273 177.815 176.600 -0.097 0.000 0.995 249 E CA 1.009 57.392 56.400 -0.029 0.000 0.836 249 E CB -0.211 29.502 29.700 0.021 0.000 0.763 249 E HN 0.533 nan 8.360 nan 0.000 0.491 250 H N -1.913 117.161 119.070 0.006 0.000 2.505 250 H HA 0.307 4.864 4.556 0.001 0.000 0.289 250 H C -0.639 174.732 175.328 0.071 0.000 1.052 250 H CA -0.433 55.708 56.048 0.155 0.000 1.156 250 H CB 0.174 30.087 29.762 0.252 0.000 1.507 250 H HN -0.000 nan 8.280 nan 0.000 0.548 251 C N 1.142 120.371 119.300 -0.118 0.000 2.351 251 C HA 0.443 4.903 4.460 0.001 0.000 0.326 251 C C -0.559 174.140 174.990 -0.484 0.000 1.272 251 C CA -0.704 58.220 59.018 -0.157 0.000 1.650 251 C CB -0.438 27.205 27.740 -0.162 0.000 2.257 251 C HN 0.426 nan 8.230 nan 0.000 0.505 252 Y N 1.583 121.849 120.300 -0.057 0.000 2.409 252 Y HA 0.538 5.089 4.550 0.001 0.000 0.343 252 Y C 0.209 175.999 175.900 -0.183 0.000 0.973 252 Y CA -0.666 57.380 58.100 -0.091 0.000 1.064 252 Y CB 1.209 39.635 38.460 -0.058 0.000 1.207 252 Y HN 0.478 nan 8.280 nan 0.000 0.452 253 K N 3.949 124.239 120.400 -0.184 0.000 2.110 253 K HA 0.696 5.016 4.320 0.001 0.000 0.263 253 K C -0.919 175.225 176.600 -0.761 0.000 0.975 253 K CA -0.454 55.548 56.287 -0.476 0.000 0.895 253 K CB 0.761 32.931 32.500 -0.550 0.000 1.060 253 K HN 0.748 nan 8.250 nan 0.000 0.448 254 M N 0.340 119.432 119.600 -0.846 0.000 2.719 254 M HA 0.666 5.146 4.480 0.001 0.000 0.291 254 M C -1.010 174.636 176.300 -1.090 0.000 1.264 254 M CA -0.870 53.823 55.300 -1.012 0.000 0.811 254 M CB 1.711 34.080 32.600 -0.386 0.000 1.756 254 M HN 0.324 nan 8.290 nan 0.000 0.464 255 W N -0.058 120.940 121.300 -0.502 0.000 2.820 255 W HA 0.326 4.986 4.660 0.001 0.000 0.350 255 W C -0.116 176.058 176.519 -0.575 0.000 1.116 255 W CA -0.362 56.565 57.345 -0.696 0.000 1.146 255 W CB 1.089 29.620 29.460 -1.548 0.000 1.433 255 W HN 0.740 nan 8.180 nan 0.000 0.561 256 D N 0.434 120.731 120.400 -0.173 0.000 2.190 256 D HA -0.177 4.464 4.640 0.001 0.000 0.200 256 D C 1.942 178.280 176.300 0.063 0.000 0.992 256 D CA 1.652 55.641 54.000 -0.018 0.000 0.854 256 D CB -0.182 40.672 40.800 0.091 0.000 0.936 256 D HN 0.486 nan 8.370 nan 0.000 0.462 257 W N 0.424 121.832 121.300 0.180 0.000 3.180 257 W HA 0.242 4.903 4.660 0.001 0.000 0.254 257 W C -0.467 176.134 176.519 0.138 0.000 1.318 257 W CA -0.237 57.173 57.345 0.108 0.000 1.608 257 W CB -0.336 29.146 29.460 0.038 0.000 1.124 257 W HN -0.291 nan 8.180 nan 0.000 0.694 258 V N 2.825 122.873 119.914 0.222 0.000 2.304 258 V HA 0.411 4.532 4.120 0.001 0.000 0.269 258 V C 1.030 177.259 176.094 0.225 0.000 1.036 258 V CA -0.605 61.864 62.300 0.283 0.000 0.840 258 V CB 0.216 32.145 31.823 0.178 0.000 1.036 258 V HN 0.145 nan 8.190 nan 0.000 0.466 259 G N 3.300 112.281 108.800 0.301 0.000 2.441 259 G HA2 0.366 4.326 3.960 0.001 0.000 0.243 259 G HA3 0.366 4.326 3.960 0.001 0.000 0.243 259 G C 1.143 176.159 174.900 0.194 0.000 1.281 259 G CA 0.207 45.470 45.100 0.272 0.000 0.854 259 G HN 0.867 nan 8.290 nan 0.000 0.560 260 G N 1.986 110.833 108.800 0.079 0.000 2.476 260 G HA2 -0.293 3.668 3.960 0.001 0.000 0.218 260 G HA3 -0.293 3.668 3.960 0.001 0.000 0.218 260 G C 1.697 176.574 174.900 -0.039 0.000 1.164 260 G CA 0.975 46.084 45.100 0.016 0.000 0.768 260 G HN 0.808 nan 8.290 nan 0.000 0.560 261 R N -0.932 119.474 120.500 -0.157 0.000 2.339 261 R HA 0.111 4.451 4.340 0.001 0.000 0.199 261 R C 0.387 176.331 176.300 -0.594 0.000 1.018 261 R CA 0.643 56.494 56.100 -0.415 0.000 1.036 261 R CB -0.269 29.687 30.300 -0.572 0.000 0.899 261 R HN 0.443 nan 8.270 nan 0.000 0.473 262 Y N 0.440 120.755 120.300 0.024 0.000 2.715 262 Y HA 0.220 4.770 4.550 0.001 0.000 0.255 262 Y C 1.186 177.247 175.900 0.268 0.000 1.139 262 Y CA -0.470 57.682 58.100 0.086 0.000 1.151 262 Y CB 1.122 39.425 38.460 -0.261 0.000 1.201 262 Y HN 0.196 nan 8.280 nan 0.000 0.556 263 S N -0.792 115.052 115.700 0.240 0.000 2.524 263 S HA -0.010 4.461 4.470 0.001 0.000 0.215 263 S C 1.621 176.286 174.600 0.109 0.000 0.986 263 S CA 0.065 58.396 58.200 0.219 0.000 0.911 263 S CB -0.516 62.762 63.200 0.129 0.000 0.805 263 S HN 0.418 nan 8.310 nan 0.000 0.501 264 L N -1.345 119.806 121.223 -0.119 0.000 2.265 264 L HA 0.289 4.629 4.340 0.001 0.000 0.215 264 L C 1.836 178.630 176.870 -0.127 0.000 1.117 264 L CA 0.928 55.625 54.840 -0.239 0.000 0.782 264 L CB -1.544 40.225 42.059 -0.483 0.000 0.914 264 L HN 0.364 nan 8.230 nan 0.000 0.441 265 W N 0.904 122.343 121.300 0.233 0.000 2.595 265 W HA 0.168 4.829 4.660 0.001 0.000 0.257 265 W C 1.905 178.653 176.519 0.383 0.000 1.267 265 W CA 0.431 57.922 57.345 0.244 0.000 1.300 265 W CB -0.826 28.742 29.460 0.181 0.000 1.120 265 W HN 0.356 nan 8.180 nan 0.000 0.618 266 S N -0.650 115.345 115.700 0.491 0.000 2.607 266 S HA 0.227 4.697 4.470 0.001 0.000 0.272 266 S C 1.384 176.145 174.600 0.268 0.000 1.166 266 S CA -0.060 58.381 58.200 0.401 0.000 1.021 266 S CB 0.792 64.173 63.200 0.302 0.000 1.113 266 S HN -0.034 nan 8.310 nan 0.000 0.531 267 S N 0.496 116.287 115.700 0.152 0.000 2.440 267 S HA -0.043 4.427 4.470 0.001 0.000 0.238 267 S C 1.723 176.314 174.600 -0.013 0.000 1.010 267 S CA 0.717 58.941 58.200 0.039 0.000 0.972 267 S CB -0.673 62.544 63.200 0.028 0.000 0.774 267 S HN 0.558 nan 8.310 nan 0.000 0.501 268 I N 1.495 122.082 120.570 0.027 0.000 2.423 268 I HA -0.140 4.031 4.170 0.001 0.000 0.254 268 I C 2.345 178.460 176.117 -0.004 0.000 1.151 268 I CA 1.130 62.440 61.300 0.017 0.000 1.421 268 I CB -1.634 36.387 38.000 0.035 0.000 1.079 268 I HN 0.338 nan 8.210 nan 0.000 0.431 269 G N 1.081 109.876 108.800 -0.007 0.000 2.956 269 G HA2 -0.084 3.877 3.960 0.001 0.000 0.207 269 G HA3 -0.084 3.877 3.960 0.001 0.000 0.207 269 G C 1.631 176.344 174.900 -0.313 0.000 1.162 269 G CA 0.288 45.347 45.100 -0.067 0.000 0.796 269 G HN 0.510 nan 8.290 nan 0.000 0.527 270 M N 0.897 120.335 119.600 -0.271 0.000 2.108 270 M HA -0.107 4.374 4.480 0.001 0.000 0.261 270 M C 2.514 178.704 176.300 -0.183 0.000 1.066 270 M CA 2.279 57.365 55.300 -0.356 0.000 1.107 270 M CB -0.687 31.727 32.600 -0.310 0.000 1.356 270 M HN 0.128 nan 8.290 nan 0.000 0.406 271 S N 1.094 116.800 115.700 0.011 0.000 2.400 271 S HA -0.108 4.363 4.470 0.001 0.000 0.232 271 S C 1.818 176.459 174.600 0.068 0.000 1.025 271 S CA 1.497 59.762 58.200 0.109 0.000 0.993 271 S CB -1.221 62.009 63.200 0.050 0.000 0.808 271 S HN 0.662 nan 8.310 nan 0.000 0.478 272 I N 2.309 122.881 120.570 0.002 0.000 2.202 272 I HA -0.126 4.044 4.170 0.001 0.000 0.242 272 I C 3.092 179.174 176.117 -0.058 0.000 1.091 272 I CA 1.161 62.468 61.300 0.012 0.000 1.368 272 I CB -0.717 37.333 38.000 0.083 0.000 1.058 272 I HN 0.411 nan 8.210 nan 0.000 0.410 273 A N 0.547 123.217 122.820 -0.249 0.000 1.940 273 A HA -0.209 4.111 4.320 0.001 0.000 0.219 273 A C 2.045 179.526 177.584 -0.173 0.000 1.176 273 A CA 1.543 53.421 52.037 -0.265 0.000 0.631 273 A CB -0.939 17.786 19.000 -0.460 0.000 0.814 273 A HN 0.356 nan 8.150 nan 0.000 0.446 274 F N -0.208 119.649 119.950 -0.156 0.000 2.365 274 F HA 0.018 4.546 4.527 0.001 0.000 0.300 274 F C 2.523 178.223 175.800 -0.166 0.000 1.090 274 F CA 0.579 58.485 58.000 -0.156 0.000 1.408 274 F CB -0.248 38.635 39.000 -0.196 0.000 1.060 274 F HN 0.286 nan 8.300 nan 0.000 0.534 275 A N 0.169 122.965 122.820 -0.040 0.000 1.887 275 A HA 0.076 4.396 4.320 0.001 0.000 0.212 275 A C 1.963 179.445 177.584 -0.170 0.000 1.198 275 A CA 1.244 53.116 52.037 -0.275 0.000 0.628 275 A CB -0.706 17.958 19.000 -0.560 0.000 0.847 275 A HN 0.380 nan 8.150 nan 0.000 0.449 276 I N -4.064 116.481 120.570 -0.041 0.000 3.956 276 I HA 0.517 4.688 4.170 0.001 0.000 0.333 276 I C 0.805 176.972 176.117 0.083 0.000 1.302 276 I CA 0.262 61.611 61.300 0.082 0.000 1.122 276 I CB -0.175 37.907 38.000 0.137 0.000 1.013 276 I HN 0.431 nan 8.210 nan 0.000 0.405 277 G N 1.244 110.072 108.800 0.046 0.000 2.733 277 G HA2 -0.338 3.623 3.960 0.001 0.000 0.686 277 G HA3 -0.338 3.623 3.960 0.001 0.000 0.686 277 G C -0.295 174.646 174.900 0.069 0.000 1.373 277 G CA 0.132 45.270 45.100 0.063 0.000 0.838 277 G HN 0.319 nan 8.290 nan 0.000 0.588 278 Y N 0.577 120.882 120.300 0.009 0.000 2.242 278 Y HA -0.060 4.491 4.550 0.001 0.000 0.291 278 Y C 2.677 178.656 175.900 0.132 0.000 1.137 278 Y CA 2.467 60.601 58.100 0.058 0.000 1.181 278 Y CB 0.099 38.556 38.460 -0.006 0.000 0.989 278 Y HN 0.629 nan 8.280 nan 0.000 0.527 279 D N -0.289 120.212 120.400 0.170 0.000 2.123 279 D HA -0.206 4.435 4.640 0.001 0.000 0.196 279 D C 1.716 178.051 176.300 0.057 0.000 0.992 279 D CA 1.362 55.437 54.000 0.124 0.000 0.833 279 D CB -0.384 40.485 40.800 0.116 0.000 0.954 279 D HN 0.362 nan 8.370 nan 0.000 0.455 280 N N -0.037 118.694 118.700 0.052 0.000 2.244 280 N HA -0.126 4.614 4.740 0.001 0.000 0.183 280 N C 1.672 177.171 175.510 -0.019 0.000 1.016 280 N CA 0.231 53.292 53.050 0.017 0.000 0.866 280 N CB -0.452 38.057 38.487 0.037 0.000 0.980 280 N HN 0.176 nan 8.380 nan 0.000 0.430 281 F N 2.481 122.308 119.950 -0.204 0.000 2.134 281 F HA -0.114 4.414 4.527 0.001 0.000 0.299 281 F C 2.118 177.784 175.800 -0.223 0.000 1.097 281 F CA 1.369 59.196 58.000 -0.289 0.000 1.264 281 F CB -0.064 38.602 39.000 -0.556 0.000 1.001 281 F HN 0.042 nan 8.300 nan 0.000 0.479 282 E N 0.085 120.158 120.200 -0.212 0.000 2.110 282 E HA -0.226 4.124 4.350 0.001 0.000 0.193 282 E C 2.115 178.675 176.600 -0.066 0.000 0.988 282 E CA 1.338 57.670 56.400 -0.113 0.000 0.804 282 E CB -0.183 29.546 29.700 0.049 0.000 0.745 282 E HN 0.496 nan 8.360 nan 0.000 0.458 283 K N 0.630 121.015 120.400 -0.025 0.000 2.057 283 K HA -0.136 4.184 4.320 0.001 0.000 0.206 283 K C 2.269 178.884 176.600 0.026 0.000 1.050 283 K CA 0.659 56.987 56.287 0.068 0.000 0.935 283 K CB -0.211 32.332 32.500 0.072 0.000 0.715 283 K HN 0.015 nan 8.250 nan 0.000 0.439 284 L N 1.299 122.469 121.223 -0.087 0.000 2.013 284 L HA -0.227 4.114 4.340 0.001 0.000 0.212 284 L C 1.882 178.742 176.870 -0.017 0.000 1.073 284 L CA 1.661 56.448 54.840 -0.088 0.000 0.753 284 L CB -0.382 41.562 42.059 -0.191 0.000 0.890 284 L HN 0.034 nan 8.230 nan 0.000 0.432 285 L N -0.152 120.993 121.223 -0.130 0.000 2.056 285 L HA -0.089 4.252 4.340 0.001 0.000 0.207 285 L C 2.705 179.551 176.870 -0.040 