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 1ur9_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDIN WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVR 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.704 174.700 0.007 0.000 1.109 3 T CA 0.000 62.111 62.100 0.019 0.000 1.349 3 T CB 0.000 68.881 68.868 0.022 0.000 0.612 4 R N 2.229 122.737 120.500 0.012 0.000 2.570 4 R HA 0.210 4.550 4.340 -0.000 0.000 0.277 4 R C -0.143 176.120 176.300 -0.061 0.000 1.039 4 R CA -0.276 55.821 56.100 -0.006 0.000 1.065 4 R CB 0.412 30.725 30.300 0.022 0.000 0.964 4 R HN 0.291 nan 8.270 nan 0.000 0.428 5 K N 2.373 122.659 120.400 -0.190 0.000 2.270 5 K HA 0.172 4.492 4.320 -0.000 0.000 0.276 5 K C -0.268 176.191 176.600 -0.236 0.000 1.023 5 K CA -0.142 55.919 56.287 -0.377 0.000 0.955 5 K CB 1.511 33.359 32.500 -1.086 0.000 0.975 5 K HN 0.707 nan 8.250 nan 0.000 0.471 6 A N 1.991 124.689 122.820 -0.203 0.000 2.407 6 A HA 0.331 4.651 4.320 -0.000 0.000 0.248 6 A C -0.290 177.241 177.584 -0.088 0.000 1.082 6 A CA -0.413 51.536 52.037 -0.146 0.000 0.785 6 A CB 0.434 19.160 19.000 -0.457 0.000 1.020 6 A HN 0.366 nan 8.150 nan 0.000 0.489 7 V N 4.130 124.065 119.914 0.036 0.000 2.385 7 V HA 0.251 4.371 4.120 -0.000 0.000 0.277 7 V C -0.596 175.523 176.094 0.042 0.000 1.012 7 V CA 0.048 62.427 62.300 0.132 0.000 0.832 7 V CB 0.747 32.717 31.823 0.244 0.000 1.028 7 V HN 0.704 nan 8.190 nan 0.000 0.436 8 I N 4.138 124.628 120.570 -0.133 0.000 2.330 8 I HA 0.521 4.690 4.170 -0.000 0.000 0.286 8 I C 0.899 176.604 176.117 -0.688 0.000 1.025 8 I CA -0.215 60.896 61.300 -0.316 0.000 1.197 8 I CB 1.550 39.302 38.000 -0.413 0.000 1.358 8 I HN 0.637 nan 8.210 nan 0.000 0.467 9 G N 5.866 114.177 108.800 -0.814 0.000 2.377 9 G HA2 0.412 4.372 3.960 -0.000 0.000 0.316 9 G HA3 0.412 4.372 3.960 -0.000 0.000 0.316 9 G C -0.806 173.710 174.900 -0.640 0.000 1.115 9 G CA -0.259 43.975 45.100 -1.442 0.000 0.952 9 G HN 0.359 nan 8.290 nan 0.000 0.441 10 Y N 1.124 121.103 120.300 -0.534 0.000 2.480 10 Y HA 0.279 4.828 4.550 -0.000 0.000 0.338 10 Y C -0.076 175.655 175.900 -0.282 0.000 1.220 10 Y CA 0.486 58.416 58.100 -0.284 0.000 1.430 10 Y CB 0.983 39.356 38.460 -0.144 0.000 1.311 10 Y HN 0.537 nan 8.280 nan 0.000 0.575 11 Y N 5.000 125.159 120.300 -0.235 0.000 2.322 11 Y HA 0.357 4.907 4.550 -0.000 0.000 0.324 11 Y C -1.949 173.709 175.900 -0.405 0.000 1.027 11 Y CA -1.958 56.025 58.100 -0.195 0.000 1.179 11 Y CB 0.440 38.895 38.460 -0.009 0.000 1.136 11 Y HN 0.487 nan 8.280 nan 0.000 0.449 12 F N 8.601 127.823 119.950 -1.212 0.000 2.427 12 F HA 0.656 5.183 4.527 -0.000 0.000 0.346 12 F C -1.383 173.848 175.800 -0.948 0.000 1.120 12 F CA -1.281 56.011 58.000 -1.179 0.000 1.033 12 F CB 0.805 39.036 39.000 -1.281 0.000 1.126 12 F HN 0.493 nan 8.300 nan 0.000 0.462 13 I N 9.635 129.396 120.570 -1.348 0.000 2.497 13 I HA 0.431 4.601 4.170 -0.000 0.000 0.284 13 I C -2.522 173.048 176.117 -0.911 0.000 1.060 13 I CA -2.569 58.181 61.300 -0.916 0.000 1.071 13 I CB 1.828 39.595 38.000 -0.389 0.000 1.216 13 I HN 0.411 nan 8.210 nan 0.000 0.442 14 P HA 0.079 nan 4.420 nan 0.000 0.268 14 P C 0.594 177.824 177.300 -0.115 0.000 1.208 14 P CA 0.026 62.833 63.100 -0.488 0.000 0.777 14 P CB 0.667 32.205 31.700 -0.269 0.000 0.875 15 T N 1.576 116.156 114.554 0.043 0.000 2.737 15 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 15 T C 1.541 176.306 174.700 0.109 0.000 1.040 15 T CA 2.428 64.617 62.100 0.148 0.000 1.142 15 T CB -0.980 68.016 68.868 0.213 0.000 0.861 15 T HN 0.644 nan 8.240 nan 0.000 0.456 16 N N 1.694 120.435 118.700 0.069 0.000 2.166 16 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 16 N C 1.788 177.340 175.510 0.069 0.000 1.019 16 N CA 1.099 54.187 53.050 0.063 0.000 0.856 16 N CB -0.604 37.908 38.487 0.042 0.000 0.993 16 N HN 0.423 nan 8.380 nan 0.000 0.426 17 Q N -0.477 119.356 119.800 0.055 0.000 2.167 17 Q HA 0.042 4.382 4.340 -0.000 0.000 0.202 17 Q C 1.583 177.701 176.000 0.198 0.000 0.970 17 Q CA 0.655 56.515 55.803 0.095 0.000 0.855 17 Q CB 0.018 28.786 28.738 0.051 0.000 0.911 17 Q HN 0.426 nan 8.270 nan 0.000 0.438 18 I N 1.246 121.921 120.570 0.174 0.000 2.315 18 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 18 I C 1.461 177.671 176.117 0.155 0.000 1.117 18 I CA 1.093 62.507 61.300 0.191 0.000 1.404 18 I CB -0.792 37.325 38.000 0.196 0.000 1.071 18 I HN 0.238 nan 8.210 nan 0.000 0.419 19 N N 1.373 120.148 118.700 0.126 0.000 2.354 19 N HA -0.099 4.641 4.740 -0.000 0.000 0.179 19 N C 0.698 176.266 175.510 0.097 0.000 1.021 19 N CA 0.764 53.871 53.050 0.095 0.000 0.887 19 N CB -0.280 38.254 38.487 0.078 0.000 0.974 19 N HN 0.392 nan 8.380 nan 0.000 0.437 20 N N -0.566 118.200 118.700 0.110 0.000 2.338 20 N HA 0.040 4.780 4.740 -0.000 0.000 0.251 20 N C -0.804 174.765 175.510 0.099 0.000 1.199 20 N CA -0.365 52.734 53.050 0.083 0.000 0.879 20 N CB 0.018 38.534 38.487 0.049 0.000 1.159 20 N HN 0.146 nan 8.380 nan 0.000 0.514 21 Y N 1.733 122.057 120.300 0.039 0.000 2.881 21 Y HA 0.054 4.604 4.550 -0.000 0.000 0.335 21 Y C 0.443 176.366 175.900 0.040 0.000 1.263 21 Y CA 0.552 58.682 58.100 0.050 0.000 1.572 21 Y CB 0.257 38.754 38.460 0.063 0.000 1.237 21 Y HN -0.044 nan 8.280 nan 0.000 0.568 22 T N 5.901 120.082 114.554 -0.621 0.000 3.032 22 T HA 0.242 4.592 4.350 -0.000 0.000 0.312 22 T C 0.037 174.409 174.700 -0.546 0.000 1.078 22 T CA -0.769 61.075 62.100 -0.426 0.000 1.028 22 T CB 0.995 69.752 68.868 -0.185 0.000 1.091 22 T HN 0.735 nan 8.240 nan 0.000 0.457 23 E N 2.384 122.373 120.200 -0.353 0.000 2.489 23 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 23 E C 0.949 177.465 176.600 -0.141 0.000 1.057 23 E CA 0.464 56.731 56.400 -0.222 0.000 0.866 23 E CB 0.472 30.126 29.700 -0.077 0.000 0.916 23 E HN 0.770 nan 8.360 nan 0.000 0.500 24 T N -1.332 113.144 114.554 -0.131 0.000 3.483 24 T HA 0.321 4.671 4.350 -0.000 0.000 0.258 24 T C -0.492 174.164 174.700 -0.073 0.000 1.013 24 T CA -0.698 61.351 62.100 -0.084 0.000 1.078 24 T CB 0.165 68.999 68.868 -0.058 0.000 1.111 24 T HN -0.237 nan 8.240 nan 0.000 0.538 25 D N 0.360 120.711 120.400 -0.081 0.000 2.229 25 D HA 0.095 4.735 4.640 -0.000 0.000 0.209 25 D C 0.868 177.138 176.300 -0.050 0.000 1.295 25 D CA -0.203 53.762 54.000 -0.057 0.000 0.913 25 D CB 1.418 42.187 40.800 -0.052 0.000 1.581 25 D HN 0.097 nan 8.370 nan 0.000 0.502 26 T N 0.705 115.237 114.554 -0.036 0.000 2.822 26 T HA -0.176 4.173 4.350 -0.000 0.000 0.270 26 T C 1.785 176.480 174.700 -0.009 0.000 1.064 26 T CA 2.646 64.735 62.100 -0.018 0.000 1.131 26 T CB 0.086 68.947 68.868 -0.011 0.000 0.858 26 T HN 0.364 nan 8.240 nan 0.000 0.483 27 S N -0.391 115.300 115.700 -0.015 0.000 2.453 27 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 27 S C 1.914 176.508 174.600 -0.010 0.000 1.005 27 S CA 0.957 59.150 58.200 -0.011 0.000 0.949 27 S CB -0.271 62.922 63.200 -0.012 0.000 0.774 27 S HN 0.400 nan 8.310 nan 0.000 0.510 28 V N 0.561 120.464 119.914 -0.018 0.000 2.436 28 V HA 0.274 4.394 4.120 -0.000 0.000 0.240 28 V C 0.575 176.662 176.094 -0.011 0.000 1.040 28 V CA 0.550 62.840 62.300 -0.017 0.000 1.052 28 V CB 0.160 31.965 31.823 -0.030 0.000 0.707 28 V HN 0.422 nan 8.190 nan 0.000 0.469 29 V N 1.497 121.395 119.914 -0.027 0.000 2.398 29 V HA 0.299 4.419 4.120 -0.000 0.000 0.282 29 V C -1.927 174.184 176.094 0.028 0.000 1.014 29 V CA -0.942 61.357 62.300 -0.002 0.000 0.838 29 V CB 1.374 33.148 31.823 -0.082 0.000 1.018 29 V HN 0.285 nan 8.190 nan 0.000 0.432 30 P HA -0.090 nan 4.420 nan 0.000 0.218 30 P C 0.158 177.583 177.300 0.209 0.000 1.148 30 P CA 1.358 64.527 63.100 0.115 0.000 0.822 30 P CB 0.177 31.950 31.700 0.122 0.000 0.784 31 F N 0.342 120.349 119.950 0.095 0.000 2.931 31 F HA 0.379 4.906 4.527 -0.000 0.000 0.375 31 F C -2.645 173.315 175.800 0.267 0.000 1.243 31 F CA -2.659 55.442 58.000 0.169 0.000 1.206 31 F CB 1.232 40.363 39.000 0.219 0.000 1.643 31 F HN -0.198 nan 8.300 nan 0.000 0.593 32 P HA 0.114 nan 4.420 nan 0.000 0.276 32 P C 0.923 178.364 177.300 0.235 0.000 1.261 32 P CA -0.202 63.036 63.100 0.230 0.000 0.800 32 P CB 1.956 33.616 31.700 -0.067 0.000 1.066 33 V N 0.643 120.778 119.914 0.368 0.000 2.469 33 V HA -0.241 3.878 4.120 -0.000 0.000 0.251 33 V C 2.681 178.815 176.094 0.067 0.000 1.064 33 V CA 2.752 65.160 62.300 0.180 0.000 1.066 33 V CB -1.858 30.079 31.823 0.191 0.000 0.667 33 V HN 0.745 nan 8.190 nan 0.000 0.461 34 S N 0.226 115.956 115.700 0.049 0.000 2.465 34 S HA -0.227 4.243 4.470 -0.000 0.000 0.241 34 S C 1.704 176.255 174.600 -0.083 0.000 1.000 34 S CA 1.462 59.657 58.200 -0.009 0.000 0.964 34 S CB -0.743 62.447 63.200 -0.015 0.000 0.763 34 S HN 0.680 nan 8.310 nan 0.000 0.512 35 N N 1.451 120.033 118.700 -0.197 0.000 2.289 35 N HA 0.057 4.797 4.740 -0.000 0.000 0.184 35 N C 0.295 175.738 175.510 -0.112 0.000 1.016 35 N CA 0.851 53.703 53.050 -0.330 0.000 0.872 35 N CB -0.213 37.641 38.487 -1.056 0.000 0.973 35 N HN 0.535 nan 8.380 nan 0.000 0.433 36 I N 2.669 123.230 120.570 -0.015 0.000 2.243 36 I HA 0.003 4.173 4.170 -0.000 0.000 0.297 36 I C 0.788 176.916 176.117 0.018 0.000 1.161 36 I CA -0.343 60.994 61.300 0.060 0.000 1.298 36 I CB -0.153 37.897 38.000 0.083 0.000 1.475 36 I HN -0.044 nan 8.210 nan 0.000 0.561 37 T N 2.514 117.063 114.554 -0.010 0.000 2.766 37 T HA 0.166 4.516 4.350 -0.000 0.000 0.295 37 T C -1.652 172.976 174.700 -0.120 0.000 1.024 37 T CA -1.351 60.709 62.100 -0.067 0.000 1.018 37 T CB 0.744 69.575 68.868 -0.062 0.000 1.002 37 T HN 0.180 nan 8.240 nan 0.000 0.532 38 P HA -0.071 nan 4.420 nan 0.000 0.216 38 P C 1.718 178.932 177.300 -0.143 0.000 1.153 38 P CA 1.629 64.454 63.100 -0.458 0.000 0.858 38 P CB -0.353 30.898 31.700 -0.750 0.000 0.789 39 A N -0.127 122.636 122.820 -0.096 0.000 1.902 39 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 39 A C 2.052 179.640 177.584 0.007 0.000 1.181 39 A CA 1.791 53.810 52.037 -0.030 0.000 0.623 39 A CB -0.965 18.020 19.000 -0.025 0.000 0.818 39 A HN 0.179 nan 8.150 nan 0.000 0.443 40 K N -0.392 120.018 120.400 0.017 0.000 2.103 40 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 40 K C 2.245 178.894 176.600 0.082 0.000 1.052 40 K CA 0.924 57.249 56.287 0.063 0.000 0.945 40 K CB -0.295 32.259 32.500 0.090 0.000 0.722 40 K HN 0.409 nan 8.250 nan 0.000 0.443 41 A N 1.983 124.842 122.820 0.066 0.000 2.019 41 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 41 A C 1.782 179.419 177.584 0.088 0.000 1.164 41 A CA 1.450 53.542 52.037 0.092 0.000 0.644 41 A CB -0.246 18.829 19.000 0.125 0.000 0.805 41 A HN 0.200 nan 8.150 nan 0.000 0.449 42 K N -0.636 119.808 120.400 0.072 0.000 2.366 42 K HA -0.037 4.283 4.320 -0.000 0.000 0.198 42 K C 1.898 178.541 176.600 0.071 0.000 1.044 42 K CA 1.009 57.337 56.287 0.068 0.000 0.973 42 K CB -0.023 32.509 32.500 0.054 0.000 0.767 42 K HN 0.614 nan 8.250 nan 0.000 0.475 43 Q N 0.153 120.001 119.800 0.080 0.000 2.389 43 Q HA 0.078 4.418 4.340 -0.000 0.000 0.204 43 Q C 0.042 176.122 176.000 0.133 0.000 0.944 43 Q CA 0.342 56.202 55.803 0.095 0.000 0.908 43 Q CB 0.241 29.029 28.738 0.084 0.000 1.002 43 Q HN 0.204 nan 8.270 nan 0.000 0.493 44 L N -0.121 121.180 121.223 0.130 0.000 2.344 44 L HA 0.220 4.559 4.340 -0.000 0.000 0.272 44 L C 1.185 178.109 176.870 0.090 0.000 1.035 44 L CA -0.182 54.740 54.840 0.137 0.000 0.807 44 L CB 1.524 43.661 42.059 0.129 0.000 1.237 44 L HN 0.039 nan 8.230 nan 0.000 0.442 45 T N -3.650 110.962 114.554 0.097 0.000 2.978 45 T HA 0.244 4.594 4.350 -0.000 0.000 0.248 45 T C 0.203 174.823 174.700 -0.133 0.000 1.018 45 T CA 0.082 62.199 62.100 0.028 0.000 1.026 45 T CB 0.090 69.032 68.868 0.124 0.000 1.032 45 T HN 0.535 nan 8.240 nan 0.000 0.485 46 H N -0.429 118.619 119.070 -0.037 0.000 2.974 46 H HA 0.665 5.221 4.556 -0.000 0.000 0.366 46 H C -1.376 173.889 175.328 -0.104 0.000 1.155 46 H CA -0.841 55.171 56.048 -0.061 0.000 1.186 46 H CB 1.643 31.337 29.762 -0.115 0.000 1.799 46 H HN 0.162 nan 8.280 nan 0.000 0.541 47 I N 2.327 122.932 120.570 0.059 0.000 2.418 47 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 47 I C -0.515 175.606 176.117 0.007 0.000 1.008 47 I CA -0.811 60.493 61.300 0.007 0.000 1.104 47 I CB 1.270 39.311 38.000 0.069 0.000 1.264 47 I HN 0.493 nan 8.210 nan 0.000 0.438 48 N N 6.645 125.249 118.700 -0.160 0.000 2.558 48 N HA 0.178 4.918 4.740 -0.000 0.000 0.233 48 N C -0.577 174.923 175.510 -0.017 0.000 1.038 48 N CA -0.293 52.632 53.050 -0.210 0.000 0.934 48 N CB 0.438 38.469 38.487 -0.759 0.000 1.175 48 N HN 0.405 nan 8.380 nan 0.000 0.512 49 F N 1.952 121.922 119.950 0.033 0.000 2.578 49 F HA 0.118 4.645 4.527 -0.000 0.000 0.381 49 F C 0.067 175.864 175.800 -0.005 0.000 1.069 49 F CA 0.235 58.311 58.000 0.126 0.000 1.231 49 F CB 0.414 39.580 39.000 0.277 0.000 1.086 49 F HN 0.169 nan 8.300 nan 0.000 0.564 50 S N 6.080 121.233 115.700 -0.912 0.000 2.526 50 S HA 0.701 5.170 4.470 -0.000 0.000 0.293 50 S C -1.344 172.848 174.600 -0.681 0.000 1.092 50 S CA -0.500 57.201 58.200 -0.833 0.000 0.980 50 S CB 1.409 63.845 63.200 -1.273 0.000 1.048 50 S HN 0.486 nan 8.310 nan 0.000 0.483 51 F N 1.122 121.089 119.950 0.028 0.000 2.588 51 F HA 0.657 5.184 4.527 -0.000 0.000 0.314 51 F C -0.404 175.528 175.800 0.220 0.000 1.069 51 F CA -0.866 57.251 58.000 0.195 0.000 0.931 51 F CB 1.128 40.333 39.000 0.341 0.000 1.260 51 F HN 0.320 nan 8.300 nan 0.000 0.465 52 L N 1.125 122.567 121.223 0.366 0.000 2.376 52 L HA 0.560 4.899 4.340 -0.000 0.000 0.267 52 L C -0.380 176.592 176.870 0.170 0.000 1.035 52 L CA -0.135 54.724 54.840 0.031 0.000 0.800 52 L CB 1.244 43.165 42.059 -0.229 0.000 1.290 52 L HN 0.670 nan 8.230 nan 0.000 0.462 53 D N -1.196 119.152 120.400 -0.087 0.000 2.837 53 D HA 0.522 5.162 4.640 -0.000 0.000 0.294 53 D C -1.448 174.710 176.300 -0.237 0.000 1.158 53 D CA -0.353 53.514 54.000 -0.223 0.000 1.073 53 D CB 1.214 41.479 40.800 -0.891 0.000 1.419 53 D HN 0.257 nan 8.370 nan 0.000 0.584 54 I N 2.086 122.399 120.570 -0.428 0.000 2.418 54 I HA 0.304 4.474 4.170 -0.000 0.000 0.287 54 I C -0.204 175.697 176.117 -0.360 0.000 1.008 54 I CA -0.924 60.087 61.300 -0.483 0.000 1.104 54 I CB 1.407 38.790 38.000 -1.028 0.000 1.264 54 I HN 0.369 nan 8.210 nan 0.000 0.438 55 N N 3.378 121.945 118.700 -0.221 0.000 2.418 55 N HA 0.109 4.849 4.740 -0.000 0.000 0.283 55 N C 0.878 176.295 175.510 -0.155 0.000 1.267 55 N CA -0.504 52.449 53.050 -0.163 0.000 0.975 55 N CB 0.287 38.720 38.487 -0.089 0.000 1.167 55 N HN 0.515 nan 8.380 nan 0.000 0.581 56 S N -1.876 113.759 115.700 -0.109 0.000 2.515 56 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 56 S C 0.722 175.273 174.600 -0.081 0.000 0.987 56 S CA 0.167 58.309 58.200 -0.097 0.000 0.936 56 S CB -0.546 62.612 63.200 -0.069 0.000 0.766 56 S HN 0.541 nan 8.310 nan 0.000 0.528 57 N N 1.558 120.218 118.700 -0.066 0.000 2.398 57 N HA 0.256 4.996 4.740 -0.000 0.000 0.188 57 N C 0.300 175.778 175.510 -0.052 0.000 1.122 57 N CA 0.250 53.273 53.050 -0.046 0.000 0.866 57 N CB -0.281 38.191 38.487 -0.025 0.000 0.970 57 N HN 0.446 nan 8.380 nan 0.000 0.462 58 L N 0.047 121.214 121.223 -0.093 0.000 3.730 58 L HA -0.259 4.081 4.340 -0.000 0.000 0.410 58 L C -0.605 176.255 176.870 -0.017 0.000 1.234 58 L CA 0.849 55.615 54.840 -0.122 0.000 0.911 58 L CB -1.872 40.117 42.059 -0.116 0.000 1.942 58 L HN 0.208 nan 8.230 nan 0.000 0.860 59 E N -0.914 119.291 120.200 0.008 0.000 2.320 59 E HA 0.403 4.753 4.350 -0.000 0.000 0.264 59 E C -0.428 176.223 176.600 0.084 0.000 0.923 59 E CA -0.880 55.581 56.400 0.103 0.000 0.796 59 E CB 2.524 32.249 29.700 0.041 0.000 1.262 59 E HN 0.220 nan 8.360 nan 0.000 0.428 60 C N 1.710 121.081 119.300 0.117 0.000 2.648 60 C HA 0.576 5.036 4.460 -0.000 0.000 0.419 60 C C -0.013 174.967 174.990 -0.018 0.000 1.352 60 C CA 0.277 59.337 59.018 0.069 0.000 1.816 60 C CB -1.609 26.147 27.740 0.026 0.000 2.598 60 C HN 0.633 nan 8.230 nan 0.000 0.598 61 A N 5.215 127.994 122.820 -0.069 0.000 2.608 61 A HA 0.666 4.986 4.320 -0.000 0.000 0.292 61 A C -1.452 176.090 177.584 -0.070 0.000 1.066 61 A CA -0.637 51.381 52.037 -0.032 0.000 0.676 61 A CB 0.242 19.252 19.000 0.017 0.000 1.277 61 A HN 0.876 nan 8.150 nan 0.000 0.413 62 W N 0.631 121.889 121.300 -0.069 0.000 2.126 62 W HA 0.419 5.079 4.660 -0.000 0.000 0.346 62 W C 0.499 177.020 176.519 0.003 0.000 1.279 62 W CA 0.957 58.291 57.345 -0.019 0.000 1.259 62 W CB 0.458 29.894 29.460 -0.040 0.000 1.133 62 W HN 0.768 nan 8.180 nan 0.000 0.592 63 D N 2.041 122.627 120.400 0.310 0.000 2.450 63 D HA 0.014 4.654 4.640 -0.000 0.000 0.247 63 D C -1.382 175.037 176.300 0.199 0.000 1.162 63 D CA -0.927 53.199 54.000 0.211 0.000 0.879 63 D CB 1.139 42.149 40.800 0.350 0.000 1.163 63 D HN -0.061 nan 8.370 nan 0.000 0.472 64 P HA -0.233 nan 4.420 nan 0.000 0.219 64 P C 0.544 177.909 177.300 0.107 0.000 1.151 64 P CA 1.778 64.936 63.100 0.098 0.000 0.850 64 P CB 0.109 31.848 31.700 0.065 0.000 0.784 65 A N -2.006 120.894 122.820 0.133 0.000 2.238 65 A HA 0.046 4.366 4.320 -0.000 0.000 0.208 65 A C 0.799 178.458 177.584 0.124 0.000 1.177 65 A CA 0.629 52.739 52.037 0.121 0.000 0.804 65 A CB -1.038 18.044 19.000 0.135 0.000 0.823 65 A HN 0.136 nan 8.150 nan 0.000 0.482 66 T N 1.911 116.555 114.554 0.151 0.000 2.794 66 T HA 0.306 4.656 4.350 -0.000 0.000 0.296 66 T C 0.101 174.828 174.700 0.045 0.000 0.949 66 T CA -0.337 61.842 62.100 0.133 0.000 1.101 66 T CB 0.527 69.527 68.868 0.219 0.000 0.905 66 T HN 0.598 nan 8.240 nan 0.000 0.516 67 N N 2.136 120.845 118.700 0.015 0.000 2.420 67 N HA 0.116 4.856 