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 1nq9_1_I DATA FIRST_RESID 6 DATA SEQUENCE DIcTAKPRDI PMNPMcIYRS PXXXXXXXXX XXXKIPEATN RRVWELSKAN DATA SEQUENCE SRFATTFYQH LADSKNDNDN IFLSPLSIST AFAMTKLGAc NDTLQQLMEV DATA SEQUENCE FKFDTISEKT SDQIHFFFAK LNcRLYRKXX XSSKLVSANR LFGDKSLTFN DATA SEQUENCE ETYQDISELV YGAKLQPLDF KENAEQSRAA INKWVSNKTE GRITDVIPSE DATA SEQUENCE AINELTVLVL VNTIYFKGLW KSKFSPENTR KELFYKADGE ScSASMMYQE DATA SEQUENCE GKFRYRRVAE GTQVLELPFK GDDITMVLIL PKPEKSLAKV EKELTPEVLQ DATA SEQUENCE EWLDELEEMM LVVHMPRFRI EDGFSLKEQL QDMGLVDLFS PEKSKLPGIV DATA SEQUENCE XXXXXDLYVS DAFHKAFLEV NEEGSEAAAS TAVVIAGRSL NPNRVTFKAN DATA SEQUENCE RPFLVFIREV PLNTIIFMGR VANPcV 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.318 176.300 0.030 0.000 2.045 6 D CA 0.000 54.011 54.000 0.017 0.000 0.868 6 D CB 0.000 40.810 40.800 0.016 0.000 0.688 7 I N -0.801 119.786 120.570 0.028 0.000 2.657 7 I HA -0.106 4.068 4.170 0.006 0.000 0.261 7 I C 2.299 178.403 176.117 -0.022 0.000 1.212 7 I CA 0.524 61.850 61.300 0.044 0.000 1.453 7 I CB -1.594 36.401 38.000 -0.009 0.000 1.092 7 I HN 0.238 nan 8.210 nan 0.000 0.452 8 c N 1.204 119.788 118.600 -0.027 0.000 2.581 8 c HA -0.138 4.435 4.570 0.006 0.000 0.287 8 c C 2.760 176.852 174.090 0.003 0.000 1.241 8 c CA 1.707 58.013 56.329 -0.039 0.000 1.747 8 c CB -1.529 40.968 42.510 -0.022 0.000 2.090 8 c HN 0.679 nan 8.230 nan 0.000 0.460 9 T N -0.416 114.152 114.554 0.023 0.000 3.400 9 T HA 0.400 4.754 4.350 0.006 0.000 0.254 9 T C 0.190 174.929 174.700 0.064 0.000 1.153 9 T CA 0.597 62.720 62.100 0.039 0.000 1.012 9 T CB -0.488 68.397 68.868 0.027 0.000 0.994 9 T HN 0.556 nan 8.240 nan 0.000 0.555 10 A N 0.250 123.135 122.820 0.108 0.000 2.269 10 A HA 0.883 5.207 4.320 0.006 0.000 0.327 10 A C 0.230 177.952 177.584 0.231 0.000 1.112 10 A CA -0.702 51.421 52.037 0.143 0.000 0.865 10 A CB 0.888 19.987 19.000 0.165 0.000 1.227 10 A HN 0.754 nan 8.150 nan 0.000 0.498 11 K N 0.165 120.620 120.400 0.091 0.000 2.340 11 K HA 0.712 5.036 4.320 0.006 0.000 0.244 11 K C -2.617 173.734 176.600 -0.416 0.000 0.973 11 K CA -1.513 54.772 56.287 -0.005 0.000 0.828 11 K CB 0.334 32.825 32.500 -0.015 0.000 1.226 11 K HN 0.424 nan 8.250 nan 0.000 0.437 12 P HA -0.223 nan 4.420 nan 0.000 0.214 12 P C 0.942 177.923 177.300 -0.531 0.000 1.169 12 P CA 1.325 63.855 63.100 -0.950 0.000 0.908 12 P CB 0.230 31.612 31.700 -0.529 0.000 0.791 13 R N -0.751 119.577 120.500 -0.285 0.000 2.341 13 R HA -0.097 4.247 4.340 0.006 0.000 0.213 13 R C 1.500 177.705 176.300 -0.160 0.000 1.082 13 R CA 0.799 56.791 56.100 -0.180 0.000 1.017 13 R CB -0.819 29.418 30.300 -0.105 0.000 0.860 13 R HN 0.336 nan 8.270 nan 0.000 0.473 14 D N 0.982 121.268 120.400 -0.190 0.000 2.127 14 D HA -0.133 4.511 4.640 0.006 0.000 0.206 14 D C 1.019 177.246 176.300 -0.121 0.000 0.989 14 D CA 1.667 55.591 54.000 -0.127 0.000 0.877 14 D CB -0.126 40.610 40.800 -0.107 0.000 1.042 14 D HN 0.123 nan 8.370 nan 0.000 0.455 15 I N 1.947 122.427 120.570 -0.150 0.000 2.276 15 I HA 0.312 4.486 4.170 0.006 0.000 0.290 15 I C -2.212 173.824 176.117 -0.135 0.000 1.109 15 I CA -1.762 59.473 61.300 -0.108 0.000 1.229 15 I CB -0.323 37.638 38.000 -0.064 0.000 1.452 15 I HN -0.124 nan 8.210 nan 0.000 0.497 16 P HA 0.420 nan 4.420 nan 0.000 0.258 16 P C -0.009 177.256 177.300 -0.058 0.000 1.187 16 P CA 0.716 63.760 63.100 -0.092 0.000 0.767 16 P CB 0.411 32.073 31.700 -0.063 0.000 0.770 17 M N 1.795 121.369 119.600 -0.042 0.000 2.031 17 M HA 0.432 4.916 4.480 0.006 0.000 0.273 17 M C -0.941 175.394 176.300 0.058 0.000 0.904 17 M CA -0.618 54.697 55.300 0.025 0.000 0.963 17 M CB 0.273 32.962 32.600 0.149 0.000 1.707 17 M HN 0.141 nan 8.290 nan 0.000 0.427 18 N N 3.901 122.608 118.700 0.012 0.000 2.342 18 N HA 0.827 5.571 4.740 0.006 0.000 0.293 18 N C -2.688 172.821 175.510 -0.001 0.000 1.026 18 N CA -1.256 51.809 53.050 0.025 0.000 0.857 18 N CB 2.303 40.798 38.487 0.014 0.000 1.256 18 N HN 0.646 nan 8.380 nan 0.000 0.484 19 P HA -0.015 nan 4.420 nan 0.000 0.267 19 P C 0.633 177.941 177.300 0.014 0.000 1.205 19 P CA -0.151 62.945 63.100 -0.007 0.000 0.765 19 P CB 0.885 32.594 31.700 0.015 0.000 0.828 20 M N 2.551 122.158 119.600 0.011 0.000 2.143 20 M HA -0.148 4.336 4.480 0.006 0.000 0.258 20 M C -0.203 176.111 176.300 0.023 0.000 1.071 20 M CA 1.894 57.203 55.300 0.015 0.000 1.088 20 M CB 0.001 32.608 32.600 0.012 0.000 1.360 20 M HN 0.285 nan 8.290 nan 0.000 0.404 21 c N 0.908 119.527 118.600 0.032 0.000 2.498 21 c HA 0.633 5.207 4.570 0.006 0.000 0.316 21 c C 0.081 174.215 174.090 0.072 0.000 1.209 21 c CA -1.597 54.761 56.329 0.049 0.000 1.518 21 c CB 0.905 43.447 42.510 0.052 0.000 2.147 21 c HN 0.522 nan 8.230 nan 0.000 0.483 22 I N 0.041 120.660 120.570 0.081 0.000 2.863 22 I HA 0.728 4.902 4.170 0.006 0.000 0.311 22 I C -1.243 174.968 176.117 0.157 0.000 1.026 22 I CA -0.761 60.604 61.300 0.108 0.000 1.077 22 I CB 1.700 39.742 38.000 0.071 0.000 1.262 22 I HN 0.709 nan 8.210 nan 0.000 0.461 23 Y N 3.292 123.621 120.300 0.049 0.000 2.338 23 Y HA 0.607 5.161 4.550 0.006 0.000 0.333 23 Y C -1.129 174.801 175.900 0.051 0.000 0.968 23 Y CA -0.785 57.347 58.100 0.052 0.000 1.123 23 Y CB 1.152 39.653 38.460 0.069 0.000 1.165 23 Y HN 0.519 nan 8.280 nan 0.000 0.452 24 R N 3.823 123.940 120.500 -0.639 0.000 2.437 24 R HA 0.351 4.695 4.340 0.006 0.000 0.310 24 R C -0.777 175.097 176.300 -0.710 0.000 0.955 24 R CA -0.774 55.046 56.100 -0.467 0.000 0.851 24 R CB 1.425 31.590 30.300 -0.224 0.000 1.161 24 R HN 0.807 nan 8.270 nan 0.000 0.446 25 S N 2.783 118.241 115.700 -0.404 0.000 2.523 25 S HA 0.507 4.980 4.470 0.006 0.000 0.275 25 S C -1.523 173.020 174.600 -0.094 0.000 1.281 25 S CA -0.962 57.123 58.200 -0.192 0.000 1.050 25 S CB 0.366 63.619 63.200 0.089 0.000 0.937 25 S HN 0.330 nan 8.310 nan 0.000 0.492 40 I N 1.967 121.972 120.570 -0.942 0.000 3.075 40 I HA 0.048 4.222 4.170 0.006 0.000 0.320 40 I C -1.905 173.855 176.117 -0.595 0.000 1.211 40 I CA -0.516 60.093 61.300 -1.152 0.000 1.463 40 I CB 0.901 38.425 38.000 -0.793 0.000 1.308 40 I HN 0.614 nan 8.210 nan 0.000 0.553 41 P HA 0.081 nan 4.420 nan 0.000 0.274 41 P C -0.795 176.405 177.300 -0.167 0.000 1.237 41 P CA -0.413 62.552 63.100 -0.225 0.000 0.793 41 P CB 0.440 32.069 31.700 -0.117 0.000 0.977 42 E N 1.905 122.046 120.200 -0.098 0.000 2.442 42 E HA 0.061 4.415 4.350 0.006 0.000 0.260 42 E C 0.037 176.606 176.600 -0.053 0.000 1.148 42 E CA 0.341 56.699 56.400 -0.070 0.000 0.976 42 E CB 0.068 29.742 29.700 -0.042 0.000 0.967 42 E HN 0.600 nan 8.360 nan 0.000 0.454 43 A N 2.552 125.348 122.820 -0.041 0.000 2.550 43 A HA -0.188 4.136 4.320 0.006 0.000 0.298 43 A C -0.124 177.449 177.584 -0.019 0.000 1.485 43 A CA 1.665 53.688 52.037 -0.023 0.000 0.780 43 A CB -1.871 17.124 19.000 -0.009 0.000 1.045 43 A HN 0.457 nan 8.150 nan 0.000 0.423 44 T N 0.626 115.156 114.554 -0.040 0.000 2.893 44 T HA 0.418 4.772 4.350 0.006 0.000 0.293 44 T C -0.132 174.554 174.700 -0.024 0.000 1.027 44 T CA -0.598 61.486 62.100 -0.026 0.000 0.988 44 T CB 1.174 70.016 68.868 -0.045 0.000 1.043 44 T HN 0.526 nan 8.240 nan 0.000 0.461 45 N N 1.733 120.442 118.700 0.015 0.000 2.405 45 N HA 0.102 4.846 4.740 0.006 0.000 0.260 45 N C 1.445 176.970 175.510 0.024 0.000 1.152 45 N CA -0.084 52.981 53.050 0.024 0.000 0.948 45 N CB 0.977 39.502 38.487 0.062 0.000 1.111 45 N HN 0.765 nan 8.380 nan 0.000 0.485 46 R N 4.200 124.699 120.500 -0.002 0.000 2.261 46 R HA -0.137 4.206 4.340 0.006 0.000 0.236 46 R C 1.865 178.184 176.300 0.032 0.000 1.141 46 R CA 1.255 57.376 56.100 0.035 0.000 1.001 46 R CB -0.782 29.515 30.300 -0.005 0.000 0.866 46 R HN 0.621 nan 8.270 nan 0.000 0.468 47 R N -0.196 120.233 120.500 -0.118 0.000 2.055 