0.000 1.078 285 L CA 1.942 56.754 54.840 -0.047 0.000 0.749 285 L CB -1.556 40.432 42.059 -0.119 0.000 0.901 285 L HN 0.365 nan 8.230 nan 0.000 0.433 286 A N -0.501 122.313 122.820 -0.010 0.000 1.972 286 A HA -0.083 4.237 4.320 0.001 0.000 0.219 286 A C 2.426 179.897 177.584 -0.188 0.000 1.169 286 A CA 1.582 53.656 52.037 0.061 0.000 0.635 286 A CB -1.262 17.876 19.000 0.231 0.000 0.810 286 A HN 0.435 nan 8.150 nan 0.000 0.446 287 G N -0.523 107.924 108.800 -0.588 0.000 2.402 287 G HA2 0.032 3.992 3.960 0.001 0.000 0.216 287 G HA3 0.032 3.992 3.960 0.001 0.000 0.216 287 G C 1.726 176.379 174.900 -0.412 0.000 1.162 287 G CA 1.310 45.735 45.100 -1.126 0.000 0.777 287 G HN 0.758 nan 8.290 nan 0.000 0.539 288 A N 0.096 122.774 122.820 -0.238 0.000 1.902 288 A HA -0.054 4.267 4.320 0.001 0.000 0.217 288 A C 2.197 179.680 177.584 -0.167 0.000 1.181 288 A CA 1.709 53.587 52.037 -0.265 0.000 0.623 288 A CB -0.740 17.853 19.000 -0.679 0.000 0.818 288 A HN 0.470 nan 8.150 nan 0.000 0.443 289 Y N 2.084 122.280 120.300 -0.173 0.000 2.165 289 Y HA -0.285 4.265 4.550 0.001 0.000 0.286 289 Y C 2.868 178.777 175.900 0.015 0.000 1.155 289 Y CA 1.984 60.052 58.100 -0.054 0.000 1.164 289 Y CB -0.483 37.964 38.460 -0.022 0.000 0.978 289 Y HN 0.448 nan 8.280 nan 0.000 0.513 290 S N -1.167 114.501 115.700 -0.054 0.000 2.383 290 S HA -0.183 4.287 4.470 0.001 0.000 0.229 290 S C 1.991 176.554 174.600 -0.060 0.000 1.030 290 S CA 1.600 59.820 58.200 0.033 0.000 1.002 290 S CB -1.213 62.164 63.200 0.295 0.000 0.829 290 S HN 0.243 nan 8.310 nan 0.000 0.467 291 V N 2.570 122.416 119.914 -0.112 0.000 2.453 291 V HA -0.102 4.019 4.120 0.001 0.000 0.247 291 V C 2.418 178.520 176.094 0.013 0.000 1.048 291 V CA 1.924 64.115 62.300 -0.182 0.000 1.049 291 V CB -0.828 30.925 31.823 -0.118 0.000 0.672 291 V HN 0.429 nan 8.190 nan 0.000 0.457 292 D N 0.221 120.637 120.400 0.027 0.000 2.104 292 D HA -0.218 4.423 4.640 0.001 0.000 0.194 292 D C 2.129 178.384 176.300 -0.075 0.000 0.994 292 D CA 1.578 55.692 54.000 0.189 0.000 0.830 292 D CB -0.187 40.727 40.800 0.190 0.000 0.959 292 D HN 0.407 nan 8.370 nan 0.000 0.452 293 K N -0.242 119.943 120.400 -0.358 0.000 2.057 293 K HA -0.218 4.103 4.320 0.001 0.000 0.207 293 K C 2.199 178.690 176.600 -0.183 0.000 1.049 293 K CA 1.318 57.391 56.287 -0.357 0.000 0.931 293 K CB -0.132 32.108 32.500 -0.435 0.000 0.714 293 K HN 0.163 nan 8.250 nan 0.000 0.440 294 H N -0.494 118.454 119.070 -0.202 0.000 2.289 294 H HA -0.210 4.346 4.556 0.001 0.000 0.296 294 H C 1.832 177.109 175.328 -0.085 0.000 1.091 294 H CA 2.460 58.412 56.048 -0.159 0.000 1.274 294 H CB -0.395 29.161 29.762 -0.343 0.000 1.364 294 H HN 0.294 nan 8.280 nan 0.000 0.490 295 F N 1.405 121.233 119.950 -0.204 0.000 2.113 295 F HA -0.057 4.470 4.527 0.001 0.000 0.297 295 F C 2.473 178.126 175.800 -0.245 0.000 1.103 295 F CA 1.952 59.816 58.000 -0.228 0.000 1.248 295 F CB -0.507 38.367 39.000 -0.211 0.000 0.999 295 F HN 0.146 nan 8.300 nan 0.000 0.475 296 K N 0.059 120.188 120.400 -0.452 0.000 2.147 296 K HA -0.157 4.163 4.320 0.001 0.000 0.205 296 K C 1.622 177.939 176.600 -0.471 0.000 1.049 296 K CA 1.897 57.797 56.287 -0.644 0.000 0.936 296 K CB -0.122 31.809 32.500 -0.948 0.000 0.722 296 K HN 0.423 nan 8.250 nan 0.000 0.446 297 E N -0.567 119.412 120.200 -0.368 0.000 2.473 297 E HA 0.044 4.395 4.350 0.001 0.000 0.204 297 E C -0.419 176.027 176.600 -0.256 0.000 0.994 297 E CA 0.050 56.282 56.400 -0.281 0.000 0.945 297 E CB 1.104 30.675 29.700 -0.215 0.000 0.990 297 E HN 0.078 nan 8.360 nan 0.000 0.493 298 T N 2.489 116.862 114.554 -0.302 0.000 2.799 298 T HA 0.086 4.436 4.350 0.001 0.000 0.286 298 T C -0.147 174.425 174.700 -0.213 0.000 0.973 298 T CA -0.645 61.295 62.100 -0.266 0.000 1.035 298 T CB 1.175 69.790 68.868 -0.422 0.000 0.932 298 T HN 0.159 nan 8.240 nan 0.000 0.469 299 E N 2.849 122.939 120.200 -0.184 0.000 2.481 299 E HA -0.065 4.285 4.350 0.001 0.000 0.263 299 E C 0.020 176.592 176.600 -0.047 0.000 0.992 299 E CA -0.296 55.981 56.400 -0.205 0.000 0.938 299 E CB 0.264 29.872 29.700 -0.155 0.000 0.933 299 E HN 0.402 nan 8.360 nan 0.000 0.453 300 F N 1.785 121.670 119.950 -0.108 0.000 2.161 300 F HA -0.202 4.326 4.527 0.001 0.000 0.300 300 F C 2.736 178.506 175.800 -0.051 0.000 1.089 300 F CA 1.463 59.409 58.000 -0.091 0.000 1.282 300 F CB -1.237 37.712 39.000 -0.085 0.000 1.010 300 F HN 0.628 nan 8.300 nan 0.000 0.485 301 S N -0.590 115.203 115.700 0.155 0.000 2.507 301 S HA -0.122 4.348 4.470 0.001 0.000 0.235 301 S C 1.286 175.966 174.600 0.134 0.000 0.988 301 S CA 0.832 59.108 58.200 0.126 0.000 0.944 301 S CB -0.463 62.794 63.200 0.096 0.000 0.762 301 S HN 0.473 nan 8.310 nan 0.000 0.526 302 K N 0.814 121.277 120.400 0.105 0.000 2.536 302 K HA 0.262 4.582 4.320 0.001 0.000 0.203 302 K C -0.426 176.242 176.600 0.115 0.000 1.063 302 K CA -0.243 56.120 56.287 0.127 0.000 1.063 302 K CB 0.340 32.898 32.500 0.097 0.000 0.843 302 K HN 0.183 nan 8.250 nan 0.000 0.521 303 N N 1.894 120.634 118.700 0.066 0.000 2.469 303 N HA 0.223 4.964 4.740 0.001 0.000 0.253 303 N C 0.722 176.270 175.510 0.064 0.000 0.970 303 N CA -0.089 52.965 53.050 0.007 0.000 0.940 303 N CB 0.785 39.285 38.487 0.023 0.000 1.128 303 N HN 0.023 nan 8.380 nan 0.000 0.503 304 I N 4.700 125.396 120.570 0.210 0.000 2.142 304 I HA -0.146 4.024 4.170 0.001 0.000 0.240 304 I C -0.764 175.113 176.117 -0.399 0.000 1.078 304 I CA 1.039 62.147 61.300 -0.319 0.000 1.343 304 I CB -0.911 36.786 38.000 -0.506 0.000 1.046 304 I HN 0.462 nan 8.210 nan 0.000 0.405 305 P HA -0.112 nan 4.420 nan 0.000 0.217 305 P C 1.950 179.137 177.300 -0.189 0.000 1.150 305 P CA 1.147 64.110 63.100 -0.229 0.000 0.832 305 P CB 0.005 31.560 31.700 -0.242 0.000 0.787 306 V N -0.031 119.824 119.914 -0.098 0.000 2.295 306 V HA -0.221 3.899 4.120 0.001 0.000 0.246 306 V C 2.372 178.335 176.094 -0.219 0.000 1.049 306 V CA 1.570 63.759 62.300 -0.184 0.000 1.024 306 V CB -1.099 30.592 31.823 -0.220 0.000 0.648 306 V HN 0.034 nan 8.190 nan 0.000 0.447 307 I N -0.524 119.921 120.570 -0.209 0.000 2.226 307 I HA -0.271 3.899 4.170 0.001 0.000 0.245 307 I C 2.464 178.466 176.117 -0.191 0.000 1.100 307 I CA 1.934 63.088 61.300 -0.243 0.000 1.374 307 I CB -1.016 36.780 38.000 -0.340 0.000 1.057 307 I HN 0.322 nan 8.210 nan 0.000 0.413 308 M N 0.422 119.909 119.600 -0.190 0.000 2.080 308 M HA -0.220 4.261 4.480 0.001 0.000 0.260 308 M C 2.470 178.710 176.300 -0.101 0.000 1.068 308 M CA 2.361 57.612 55.300 -0.081 0.000 1.109 308 M CB -0.491 31.994 32.600 -0.192 0.000 1.342 308 M HN 0.264 nan 8.290 nan 0.000 0.405 309 A N 0.283 122.991 122.820 -0.187 0.000 1.873 309 A HA -0.108 4.212 4.320 0.001 0.000 0.215 309 A C 2.101 179.517 177.584 -0.280 0.000 1.186 309 A CA 1.381 53.267 52.037 -0.251 0.000 0.616 309 A CB -0.944 17.859 19.000 -0.328 0.000 0.823 309 A HN 0.449 nan 8.150 nan 0.000 0.442 310 L N -0.604 120.470 121.223 -0.249 0.000 2.046 310 L HA -0.192 4.148 4.340 0.001 0.000 0.208 310 L C 2.588 179.415 176.870 -0.072 0.000 1.077 310 L CA 1.059 55.790 54.840 -0.183 0.000 0.747 310 L CB -0.581 41.398 42.059 -0.134 0.000 0.896 310 L HN 0.376 nan 8.230 nan 0.000 0.432 311 L N -0.472 120.699 121.223 -0.087 0.000 2.017 311 L HA -0.216 4.125 4.340 0.001 0.000 0.208 311 L C 2.910 179.763 176.870 -0.028 0.000 1.073 311 L CA 1.320 56.102 54.840 -0.096 0.000 0.745 311 L CB -0.790 41.259 42.059 -0.016 0.000 0.894 311 L HN 0.244 nan 8.230 nan 0.000 0.432 312 A N -0.652 122.214 122.820 0.078 0.000 1.877 312 A HA -0.200 4.120 4.320 0.001 0.000 0.216 312 A C 2.487 180.198 177.584 0.211 0.000 1.186 312 A CA 2.224 54.381 52.037 0.199 0.000 0.620 312 A CB -0.693 18.383 19.000 0.127 0.000 0.822 312 A HN 0.383 nan 8.150 nan 0.000 0.443 313 S N -1.751 113.975 115.700 0.044 0.000 2.402 313 S HA -0.103 4.368 4.470 0.001 0.000 0.229 313 S C 1.779 176.635 174.600 0.427 0.000 1.021 313 S CA 1.166 59.433 58.200 0.111 0.000 0.974 313 S CB -0.513 62.338 63.200 -0.581 0.000 0.800 313 S HN 0.678 nan 8.310 nan 0.000 0.484 314 Y N 1.705 122.147 120.300 0.236 0.000 2.097 314 Y HA -0.244 4.307 4.550 0.001 0.000 0.282 314 Y C 1.882 177.923 175.900 0.235 0.000 1.152 314 Y CA 1.298 59.520 58.100 0.204 0.000 1.136 314 Y CB -0.825 37.613 38.460 -0.036 0.000 0.975 314 Y HN 0.206 nan 8.280 nan 0.000 0.498 315 Y N 0.369 120.754 120.300 0.142 0.000 2.145 315 Y HA -0.215 4.336 4.550 0.001 0.000 0.286 315 Y C 3.098 179.082 175.900 0.140 0.000 1.145 315 Y CA 1.672 59.822 58.100 0.084 0.000 1.148 315 Y CB -1.345 37.251 38.460 0.226 0.000 0.981 315 Y HN 0.318 nan 8.280 nan 0.000 0.507 316 S N -1.807 114.124 115.700 0.385 0.000 2.453 316 S HA -0.174 4.297 4.470 0.001 0.000 0.231 316 S C 2.177 176.928 174.600 0.253 0.000 1.005 316 S CA 0.759 59.149 58.200 0.317 0.000 0.949 316 S CB -1.185 62.222 63.200 0.345 0.000 0.774 316 S HN 0.563 nan 8.310 nan 0.000 0.510 317 C N 2.626 122.092 119.300 0.276 0.000 2.541 317 C HA 0.012 4.472 4.460 0.001 0.000 0.282 317 C C 3.245 178.259 174.990 0.041 0.000 1.263 317 C CA 1.607 60.744 59.018 0.200 0.000 1.709 317 C CB -1.227 26.679 27.740 0.276 0.000 2.097 317 C HN 0.789 nan 8.230 nan 0.000 0.480 318 T N -2.719 111.789 114.554 -0.077 0.000 2.978 318 T HA 0.029 4.380 4.350 0.001 0.000 0.262 318 T C 1.360 175.809 174.700 -0.418 0.000 1.063 318 T CA 1.169 63.102 62.100 -0.279 0.000 1.140 318 T CB -0.648 67.927 68.868 -0.487 0.000 0.886 318 T HN 0.652 nan 8.240 nan 0.000 0.470 319 Y N 1.726 121.846 120.300 -0.300 0.000 2.462 319 Y HA 0.338 4.888 4.550 0.001 0.000 0.261 319 Y C 0.865 176.650 175.900 -0.190 0.000 1.146 319 Y CA -0.574 57.289 58.100 -0.394 0.000 1.283 319 Y CB -0.075 37.840 38.460 -0.909 0.000 1.090 319 Y HN 0.119 nan 8.280 nan 0.000 0.526 320 N N 0.283 119.001 118.700 0.030 0.000 2.714 320 N HA -0.177 4.563 4.740 0.001 0.000 0.250 320 N C -0.163 175.410 175.510 0.105 0.000 1.117 320 N CA 1.126 54.210 53.050 0.057 0.000 0.719 320 N CB -1.625 36.871 38.487 0.016 0.000 1.081 320 N HN 0.368 nan 8.380 nan 0.000 0.557 321 S N -0.468 115.335 115.700 0.172 0.000 2.568 321 S HA 0.191 4.661 4.470 0.001 0.000 0.282 321 S C 0.961 175.663 174.600 0.171 0.000 1.338 321 S CA -0.114 58.220 58.200 0.223 0.000 1.045 321 S CB 1.439 64.857 63.200 