4.740 -0.000 0.000 0.249 67 N C 0.548 176.004 175.510 -0.090 0.000 1.033 67 N CA -0.371 52.667 53.050 -0.021 0.000 0.944 67 N CB 1.010 39.495 38.487 -0.002 0.000 1.113 67 N HN 0.432 nan 8.380 nan 0.000 0.502 68 D N 3.391 123.716 120.400 -0.125 0.000 2.157 68 D HA -0.275 4.365 4.640 -0.000 0.000 0.191 68 D C 1.784 177.966 176.300 -0.196 0.000 1.004 68 D CA 2.130 56.006 54.000 -0.206 0.000 0.854 68 D CB -0.181 40.531 40.800 -0.146 0.000 0.936 68 D HN 0.738 nan 8.370 nan 0.000 0.446 69 A N 0.532 123.275 122.820 -0.130 0.000 1.903 69 A HA -0.272 4.047 4.320 -0.000 0.000 0.219 69 A C 2.138 179.648 177.584 -0.122 0.000 1.191 69 A CA 1.988 53.956 52.037 -0.114 0.000 0.638 69 A CB -0.507 18.450 19.000 -0.072 0.000 0.823 69 A HN 0.116 nan 8.150 nan 0.000 0.451 70 K N -0.446 119.895 120.400 -0.099 0.000 2.026 70 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 70 K C 2.376 178.871 176.600 -0.174 0.000 1.048 70 K CA 1.369 57.605 56.287 -0.084 0.000 0.929 70 K CB -0.949 31.543 32.500 -0.013 0.000 0.713 70 K HN 0.472 nan 8.250 nan 0.000 0.439 71 A N 1.770 124.439 122.820 -0.252 0.000 1.873 71 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 71 A C 2.269 179.620 177.584 -0.388 0.000 1.193 71 A CA 1.939 53.712 52.037 -0.441 0.000 0.629 71 A CB -0.558 17.860 19.000 -0.971 0.000 0.826 71 A HN 0.311 nan 8.150 nan 0.000 0.447 72 R N -0.909 119.406 120.500 -0.308 0.000 2.096 72 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 72 R C 1.985 178.168 176.300 -0.196 0.000 1.127 72 R CA 1.505 57.474 56.100 -0.219 0.000 0.968 72 R CB -0.427 29.733 30.300 -0.232 0.000 0.861 72 R HN 0.693 nan 8.270 nan 0.000 0.440 73 D N -0.042 120.247 120.400 -0.184 0.000 2.144 73 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 73 D C 1.666 177.844 176.300 -0.203 0.000 0.984 73 D CA 0.841 54.749 54.000 -0.153 0.000 0.834 73 D CB 0.245 40.979 40.800 -0.109 0.000 0.955 73 D HN -0.055 nan 8.370 nan 0.000 0.465 74 V N -0.356 119.379 119.914 -0.299 0.000 2.323 74 V HA -0.164 3.955 4.120 -0.000 0.000 0.244 74 V C 2.538 178.536 176.094 -0.160 0.000 1.041 74 V CA 1.084 63.175 62.300 -0.347 0.000 1.025 74 V CB -0.247 31.348 31.823 -0.380 0.000 0.656 74 V HN 0.147 nan 8.190 nan 0.000 0.451 75 V N 0.842 120.646 119.914 -0.183 0.000 2.407 75 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 75 V C 2.304 178.314 176.094 -0.140 0.000 1.055 75 V CA 2.016 64.205 62.300 -0.184 0.000 1.049 75 V CB -0.854 30.803 31.823 -0.276 0.000 0.662 75 V HN 0.568 nan 8.190 nan 0.000 0.455 76 N N 0.292 118.909 118.700 -0.139 0.000 2.188 76 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 76 N C 1.957 177.431 175.510 -0.059 0.000 1.018 76 N CA 1.146 54.133 53.050 -0.105 0.000 0.858 76 N CB -0.341 38.082 38.487 -0.107 0.000 0.989 76 N HN 0.466 nan 8.380 nan 0.000 0.426 77 R N 0.357 120.829 120.500 -0.047 0.000 2.096 77 R HA 0.039 4.379 4.340 -0.000 0.000 0.235 77 R C 2.150 178.461 176.300 0.017 0.000 1.127 77 R CA 0.691 56.791 56.100 0.000 0.000 0.968 77 R CB -0.291 30.025 30.300 0.027 0.000 0.861 77 R HN 0.210 nan 8.270 nan 0.000 0.440 78 L N 0.058 121.290 121.223 0.015 0.000 2.005 78 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 78 L C 2.645 179.539 176.870 0.038 0.000 1.072 78 L CA 1.760 56.625 54.840 0.042 0.000 0.744 78 L CB -0.768 41.348 42.059 0.096 0.000 0.895 78 L HN 0.362 nan 8.230 nan 0.000 0.433 79 T N -2.693 111.868 114.554 0.011 0.000 2.929 79 T HA -0.090 4.260 4.350 -0.000 0.000 0.271 79 T C 1.801 176.493 174.700 -0.013 0.000 1.085 79 T CA 0.830 62.931 62.100 0.003 0.000 1.125 79 T CB -0.310 68.537 68.868 -0.034 0.000 0.874 79 T HN 0.309 nan 8.240 nan 0.000 0.494 80 A N 1.506 124.315 122.820 -0.018 0.000 2.015 80 A HA 0.253 4.573 4.320 -0.000 0.000 0.219 80 A C 2.296 179.855 177.584 -0.042 0.000 1.163 80 A CA 0.809 52.825 52.037 -0.035 0.000 0.646 80 A CB -0.784 18.207 19.000 -0.016 0.000 0.806 80 A HN 0.579 nan 8.150 nan 0.000 0.448 81 L N -0.796 120.441 121.223 0.023 0.000 2.362 81 L HA -0.118 4.222 4.340 -0.000 0.000 0.219 81 L C 2.149 179.035 176.870 0.027 0.000 1.134 81 L CA 0.924 55.819 54.840 0.093 0.000 0.807 81 L CB -0.357 41.775 42.059 0.121 0.000 0.927 81 L HN 0.330 nan 8.230 nan 0.000 0.447 82 K N 0.423 120.814 120.400 -0.015 0.000 2.360 82 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 82 K C 2.181 178.735 176.600 -0.077 0.000 1.046 82 K CA 0.968 57.241 56.287 -0.024 0.000 0.945 82 K CB -0.127 32.363 32.500 -0.017 0.000 0.750 82 K HN 0.301 nan 8.250 nan 0.000 0.464 83 A N 1.163 123.873 122.820 -0.183 0.000 2.019 83 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 83 A C 1.439 178.856 177.584 -0.279 0.000 1.164 83 A CA 1.222 53.096 52.037 -0.271 0.000 0.644 83 A CB -0.433 18.325 19.000 -0.404 0.000 0.805 83 A HN 0.297 nan 8.150 nan 0.000 0.449 84 H N -1.726 117.348 119.070 0.007 0.000 2.553 84 H HA 0.119 4.675 4.556 -0.000 0.000 0.265 84 H C -0.205 175.130 175.328 0.011 0.000 0.964 84 H CA 0.720 56.774 56.048 0.010 0.000 1.156 84 H CB 0.187 29.958 29.762 0.015 0.000 1.411 84 H HN 0.506 nan 8.280 nan 0.000 0.558 85 N N 0.757 119.507 118.700 0.083 0.000 2.599 85 N HA 0.064 4.804 4.740 -0.000 0.000 0.283 85 N C -2.336 173.184 175.510 0.017 0.000 1.160 85 N CA -1.459 51.624 53.050 0.055 0.000 0.869 85 N CB 1.777 40.304 38.487 0.066 0.000 1.448 85 N HN -0.153 nan 8.380 nan 0.000 0.535 86 P HA 0.020 nan 4.420 nan 0.000 0.234 86 P C 0.267 177.556 177.300 -0.019 0.000 1.167 86 P CA 0.653 63.748 63.100 -0.010 0.000 0.763 86 P CB 0.483 32.179 31.700 -0.007 0.000 0.835 87 S N -0.824 114.866 115.700 -0.018 0.000 2.524 87 S HA 0.106 4.576 4.470 -0.000 0.000 0.215 87 S C 0.730 175.282 174.600 -0.079 0.000 0.986 87 S CA -0.434 57.744 58.200 -0.037 0.000 0.911 87 S CB -0.372 62.817 63.200 -0.018 0.000 0.805 87 S HN 0.074 nan 8.310 nan 0.000 0.501 88 L N 3.271 124.461 121.223 -0.055 0.000 2.453 88 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 88 L C 0.016 176.833 176.870 -0.087 0.000 1.182 88 L CA 0.562 55.359 54.840 -0.072 0.000 0.858 88 L CB 0.222 42.277 42.059 -0.007 0.000 1.120 88 L HN 0.011 nan 8.230 nan 0.000 0.474 89 R N 5.651 126.063 120.500 -0.148 0.000 2.534 89 R HA 0.526 4.866 4.340 -0.000 0.000 0.301 89 R C -1.163 175.170 176.300 0.055 0.000 0.961 89 R CA -0.904 55.159 56.100 -0.061 0.000 0.871 89 R CB 1.607 31.823 30.300 -0.140 0.000 1.170 89 R HN 0.484 nan 8.270 nan 0.000 0.446 90 I N 5.080 125.746 120.570 0.160 0.000 2.310 90 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 90 I C 0.296 176.642 176.117 0.381 0.000 1.073 90 I CA -0.230 61.227 61.300 0.262 0.000 1.216 90 I CB 0.576 38.755 38.000 0.298 0.000 1.415 90 I HN 0.519 nan 8.210 nan 0.000 0.480 91 M N 6.006 125.749 119.600 0.239 0.000 2.267 91 M HA 0.452 4.932 4.480 -0.000 0.000 0.303 91 M C -0.256 176.034 176.300 -0.016 0.000 1.164 91 M CA -0.417 54.953 55.300 0.117 0.000 1.060 91 M CB 1.073 33.674 32.600 0.003 0.000 1.455 91 M HN 0.359 nan 8.290 nan 0.000 0.483 92 F N -1.139 118.568 119.950 -0.404 0.000 2.532 92 F HA 0.730 5.257 4.527 -0.000 0.000 0.321 92 F C -0.373 175.310 175.800 -0.194 0.000 1.089 92 F CA -1.034 56.626 58.000 -0.567 0.000 0.926 92 F CB 1.315 39.443 39.000 -1.453 0.000 1.168 92 F HN 0.482 nan 8.300 nan 0.000 0.459 93 S N 3.629 119.348 115.700 0.032 0.000 2.451 93 S HA 0.719 5.189 4.470 -0.000 0.000 0.301 93 S C -0.778 174.069 174.600 0.411 0.000 1.116 93 S CA -0.656 57.656 58.200 0.186 0.000 1.093 93 S CB 0.473 63.940 63.200 0.445 0.000 1.017 93 S HN 0.618 nan 8.310 nan 0.000 0.482 94 I N 4.809 125.575 120.570 0.327 0.000 2.339 94 I HA 0.624 4.794 4.170 -0.000 0.000 0.290 94 I C 1.019 177.350 176.117 0.357 0.000 0.994 94 I CA -0.049 61.477 61.300 0.377 0.000 1.191 94 I CB 0.980 39.178 38.000 0.330 0.000 1.343 94 I HN 0.976 nan 8.210 nan 0.000 0.458 95 G N 4.242 113.209 108.800 0.277 0.000 2.436 95 G HA2 0.336 4.296 3.960 -0.000 0.000 0.205 95 G HA3 0.336 4.296 3.960 -0.000 0.000 0.205 95 G C 0.017 174.433 174.900 -0.805 0.000 1.188 95 G CA 0.074 45.105 45.100 -0.115 0.000 1.267 95 G HN 1.492 nan 8.290 nan 0.000 0.536 96 G N -1.987 106.176 108.800 -1.062 0.000 2.661 96 G HA2 0.092 4.052 3.960 -0.000 0.000 0.685 96 G HA3 0.092 4.052 3.960 -0.000 0.000 0.685 96 G C 0.673 175.096 174.900 -0.794 0.000 1.298 96 G CA 0.506 44.689 45.100 -1.528 0.000 0.855 96 G HN 1.856 nan 8.290 nan 0.000 0.560 97 W N -0.139 120.720 121.300 -0.735 0.000 2.378 97 W HA -0.110 4.550 4.660 -0.000 0.000 0.313 97 W C 2.119 178.412 176.519 -0.376 0.000 1.197 97 W CA 2.556 59.587 57.345 -0.523 0.000 1.304 97 W CB -0.378 28.806 29.460 -0.459 0.000 1.148 97 W HN 0.671 nan 8.180 nan 0.000 0.494 98 Y N 0.839 120.886 120.300 -0.422 0.000 2.081 98 Y HA -0.348 4.202 4.550 -0.000 0.000 0.280 98 Y C 2.502 178.186 175.900 -0.360 0.000 1.163 98 Y CA 2.584 60.457 58.100 -0.379 0.000 1.135 98 Y CB -1.380 36.877 38.460 -0.340 0.000 0.970 98 Y HN -0.076 nan 8.280 nan 0.000 0.498 99 Y N -0.429 119.587 120.300 -0.472 0.000 2.184 99 Y HA -0.113 4.437 4.550 -0.000 0.000 0.290 99 Y C 2.940 178.476 175.900 -0.607 0.000 1.129 99 Y CA 1.426 59.222 58.100 -0.507 0.000 1.144 99 Y CB -1.218 37.092 38.460 -0.250 0.000 0.995 99 Y HN 0.292 nan 8.280 nan 0.000 0.513 100 S N -0.062 115.247 115.700 -0.652 0.000 2.540 100 S HA 0.069 4.539 4.470 -0.000 0.000 0.218 100 S C 0.401 174.621 174.600 -0.634 0.000 0.977 100 S CA -0.320 57.338 58.200 -0.903 0.000 0.918 100 S CB -1.265 61.145 63.200 -1.317 0.000 0.806 100 S HN 0.518 nan 8.310 nan 0.000 0.496 101 N N 1.701 119.859 118.700 -0.902 0.000 2.340 101 N HA 0.068 4.808 4.740 -0.000 0.000 0.236 101 N C 0.170 175.260 175.510 -0.700 0.000 1.296 101 N CA 0.077 52.484 53.050 -1.072 0.000 0.896 101 N CB 0.152 37.284 38.487 -2.258 0.000 1.127 101 N HN -0.167 nan 8.380 nan 0.000 0.442 102 D N -0.081 119.929 120.400 -0.650 0.000 2.203 102 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 102 D C 0.860 176.721 176.300 -0.731 0.000 0.997 102 D CA 1.443 54.936 54.000 -0.844 0.000 0.863 102 D CB -0.134 40.429 40.800 -0.395 0.000 0.928 102 D HN 0.538 nan 8.370 nan 0.000 0.458 103 L N -0.380 120.558 121.223 -0.475 0.000 2.965 103 L HA 0.359 4.699 4.340 -0.000 0.000 0.254 103 L C 1.141 177.837 176.870 -0.290 0.000 1.220 103 L CA -0.562 54.101 54.840 -0.295 0.000 1.023 103 L CB 0.655 42.611 42.059 -0.172 0.000 1.355 103 L HN -0.163 nan 8.230 nan 0.000 0.545 104 G N 0.214 108.782 108.800 -0.387 0.000 2.539 104 G HA2 0.296 4.256 3.960 -0.000 0.000 0.258 104 G HA3 0.296 4.256 3.960 -0.000 0.000 0.258 104 G C 1.232 175.964 174.900 -0.281 0.000 1.202 104 G CA 0.002 44.859 45.100 -0.406 0.000 0.851 104 G HN 0.028 nan 8.290 nan 0.000 0.556 105 V N -1.151 118.538 119.914 -0.374 0.000 2.568 105 V HA -0.085 4.035 4.120 -0.000 0.000 0.253 105 V C 1.634 177.637 176.094 -0.152 0.000 1.072 105 V CA 2.263 64.412 62.300 -0.252 0.000 1.084 105 V CB -0.330 31.292 31.823 -0.335 0.000 0.676 105 V HN 0.428 nan 8.190 nan 0.000 0.469 106 S N -1.381 114.235 115.700 -0.140 0.000 2.749 106 S HA 0.235 4.705 4.470 -0.000 0.000 0.246 106 S C 1.324 175.912 174.600 -0.021 0.000 1.023 106 S CA 0.079 58.233 58.200 -0.076 0.000 1.012 106 S CB -0.520 62.640 63.200 -0.067 0.000 0.942 106 S HN 0.805 nan 8.310 nan 0.000 0.531 107 H N 2.679 121.650 119.070 -0.166 0.000 2.289 107 H HA -0.231 4.324 4.556 -0.000 0.000 0.294 107 H C 2.257 177.516 175.328 -0.114 0.000 1.095 107 H CA 2.065 58.007 56.048 -0.177 0.000 1.256 107 H CB -0.173 29.476 29.762 -0.189 0.000 1.359 107 H HN 0.478 nan 8.280 nan 0.000 0.487 108 A N 1.454 124.164 122.820 -0.184 0.000 1.903 108 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 108 A C 2.252 179.659 177.584 -0.295 0.000 1.191 108 A CA 2.039 53.941 52.037 -0.224 0.000 0.638 108 A CB -0.614 18.324 19.000 -0.104 0.000 0.823 108 A HN 0.606 nan 8.150 nan 0.000 0.451 109 N N -1.054 117.483 118.700 -0.272 0.000 2.149 109 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 109 N C 1.497 176.655 175.510 -0.587 0.000 1.019 109 N CA 1.869 54.696 53.050 -0.372 0.000 0.857 109 N CB -0.675 37.589 38.487 -0.372 0.000 0.997 109 N HN 0.682 nan 8.380 nan 0.000 0.426 110 Y N 0.901 120.755 120.300 -0.744 0.000 2.200 110 Y HA -0.036 4.514 4.550 -0.000 0.000 0.290 110 Y C 2.487 177.737 175.900 -1.083 0.000 1.137 110 Y CA 0.486 57.914 58.100 -1.121 0.000 1.163 110 Y CB -0.619 36.819 38.460 -1.704 0.000 0.988 110 Y HN -0.166 nan 8.280 nan 0.000 0.518 111 V N 0.278 119.797 119.914 -0.659 0.000 2.427 111 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 111 V C 1.766 177.728 176.094 -0.221 0.000 1.051 111 V CA 1.854 63.966 62.300 -0.313 0.000 1.048 111 V CB -0.472 31.219 31.823 -0.220 0.000 0.666 111 V HN 0.455 nan 8.190 nan 0.000 0.456 112 N N 0.412 118.952 118.700 -0.267 0.000 2.354 112 N HA 0.027 4.767 4.740 -0.000 0.000 0.179 112 N C 1.862 177.246 175.510 -0.210 0.000 1.021 112 N CA 1.256 54.193 53.050 -0.188 0.000 0.887 112 N CB -0.177 38.211 38.487 -0.165 0.000 0.974 112 N HN 0.470 nan 8.380 nan 0.000 0.437 113 A N 0.731 123.341 122.820 -0.351 0.000 1.972 113 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 113 A C 2.036 179.469 177.584 -0.250 0.000 1.169 113 A CA 1.625 53.426 52.037 -0.393 0.000 0.635 113 A CB -0.396 18.106 19.000 -0.829 0.000 0.810 113 A HN 0.206 nan 8.150 nan 0.000 0.446 114 V N -3.606 116.195 119.914 -0.188 0.000 3.542 114 V HA 0.260 4.380 4.120 -0.000 0.000 0.296 114 V C 1.526 177.645 176.094 0.041 0.000 1.364 114 V CA 0.951 63.245 62.300 -0.011 0.000 1.118 114 V CB -0.315 31.590 31.823 0.137 0.000 0.972 114 V HN 0.404 nan 8.190 nan 0.000 0.430 115 K N 1.714 122.116 120.400 0.003 0.000 2.057 115 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 115 K C 1.159 177.775 176.600 0.026 0.000 1.050 115 K CA 1.773 58.072 56.287 0.021 0.000 0.935 115 K CB -0.014 32.484 32.500 -0.003 0.000 0.715 115 K HN 0.798 nan 8.250 nan 0.000 0.439 116 T N -3.992 110.572 114.554 0.018 0.000 2.907 116 T HA 0.305 4.655 4.350 -0.000 0.000 0.290 116 T C -2.440 172.277 174.700 0.029 0.000 1.066 116 T CA -2.057 60.056 62.100 0.022 0.000 1.012 116 T CB 1.827 70.703 68.868 0.013 0.000 1.184 116 T HN -0.265 nan 8.240 nan 0.000 0.522 117 P HA -0.024 nan 4.420 nan 0.000 0.215 117 P C 1.628 178.945 177.300 0.028 0.000 1.153 117 P CA 1.727 64.844 63.100 0.029 0.000 0.853 117 P CB -0.238 31.476 31.700 0.022 0.000 0.788 118 A N -0.115 122.717 122.820 0.021 0.000 1.898 118 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 118 A C 2.372 179.972 177.584 0.026 0.000 1.181 118 A CA 2.300 54.349 52.037 0.019 0.000 0.620 118 A CB -1.597 17.410 19.000 0.011 0.000 0.819 118 A HN 0.333 nan 8.150 nan 0.000 0.442 119 S N -0.125 115.589 115.700 0.024 0.000 2.368 119 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 119 S C 2.040 176.686 174.600 0.077 0.000 1.029 119 S CA 1.060 59.276 58.200 0.026 0.000 0.988 119 S CB -0.462 62.732 63.200 -0.009 0.000 0.838 119 S HN 0.598 nan 8.310 nan 0.000 0.462 120 R N 1.590 122.138 120.500 0.079 0.000 2.073 120 R HA 0.071 4.411 4.340 -0.000 0.000 0.234 120 R C 2.850 179.222 176.300 0.120 0.000 1.134 120 R CA 1.316 57.496 56.100 0.133 0.000 0.952 120 R CB -0.932 29.424 30.300 0.094 0.000 0.850 120 R HN 0.560 nan 8.270 nan 0.000 0.433 121 A N 1.704 124.563 122.820 0.064 0.000 1.883 121 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 121 A C 2.111 179.712 177.584 0.028 0.000 1.186 121 A CA 1.695 53.752 52.037 0.033 0.000 0.624 121 A CB -0.469 18.544 19.000 0.021 0.000 0.822 121 A HN 0.249 nan 8.150 nan 0.000 0.444 122 K N -1.785 118.642 120.400 0.045 0.000 2.097 122 K HA -0.165 4.154 4.320 -0.000 0.000 0.206 122 K C 1.808 178.443 176.600 0.059 0.000 1.049 122 K CA 1.664 57.974 56.287 0.039 0.000 0.933 122 K CB -0.292 32.233 32.500 0.041 0.000 0.717 122 K HN 0.437 nan 8.250 nan 0.000 0.442 123 F N 1.183 121.109 119.950 -0.041 0.000 2.098 123 F HA 0.010 4.537 4.527 -0.000 0.000 0.294 123 F C 2.024 177.807 175.800 -0.028 0.000 1.107 123 F CA 1.264 59.232 58.000 -0.052 0.000 1.234 123 F CB -0.724 38.232 39.000 -0.074 0.000 1.002 123 F HN 0.044 nan 8.300 nan 0.000 0.472 124 A N 0.173 122.853 122.820 -0.234 0.000 1.940 124 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 124 A C 2.132 179.573 177.584 -0.239 0.000 1.176 124 A CA 1.990 53.849 52.037 -0.298 0.000 0.631 124 A CB -0.896 18.047 19.000 -0.095 0.000 0.814 124 A HN 0.646 nan 8.150 nan 0.000 0.446 125 Q N -0.008 119.706 119.800 -0.143 0.000 2.119 125 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 125 Q C 2.420 178.353 176.000 -0.112 0.000 0.972 125 Q CA 1.708 57.452 55.803 -0.099 0.000 0.847 125 Q CB -0.243 28.464 28.738 -0.051 0.000 0.903 125 Q HN 0.864 nan 8.270 nan 0.000 0.433 126 S N -0.188 115.426 115.700 -0.143 0.000 2.402 126 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 126 S C 2.136 176.655 174.600 -0.136 0.000 1.021 126 S CA 0.906 59.040 58.200 -0.111 0.000 0.974 126 S CB -0.632 62.522 63.200 -0.077 0.000 0.800 126 S HN 0.368 nan 8.310 nan 0.000 0.484 127 C N 1.313 120.453 119.300 -0.266 0.000 2.436 127 C HA 0.020 4.480 4.460 -0.000 0.000 0.277 127 C C 2.826 177.838 174.990 0.037 0.000 1.241 127 C CA 0.755 59.696 59.018 -0.130 0.000 1.721 127 C CB -1.327 26.214 27.740 -0.332 0.000 2.043 127 C HN 0.534 nan 8.230 nan 0.000 0.472 128 V N 0.748 120.631 119.914 -0.053 0.000 2.358 128 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 128 V C 2.598 178.681 176.094 -0.019 0.000 1.047 128 V CA 1.712 63.985 62.300 -0.044 0.000 1.035 128 V CB -0.739 31.031 31.823 -0.088 0.000 0.658 128 V HN 0.465 nan 8.190 nan 0.000 0.452 129 R N -0.308 120.179 120.500 -0.022 0.000 2.096 129 R