47 R HA 0.016 4.360 4.340 0.006 0.000 0.228 47 R C 2.394 178.505 176.300 -0.316 0.000 1.143 47 R CA 1.370 57.231 56.100 -0.399 0.000 0.945 47 R CB -1.033 28.714 30.300 -0.922 0.000 0.841 47 R HN 0.341 nan 8.270 nan 0.000 0.429 48 V N 0.288 120.102 119.914 -0.166 0.000 2.546 48 V HA -0.252 3.872 4.120 0.006 0.000 0.254 48 V C 1.977 178.065 176.094 -0.010 0.000 1.076 48 V CA 1.715 63.973 62.300 -0.070 0.000 1.087 48 V CB -0.524 31.314 31.823 0.025 0.000 0.674 48 V HN 0.411 nan 8.190 nan 0.000 0.470 49 W N 1.440 122.661 121.300 -0.132 0.000 2.408 49 W HA -0.163 4.500 4.660 0.006 0.000 0.311 49 W C 2.643 179.105 176.519 -0.095 0.000 1.190 49 W CA 1.793 59.084 57.345 -0.091 0.000 1.321 49 W CB -0.291 29.127 29.460 -0.070 0.000 1.143 49 W HN 0.515 nan 8.180 nan 0.000 0.501 50 E N -0.074 120.046 120.200 -0.133 0.000 2.153 50 E HA -0.268 4.086 4.350 0.006 0.000 0.194 50 E C 2.062 178.489 176.600 -0.289 0.000 0.988 50 E CA 1.550 57.768 56.400 -0.304 0.000 0.811 50 E CB -1.024 28.591 29.700 -0.140 0.000 0.746 50 E HN 0.371 nan 8.360 nan 0.000 0.466 51 L N 1.503 122.567 121.223 -0.265 0.000 2.027 51 L HA -0.113 4.231 4.340 0.006 0.000 0.206 51 L C 2.630 179.365 176.870 -0.226 0.000 1.074 51 L CA 2.066 56.734 54.840 -0.286 0.000 0.745 51 L CB -0.729 41.070 42.059 -0.433 0.000 0.898 51 L HN 0.199 nan 8.230 nan 0.000 0.433 52 S N -0.973 114.596 115.700 -0.218 0.000 2.370 52 S HA -0.238 4.236 4.470 0.006 0.000 0.226 52 S C 2.225 176.733 174.600 -0.154 0.000 1.033 52 S CA 1.624 59.742 58.200 -0.138 0.000 1.011 52 S CB -0.193 62.944 63.200 -0.104 0.000 0.852 52 S HN 0.440 nan 8.310 nan 0.000 0.457 53 K N 0.759 120.967 120.400 -0.321 0.000 2.209 53 K HA 0.189 4.513 4.320 0.006 0.000 0.204 53 K C 2.356 178.873 176.600 -0.138 0.000 1.048 53 K CA 0.950 57.049 56.287 -0.314 0.000 0.940 53 K CB -1.071 31.086 32.500 -0.571 0.000 0.729 53 K HN 0.615 nan 8.250 nan 0.000 0.451 54 A N 1.234 124.006 122.820 -0.081 0.000 1.930 54 A HA -0.136 4.188 4.320 0.006 0.000 0.215 54 A C 2.109 179.791 177.584 0.163 0.000 1.176 54 A CA 1.753 53.823 52.037 0.054 0.000 0.632 54 A CB -0.745 18.323 19.000 0.113 0.000 0.819 54 A HN 0.558 nan 8.150 nan 0.000 0.445 55 N N 0.281 119.088 118.700 0.179 0.000 2.149 55 N HA -0.142 4.602 4.740 0.006 0.000 0.188 55 N C 1.731 177.395 175.510 0.257 0.000 1.019 55 N CA 2.074 55.299 53.050 0.292 0.000 0.857 55 N CB -0.296 38.349 38.487 0.263 0.000 0.997 55 N HN 0.286 nan 8.380 nan 0.000 0.426 56 S N -0.088 115.692 115.700 0.134 0.000 2.382 56 S HA -0.011 4.463 4.470 0.006 0.000 0.228 56 S C 1.732 176.387 174.600 0.092 0.000 1.027 56 S CA 0.764 59.023 58.200 0.097 0.000 0.991 56 S CB -0.174 63.039 63.200 0.022 0.000 0.823 56 S HN 0.436 nan 8.310 nan 0.000 0.469 57 R N -0.378 120.174 120.500 0.088 0.000 2.189 57 R HA -0.013 4.331 4.340 0.006 0.000 0.223 57 R C 1.910 178.275 176.300 0.109 0.000 1.092 57 R CA 1.043 57.186 56.100 0.071 0.000 0.989 57 R CB -0.351 29.982 30.300 0.056 0.000 0.876 57 R HN 0.490 nan 8.270 nan 0.000 0.457 58 F N 1.401 121.367 119.950 0.027 0.000 2.387 58 F HA 0.180 4.711 4.527 0.006 0.000 0.294 58 F C 2.208 178.053 175.800 0.076 0.000 1.093 58 F CA 0.457 58.457 58.000 -0.001 0.000 1.420 58 F CB -0.164 38.826 39.000 -0.017 0.000 1.086 58 F HN -0.082 nan 8.300 nan 0.000 0.531 59 A N 0.590 123.411 122.820 0.003 0.000 1.851 59 A HA -0.239 4.085 4.320 0.006 0.000 0.216 59 A C 2.305 179.902 177.584 0.020 0.000 1.195 59 A CA 3.018 55.052 52.037 -0.006 0.000 0.622 59 A CB -1.689 17.395 19.000 0.140 0.000 0.831 59 A HN 0.518 nan 8.150 nan 0.000 0.444 60 T N -3.546 111.044 114.554 0.059 0.000 2.746 60 T HA -0.166 4.188 4.350 0.006 0.000 0.267 60 T C 1.910 176.651 174.700 0.067 0.000 1.039 60 T CA 2.202 64.359 62.100 0.095 0.000 1.142 60 T CB -1.099 67.809 68.868 0.067 0.000 0.866 60 T HN 0.426 nan 8.240 nan 0.000 0.444 61 T N 0.387 114.932 114.554 -0.015 0.000 2.777 61 T HA -0.040 4.314 4.350 0.006 0.000 0.266 61 T C 1.435 176.089 174.700 -0.076 0.000 1.040 61 T CA 1.141 63.231 62.100 -0.016 0.000 1.141 61 T CB -0.695 68.135 68.868 -0.062 0.000 0.868 61 T HN 0.435 nan 8.240 nan 0.000 0.444 62 F N 0.014 119.693 119.950 -0.451 0.000 2.206 62 F HA 0.063 4.593 4.527 0.006 0.000 0.298 62 F C 1.923 177.603 175.800 -0.201 0.000 1.090 62 F CA 0.986 58.680 58.000 -0.509 0.000 1.323 62 F CB -0.415 37.962 39.000 -1.039 0.000 1.028 62 F HN 0.301 nan 8.300 nan 0.000 0.492 63 Y N 1.135 121.350 120.300 -0.141 0.000 2.242 63 Y HA -0.187 4.367 4.550 0.007 0.000 0.291 63 Y C 2.412 178.216 175.900 -0.161 0.000 1.137 63 Y CA 1.929 59.951 58.100 -0.131 0.000 1.181 63 Y CB -0.568 37.879 38.460 -0.022 0.000 0.989 63 Y HN 0.156 nan 8.280 nan 0.000 0.527 64 Q N -0.970 118.840 119.800 0.016 0.000 2.050 64 Q HA -0.245 4.098 4.340 0.006 0.000 0.202 64 Q C 1.966 177.842 176.000 -0.207 0.000 0.980 64 Q CA 2.024 57.799 55.803 -0.047 0.000 0.840 64 Q CB -0.338 28.417 28.738 0.028 0.000 0.898 64 Q HN 0.609 nan 8.270 nan 0.000 0.424 65 H N 0.051 118.927 119.070 -0.324 0.000 2.352 65 H HA -0.147 4.412 4.556 0.006 0.000 0.299 65 H C 1.782 176.850 175.328 -0.432 0.000 1.097 65 H CA 1.414 57.256 56.048 -0.343 0.000 1.311 65 H CB -0.187 29.358 29.762 -0.362 0.000 1.377 65 H HN 0.120 nan 8.280 nan 0.000 0.504 66 L N 0.398 121.317 121.223 -0.507 0.000 2.017 66 L HA -0.087 4.257 4.340 0.006 0.000 0.208 66 L C 2.336 178.912 176.870 -0.491 0.000 1.073 66 L CA 1.885 56.379 54.840 -0.576 0.000 0.745 66 L CB -1.062 40.538 42.059 -0.766 0.000 0.894 66 L HN 0.251 nan 8.230 nan 0.000 0.432 67 A N -0.776 121.689 122.820 -0.591 0.000 1.858 67 A HA -0.290 4.034 4.320 0.006 0.000 0.216 67 A C 2.116 179.540 177.584 -0.267 0.000 1.190 67 A CA 1.871 53.631 52.037 -0.461 0.000 0.617 67 A CB -1.171 17.545 19.000 -0.473 0.000 0.827 67 A HN 0.556 nan 8.150 nan 0.000 0.443 68 D N -0.248 120.008 120.400 -0.241 0.000 2.311 68 D HA -0.111 4.532 4.640 0.006 0.000 0.212 68 D C 1.801 178.005 176.300 -0.159 0.000 0.972 68 D CA 1.475 55.367 54.000 -0.179 0.000 0.887 68 D CB -0.001 40.678 40.800 -0.201 0.000 0.915 68 D HN 0.498 nan 8.370 nan 0.000 0.497 69 S N -1.956 113.636 115.700 -0.179 0.000 2.557 69 S HA 0.220 4.694 4.470 0.006 0.000 0.223 69 S C 0.524 175.048 174.600 -0.127 0.000 0.969 69 S CA -0.587 57.530 58.200 -0.139 0.000 0.927 69 S CB 0.352 63.471 63.200 -0.136 0.000 0.806 69 S HN -0.014 nan 8.310 nan 0.000 0.489 70 K N 1.297 121.612 120.400 -0.142 0.000 2.352 70 K HA 0.368 4.692 4.320 0.006 0.000 0.240 70 K C -0.865 175.683 176.600 -0.087 0.000 1.017 70 K CA -0.932 55.285 56.287 -0.118 0.000 0.851 70 K CB 0.758 33.168 32.500 -0.150 0.000 1.261 70 K HN 0.077 nan 8.250 nan 0.000 0.451 71 N N 1.413 120.073 118.700 -0.066 0.000 2.514 71 N HA -0.020 4.724 4.740 0.006 0.000 0.277 71 N C -0.243 175.242 175.510 -0.042 0.000 1.126 71 N CA 0.115 53.138 53.050 -0.046 0.000 0.978 71 N CB 1.014 39.481 38.487 -0.033 0.000 1.106 71 N HN 0.447 nan 8.380 nan 0.000 0.461 72 D N 1.706 122.089 120.400 -0.028 0.000 2.311 72 D HA -0.110 4.534 4.640 0.006 0.000 0.212 72 D C 0.561 176.858 176.300 -0.005 0.000 0.972 72 D CA 1.012 55.004 54.000 -0.014 0.000 0.887 72 D CB 0.112 40.913 40.800 0.003 0.000 0.915 72 D HN 0.552 nan 8.370 nan 0.000 0.497 73 N N 0.883 119.577 118.700 -0.010 0.000 2.336 73 N HA -0.026 4.718 4.740 0.006 0.000 0.189 73 N C -0.363 175.127 175.510 -0.033 0.000 1.113 73 N CA 0.216 53.261 53.050 -0.009 0.000 0.858 73 N CB 0.610 39.096 38.487 -0.002 0.000 0.970 73 N HN 0.146 nan 8.380 nan 0.000 0.471 74 D N 0.917 121.293 120.400 -0.041 0.000 2.175 74 D HA 0.216 4.860 4.640 0.006 0.000 0.248 74 D C 0.251 176.516 176.300 -0.058 0.000 1.047 74 D CA -0.222 53.748 54.000 -0.049 0.000 0.883 74 D CB 0.946 41.716 40.800 -0.050 0.000 1.180 74 D HN -0.079 nan 8.370 