0.363 0.000 0.873 321 S HN 0.324 nan 8.310 nan 0.000 0.516 322 Q N 0.464 120.348 119.800 0.140 0.000 2.139 322 Q HA 0.269 4.609 4.340 0.001 0.000 0.219 322 Q C -0.138 175.931 176.000 0.115 0.000 0.805 322 Q CA -0.153 55.710 55.803 0.100 0.000 1.024 322 Q CB 0.859 29.628 28.738 0.052 0.000 1.163 322 Q HN 0.902 nan 8.270 nan 0.000 0.485 323 S N -0.568 115.233 115.700 0.167 0.000 2.588 323 S HA 0.529 5.000 4.470 0.001 0.000 0.269 323 S C -1.440 173.292 174.600 0.221 0.000 1.157 323 S CA -0.863 57.477 58.200 0.234 0.000 0.824 323 S CB 2.086 65.479 63.200 0.321 0.000 1.126 323 S HN 0.082 nan 8.310 nan 0.000 0.464 324 Q N 0.100 120.002 119.800 0.170 0.000 2.372 324 Q HA 0.736 5.077 4.340 0.001 0.000 0.273 324 Q C -1.162 174.618 176.000 -0.367 0.000 1.078 324 Q CA -0.966 54.823 55.803 -0.024 0.000 0.806 324 Q CB 2.475 31.221 28.738 0.012 0.000 1.332 324 Q HN 1.036 nan 8.270 nan 0.000 0.435 325 A N 1.986 124.457 122.820 -0.582 0.000 2.317 325 A HA 0.724 5.045 4.320 0.001 0.000 0.327 325 A C -1.449 175.768 177.584 -0.610 0.000 1.178 325 A CA -0.451 50.948 52.037 -1.064 0.000 0.817 325 A CB 0.738 19.031 19.000 -1.178 0.000 1.189 325 A HN 0.516 nan 8.150 nan 0.000 0.489 326 L N 3.164 124.059 121.223 -0.546 0.000 2.349 326 L HA 0.635 4.976 4.340 0.001 0.000 0.278 326 L C -1.317 175.435 176.870 -0.197 0.000 0.996 326 L CA -0.167 54.510 54.840 -0.272 0.000 0.825 326 L CB 1.232 43.170 42.059 -0.202 0.000 1.243 326 L HN 0.574 nan 8.230 nan 0.000 0.412 327 L N 7.247 128.404 121.223 -0.112 0.000 2.408 327 L HA 0.483 4.824 4.340 0.001 0.000 0.257 327 L C -2.340 174.679 176.870 0.249 0.000 1.053 327 L CA -1.544 53.319 54.840 0.038 0.000 0.922 327 L CB 1.191 43.210 42.059 -0.066 0.000 1.261 327 L HN 0.445 nan 8.230 nan 0.000 0.458 328 P HA 0.130 nan 4.420 nan 0.000 0.287 328 P C -0.729 176.694 177.300 0.205 0.000 1.307 328 P CA -0.164 63.064 63.100 0.214 0.000 0.777 328 P CB 0.358 32.135 31.700 0.127 0.000 0.883 329 Y N 2.458 122.831 120.300 0.121 0.000 2.994 329 Y HA 0.250 4.801 4.550 0.001 0.000 0.393 329 Y C 0.475 176.416 175.900 0.068 0.000 1.118 329 Y CA 0.412 58.575 58.100 0.104 0.000 1.906 329 Y CB -0.153 38.377 38.460 0.117 0.000 1.925 329 Y HN 0.293 nan 8.280 nan 0.000 0.446 330 D N -0.159 120.300 120.400 0.097 0.000 2.871 330 D HA 0.040 4.681 4.640 0.001 0.000 0.209 330 D C 0.439 176.757 176.300 0.031 0.000 1.292 330 D CA -0.136 53.909 54.000 0.075 0.000 0.869 330 D CB 1.492 42.344 40.800 0.087 0.000 1.663 330 D HN 0.139 nan 8.370 nan 0.000 0.557 331 E N 1.984 122.198 120.200 0.024 0.000 2.171 331 E HA -0.182 4.169 4.350 0.001 0.000 0.197 331 E C 1.478 178.076 176.600 -0.004 0.000 0.997 331 E CA 1.058 57.456 56.400 -0.004 0.000 0.810 331 E CB 0.151 29.853 29.700 0.002 0.000 0.738 331 E HN 0.492 nan 8.360 nan 0.000 0.467 332 R N 0.051 120.564 120.500 0.022 0.000 2.189 332 R HA 0.013 4.354 4.340 0.001 0.000 0.223 332 R C 1.728 178.038 176.300 0.017 0.000 1.092 332 R CA 0.424 56.533 56.100 0.015 0.000 0.989 332 R CB -0.097 30.214 30.300 0.019 0.000 0.876 332 R HN 0.113 nan 8.270 nan 0.000 0.457 333 L N 1.088 122.315 121.223 0.007 0.000 2.737 333 L HA 0.064 4.405 4.340 0.001 0.000 0.236 333 L C 1.915 178.822 176.870 0.061 0.000 1.219 333 L CA -0.430 54.425 54.840 0.025 0.000 1.021 333 L CB -0.030 41.988 42.059 -0.068 0.000 1.291 333 L HN 0.365 nan 8.230 nan 0.000 0.470 334 C N -1.568 117.715 119.300 -0.028 0.000 2.437 334 C HA -0.131 4.329 4.460 0.001 0.000 0.283 334 C C 1.905 176.768 174.990 -0.211 0.000 1.424 334 C CA 0.275 59.205 59.018 -0.148 0.000 1.782 334 C CB -0.982 26.596 27.740 -0.271 0.000 1.833 334 C HN 0.556 nan 8.230 nan 0.000 0.532 335 Y N -1.208 119.128 120.300 0.059 0.000 2.458 335 Y HA 0.270 4.820 4.550 0.001 0.000 0.256 335 Y C 1.922 177.881 175.900 0.099 0.000 1.159 335 Y CA -0.352 57.775 58.100 0.045 0.000 1.261 335 Y CB -0.694 37.760 38.460 -0.011 0.000 1.119 335 Y HN 0.310 nan 8.280 nan 0.000 0.524 336 F N -0.056 119.944 119.950 0.083 0.000 2.113 336 F HA -0.191 4.336 4.527 0.001 0.000 0.297 336 F C 2.043 177.862 175.800 0.031 0.000 1.103 336 F CA 1.384 59.414 58.000 0.050 0.000 1.248 336 F CB -0.509 38.495 39.000 0.007 0.000 0.999 336 F HN -0.156 nan 8.300 nan 0.000 0.475 337 V N 0.801 120.729 119.914 0.024 0.000 2.282 337 V HA -0.370 3.750 4.120 0.001 0.000 0.249 337 V C 1.940 177.967 176.094 -0.112 0.000 1.057 337 V CA 2.444 64.677 62.300 -0.111 0.000 1.032 337 V CB -0.924 30.869 31.823 -0.050 0.000 0.645 337 V HN 0.294 nan 8.190 nan 0.000 0.447 338 D N -1.245 119.148 120.400 -0.011 0.000 2.123 338 D HA -0.234 4.406 4.640 0.001 0.000 0.196 338 D C 1.943 178.202 176.300 -0.069 0.000 0.992 338 D CA 1.717 55.712 54.000 -0.007 0.000 0.833 338 D CB -0.373 40.478 40.800 0.085 0.000 0.954 338 D HN 0.593 nan 8.370 nan 0.000 0.455 339 Y N 1.050 121.249 120.300 -0.168 0.000 2.097 339 Y HA -0.152 4.399 4.550 0.001 0.000 0.282 339 Y C 1.887 177.606 175.900 -0.301 0.000 1.152 339 Y CA 1.419 59.380 58.100 -0.232 0.000 1.136 339 Y CB -0.253 38.071 38.460 -0.228 0.000 0.975 339 Y HN -0.044 nan 8.280 nan 0.000 0.498 340 L N -0.208 120.772 121.223 -0.405 0.000 2.156 340 L HA -0.206 4.135 4.340 0.001 0.000 0.208 340 L C 2.468 179.129 176.870 -0.348 0.000 1.095 340 L CA 1.117 55.674 54.840 -0.472 0.000 0.770 340 L CB -0.616 41.072 42.059 -0.618 0.000 0.914 340 L HN 0.324 nan 8.230 nan 0.000 0.439 341 Q N -0.165 119.474 119.800 -0.268 0.000 2.045 341 Q HA -0.334 4.007 4.340 0.001 0.000 0.206 341 Q C 2.213 178.090 176.000 -0.206 0.000 0.991 341 Q CA 2.246 57.942 55.803 -0.179 0.000 0.851 341 Q CB -0.177 28.491 28.738 -0.116 0.000 0.911 341 Q HN 0.509 nan 8.270 nan 0.000 0.418 342 Q N -0.015 119.616 119.800 -0.282 0.000 2.020 342 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 342 Q C 2.064 177.846 176.000 -0.364 0.000 0.982 342 Q CA 1.501 57.118 55.803 -0.309 0.000 0.838 342 Q CB -0.235 28.284 28.738 -0.365 0.000 0.899 342 Q HN 0.379 nan 8.270 nan 0.000 0.423 343 A N 0.838 123.342 122.820 -0.526 0.000 1.908 343 A HA -0.255 4.066 4.320 0.001 0.000 0.218 343 A C 1.889 179.325 177.584 -0.246 0.000 1.181 343 A CA 1.989 53.722 52.037 -0.506 0.000 0.627 343 A CB -0.866 17.807 19.000 -0.545 0.000 0.818 343 A HN 0.635 nan 8.150 nan 0.000 0.445 344 D N -0.721 119.574 120.400 -0.174 0.000 2.107 344 D HA -0.058 4.583 4.640 0.001 0.000 0.204 344 D C 2.115 178.393 176.300 -0.036 0.000 0.978 344 D CA 1.540 55.509 54.000 -0.052 0.000 0.852 344 D CB -0.314 40.466 40.800 -0.033 0.000 1.008 344 D HN 0.414 nan 8.370 nan 0.000 0.458 345 M N 0.242 119.805 119.600 -0.061 0.000 2.175 345 M HA -0.075 4.406 4.480 0.001 0.000 0.264 345 M C 2.237 178.506 176.300 -0.051 0.000 1.063 345 M CA 1.102 56.379 55.300 -0.037 0.000 1.119 345 M CB -0.209 32.364 32.600 -0.045 0.000 1.377 345 M HN 0.091 nan 8.290 nan 0.000 0.415 346 E N -0.008 120.138 120.200 -0.091 0.000 2.150 346 E HA -0.123 4.228 4.350 0.001 0.000 0.193 346 E C 1.823 178.381 176.600 -0.071 0.000 0.985 346 E CA 1.146 57.492 56.400 -0.090 0.000 0.814 346 E CB 0.256 29.878 29.700 -0.131 0.000 0.752 346 E HN 0.398 nan 8.360 nan 0.000 0.466 347 S N 0.922 116.584 115.700 -0.064 0.000 2.345 347 S HA -0.049 4.422 4.470 0.001 0.000 0.219 347 S C 1.388 175.978 174.600 -0.018 0.000 1.031 347 S CA 1.012 59.182 58.200 -0.051 0.000 0.984 347 S CB -0.057 63.127 63.200 -0.025 0.000 0.874 347 S HN 0.275 nan 8.310 nan 0.000 0.451 348 N N 0.744 119.466 118.700 0.037 0.000 2.203 348 N HA 0.170 4.910 4.740 0.001 0.000 0.207 348 N C 0.450 175.987 175.510 0.045 0.000 1.130 348 N CA 0.039 53.158 53.050 0.115 0.000 0.861 348 N CB 0.367 39.028 38.487 0.289 0.000 1.005 348 N HN 0.317 nan 8.380 nan 0.000 0.507 349 G N 1.244 110.046 108.800 0.003 0.000 2.916 349 G HA2 0.144 4.105 3.960 0.001 0.000 0.280 349 G HA3 0.144 4.105 3.960 0.001 0.000 0.280 349 G C 0.003 174.889 174.900 -0.024 0.000 0.758 349 G CA -0.026 45.057 45.100 -0.027 0.000 1.993 349 G HN -0.138 nan 8.290 nan 0.000 0.564 350 K N 0.756 121.134 120.400 -0.036 0.000 2.464 350 K HA 0.409 4.730 4.320 0.001 0.000 0.253 350 K C 0.039 176.600 176.600 -0.065 0.000 0.933 350 K CA -0.865 55.412 56.287 -0.017 0.000 0.801 350 K CB 1.972 34.487 32.500 0.024 0.000 1.271 350 K HN 0.085 nan 8.250 nan 0.000 0.430 351 S N -0.056 115.612 115.700 -0.054 0.000 2.512 351 S HA 0.071 4.541 4.470 0.001 0.000 0.216 351 S C 0.594 175.134 174.600 -0.100 0.000 1.006 351 S CA -0.309 57.832 58.200 -0.098 0.000 0.915 351 S CB 0.485 63.639 63.200 -0.075 0.000 0.824 351 S HN 0.489 nan 8.310 nan 0.000 0.497 352 V N 1.724 121.611 119.914 -0.046 0.000 2.815 352 V HA 0.717 4.838 4.120 0.001 0.000 0.314 352 V C -0.439 175.660 176.094 0.009 0.000 1.064 352 V CA -1.371 60.912 62.300 -0.029 0.000 0.952 352 V CB 1.429 33.249 31.823 -0.004 0.000 1.020 352 V HN 0.294 nan 8.190 nan 0.000 0.439 353 N N 2.788 121.502 118.700 0.023 0.000 2.366 353 N HA 0.285 5.026 4.740 0.001 0.000 0.277 353 N C 0.855 176.417 175.510 0.087 0.000 1.275 353 N CA -0.600 52.498 53.050 0.080 0.000 0.964 353 N CB 0.134 38.685 38.487 0.107 0.000 1.167 353 N HN 0.491 nan 8.380 nan 0.000 0.568 354 I N -0.884 119.750 120.570 0.107 0.000 2.335 354 I HA -0.199 3.972 4.170 0.001 0.000 0.251 354 I C 1.902 178.070 176.117 0.085 0.000 1.129 354 I CA 1.449 62.812 61.300 0.104 0.000 1.402 354 I CB -1.933 36.135 38.000 0.113 0.000 1.069 354 I HN 0.761 nan 8.210 nan 0.000 0.424 355 A N -0.161 122.704 122.820 0.074 0.000 2.235 355 A HA 0.303 4.624 4.320 0.001 0.000 0.208 355 A C 1.938 179.547 177.584 0.042 0.000 1.172 355 A CA 0.950 53.022 52.037 0.059 0.000 0.786 355 A CB -0.605 18.429 19.000 0.056 0.000 0.804 355 A HN 0.574 nan 8.150 nan 0.000 0.479 356 G N -0.743 108.080 108.800 0.039 0.000 2.157 356 G HA2 -0.227 3.734 3.960 0.001 0.000 0.248 356 G HA3 -0.227 3.734 3.960 0.001 0.000 0.248 356 G C -0.165 174.738 174.900 0.005 0.000 0.979 356 G CA 0.267 45.378 45.100 0.018 0.000 0.650 356 G HN 0.630 nan 8.290 nan 0.000 0.529 357 E N 1.075 121.281 120.200 0.009 0.000 2.313 357 E HA 0.449 4.800 4.350 0.001 0.000 0.276 357 E C 0.222 176.803 176.600 -0.032 0.000 1.031 357 E CA -0.158 56.239 56.400 -0.005 0.000 0.857 357 E CB 0.745 30.450 29.700 0.010 0.000 1.040 357 E HN 0.120 nan 8.360 nan 0.000 0.408 358 T N 2.231 116.757 114.554 -0.047 