HA -0.162 4.178 4.340 -0.000 0.000 0.240 129 R C 2.292 178.621 176.300 0.048 0.000 1.139 129 R CA 1.721 57.821 56.100 0.001 0.000 0.952 129 R CB -0.465 29.835 30.300 -0.001 0.000 0.854 129 R HN 0.362 nan 8.270 nan 0.000 0.436 130 I N 0.883 121.483 120.570 0.049 0.000 2.226 130 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 130 I C 2.518 178.718 176.117 0.137 0.000 1.100 130 I CA 1.311 62.657 61.300 0.077 0.000 1.374 130 I CB -0.758 37.127 38.000 -0.192 0.000 1.057 130 I HN 0.318 nan 8.210 nan 0.000 0.413 131 M N 0.499 120.192 119.600 0.155 0.000 2.065 131 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 131 M C 2.233 178.646 176.300 0.189 0.000 1.071 131 M CA 1.918 57.424 55.300 0.343 0.000 1.109 131 M CB -0.142 32.623 32.600 0.275 0.000 1.313 131 M HN -0.010 nan 8.290 nan 0.000 0.408 132 K N 0.169 120.601 120.400 0.053 0.000 2.057 132 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 132 K C 1.726 178.318 176.600 -0.013 0.000 1.050 132 K CA 1.416 57.704 56.287 0.002 0.000 0.935 132 K CB -0.941 31.536 32.500 -0.037 0.000 0.715 132 K HN 0.440 nan 8.250 nan 0.000 0.439 133 D N -0.085 120.316 120.400 0.001 0.000 2.117 133 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 133 D C 1.396 177.512 176.300 -0.306 0.000 0.987 133 D CA 1.181 55.111 54.000 -0.117 0.000 0.829 133 D CB 0.055 40.817 40.800 -0.063 0.000 0.961 133 D HN 0.203 nan 8.370 nan 0.000 0.460 134 Y N -1.016 119.197 120.300 -0.144 0.000 2.482 134 Y HA 0.299 4.849 4.550 -0.000 0.000 0.270 134 Y C 1.809 177.431 175.900 -0.462 0.000 1.152 134 Y CA 0.553 58.461 58.100 -0.321 0.000 1.292 134 Y CB 0.730 38.960 38.460 -0.385 0.000 1.070 134 Y HN 0.096 nan 8.280 nan 0.000 0.528 135 G N -0.642 108.046 108.800 -0.188 0.000 2.131 135 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.223 135 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.223 135 G C -0.077 174.785 174.900 -0.064 0.000 0.990 135 G CA -0.504 44.516 45.100 -0.134 0.000 0.671 135 G HN 0.107 nan 8.290 nan 0.000 0.521 136 F N 0.790 120.849 119.950 0.180 0.000 2.444 136 F HA 0.424 4.951 4.527 -0.000 0.000 0.331 136 F C 1.383 177.340 175.800 0.262 0.000 1.167 136 F CA -0.246 57.902 58.000 0.247 0.000 1.262 136 F CB 0.596 39.844 39.000 0.413 0.000 1.196 136 F HN -0.027 nan 8.300 nan 0.000 0.583 137 D N 0.171 120.871 120.400 0.500 0.000 2.369 137 D HA 0.283 4.922 4.640 -0.000 0.000 0.211 137 D C 0.740 177.294 176.300 0.424 0.000 1.077 137 D CA 0.476 54.734 54.000 0.430 0.000 0.842 137 D CB 0.770 41.725 40.800 0.258 0.000 0.947 137 D HN 0.623 nan 8.370 nan 0.000 0.509 138 G N -0.467 108.526 108.800 0.323 0.000 2.349 138 G HA2 0.375 4.335 3.960 -0.000 0.000 0.294 138 G HA3 0.375 4.335 3.960 -0.000 0.000 0.294 138 G C -1.887 172.943 174.900 -0.118 0.000 1.380 138 G CA -0.549 44.645 45.100 0.157 0.000 0.811 138 G HN -0.075 nan 8.290 nan 0.000 0.519 139 V N 0.641 120.408 119.914 -0.244 0.000 2.487 139 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 139 V C -1.058 174.839 176.094 -0.329 0.000 1.028 139 V CA -0.472 61.483 62.300 -0.575 0.000 0.860 139 V CB 1.717 33.299 31.823 -0.402 0.000 0.991 139 V HN 0.862 nan 8.190 nan 0.000 0.427 140 D N 3.834 124.021 120.400 -0.356 0.000 2.375 140 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 140 D C -0.857 175.453 176.300 0.016 0.000 1.061 140 D CA -0.296 53.648 54.000 -0.092 0.000 0.834 140 D CB 1.476 42.254 40.800 -0.035 0.000 1.247 140 D HN 0.444 nan 8.370 nan 0.000 0.489 141 I N 3.608 124.257 120.570 0.133 0.000 2.362 141 I HA 0.299 4.468 4.170 -0.000 0.000 0.289 141 I C 0.051 176.339 176.117 0.284 0.000 0.994 141 I CA -0.583 60.866 61.300 0.249 0.000 1.158 141 I CB 1.617 39.810 38.000 0.321 0.000 1.315 141 I HN 0.446 nan 8.210 nan 0.000 0.451 142 N N 6.658 125.512 118.700 0.255 0.000 2.818 142 N HA 0.087 4.827 4.740 -0.000 0.000 0.301 142 N C -1.102 174.381 175.510 -0.045 0.000 1.821 142 N CA -0.561 52.558 53.050 0.115 0.000 0.930 142 N CB 0.610 39.190 38.487 0.155 0.000 1.263 142 N HN 0.542 nan 8.380 nan 0.000 0.487 143 W N 2.827 123.995 121.300 -0.219 0.000 2.358 143 W HA 0.275 4.934 4.660 -0.000 0.000 0.307 143 W C -0.820 175.309 176.519 -0.651 0.000 1.203 143 W CA -0.860 56.224 57.345 -0.436 0.000 1.279 143 W CB 0.109 29.423 29.460 -0.244 0.000 1.264 143 W HN 0.223 nan 8.180 nan 0.000 0.474 144 E N 7.077 126.957 120.200 -0.532 0.000 2.173 144 E HA 0.254 4.604 4.350 -0.000 0.000 0.249 144 E C -1.457 174.667 176.600 -0.794 0.000 0.923 144 E CA -0.441 55.103 56.400 -1.426 0.000 0.754 144 E CB 0.811 29.713 29.700 -1.331 0.000 1.177 144 E HN 0.335 nan 8.360 nan 0.000 0.430 145 Y N 0.709 120.808 120.300 -0.335 0.000 2.597 145 Y HA 0.314 4.864 4.550 -0.000 0.000 0.340 145 Y C -2.390 172.870 175.900 -1.066 0.000 1.097 145 Y CA -2.758 54.958 58.100 -0.640 0.000 1.037 145 Y CB 1.735 40.038 38.460 -0.262 0.000 1.305 145 Y HN 0.267 nan 8.280 nan 0.000 0.463 146 P HA 0.035 nan 4.420 nan 0.000 0.271 146 P C -0.878 176.094 177.300 -0.546 0.000 1.216 146 P CA -0.100 61.996 63.100 -1.674 0.000 0.771 146 P CB 0.951 31.457 31.700 -1.990 0.000 0.864 147 Q N 1.863 121.518 119.800 -0.242 0.000 2.443 147 Q HA 0.147 4.487 4.340 -0.000 0.000 0.232 147 Q C 1.702 177.662 176.000 -0.067 0.000 1.026 147 Q CA -0.103 55.660 55.803 -0.067 0.000 0.924 147 Q CB 0.365 29.114 28.738 0.018 0.000 1.256 147 Q HN 0.522 nan 8.270 nan 0.000 0.519 148 A N 1.136 123.940 122.820 -0.026 0.000 1.948 148 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 148 A C 1.934 179.520 177.584 0.004 0.000 1.177 148 A CA 2.212 54.242 52.037 -0.011 0.000 0.636 148 A CB -0.673 18.317 19.000 -0.017 0.000 0.815 148 A HN 0.769 nan 8.150 nan 0.000 0.449 149 A N -0.307 122.520 122.820 0.011 0.000 2.066 149 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 149 A C 1.673 179.284 177.584 0.045 0.000 1.157 149 A CA 1.291 53.345 52.037 0.028 0.000 0.670 149 A CB -0.345 18.675 19.000 0.033 0.000 0.804 149 A HN 0.676 nan 8.150 nan 0.000 0.453 150 E N -0.326 119.895 120.200 0.035 0.000 2.479 150 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 150 E C 1.348 177.990 176.600 0.069 0.000 1.049 150 E CA 0.194 56.638 56.400 0.073 0.000 0.870 150 E CB 0.148 29.910 29.700 0.104 0.000 0.944 150 E HN 0.379 nan 8.360 nan 0.000 0.492 151 V N 1.912 121.849 119.914 0.039 0.000 2.358 151 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 151 V C 1.659 177.861 176.094 0.179 0.000 1.047 151 V CA 1.922 64.285 62.300 0.105 0.000 1.035 151 V CB -0.317 31.560 31.823 0.090 0.000 0.658 151 V HN 0.202 nan 8.190 nan 0.000 0.452 152 D N 0.851 121.324 120.400 0.121 0.000 2.149 152 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 152 D C 2.196 178.569 176.300 0.121 0.000 0.990 152 D CA 1.704 55.766 54.000 0.105 0.000 0.839 152 D CB -0.569 40.275 40.800 0.074 0.000 0.948 152 D HN 0.480 nan 8.370 nan 0.000 0.460 153 G N -0.128 108.761 108.800 0.148 0.000 2.403 153 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 153 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 153 G C 1.467 176.499 174.900 0.220 0.000 1.154 153 G CA 0.197 45.391 45.100 0.157 0.000 0.784 153 G HN 0.228 nan 8.290 nan 0.000 0.538 154 F N 1.515 121.535 119.950 0.118 0.000 2.102 154 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 154 F C 2.420 178.277 175.800 0.095 0.000 1.105 154 F CA 1.095 59.183 58.000 0.148 0.000 1.239 154 F CB -0.251 38.796 39.000 0.078 0.000 0.991 154 F HN 0.097 nan 8.300 nan 0.000 0.474 155 I N 0.279 120.873 120.570 0.040 0.000 2.113 155 I HA -0.326 3.844 4.170 -0.000 0.000 0.238 155 I C 2.724 178.801 176.117 -0.067 0.000 1.070 155 I CA 1.392 62.645 61.300 -0.079 0.000 1.332 155 I CB -1.074 36.944 38.000 0.030 0.000 1.044 155 I HN 0.225 nan 8.210 nan 0.000 0.402 156 A N 0.705 123.528 122.820 0.006 0.000 1.986 156 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 156 A C 2.487 180.072 177.584 0.002 0.000 1.171 156 A CA 2.073 54.117 52.037 0.011 0.000 0.640 156 A CB -0.824 18.198 19.000 0.037 0.000 0.811 156 A HN 0.499 nan 8.150 nan 0.000 0.451 157 A N -0.378 122.447 122.820 0.008 0.000 1.898 157 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 157 A C 2.121 179.687 177.584 -0.030 0.000 1.181 157 A CA 1.410 53.470 52.037 0.038 0.000 0.620 157 A CB -0.540 18.533 19.000 0.122 0.000 0.819 157 A HN 0.477 nan 8.150 nan 0.000 0.442 158 L N -0.913 120.220 121.223 -0.150 0.000 2.141 158 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 158 L C 2.795 179.610 176.870 -0.091 0.000 1.094 158 L CA 1.265 56.005 54.840 -0.165 0.000 0.763 158 L CB -0.490 41.399 42.059 -0.283 0.000 0.908 158 L HN 0.476 nan 8.230 nan 0.000 0.437 159 Q N -0.491 119.268 119.800 -0.069 0.000 2.119 159 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 159 Q C 2.164 178.149 176.000 -0.025 0.000 0.972 159 Q CA 1.086 56.866 55.803 -0.038 0.000 0.847 159 Q CB 0.082 28.805 28.738 -0.024 0.000 0.903 159 Q HN 0.361 nan 8.270 nan 0.000 0.433 160 E N 0.558 120.747 120.200 -0.019 0.000 2.072 160 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 160 E C 1.955 178.539 176.600 -0.027 0.000 0.985 160 E CA 0.822 57.215 56.400 -0.013 0.000 0.801 160 E CB -0.064 29.638 29.700 0.004 0.000 0.750 160 E HN 0.406 nan 8.360 nan 0.000 0.452 161 I N 0.861 121.406 120.570 -0.041 0.000 2.252 161 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 161 I C 2.573 178.665 176.117 -0.041 0.000 1.102 161 I CA 0.876 62.140 61.300 -0.061 0.000 1.385 161 I CB -0.154 37.798 38.000 -0.080 0.000 1.064 161 I HN 0.004 nan 8.210 nan 0.000 0.414 162 R N 1.089 121.569 120.500 -0.034 0.000 2.081 162 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 162 R C 2.117 178.413 176.300 -0.006 0.000 1.131 162 R CA 2.306 58.395 56.100 -0.019 0.000 0.960 162 R CB -1.245 29.040 30.300 -0.025 0.000 0.856 162 R HN 0.195 nan 8.270 nan 0.000 0.436 163 T N 1.391 115.939 114.554 -0.010 0.000 2.684 163 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 163 T C 1.736 176.436 174.700 0.001 0.000 1.036 163 T CA 1.732 63.831 62.100 -0.003 0.000 1.148 163 T CB -0.219 68.646 68.868 -0.005 0.000 0.863 163 T HN 0.161 nan 8.240 nan 0.000 0.436 164 L N 0.339 121.556 121.223 -0.011 0.000 2.056 164 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 164 L C 2.529 179.398 176.870 -0.002 0.000 1.078 164 L CA 1.080 55.912 54.840 -0.015 0.000 0.749 164 L CB -0.640 41.396 42.059 -0.038 0.000 0.901 164 L HN 0.262 nan 8.230 nan 0.000 0.433 165 L N -0.336 120.889 121.223 0.004 0.000 2.046 165 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 165 L C 2.356 179.300 176.870 0.124 0.000 1.077 165 L CA 1.066 55.936 54.840 0.051 0.000 0.747 165 L CB -0.620 41.477 42.059 0.063 0.000 0.896 165 L HN 0.336 nan 8.230 nan 0.000 0.432 166 N N -0.052 118.693 118.700 0.075 0.000 2.120 166 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 166 N C 1.883 177.436 175.510 0.071 0.000 1.024 166 N CA 1.159 54.250 53.050 0.069 0.000 0.852 166 N CB -0.177 38.330 38.487 0.034 0.000 1.003 166 N HN 0.395 nan 8.380 nan 0.000 0.424 167 Q N -0.102 119.730 119.800 0.054 0.000 2.084 167 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 167 Q C 1.872 177.917 176.000 0.075 0.000 0.978 167 Q CA 1.151 56.983 55.803 0.047 0.000 0.844 167 Q CB -0.084 28.669 28.738 0.026 0.000 0.898 167 Q HN 0.270 nan 8.270 nan 0.000 0.426 168 Q N 0.080 119.939 119.800 0.100 0.000 2.119 168 Q HA -0.102 4.237 4.340 -0.000 0.000 0.201 168 Q C 1.853 178.040 176.000 0.311 0.000 0.972 168 Q CA 1.688 57.581 55.803 0.149 0.000 0.847 168 Q CB -0.216 28.540 28.738 0.030 0.000 0.903 168 Q HN 0.266 nan 8.270 nan 0.000 0.433 169 T N 0.279 115.034 114.554 0.335 0.000 2.720 169 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 169 T C 1.640 176.381 174.700 0.069 0.000 1.037 169 T CA 1.529 63.729 62.100 0.167 0.000 1.144 169 T CB -0.230 68.677 68.868 0.064 0.000 0.864 169 T HN 0.228 nan 8.240 nan 0.000 0.444 170 I N 0.968 121.579 120.570 0.068 0.000 2.252 170 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 170 I C 2.694 178.836 176.117 0.043 0.000 1.102 170 I CA 1.137 62.460 61.300 0.037 0.000 1.385 170 I CB -0.559 37.459 38.000 0.030 0.000 1.064 170 I HN 0.192 nan 8.210 nan 0.000 0.414 171 T N -0.060 114.532 114.554 0.063 0.000 2.833 171 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 171 T C 1.083 175.821 174.700 0.063 0.000 1.054 171 T CA 1.441 63.574 62.100 0.056 0.000 1.135 171 T CB -0.244 68.658 68.868 0.058 0.000 0.869 171 T HN 0.275 nan 8.240 nan 0.000 0.466 172 D N 0.084 120.541 120.400 0.095 0.000 2.340 172 D HA 0.271 4.911 4.640 -0.000 0.000 0.217 172 D C 1.366 177.681 176.300 0.025 0.000 1.081 172 D CA 0.206 54.258 54.000 0.088 0.000 0.842 172 D CB -0.240 40.676 40.800 0.194 0.000 0.934 172 D HN 0.390 nan 8.370 nan 0.000 0.511 173 G N 1.925 110.729 108.800 0.007 0.000 2.305 173 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.287 173 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.287 173 G C 0.785 175.653 174.900 -0.054 0.000 1.036 173 G CA -0.131 44.958 45.100 -0.018 0.000 0.887 173 G HN 0.196 nan 8.290 nan 0.000 0.505 174 R N -0.692 119.749 120.500 -0.098 0.000 2.721 174 R HA 0.166 4.506 4.340 -0.000 0.000 0.296 174 R C 1.930 178.140 176.300 -0.150 0.000 1.174 174 R CA 0.080 56.070 56.100 -0.184 0.000 1.129 174 R CB 0.180 30.225 30.300 -0.425 0.000 1.316 174 R HN 0.557 nan 8.270 nan 0.000 0.571 175 Q N 0.271 120.019 119.800 -0.086 0.000 2.181 175 Q HA -0.093 4.247 4.340 -0.000 0.000 0.205 175 Q C 1.902 177.864 176.000 -0.063 0.000 0.980 175 Q CA 2.050 57.816 55.803 -0.062 0.000 0.862 175 Q CB -0.118 28.597 28.738 -0.038 0.000 0.905 175 Q HN 0.337 nan 8.270 nan 0.000 0.429 176 A N -0.812 121.969 122.820 -0.066 0.000 2.119 176 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 176 A C 0.723 178.269 177.584 -0.065 0.000 1.152 176 A CA 0.470 52.474 52.037 -0.054 0.000 0.708 176 A CB 0.353 19.326 19.000 -0.046 0.000 0.805 176 A HN 0.274 nan 8.150 nan 0.000 0.460 177 L N -0.050 121.112 121.223 -0.101 0.000 2.420 177 L HA 0.375 4.715 4.340 -0.000 0.000 0.260 177 L C -3.010 173.746 176.870 -0.191 0.000 1.508 177 L CA -1.639 53.133 54.840 -0.112 0.000 0.835 177 L CB 1.444 43.440 42.059 -0.105 0.000 1.018 177 L HN -0.145 nan 8.230 nan 0.000 0.520 178 P HA 0.060 nan 4.420 nan 0.000 0.267 178 P C -0.968 176.244 177.300 -0.147 0.000 1.200 178 P CA 0.298 63.288 63.100 -0.182 0.000 0.772 178 P CB 0.185 31.844 31.700 -0.068 0.000 0.855 179 Y N 0.922 121.242 120.300 0.033 0.000 2.497 179 Y HA 0.118 4.668 4.550 -0.000 0.000 0.334 179 Y C 1.386 177.308 175.900 0.036 0.000 1.199 179 Y CA 0.804 58.932 58.100 0.046 0.000 1.425 179 Y CB 0.089 38.578 38.460 0.048 0.000 1.291 179 Y HN 0.331 nan 8.280 nan 0.000 0.562 180 Q N 1.710 121.639 119.800 0.216 0.000 2.416 180 Q HA 0.681 5.021 4.340 -0.000 0.000 0.279 180 Q C -1.711 174.336 176.000 0.077 0.000 1.101 180 Q CA -1.399 54.480 55.803 0.126 0.000 0.830 180 Q CB 2.827 31.660 28.738 0.159 0.000 1.402 180 Q HN 0.518 nan 8.270 nan 0.000 0.445 181 L N 0.702 121.945 121.223 0.032 0.000 2.409 181 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 181 L C -1.114 175.761 176.870 0.007 0.000 0.980 181 L CA 0.093 54.929 54.840 -0.007 0.000 0.826 181 L CB 2.111 44.155 42.059 -0.026 0.000 1.268 181 L HN 0.832 nan 8.230 nan 0.000 0.407 182 T N 2.703 117.266 114.554 0.015 0.000 2.865 182 T HA 0.832 5.182 4.350 -0.000 0.000 0.294 182 T C -0.383 174.363 174.700 0.077 0.000 1.119 182 T CA -0.605 61.531 62.100 0.060 0.000 1.007 182 T CB 1.598 70.517 68.868 0.084 0.000 1.225 182 T HN 0.864 nan 8.240 nan 0.000 0.515 183 I N -1.801 118.844 120.570 0.125 0.000 2.969 183 I HA 0.896 5.066 4.170 -0.000 0.000 0.307 183 I C -0.748 175.493 176.117 0.207 0.000 1.149 183 I CA -1.831 59.577 61.300 0.180 0.000 1.008 183 I CB 1.907 40.035 38.000 0.213 0.000 1.232 183 I HN 0.939 nan 8.210 nan 0.000 0.435 184 A N 2.885 125.848 122.820 0.237 0.000 2.274 184 A HA 0.805 5.125 4.320 -0.000 0.000 0.309 184 A C 0.126 177.827 177.584 0.196 0.000 1.226 184 A CA -0.122 52.052 52.037 0.229 0.000 0.853 184 A CB 0.425 19.550 19.000 0.210 0.000 1.146 184 A HN 1.100 nan 8.150 nan 0.000 0.518 185 G N 0.673 109.595 108.800 0.203 0.000 2.432 185 G HA2 0.635 4.595 3.960 -0.000 0.000 0.331 185 G HA3 0.635 4.595 3.960 -0.000 0.000 0.331 185 G C 0.184 175.271 174.900 0.311 0.000 1.170 185 G CA -0.040 45.240 45.100 0.300 0.000 0.943 185 G HN 1.387 nan 8.290 nan 0.000 0.483 186 A N -0.189 122.888 122.820 0.427 0.000 2.531 186 A HA 0.501 4.821 4.320 -0.000 0.000 0.236 186 A C 1.404 179.073 177.584 0.141 0.000 1.062 186 A CA 0.619 52.776 52.037 0.200 0.000 0.760 186 A CB 0.438 19.372 19.000 -0.111 0.000 0.995 186 A HN 1.466 nan 8.150 nan 0.000 0.501 187 G N 1.180 110.009 108.800 0.048 0.000 3.159 187 G HA2 0.459 4.419 3.960 -0.000 0.000 0.232 187 G HA3 0.459 4.419 3.960 -0.000 0.000 0.232 187 G C 0.469 175.385 174.900 0.027 0.000 1.116 187 G CA 0.622 45.731 45.100 0.016 0.000 0.767 187 G HN 1.200 nan 8.290 nan 0.000 0.547 188 G N -1.209 107.613 108.800 0.036 0.000 2.482 188 G HA2 0.527 4.487 3.960 -0.000 0.000 0.317 188 G HA3 0.527 4.487 3.960 -0.000 0.000 0.317 188 G C 0.816 175.665 174.900 -0.086 0.000 1.241 188 G CA 0.284 45.399 45.100 0.025 0.000 0.967 188 G HN 0.254 nan 8.290 nan 0.000 0.482 189 A N 1.140 123.840 122.820 -0.200 0.000 1.978 189 A HA 0.045 4.365 4.320 -0.000 0.000 0.220 189 A C 1.883 179.154 177.584 -0.521 0.000 1.170 189 A CA 1.408 53.176 52.037 -0.449 0.000 0.636 189 A CB -0.538 18.131 19.000 -0.552 0.000 0.810 189 A HN 0.621 nan 8.150 nan 0.000 0.448 190 F N -1.480 118.344 119.950 -0.211 0.000 2.075 190 