nan 0.000 0.438 75 N N 0.916 119.581 118.700 -0.058 0.000 2.381 75 N HA 0.440 5.184 4.740 0.006 0.000 0.254 75 N C -0.086 175.424 175.510 -0.001 0.000 1.264 75 N CA 0.003 53.021 53.050 -0.054 0.000 0.942 75 N CB 1.110 39.565 38.487 -0.053 0.000 1.190 75 N HN 0.365 nan 8.380 nan 0.000 0.495 76 I N -0.108 120.498 120.570 0.061 0.000 2.913 76 I HA 0.463 4.637 4.170 0.006 0.000 0.302 76 I C -1.461 174.859 176.117 0.338 0.000 1.246 76 I CA -0.713 60.661 61.300 0.123 0.000 1.010 76 I CB 2.291 40.331 38.000 0.066 0.000 1.259 76 I HN 0.276 nan 8.210 nan 0.000 0.434 77 F N 6.180 126.230 119.950 0.167 0.000 2.669 77 F HA 0.714 5.245 4.527 0.007 0.000 0.315 77 F C -1.878 174.174 175.800 0.419 0.000 1.109 77 F CA -0.634 57.526 58.000 0.268 0.000 1.028 77 F CB 1.463 40.613 39.000 0.249 0.000 1.287 77 F HN 0.380 nan 8.300 nan 0.000 0.452 78 L N 1.577 122.773 121.223 -0.045 0.000 2.838 78 L HA 0.764 5.108 4.340 0.006 0.000 0.266 78 L C -1.664 175.277 176.870 0.118 0.000 1.040 78 L CA -0.915 54.128 54.840 0.338 0.000 0.906 78 L CB 1.794 44.152 42.059 0.499 0.000 1.501 78 L HN 0.487 nan 8.230 nan 0.000 0.407 79 S N 1.024 116.862 115.700 0.231 0.000 2.601 79 S HA 0.549 5.023 4.470 0.006 0.000 0.312 79 S C -1.764 172.785 174.600 -0.086 0.000 1.107 79 S CA -1.450 56.752 58.200 0.003 0.000 1.129 79 S CB 1.004 64.231 63.200 0.045 0.000 0.982 79 S HN 0.647 nan 8.310 nan 0.000 0.469 80 P HA -0.093 nan 4.420 nan 0.000 0.219 80 P C 1.593 178.967 177.300 0.124 0.000 1.150 80 P CA 0.418 63.569 63.100 0.086 0.000 0.814 80 P CB 0.151 31.939 31.700 0.146 0.000 0.787 81 L N 0.493 121.747 121.223 0.052 0.000 1.994 81 L HA -0.099 4.245 4.340 0.006 0.000 0.208 81 L C 2.755 179.633 176.870 0.014 0.000 1.071 81 L CA 2.155 57.040 54.840 0.075 0.000 0.745 81 L CB -1.684 40.384 42.059 0.014 0.000 0.892 81 L HN -0.063 nan 8.230 nan 0.000 0.431 82 S N -0.652 115.037 115.700 -0.018 0.000 2.359 82 S HA -0.203 4.271 4.470 0.006 0.000 0.224 82 S C 2.069 176.684 174.600 0.025 0.000 1.035 82 S CA 1.860 60.078 58.200 0.030 0.000 1.018 82 S CB -0.490 62.795 63.200 0.141 0.000 0.876 82 S HN 0.488 nan 8.310 nan 0.000 0.448 83 I N 0.775 121.335 120.570 -0.017 0.000 2.394 83 I HA -0.110 4.064 4.170 0.006 0.000 0.251 83 I C 2.587 178.687 176.117 -0.028 0.000 1.136 83 I CA 0.964 62.269 61.300 0.008 0.000 1.425 83 I CB -0.373 37.556 38.000 -0.118 0.000 1.079 83 I HN 0.289 nan 8.210 nan 0.000 0.425 84 S N 0.079 115.713 115.700 -0.110 0.000 2.368 84 S HA -0.147 4.327 4.470 0.006 0.000 0.224 84 S C 2.058 176.278 174.600 -0.633 0.000 1.029 84 S CA 1.816 59.862 58.200 -0.258 0.000 0.988 84 S CB -0.198 63.052 63.200 0.083 0.000 0.838 84 S HN 0.450 nan 8.310 nan 0.000 0.462 85 T N 2.311 116.401 114.554 -0.773 0.000 2.746 85 T HA -0.024 4.330 4.350 0.006 0.000 0.267 85 T C 2.113 176.445 174.700 -0.614 0.000 1.039 85 T CA 1.166 62.655 62.100 -1.018 0.000 1.142 85 T CB -0.504 68.098 68.868 -0.444 0.000 0.866 85 T HN 0.437 nan 8.240 nan 0.000 0.444 86 A N 1.369 123.991 122.820 -0.329 0.000 1.851 86 A HA -0.054 4.270 4.320 0.006 0.000 0.216 86 A C 1.841 179.098 177.584 -0.545 0.000 1.195 86 A CA 1.501 53.317 52.037 -0.368 0.000 0.622 86 A CB -1.135 17.796 19.000 -0.114 0.000 0.831 86 A HN 0.485 nan 8.150 nan 0.000 0.444 87 F N 0.016 119.644 119.950 -0.537 0.000 2.771 87 F HA 0.117 4.648 4.527 0.006 0.000 0.299 87 F C 2.396 177.882 175.800 -0.524 0.000 1.177 87 F CA 0.469 58.093 58.000 -0.628 0.000 1.450 87 F CB -0.210 38.112 39.000 -1.130 0.000 1.114 87 F HN 0.270 nan 8.300 nan 0.000 0.587 88 A N -0.720 121.881 122.820 -0.366 0.000 1.975 88 A HA -0.046 4.278 4.320 0.006 0.000 0.215 88 A C 2.158 179.592 177.584 -0.250 0.000 1.170 88 A CA 0.722 52.617 52.037 -0.236 0.000 0.656 88 A CB -0.315 18.470 19.000 -0.360 0.000 0.821 88 A HN 0.127 nan 8.150 nan 0.000 0.449 89 M N 0.720 120.067 119.600 -0.422 0.000 2.460 89 M HA -0.076 4.408 4.480 0.006 0.000 0.263 89 M C 2.050 178.237 176.300 -0.189 0.000 1.071 89 M CA 1.916 56.974 55.300 -0.403 0.000 1.096 89 M CB -1.311 30.851 32.600 -0.731 0.000 1.408 89 M HN 0.699 nan 8.290 nan 0.000 0.463 90 T N -3.341 111.068 114.554 -0.242 0.000 3.040 90 T HA 0.026 4.380 4.350 0.006 0.000 0.252 90 T C 1.798 176.435 174.700 -0.104 0.000 1.064 90 T CA 0.239 62.224 62.100 -0.191 0.000 1.110 90 T CB 0.019 68.713 68.868 -0.290 0.000 0.921 90 T HN 0.111 nan 8.240 nan 0.000 0.480 91 K N 1.077 121.432 120.400 -0.075 0.000 2.211 91 K HA -0.052 4.272 4.320 0.006 0.000 0.204 91 K C 2.077 178.672 176.600 -0.009 0.000 1.047 91 K CA 0.846 57.130 56.287 -0.005 0.000 0.935 91 K CB -0.712 31.826 32.500 0.062 0.000 0.728 91 K HN 0.377 nan 8.250 nan 0.000 0.452 92 L N 0.747 121.951 121.223 -0.033 0.000 1.989 92 L HA -0.082 4.262 4.340 0.006 0.000 0.211 92 L C 2.038 178.912 176.870 0.007 0.000 1.071 92 L CA 2.516 57.322 54.840 -0.056 0.000 0.749 92 L CB -1.135 40.848 42.059 -0.127 0.000 0.890 92 L HN 0.274 nan 8.230 nan 0.000 0.431 93 G N -1.573 107.240 108.800 0.022 0.000 3.189 93 G HA2 0.397 4.360 3.960 0.006 0.000 0.225 93 G HA3 0.397 4.360 3.960 0.006 0.000 0.225 93 G C 0.479 175.344 174.900 -0.059 0.000 1.159 93 G CA 0.300 45.373 45.100 -0.046 0.000 0.763 93 G HN 0.636 nan 8.290 nan 0.000 0.549 94 A N -0.698 122.098 122.820 -0.039 0.000 2.351 94 A HA 0.613 4.937 4.320 0.006 0.000 0.257 94 A C -0.308 177.277 177.584 0.002 0.000 1.087 94 A CA -0.237 51.782 52.037 -0.029 0.000 0.798 94 A CB 0.742 19.728 19.000 -0.024 0.000 1.033 94 A HN 0.460 nan 8.150 nan 0.000 0.488 95 c N 1.271 119.875 118.600 0.007 0.000 3.170 95 c HA 0.631 5.205 4.570 0.006 0.000 0.319 95 c C 0.363 174.474 174.090 0.036 0.000 1.260 95 c CA -0.040 56.307 56.329 0.029 0.000 1.374 95 c CB 0.207 42.729 42.510 0.021 0.000 1.739 95 c HN 1.289 nan 8.230 nan 0.000 0.479 96 N N 1.623 120.359 118.700 0.060 0.000 1.210 96 N HA -0.204 4.540 4.740 0.006 0.000 0.127 96 N C 0.028 175.576 175.510 0.063 0.000 0.844 96 N CA 1.476 54.565 53.050 0.064 0.000 0.899 96 N CB -0.629 37.883 38.487 0.042 0.000 1.086 96 N HN 0.810 nan 8.380 nan 0.000 0.588 97 D N -0.713 119.714 120.400 0.045 0.000 2.218 97 D HA -0.030 4.613 4.640 0.006 0.000 0.204 97 D C 1.542 177.846 176.300 0.007 0.000 0.976 97 D CA 1.663 55.682 54.000 0.033 0.000 0.853 97 D CB -0.589 40.228 40.800 0.029 0.000 0.939 97 D HN 0.456 nan 8.370 nan 0.000 0.481 98 T N 0.718 115.274 114.554 0.002 0.000 2.821 98 T HA -0.103 4.251 4.350 0.006 0.000 0.267 98 T C 1.783 176.467 174.700 -0.027 0.000 1.046 98 T CA 0.434 62.523 62.100 -0.018 0.000 1.139 98 T CB -0.116 68.739 68.868 -0.023 0.000 0.871 98 T HN 0.060 nan 8.240 nan 0.000 0.454 99 L N 0.822 122.036 121.223 -0.016 0.000 2.131 99 L HA 0.134 4.478 4.340 0.006 0.000 0.206 99 L C 2.464 179.237 176.870 -0.162 0.000 1.087 99 L CA 1.600 56.420 54.840 -0.034 0.000 0.767 99 L CB -0.662 41.416 42.059 0.032 0.000 0.917 99 L HN 0.172 nan 8.230 nan 0.000 0.441 100 Q N -0.880 118.820 119.800 -0.167 0.000 2.016 100 Q HA -0.252 4.092 4.340 0.006 0.000 0.200 100 Q C 2.213 178.063 176.000 -0.250 0.000 0.978 100 Q CA 1.989 57.571 55.803 -0.368 0.000 0.833 100 Q CB -0.088 28.626 28.738 -0.040 0.000 0.895 100 Q HN 0.632 nan 8.270 nan 0.000 0.427 101 Q N 0.240 119.977 119.800 -0.105 0.000 2.096 101 Q HA -0.174 4.170 4.340 0.006 0.000 0.204 101 Q C 2.237 178.200 176.000 -0.062 0.000 0.982 101 Q CA 1.374 57.138 55.803 -0.065 0.000 0.850 101 Q CB -0.113 28.610 28.738 -0.024 0.000 0.901 101 Q HN 0.403 nan 8.270 nan 0.000 0.422 102 L N -0.170 121.030 121.223 -0.038 0.000 2.083 102 L HA -0.215 4.129 4.340 0.006 0.000 0.209 102 L C 2.270 179.146 176.870 0.010 0.000 1.083 102 L CA 0.750 55.620 54.840 0.050 0.000 0.752 102 L CB -0.099 41.986 42.059 0.044 0.000 0.899 102 L HN 0.393 nan 8.230 nan 0.000 0.433 103 M N -1.200 118.338 