0.000 2.853 358 T HA 0.119 4.469 4.350 0.001 0.000 0.298 358 T C 0.198 174.819 174.700 -0.130 0.000 0.978 358 T CA -0.519 61.531 62.100 -0.082 0.000 1.152 358 T CB 0.102 68.929 68.868 -0.069 0.000 0.914 358 T HN 0.325 nan 8.240 nan 0.000 0.539 359 V N 2.309 122.083 119.914 -0.233 0.000 2.686 359 V HA 0.429 4.550 4.120 0.001 0.000 0.295 359 V C 0.668 176.511 176.094 -0.418 0.000 1.057 359 V CA -0.777 61.257 62.300 -0.443 0.000 1.012 359 V CB 1.037 32.318 31.823 -0.904 0.000 1.006 359 V HN 0.675 nan 8.190 nan 0.000 0.477 360 N N 2.052 120.551 118.700 -0.335 0.000 2.276 360 N HA 0.237 4.977 4.740 0.001 0.000 0.212 360 N C -0.607 174.876 175.510 -0.045 0.000 1.127 360 N CA 0.199 53.171 53.050 -0.129 0.000 0.834 360 N CB -0.140 38.346 38.487 -0.002 0.000 1.014 360 N HN 0.934 nan 8.380 nan 0.000 0.491 361 Y N -1.659 118.620 120.300 -0.034 0.000 2.576 361 Y HA 0.487 5.038 4.550 0.001 0.000 0.346 361 Y C 0.258 176.073 175.900 -0.142 0.000 1.018 361 Y CA -1.468 56.604 58.100 -0.047 0.000 1.050 361 Y CB 0.655 39.121 38.460 0.010 0.000 1.280 361 Y HN -0.230 nan 8.280 nan 0.000 0.474 362 Q N 1.642 121.454 119.800 0.019 0.000 2.352 362 Q HA 0.371 4.711 4.340 0.001 0.000 0.260 362 Q C 0.003 175.753 176.000 -0.417 0.000 0.976 362 Q CA 0.391 56.106 55.803 -0.147 0.000 0.881 362 Q CB 1.075 29.776 28.738 -0.062 0.000 1.235 362 Q HN 1.037 nan 8.270 nan 0.000 0.419 363 T N 0.059 114.240 114.554 -0.622 0.000 2.847 363 T HA 0.504 4.854 4.350 0.001 0.000 0.237 363 T C 0.661 174.763 174.700 -0.998 0.000 1.049 363 T CA -0.189 61.143 62.100 -1.280 0.000 1.107 363 T CB -0.509 67.928 68.868 -0.719 0.000 2.638 363 T HN 0.654 nan 8.240 nan 0.000 0.487 364 G N 1.045 109.538 108.800 -0.512 0.000 2.432 364 G HA2 0.466 4.426 3.960 0.001 0.000 0.239 364 G HA3 0.466 4.426 3.960 0.001 0.000 0.239 364 G C 0.125 175.011 174.900 -0.024 0.000 1.291 364 G CA -0.059 45.006 45.100 -0.058 0.000 0.863 364 G HN 1.105 nan 8.290 nan 0.000 0.560 365 V N 0.436 120.405 119.914 0.092 0.000 3.267 365 V HA 0.720 4.841 4.120 0.001 0.000 0.317 365 V C 0.409 176.554 176.094 0.084 0.000 1.131 365 V CA -1.092 61.257 62.300 0.082 0.000 1.031 365 V CB 1.487 33.391 31.823 0.133 0.000 1.159 365 V HN 0.544 nan 8.190 nan 0.000 0.454 366 V N 2.125 122.091 119.914 0.088 0.000 2.572 366 V HA 0.261 4.381 4.120 0.001 0.000 0.291 366 V C 0.103 176.294 176.094 0.162 0.000 1.039 366 V CA 0.082 62.440 62.300 0.098 0.000 1.055 366 V CB 0.789 32.660 31.823 0.080 0.000 0.969 366 V HN 0.738 nan 8.190 nan 0.000 0.482 367 L N 7.682 128.971 121.223 0.110 0.000 2.307 367 L HA 0.733 5.073 4.340 0.001 0.000 0.284 367 L C -0.566 176.374 176.870 0.117 0.000 1.023 367 L CA -0.003 54.872 54.840 0.058 0.000 0.810 367 L CB 1.151 43.187 42.059 -0.039 0.000 1.231 367 L HN 0.833 nan 8.230 nan 0.000 0.423 368 W N 4.219 125.439 121.300 -0.133 0.000 2.961 368 W HA 0.865 5.525 4.660 0.001 0.000 0.368 368 W C -0.574 175.817 176.519 -0.213 0.000 1.213 368 W CA -0.517 56.721 57.345 -0.178 0.000 1.173 368 W CB 0.644 29.982 29.460 -0.203 0.000 1.487 368 W HN 0.883 nan 8.180 nan 0.000 0.585 369 G N -0.323 108.309 108.800 -0.279 0.000 2.398 369 G HA2 0.549 4.509 3.960 0.001 0.000 0.251 369 G HA3 0.549 4.509 3.960 0.001 0.000 0.251 369 G C -0.876 173.881 174.900 -0.238 0.000 1.277 369 G CA 0.447 45.189 45.100 -0.598 0.000 0.927 369 G HN 1.892 nan 8.290 nan 0.000 0.477 370 G N -1.971 106.844 108.800 0.026 0.000 2.377 370 G HA2 0.592 4.552 3.960 0.001 0.000 0.297 370 G HA3 0.592 4.552 3.960 0.001 0.000 0.297 370 G C -1.101 173.929 174.900 0.216 0.000 1.547 370 G CA 0.223 45.463 45.100 0.234 0.000 0.833 370 G HN 1.416 nan 8.290 nan 0.000 0.583 371 V N 0.482 120.453 119.914 0.096 0.000 2.655 371 V HA 0.506 4.626 4.120 0.001 0.000 0.300 371 V C 1.402 177.391 176.094 -0.175 0.000 1.044 371 V CA 0.941 63.224 62.300 -0.028 0.000 1.095 371 V CB 1.257 33.053 31.823 -0.045 0.000 0.952 371 V HN 1.153 nan 8.190 nan 0.000 0.485 372 G N 2.025 110.526 108.800 -0.498 0.000 2.389 372 G HA2 0.448 4.408 3.960 0.001 0.000 0.317 372 G HA3 0.448 4.408 3.960 0.001 0.000 0.317 372 G C 0.825 175.304 174.900 -0.701 0.000 1.137 372 G CA 0.284 44.735 45.100 -1.083 0.000 0.870 372 G HN 0.864 nan 8.290 nan 0.000 0.496 373 T N -0.759 113.554 114.554 -0.402 0.000 3.100 373 T HA -0.052 4.298 4.350 0.001 0.000 0.253 373 T C 1.702 176.289 174.700 -0.189 0.000 1.118 373 T CA 0.540 62.460 62.100 -0.300 0.000 1.058 373 T CB -0.165 68.692 68.868 -0.018 0.000 0.953 373 T HN 0.358 nan 8.240 nan 0.000 0.515 374 N N 2.237 120.831 118.700 -0.176 0.000 2.137 374 N HA -0.008 4.732 4.740 0.001 0.000 0.190 374 N C 2.101 177.508 175.510 -0.172 0.000 1.017 374 N CA 1.522 54.510 53.050 -0.103 0.000 0.859 374 N CB -0.897 37.530 38.487 -0.100 0.000 1.002 374 N HN 0.590 nan 8.380 nan 0.000 0.428 375 G N 0.468 109.052 108.800 -0.359 0.000 2.470 375 G HA2 -0.273 3.688 3.960 0.001 0.000 0.220 375 G HA3 -0.273 3.688 3.960 0.001 0.000 0.220 375 G C 1.264 175.534 174.900 -1.050 0.000 1.121 375 G CA 0.442 45.064 45.100 -0.797 0.000 0.766 375 G HN 0.384 nan 8.290 nan 0.000 0.553 376 Q N -0.394 118.798 119.800 -1.014 0.000 2.291 376 Q HA -0.075 4.266 4.340 0.001 0.000 0.206 376 Q C 1.597 177.255 176.000 -0.570 0.000 0.976 376 Q CA 0.880 56.155 55.803 -0.881 0.000 0.875 376 Q CB -0.086 28.313 28.738 -0.565 0.000 0.927 376 Q HN 0.632 nan 8.270 nan 0.000 0.450 377 H N -2.043 116.849 119.070 -0.298 0.000 2.529 377 H HA 0.346 4.903 4.556 0.001 0.000 0.277 377 H C 0.847 176.100 175.328 -0.126 0.000 1.004 377 H CA 0.727 56.680 56.048 -0.158 0.000 1.167 377 H CB 0.898 30.583 29.762 -0.128 0.000 1.445 377 H HN 0.289 nan 8.280 nan 0.000 0.554 378 A N 0.198 122.941 122.820 -0.129 0.000 1.633 378 A HA 0.060 4.381 4.320 0.001 0.000 0.212 378 A C 0.978 178.595 177.584 0.055 0.000 1.823 378 A CA -0.095 51.916 52.037 -0.044 0.000 1.343 378 A CB -0.287 18.697 19.000 -0.028 0.000 1.309 378 A HN 0.195 nan 8.150 nan 0.000 0.404 379 F N -1.910 118.154 119.950 0.189 0.000 2.746 379 F HA 0.411 4.938 4.527 0.001 0.000 0.313 379 F C 1.447 177.410 175.800 0.270 0.000 1.095 379 F CA 0.347 58.479 58.000 0.219 0.000 1.224 379 F CB -0.608 38.565 39.000 0.287 0.000 1.060 379 F HN 0.254 nan 8.300 nan 0.000 0.584 380 H N 0.529 119.469 119.070 -0.217 0.000 2.457 380 H HA -0.171 4.385 4.556 0.001 0.000 0.297 380 H C 1.898 177.259 175.328 0.055 0.000 1.092 380 H CA 1.289 57.300 56.048 -0.062 0.000 1.309 380 H CB 0.137 29.846 29.762 -0.089 0.000 1.382 380 H HN 0.345 nan 8.280 nan 0.000 0.535 381 Q N 1.745 121.671 119.800 0.210 0.000 2.096 381 Q HA -0.185 4.156 4.340 0.001 0.000 0.208 381 Q C 2.311 178.412 176.000 0.168 0.000 0.993 381 Q CA 1.544 57.462 55.803 0.191 0.000 0.862 381 Q CB -0.541 28.275 28.738 0.129 0.000 0.915 381 Q HN 0.563 nan 8.270 nan 0.000 0.416 382 L N -0.822 120.498 121.223 0.161 0.000 2.109 382 L HA -0.043 4.297 4.340 0.001 0.000 0.207 382 L C 2.064 178.987 176.870 0.089 0.000 1.086 382 L CA 0.900 55.815 54.840 0.125 0.000 0.760 382 L CB -0.128 42.002 42.059 0.119 0.000 0.910 382 L HN 0.343 nan 8.230 nan 0.000 0.437 383 L N -0.983 120.275 121.223 0.058 0.000 2.131 383 L HA -0.222 4.118 4.340 0.001 0.000 0.210 383 L C 2.517 179.288 176.870 -0.166 0.000 1.092 383 L CA 0.832 55.606 54.840 -0.110 0.000 0.759 383 L CB -0.893 40.994 42.059 -0.287 0.000 0.903 383 L HN 0.424 nan 8.230 nan 0.000 0.435 384 H N -0.698 118.413 119.070 0.069 0.000 2.399 384 H HA 0.062 4.618 4.556 0.001 0.000 0.300 384 H C 1.497 176.858 175.328 0.056 0.000 1.048 384 H CA 0.975 57.059 56.048 0.060 0.000 1.370 384 H CB 0.406 30.213 29.762 0.075 0.000 1.428 384 H HN 0.424 nan 8.280 nan 0.000 0.534 385 Q N 0.044 119.952 119.800 0.179 0.000 2.140 385 Q HA 0.213 4.554 4.340 0.001 0.000 0.227 385 Q C 0.944 177.000 176.000 0.093 0.000 0.798 385 Q CA -0.210 55.669 55.803 0.127 0.000 0.987 385 Q CB 1.852 30.665 28.738 0.125 0.000 1.161 385 Q HN 0.194 nan 8.270 nan 0.000 0.480 386 G N 1.993 110.842 108.800 0.082 0.000 2.683 386 G HA2 0.050 4.011 3.960 0.001 0.000 0.260 386 G HA3 0.050 4.011 3.960 0.001 0.000 0.260 386 G C 0.234 175.170 174.900 0.059 0.000 1.238 386 G CA -0.257 44.881 45.100 0.063 0.000 0.934 386 G HN 0.346 nan 8.290 nan 0.000 0.534 387 N N -1.039 117.693 118.700 0.054 0.000 2.480 387 N HA 0.145 4.885 4.740 0.001 0.000 0.281 387 N C -0.564 174.990 175.510 0.074 0.000 1.381 387 N CA -0.427 52.662 53.050 0.065 0.000 0.903 387 N CB 0.530 39.052 38.487 0.058 0.000 1.274 387 N HN 0.164 nan 8.380 nan 0.000 0.505 388 I N 0.699 121.309 120.570 0.068 0.000 2.377 388 I HA 0.375 4.545 4.170 0.001 0.000 0.293 388 I C -0.366 175.810 176.117 0.098 0.000 0.987 388 I CA -1.188 60.162 61.300 0.084 0.000 1.185 388 I CB 0.592 38.621 38.000 0.049 0.000 1.341 388 I HN 0.028 nan 8.210 nan 0.000 0.455 389 F N 7.541 127.496 119.950 0.009 0.000 2.444 389 F HA 0.497 5.025 4.527 0.001 0.000 0.360 389 F C -0.150 175.618 175.800 -0.055 0.000 1.106 389 F CA -0.100 57.875 58.000 -0.041 0.000 1.170 389 F CB 0.392 39.376 39.000 -0.027 0.000 1.113 389 F HN 0.259 nan 8.300 nan 0.000 0.521 390 I N 8.219 128.479 120.570 -0.515 0.000 2.497 390 I HA 0.277 4.448 4.170 0.001 0.000 0.284 390 I C -2.436 173.347 176.117 -0.556 0.000 1.060 390 I CA -2.099 59.025 61.300 -0.293 0.000 1.071 390 I CB 1.717 39.690 38.000 -0.046 0.000 1.216 390 I HN 0.413 nan 8.210 nan 0.000 0.442 391 P HA 0.158 nan 4.420 nan 0.000 0.268 391 P C -0.824 176.306 177.300 -0.283 0.000 1.205 391 P CA -0.157 62.681 63.100 -0.438 0.000 0.771 391 P CB 0.867 32.449 31.700 -0.196 0.000 0.858 392 V N 3.356 123.120 119.914 -0.250 0.000 2.531 392 V HA 0.304 4.425 4.120 0.001 0.000 0.301 392 V C -0.458 175.540 176.094 -0.160 0.000 1.034 392 V CA -0.472 61.656 62.300 -0.287 0.000 0.865 392 V CB 2.012 33.613 31.823 -0.370 0.000 0.995 392 V HN 0.420 nan 8.190 nan 0.000 0.424 393 D N 3.520 123.822 120.400 -0.164 0.000 2.217 393 D HA 0.564 5.204 4.640 0.001 0.000 0.243 393 D C -0.780 175.462 176.300 -0.098 0.000 1.054 393 D CA 0.064 54.073 54.000 0.014 0.000 0.838 393 D CB 1.567 42.473 40.800 0.176 0.000 1.162 393 D HN 0.263 nan 8.370 nan 0.000 0.472 394 F N 1.896 121.908 119.950 0.103 0.000 2.421 394 F HA 0.412 4.939 4.527 0.001 0.000 0.337 394 F C 0.336 176.239 175.800 0.171 0.000 1.105 394 F CA -0.916 57.163 