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 190 F C 2.054 177.548 175.800 -0.510 0.000 1.113 190 F CA 1.485 59.270 58.000 -0.357 0.000 1.218 190 F CB -0.596 38.160 39.000 -0.406 0.000 0.984 190 F HN 0.212 nan 8.300 nan 0.000 0.472 191 F N -0.784 119.072 119.950 -0.156 0.000 2.367 191 F HA -0.052 4.474 4.527 -0.000 0.000 0.298 191 F C 2.088 177.543 175.800 -0.575 0.000 1.094 191 F CA 0.390 58.134 58.000 -0.425 0.000 1.409 191 F CB -0.804 37.723 39.000 -0.788 0.000 1.064 191 F HN -0.109 nan 8.300 nan 0.000 0.528 192 L N 0.457 121.443 121.223 -0.395 0.000 2.083 192 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 192 L C 2.562 178.990 176.870 -0.737 0.000 1.083 192 L CA 2.073 56.515 54.840 -0.663 0.000 0.752 192 L CB -1.190 40.595 42.059 -0.458 0.000 0.899 192 L HN 0.184 nan 8.230 nan 0.000 0.433 193 S N -1.012 114.372 115.700 -0.525 0.000 2.465 193 S HA -0.230 4.240 4.470 -0.000 0.000 0.241 193 S C 2.043 176.453 174.600 -0.317 0.000 1.000 193 S CA 0.959 58.900 58.200 -0.431 0.000 0.964 193 S CB -0.706 62.267 63.200 -0.378 0.000 0.763 193 S HN 0.568 nan 8.310 nan 0.000 0.512 194 R N 0.260 120.576 120.500 -0.308 0.000 2.096 194 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 194 R C 1.634 177.896 176.300 -0.064 0.000 1.127 194 R CA 1.820 57.835 56.100 -0.141 0.000 0.968 194 R CB -0.324 29.959 30.300 -0.028 0.000 0.861 194 R HN 0.910 nan 8.270 nan 0.000 0.440 195 Y N -5.270 114.985 120.300 -0.074 0.000 2.563 195 Y HA 0.223 4.773 4.550 -0.000 0.000 0.250 195 Y C 1.331 177.222 175.900 -0.016 0.000 1.126 195 Y CA -1.229 56.842 58.100 -0.047 0.000 1.231 195 Y CB -0.691 37.738 38.460 -0.052 0.000 1.288 195 Y HN -0.132 nan 8.280 nan 0.000 0.537 196 Y N 2.797 122.841 120.300 -0.427 0.000 2.139 196 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 196 Y C 2.646 178.437 175.900 -0.182 0.000 1.179 196 Y CA 2.339 60.229 58.100 -0.350 0.000 1.161 196 Y CB -0.425 37.754 38.460 -0.468 0.000 0.970 196 Y HN 0.370 nan 8.280 nan 0.000 0.511 197 S N -0.852 114.742 115.700 -0.177 0.000 2.447 197 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 197 S C 1.280 175.789 174.600 -0.152 0.000 1.006 197 S CA 1.210 59.273 58.200 -0.228 0.000 0.957 197 S CB -0.332 62.778 63.200 -0.151 0.000 0.773 197 S HN 0.512 nan 8.310 nan 0.000 0.507 198 K N 0.491 120.854 120.400 -0.062 0.000 2.699 198 K HA 0.444 4.764 4.320 -0.000 0.000 0.210 198 K C 0.762 177.383 176.600 0.035 0.000 1.076 198 K CA -0.183 56.106 56.287 0.003 0.000 1.109 198 K CB 0.210 32.743 32.500 0.055 0.000 0.862 198 K HN 0.237 nan 8.250 nan 0.000 0.470 199 L N 0.523 121.726 121.223 -0.033 0.000 2.083 199 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 199 L C 2.354 179.250 176.870 0.044 0.000 1.083 199 L CA 1.427 56.287 54.840 0.032 0.000 0.752 199 L CB -0.299 41.704 42.059 -0.093 0.000 0.899 199 L HN 0.395 nan 8.230 nan 0.000 0.433 200 A N -0.695 122.129 122.820 0.008 0.000 1.933 200 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 200 A C 2.130 179.733 177.584 0.031 0.000 1.175 200 A CA 1.608 53.661 52.037 0.026 0.000 0.628 200 A CB -0.407 18.606 19.000 0.022 0.000 0.814 200 A HN 0.510 nan 8.150 nan 0.000 0.444 201 Q N -0.805 119.014 119.800 0.031 0.000 2.172 201 Q HA 0.022 4.362 4.340 -0.000 0.000 0.200 201 Q C 1.967 177.981 176.000 0.022 0.000 0.964 201 Q CA 1.135 56.955 55.803 0.027 0.000 0.855 201 Q CB -0.185 28.572 28.738 0.032 0.000 0.918 201 Q HN 0.735 nan 8.270 nan 0.000 0.444 202 I N -0.197 120.401 120.570 0.048 0.000 2.353 202 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 202 I C 1.867 177.998 176.117 0.024 0.000 1.119 202 I CA 0.772 62.096 61.300 0.040 0.000 1.417 202 I CB 0.101 38.169 38.000 0.114 0.000 1.078 202 I HN 0.026 nan 8.210 nan 0.000 0.421 203 V N 0.667 120.612 119.914 0.052 0.000 3.052 203 V HA -0.026 4.094 4.120 -0.000 0.000 0.254 203 V C 2.563 178.666 176.094 0.015 0.000 1.100 203 V CA 1.173 63.503 62.300 0.050 0.000 1.112 203 V CB -0.351 31.524 31.823 0.086 0.000 0.738 203 V HN 0.396 nan 8.190 nan 0.000 0.469 204 A N 1.658 124.483 122.820 0.008 0.000 1.883 204 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 204 A C 0.620 178.191 177.584 -0.020 0.000 1.186 204 A CA 2.131 54.166 52.037 -0.004 0.000 0.624 204 A CB -1.731 17.269 19.000 -0.000 0.000 0.822 204 A HN 0.587 nan 8.150 nan 0.000 0.444 205 P HA 0.155 nan 4.420 nan 0.000 0.245 205 P C -0.046 177.227 177.300 -0.044 0.000 1.212 205 P CA 0.408 63.484 63.100 -0.039 0.000 0.774 205 P CB -0.079 31.589 31.700 -0.053 0.000 0.999 206 L N -0.202 120.996 121.223 -0.042 0.000 2.344 206 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 206 L C 1.390 178.199 176.870 -0.102 0.000 1.035 206 L CA -0.682 54.130 54.840 -0.046 0.000 0.807 206 L CB 1.028 43.082 42.059 -0.009 0.000 1.237 206 L HN -0.278 nan 8.230 nan 0.000 0.442 207 D N 0.203 120.512 120.400 -0.152 0.000 2.183 207 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 207 D C -0.600 175.296 176.300 -0.674 0.000 0.962 207 D CA 1.646 55.407 54.000 -0.398 0.000 0.849 207 D CB 0.463 41.055 40.800 -0.347 0.000 0.978 207 D HN 0.290 nan 8.370 nan 0.000 0.488 208 Y N -0.853 119.439 120.300 -0.014 0.000 2.581 208 Y HA 0.397 4.947 4.550 -0.000 0.000 0.337 208 Y C -0.742 175.161 175.900 0.004 0.000 1.108 208 Y CA -0.971 57.118 58.100 -0.018 0.000 1.033 208 Y CB 1.892 40.312 38.460 -0.068 0.000 1.318 208 Y HN -0.294 nan 8.280 nan 0.000 0.459 209 I N 2.510 123.200 120.570 0.200 0.000 2.382 209 I HA 0.463 4.633 4.170 -0.000 0.000 0.286 209 I C -1.248 174.938 176.117 0.115 0.000 1.002 209 I CA -0.419 60.970 61.300 0.148 0.000 1.135 209 I CB 0.596 38.682 38.000 0.144 0.000 1.288 209 I HN 0.688 nan 8.210 nan 0.000 0.448 210 N N 8.237 127.013 118.700 0.126 0.000 2.415 210 N HA 0.309 5.049 4.740 -0.000 0.000 0.246 210 N C -0.921 174.647 175.510 0.095 0.000 1.078 210 N CA -0.514 52.605 53.050 0.115 0.000 0.942 210 N CB 0.816 39.423 38.487 0.200 0.000 1.140 210 N HN 0.485 nan 8.380 nan 0.000 0.501 211 L N 2.789 124.023 121.223 0.018 0.000 2.360 211 L HA 0.171 4.511 4.340 -0.000 0.000 0.276 211 L C 0.677 177.487 176.870 -0.100 0.000 1.121 211 L CA 0.023 54.836 54.840 -0.045 0.000 0.845 211 L CB 0.458 42.443 42.059 -0.124 0.000 1.143 211 L HN 0.518 nan 8.230 nan 0.000 0.452 212 M N 3.407 122.890 119.600 -0.195 0.000 3.422 212 M HA 0.071 4.551 4.480 -0.000 0.000 0.248 212 M C 0.330 176.200 176.300 -0.718 0.000 1.433 212 M CA -0.174 54.719 55.300 -0.678 0.000 1.592 212 M CB -0.503 31.805 32.600 -0.488 0.000 1.078 212 M HN 0.530 nan 8.290 nan 0.000 0.578 213 T N -0.010 114.266 114.554 -0.463 0.000 4.309 213 T HA 0.292 4.642 4.350 -0.000 0.000 0.242 213 T C -0.543 174.123 174.700 -0.057 0.000 1.142 213 T CA -0.235 61.754 62.100 -0.186 0.000 1.042 213 T CB -1.179 67.657 68.868 -0.052 0.000 1.366 213 T HN 0.525 nan 8.240 nan 0.000 0.942 214 Y N -3.009 117.372 120.300 0.134 0.000 2.764 214 Y HA 0.564 5.114 4.550 -0.000 0.000 0.331 214 Y C -0.266 175.751 175.900 0.196 0.000 1.280 214 Y CA -2.006 56.188 58.100 0.157 0.000 1.065 214 Y CB -0.040 38.532 38.460 0.186 0.000 1.319 214 Y HN 0.110 nan 8.280 nan 0.000 0.453 215 D N -0.052 120.658 120.400 0.516 0.000 2.911 215 D HA -0.165 4.475 4.640 -0.000 0.000 0.227 215 D C 0.432 176.973 176.300 0.402 0.000 1.164 215 D CA 1.243 55.540 54.000 0.494 0.000 0.782 215 D CB -0.987 40.078 40.800 0.442 0.000 1.094 215 D HN 0.722 nan 8.370 nan 0.000 0.425 216 L N -1.626 119.753 121.223 0.259 0.000 2.599 216 L HA 0.312 4.652 4.340 -0.000 0.000 0.230 216 L C 1.123 178.058 176.870 0.110 0.000 1.141 216 L CA 0.758 55.687 54.840 0.148 0.000 0.877 216 L CB -0.048 42.054 42.059 0.073 0.000 1.009 216 L HN 0.207 nan 8.230 nan 0.000 0.447 217 A N -0.602 122.300 122.820 0.137 0.000 2.572 217 A HA 0.841 5.160 4.320 -0.000 0.000 0.295 217 A C -0.441 177.004 177.584 -0.232 0.000 1.072 217 A CA 0.021 52.077 52.037 0.032 0.000 0.691 217 A CB 1.771 20.856 19.000 0.141 0.000 1.291 217 A HN 0.074 nan 8.150 nan 0.000 0.404 218 G N -0.251 108.186 108.800 -0.605 0.000 2.387 218 G HA2 0.503 4.463 3.960 -0.000 0.000 0.294 218 G HA3 0.503 4.463 3.960 -0.000 0.000 0.294 218 G C -2.939 171.259 174.900 -1.169 0.000 1.509 218 G CA -0.412 43.842 45.100 -1.410 0.000 0.806 218 G HN 0.290 nan 8.290 nan 0.000 0.546 219 P HA -0.072 nan 4.420 nan 0.000 0.222 219 P C 1.278 178.635 177.300 0.095 0.000 1.142 219 P CA 1.681 64.548 63.100 -0.389 0.000 0.788 219 P CB -0.013 31.558 31.700 -0.215 0.000 0.767 220 W N -1.574 119.803 121.300 0.128 0.000 3.180 220 W HA 0.231 4.891 4.660 -0.000 0.000 0.254 220 W C 0.220 176.841 176.519 0.171 0.000 1.318 220 W CA -0.026 57.398 57.345 0.131 0.000 1.608 220 W CB -0.634 28.863 29.460 0.061 0.000 1.124 220 W HN -0.209 nan 8.180 nan 0.000 0.694 221 E N 0.821 121.011 120.200 -0.017 0.000 2.212 221 E HA 0.262 4.612 4.350 -0.000 0.000 0.270 221 E C 1.385 178.138 176.600 0.255 0.000 0.956 221 E CA 0.286 56.764 56.400 0.131 0.000 0.825 221 E CB 1.644 31.388 29.700 0.074 0.000 1.167 221 E HN 0.046 nan 8.360 nan 0.000 0.400 222 K N 1.504 122.010 120.400 0.176 0.000 2.026 222 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 222 K C 1.243 177.945 176.600 0.171 0.000 1.048 222 K CA 1.973 58.334 56.287 0.122 0.000 0.929 222 K CB -0.870 31.648 32.500 0.030 0.000 0.713 222 K HN 0.366 nan 8.250 nan 0.000 0.439 223 V N -0.315 119.664 119.914 0.108 0.000 2.667 223 V HA 0.622 4.742 4.120 -0.000 0.000 0.308 223 V C 0.170 176.198 176.094 -0.110 0.000 1.048 223 V CA -0.276 62.045 62.300 0.035 0.000 0.928 223 V CB 1.132 32.931 31.823 -0.039 0.000 1.004 223 V HN 0.581 nan 8.190 nan 0.000 0.444 224 T N 2.088 116.398 114.554 -0.405 0.000 2.932 224 T HA 0.339 4.689 4.350 -0.000 0.000 0.312 224 T C -0.115 174.204 174.700 -0.635 0.000 1.071 224 T CA 0.068 61.558 62.100 -1.016 0.000 1.128 224 T CB 0.216 68.196 68.868 -1.479 0.000 0.984 224 T HN 1.179 nan 8.240 nan 0.000 0.549 225 N N -0.480 117.904 118.700 -0.527 0.000 3.185 225 N HA 0.096 4.836 4.740 -0.000 0.000 0.238 225 N C -1.390 174.080 175.510 -0.067 0.000 1.451 225 N CA -0.839 52.107 53.050 -0.172 0.000 0.888 225 N CB 1.155 39.693 38.487 0.086 0.000 1.413 225 N HN 0.706 nan 8.380 nan 0.000 0.511 226 H N 1.510 120.661 119.070 0.135 0.000 2.764 226 H HA 0.015 4.571 4.556 -0.000 0.000 0.341 226 H C 0.400 175.803 175.328 0.125 0.000 1.072 226 H CA 0.475 56.601 56.048 0.130 0.000 1.444 226 H CB 1.522 31.309 29.762 0.042 0.000 1.458 226 H HN 0.605 nan 8.280 nan 0.000 0.572 227 Q N 1.720 121.654 119.800 0.224 0.000 2.425 227 Q HA 0.241 4.581 4.340 -0.000 0.000 0.204 227 Q C 0.343 176.454 176.000 0.185 0.000 0.933 227 Q CA 0.622 56.547 55.803 0.202 0.000 0.939 227 Q CB 0.788 29.659 28.738 0.222 0.000 1.044 227 Q HN 0.504 nan 8.270 nan 0.000 0.513 228 A N 0.484 123.397 122.820 0.156 0.000 3.106 228 A HA 0.667 4.987 4.320 -0.000 0.000 0.227 228 A C -0.125 177.476 177.584 0.030 0.000 0.920 228 A CA -0.249 51.856 52.037 0.113 0.000 1.088 228 A CB 0.174 19.270 19.000 0.160 0.000 1.233 228 A HN 0.356 nan 8.150 nan 0.000 0.503 229 A N 0.081 122.911 122.820 0.017 0.000 2.520 229 A HA 0.436 4.756 4.320 -0.000 0.000 0.245 229 A C 1.177 178.662 177.584 -0.166 0.000 1.072 229 A CA 0.083 52.063 52.037 -0.094 0.000 0.761 229 A CB 0.091 19.058 19.000 -0.055 0.000 1.004 229 A HN 1.286 nan 8.150 nan 0.000 0.499 230 L N 2.945 123.994 121.223 -0.289 0.000 2.005 230 L HA 0.202 4.542 4.340 -0.000 0.000 0.207 230 L C 0.100 176.563 176.870 -0.678 0.000 1.072 230 L CA 1.855 56.362 54.840 -0.554 0.000 0.744 230 L CB -0.512 41.133 42.059 -0.688 0.000 0.895 230 L HN 0.612 nan 8.230 nan 0.000 0.433 231 F N -1.410 118.480 119.950 -0.100 0.000 2.618 231 F HA 0.651 5.178 4.527 -0.000 0.000 0.332 231 F C 0.897 176.666 175.800 -0.051 0.000 1.061 231 F CA -0.942 57.030 58.000 -0.046 0.000 0.974 231 F CB 0.446 39.428 39.000 -0.030 0.000 1.310 231 F HN -0.126 nan 8.300 nan 0.000 0.491 232 G N -0.278 108.651 108.800 0.215 0.000 2.476 232 G HA2 0.417 4.377 3.960 -0.000 0.000 0.286 232 G HA3 0.417 4.377 3.960 -0.000 0.000 0.286 232 G C -1.695 173.226 174.900 0.036 0.000 1.177 232 G CA -0.201 44.952 45.100 0.088 0.000 0.870 232 G HN 0.480 nan 8.290 nan 0.000 0.528 233 D N 0.547 120.940 120.400 -0.012 0.000 2.408 233 D HA 0.457 5.097 4.640 -0.000 0.000 0.243 233 D C 1.130 177.365 176.300 -0.109 0.000 1.075 233 D CA -0.195 53.782 54.000 -0.038 0.000 0.832 233 D CB 1.729 42.538 40.800 0.013 0.000 1.162 233 D HN 0.300 nan 8.370 nan 0.000 0.515 234 A N 3.458 126.229 122.820 -0.082 0.000 2.024 234 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 234 A C 1.861 179.346 177.584 -0.165 0.000 1.164 234 A CA 1.881 53.857 52.037 -0.101 0.000 0.643 234 A CB -0.323 18.639 19.000 -0.063 0.000 0.806 234 A HN 0.602 nan 8.150 nan 0.000 0.451 235 A N -0.661 122.045 122.820 -0.191 0.000 2.169 235 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 235 A C 1.407 178.571 177.584 -0.699 0.000 1.153 235 A CA 0.837 52.717 52.037 -0.263 0.000 0.756 235 A CB -0.699 18.260 19.000 -0.069 0.000 0.813 235 A HN 0.678 nan 8.150 nan 0.000 0.471 236 G N 0.109 108.360 108.800 -0.914 0.000 2.557 236 G HA2 0.495 4.455 3.960 -0.000 0.000 0.292 236 G HA3 0.495 4.455 3.960 -0.000 0.000 0.292 236 G C -2.443 172.084 174.900 -0.621 0.000 1.237 236 G CA -1.334 42.945 45.100 -1.368 0.000 0.978 236 G HN 0.180 nan 8.290 nan 0.000 0.498 237 P HA 0.256 nan 4.420 nan 0.000 0.274 237 P C -0.236 176.870 177.300 -0.323 0.000 1.237 237 P CA 0.011 62.895 63.100 -0.358 0.000 0.793 237 P CB 1.154 32.658 31.700 -0.326 0.000 0.977 238 T N -1.645 112.647 114.554 -0.437 0.000 2.916 238 T HA 0.749 5.099 4.350 -0.000 0.000 0.292 238 T C -0.727 173.680 174.700 -0.489 0.000 1.055 238 T CA -0.540 61.389 62.100 -0.283 0.000 1.009 238 T CB 0.952 69.736 68.868 -0.139 0.000 1.118 238 T HN 0.174 nan 8.240 nan 0.000 0.497 239 F N -0.317 119.582 119.950 -0.084 0.000 2.620 239 F HA 0.531 5.057 4.527 -0.000 0.000 0.320 239 F C -0.368 175.621 175.800 0.316 0.000 1.069 239 F CA -1.581 56.499 58.000 0.132 0.000 0.953 239 F CB 1.270 40.378 39.000 0.179 0.000 1.322 239 F HN 0.729 nan 8.300 nan 0.000 0.479 240 Y N 2.114 122.721 120.300 0.511 0.000 2.526 240 Y HA 0.097 4.647 4.550 -0.000 0.000 0.330 240 Y C 0.510 176.582 175.900 0.286 0.000 1.156 240 Y CA -0.149 58.167 58.100 0.360 0.000 1.419 240 Y CB 0.273 38.931 38.460 0.330 0.000 1.250 240 Y HN 0.450 nan 8.280 nan 0.000 0.540 241 N N 5.303 123.936 118.700 -0.111 0.000 2.663 241 N HA 0.110 4.850 4.740 -0.000 0.000 0.250 241 N C 0.553 175.883 175.510 -0.300 0.000 1.129 241 N CA 0.593 53.459 53.050 -0.307 0.000 0.995 241 N CB 0.682 38.893 38.487 -0.459 0.000 1.324 241 N HN 0.902 nan 8.380 nan 0.000 0.512 242 A N 4.086 126.779 122.820 -0.213 0.000 2.024 242 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 242 A C 2.088 179.426 177.584 -0.409 0.000 1.164 242 A CA 0.948 52.893 52.037 -0.152 0.000 0.643 242 A CB -0.295 18.524 19.000 -0.302 0.000 0.806 242 A HN 0.722 nan 8.150 nan 0.000 0.451 243 L N -0.355 120.428 121.223 -0.733 0.000 2.265 243 L HA -0.191 4.149 4.340 -0.000 0.000 0.215 243 L C 2.662 178.791 176.870 -1.234 0.000 1.117 243 L CA 1.458 55.608 54.840 -1.151 0.000 0.782 243 L CB -0.571 40.454 42.059 -1.725 0.000 0.914 243 L HN 0.618 nan 8.230 nan 0.000 0.441 244 R N -0.007 119.995 120.500 -0.830 0.000 2.293 244 R HA -0.118 4.222 4.340 -0.000 0.000 0.219 244 R C 1.078 177.224 176.300 -0.257 0.000 1.091 244 R CA 0.987 56.830 56.100 -0.429 0.000 1.004 244 R CB -0.183 30.010 30.300 -0.178 0.000 0.865 244 R HN 0.322 nan 8.270 nan 0.000 0.469 245 E N 0.758 120.809 120.200 -0.249 0.000 2.481 245 E HA 0.210 4.560 4.350 -0.000 0.000 0.198 245 E C 0.224 176.711 176.600 -0.189 0.000 1.027 245 E CA 0.279 56.597 56.400 -0.137 0.000 0.900 245 E CB 0.944 30.618 29.700 -0.044 0.000 0.993 245 E HN 0.426 nan 8.360 nan 0.000 0.482 246 A N 1.900 124.536 122.820 -0.308 0.000 2.466 246 A HA 0.038 4.358 4.320 -0.000 0.000 0.238 246 A C 0.564 178.016 177.584 -0.219 0.000 1.074 246 A CA -0.225 51.650 52.037 -0.269 0.000 0.774 246 A CB 0.000 18.810 19.000 -0.317 0.000 1.015 246 A HN 0.004 nan 8.150 nan 0.000 0.498 247 N N 1.459 120.061 118.700 -0.163 0.000 3.050 247 N HA 0.222 4.962 4.740 -0.000 0.000 0.289 247 N C 0.358 175.766 175.510 -0.170 0.000 1.209 247 N CA 0.163 53.138 53.050 -0.126 0.000 1.154 247 N CB -0.546 37.897 38.487 -0.072 0.000 1.444 247 N HN 0.596 nan 8.380 nan 0.000 0.529 248 L N 0.323 121.376 121.223 -0.283 0.000 2.354 248 L HA 0.289 4.629 4.340 -0.000 0.000 0.212 248 L C 1.571 178.309 176.870 -0.220 0.000 1.091 248 L CA 0.470 55.016 54.840 -0.489 0.000 0.828 248 L CB -0.068 41.267 42.059 -1.207 0.000 0.973 248 L HN 0.566 nan 8.230 nan 0.000 0.461 249 G N -1.275 107.493 108.800 -0.054 0.000 2.136 249 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.242 249 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.242 249 G C -0.262 174.839 174.900 0.334 0.000 0.989 249 G CA -0.376 44.803 45.100 0.132 0.000 0.682 249 G HN 0.089 nan 8.290 nan 0.000 0.522 250 W N 1.536 122.884 121.300 0.079 0.000 2.283 250 W HA 0.690 5.349 4.660 -0.000 0.000 0.341 250 W C 1.162 177.740 176.519 0.097 0.000 1.206 250 W CA -0.888 56.505 57.345 0.081 0.000 1.294 250 W CB 0.613 30.124 29.460 0.086 0.000 1.154 250 W HN 0.546 nan 8.180 nan 0.000 0.613 251 S N 0.621 116.518 115.700 0.328 0.000 2.614 251 S HA 0.018 4.488 4.470 -0.000 0.000 0.265 251 S C 0.710 175.492 174.600 0.303 0.000 1.303 251 S CA -0.460 57.907 58.200 0.279 0.000 1.000 251 S CB 0.782 64.121 63.200 0.232 0.000 0.935 251 S HN 0.595 nan 8.310 nan 0.000 0.551 252 W N 1.534 122.921 121.300 0.145 0.000 2.304 252 W HA -0.157 4.503 4.660 -0.000 0.000 0.315 252 W C 2.185 178.768 176.519 0.107 0.000 1.233 252 W CA 2.057 59.476 57.345 0.124 0.000 1.261 252 W CB -0.184 29.335 29.460 0.099 0.000 1.150 252 W HN 0.811 nan 8.180 nan 0.000 0.494 253 E N 0.277 120.733 120.200 0.426 0.000 2.085 253 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 253 E C 1.891 178.488 176.600 -0.004 0.000 0.994 253 E CA 2.022 58.562 56.400 0.234 0.000 0.801 253 E CB -0.610 29.230 29.700 0.232 0.000 0.743 253 E HN 0.577 nan 8.360 nan 0.000 0.453 254 E N 0.523 120.737 120.200 0.022 0.000 2.051 254 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 254 E C 2.422 179.034 176.600 0.019 0.000 0.991 254 E CA 0.684 57.045 56.400 -0.064 0.000 0.799 254 E CB -0.166 29.468 29.700 -0.109 0.000 0.748 254 E HN 0.188 nan 8.360 nan 0.000 0.449 255 L N 0.812 122.120 121.223 0.141 0.000 2.017 255 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 255 L C 2.617 179.423 176.870 -0.106 0.000 1.073 255 L CA 1.337 56.291 54.840 0.190 0.000 0.745 255 L CB -0.678 41.459 42.059 0.130 0.000 0.894 255 L HN 0.170 nan 8.230 nan 0.000 0.432 256 T N -0.657 113.658 114.554 -0.399 0.000 2.746 256 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 256 T C 2.001 176.504 174.700 -0.328 0.000 1.039 256 T CA 1.228 63.021 62.100 -0.511 0.000 1.142 256 T CB -0.178 68.115 68.868 -0.958 0.000 0.866 256 T HN 0.300 nan 8.240 nan 0.000 0.444 257 R N 0.883 121.217 120.500 -0.277 0.000 2.115 257 R HA 0.153 4.493 4.340 -0.000 0.000 0.230 257 R C 2.638 178.751 176.300 -0.312 0.000 1.111 257 R CA 1.110 57.065 56.100 -0.241 0.000 0.976 257 R CB -0.241 29.945 30.300 -0.191 0.000 0.870 257 R HN 0.347 nan 8.270 nan 0.000 0.445 258 A N 0.378 122.932 122.820 -0.443 0.000 1.984 258 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 258 A C 0.370 177.451 177.584 -0.837 0.000 1.173 258 A CA 0.511 52.122 52.037 -0.710 0.000 0.673 258 A CB 0.296 18.681 19.000 -1.024 0.000 0.830 258 A HN 0.162 nan 8.150 nan 0.000 0.453 259 F N 1.268 121.159 119.950 -0.097 0.000 2.471 259 F HA 0.323 4.850 4.527 -0.000 0.000 0.318 259 F C -2.498 173.138 175.800 -0.274 0.000 1.308 259 F CA -3.650 54.238 58.000 -0.187 0.000 1.162 259 F CB 0.341 39.203 39.000 -0.230 0.000 1.383 259 F HN 0.001 nan 8.300 nan 0.000 0.552 260 P HA 0.069 nan 4.420 nan 0.000 0.267 260 P C -0.124 177.110 177.300 -0.110 0.000 1.200 260 P CA 0.305 63.296 63.100 -0.182 0.000 0.772 260 P CB 1.778 33.337 31.700 -0.236 0.000 0.855 261 S N 1.801 117.449 115.700 -0.086 0.000 2.543 261 S HA 0.532 5.001 4.470 -0.000 0.000 0.271 261 S C -2.622 171.962 174.600 -0.026 0.000 1.148 261 S CA -1.089 57.079 58.200 -0.054 0.000 0.914 261 S CB 0.708 63.746 63.200 -0.271 0.000 1.096 261 S HN 0.333 nan 8.310 nan 0.000 0.471 262 P HA 0.543 nan 4.420 nan 0.000 0.275 262 P C -0.914 176.539 177.300 0.255 0.000 1.266 262 P CA -0.266 62.925 63.100 0.151 0.000 0.793 262 P CB 0.189 31.939 31.700 0.083 0.000 1.074 263 F N -2.933 117.058 119.950 0.067 0.000 2.685 263 F HA 0.588 5.115 4.527 -0.000 0.000 0.315 263 F C -0.981 174.923 175.800 0.174 0.000 1.126 263 F CA -1.411 56.648 58.000 0.098 0.000 0.950 263 F CB 0.536 39.625 39.000 0.148 0.000 1.360 263 F HN 0.099 nan 8.300 nan 0.000 0.469 264 S N 2.014 117.660 115.700 -0.090 0.000 2.465 264 S HA 0.427 4.897 4.470 -0.000 0.000 0.279 264 S C -0.584 173.814 174.600 -0.336 0.000 1.201 264 S CA -0.412 57.689 58.200 -0.165 0.000 1.053 264 S CB 0.827 64.035 63.200 0.014 0.000 0.953 264 S HN 0.628 nan 8.310 nan 0.000 0.488 265 L N 5.836 126.815 121.223 -0.408 0.000 2.454 265 L HA 0.283 4.623 4.340 -0.000 0.000 0.284 265 L C 0.623 177.442 176.870 -0.086 0.000 1.139 265 L CA 0.601 55.232 54.840 -0.349 0.000 0.911 265 L CB -0.938 40.842 42.059 -0.465 0.000 1.262 265 L HN 0.833 nan 8.230 nan 0.000 0.453 266 T N -0.172 114.385 114.554 0.004 0.000 2.864 266 T HA 0.446 4.796 4.350 -0.000 0.000 0.289 266 T C 1.098 175.784 174.700 -0.024 0.000 1.082 266 T CA -0.516 61.583 62.100 -0.002 0.000 1.009 266 T CB 1.018 69.897 68.868 0.018 0.000 1.234 266 T HN -0.038 nan 8.240 nan 0.000 0.526 267 V N 0.810 120.663 119.914 -0.102 0.000 2.358 267 V HA -0.088 4.031 4.120 -0.000 0.000 0.246 267 V C 2.554 178.551 176.094 -0.162 0.000 1.047 267 V CA 2.455 64.673 62.300 -0.136 0.000 1.035 267 V CB -1.060 30.638 31.823 -0.208 0.000 0.658 267 V HN 1.099 nan 8.190 nan 0.000 0.452 268 D N 0.678 120.926 120.400 -0.254 0.000 2.123 268 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 268 D C 2.079 178.444 176.300 0.109 0.000 0.992 268 D CA 1.719 55.663 54.000 -0.093 0.000 0.833 268 D CB -0.167 40.660 40.800 0.045 0.000 0.954 268 D HN 0.364 nan 8.370 nan 0.000 0.455 269 A N 0.491 123.368 122.820 0.094 0.000 1.883 269 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 269 A C 2.443 179.925 177.584 -0.171 0.000 1.186 269 A CA 2.431 54.437 52.037 -0.051 0.000 0.624 269 A CB -1.236 17.898 19.000 0.223 0.000 0.822 269 A HN 0.375 nan 8.150 nan 0.000 0.444 270 A N -0.666 122.145 122.820 -0.016 0.000 1.902 270 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 270 A C 2.247 179.930 177.584 0.165 0.000 1.181 270 A CA 1.755 53.826 52.037 0.056 0.000 0.623 270 A CB -0.942 18.096 19.000 0.063 0.000 0.818 270 A HN 0.382 nan 8.150 nan 0.000 0.443 271 V N 0.130 120.118 119.914 0.124 0.000 2.261 271 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 271 V C 2.778 179.000 176.094 0.212 0.000 1.047 271 V CA 2.117 64.531 62.300 0.191 0.000 1.015 271 V CB -0.810 31.199 31.823 0.309 0.000 0.642 271 V HN 0.546 nan 8.190 nan 0.000 0.446 272 Q N -0.143 119.757 119.800 0.168 0.000 2.096 272 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 272 Q C 2.255 178.304 176.000 0.081 0.000 0.982 272 Q CA 1.774 57.662 55.803 0.142 0.000 0.850 272 Q CB -0.542 28.308 28.738 0.188 0.000 0.901 272 Q HN 0.716 nan 8.270 nan 0.000 0.422 273 Q N -0.583 119.168 119.800 -0.081 0.000 2.181 273 Q HA -0.198 4.142 4.340 -0.000 0.000 0.205 273 Q C 1.810 177.928 176.000 0.197 0.000 0.980 273 Q CA 1.441 57.231 55.803 -0.021 0.000 0.862 273 Q CB -0.175 28.415 28.738 -0.247 0.000 0.905 273 Q HN 0.561 nan 8.270 nan 0.000 0.429 274 H N -0.339 118.830 119.070 0.164 0.000 2.372 274 H HA 0.015 4.571 4.556 -0.000 0.000 0.301 274 H C 1.800 177.217 175.328 0.149 0.000 1.065 274 H CA 0.965 57.127 56.048 0.191 0.000 1.364 274 H CB 0.088 29.941 29.762 0.151 0.000 1.406 274 H HN 0.101 nan 8.280 nan 0.000 0.521 275 L N -0.215 121.157 121.223 0.249 0.000 2.191 275 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 275 L C 1.981 178.936 176.870 0.141 0.000 1.103 275 L CA 0.863 55.805 54.840 0.169 0.000 0.769 275 L CB -0.301 41.844 42.059 0.142 0.000 0.908 275 L HN 0.372 nan 8.230 nan 0.000 0.438 276 M N -1.282 118.419 119.600 0.169 0.000 2.358 276 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 276 M C 0.485 176.886 176.300 0.169 0.000 1.064 276 M CA 0.939 56.336 55.300 0.161 0.000 1.093 276 M CB -0.086 32.645 32.600 0.219 0.000 1.401 276 M HN 0.155 nan 8.290 nan 0.000 0.440 277 M N 0.940 120.629 119.600 0.149 0.000 2.216 277 M HA 0.183 4.663 4.480 -0.000 0.000 0.356 277 M C 0.029 176.373 176.300 0.073 0.000 1.205 277 M CA 0.097 55.454 55.300 0.096 0.000 1.122 277 M CB 0.571 33.131 32.600 -0.066 0.000 1.571 277 M HN 0.062 nan 8.290 nan 0.000 0.464 278 E N 0.712 120.955 120.200 0.072 0.000 2.392 278 E HA 0.315 4.665 4.350 -0.000 0.000 0.264 278 E C 0.937 177.566 176.600 0.048 0.000 1.024 278 E CA 0.672 57.104 56.400 0.053 0.000 0.903 278 E CB 0.424 30.154 29.700 0.050 0.000 0.963 278 E HN 0.952 nan 8.360 nan 0.000 0.432 279 G N 1.592 110.419 108.800 0.046 0.000 2.159 279 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.256 279 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.256 279 G C 0.046 174.974 174.900 0.047 0.000 0.977 279 G CA 0.064 45.189 45.100 0.041 0.000 0.652 279 G HN 0.387 nan 8.290 nan 0.000 0.531 280 V N 3.114 123.065 119.914 0.060 0.000 2.266 280 V HA 0.411 4.531 4.120 -0.000 0.000 0.271 280 V C -1.500 174.643 176.094 0.083 0.000 1.032 280 V CA -1.373 60.977 62.300 0.083 0.000 0.806 280 V CB 1.446 33.338 31.823 0.115 0.000 1.052 280 V HN 0.284 nan 8.190 nan 0.000 0.449 281 P HA 0.137 nan 4.420 nan 0.000 0.276 281 P C 1.106 178.448 177.300 0.070 0.000 1.235 281 P CA 0.036 63.169 63.100 0.055 0.000 0.772 281 P CB 1.543 33.264 31.700 0.034 0.000 0.871 282 S N 3.085 118.825 115.700 0.066 0.000 2.387 282 S HA -0.224 4.246 4.470 -0.000 0.000 0.230 282 S C 1.886 176.532 174.600 0.076 0.000 1.035 282 S CA 1.161 59.404 58.200 0.072 0.000 1.014 282 S CB -1.256 61.977 63.200 0.055 0.000 0.836 282 S HN 0.521 nan 8.310 nan 0.000 0.466 283 A N 1.465 124.323 122.820 0.064 0.000 2.121 283 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 283 A C 2.151 179.807 177.584 0.119 0.000 1.154 283 A CA 1.177 53.260 52.037 0.077 0.000 0.679 283 A CB -0.403 18.625 19.000 0.047 0.000 0.795 283 A HN 0.629 nan 8.150 nan 0.000 0.458 284 K N -0.748 119.710 120.400 0.097 0.000 2.379 284 K HA 0.265 4.585 4.320 -0.000 0.000 0.194 284 K C -0.299 176.424 176.600 0.205 0.000 1.031 284 K CA -0.023 56.338 56.287 0.122 0.000 1.037 284 K CB 0.208 32.730 32.500 0.037 0.000 0.824 284 K HN 0.456 nan 8.250 nan 0.000 0.516 285 I N 2.055 122.713 120.570 0.146 0.000 2.416 285 I HA 0.046 4.216 4.170 -0.000 0.000 0.288 285 I C -0.330 175.841 176.117 0.090 0.000 1.051 285 I CA -0.455 60.903 61.300 0.098 0.000 1.375 285 I CB 1.174 39.216 38.000 0.071 0.000 1.407 285 I HN -0.279 nan 8.210 nan 0.000 0.516 286 V N 7.550 127.495 119.914 0.051 0.000 2.448 286 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 286 V C 0.074 176.188 176.094 0.032 0.000 1.025 286 V CA -0.678 61.623 62.300 0.003 0.000 0.859 286 V CB 1.806 33.566 31.823 -0.106 0.000 0.988 286 V HN 0.697 nan 8.190 nan 0.000 0.431 287 M N 4.326 123.969 119.600 0.071 0.000 2.146 287 M HA 0.561 5.041 4.480 -0.000 0.000 0.357 287 M C 0.457 176.832 176.300 0.125 0.000 1.261 287 M CA -0.120 55.234 55.300 0.089 0.000 1.106 287 M CB 0.727 33.402 32.600 0.126 0.000 1.612 287 M HN 0.788 nan 8.290 nan 0.000 0.470 288 G N 3.891 112.775 108.800 0.140 0.000 2.448 288 G HA2 0.570 4.530 3.960 -0.000 0.000 0.285 288 G HA3 0.570 4.530 3.960 -0.000 0.000 0.285 288 G C -0.897 174.239 174.900 0.394 0.000 1.176 288 G CA -0.545 44.738 45.100 0.305 0.000 0.852 288 G HN 0.844 nan 8.290 nan 0.000 0.530 289 V N -1.113 119.096 119.914 0.492 0.000 3.007 289 V HA 0.880 5.000 4.120 -0.000 0.000 0.311 289 V C -2.775 173.582 176.094 0.438 0.000 1.120 289 V CA -2.638 59.930 62.300 0.445 0.000 0.980 289 V CB 2.608 34.545 31.823 0.189 0.000 1.033 289 V HN 0.665 nan 8.190 nan 0.000 0.429 290 P HA 0.471 nan 4.420 nan 0.000 0.296 290 P C -0.828 176.670 177.300 0.330 0.000 1.301 290 P CA -0.307 62.788 63.100 -0.009 0.000 0.862 290 P CB 1.577 32.954 31.700 -0.539 0.000 1.046 291 F N 2.112 122.100 119.950 0.064 0.000 2.639 291 F HA 0.229 4.756 4.527 -0.000 0.000 0.300 291 F C 0.422 176.305 175.800 0.139 0.000 1.109 291 F CA -0.468 57.579 58.000 0.078 0.000 1.335 291 F CB -0.594 38.417 39.000 0.019 0.000 1.014 291 F HN 0.249 nan 8.300 nan 0.000 0.537 292 Y N -2.536 117.920 120.300 0.261 0.000 2.609 292 Y HA 0.868 5.418 4.550 -0.000 0.000 0.342 292 Y C -0.117 175.896 175.900 0.188 0.000 1.058 292 Y CA -2.405 55.800 58.100 0.175 0.000 1.055 292 Y CB 0.828 39.372 38.460 0.141 0.000 1.292 292 Y HN -0.128 nan 8.280 nan 0.000 0.476 293 G N 0.888 109.801 108.800 0.189 0.000 2.473 293 G HA2 0.701 4.661 3.960 -0.000 0.000 0.321 293 G HA3 0.701 4.661 3.960 -0.000 0.000 0.321 293 G C -1.528 173.493 174.900 0.201 0.000 1.200 293 G CA -1.541 43.642 45.100 0.138 0.000 0.963 293 G HN 0.651 nan 8.290 nan 0.000 0.483 294 R N -0.164 120.437 120.500 0.168 0.000 2.445 294 R HA 0.633 4.973 4.340 -0.000 0.000 0.308 294 R C -0.403 175.956 176.300 0.098 0.000 0.961 294 R CA -0.502 55.667 56.100 0.115 0.000 0.862 294 R CB 2.118 32.479 30.300 0.101 0.000 1.144 294 R HN 0.618 nan 8.270 nan 0.000 0.447 295 A N 3.342 126.181 122.820 0.032 0.000 2.324 295 A HA 0.773 5.093 4.320 -0.000 0.000 0.330 295 A C -1.130 176.590 177.584 0.227 0.000 1.165 295 A CA -0.449 51.716 52.037 0.213 0.000 0.813 295 A CB 0.616 19.738 19.000 0.203 0.000 1.197 295 A HN 0.543 nan 8.150 nan 0.000 0.484 296 F N 0.528 120.640 119.950 0.269 0.000 2.577 296 F HA 0.629 5.156 4.527 -0.000 0.000 0.318 296 F C 0.425 176.207 175.800 -0.030 0.000 1.065 296 F CA -0.609 57.458 58.000 0.112 0.000 0.929 296 F CB 2.401 41.386 39.000 -0.025 0.000 1.237 296 F HN 0.704 nan 8.300 nan 0.000 0.468 297 K N -0.627 119.679 120.400 -0.157 0.000 2.400 297 K HA 0.805 5.125 4.320 -0.000 0.000 0.246 297 K C 0.297 176.823 176.600 -0.123 0.000 0.995 297 K CA -0.714 55.338 56.287 -0.391 0.000 0.840 297 K CB 2.017 33.769 32.500 -1.246 0.000 1.293 297 K HN 0.943 nan 8.250 nan 0.000 0.445 298 G N 0.037 108.778 108.800 -0.099 0.000 2.176 298 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 298 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 298 G C -0.019 174.908 174.900 0.046 0.000 1.024 298 G CA 0.136 45.219 45.100 -0.027 0.000 0.755 298 G HN 1.024 nan 8.290 nan 0.000 0.507 299 V N -1.950 118.015 119.914 0.086 0.000 2.686 299 V HA 0.840 4.960 4.120 -0.000 0.000 0.295 299 V C 0.622 176.771 176.094 0.092 0.000 1.057 299 V CA -0.169 62.185 62.300 0.090 0.000 1.012 299 V CB 1.710 33.605 31.823 0.120 0.000 1.006 299 V HN 0.543 nan 8.190 nan 0.000 0.477 300 S N 2.869 118.588 115.700 0.033 0.000 2.537 300 S HA 0.640 5.110 4.470 -0.000 0.000 0.275 300 S C 0.609 175.221 174.600 0.019 0.000 1.272 300 S CA 0.088 58.304 58.200 0.026 0.000 1.050 300 S CB 1.210 64.401 63.200 -0.015 0.000 0.961 300 S HN 1.383 nan 8.310 nan 0.000 0.496 301 G N 0.395 109.233 108.800 0.063 0.000 2.616 301 G HA2 0.505 4.465 3.960 -0.000 0.000 0.268 301 G HA3 0.505 4.465 3.960 -0.000 0.000 0.268 301 G C 0.919 175.776 174.900 -0.073 0.000 1.213 301 G CA -0.035 45.075 45.100 0.016 0.000 0.926 301 G HN 1.255 nan 8.290 nan 0.000 0.523 302 G N -0.505 108.223 108.800 -0.121 0.000 2.699 302 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.198 302 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.198 302 G C 0.507 175.336 174.900 -0.119 0.000 1.033 302 G CA 0.581 45.627 45.100 -0.090 0.000 0.728 302 G HN 1.096 nan 8.290 nan 0.000 0.484 303 N N 0.414 118.995 118.700 -0.199 0.000 2.598 303 N HA 0.468 5.208 4.740 -0.000 0.000 0.295 303 N C 1.105 176.457 175.510 -0.263 0.000 1.729 303 N CA 1.102 54.039 53.050 -0.188 0.000 0.877 303 N CB 0.159 38.544 38.487 -0.171 0.000 1.405 303 N HN 1.539 nan 8.380 nan 0.000 0.491 304 G N -0.240 108.336 108.800 -0.373 0.000 2.155 304 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.257 304 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.257 304 G C 0.966 175.614 174.900 -0.421 0.000 0.983 304 G CA 0.602 45.459 45.100 -0.404 0.000 0.676 304 G HN 1.374 nan 8.290 nan 0.000 0.528 305 G N -1.774 106.713 108.800 -0.522 0.000 2.194 305 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 305 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 305 G C 0.279 174.664 174.900 -0.859 0.000 0.987 305 G CA 0.805 45.734 45.100 -0.285 0.000 0.635 305 G HN 1.208 nan 8.290 nan 0.000 0.520 306 Q N -0.528 118.681 119.800 -0.985 0.000 2.332 306 Q HA 0.468 4.808 4.340 -0.000 0.000 0.263 306 Q C 0.392 175.764 176.000 -1.046 0.000 0.979 306 Q CA -0.382 54.520 55.803 -1.502 0.000 0.885 306 Q CB 0.299 28.022 28.738 -1.691 0.000 1.218 306 Q HN 0.655 nan 8.270 nan 0.000 0.405 307 Y N -1.247 118.663 120.300 -0.649 0.000 3.589 307 Y HA -0.263 4.287 4.550 -0.000 0.000 0.218 307 Y C 0.001 175.710 175.900 -0.318 0.000 1.234 307 Y CA 0.709 58.566 58.100 -0.406 0.000 1.576 307 Y CB -2.322 35.966 38.460 -0.286 0.000 1.487 307 Y HN 0.501 nan 8.280 nan 0.000 0.616 308 S N -0.096 115.441 115.700 -0.272 0.000 2.578 308 S HA 0.804 5.274 4.470 -0.000 0.000 0.301 308 S C 0.421 174.976 174.600 -0.076 0.000 1.091 308 S CA -0.104 57.996 58.200 -0.166 0.000 1.032 308 S CB 1.298 64.384 63.200 -0.190 0.000 1.064 308 S HN 0.564 nan 8.310 nan 0.000 0.508 309 S N 1.849 117.532 115.700 -0.027 0.000 2.589 309 S HA 0.513 4.983 4.470 -0.000 0.000 0.265 309 S C -0.210 174.436 174.600 0.077 0.000 1.342 309 S CA -0.080 58.123 58.200 0.005 0.000 1.005 309 S CB -0.070 63.105 63.200 -0.042 0.000 0.909 309 S HN 1.109 nan 8.310 nan 0.000 0.555 310 H N -2.627 116.440 119.070 -0.005 0.000 2.960 310 H HA 0.675 5.231 4.556 -0.000 0.000 0.323 310 H C -0.772 174.568 175.328 0.019 0.000 1.326 310 H CA -0.527 55.534 56.048 0.022 0.000 1.124 310 H CB 0.930 30.764 29.762 0.119 0.000 1.853 310 H HN 0.584 nan 8.280 nan 0.000 0.536 311 S N -0.166 115.551 115.700 0.028 0.000 2.668 311 S HA 0.285 4.755 4.470 -0.000 0.000 0.244 311 S C -0.763 173.866 174.600 0.048 0.000 1.140 311 S CA -0.490 57.684 58.200 -0.043 0.000 1.134 311 S CB -0.578 62.583 63.200 -0.065 0.000 0.954 311 S HN 0.644 nan 8.310 nan 0.000 0.490 312 T N 5.306 120.035 114.554 0.292 0.000 2.744 312 T HA 0.480 4.830 4.350 -0.000 0.000 0.291 312 T C -2.577 172.307 174.700 0.306 0.000 0.957 312 T CA -1.310 60.982 62.100 0.320 0.000 1.002 312 T CB 1.232 70.312 68.868 0.352 0.000 0.919 312 T HN 0.325 nan 8.240 nan 0.000 0.468 313 P HA 0.207 nan 4.420 nan 0.000 0.271 313 P C 0.646 178.111 177.300 0.275 0.000 1.216 313 P CA -0.205 63.036 63.100 0.236 0.000 0.776 313 P CB 0.954 32.768 31.700 0.190 0.000 0.881 314 G N 1.726 110.669 108.800 0.239 0.000 3.020 314 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 314 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 314 G C 0.305 175.339 174.900 