58.000 0.132 0.000 1.049 394 F CB 1.261 40.285 39.000 0.039 0.000 1.139 394 F HN 0.047 nan 8.300 nan 0.000 0.479 395 I N 3.196 123.988 120.570 0.370 0.000 2.355 395 I HA 0.541 4.712 4.170 0.001 0.000 0.288 395 I C -0.080 176.203 176.117 0.277 0.000 0.999 395 I CA -0.776 60.696 61.300 0.287 0.000 1.163 395 I CB 0.701 38.814 38.000 0.188 0.000 1.316 395 I HN 0.594 nan 8.210 nan 0.000 0.454 396 A N 7.767 130.732 122.820 0.241 0.000 2.355 396 A HA 0.876 5.196 4.320 0.001 0.000 0.324 396 A C -0.722 176.970 177.584 0.181 0.000 1.117 396 A CA -0.519 51.639 52.037 0.203 0.000 0.785 396 A CB 1.600 20.732 19.000 0.219 0.000 1.254 396 A HN 0.485 nan 8.150 nan 0.000 0.453 397 I N 2.204 122.863 120.570 0.148 0.000 2.382 397 I HA 0.339 4.510 4.170 0.001 0.000 0.286 397 I C 1.214 177.399 176.117 0.114 0.000 1.002 397 I CA -0.294 61.083 61.300 0.128 0.000 1.135 397 I CB 0.681 38.748 38.000 0.112 0.000 1.288 397 I HN 0.787 nan 8.210 nan 0.000 0.448 398 A N 4.993 127.884 122.820 0.119 0.000 1.930 398 A HA 0.004 4.324 4.320 0.001 0.000 0.217 398 A C 1.003 178.626 177.584 0.066 0.000 1.175 398 A CA 1.402 53.503 52.037 0.106 0.000 0.627 398 A CB -0.115 18.949 19.000 0.107 0.000 0.815 398 A HN 0.661 nan 8.150 nan 0.000 0.443 399 T N -0.909 113.677 114.554 0.055 0.000 2.848 399 T HA 0.511 4.862 4.350 0.001 0.000 0.285 399 T C -0.105 174.601 174.700 0.010 0.000 0.995 399 T CA -0.142 61.967 62.100 0.016 0.000 0.970 399 T CB 1.711 70.590 68.868 0.019 0.000 0.976 399 T HN 0.252 nan 8.240 nan 0.000 0.441 400 S N 0.591 116.243 115.700 -0.080 0.000 2.521 400 S HA 0.315 4.786 4.470 0.001 0.000 0.278 400 S C 0.639 175.173 174.600 -0.111 0.000 1.140 400 S CA -0.282 57.864 58.200 -0.090 0.000 1.028 400 S CB 0.232 63.302 63.200 -0.217 0.000 1.203 400 S HN 0.971 nan 8.310 nan 0.000 0.491 401 H N -0.612 118.347 119.070 -0.185 0.000 2.486 401 H HA 0.520 5.076 4.556 0.001 0.000 0.284 401 H C -0.093 175.207 175.328 -0.047 0.000 1.103 401 H CA -0.315 55.676 56.048 -0.096 0.000 1.089 401 H CB -0.519 29.214 29.762 -0.049 0.000 1.603 401 H HN 0.637 nan 8.280 nan 0.000 0.557 402 H N -2.664 116.288 119.070 -0.196 0.000 2.942 402 H HA 0.450 5.007 4.556 0.001 0.000 0.316 402 H C -0.536 174.766 175.328 -0.044 0.000 1.323 402 H CA -1.466 54.499 56.048 -0.138 0.000 1.144 402 H CB 0.480 30.122 29.762 -0.199 0.000 1.866 402 H HN 0.010 nan 8.280 nan 0.000 0.545 403 N N -0.126 118.689 118.700 0.193 0.000 2.275 403 N HA 0.042 4.782 4.740 0.001 0.000 0.236 403 N C -0.850 174.700 175.510 0.066 0.000 1.154 403 N CA 0.086 53.171 53.050 0.058 0.000 0.866 403 N CB 0.237 38.691 38.487 -0.054 0.000 1.093 403 N HN 0.489 nan 8.380 nan 0.000 0.515 404 Y N 1.380 121.883 120.300 0.338 0.000 2.623 404 Y HA 0.070 4.620 4.550 0.001 0.000 0.341 404 Y C 1.159 177.208 175.900 0.248 0.000 1.292 404 Y CA -0.420 57.777 58.100 0.162 0.000 1.840 404 Y CB 0.079 38.414 38.460 -0.208 0.000 1.865 404 Y HN -0.082 nan 8.280 nan 0.000 0.440 405 D N 0.632 121.164 120.400 0.220 0.000 2.144 405 D HA -0.206 4.434 4.640 0.001 0.000 0.199 405 D C 1.860 178.258 176.300 0.163 0.000 0.984 405 D CA 1.269 55.360 54.000 0.152 0.000 0.834 405 D CB -0.058 40.782 40.800 0.066 0.000 0.955 405 D HN 0.572 nan 8.370 nan 0.000 0.465 406 N N 0.735 119.539 118.700 0.173 0.000 2.166 406 N HA -0.216 4.525 4.740 0.001 0.000 0.186 406 N C 1.570 177.147 175.510 0.112 0.000 1.019 406 N CA 1.231 54.350 53.050 0.115 0.000 0.856 406 N CB -1.000 37.534 38.487 0.078 0.000 0.993 406 N HN 0.419 nan 8.380 nan 0.000 0.426 407 H N -0.105 119.035 119.070 0.116 0.000 2.326 407 H HA -0.066 4.491 4.556 0.001 0.000 0.301 407 H C 1.934 177.316 175.328 0.091 0.000 1.081 407 H CA 1.729 57.825 56.048 0.079 0.000 1.334 407 H CB 0.175 29.961 29.762 0.041 0.000 1.385 407 H HN 0.327 nan 8.280 nan 0.000 0.504 408 Q N 1.306 121.275 119.800 0.280 0.000 2.084 408 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 408 Q C 2.347 178.396 176.000 0.082 0.000 0.978 408 Q CA 1.656 57.565 55.803 0.177 0.000 0.844 408 Q CB -0.136 28.686 28.738 0.141 0.000 0.898 408 Q HN 0.429 nan 8.270 nan 0.000 0.426 409 Q N -1.065 118.777 119.800 0.071 0.000 2.084 409 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 409 Q C 1.842 177.839 176.000 -0.005 0.000 0.978 409 Q CA 1.507 57.325 55.803 0.026 0.000 0.844 409 Q CB -0.285 28.472 28.738 0.032 0.000 0.898 409 Q HN 0.509 nan 8.270 nan 0.000 0.426 410 A N 0.568 123.391 122.820 0.005 0.000 1.898 410 A HA -0.171 4.150 4.320 0.001 0.000 0.216 410 A C 1.960 179.540 177.584 -0.007 0.000 1.181 410 A CA 1.233 53.261 52.037 -0.014 0.000 0.620 410 A CB -0.721 18.257 19.000 -0.036 0.000 0.819 410 A HN 0.483 nan 8.150 nan 0.000 0.442 411 L N -0.133 121.106 121.223 0.027 0.000 2.012 411 L HA -0.148 4.192 4.340 0.001 0.000 0.210 411 L C 2.296 179.150 176.870 -0.027 0.000 1.073 411 L CA 1.881 56.763 54.840 0.071 0.000 0.748 411 L CB -0.524 41.600 42.059 0.109 0.000 0.891 411 L HN 0.404 nan 8.230 nan 0.000 0.431 412 L N -0.743 120.379 121.223 -0.169 0.000 2.056 412 L HA -0.145 4.196 4.340 0.001 0.000 0.207 412 L C 2.697 179.125 176.870 -0.738 0.000 1.078 412 L CA 1.129 55.636 54.840 -0.554 0.000 0.749 412 L CB -0.991 40.801 42.059 -0.445 0.000 0.901 412 L HN 0.375 nan 8.230 nan 0.000 0.433 413 A N 0.141 122.772 122.820 -0.315 0.000 1.908 413 A HA -0.233 4.087 4.320 0.001 0.000 0.218 413 A C 2.133 179.628 177.584 -0.149 0.000 1.181 413 A CA 1.959 53.896 52.037 -0.167 0.000 0.627 413 A CB -0.643 18.328 19.000 -0.049 0.000 0.818 413 A HN 0.466 nan 8.150 nan 0.000 0.445 414 N N -0.471 118.163 118.700 -0.109 0.000 2.106 414 N HA -0.169 4.571 4.740 0.001 0.000 0.188 414 N C 1.932 177.374 175.510 -0.113 0.000 1.029 414 N CA 1.523 54.566 53.050 -0.012 0.000 0.848 414 N CB -0.580 37.982 38.487 0.126 0.000 1.007 414 N HN 0.601 nan 8.380 nan 0.000 0.423 415 C N 0.920 119.980 119.300 -0.400 0.000 2.393 415 C HA -0.147 4.313 4.460 0.001 0.000 0.276 415 C C 2.561 177.212 174.990 -0.566 0.000 1.215 415 C CA 0.708 59.180 59.018 -0.910 0.000 1.743 415 C CB -1.520 25.574 27.740 -1.075 0.000 2.044 415 C HN 0.307 nan 8.230 nan 0.000 0.464 416 F N 1.804 121.539 119.950 -0.358 0.000 2.259 416 F HA 0.127 4.654 4.527 0.001 0.000 0.298 416 F C 2.608 178.268 175.800 -0.234 0.000 1.088 416 F CA 0.850 58.669 58.000 -0.302 0.000 1.358 416 F CB -1.697 37.203 39.000 -0.167 0.000 1.040 416 F HN 0.304 nan 8.300 nan 0.000 0.505 417 A N -0.175 122.648 122.820 0.005 0.000 1.933 417 A HA -0.180 4.141 4.320 0.001 0.000 0.218 417 A C 2.247 179.841 177.584 0.016 0.000 1.175 417 A CA 1.308 53.352 52.037 0.013 0.000 0.628 417 A CB -0.545 18.463 19.000 0.015 0.000 0.814 417 A HN 0.300 nan 8.150 nan 0.000 0.444 418 Q N 0.183 119.981 119.800 -0.002 0.000 2.079 418 Q HA -0.133 4.207 4.340 0.001 0.000 0.200 418 Q C 2.590 178.641 176.000 0.085 0.000 0.974 418 Q CA 1.915 57.812 55.803 0.155 0.000 0.840 418 Q CB -0.629 28.340 28.738 0.385 0.000 0.898 418 Q HN 0.842 nan 8.270 nan 0.000 0.430 419 S N 0.393 115.906 115.700 -0.312 0.000 2.382 419 S HA -0.213 4.258 4.470 0.001 0.000 0.228 419 S C 1.961 176.509 174.600 -0.088 0.000 1.027 419 S CA 1.294 59.353 58.200 -0.236 0.000 0.991 419 S CB -0.295 62.602 63.200 -0.504 0.000 0.823 419 S HN 0.343 nan 8.310 nan 0.000 0.469 420 Q N 1.227 120.987 119.800 -0.067 0.000 2.084 420 Q HA -0.043 4.297 4.340 0.001 0.000 0.202 420 Q C 2.318 178.377 176.000 0.099 0.000 0.978 420 Q CA 1.408 57.215 55.803 0.006 0.000 0.844 420 Q CB -0.529 28.256 28.738 0.078 0.000 0.898 420 Q HN 0.737 nan 8.270 nan 0.000 0.426 421 A N 0.588 123.478 122.820 0.117 0.000 1.930 421 A HA -0.118 4.203 4.320 0.001 0.000 0.217 421 A C 2.031 179.720 177.584 0.176 0.000 1.175 421 A CA 0.844 52.962 52.037 0.135 0.000 0.627 421 A CB -0.598 18.433 19.000 0.051 0.000 0.815 421 A HN 0.433 nan 8.150 nan 0.000 0.443 422 L N -1.227 120.124 121.223 0.213 0.000 2.042 422 L HA -0.236 4.105 4.340 0.001 0.000 0.210 422 L C 2.825 179.714 176.870 0.031 0.000 1.076 422 L CA 2.019 56.951 54.840 0.153 0.000 0.749 422 L CB -0.389 41.728 42.059 0.098 0.000 0.893 422 L HN 0.644 nan 8.230 nan 0.000 0.432 423 M N -1.177 118.380 119.600 -0.072 0.000 2.099 423 M HA -0.199 4.282 4.480 0.001 0.000 0.262 423 M C 1.896 178.034 176.300 -0.269 0.000 1.067 423 M CA 2.003 57.147 55.300 -0.260 0.000 1.124 423 M CB -0.031 32.252 32.600 -0.528 0.000 1.353 423 M HN 0.016 nan 8.290 nan 0.000 0.410 424 F N 0.529 120.489 119.950 0.016 0.000 2.374 424 F HA 0.371 4.898 4.527 0.001 0.000 0.291 424 F C 1.872 177.691 175.800 0.032 0.000 1.084 424 F CA 0.708 58.718 58.000 0.018 0.000 1.413 424 F CB -0.968 38.027 39.000 -0.009 0.000 1.099 424 F HN 0.403 nan 8.300 nan 0.000 0.534 425 G N 0.773 109.699 108.800 0.209 0.000 2.601 425 G HA2 -0.226 3.734 3.960 0.001 0.000 0.261 425 G HA3 -0.226 3.734 3.960 0.001 0.000 0.261 425 G C -0.488 174.480 174.900 0.113 0.000 1.289 425 G CA 0.062 45.243 45.100 0.135 0.000 0.920 425 G HN 0.594 nan 8.290 nan 0.000 0.571 426 Q N -1.543 118.307 119.800 0.082 0.000 2.281 426 Q HA 0.621 4.962 4.340 0.001 0.000 0.263 426 Q C -0.238 175.805 176.000 0.072 0.000 0.989 426 Q CA -0.220 55.619 55.803 0.059 0.000 0.852 426 Q CB 1.649 30.401 28.738 0.024 0.000 1.337 426 Q HN 1.591 nan 8.270 nan 0.000 0.418 427 S N 1.799 117.547 115.700 0.080 0.000 2.632 427 S HA 0.141 4.612 4.470 0.001 0.000 0.267 427 S C 0.636 175.312 174.600 0.127 0.000 1.276 427 S CA -0.417 57.849 58.200 0.110 0.000 0.998 427 S CB 0.520 63.786 63.200 0.109 0.000 0.953 427 S HN 0.734 nan 8.310 nan 0.000 0.547 428 Y N 1.232 121.557 120.300 0.042 0.000 2.114 428 Y HA -0.244 4.306 4.550 0.001 0.000 0.282 428 Y C 1.791 177.735 175.900 0.074 0.000 1.165 428 Y CA 2.595 60.723 58.100 0.047 0.000 1.148 428 Y CB -0.497 37.970 38.460 0.011 0.000 0.972 428 Y HN 0.737 nan 8.280 nan 0.000 0.504 429 D N -0.150 120.397 120.400 0.245 0.000 2.117 429 D HA -0.238 4.403 4.640 0.001 0.000 0.197 429 D C 2.290 178.653 176.300 0.106 0.000 0.987 429 D CA 1.696 55.802 54.000 0.176 0.000 0.829 429 D CB -0.498 40.390 40.800 0.146 0.000 0.961 429 D HN 0.514 nan 8.370 nan 0.000 0.460 430 M N 0.257 119.899 119.600 0.069 0.000 2.086 430 M HA -0.173 4.308 4.480 0.001 0.000 0.261 430 M C 1.930 178.233 176.300 0.005 0.000 1.067 430 M CA 1.320 56.639 55.300 0.032 0.000 