0.223 0.000 1.144 314 G CA -0.026 45.245 45.100 0.285 0.000 0.760 314 G HN 0.420 nan 8.290 nan 0.000 0.548 315 E N 1.294 121.594 120.200 0.167 0.000 2.481 315 E HA 0.105 4.455 4.350 -0.000 0.000 0.263 315 E C -0.394 176.281 176.600 0.125 0.000 0.992 315 E CA 0.272 56.745 56.400 0.121 0.000 0.938 315 E CB 0.728 30.479 29.700 0.084 0.000 0.933 315 E HN 0.057 nan 8.360 nan 0.000 0.453 316 D N 4.109 124.569 120.400 0.100 0.000 2.396 316 D HA 0.329 4.969 4.640 -0.000 0.000 0.225 316 D C -2.340 174.021 176.300 0.102 0.000 1.121 316 D CA -1.222 52.838 54.000 0.100 0.000 0.853 316 D CB 0.192 41.061 40.800 0.116 0.000 1.043 316 D HN 0.230 nan 8.370 nan 0.000 0.500 317 P HA -0.120 nan 4.420 nan 0.000 0.292 317 P C -1.545 175.839 177.300 0.141 0.000 1.935 317 P CA -0.488 62.678 63.100 0.110 0.000 1.714 317 P CB -0.809 30.942 31.700 0.085 0.000 0.275 318 Y N 5.697 126.033 120.300 0.060 0.000 2.852 318 Y HA 0.164 4.714 4.550 -0.000 0.000 0.343 318 Y C -1.175 174.784 175.900 0.098 0.000 1.280 318 Y CA -0.394 57.758 58.100 0.088 0.000 1.604 318 Y CB 0.478 38.985 38.460 0.078 0.000 1.216 318 Y HN 0.068 nan 8.280 nan 0.000 0.541 319 P HA 0.129 nan 4.420 nan 0.000 0.238 319 P C -0.854 176.164 177.300 -0.469 0.000 1.794 319 P CA 0.308 63.225 63.100 -0.304 0.000 1.088 319 P CB 0.495 32.095 31.700 -0.168 0.000 1.923 320 S N 1.382 116.850 115.700 -0.386 0.000 2.703 320 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 320 S C 0.088 174.692 174.600 0.006 0.000 0.972 320 S CA -0.103 57.957 58.200 -0.233 0.000 0.949 320 S CB -0.187 62.817 63.200 -0.327 0.000 1.209 320 S HN 0.277 nan 8.310 nan 0.000 0.464 321 T N -0.551 113.943 114.554 -0.099 0.000 3.132 321 T HA 0.312 4.662 4.350 -0.000 0.000 0.274 321 T C -0.220 173.985 174.700 -0.825 0.000 1.011 321 T CA 0.164 62.016 62.100 -0.413 0.000 0.899 321 T CB -0.086 68.649 68.868 -0.222 0.000 1.089 321 T HN 0.497 nan 8.240 nan 0.000 0.543 322 D N 1.993 122.223 120.400 -0.283 0.000 2.435 322 D HA 0.096 4.736 4.640 -0.000 0.000 0.230 322 D C -1.036 175.230 176.300 -0.056 0.000 1.215 322 D CA -0.671 53.272 54.000 -0.095 0.000 0.947 322 D CB -0.209 40.717 40.800 0.210 0.000 1.048 322 D HN 0.281 nan 8.370 nan 0.000 0.512 323 Y N 4.470 124.770 120.300 -0.001 0.000 2.691 323 Y HA 0.146 4.696 4.550 -0.000 0.000 0.338 323 Y C 0.963 176.752 175.900 -0.184 0.000 1.148 323 Y CA -1.350 56.594 58.100 -0.261 0.000 1.430 323 Y CB -0.312 38.022 38.460 -0.211 0.000 1.303 323 Y HN 0.501 nan 8.280 nan 0.000 0.499 324 W N 1.107 122.455 121.300 0.080 0.000 3.180 324 W HA 0.169 4.829 4.660 -0.000 0.000 0.254 324 W C -0.462 176.041 176.519 -0.027 0.000 1.318 324 W CA -0.414 56.942 57.345 0.018 0.000 1.608 324 W CB 0.008 29.488 29.460 0.035 0.000 1.124 324 W HN 0.318 nan 8.180 nan 0.000 0.694 325 L N 3.275 124.431 121.223 -0.112 0.000 2.401 325 L HA 0.228 4.568 4.340 -0.000 0.000 0.283 325 L C 0.385 177.234 176.870 -0.035 0.000 1.151 325 L CA -0.770 54.058 54.840 -0.020 0.000 0.942 325 L CB 0.082 41.981 42.059 -0.267 0.000 1.283 325 L HN -0.219 nan 8.230 nan 0.000 0.442 326 V N 5.852 125.768 119.914 0.003 0.000 2.726 326 V HA 0.114 4.234 4.120 -0.000 0.000 0.304 326 V C 1.681 177.646 176.094 -0.214 0.000 1.115 326 V CA 1.239 63.484 62.300 -0.092 0.000 1.264 326 V CB -0.211 31.510 31.823 -0.170 0.000 0.867 326 V HN 1.083 nan 8.190 nan 0.000 0.498 327 G N 2.815 111.299 108.800 -0.526 0.000 2.189 327 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.267 327 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.267 327 G C 0.541 175.139 174.900 -0.503 0.000 0.975 327 G CA 0.168 44.642 45.100 -1.042 0.000 0.644 327 G HN 1.140 nan 8.290 nan 0.000 0.537 328 C N 1.723 120.836 119.300 -0.311 0.000 2.252 328 C HA 0.615 5.075 4.460 -0.000 0.000 0.342 328 C C 1.774 176.633 174.990 -0.218 0.000 1.110 328 C CA 0.115 58.981 59.018 -0.252 0.000 1.581 328 C CB -0.848 26.740 27.740 -0.254 0.000 2.087 328 C HN 0.551 nan 8.230 nan 0.000 0.500 329 E N 1.726 121.820 120.200 -0.177 0.000 2.152 329 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 329 E C 1.741 178.248 176.600 -0.156 0.000 0.983 329 E CA 1.146 57.462 56.400 -0.139 0.000 0.818 329 E CB 0.215 29.861 29.700 -0.089 0.000 0.758 329 E HN 0.796 nan 8.360 nan 0.000 0.467 330 E N 0.443 120.550 120.200 -0.156 0.000 2.077 330 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 330 E C 2.238 178.703 176.600 -0.225 0.000 0.989 330 E CA 1.175 57.486 56.400 -0.150 0.000 0.800 330 E CB -0.206 29.421 29.700 -0.122 0.000 0.746 330 E HN 0.292 nan 8.360 nan 0.000 0.452 331 C N 0.570 119.697 119.300 -0.289 0.000 2.403 331 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 331 C C 2.761 177.365 174.990 -0.643 0.000 1.248 331 C CA 0.340 59.100 59.018 -0.430 0.000 1.762 331 C CB -0.833 26.637 27.740 -0.449 0.000 2.014 331 C HN 0.250 nan 8.230 nan 0.000 0.486 332 V N 0.761 120.352 119.914 -0.539 0.000 2.283 332 V HA -0.166 3.953 4.120 -0.000 0.000 0.243 332 V C 2.831 178.678 176.094 -0.411 0.000 1.039 332 V CA 1.786 63.727 62.300 -0.599 0.000 1.016 332 V CB -0.746 30.958 31.823 -0.198 0.000 0.650 332 V HN 0.454 nan 8.190 nan 0.000 0.449 333 R N 0.469 120.822 120.500 -0.245 0.000 2.094 333 R HA -0.196 4.143 4.340 -0.000 0.000 0.239 333 R C 1.568 177.773 176.300 -0.158 0.000 1.137 333 R CA 2.250 58.260 56.100 -0.151 0.000 0.943 333 R CB -0.568 29.668 30.300 -0.107 0.000 0.850 333 R HN 0.513 nan 8.270 nan 0.000 0.433 334 D N 0.540 120.822 120.400 -0.198 0.000 2.328 334 D HA 0.033 4.673 4.640 -0.000 0.000 0.221 334 D C -0.146 176.033 176.300 -0.201 0.000 1.072 334 D CA 0.071 53.977 54.000 -0.156 0.000 0.850 334 D CB 0.167 40.895 40.800 -0.120 0.000 0.922 334 D HN 0.165 nan 8.370 nan 0.000 0.516 335 K N 1.355 121.535 120.400 -0.368 0.000 3.257 335 K HA -0.179 4.141 4.320 -0.000 0.000 0.270 335 K C -0.665 175.791 176.600 -0.240 0.000 0.984 335 K CA 0.514 56.556 56.287 -0.409 0.000 0.739 335 K CB -0.978 31.507 32.500 -0.025 0.000 1.351 335 K HN 0.098 nan 8.250 nan 0.000 0.463 336 D N -0.609 119.511 120.400 -0.468 0.000 2.484 336 D HA 0.086 4.726 4.640 -0.000 0.000 0.206 336 D C -2.487 173.421 176.300 -0.653 0.000 1.322 336 D CA -1.380 52.330 54.000 -0.484 0.000 0.913 336 D CB 1.452 42.116 40.800 -0.227 0.000 1.559 336 D HN -0.102 nan 8.370 nan 0.000 0.565 337 P HA 0.183 nan 4.420 nan 0.000 0.257 337 P C 0.565 177.320 177.300 -0.908 0.000 1.325 337 P CA -0.045 62.425 63.100 -1.050 0.000 0.850 337 P CB 0.321 31.024 31.700 -1.660 0.000 1.324 338 R N -0.745 119.418 120.500 -0.560 0.000 2.312 338 R HA 0.276 4.616 4.340 -0.000 0.000 0.205 338 R C 0.573 176.796 176.300 -0.129 0.000 0.904 338 R CA 0.197 56.161 56.100 -0.226 0.000 1.052 338 R CB 0.371 30.625 30.300 -0.076 0.000 1.014 338 R HN 0.160 nan 8.270 nan 0.000 0.503 339 I N 0.190 120.668 120.570 -0.153 0.000 2.686 339 I HA 0.520 4.690 4.170 -0.000 0.000 0.295 339 I C -0.977 175.092 176.117 -0.080 0.000 1.114 339 I CA -0.993 60.278 61.300 -0.049 0.000 1.038 339 I CB 2.043 40.016 38.000 -0.045 0.000 1.238 339 I HN -0.092 nan 8.210 nan 0.000 0.420 340 A N 3.641 126.457 122.820 -0.007 0.000 2.547 340 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 340 A C -0.300 177.303 177.584 0.032 0.000 1.056 340 A CA -0.500 51.504 52.037 -0.055 0.000 0.688 340 A CB 1.628 20.537 19.000 -0.152 0.000 1.282 340 A HN 0.746 nan 8.150 nan 0.000 0.400 341 S N 1.096 116.804 115.700 0.014 0.000 2.585 341 S HA 0.264 4.734 4.470 -0.000 0.000 0.273 341 S C 0.858 175.466 174.600 0.014 0.000 1.339 341 S CA 0.225 58.464 58.200 0.066 0.000 1.028 341 S CB 0.205 63.419 63.200 0.023 0.000 0.906 341 S HN 1.264 nan 8.310 nan 0.000 0.528 342 Y N 2.342 122.619 120.300 -0.038 0.000 2.207 342 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 342 Y C 2.645 178.474 175.900 -0.118 0.000 1.156 342 Y CA 2.131 60.168 58.100 -0.106 0.000 1.182 342 Y CB -0.299 38.065 38.460 -0.160 0.000 0.979 342 Y HN 0.840 nan 8.280 nan 0.000 0.521 343 R N -0.094 120.345 120.500 -0.103 0.000 2.083 343 R HA -0.265 4.075 4.340 -0.000 0.000 0.237 343 R C 2.378 178.556 176.300 -0.205 0.000 1.137 343 R CA 1.981 58.001 56.100 -0.133 0.000 0.951 343 R CB -0.353 29.961 30.300 0.024 0.000 0.851 343 R HN 0.412 nan 8.270 nan 0.000 0.434 344 Q N 0.718 120.417 119.800 -0.169 0.000 2.016 344 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 344 Q C 2.085 177.922 176.000 -0.271 0.000 0.978 344 Q CA 1.800 57.496 55.803 -0.180 0.000 0.833 344 Q CB -0.360 28.287 28.738 -0.152 0.000 0.895 344 Q HN 0.468 nan 8.270 nan 0.000 0.427 345 L N 0.395 121.398 121.223 -0.367 0.000 2.043 345 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 345 L C 2.569 179.150 176.870 -0.483 0.000 1.075 345 L CA 1.935 56.479 54.840 -0.493 0.000 0.752 345 L CB -0.588 41.089 42.059 -0.638 0.000 0.891 345 L HN 0.439 nan 8.230 nan 0.000 0.432 346 E N -0.015 119.848 120.200 -0.562 0.000 2.077 346 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 346 E C 2.200 178.665 176.600 -0.225 0.000 0.989 346 E CA 1.278 57.411 56.400 -0.444 0.000 0.800 346 E CB 0.063 29.448 29.700 -0.526 0.000 0.746 346 E HN 0.543 nan 8.360 nan 0.000 0.452 347 Q N -0.505 119.186 119.800 -0.182 0.000 2.230 347 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 347 Q C 2.119 178.143 176.000 0.039 0.000 0.963 347 Q CA 1.174 56.941 55.803 -0.060 0.000 0.866 347 Q CB 0.016 28.727 28.738 -0.046 0.000 0.931 347 Q HN 0.384 nan 8.270 nan 0.000 0.452 348 M N -0.065 119.513 119.600 -0.037 0.000 2.254 348 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 348 M C 1.929 178.353 176.300 0.207 0.000 1.066 348 M CA 1.163 56.514 55.300 0.085 0.000 1.123 348 M CB 0.024 32.479 32.600 -0.241 0.000 1.388 348 M HN 0.215 nan 8.290 nan 0.000 0.425 349 L N 0.118 121.341 121.223 -0.001 0.000 2.072 349 L HA -0.199 4.141 4.340 -0.000 0.000 0.205 349 L C 2.636 179.533 176.870 0.044 0.000 1.079 349 L CA 1.271 56.128 54.840 0.028 0.000 0.752 349 L CB -0.400 41.619 42.059 -0.067 0.000 0.906 349 L HN 0.438 nan 8.230 nan 0.000 0.436 350 Q N -1.060 118.746 119.800 0.010 0.000 2.432 350 Q HA 0.004 4.344 4.340 -0.000 0.000 0.205 350 Q C 1.613 177.593 176.000 -0.034 0.000 0.945 350 Q CA 0.944 56.740 55.803 -0.012 0.000 0.924 350 Q CB -0.223 28.500 28.738 -0.025 0.000 1.016 350 Q HN 0.364 nan 8.270 nan 0.000 0.503 351 G N 1.657 110.453 108.800 -0.007 0.000 3.124 351 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 351 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 351 G C -0.142 174.444 174.900 -0.524 0.000 1.181 351 G CA -0.537 44.423 45.100 -0.234 0.000 0.803 351 G HN 0.313 nan 8.290 nan 0.000 0.529 352 N N -0.260 118.324 118.700 -0.194 0.000 2.666 352 N HA -0.205 4.535 4.740 -0.000 0.000 0.274 352 N C -0.443 174.935 175.510 -0.219 0.000 1.043 352 N CA 0.778 53.740 53.050 -0.147 0.000 0.782 352 N CB -0.973 37.428 38.487 -0.144 0.000 0.912 352 N HN 0.515 nan 8.380 nan 0.000 0.556 353 Y N -0.686 119.657 120.300 0.072 0.000 2.524 353 Y HA 0.305 4.855 4.550 -0.000 0.000 0.266 353 Y C 1.877 177.719 175.900 -0.096 0.000 1.180 353 Y CA 0.424 58.551 58.100 0.046 0.000 1.244 353 Y CB 0.388 38.947 38.460 0.165 0.000 1.125 353 Y HN 0.523 nan 8.280 nan 0.000 0.524 354 G N -1.259 107.499 108.800 -0.069 0.000 2.163 354 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.213 354 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.213 354 G C -0.391 174.203 174.900 -0.510 0.000 0.991 354 G CA -0.640 44.232 45.100 -0.380 0.000 0.653 354 G HN 0.226 nan 8.290 nan 0.000 0.518 355 Y N 0.989 121.284 120.300 -0.008 0.000 2.310 355 Y HA 0.613 5.163 4.550 -0.000 0.000 0.326 355 Y C 0.917 176.809 175.900 -0.014 0.000 1.151 355 Y CA -0.282 57.825 58.100 0.012 0.000 1.195 355 Y CB 1.070 39.575 38.460 0.074 0.000 1.210 355 Y HN 0.206 nan 8.280 nan 0.000 0.483 356 Q N 2.722 122.624 119.800 0.170 0.000 2.322 356 Q HA 0.376 4.716 4.340 -0.000 0.000 0.265 356 Q C -0.598 175.463 176.000 0.101 0.000 0.985 356 Q CA -0.992 54.879 55.803 0.113 0.000 0.849 356 Q CB 2.272 31.084 28.738 0.123 0.000 1.274 356 Q HN 0.526 nan 8.270 nan 0.000 0.449 357 R N 4.041 124.579 120.500 0.064 0.000 2.216 357 R HA 0.370 4.710 4.340 -0.000 0.000 0.332 357 R C -1.059 175.218 176.300 -0.038 0.000 1.056 357 R CA -0.020 56.108 56.100 0.046 0.000 0.901 357 R CB 0.265 30.621 30.300 0.093 0.000 1.039 357 R HN 0.594 nan 8.270 nan 0.000 0.456 358 L N 3.613 124.682 121.223 -0.256 0.000 2.304 358 L HA 0.603 4.942 4.340 -0.000 0.000 0.268 358 L C -0.598 176.142 176.870 -0.215 0.000 1.010 358 L CA -1.014 53.580 54.840 -0.410 0.000 0.813 358 L CB 1.823 43.301 42.059 -0.968 0.000 1.315 358 L HN 0.635 nan 8.230 nan 0.000 0.445 359 W N 1.859 123.072 121.300 -0.145 0.000 2.957 359 W HA 0.300 4.960 4.660 -0.000 0.000 0.336 359 W C -1.621 175.045 176.519 0.245 0.000 1.087 359 W CA -0.590 56.801 57.345 0.077 0.000 1.235 359 W CB 1.909 31.379 29.460 0.018 0.000 1.399 359 W HN 0.434 nan 8.180 nan 0.000 0.480 360 N N 3.853 122.347 118.700 -0.344 0.000 2.437 360 N HA 0.042 4.782 4.740 -0.000 0.000 0.259 360 N C -0.096 174.978 175.510 -0.726 0.000 0.983 360 N CA 0.207 53.054 53.050 -0.339 0.000 0.937 360 N CB 1.328 39.586 38.487 -0.381 0.000 1.122 360 N HN 0.456 nan 8.380 nan 0.000 0.499 361 D N 2.406 122.643 120.400 -0.271 0.000 2.349 361 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 361 D C 1.035 177.264 176.300 -0.118 0.000 1.029 361 D CA 0.744 54.687 54.000 -0.095 0.000 0.879 361 D CB 0.585 41.505 40.800 0.199 0.000 0.906 361 D HN 0.405 nan 8.370 nan 0.000 0.528 362 K N -1.042 119.264 120.400 -0.156 0.000 2.121 362 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 362 K C 2.061 178.603 176.600 -0.098 0.000 1.041 362 K CA 1.228 57.467 56.287 -0.081 0.000 0.969 362 K CB -0.584 31.887 32.500 -0.048 0.000 0.799 362 K HN 0.232 nan 8.250 nan 0.000 0.456 363 T N -0.519 113.881 114.554 -0.258 0.000 3.023 363 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 363 T C 0.478 174.921 174.700 -0.429 0.000 1.093 363 T CA 0.221 62.131 62.100 -0.317 0.000 1.129 363 T CB -0.019 68.533 68.868 -0.527 0.000 0.899 363 T HN 0.003 nan 8.240 nan 0.000 0.491 364 K N 2.152 122.179 120.400 -0.621 0.000 3.125 364 K HA -0.115 4.205 4.320 -0.000 0.000 0.268 364 K C -0.048 175.989 176.600 -0.939 0.000 1.078 364 K CA 1.235 57.034 56.287 -0.813 0.000 0.775 364 K CB -2.800 29.365 32.500 -0.557 0.000 1.253 364 K HN 0.897 nan 8.250 nan 0.000 0.486 365 T N -2.387 111.447 114.554 -1.201 0.000 2.903 365 T HA 0.713 5.063 4.350 -0.000 0.000 0.299 365 T C -2.901 171.408 174.700 -0.651 0.000 1.093 365 T CA -1.751 59.895 62.100 -0.758 0.000 1.002 365 T CB 3.779 72.412 68.868 -0.392 0.000 1.127 365 T HN -0.153 nan 8.240 nan 0.000 0.488 366 P HA 0.566 nan 4.420 nan 0.000 0.284 366 P C -1.655 175.709 177.300 0.107 0.000 1.287 366 P CA -0.535 62.579 63.100 0.022 0.000 0.824 366 P CB 0.725 32.373 31.700 -0.088 0.000 1.180 367 Y N -2.468 117.910 120.300 0.130 0.000 2.592 367 Y HA 0.608 5.158 4.550 -0.000 0.000 0.334 367 Y C -1.762 174.287 175.900 0.248 0.000 1.136 367 Y CA -1.433 56.762 58.100 0.158 0.000 1.042 367 Y CB 0.476 38.960 38.460 0.039 0.000 1.325 367 Y HN 0.090 nan 8.280 nan 0.000 0.457 368 L N 3.074 124.404 121.223 0.178 0.000 2.325 368 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 368 L C -1.341 175.726 176.870 0.328 0.000 1.023 368 L CA -1.069 53.857 54.840 0.144 0.000 0.811 368 L CB 1.751 43.791 42.059 -0.032 0.000 1.249 368 L HN 0.772 nan 8.230 nan 0.000 0.431 369 Y N 2.426 122.876 120.300 0.250 0.000 2.361 369 Y HA 0.328 4.878 4.550 -0.000 0.000 0.337 369 Y C -0.738 175.338 175.900 0.293 0.000 0.965 369 Y CA -0.887 57.404 58.100 0.318 0.000 1.091 369 Y CB 1.125 39.751 38.460 0.277 0.000 1.182 369 Y HN 0.486 nan 8.280 nan 0.000 0.450 370 H N 6.398 125.223 119.070 -0.408 0.000 2.683 370 H HA 0.456 5.012 4.556 -0.000 0.000 0.270 370 H C 0.465 175.315 175.328 -0.798 0.000 1.201 370 H CA 0.521 56.265 56.048 -0.507 0.000 1.277 370 H CB 1.204 30.764 29.762 -0.336 0.000 1.400 370 H HN 1.004 nan 8.280 nan 0.000 0.504 371 A N 3.744 125.970 122.820 -0.991 0.000 1.903 371 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 371 A C 2.268 179.709 177.584 -0.238 0.000 1.191 371 A CA 2.029 53.706 52.037 -0.599 0.000 0.638 371 A CB -0.451 18.401 19.000 -0.247 0.000 0.823 371 A HN 0.781 nan 8.150 nan 0.000 0.451 372 Q N -0.444 119.203 119.800 -0.256 0.000 2.002 372 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 372 Q C 1.581 177.639 176.000 0.096 0.000 0.988 372 Q CA 1.965 57.738 55.803 -0.051 0.000 0.843 372 Q CB -0.193 28.512 28.738 -0.054 0.000 0.908 372 Q HN 0.841 nan 8.270 nan 0.000 0.420 373 N N -1.214 117.669 118.700 0.305 0.000 2.336 373 N HA 0.093 4.832 4.740 -0.000 0.000 0.189 373 N C -0.017 175.525 175.510 0.054 0.000 1.113 373 N CA 0.333 53.444 53.050 0.102 0.000 0.858 373 N CB 0.711 39.145 38.487 -0.088 0.000 0.970 373 N HN 0.385 nan 8.380 nan 0.000 0.471 374 G N 1.768 110.614 108.800 0.076 0.000 2.326 374 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.286 374 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.286 374 G C -0.390 174.588 174.900 0.129 0.000 1.096 374 G CA 0.001 45.160 45.100 0.098 0.000 1.003 374 G HN 0.165 nan 8.290 nan 0.000 0.503 375 L N -0.922 120.399 121.223 0.164 0.000 2.330 375 L HA 0.911 5.251 4.340 -0.000 0.000 0.271 375 L C -0.140 177.004 176.870 0.457 0.000 1.013 375 L CA -1.372 53.631 54.840 0.272 0.000 0.816 375 L CB 1.944 44.161 42.059 0.263 0.000 1.287 375 L HN 0.178 nan 8.230 nan 0.000 0.435 376 F N 1.980 122.118 119.950 0.314 0.000 2.561 376 F HA 0.728 5.255 4.527 -0.000 0.000 0.313 376 F C -1.360 174.636 175.800 0.328 0.000 1.126 376 F CA -0.635 57.545 58.000 0.300 0.000 0.918 376 F CB 1.752 40.797 39.000 0.076 0.000 1.199 376 F HN 0.046 nan 8.300 nan 0.000 0.444 377 V N 4.221 123.803 119.914 -0.553 0.000 2.577 377 V HA 0.481 4.601 4.120 -0.000 0.000 0.303 377 V C -0.447 175.315 176.094 -0.554 0.000 1.042 377 V CA -0.751 61.331 62.300 -0.363 0.000 0.872 377 V CB 1.748 33.470 31.823 -0.168 0.000 0.998 377 V HN 0.854 nan 8.190 nan 0.000 0.423 378 T N 5.059 119.456 114.554 -0.262 0.000 2.771 378 T HA 0.762 5.112 4.350 -0.000 0.000 0.281 378 T C -0.908 173.919 174.700 0.210 0.000 0.982 378 T CA -0.168 61.913 62.100 -0.033 0.000 0.978 378 T CB 0.509 69.431 68.868 0.089 0.000 0.930 378 T HN 0.850 nan 8.240 nan 0.000 0.447 379 Y N 1.553 121.852 120.300 -0.002 0.000 2.853 379 Y HA 0.810 5.360 4.550 -0.000 0.000 0.326 379 Y C -1.585 174.324 175.900 0.015 0.000 1.384 379 Y CA -1.618 56.473 58.100 -0.015 0.000 1.077 379 Y CB 0.455 38.904 38.460 -0.018 0.000 1.395 379 Y HN 0.501 nan 8.280 nan 0.000 0.451 380 D N 0.218 120.521 120.400 -0.163 0.000 2.419 380 D HA 0.536 5.176 4.640 -0.000 0.000 0.234 380 D C -1.413 174.591 176.300 -0.493 0.000 1.014 380 D CA -0.122 53.681 54.000 -0.327 0.000 0.919 380 D CB 1.936 42.706 40.800 -0.050 0.000 1.366 380 D HN 0.731 nan 8.370 nan 0.000 0.490 381 D N -1.040 118.949 120.400 -0.686 0.000 2.812 381 D HA 0.394 5.034 4.640 -0.000 0.000 0.318 381 D C 0.269 176.018 176.300 -0.918 0.000 1.234 381 D CA -0.764 52.786 54.000 -0.749 0.000 0.989 381 D CB 0.352 41.050 40.800 -0.170 0.000 1.442 381 D HN 0.289 nan 8.370 nan 0.000 0.537 382 A N -0.459 122.015 122.820 -0.577 0.000 2.070 382 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 382 A C 1.755 179.338 177.584 -0.001 0.000 1.159 382 A CA 1.408 53.291 52.037 -0.256 0.000 0.656 382 A CB -0.671 18.245 19.000 -0.139 0.000 0.800 382 A HN 0.508 nan 8.150 nan 0.000 0.453 383 E N 0.263 120.431 120.200 -0.052 0.000 2.028 383 E HA -0.121 4.228 4.350 -0.000 0.000 0.190 383 E C 2.571 179.342 176.600 0.284 0.000 0.984 383 E CA 1.504 57.917 56.400 0.022 0.000 0.800 383 E CB -0.380 29.240 29.700 -0.134 0.000 0.758 383 E HN 0.736 nan 8.360 nan 0.000 0.448 384 S N 0.571 116.488 115.700 0.362 0.000 2.399 384 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 384 S C 1.921 176.802 174.600 0.467 0.000 1.022 384 S CA 0.765 59.247 58.200 0.471 0.000 0.983 384 S CB -0.529 62.775 63.200 0.175 0.000 0.803 384 S HN 0.077 nan 8.310 nan 0.000 0.480 385 F N 2.492 122.541 119.950 0.165 0.000 2.333 385 F HA 0.162 4.689 4.527 -0.000 0.000 0.300 385 F C 2.249 178.090 175.800 0.068 0.000 1.083 385 F CA 0.060 58.152 58.000 0.154 0.000 1.395 385 F CB -0.739 38.362 39.000 0.170 0.000 1.056 385 F HN 0.304 nan 8.300 nan 0.000 0.529 386 K N -0.733 119.665 120.400 -0.004 0.000 2.025 386 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 386 K C 1.993 178.408 176.600 -0.308 0.000 1.049 386 K CA 1.709 57.639 56.287 -0.595 0.000 0.933 386 K CB -0.526 31.523 32.500 -0.751 0.000 0.714 386 K HN 0.219 nan 8.250 nan 0.000 0.438 387 Y N 1.423 121.770 120.300 0.078 0.000 2.242 387 Y HA -0.139 4.411 4.550 -0.000 0.000 0.291 387 Y C 2.185 178.167 175.900 0.138 0.000 1.137 387 Y CA 1.175 59.355 58.100 0.134 0.000 1.181 387 Y CB -0.145 38.413 38.460 0.163 0.000 0.989 387 Y HN -0.029 nan 8.280 nan 0.000 0.527 388 K N -0.147 120.412 120.400 0.264 0.000 2.097 388 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 388 K C 2.373 179.110 176.600 0.229 0.000 1.050 388 K CA 1.018 57.419 56.287 0.190 0.000 0.938 388 K CB -0.310 32.285 32.500 0.157 0.000 0.718 388 K HN 0.279 nan 8.250 nan 0.000 0.442 389 A N 1.747 124.657 122.820 0.150 0.000 1.930 389 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 389 A C 2.034 179.777 177.584 0.264 0.000 1.175 389 A CA 1.518 53.622 52.037 0.112 0.000 0.627 389 A CB -0.299 18.579 19.000 -0.202 0.000 0.815 389 A HN 0.207 nan 8.150 nan 0.000 0.443 390 K N -1.831 118.686 120.400 0.195 0.000 2.097 390 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 390 K C 1.856 178.626 176.600 0.284 0.000 1.050 390 K CA 1.511 57.929 56.287 0.218 0.000 0.938 390 K CB -0.355 32.236 32.500 0.151 0.000 0.718 390 K HN 0.536 nan 8.250 nan 0.000 0.442 391 Y N 1.151 121.566 120.300 0.192 0.000 2.181 391 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 391 Y C 1.763 177.772 175.900 0.181 0.000 1.146 391 Y CA 1.638 59.852 58.100 0.189 0.000 1.164 391 Y CB -0.039 38.507 38.460 0.143 0.000 0.982 391 Y HN -0.004 nan 8.280 nan 0.000 0.515 392 I N 0.292 121.110 120.570 0.414 0.000 2.208 392 I HA -0.375 3.795 4.170 -0.000 0.000 0.245 392 I C 2.207 178.441 176.117 0.195 0.000 1.097 392 I CA 1.784 63.275 61.300 0.317 0.000 1.363 392 I CB -0.309 37.946 38.000 0.425 0.000 1.051 392 I HN 0.242 nan 8.210 nan 0.000 0.413 393 K N 0.192 120.736 120.400 0.240 0.000 2.031 393 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 393 K C 2.144 178.791 176.600 0.080 0.000 1.049 393 K CA 1.176 57.562 56.287 0.165 0.000 0.939 393 K CB -0.214 32.415 32.500 0.216 0.000 0.717 393 K HN 0.346 nan 8.250 nan 0.000 0.438 394 Q N 0.609 120.444 119.800 0.059 0.000 2.096 394 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 394 Q C 1.812 177.772 176.000 -0.067 0.000 0.982 394 Q CA 1.154 56.956 55.803 -0.002 0.000 0.850 394 Q CB 0.045 28.777 28.738 -0.010 0.000 0.901 394 Q HN 0.255 nan 8.270 nan 0.000 0.422 395 Q N 0.137 119.846 119.800 -0.151 0.000 2.444 395 Q HA -0.005 4.335 4.340 -0.000 0.000 0.206 395 Q C -0.219 175.758 176.000 -0.038 0.000 0.948 395 Q CA 0.282 55.995 55.803 -0.150 0.000 0.946 395 Q CB 0.474 29.037 28.738 -0.291 0.000 1.027 395 Q HN 0.419 nan 8.270 nan 0.000 0.513 396 Q N 0.348 120.145 119.800 -0.004 0.000 2.468 396 Q HA -0.189 4.151 4.340 -0.000 0.000 0.289 396 Q C -0.573 175.447 176.000 0.032 0.000 1.299 396 Q CA 0.271 56.085 55.803 0.018 0.000 0.838 396 Q CB -2.022 26.726 28.738 0.017 0.000 1.195 396 Q HN 0.372 nan 8.270 nan 0.000 0.456 397 L N -1.447 119.802 121.223 0.044 0.000 2.456 397 L HA 0.245 4.585 4.340 -0.000 0.000 0.257 397 L C 1.844 178.739 176.870 0.041 0.000 1.162 397 L CA 0.525 55.403 54.840 0.064 0.000 0.808 397 L CB 0.210 42.329 42.059 0.101 0.000 1.136 397 L HN 0.316 nan 8.230 nan 0.000 0.466 398 G N -0.280 108.564 108.800 0.074 0.000 2.471 398 G HA2 0.329 4.289 3.960 -0.000 0.000 0.219 398 G HA3 0.329 4.289 3.960 -0.000 0.000 0.219 398 G C 0.571 175.425 174.900 -0.076 0.000 1.125 398 G CA 0.768 45.924 45.100 0.093 0.000 0.775 398 G HN 0.951 nan 8.290 nan 0.000 0.548 399 G N -2.110 106.622 108.800 -0.113 0.000 2.356 399 G HA2 0.369 4.329 3.960 -0.000 0.000 0.266 399 G HA3 0.369 4.329 3.960 -0.000 0.000 0.266 399 G C -1.721 173.166 174.900 -0.021 0.000 1.312 399 G CA 0.090 45.069 45.100 -0.201 0.000 0.922 399 G HN 0.772 nan 8.290 nan 0.000 0.480 400 V N 1.162 121.109 119.914 0.055 0.000 2.864 400 V HA 0.913 5.033 4.120 -0.000 0.000 0.314 400 V C -0.477 175.666 176.094 0.081 0.000 1.073 400 V CA -0.712 61.680 62.300 0.154 0.000 0.956 400 V CB 1.800 33.805 31.823 0.304 0.000 1.023 400 V HN 1.184 nan 8.190 nan 0.000 0.435 401 M N 6.304 125.976 119.600 0.119 0.000 2.550 401 M HA 0.658 5.138 4.480 -0.000 0.000 0.292 401 M C -2.179 174.260 176.300 0.231 0.000 1.221 401 M CA -0.536 54.805 55.300 0.068 0.000 0.873 401 M CB 2.066 34.730 32.600 0.106 0.000 1.727 401 M HN 0.745 nan 8.290 nan 0.000 0.459 402 F N 1.520 121.521 119.950 0.084 0.000 2.601 402 F HA 0.757 5.283 4.527 -0.000 0.000 0.309 402 F C -2.046 173.763 175.800 0.015 0.000 1.089 402 F CA -1.090 56.885 58.000 -0.043 0.000 0.940 402 F CB 1.220 39.895 39.000 -0.542 0.000 1.273 402 F HN 0.679 nan 8.300 nan 0.000 0.450 403 W N 5.497 126.825 121.300 0.047 0.000 2.362 403 W HA 0.531 5.191 4.660 -0.000 0.000 0.316 403 W C -1.861 174.750 176.519 0.153 0.000 1.024 403 W CA -0.636 56.725 57.345 0.027 0.000 1.270 403 W CB 1.383 30.716 29.460 -0.212 0.000 1.273 403 W HN 1.024 nan 8.180 nan 0.000 0.424 404 H N 2.539 121.351 119.070 -0.430 0.000 2.985 404 H HA 0.306 4.862 4.556 -0.000 0.000 0.360 404 H C 0.483 175.651 175.328 -0.266 0.000 1.221 404 H CA -0.979 54.669 56.048 -0.668 0.000 1.121 404 H CB 1.354 30.175 29.762 -1.568 0.000 1.854 404 H HN 0.278 nan 8.280 nan 0.000 0.551 405 L N 0.733 121.946 121.223 -0.017 0.000 2.089 405 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 405 L C 2.121 178.725 176.870 -0.443 0.000 1.079 405 L CA 2.142 57.039 54.840 0.095 0.000 0.758 405 L CB -0.692 41.532 42.059 0.275 0.000 0.891 405 L HN 1.076 nan 8.230 nan 0.000 0.433 406 G N -1.414 107.087 108.800 -0.498 0.000 2.625 406 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.214 406 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.214 406 G C 1.257 175.722 174.900 -0.724 0.000 1.132 406 G CA 0.130 44.713 45.100 -0.862 0.000 0.782 406 G HN 0.523 nan 8.290 nan 0.000 0.538 407 Q N -0.362 119.068 119.800 -0.617 0.000 2.282 407 Q HA 0.110 4.450 4.340 -0.000 0.000 0.206 407 Q C 0.169 176.181 176.000 0.020 0.000 0.878 407 Q CA -0.477 55.196 55.803 -0.217 0.000 0.944 407 Q CB 0.580 29.228 28.738 -0.150 0.000 1.100 407 Q HN 0.273 nan 8.270 nan 0.000 0.509 408 D N 1.764 122.181 120.400 0.029 0.000 2.371 408 D HA -0.022 4.618 4.640 -0.000 0.000 0.242 408 D C -0.049 176.367 176.300 0.193 0.000 1.218 408 D CA -0.082 53.962 54.000 0.073 0.000 0.945 408 D CB 0.680 41.547 40.800 0.111 0.000 1.137 408 D HN 0.094 nan 8.370 nan 0.000 0.464 409 N N 0.643 119.470 118.700 0.212 0.000 2.327 409 N HA 0.068 4.808 4.740 -0.000 0.000 0.257 409 N C 0.805 176.442 175.510 0.212 0.000 1.281 409 N CA -0.203 52.961 53.050 0.190 0.000 0.942 409 N CB 0.366 38.940 38.487 0.146 0.000 1.199 409 N HN 0.183 nan 8.380 nan 0.000 0.532 410 R N 0.160 120.745 120.500 0.142 0.000 2.120 410 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 410 R C 1.027 177.371 176.300 0.074 0.000 1.123 410 R CA 1.128 57.286 56.100 0.097 0.000 0.975 410 R CB -1.240 29.079 30.300 0.032 0.000 0.866 410 R HN 0.718 nan 8.270 nan 0.000 0.446 411 N N -0.274 118.464 118.700 0.064 0.000 2.494 411 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 411 N C 0.454 175.995 175.510 0.051 0.000 1.076 411 N CA 0.444 53.519 53.050 0.041 0.000 0.908 411 N CB 0.261 38.763 38.487 0.024 0.000 0.967 411 N HN 0.325 nan 8.380 nan 0.000 0.449 412 G N 1.507 110.360 108.800 0.089 0.000 2.272 412 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.280 412 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.280 412 G C 0.247 175.137 174.900 -0.017 0.000 1.067 412 G CA 0.302 45.452 45.100 0.083 0.000 0.902 412 G HN 0.288 nan 8.290 nan 0.000 0.500 413 D N -0.165 120.206 120.400 -0.048 0.000 2.144 413 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 413 D C 2.731 178.880 176.300 -0.252 0.000 0.984 413 D CA 1.087 55.016 54.000 -0.119 0.000 0.834 413 D CB -0.009 40.748 40.800 -0.073 0.000 0.955 413 D HN 0.562 nan 8.370 nan 0.000 0.465 414 L N 0.067 121.038 121.223 -0.421 0.000 2.027 414 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 414 L C 2.430 179.139 176.870 -0.267 0.000 1.074 414 L CA 0.497 55.000 54.840 -0.562 0.000 0.745 414 L CB -0.412 40.849 42.059 -1.331 0.000 0.898 414 L HN 0.090 nan 8.230 nan 0.000 0.433 415 L N 0.503 121.617 121.223 -0.182 0.000 2.046 415 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 415 L C 2.640 179.464 176.870 -0.076 0.000 1.077 415 L CA 2.042 56.853 54.840 -0.047 0.000 0.747 415 L CB -0.815 41.295 42.059 0.085 0.000 0.896 415 L HN 0.138 nan 8.230 nan 0.000 0.432 416 A N -0.355 122.403 122.820 -0.103 0.000 1.908 416 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 416 A C 2.470 179.881 177.584 -0.288 0.000 1.181 416 A CA 2.006 53.961 52.037 -0.138 0.000 0.627 416 A CB -1.223 17.711 19.000 -0.109 0.000 0.818 416 A HN 0.615 nan 8.150 nan 0.000 0.445 417 A N -0.258 122.338 122.820 -0.372 0.000 1.902 417 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 417 A C 2.186 179.144 177.584 -1.043 0.000 1.181 417 A CA 1.501 53.078 52.037 -0.765 0.000 0.623 417 A CB -0.625 18.082 19.000 -0.488 0.000 0.818 417 A HN 0.479 nan 8.150 nan 0.000 0.443 418 L N -0.612 120.311 121.223 -0.499 0.000 2.012 418 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 418 L C 2.480 179.139 176.870 -0.352 0.000 1.073 418 L CA 2.033 56.623 54.840 -0.416 0.000 0.748 418 L CB -0.648 41.317 42.059 -0.155 0.000 0.891 418 L HN 0.545 nan 8.230 nan 0.000 0.431 419 D N -0.125 120.173 120.400 -0.170 0.000 2.117 419 D HA -0.244 4.396 4.640 -0.000 0.000 0.197 419 D C 2.303 178.533 176.300 -0.117 0.000 0.987 419 D CA 1.203 55.186 54.000 -0.028 0.000 0.829 419 D CB 0.041 40.843 40.800 0.002 0.000 0.961 419 D HN 0.063 nan 8.370 nan 0.000 0.460 420 R N -1.128 119.180 120.500 -0.320 0.000 2.083 420 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 420 R C 1.950 178.066 176.300 -0.306 0.000 1.137 420 R CA 1.508 57.410 56.100 -0.329 0.000 0.951 420 R CB -0.479 29.518 30.300 -0.506 0.000 0.851 420 R HN 0.280 nan 8.270 nan 0.000 0.434 421 Y N -0.600 119.391 120.300 -0.514 0.000 2.403 421 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 421 Y C 1.786 177.615 175.900 -0.119 0.000 1.143 421 Y CA 0.603 58.367 58.100 -0.559 0.000 1.257 421 Y CB -0.368 37.713 38.460 -0.632 0.000 0.984 421 Y HN 0.079 nan 8.280 nan 0.000 0.550 422 F N -0.892 119.145 119.950 0.146 0.000 2.505 422 F HA 0.090 4.617 4.527 -0.000 0.000 0.289 422 F C 1.646 177.521 175.800 0.125 0.000 1.101 422 F CA 0.408 58.494 58.000 0.143 0.000 1.446 422 F CB -0.195 38.864 39.000 0.097 0.000 1.123 422 F HN 0.007 nan 8.300 nan 0.000 0.564 423 N N -0.337 118.527 118.700 0.273 0.000 2.257 423 N HA 0.222 4.962 4.740 -0.000 0.000 0.200 423 N C 0.532 176.130 175.510 0.147 0.000 1.163 423 N CA 0.307 53.470 53.050 0.188 0.000 0.891 423 N CB 0.295 38.873 38.487 0.151 0.000 1.067 423 N HN -0.007 nan 8.380 nan 0.000 0.497 424 A N 1.012 123.917 122.820 0.143 0.000 2.492 424 A HA 0.488 4.808 4.320 -0.000 0.000 0.254 424 A C 1.402 179.083 177.584 0.161 0.000 1.091 424 A CA 0.244 52.361 52.037 0.134 0.000 0.768 424 A CB 0.333 19.410 19.000 0.129 0.000 1.028 424 A HN 0.262 nan 8.150 nan 0.000 0.498 425 A N 2.287 125.175 122.820 0.113 0.000 2.015 425 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 425 A C 1.247 178.887 177.584 0.093 0.000 1.163 425 A CA 1.709 53.803 52.037 0.095 0.000 0.646 425 A CB -0.336 18.704 19.000 0.068 0.000 0.806 425 A HN 0.857 nan 8.150 nan 0.000 0.448 426 D N -2.776 117.689 120.400 0.107 0.000 2.342 426 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 426 D C -0.016 176.369 176.300 0.143 0.000 1.101 426 D CA -0.339 53.719 54.000 0.097 0.000 0.837 426 D CB -0.506 40.340 40.800 0.077 0.000 0.938 426 D HN 0.420 nan 8.370 nan 0.000 0.508 427 Y N 1.256 121.588 120.300 0.053 0.000 2.341 427 Y HA 0.463 5.013 4.550 -0.000 0.000 0.337 427 Y C -1.395 174.535 175.900 0.049 0.000 1.014 427 Y CA -1.465 56.673 58.100 0.063 0.000 1.111 427 Y CB 1.522 40.051 38.460 0.115 0.000 1.194 427 Y HN -0.201 nan 8.280 nan 0.000 0.462 428 D N 4.634 124.630 120.400 -0.674 0.000 2.476 428 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 428 D C -0.902 175.001 176.300 -0.663 0.000 1.291 428 D CA -0.587 53.117 54.000 -0.494 0.000 0.939 428 D CB 0.870 41.537 40.800 -0.221 0.000 1.221 428 D HN 0.698 nan 8.370 nan 0.000 0.567 429 D N 1.365 121.417 120.400 -0.581 0.000 2.427 429 D HA -0.011 4.629 4.640 -0.000 0.000 0.224 429 D C 1.187 177.387 176.300 -0.166 0.000 1.157 429 D CA -0.045 53.722 54.000 -0.388 0.000 0.828 429 D CB 0.024 40.676 40.800 -0.246 0.000 0.974 429 D HN 0.175 nan 8.370 nan 0.000 0.498 430 S N 0.245 115.864 115.700 -0.135 0.000 2.399 430 S HA -0.246 4.224 4.470 -0.000 0.000 0.231 430 S C 1.587 176.163 174.600 -0.041 0.000 1.022 430 S CA 0.784 58.948 58.200 -0.060 0.000 0.983 430 S CB -0.509 62.662 63.200 -0.048 0.000 0.803 430 S HN 0.377 nan 8.310 nan 0.000 0.480 431 Q N 0.261 120.025 119.800 -0.061 0.000 2.319 431 Q HA 0.370 4.710 4.340 -0.000 0.000 0.202 431 Q C -0.326 175.666 176.000 -0.014 0.000 0.896 431 Q CA -0.400 55.385 55.803 -0.030 0.000 0.942 431 Q CB -0.014 28.703 28.738 -0.035 0.000 1.083 431 Q HN 0.443 nan 8.270 nan 0.000 0.510 432 L N 2.641 123.843 121.223 -0.035 0.000 2.534 432 L HA 0.016 4.356 4.340 -0.000 0.000 0.271 432 L C -0.368 176.565 176.870 0.104 0.000 1.178 432 L CA 0.435 55.269 54.840 -0.009 0.000 0.907 432 L CB 0.412 42.407 42.059 -0.108 0.000 1.164 432 L HN -0.039 nan 8.230 nan 0.000 0.482 433 D N 4.706 125.213 120.400 0.178 0.000 2.280 433 D HA 0.144 4.784 4.640 -0.000 0.000 0.243 433 D C 0.803 177.304 176.300 0.335 0.000 1.129 433 D CA -0.320 53.802 54.000 0.203 0.000 0.848 433 D CB 0.900 41.788 40.800 0.148 0.000 1.107 433 D HN 0.494 nan 8.370 nan 0.000 0.471 434 M N 2.825 122.601 119.600 0.293 0.000 2.659 434 M HA 0.200 4.680 4.480 -0.000 0.000 0.243 434 M C 1.203 177.619 176.300 0.193 0.000 1.111 434 M CA 0.521 56.043 55.300 0.369 0.000 1.070 434 M CB -1.467 31.366 32.600 0.388 0.000 1.525 434 M HN 0.671 nan 8.290 nan 0.000 0.517 435 G N 0.984 109.847 108.800 0.105 0.000 2.741 435 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.222 435 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.222 435 G C 0.224 175.087 174.900 -0.063 0.000 1.364 435 G CA 0.131 45.247 45.100 0.027 0.000 0.866 435 G HN 0.431 nan 8.290 nan 0.000 0.555 436 T N -1.602 112.916 114.554 -0.060 0.000 3.228 436 T HA 0.604 4.954 4.350 -0.000 0.000 0.278 436 T C 1.196 175.836 174.700 -0.100 0.000 1.014 436 T CA 1.031 63.078 62.100 -0.088 0.000 0.904 436 T CB 0.460 69.302 68.868 -0.042 0.000 1.110 436 T HN 1.930 nan 8.240 nan 0.000 