1.116 430 M CB 0.003 32.616 32.600 0.022 0.000 1.348 430 M HN -0.142 nan 8.290 nan 0.000 0.407 431 V N -0.085 119.818 119.914 -0.018 0.000 2.295 431 V HA -0.304 3.817 4.120 0.001 0.000 0.246 431 V C 2.212 178.256 176.094 -0.084 0.000 1.049 431 V CA 2.216 64.480 62.300 -0.059 0.000 1.024 431 V CB -1.135 30.640 31.823 -0.079 0.000 0.648 431 V HN 0.634 nan 8.190 nan 0.000 0.447 432 Y N 1.743 121.877 120.300 -0.277 0.000 2.128 432 Y HA -0.262 4.288 4.550 0.001 0.000 0.284 432 Y C 2.546 178.374 175.900 -0.120 0.000 1.154 432 Y CA 2.179 60.121 58.100 -0.264 0.000 1.149 432 Y CB -0.324 37.925 38.460 -0.352 0.000 0.976 432 Y HN 0.293 nan 8.280 nan 0.000 0.505 433 N N 0.462 119.171 118.700 0.015 0.000 2.244 433 N HA -0.191 4.549 4.740 0.001 0.000 0.183 433 N C 1.845 177.292 175.510 -0.106 0.000 1.016 433 N CA 1.496 54.518 53.050 -0.048 0.000 0.866 433 N CB -0.416 38.100 38.487 0.047 0.000 0.980 433 N HN 0.620 nan 8.380 nan 0.000 0.430 434 E N 0.815 120.963 120.200 -0.086 0.000 2.106 434 E HA -0.078 4.273 4.350 0.001 0.000 0.192 434 E C 1.936 178.468 176.600 -0.115 0.000 0.984 434 E CA 0.506 56.856 56.400 -0.083 0.000 0.806 434 E CB 0.067 29.730 29.700 -0.062 0.000 0.750 434 E HN 0.276 nan 8.360 nan 0.000 0.458 435 L N 0.477 121.602 121.223 -0.163 0.000 2.056 435 L HA -0.167 4.173 4.340 0.001 0.000 0.207 435 L C 2.545 179.294 176.870 -0.201 0.000 1.078 435 L CA 0.685 55.421 54.840 -0.174 0.000 0.749 435 L CB -0.335 41.605 42.059 -0.199 0.000 0.901 435 L HN 0.241 nan 8.230 nan 0.000 0.433 436 L N -0.230 120.817 121.223 -0.292 0.000 2.012 436 L HA -0.251 4.090 4.340 0.001 0.000 0.210 436 L C 2.554 179.341 176.870 -0.139 0.000 1.073 436 L CA 1.514 56.208 54.840 -0.243 0.000 0.748 436 L CB -0.480 41.404 42.059 -0.291 0.000 0.891 436 L HN 0.208 nan 8.230 nan 0.000 0.431 437 K N -0.132 120.198 120.400 -0.117 0.000 2.211 437 K HA -0.116 4.204 4.320 0.001 0.000 0.203 437 K C 2.193 178.754 176.600 -0.066 0.000 1.050 437 K CA 1.446 57.688 56.287 -0.075 0.000 0.945 437 K CB -0.068 32.396 32.500 -0.061 0.000 0.732 437 K HN 0.356 nan 8.250 nan 0.000 0.451 438 S N -1.098 114.557 115.700 -0.075 0.000 2.522 438 S HA 0.051 4.522 4.470 0.001 0.000 0.227 438 S C 1.377 175.943 174.600 -0.056 0.000 0.986 438 S CA 0.643 58.807 58.200 -0.060 0.000 0.929 438 S CB 0.357 63.520 63.200 -0.062 0.000 0.769 438 S HN 0.412 nan 8.310 nan 0.000 0.529 439 G N 0.304 109.065 108.800 -0.065 0.000 2.205 439 G HA2 -0.137 3.824 3.960 0.001 0.000 0.180 439 G HA3 -0.137 3.824 3.960 0.001 0.000 0.180 439 G C -0.107 174.757 174.900 -0.059 0.000 1.004 439 G CA -0.186 44.881 45.100 -0.055 0.000 0.670 439 G HN 0.457 nan 8.290 nan 0.000 0.496 440 L N 1.820 122.996 121.223 -0.078 0.000 2.439 440 L HA 0.326 4.667 4.340 0.001 0.000 0.269 440 L C 1.146 177.966 176.870 -0.083 0.000 1.179 440 L CA -0.456 54.338 54.840 -0.076 0.000 0.828 440 L CB 0.424 42.429 42.059 -0.091 0.000 1.106 440 L HN 0.536 nan 8.230 nan 0.000 0.467 441 N N 0.959 119.627 118.700 -0.052 0.000 2.327 441 N HA 0.012 4.752 4.740 0.001 0.000 0.257 441 N C 0.445 175.932 175.510 -0.039 0.000 1.281 441 N CA -0.370 52.657 53.050 -0.039 0.000 0.942 441 N CB 0.384 38.865 38.487 -0.011 0.000 1.199 441 N HN 0.519 nan 8.380 nan 0.000 0.532 442 E N -1.085 119.116 120.200 0.002 0.000 2.110 442 E HA -0.149 4.201 4.350 0.001 0.000 0.193 442 E C 1.205 177.877 176.600 0.119 0.000 0.988 442 E CA 1.788 58.232 56.400 0.073 0.000 0.804 442 E CB -0.247 29.534 29.700 0.134 0.000 0.745 442 E HN 0.697 nan 8.360 nan 0.000 0.458 443 T N 1.135 115.736 114.554 0.078 0.000 2.737 443 T HA -0.170 4.181 4.350 0.001 0.000 0.265 443 T C 1.854 176.601 174.700 0.077 0.000 1.038 443 T CA 1.143 63.292 62.100 0.082 0.000 1.144 443 T CB -0.181 68.720 68.868 0.055 0.000 0.866 443 T HN 0.180 nan 8.240 nan 0.000 0.434 444 Q N 0.748 120.573 119.800 0.041 0.000 2.084 444 Q HA -0.026 4.315 4.340 0.001 0.000 0.202 444 Q C 2.717 178.735 176.000 0.030 0.000 0.978 444 Q CA 1.466 57.284 55.803 0.026 0.000 0.844 444 Q CB -0.338 28.398 28.738 -0.004 0.000 0.898 444 Q HN 0.552 nan 8.270 nan 0.000 0.426 445 A N 1.335 124.156 122.820 0.002 0.000 1.930 445 A HA -0.189 4.132 4.320 0.001 0.000 0.217 445 A C 1.890 179.571 177.584 0.162 0.000 1.175 445 A CA 1.364 53.379 52.037 -0.038 0.000 0.627 445 A CB -0.241 18.548 19.000 -0.351 0.000 0.815 445 A HN 0.167 nan 8.150 nan 0.000 0.443 446 K N -0.736 119.835 120.400 0.284 0.000 2.097 446 K HA -0.154 4.167 4.320 0.001 0.000 0.205 446 K C 2.036 178.776 176.600 0.233 0.000 1.050 446 K CA 1.446 57.927 56.287 0.323 0.000 0.938 446 K CB -0.037 32.626 32.500 0.271 0.000 0.718 446 K HN 0.478 nan 8.250 nan 0.000 0.442 447 E N 0.920 121.222 120.200 0.169 0.000 2.152 447 E HA -0.135 4.216 4.350 0.001 0.000 0.192 447 E C 1.591 178.316 176.600 0.208 0.000 0.983 447 E CA 0.705 57.201 56.400 0.160 0.000 0.818 447 E CB 0.081 29.843 29.700 0.104 0.000 0.758 447 E HN 0.113 nan 8.360 nan 0.000 0.467 448 L N -0.580 120.740 121.223 0.163 0.000 2.298 448 L HA 0.384 4.725 4.340 0.001 0.000 0.209 448 L C 1.985 178.966 176.870 0.186 0.000 1.084 448 L CA 1.364 56.308 54.840 0.173 0.000 0.816 448 L CB -0.608 41.488 42.059 0.062 0.000 0.967 448 L HN 0.116 nan 8.230 nan 0.000 0.460 449 A N 0.147 123.021 122.820 0.091 0.000 1.908 449 A HA -0.181 4.139 4.320 0.001 0.000 0.218 449 A C 2.428 180.025 177.584 0.022 0.000 1.181 449 A CA 1.921 53.922 52.037 -0.060 0.000 0.627 449 A CB -1.148 17.596 19.000 -0.427 0.000 0.818 449 A HN 0.531 nan 8.150 nan 0.000 0.445 450 A N -1.361 121.549 122.820 0.149 0.000 2.019 450 A HA -0.187 4.133 4.320 0.001 0.000 0.219 450 A C 1.923 179.476 177.584 -0.052 0.000 1.164 450 A CA 1.466 53.567 52.037 0.107 0.000 0.644 450 A CB -0.889 18.123 19.000 0.020 0.000 0.805 450 A HN 0.709 nan 8.150 nan 0.000 0.449 451 H N -0.369 118.751 119.070 0.082 0.000 2.495 451 H HA 0.040 4.596 4.556 0.001 0.000 0.287 451 H C 1.235 176.590 175.328 0.045 0.000 1.033 451 H CA 1.320 57.403 56.048 0.058 0.000 1.307 451 H CB 0.143 29.932 29.762 0.045 0.000 1.401 451 H HN 0.550 nan 8.280 nan 0.000 0.555 452 K N 0.717 121.193 120.400 0.126 0.000 2.367 452 K HA 0.128 4.448 4.320 0.001 0.000 0.194 452 K C 0.447 177.078 176.600 0.052 0.000 1.027 452 K CA -0.077 56.252 56.287 0.070 0.000 1.075 452 K CB 1.006 33.527 32.500 0.034 0.000 0.845 452 K HN -0.104 nan 8.250 nan 0.000 0.529 453 V N 3.233 123.185 119.914 0.064 0.000 2.599 453 V HA -0.050 4.070 4.120 0.001 0.000 0.300 453 V C 0.237 176.374 176.094 0.072 0.000 1.034 453 V CA 0.491 62.837 62.300 0.075 0.000 1.115 453 V CB 0.478 32.368 31.823 0.111 0.000 0.934 453 V HN 0.154 nan 8.190 nan 0.000 0.485 454 I N 8.053 128.665 120.570 0.071 0.000 2.382 454 I HA 0.309 4.479 4.170 0.001 0.000 0.285 454 I C -1.378 174.795 176.117 0.094 0.000 1.007 454 I CA -2.172 59.175 61.300 0.079 0.000 1.142 454 I CB 1.680 39.710 38.000 0.050 0.000 1.289 454 I HN 0.429 nan 8.210 nan 0.000 0.453 455 P HA -0.045 nan 4.420 nan 0.000 0.217 455 P C 0.832 178.193 177.300 0.102 0.000 1.150 455 P CA 1.174 64.332 63.100 0.096 0.000 0.832 455 P CB 0.756 32.511 31.700 0.091 0.000 0.787 456 G N 0.339 109.202 108.800 0.105 0.000 2.698 456 G HA2 -0.293 3.667 3.960 0.001 0.000 0.233 456 G HA3 -0.293 3.667 3.960 0.001 0.000 0.233 456 G C 0.046 174.989 174.900 0.071 0.000 1.352 456 G CA 0.137 45.294 45.100 0.096 0.000 0.879 456 G HN 0.404 nan 8.290 nan 0.000 0.567 457 N N -1.246 117.480 118.700 0.044 0.000 2.747 457 N HA -0.182 4.559 4.740 0.001 0.000 0.249 457 N C 0.287 175.814 175.510 0.028 0.000 1.107 457 N CA 1.972 55.048 53.050 0.043 0.000 0.707 457 N CB -0.647 37.893 38.487 0.089 0.000 1.054 457 N HN 0.856 nan 8.380 nan 0.000 0.555 458 R N 0.366 120.852 120.500 -0.023 0.000 2.407 458 R HA 0.492 4.832 4.340 0.001 0.000 0.303 458 R C -2.268 173.955 176.300 -0.128 0.000 0.981 458 R CA -1.564 54.466 56.100 -0.117 0.000 0.905 458 R CB 1.378 31.595 30.300 -0.138 0.000 1.099 458 R HN 0.143 nan 8.270 nan 0.000 0.459 459 P HA 0.141 nan 4.420 nan 0.000 0.281 459 P C -0.985 176.264 177.300 -0.084 0.000 1.249 459 P CA -0.408 62.625 63.100 -0.113 0.000 0.810 459 P CB 1.636 33.245 31.700 -0.152 0.000 1.008 460 S N -0.125 115.592 115.700 0.030 0.000 2.570 460 S HA 0.601 5.071 4.470 0.001 0.000 0.270 460 S C -0.876 173.795 174.600 0.119 0.000 1.149 460 S CA -0.617 57.645 58.200 0.104 0.000 0.837 460 S CB 1.187 64.549 63.200 0.269 0.000 1.124 460 S HN 0.335 nan 8.310 nan 0.000 0.465 461 T N 1.996 116.635 114.554 0.140 0.000 2.856 461 T HA 0.725 5.075 4.350 0.001 0.000 0.283 461 T C -0.859 173.928 174.700 0.144 0.000 1.008 461 T CA -0.438 61.697 62.100 0.058 0.000 0.997 461 T CB 1.680 70.566 68.868 0.030 0.000 0.992 461 T HN 0.725 nan 8.240 nan 0.000 0.454 462 T N 3.236 117.806 114.554 0.026 0.000 2.792 462 T HA 0.558 4.909 4.350 0.001 0.000 0.280 462 T C -0.221 174.513 174.700 0.057 0.000 0.990 462 T CA -0.498 61.666 62.100 0.108 0.000 0.960 462 T CB 0.436 69.335 68.868 0.052 0.000 0.939 462 T HN 0.411 nan 8.240 nan 0.000 0.439 463 I N 4.096 124.785 120.570 0.198 0.000 2.355 463 I HA 0.392 4.562 4.170 0.001 0.000 0.288 463 I C -0.828 175.442 176.117 0.253 0.000 0.999 463 I CA -0.918 60.530 61.300 0.246 0.000 1.163 463 I CB 1.411 39.613 38.000 0.337 0.000 1.316 463 I HN 0.299 nan 8.210 nan 0.000 0.454 464 L N 8.079 129.462 121.223 0.267 0.000 2.280 464 L HA 0.535 4.875 4.340 0.001 0.000 0.287 464 L C -0.940 176.079 176.870 0.249 0.000 1.023 464 L CA -0.298 54.713 54.840 0.284 0.000 0.819 464 L CB 1.116 43.386 42.059 0.352 0.000 1.212 464 L HN 0.369 nan 8.230 nan 0.000 0.420 465 L N 4.107 125.449 121.223 0.199 0.000 2.360 465 L HA 0.399 4.739 4.340 0.001 0.000 0.271 465 L C 1.211 178.167 176.870 0.143 0.000 1.057 465 L CA -0.025 54.913 54.840 0.164 0.000 0.803 465 L CB 1.222 43.363 42.059 0.136 0.000 1.207 465 L HN 0.745 nan 8.230 nan 0.000 0.445 466 D N 0.529 121.001 120.400 0.120 0.000 2.144 466 D HA -0.112 4.529 4.640 0.001 0.000 0.200 466 D C 0.087 176.442 176.300 0.091 0.000 0.978 466 D CA 1.008 55.065 54.000 0.094 0.000 0.833 466 D CB 0.224 41.066 40.800 0.070 0.000 0.961 466 D HN 0.706 nan 8.370 nan 0.000 0.470 467 E N -1.621 118.640 120.200 0.101 0.000 2.437 467 E HA 0.417 4.767 4.350 0.001 0.000 0.280 467 E C -1.524 175.145 176.600 0.115 0.000 