0.541 437 G N 1.673 110.407 108.800 -0.109 0.000 2.614 437 G HA2 0.458 4.418 3.960 -0.000 0.000 0.239 437 G HA3 0.458 4.418 3.960 -0.000 0.000 0.239 437 G C -0.212 174.645 174.900 -0.072 0.000 1.240 437 G CA -0.726 44.357 45.100 -0.028 0.000 0.842 437 G HN 0.421 nan 8.290 nan 0.000 0.584 438 L N 1.102 122.337 121.223 0.021 0.000 2.534 438 L HA 0.223 4.563 4.340 -0.000 0.000 0.271 438 L C 0.946 177.884 176.870 0.114 0.000 1.178 438 L CA 0.306 55.165 54.840 0.033 0.000 0.907 438 L CB 0.324 42.412 42.059 0.048 0.000 1.164 438 L HN 0.363 nan 8.230 nan 0.000 0.482 439 R N 1.984 122.517 120.500 0.056 0.000 2.500 439 R HA 0.255 4.595 4.340 -0.000 0.000 0.277 439 R C -0.868 175.565 176.300 0.222 0.000 1.026 439 R CA -0.700 55.504 56.100 0.173 0.000 1.058 439 R CB 0.306 30.644 30.300 0.064 0.000 1.078 439 R HN 0.377 nan 8.270 nan 0.000 0.509 440 Y N 1.163 121.582 120.300 0.199 0.000 2.569 440 Y HA -0.027 4.523 4.550 -0.000 0.000 0.332 440 Y C 1.206 177.163 175.900 0.096 0.000 1.120 440 Y CA 0.542 58.741 58.100 0.166 0.000 1.416 440 Y CB 0.662 39.234 38.460 0.187 0.000 1.210 440 Y HN 0.760 nan 8.280 nan 0.000 0.528 441 T N 1.631 115.951 114.554 -0.390 0.000 3.107 441 T HA 0.267 4.617 4.350 -0.000 0.000 0.249 441 T C 0.877 175.358 174.700 -0.365 0.000 1.096 441 T CA 0.122 62.052 62.100 -0.283 0.000 1.012 441 T CB -0.492 68.254 68.868 -0.204 0.000 0.977 441 T HN 0.748 nan 8.240 nan 0.000 0.527 442 G N 0.753 109.140 108.800 -0.687 0.000 2.527 442 G HA2 0.505 4.465 3.960 -0.000 0.000 0.248 442 G HA3 0.505 4.465 3.960 -0.000 0.000 0.248 442 G C -1.031 173.820 174.900 -0.081 0.000 1.231 442 G CA -0.373 44.508 45.100 -0.365 0.000 0.838 442 G HN 0.399 nan 8.290 nan 0.000 0.570 443 V N 0.686 120.519 119.914 -0.134 0.000 2.733 443 V HA 0.788 4.907 4.120 -0.000 0.000 0.306 443 V C 0.576 176.568 176.094 -0.169 0.000 1.084 443 V CA -0.105 62.134 62.300 -0.101 0.000 0.905 443 V CB 1.516 33.271 31.823 -0.112 0.000 1.010 443 V HN 1.170 nan 8.190 nan 0.000 0.424 444 G N 3.407 112.131 108.800 -0.126 0.000 3.140 444 G HA2 0.667 4.627 3.960 -0.000 0.000 0.271 444 G HA3 0.667 4.627 3.960 -0.000 0.000 0.271 444 G C -2.438 172.320 174.900 -0.237 0.000 1.370 444 G CA -1.404 43.575 45.100 -0.201 0.000 1.014 444 G HN 0.479 nan 8.290 nan 0.000 0.541 445 P HA -0.007 nan 4.420 nan 0.000 0.218 445 P C 1.706 178.922 177.300 -0.141 0.000 1.148 445 P CA 1.640 64.548 63.100 -0.320 0.000 0.822 445 P CB 0.208 31.687 31.700 -0.368 0.000 0.784 446 G N -0.874 107.899 108.800 -0.044 0.000 2.985 446 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.209 446 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.209 446 G C 0.454 175.365 174.900 0.017 0.000 1.165 446 G CA 0.035 45.142 45.100 0.011 0.000 0.776 446 G HN 0.502 nan 8.290 nan 0.000 0.541 447 N N -0.896 117.801 118.700 -0.005 0.000 2.628 447 N HA 0.289 5.029 4.740 -0.000 0.000 0.299 447 N C -0.294 175.202 175.510 -0.024 0.000 1.834 447 N CA -0.547 52.507 53.050 0.006 0.000 0.871 447 N CB 0.193 38.702 38.487 0.036 0.000 1.377 447 N HN -0.037 nan 8.380 nan 0.000 0.493 448 L N 1.189 122.383 121.223 -0.048 0.000 2.426 448 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 448 L C -1.724 175.122 176.870 -0.041 0.000 1.169 448 L CA -1.663 53.135 54.840 -0.071 0.000 0.836 448 L CB 0.330 42.329 42.059 -0.100 0.000 1.112 448 L HN 0.193 nan 8.230 nan 0.000 0.465 449 P HA 0.158 nan 4.420 nan 0.000 0.280 449 P C -0.247 177.036 177.300 -0.028 0.000 1.244 449 P CA -0.360 62.722 63.100 -0.029 0.000 0.784 449 P CB 0.920 32.603 31.700 -0.029 0.000 0.913 450 I N 3.566 124.125 120.570 -0.019 0.000 2.826 450 I HA -0.050 4.120 4.170 -0.000 0.000 0.295 450 I C 0.985 177.091 176.117 -0.018 0.000 1.213 450 I CA 1.228 62.517 61.300 -0.019 0.000 1.436 450 I CB -0.141 37.850 38.000 -0.015 0.000 1.348 450 I HN 0.264 nan 8.210 nan 0.000 0.570 451 M N 4.971 124.560 119.600 -0.018 0.000 2.683 451 M HA 0.451 4.931 4.480 -0.000 0.000 0.274 451 M C -0.749 175.548 176.300 -0.004 0.000 1.272 451 M CA -0.735 54.558 55.300 -0.011 0.000 0.833 451 M CB 2.656 35.246 32.600 -0.015 0.000 1.708 451 M HN 0.524 nan 8.290 nan 0.000 0.463 452 T N -0.794 113.764 114.554 0.007 0.000 2.912 452 T HA 0.960 5.310 4.350 -0.000 0.000 0.299 452 T C -1.098 173.621 174.700 0.031 0.000 1.052 452 T CA -0.779 61.330 62.100 0.016 0.000 0.996 452 T CB 2.112 70.988 68.868 0.013 0.000 1.070 452 T HN 1.011 nan 8.240 nan 0.000 0.465 453 A N 2.651 125.497 122.820 0.043 0.000 2.605 453 A HA 0.811 5.131 4.320 -0.000 0.000 0.294 453 A C -3.268 174.358 177.584 0.071 0.000 1.062 453 A CA -1.512 50.562 52.037 0.062 0.000 0.682 453 A CB 0.480 19.526 19.000 0.077 0.000 1.278 453 A HN 0.663 nan 8.150 nan 0.000 0.410 454 P HA 0.363 nan 4.420 nan 0.000 0.266 454 P C 0.200 177.562 177.300 0.104 0.000 1.195 454 P CA 0.512 63.663 63.100 0.086 0.000 0.768 454 P CB 0.623 32.384 31.700 0.101 0.000 0.838 455 A N 3.285 126.162 122.820 0.096 0.000 2.520 455 A HA 0.062 4.382 4.320 -0.000 0.000 0.235 455 A C -0.262 177.418 177.584 0.161 0.000 1.065 455 A CA -0.014 52.100 52.037 0.128 0.000 0.764 455 A CB -0.519 18.540 19.000 0.098 0.000 1.002 455 A HN 0.574 nan 8.150 nan 0.000 0.502 456 Y N 1.918 122.273 120.300 0.091 0.000 2.497 456 Y HA 0.384 4.934 4.550 -0.000 0.000 0.334 456 Y C -0.215 175.760 175.900 0.124 0.000 1.199 456 Y CA 0.213 58.329 58.100 0.027 0.000 1.425 456 Y CB 0.636 38.951 38.460 -0.240 0.000 1.291 456 Y HN 0.357 nan 8.280 nan 0.000 0.562 457 V N 9.232 128.770 119.914 -0.626 0.000 2.326 457 V HA 0.294 4.414 4.120 -0.000 0.000 0.281 457 V C -2.168 173.512 176.094 -0.691 0.000 1.015 457 V CA -2.011 60.022 62.300 -0.445 0.000 0.823 457 V CB 1.130 32.834 31.823 -0.198 0.000 1.009 457 V HN 0.737 nan 8.190 nan 0.000 0.436 458 P HA 0.199 nan 4.420 nan 0.000 0.267 458 P C 0.886 178.129 177.300 -0.096 0.000 1.205 458 P CA 1.181 64.204 63.100 -0.130 0.000 0.765 458 P CB 1.170 32.920 31.700 0.084 0.000 0.828 459 G N 1.916 110.693 108.800 -0.039 0.000 2.218 459 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 459 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 459 G C 0.225 175.074 174.900 -0.085 0.000 0.994 459 G CA -0.109 44.969 45.100 -0.037 0.000 0.637 459 G HN 0.633 nan 8.290 nan 0.000 0.505 460 T N 2.051 116.498 114.554 -0.178 0.000 2.909 460 T HA 0.575 4.925 4.350 -0.000 0.000 0.289 460 T C 0.208 174.720 174.700 -0.314 0.000 1.005 460 T CA 0.593 62.499 62.100 -0.324 0.000 1.084 460 T CB 1.562 70.080 68.868 -0.585 0.000 0.975 460 T HN 0.195 nan 8.240 nan 0.000 0.509 461 T N 3.010 117.375 114.554 -0.314 0.000 2.829 461 T HA 0.505 4.855 4.350 -0.000 0.000 0.282 461 T C -1.040 173.471 174.700 -0.315 0.000 0.990 461 T CA -0.336 61.673 62.100 -0.152 0.000 1.028 461 T CB 0.322 69.177 68.868 -0.021 0.000 0.951 461 T HN 0.391 nan 8.240 nan 0.000 0.460 462 Y N 0.904 121.212 120.300 0.012 0.000 2.429 462 Y HA 0.619 5.169 4.550 -0.000 0.000 0.342 462 Y C 0.502 176.299 175.900 -0.171 0.000 1.004 462 Y CA -1.128 56.946 58.100 -0.044 0.000 1.075 462 Y CB 1.324 39.790 38.460 0.011 0.000 1.214 462 Y HN 0.796 nan 8.280 nan 0.000 0.455 463 A N 2.205 125.014 122.820 -0.019 0.000 2.287 463 A HA 0.311 4.631 4.320 -0.000 0.000 0.273 463 A C -0.172 177.330 177.584 -0.138 0.000 1.091 463 A CA -0.735 51.206 52.037 -0.159 0.000 0.817 463 A CB 0.387 19.304 19.000 -0.138 0.000 1.069 463 A HN 0.801 nan 8.150 nan 0.000 0.492 464 Q N -0.259 119.450 119.800 -0.151 0.000 2.300 464 Q HA 0.367 4.707 4.340 -0.000 0.000 0.280 464 Q C 0.989 176.940 176.000 -0.081 0.000 1.033 464 Q CA 1.167 56.899 55.803 -0.119 0.000 0.903 464 Q CB 0.107 28.819 28.738 -0.043 0.000 1.195 464 Q HN 1.861 nan 8.270 nan 0.000 0.386 465 G N 2.096 110.843 108.800 -0.089 0.000 2.194 465 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.236 465 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.236 465 G C 0.160 175.060 174.900 0.001 0.000 0.987 465 G CA -0.060 45.019 45.100 -0.034 0.000 0.635 465 G HN 1.073 nan 8.290 nan 0.000 0.520 466 A N 0.254 123.074 122.820 0.000 0.000 2.462 466 A HA 0.665 4.985 4.320 -0.000 0.000 0.243 466 A C 0.335 178.016 177.584 0.161 0.000 1.076 466 A CA 0.403 52.498 52.037 0.095 0.000 0.773 466 A CB 0.264 19.376 19.000 0.187 0.000 1.010 466 A HN 0.966 nan 8.150 nan 0.000 0.493 467 L N 2.777 124.102 121.223 0.169 0.000 2.322 467 L HA 0.699 5.039 4.340 -0.000 0.000 0.281 467 L C -0.146 176.814 176.870 0.151 0.000 1.014 467 L CA -0.757 54.190 54.840 0.178 0.000 0.815 467 L CB 1.730 43.858 42.059 0.113 0.000 1.247 467 L HN 0.680 nan 8.230 nan 0.000 0.421 468 V N -0.571 119.416 119.914 0.122 0.000 3.159 468 V HA 0.814 4.934 4.120 -0.000 0.000 0.308 468 V C -0.385 175.784 176.094 0.126 0.000 1.190 468 V CA -0.708 61.626 62.300 0.058 0.000 1.037 468 V CB 2.057 33.804 31.823 -0.126 0.000 1.060 468 V HN 0.751 nan 8.190 nan 0.000 0.437 469 S N 1.724 117.514 115.700 0.151 0.000 2.451 469 S HA 0.830 5.300 4.470 -0.000 0.000 0.301 469 S C -1.173 173.597 174.600 0.284 0.000 1.116 469 S CA -0.515 57.809 58.200 0.206 0.000 1.093 469 S CB 1.201 64.469 63.200 0.113 0.000 1.017 469 S HN 1.478 nan 8.310 nan 0.000 0.482 470 Y N 1.591 122.010 120.300 0.199 0.000 2.358 470 Y HA 0.300 4.850 4.550 -0.000 0.000 0.324 470 Y C -0.440 175.584 175.900 0.207 0.000 1.123 470 Y CA -0.394 57.751 58.100 0.075 0.000 1.067 470 Y CB 1.471 39.749 38.460 -0.304 0.000 1.230 470 Y HN 0.972 nan 8.280 nan 0.000 0.429 471 Q N 4.122 123.744 119.800 -0.297 0.000 2.463 471 Q HA -0.237 4.103 4.340 -0.000 0.000 0.299 471 Q C 1.071 176.971 176.000 -0.167 0.000 1.353 471 Q CA 1.278 56.959 55.803 -0.204 0.000 0.828 471 Q CB -1.551 27.127 28.738 -0.101 0.000 1.157 471 Q HN 1.453 nan 8.270 nan 0.000 0.436 472 G N -2.125 106.555 108.800 -0.199 0.000 2.212 472 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.266 472 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.266 472 G C -0.271 174.358 174.900 -0.453 0.000 0.978 472 G CA 0.714 45.597 45.100 -0.363 0.000 0.632 472 G HN 0.408 nan 8.290 nan 0.000 0.537 473 Y N -1.083 119.219 120.300 0.003 0.000 2.587 473 Y HA 0.676 5.226 4.550 -0.000 0.000 0.337 473 Y C 0.352 176.153 175.900 -0.165 0.000 1.065 473 Y CA -1.269 56.714 58.100 -0.195 0.000 1.126 473 Y CB 2.017 40.169 38.460 -0.514 0.000 1.279 473 Y HN 0.070 nan 8.280 nan 0.000 0.489 474 V N 1.682 121.526 119.914 -0.116 0.000 2.370 474 V HA 0.287 4.407 4.120 -0.000 0.000 0.283 474 V C -1.213 174.761 176.094 -0.200 0.000 1.023 474 V CA -0.924 61.352 62.300 -0.039 0.000 0.857 474 V CB 0.275 32.088 31.823 -0.016 0.000 0.985 474 V HN 0.639 nan 8.190 nan 0.000 0.443 475 W N 2.930 124.204 121.300 -0.042 0.000 2.627 475 W HA 0.734 5.394 4.660 -0.000 0.000 0.339 475 W C -0.011 176.605 176.519 0.160 0.000 1.058 475 W CA -0.613 56.726 57.345 -0.010 0.000 1.223 475 W CB 1.180 30.519 29.460 -0.202 0.000 1.389 475 W HN 0.442 nan 8.180 nan 0.000 0.541 476 Q N 1.279 121.348 119.800 0.448 0.000 2.356 476 Q HA 0.461 4.801 4.340 -0.000 0.000 0.270 476 Q C -0.208 175.886 176.000 0.155 0.000 1.058 476 Q CA -0.602 55.380 55.803 0.300 0.000 0.802 476 Q CB 1.894 30.699 28.738 0.112 0.000 1.303 476 Q HN 0.568 nan 8.270 nan 0.000 0.444 477 T N 0.581 115.017 114.554 -0.197 0.000 2.918 477 T HA 0.261 4.611 4.350 -0.000 0.000 0.302 477 T C 0.480 174.952 174.700 -0.380 0.000 1.045 477 T CA -0.401 61.324 62.100 -0.626 0.000 1.114 477 T CB 1.068 69.412 68.868 -0.872 0.000 0.965 477 T HN 0.709 nan 8.240 nan 0.000 0.540 478 K N 1.029 121.117 120.400 -0.520 0.000 2.356 478 K HA 0.229 4.549 4.320 -0.000 0.000 0.195 478 K C -0.169 176.429 176.600 -0.003 0.000 1.037 478 K CA -0.034 56.108 56.287 -0.240 0.000 1.014 478 K CB 0.248 32.620 32.500 -0.213 0.000 0.815 478 K HN 0.844 nan 8.250 nan 0.000 0.507 479 W N -1.245 119.982 121.300 -0.123 0.000 2.923 479 W HA 0.598 5.258 4.660 -0.000 0.000 0.373 479 W C -0.455 175.989 176.519 -0.126 0.000 1.205 479 W CA -1.487 55.803 57.345 -0.092 0.000 1.180 479 W CB -0.141 29.286 29.460 -0.055 0.000 1.477 479 W HN -0.168 nan 8.180 nan 0.000 0.581 480 G N -0.739 108.204 108.800 0.239 0.000 2.528 480 G HA2 0.463 4.423 3.960 -0.000 0.000 0.289 480 G HA3 0.463 4.423 3.960 -0.000 0.000 0.289 480 G C -1.165 173.832 174.900 0.162 0.000 1.192 480 G CA -0.627 44.478 45.100 0.009 0.000 0.921 480 G HN 1.059 nan 8.290 nan 0.000 0.512 481 Y N -2.295 118.039 120.300 0.057 0.000 3.305 481 Y HA -0.163 4.387 4.550 -0.000 0.000 0.209 481 Y C 0.503 176.434 175.900 0.052 0.000 1.354 481 Y CA -0.442 57.690 58.100 0.054 0.000 1.392 481 Y CB -1.845 36.654 38.460 0.064 0.000 1.446 481 Y HN 0.237 nan 8.280 nan 0.000 0.553 482 I N 1.080 121.687 120.570 0.062 0.000 2.452 482 I HA 0.079 4.249 4.170 -0.000 0.000 0.287 482 I C 1.432 177.656 176.117 0.178 0.000 1.079 482 I CA 0.657 61.961 61.300 0.006 0.000 1.387 482 I CB 0.970 38.753 38.000 -0.363 0.000 1.404 482 I HN 0.441 nan 8.210 nan 0.000 0.522 483 T N 0.516 115.180 114.554 0.183 0.000 3.040 483 T HA 0.204 4.554 4.350 -0.000 0.000 0.266 483 T C 0.732 175.582 174.700 0.250 0.000 1.005 483 T CA -0.226 61.998 62.100 0.207 0.000 0.906 483 T CB 0.428 69.380 68.868 0.140 0.000 1.082 483 T HN 0.417 nan 8.240 nan 0.000 0.531 484 S N 0.185 116.046 115.700 0.269 0.000 2.806 484 S HA 0.839 5.308 4.470 -0.000 0.000 0.315 484 S C -0.582 174.130 174.600 0.187 0.000 1.127 484 S CA -0.473 57.859 58.200 0.220 0.000 0.918 484 S CB 1.289 64.549 63.200 0.101 0.000 1.240 484 S HN 0.650 nan 8.310 nan 0.000 0.552 485 A N 1.841 124.517 122.820 -0.240 0.000 2.302 485 A HA 0.701 5.021 4.320 -0.000 0.000 0.285 485 A C -2.731 174.176 177.584 -1.127 0.000 1.105 485 A CA -1.586 49.791 52.037 -1.101 0.000 0.816 485 A CB -0.342 17.966 19.000 -1.153 0.000 1.067 485 A HN 0.530 nan 8.150 nan 0.000 0.489 486 P HA 0.253 nan 4.420 nan 0.000 0.266 486 P C 1.071 177.614 177.300 -1.261 0.000 1.195 486 P CA 1.997 63.929 63.100 -1.947 0.000 0.768 486 P CB 0.724 30.656 31.700 -2.946 0.000 0.838 487 G N 1.999 110.279 108.800 -0.867 0.000 2.267 487 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 487 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 487 G C 0.811 175.593 174.900 -0.196 0.000 0.998 487 G CA 0.485 45.360 45.100 -0.375 0.000 0.620 487 G HN 0.513 nan 8.290 nan 0.000 0.529 488 S N 0.260 115.810 115.700 -0.251 0.000 2.846 488 S HA 0.434 4.904 4.470 -0.000 0.000 0.249 488 S C -0.622 173.941 174.600 -0.063 0.000 1.028 488 S CA 0.329 58.454 58.200 -0.126 0.000 1.043 488 S CB 0.838 63.955 63.200 -0.138 0.000 0.990 488 S HN 0.574 nan 8.310 nan 0.000 0.564 489 D N 0.211 120.592 120.400 -0.031 0.000 2.548 489 D HA 0.197 4.837 4.640 -0.000 0.000 0.214 489 D C 0.136 176.473 176.300 0.061 0.000 1.345 489 D CA -0.185 53.848 54.000 0.055 0.000 0.945 489 D CB 1.314 42.184 40.800 0.116 0.000 1.499 489 D HN -0.152 nan 8.370 nan 0.000 0.579 490 S N 1.393 117.134 115.700 0.068 0.000 2.571 490 S HA -0.083 4.387 4.470 -0.000 0.000 0.245 490 S C 1.732 176.264 174.600 -0.114 0.000 0.976 490 S CA 0.903 59.147 58.200 0.074 0.000 0.954 490 S CB 0.111 63.419 63.200 0.179 0.000 0.756 490 S HN 0.580 nan 8.310 nan 0.000 0.535 491 A N -0.099 122.502 122.820 -0.365 0.000 2.167 491 A HA 0.100 4.420 4.320 -0.000 0.000 0.214 491 A C 0.270 177.331 177.584 -0.871 0.000 1.151 491 A CA 0.049 51.403 52.037 -1.139 0.000 0.735 491 A CB -0.166 18.122 19.000 -1.186 0.000 0.802 491 A HN 0.559 nan 8.150 nan 0.000 0.467 492 W N -1.173 119.917 121.300 -0.349 0.000 2.496 492 W HA 0.579 5.239 4.660 -0.000 0.000 0.327 492 W C -0.467 176.067 176.519 0.025 0.000 1.086 492 W CA -0.844 56.398 57.345 -0.171 0.000 1.222 492 W CB 1.200 30.534 29.460 -0.210 0.000 1.304 492 W HN 0.063 nan 8.180 nan 0.000 0.547 493 L N 3.863 125.299 121.223 0.355 0.000 2.356 493 L HA 0.418 4.758 4.340 -0.000 0.000 0.277 493 L C -0.152 176.771 176.870 0.088 0.000 0.996 493 L CA -1.097 53.854 54.840 0.185 0.000 0.822 493 L CB 1.202 43.290 42.059 0.048 0.000 1.256 493 L HN 0.309 nan 8.230 nan 0.000 0.413 494 K N 3.837 124.091 120.400 -0.243 0.000 2.378 494 K HA 0.261 4.581 4.320 -0.000 0.000 0.288 494 K C 0.472 176.797 176.600 -0.459 0.000 1.057 494 K CA 0.322 56.130 56.287 -0.797 0.000 0.971 494 K CB 0.579 32.354 32.500 -1.208 0.000 0.975 494 K HN 0.690 nan 8.250 nan 0.000 0.475 495 V N 0.706 120.413 119.914 -0.346 0.000 3.548 495 V HA 0.433 4.553 4.120 -0.000 0.000 0.279 495 V C 0.473 176.462 176.094 -0.175 0.000 1.446 495 V CA 0.354 62.529 62.300 -0.209 0.000 1.023 495 V CB 0.521 32.280 31.823 -0.106 0.000 0.820 495 V HN 0.691 nan 8.190 nan 0.000 0.438 496 G N 0.840 109.525 108.800 -0.193 0.000 2.721 496 G HA2 0.745 4.705 3.960 -0.000 0.000 0.296 496 G HA3 0.745 4.705 3.960 -0.000 0.000 0.296 496 G C -1.332 173.530 174.900 -0.064 0.000 1.383 496 G CA -0.702 44.333 45.100 -0.108 0.000 0.788 496 G HN 0.657 nan 8.290 nan 0.000 0.500 497 R N -1.313 119.172 120.500 -0.024 0.000 2.836 497 R HA 0.775 5.115 4.340 -0.000 0.000 0.269 497 R C 0.411 176.685 176.300 -0.044 0.000 1.010 497 R CA -0.220 55.877 56.100 -0.004 0.000 0.930 497 R CB 1.087 31.402 30.300 0.025 0.000 1.218 497 R HN 0.996 nan 8.270 nan 0.000 0.473 498 V N -1.869 117.993 119.914 -0.087 0.000 0.690 498 V HA -0.331 3.789 4.120 -0.000 0.000 0.092 498 V C 0.654 176.722 176.094 -0.044 0.000 0.778 498 V CA 2.947 65.201 62.300 -0.078 0.000 3.099 498 V CB -2.011 29.771 31.823 -0.069 0.000 0.188 498 V HN 1.430 nan 8.190 nan 0.000 0.082 499 R N 0.000 120.480 120.500 -0.033 0.000 2.786 499 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 499 R CA 0.000 56.089 56.100 -0.019 0.000 0.921 499 R CB 0.000 nan 30.300 nan 0.000 0.687 499 R HN 0.000 nan 8.270 nan 0.000 0.535