1.044 467 E CA -1.080 55.385 56.400 0.108 0.000 0.826 467 E CB 1.007 30.775 29.700 0.113 0.000 1.358 467 E HN -0.010 nan 8.360 nan 0.000 0.459 468 L N 2.470 123.770 121.223 0.128 0.000 2.360 468 L HA 0.377 4.718 4.340 0.001 0.000 0.265 468 L C -0.875 176.077 176.870 0.136 0.000 1.066 468 L CA 0.011 54.916 54.840 0.108 0.000 0.929 468 L CB 0.527 42.639 42.059 0.088 0.000 1.306 468 L HN 0.684 nan 8.230 nan 0.000 0.434 469 S N 2.856 118.592 115.700 0.059 0.000 2.718 469 S HA 0.688 5.158 4.470 0.001 0.000 0.300 469 S C -2.034 172.443 174.600 -0.206 0.000 1.117 469 S CA -1.344 56.778 58.200 -0.130 0.000 1.002 469 S CB 1.256 64.444 63.200 -0.020 0.000 1.092 469 S HN 0.301 nan 8.310 nan 0.000 0.542 470 P HA -0.156 nan 4.420 nan 0.000 0.216 470 P C 1.085 178.369 177.300 -0.025 0.000 1.157 470 P CA 1.376 64.353 63.100 -0.204 0.000 0.880 470 P CB -0.198 31.361 31.700 -0.235 0.000 0.791 471 Y N 0.755 120.999 120.300 -0.093 0.000 2.145 471 Y HA -0.238 4.312 4.550 0.001 0.000 0.286 471 Y C 2.565 178.480 175.900 0.026 0.000 1.145 471 Y CA 2.371 60.463 58.100 -0.013 0.000 1.148 471 Y CB -0.676 37.781 38.460 -0.006 0.000 0.981 471 Y HN 0.003 nan 8.280 nan 0.000 0.507 472 S N -0.290 115.549 115.700 0.233 0.000 2.402 472 S HA -0.183 4.288 4.470 0.001 0.000 0.229 472 S C 1.928 176.580 174.600 0.086 0.000 1.021 472 S CA 1.141 59.444 58.200 0.171 0.000 0.974 472 S CB -0.937 62.361 63.200 0.164 0.000 0.800 472 S HN 0.452 nan 8.310 nan 0.000 0.484 473 L N 2.714 123.966 121.223 0.048 0.000 2.046 473 L HA 0.201 4.542 4.340 0.001 0.000 0.208 473 L C 2.467 179.395 176.870 0.098 0.000 1.077 473 L CA 2.034 56.895 54.840 0.034 0.000 0.747 473 L CB -1.416 40.636 42.059 -0.012 0.000 0.896 473 L HN 0.371 nan 8.230 nan 0.000 0.432 474 G N -1.063 107.790 108.800 0.089 0.000 2.422 474 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 474 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 474 G C 1.601 176.586 174.900 0.142 0.000 1.146 474 G CA 0.863 46.095 45.100 0.221 0.000 0.769 474 G HN 0.651 nan 8.290 nan 0.000 0.547 475 A N 0.476 123.297 122.820 0.003 0.000 1.877 475 A HA 0.044 4.364 4.320 0.001 0.000 0.216 475 A C 2.362 180.009 177.584 0.106 0.000 1.186 475 A CA 1.718 53.765 52.037 0.016 0.000 0.620 475 A CB -0.498 18.526 19.000 0.040 0.000 0.822 475 A HN 0.458 nan 8.150 nan 0.000 0.443 476 L N 0.061 121.380 121.223 0.159 0.000 2.017 476 L HA -0.135 4.206 4.340 0.001 0.000 0.208 476 L C 2.240 179.355 176.870 0.409 0.000 1.073 476 L CA 1.872 56.863 54.840 0.250 0.000 0.745 476 L CB -0.452 41.720 42.059 0.189 0.000 0.894 476 L HN 0.448 nan 8.230 nan 0.000 0.432 477 I N -0.423 120.397 120.570 0.417 0.000 2.226 477 I HA -0.282 3.888 4.170 0.001 0.000 0.245 477 I C 2.583 178.927 176.117 0.379 0.000 1.100 477 I CA 1.209 62.809 61.300 0.500 0.000 1.374 477 I CB -0.706 37.588 38.000 0.490 0.000 1.057 477 I HN 0.354 nan 8.210 nan 0.000 0.413 478 A N 0.866 123.814 122.820 0.215 0.000 1.972 478 A HA -0.138 4.183 4.320 0.001 0.000 0.219 478 A C 2.311 179.810 177.584 -0.142 0.000 1.169 478 A CA 1.282 53.276 52.037 -0.071 0.000 0.635 478 A CB -0.790 18.100 19.000 -0.183 0.000 0.810 478 A HN 0.379 nan 8.150 nan 0.000 0.446 479 L N -2.178 119.027 121.223 -0.029 0.000 2.012 479 L HA -0.242 4.099 4.340 0.001 0.000 0.210 479 L C 2.562 179.319 176.870 -0.188 0.000 1.073 479 L CA 1.650 56.406 54.840 -0.139 0.000 0.748 479 L CB -0.664 41.279 42.059 -0.194 0.000 0.891 479 L HN 0.474 nan 8.230 nan 0.000 0.431 480 Y N 0.094 120.411 120.300 0.029 0.000 2.263 480 Y HA -0.193 4.357 4.550 0.001 0.000 0.292 480 Y C 2.582 178.492 175.900 0.016 0.000 1.130 480 Y CA 1.080 59.201 58.100 0.034 0.000 1.179 480 Y CB -0.266 38.239 38.460 0.074 0.000 0.998 480 Y HN 0.188 nan 8.280 nan 0.000 0.532 481 E N -0.708 119.573 120.200 0.136 0.000 2.070 481 E HA -0.253 4.098 4.350 0.001 0.000 0.197 481 E C 1.841 178.440 176.600 -0.002 0.000 1.004 481 E CA 1.596 58.056 56.400 0.099 0.000 0.805 481 E CB -0.233 29.465 29.700 -0.003 0.000 0.744 481 E HN 0.585 nan 8.360 nan 0.000 0.451 482 H N 0.377 119.379 119.070 -0.114 0.000 2.428 482 H HA -0.007 4.550 4.556 0.001 0.000 0.296 482 H C 2.002 177.156 175.328 -0.290 0.000 1.062 482 H CA 0.969 56.779 56.048 -0.396 0.000 1.350 482 H CB -0.125 28.974 29.762 -1.106 0.000 1.403 482 H HN 0.111 nan 8.280 nan 0.000 0.533 483 K N 1.149 121.479 120.400 -0.117 0.000 2.044 483 K HA -0.143 4.177 4.320 0.001 0.000 0.210 483 K C 2.093 178.658 176.600 -0.058 0.000 1.049 483 K CA 1.472 57.686 56.287 -0.122 0.000 0.927 483 K CB -0.193 32.233 32.500 -0.123 0.000 0.713 483 K HN 0.151 nan 8.250 nan 0.000 0.443 484 I N 0.572 121.173 120.570 0.051 0.000 2.226 484 I HA -0.259 3.911 4.170 0.001 0.000 0.245 484 I C 2.332 178.515 176.117 0.110 0.000 1.100 484 I CA 0.962 62.313 61.300 0.085 0.000 1.374 484 I CB -0.352 37.745 38.000 0.161 0.000 1.057 484 I HN 0.190 nan 8.210 nan 0.000 0.413 485 F N 1.558 121.527 119.950 0.031 0.000 2.069 485 F HA -0.214 4.314 4.527 0.001 0.000 0.298 485 F C 2.350 178.152 175.800 0.003 0.000 1.113 485 F CA 1.647 59.703 58.000 0.093 0.000 1.214 485 F CB -0.825 38.297 39.000 0.203 0.000 0.978 485 F HN -0.194 nan 8.300 nan 0.000 0.474 486 V N 0.821 120.595 119.914 -0.233 0.000 2.287 486 V HA -0.342 3.778 4.120 0.001 0.000 0.248 486 V C 2.450 178.254 176.094 -0.483 0.000 1.053 486 V CA 2.309 64.347 62.300 -0.435 0.000 1.027 486 V CB -0.951 30.679 31.823 -0.323 0.000 0.646 486 V HN 0.417 nan 8.190 nan 0.000 0.447 487 Q N 0.036 119.556 119.800 -0.467 0.000 2.096 487 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 487 Q C 2.423 178.028 176.000 -0.658 0.000 0.982 487 Q CA 1.776 57.105 55.803 -0.790 0.000 0.850 487 Q CB -0.608 27.658 28.738 -0.786 0.000 0.901 487 Q HN 0.730 nan 8.270 nan 0.000 0.422 488 G N 0.356 109.015 108.800 -0.233 0.000 2.440 488 G HA2 -0.229 3.731 3.960 0.001 0.000 0.218 488 G HA3 -0.229 3.731 3.960 0.001 0.000 0.218 488 G C 1.529 176.414 174.900 -0.025 0.000 1.154 488 G CA 0.921 46.027 45.100 0.010 0.000 0.767 488 G HN 0.208 nan 8.290 nan 0.000 0.552 489 V N 1.015 120.820 119.914 -0.181 0.000 2.287 489 V HA -0.153 3.968 4.120 0.001 0.000 0.248 489 V C 2.921 178.919 176.094 -0.160 0.000 1.053 489 V CA 1.656 63.847 62.300 -0.182 0.000 1.027 489 V CB -0.453 31.151 31.823 -0.365 0.000 0.646 489 V HN 0.360 nan 8.190 nan 0.000 0.447 490 L N -1.652 119.374 121.223 -0.328 0.000 2.141 490 L HA -0.152 4.189 4.340 0.001 0.000 0.209 490 L C 2.316 179.105 176.870 -0.135 0.000 1.094 490 L CA 1.238 55.878 54.840 -0.334 0.000 0.763 490 L CB -0.492 41.150 42.059 -0.695 0.000 0.908 490 L HN 0.440 nan 8.230 nan 0.000 0.437 491 W N -0.270 120.983 121.300 -0.078 0.000 3.047 491 W HA 0.013 4.674 4.660 0.001 0.000 0.250 491 W C 0.791 177.418 176.519 0.179 0.000 1.314 491 W CA 0.181 57.571 57.345 0.075 0.000 1.540 491 W CB -0.766 28.785 29.460 0.152 0.000 1.127 491 W HN 0.280 nan 8.180 nan 0.000 0.679 492 D N 0.520 121.084 120.400 0.273 0.000 2.772 492 D HA -0.208 4.432 4.640 0.001 0.000 0.233 492 D C -0.005 176.427 176.300 0.219 0.000 1.143 492 D CA 0.875 55.003 54.000 0.214 0.000 0.700 492 D CB -1.344 39.586 40.800 0.216 0.000 1.076 492 D HN 0.302 nan 8.370 nan 0.000 0.430 493 I N -3.963 116.743 120.570 0.228 0.000 2.982 493 I HA 0.562 4.733 4.170 0.001 0.000 0.312 493 I C 0.340 176.547 176.117 0.149 0.000 1.041 493 I CA -1.149 60.260 61.300 0.181 0.000 1.053 493 I CB 1.465 39.579 38.000 0.190 0.000 1.248 493 I HN -0.115 nan 8.210 nan 0.000 0.471 494 N N 1.807 120.583 118.700 0.125 0.000 2.462 494 N HA 0.242 4.982 4.740 0.001 0.000 0.242 494 N C 0.125 175.638 175.510 0.006 0.000 1.010 494 N CA -0.134 52.985 53.050 0.115 0.000 0.939 494 N CB 1.031 39.606 38.487 0.146 0.000 1.127 494 N HN 0.640 nan 8.380 nan 0.000 0.509 495 S N 2.619 118.218 115.700 -0.168 0.000 2.515 495 S HA -0.027 4.444 4.470 0.001 0.000 0.231 495 S C 0.372 174.600 174.600 -0.619 0.000 0.987 495 S CA 0.641 58.563 58.200 -0.463 0.000 0.936 495 S CB -0.176 62.581 63.200 -0.739 0.000 0.766 495 S HN 0.642 nan 8.310 nan 0.000 0.528 496 Y N 1.278 121.647 120.300 0.116 0.000 2.481 496 Y HA 0.237 4.788 4.550 0.001 0.000 0.247 496 Y C 0.573 176.480 175.900 0.012 0.000 1.151 496 Y CA -1.323 56.834 58.100 0.095 0.000 1.238 496 Y CB -0.010 38.497 38.460 0.080 0.000 1.179 496 Y HN 0.246 nan 8.280 nan 0.000 0.524 497 D N -0.152 120.254 120.400 0.010 0.000 2.478 497 D HA 0.277 4.917 4.640 0.001 0.000 0.263 497 D C 0.026 176.175 176.300 -0.251 0.000 1.153 497 D CA -0.703 53.171 54.000 -0.211 0.000 1.038 497 D CB 0.722 41.365 40.800 -0.261 0.000 1.120 497 D HN 0.065 nan 8.370 nan 0.000 0.564 498 Q N -0.445 119.072 119.800 -0.472 0.000 3.576 498 Q HA 0.110 4.450 4.340 0.001 0.000 0.249 498 Q C -0.699 175.146 176.000 -0.258 0.000 0.771 498 Q CA -0.577 55.067 55.803 -0.266 0.000 0.897 498 Q CB -1.294 27.338 28.738 -0.177 0.000 1.551 498 Q HN 0.730 nan 8.270 nan 0.000 0.388 499 W N 1.151 122.456 121.300 0.009 0.000 2.402 499 W HA 0.060 4.720 4.660 0.001 0.000 0.286 499 W C 2.102 178.619 176.519 -0.002 0.000 1.221 499 W CA 1.337 58.686 57.345 0.006 0.000 1.257 499 W CB -0.051 29.413 29.460 0.006 0.000 1.120 499 W HN 0.619 nan 8.180 nan 0.000 0.551 500 G N 0.624 109.530 108.800 0.176 0.000 2.527 500 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 500 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 500 G C 1.357 176.300 174.900 0.072 0.000 1.117 500 G CA 1.399 46.565 45.100 0.110 0.000 0.759 500 G HN 0.313 nan 8.290 nan 0.000 0.556 501 V N -2.542 117.406 119.914 0.056 0.000 3.306 501 V HA 0.208 4.328 4.120 0.001 0.000 0.264 501 V C 1.989 178.113 176.094 0.049 0.000 1.149 501 V CA 1.600 63.917 62.300 0.028 0.000 1.143 501 V CB 0.023 31.841 31.823 -0.008 0.000 0.767 501 V HN 0.378 nan 8.190 nan 0.000 0.476 502 E N 0.297 120.556 120.200 0.099 0.000 2.072 502 E HA -0.186 4.165 4.350 0.001 0.000 0.191 502 E C 2.033 178.674 176.600 0.069 0.000 0.985 502 E CA 1.493 57.955 56.400 0.104 0.000 0.801 502 E CB -0.114 29.696 29.700 0.184 0.000 0.750 502 E HN 0.599 nan 8.360 nan 0.000 0.452 503 L N 0.354 121.615 121.223 0.062 0.000 2.012 503 L HA -0.081 4.259 4.340 0.001 0.000 0.210 503 L C 2.172 179.057 176.870 0.024 0.000 1.073 503 L CA 2.475 57.337 54.840 0.038 0.000 0.748 503 L CB -1.029 41.048 42.059 0.030 0.000 0.891 503 L HN 0.149 nan 8.230 nan 0.000 0.431 504 G N -0.756 108.056 108.800 0.020 0.000 2.450 504 G HA2 -0.276 3.684 3.960 0.001 0.000 0.220 504 G HA3 -0.276 3.684 3.960 0.001 0.000 0.220 504 G C 1.647 176.553 174.900 0.010 0.000 1.130 504 G CA 0.977 46.083 45.100 0.009 0.000 0.760 504 G HN 0.481 nan 8.290 nan 0.000 0.557 505 K N 0.181 120.590 120.400 0.016 0.000 2.057 505 K HA -0.013 4.308 4.320 0.001 0.000 0.206 505 K C 2.400 179.010 176.600 0.017 0.000 1.050 505 K CA 1.163 57.459 56.287 0.014 0.000 0.935 505 K CB -0.121 32.391 32.500 0.019 0.000 0.715 505 K HN 0.269 nan 8.250 nan 0.000 0.439 506 K N 1.474 121.887 120.400 0.022 0.000 2.026 506 K HA -0.100 4.221 4.320 0.001 0.000 0.208 506 K C 1.951 178.560 176.600 0.014 0.000 1.048 506 K CA 1.120 57.419 56.287 0.021 0.000 0.929 506 K CB -0.018 32.496 32.500 0.023 0.000 0.713 506 K HN 0.048 nan 8.250 nan 0.000 0.439 507 L N -0.109 121.120 121.223 0.010 0.000 2.376 507 L HA -0.002 4.339 4.340 0.001 0.000 0.219 507 L C 2.409 179.282 176.870 0.005 0.000 1.133 507 L CA 0.774 55.617 54.840 0.005 0.000 0.816 507 L CB -0.419 41.641 42.059 0.000 0.000 0.933 507 L HN 0.406 nan 8.230 nan 0.000 0.449 508 G N -0.215 108.589 108.800 0.006 0.000 2.394 508 G HA2 -0.199 3.761 3.960 0.001 0.000 0.215 508 G HA3 -0.199 3.761 3.960 0.001 0.000 0.215 508 G C 1.707 176.613 174.900 0.009 0.000 1.165 508 G CA 0.111 45.214 45.100 0.005 0.000 0.784 508 G HN 0.102 nan 8.290 nan 0.000 0.535 509 K N 0.641 121.047 120.400 0.011 0.000 2.097 509 K HA -0.118 4.203 4.320 0.001 0.000 0.206 509 K C 2.212 178.822 176.600 0.017 0.000 1.049 509 K CA 1.505 57.800 56.287 0.014 0.000 0.933 509 K CB -0.273 32.237 32.500 0.015 0.000 0.717 509 K HN 0.356 nan 8.250 nan 0.000 0.442 510 N N 0.399 119.109 118.700 0.016 0.000 2.216 510 N HA -0.029 4.712 4.740 0.001 0.000 0.183 510 N C 1.846 177.370 175.510 0.023 0.000 1.017 510 N CA 0.659 53.721 53.050 0.019 0.000 0.861 510 N CB 0.079 38.573 38.487 0.013 0.000 0.986 510 N HN 0.116 nan 8.380 nan 0.000 0.428 511 I N 0.163 120.743 120.570 0.017 0.000 2.315 511 I HA -0.223 3.947 4.170 0.001 0.000 0.248 511 I C 1.825 177.962 176.117 0.033 0.000 1.117 511 I CA 0.701 62.013 61.300 0.020 0.000 1.404 511 I CB -0.145 37.860 38.000 0.008 0.000 1.071 511 I HN 0.232 nan 8.210 nan 0.000 0.419 512 L N 0.557 121.796 121.223 0.026 0.000 2.046 512 L HA -0.256 4.085 4.340 0.001 0.000 0.208 512 L C 2.593 179.484 176.870 0.035 0.000 1.077 512 L CA 1.509 56.366 54.840 0.027 0.000 0.747 512 L CB -0.461 41.609 42.059 0.019 0.000 0.896 512 L HN 0.173 nan 8.230 nan 0.000 0.432 513 K N -0.060 120.362 120.400 0.036 0.000 2.026 513 K HA -0.200 4.120 4.320 0.001 0.000 0.208 513 K C 2.127 178.764 176.600 0.062 0.000 1.048 513 K CA 1.423 57.734 56.287 0.040 0.000 0.929 513 K CB -0.165 32.357 32.500 0.037 0.000 0.713 513 K HN 0.286 nan 8.250 nan 0.000 0.439 514 A N 0.787 123.662 122.820 0.091 0.000 1.908 514 A HA -0.199 4.121 4.320 0.001 0.000 0.218 514 A C 2.109 179.807 177.584 0.189 0.000 1.181 514 A CA 1.893 54.037 52.037 0.178 0.000 0.627 514 A CB -0.519 18.582 19.000 0.169 0.000 0.818 514 A HN 0.362 nan 8.150 nan 0.000 0.445 515 M N -0.422 119.247 119.600 0.116 0.000 2.279 515 M HA -0.105 4.376 4.480 0.001 0.000 0.264 515 M C 1.141 177.469 176.300 0.046 0.000 1.062 515 M CA 1.048 56.400 55.300 0.087 0.000 1.099 515 M CB -0.261 32.372 32.600 0.056 0.000 1.394 515 M HN 0.372 nan 8.290 nan 0.000 0.426 516 N N -0.355 118.365 118.700 0.033 0.000 2.299 516 N HA 0.013 4.754 4.740 0.001 0.000 0.187 516 N C -0.465 175.038 175.510 -0.011 0.000 1.099 516 N CA 0.599 53.654 53.050 0.009 0.000 0.867 516 N CB 0.530 39.024 38.487 0.011 0.000 0.974 516 N HN 0.183 nan 8.380 nan 0.000 0.477 517 D N 0.357 120.747 120.400 -0.017 0.000 2.318 517 D HA 0.018 4.658 4.640 0.001 0.000 0.233 517 D C -0.388 175.840 176.300 -0.121 0.000 1.348 517 D CA -0.457 53.510 54.000 -0.056 0.000 0.983 517 D CB 0.640 41.426 40.800 -0.024 0.000 1.416 517 D HN -0.043 nan 8.370 nan 0.000 0.558 518 D N 0.943 121.160 120.400 -0.305 0.000 2.378 518 D HA -0.097 4.543 4.640 0.001 0.000 0.227 518 D C 1.129 177.140 176.300 -0.481 0.000 1.012 518 D CA 0.587 54.108 54.000 -0.800 0.000 0.905 518 D CB 0.002 40.181 40.800 -1.035 0.000 0.895 518 D HN 0.155 nan 8.370 nan 0.000 0.532 519 S N -0.900 114.683 115.700 -0.195 0.000 2.556 519 S HA 0.091 4.562 4.470 0.001 0.000 0.216 519 S C 0.807 175.403 174.600 -0.007 0.000 0.970 519 S CA -0.288 57.864 58.200 -0.080 0.000 0.912 519 S CB -0.550 62.613 63.200 -0.062 0.000 0.790 519 S HN 0.260 nan 8.310 nan 0.000 0.504 520 S N 1.325 117.036 115.700 0.018 0.000 2.600 520 S HA 0.283 4.754 4.470 0.001 0.000 0.265 520 S C 0.350 175.001 174.600 0.085 0.000 1.325 520 S CA -0.358 57.873 58.200 0.052 0.000 1.002 520 S CB 0.463 63.700 63.200 0.061 0.000 0.921 520 S HN 0.160 nan 8.310 nan 0.000 0.554 521 D N 1.195 121.631 120.400 0.060 0.000 2.123 521 D HA -0.080 4.561 4.640 0.001 0.000 0.196 521 D C 1.802 178.140 176.300 0.065 0.000 0.992 521 D CA 1.586 55.619 54.000 0.055 0.000 0.833 521 D CB -0.462 40.358 40.800 0.035 0.000 0.954 521 D HN 0.730 nan 8.370 nan 0.000 0.455 522 E N -0.316 119.924 120.200 0.067 0.000 2.070 522 E HA -0.217 4.134 4.350 0.001 0.000 0.197 522 E C 1.954 178.603 176.600 0.080 0.000 1.004 522 E CA 0.952 57.389 56.400 0.062 0.000 0.805 522 E CB -0.453 29.285 29.700 0.063 0.000 0.744 522 E HN 0.466 nan 8.360 nan 0.000 0.451 523 Y N 1.016 121.316 120.300 0.000 0.000 2.200 523 Y HA -0.230 4.321 4.550 0.001 0.000 0.290 523 Y C 2.513 178.412 175.900 -0.000 0.000 1.137 523 Y CA 2.032 60.132 58.100 -0.000 0.000 1.163 523 Y CB -0.056 38.404 38.460 -0.000 0.000 0.988 523 Y HN 0.070 nan 8.280 nan 0.000 0.518 524 Q N 0.091 120.001 119.800 0.184 0.000 2.124 524 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 524 Q C 1.179 177.175 176.000 -0.006 0.000 0.977 524 Q CA 1.879 57.740 55.803 0.097 0.000 0.850 524 Q CB -0.165 28.632 28.738 0.097 0.000 0.901 524 Q HN 0.418 nan 8.270 nan 0.000 0.429 525 N N 0.143 118.836 118.700 -0.012 0.000 2.467 525 N HA 0.087 4.827 4.740 0.001 0.000 0.184 525 N C -0.108 175.366 175.510 -0.061 0.000 1.106 525 N CA 0.231 53.265 53.050 -0.027 0.000 0.892 525 N CB 0.021 38.503 38.487 -0.009 0.000 0.969 525 N HN 0.238 nan 8.380 nan 0.000 0.454 526 L N 1.968 123.122 121.223 -0.116 0.000 2.483 526 L HA -0.012 4.328 4.340 0.001 0.000 0.276 526 L C 0.964 177.762 176.870 -0.119 0.000 1.213 526 L CA -0.152 54.603 54.840 -0.142 0.000 0.843 526 L CB 0.272 42.178 42.059 -0.254 0.000 1.107 526 L HN 0.230 nan 8.230 nan 0.000 0.487 527 D N 0.785 121.130 120.400 -0.090 0.000 2.362 527 D HA -0.086 4.554 4.640 0.001 0.000 0.242 527 D C 0.199 176.443 176.300 -0.093 0.000 1.132 527 D CA -0.443 53.513 54.000 -0.074 0.000 0.907 527 D CB 1.280 42.048 40.800 -0.054 0.000 1.195 527 D HN 0.537 nan 8.370 nan 0.000 0.429 528 D N 0.209 120.564 120.400 -0.075 0.000 2.269 528 D HA -0.165 4.476 4.640 0.001 0.000 0.208 528 D C 1.943 178.205 176.300 -0.063 0.000 0.963 528 D CA 0.888 54.843 54.000 -0.076 0.000 0.864 528 D CB 0.105 40.874 40.800 -0.051 0.000 0.936 528 D HN 0.367 nan 8.370 nan 0.000 0.505 529 S N -1.441 114.228 115.700 -0.051 0.000 2.345 529 S HA -0.143 4.327 4.470 0.001 0.000 0.220 529 S C 1.943 176.516 174.600 -0.046 0.000 1.031 529 S CA 1.961 60.137 58.200 -0.040 0.000 0.996 529 S CB -0.576 62.604 63.200 -0.033 0.000 0.882 529 S HN 0.274 nan 8.310 nan 0.000 0.445 530 T N 2.054 116.573 114.554 -0.058 0.000 2.720 530 T HA -0.101 4.250 4.350 0.001 0.000 0.268 530 T C 1.956 176.606 174.700 -0.082 0.000 1.037 530 T CA 1.519 63.582 62.100 -0.062 0.000 1.144 530 T CB -0.383 68.445 68.868 -0.067 0.000 0.864 530 T HN 0.438 nan 8.240 nan 0.000 0.444 531 R N 0.613 121.031 120.500 -0.136 0.000 2.081 531 R HA -0.115 4.225 4.340 0.001 0.000 0.235 531 R C 2.388 178.648 176.300 -0.068 0.000 1.131 531 R CA 1.246 57.229 56.100 -0.195 0.000 0.960 531 R CB -0.070 30.049 30.300 -0.302 0.000 0.856 531 R HN 0.291 nan 8.270 nan 0.000 0.436 532 Q N 0.338 120.112 119.800 -0.043 0.000 2.245 532 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 532 Q C 2.231 178.232 176.000 0.002 0.000 0.955 532 Q CA 0.863 56.662 55.803 -0.006 0.000 0.870 532 Q CB -0.051 28.682 28.738 -0.008 0.000 0.945 532 Q HN 0.409 nan 8.270 nan 0.000 0.461 533 L N 0.014 121.233 121.223 -0.008 0.000 2.017 533 L HA -0.164 4.176 4.340 0.001 0.000 0.208 533 L C 2.330 179.208 176.870 0.013 0.000 1.073 533 L CA 0.975 55.815 54.840 -0.000 0.000 0.745 533 L CB -0.432 41.623 42.059 -0.008 0.000 0.894 533 L HN 0.145 nan 8.230 nan 0.000 0.432 534 I N -0.243 120.339 120.570 0.020 0.000 2.226 534 I HA -0.309 3.862 4.170 0.001 0.000 0.245 534 I C 2.771 178.929 176.117 0.067 0.000 1.100 534 I CA 1.199 62.529 61.300 0.050 0.000 1.374 534 I CB -0.436 37.611 38.000 0.078 0.000 1.057 534 I HN 0.219 nan 8.210 nan 0.000 0.413 535 A N 0.653 123.518 122.820 0.076 0.000 1.902 535 A HA -0.236 4.085 4.320 0.001 0.000 0.217 535 A C 2.290 179.900 177.584 0.044 0.000 1.181 535 A CA 1.680 53.763 52.037 0.076 0.000 0.623 535 A CB -0.443 18.605 19.000 0.080 0.000 0.818 535 A HN 0.328 nan 8.150 nan 0.000 0.443 536 K N -0.361 120.058 120.400 0.031 0.000 2.211 536 K HA -0.064 4.257 4.320 0.001 0.000 0.203 536 K C 1.629 178.240 176.600 0.018 0.000 1.050 536 K CA 1.379 57.678 56.287 0.020 0.000 0.945 536 K CB -0.234 32.274 32.500 0.013 0.000 0.732 536 K HN 0.531 nan 8.250 nan 0.000 0.451 537 V N -1.661 118.266 119.914 0.021 0.000 3.623 537 V HA 0.059 4.180 4.120 0.001 0.000 0.271 537 V C 1.503 177.609 176.094 0.019 0.000 1.248 537 V CA 0.821 63.131 62.300 0.018 0.000 1.156 537 V CB -0.148 31.684 31.823 0.016 0.000 0.870 537 V HN 0.107 nan 8.190 nan 0.000 0.453 538 K N 0.702 121.116 120.400 0.024 0.000 2.141 538 K HA 0.180 4.500 4.320 0.001 0.000 0.202 538 K C 0.506 177.114 176.600 0.014 0.000 1.045 538 K CA 0.605 56.903 56.287 0.019 0.000 0.971 538 K CB 0.118 32.633 32.500 0.024 0.000 0.795 538 K HN 0.569 nan 8.250 nan 0.000 0.459 539 N N 0.000 118.709 118.700 0.015 0.000 1.763 539 N HA 0.000 4.740 4.740 0.001 0.000 0.220 539 N CA 0.000 53.057 53.050 0.011 0.000 0.885 539 N CB 0.000 38.494 38.487 0.012 0.000 1.341 539 N HN 0.000 nan 8.380 nan 0.000 0.667