119.600 -0.104 0.000 2.156 103 M HA -0.148 4.336 4.480 0.006 0.000 0.264 103 M C 2.039 178.268 176.300 -0.117 0.000 1.067 103 M CA 1.541 56.786 55.300 -0.093 0.000 1.131 103 M CB -0.892 31.481 32.600 -0.380 0.000 1.368 103 M HN 0.250 nan 8.290 nan 0.000 0.416 104 E N -0.204 119.909 120.200 -0.144 0.000 2.072 104 E HA -0.089 4.265 4.350 0.006 0.000 0.190 104 E C 2.199 178.731 176.600 -0.113 0.000 0.982 104 E CA 0.820 57.169 56.400 -0.085 0.000 0.803 104 E CB 0.073 29.738 29.700 -0.058 0.000 0.755 104 E HN 0.184 nan 8.360 nan 0.000 0.453 105 V N 0.535 120.351 119.914 -0.163 0.000 2.343 105 V HA -0.207 3.917 4.120 0.006 0.000 0.247 105 V C 1.437 177.273 176.094 -0.429 0.000 1.051 105 V CA 1.568 63.701 62.300 -0.279 0.000 1.036 105 V CB -0.308 31.302 31.823 -0.353 0.000 0.654 105 V HN 0.209 nan 8.190 nan 0.000 0.451 106 F N 0.072 119.715 119.950 -0.512 0.000 2.692 106 F HA 0.276 4.806 4.527 0.006 0.000 0.303 106 F C 1.097 176.510 175.800 -0.644 0.000 1.114 106 F CA -0.283 57.180 58.000 -0.894 0.000 1.361 106 F CB -0.067 37.861 39.000 -1.787 0.000 1.063 106 F HN -0.020 nan 8.300 nan 0.000 0.550 107 K N -0.773 119.525 120.400 -0.170 0.000 3.071 107 K HA -0.235 4.089 4.320 0.006 0.000 0.265 107 K C 0.380 177.084 176.600 0.173 0.000 1.060 107 K CA 0.434 56.733 56.287 0.019 0.000 0.767 107 K CB -2.549 30.006 32.500 0.091 0.000 1.241 107 K HN 0.275 nan 8.250 nan 0.000 0.486 108 F N 0.983 120.986 119.950 0.089 0.000 2.416 108 F HA -0.031 4.500 4.527 0.006 0.000 0.296 108 F C 2.087 177.935 175.800 0.080 0.000 1.099 108 F CA 0.977 59.022 58.000 0.074 0.000 1.427 108 F CB -0.391 38.653 39.000 0.073 0.000 1.079 108 F HN 0.174 nan 8.300 nan 0.000 0.536 109 D N -0.362 120.196 120.400 0.263 0.000 2.392 109 D HA -0.121 4.523 4.640 0.006 0.000 0.228 109 D C 1.261 177.673 176.300 0.187 0.000 1.003 109 D CA 1.154 55.313 54.000 0.264 0.000 0.917 109 D CB -1.262 39.704 40.800 0.278 0.000 0.890 109 D HN 0.353 nan 8.370 nan 0.000 0.532 110 T N -1.784 112.859 114.554 0.149 0.000 3.186 110 T HA 0.320 4.674 4.350 0.006 0.000 0.257 110 T C 1.004 175.740 174.700 0.059 0.000 1.029 110 T CA -0.750 61.404 62.100 0.090 0.000 0.916 110 T CB -0.753 68.155 68.868 0.066 0.000 1.041 110 T HN 0.390 nan 8.240 nan 0.000 0.562 111 I N -1.591 119.022 120.570 0.070 0.000 3.170 111 I HA 0.788 4.962 4.170 0.006 0.000 0.312 111 I C 0.043 176.173 176.117 0.022 0.000 1.085 111 I CA -1.504 59.808 61.300 0.020 0.000 0.999 111 I CB 1.878 39.870 38.000 -0.014 0.000 1.233 111 I HN 0.057 nan 8.210 nan 0.000 0.467 112 S N 0.509 116.202 115.700 -0.010 0.000 2.593 112 S HA 0.185 4.659 4.470 0.006 0.000 0.269 112 S C 0.647 175.255 174.600 0.013 0.000 1.334 112 S CA -0.305 57.894 58.200 -0.003 0.000 1.015 112 S CB 1.132 64.318 63.200 -0.023 0.000 0.912 112 S HN 0.784 nan 8.310 nan 0.000 0.541 113 E N 0.782 120.997 120.200 0.025 0.000 2.051 113 E HA -0.177 4.177 4.350 0.006 0.000 0.192 113 E C 1.891 178.526 176.600 0.058 0.000 0.991 113 E CA 0.929 57.354 56.400 0.042 0.000 0.799 113 E CB -0.131 29.588 29.700 0.031 0.000 0.748 113 E HN 0.572 nan 8.360 nan 0.000 0.449 114 K N 0.758 121.190 120.400 0.052 0.000 2.026 114 K HA -0.119 4.205 4.320 0.006 0.000 0.208 114 K C 2.080 178.787 176.600 0.178 0.000 1.048 114 K CA 1.628 57.974 56.287 0.098 0.000 0.929 114 K CB -0.394 32.156 32.500 0.084 0.000 0.713 114 K HN 0.093 nan 8.250 nan 0.000 0.439 115 T N 0.372 114.958 114.554 0.054 0.000 2.821 115 T HA -0.107 4.247 4.350 0.006 0.000 0.267 115 T C 1.995 176.762 174.700 0.112 0.000 1.046 115 T CA 1.532 63.631 62.100 -0.002 0.000 1.139 115 T CB -0.265 68.406 68.868 -0.329 0.000 0.871 115 T HN 0.298 nan 8.240 nan 0.000 0.454 116 S N 1.474 117.211 115.700 0.061 0.000 2.348 116 S HA -0.180 4.294 4.470 0.006 0.000 0.221 116 S C 1.745 176.410 174.600 0.108 0.000 1.033 116 S CA 1.480 59.720 58.200 0.067 0.000 1.010 116 S CB -0.594 62.665 63.200 0.098 0.000 0.891 116 S HN 0.401 nan 8.310 nan 0.000 0.442 117 D N 0.718 121.194 120.400 0.126 0.000 2.218 117 D HA -0.033 4.611 4.640 0.006 0.000 0.204 117 D C 1.340 177.749 176.300 0.182 0.000 0.976 117 D CA 0.796 54.878 54.000 0.136 0.000 0.853 117 D CB -0.203 40.660 40.800 0.105 0.000 0.939 117 D HN 0.463 nan 8.370 nan 0.000 0.481 118 Q N 0.044 119.944 119.800 0.167 0.000 2.189 118 Q HA 0.158 4.501 4.340 0.006 0.000 0.221 118 Q C 1.692 177.675 176.000 -0.029 0.000 0.848 118 Q CA -0.405 55.396 55.803 -0.003 0.000 1.007 118 Q CB 0.599 29.273 28.738 -0.107 0.000 1.116 118 Q HN 0.252 nan 8.270 nan 0.000 0.481 119 I N 1.556 122.204 120.570 0.130 0.000 2.181 119 I HA -0.393 3.781 4.170 0.006 0.000 0.247 119 I C 2.197 178.369 176.117 0.091 0.000 1.081 119 I CA 2.210 63.537 61.300 0.046 0.000 1.340 119 I CB 0.031 37.965 38.000 -0.110 0.000 1.036 119 I HN 0.419 nan 8.210 nan 0.000 0.417 120 H N -2.247 116.861 119.070 0.063 0.000 2.357 120 H HA -0.172 4.387 4.556 0.006 0.000 0.301 120 H C 2.079 177.447 175.328 0.066 0.000 1.082 120 H CA 1.652 57.737 56.048 0.062 0.000 1.342 120 H CB -1.102 28.634 29.762 -0.043 0.000 1.389 120 H HN 0.386 nan 8.280 nan 0.000 0.511 121 F N 1.371 120.817 119.950 -0.841 0.000 2.113 121 F HA -0.069 4.462 4.527 0.007 0.000 0.297 121 F C 1.444 176.977 175.800 -0.445 0.000 1.103 121 F CA 0.914 58.525 58.000 -0.648 0.000 1.248 121 F CB -0.445 38.018 39.000 -0.894 0.000 0.999 121 F HN 0.073 nan 8.300 nan 0.000 0.475 122 F N -0.943 118.852 119.950 -0.259 0.000 2.451 122 F HA -0.106 4.425 4.527 0.006 0.000 0.299 122 F C 1.995 177.600 175.800 -0.325 0.000 1.101 122 F CA 0.794 58.605 58.000 -0.314 0.000 1.436 122 F CB -1.125 37.736 39.000 -0.232 0.000 1.074 122 F HN -0.028 nan 8.300 nan 0.000 0.553 123 F N -0.032 119.857 119.950 -0.101 0.000 2.187 123 F HA -0.019 4.512 4.527 0.006 0.000 0.295 123 F C 2.456 178.185 175.800 -0.118 0.000 1.091 123 F CA 0.929 58.881 58.000 -0.081 0.000 1.308 123 F CB -1.032 37.925 39.000 -0.072 0.000 1.030 123 F HN -0.078 nan 8.300 nan 0.000 0.487 124 A N -0.487 122.326 122.820 -0.011 0.000 1.940 124 A HA -0.200 4.123 4.320 0.006 0.000 0.219 124 A C 2.288 179.759 177.584 -0.189 0.000 1.176 124 A CA 1.938 53.910 52.037 -0.109 0.000 0.631 124 A CB -0.821 18.055 19.000 -0.207 0.000 0.814 124 A HN 0.201 nan 8.150 nan 0.000 0.446 125 K N -0.812 119.391 120.400 -0.329 0.000 2.001 125 K HA -0.066 4.258 4.320 0.006 0.000 0.208 125 K C 2.080 178.629 176.600 -0.086 0.000 1.048 125 K CA 1.327 57.463 56.287 -0.252 0.000 0.932 125 K CB -1.049 31.290 32.500 -0.268 0.000 0.715 125 K HN 0.517 nan 8.250 nan 0.000 0.437 126 L N 1.964 123.160 121.223 -0.044 0.000 1.971 126 L HA -0.169 4.175 4.340 0.006 0.000 0.215 126 L C 1.733 178.618 176.870 0.025 0.000 1.072 126 L CA 2.314 57.155 54.840 0.001 0.000 0.758 126 L CB -1.293 40.762 42.059 -0.007 0.000 0.889 126 L HN 0.345 nan 8.230 nan 0.000 0.433 127 N N -1.550 117.181 118.700 0.051 0.000 2.272 127 N HA -0.196 4.548 4.740 0.006 0.000 0.185 127 N C 1.892 177.406 175.510 0.006 0.000 1.014 127 N CA 1.531 54.604 53.050 0.039 0.000 0.870 127 N CB -0.457 38.062 38.487 0.053 0.000 0.975 127 N HN 0.452 nan 8.380 nan 0.000 0.433 128 c N 0.110 118.701 118.600 -0.016 0.000 2.442 128 c HA -0.043 4.531 4.570 0.006 0.000 0.279 128 c C 2.651 176.739 174.090 -0.004 0.000 1.237 128 c CA 0.477 56.793 56.329 -0.022 0.000 1.722 128 c CB -0.950 41.533 42.510 -0.046 0.000 2.056 128 c HN 0.491 nan 8.230 nan 0.000 0.469 129 R N 0.491 120.991 120.500 0.001 0.000 2.119 129 R HA -0.178 4.166 4.340 0.006 0.000 0.246 129 R C 1.947 178.262 176.300 0.026 0.000 1.146 129 R CA 1.796 57.906 56.100 0.016 0.000 0.962 129 R CB -0.328 29.986 30.300 0.023 0.000 0.863 129 R HN 0.536 nan 8.270 nan 0.000 0.442 130 L N -1.653 119.585 121.223 0.025 0.000 2.068 130 L HA -0.119 4.225 4.340 0.006 0.000 0.204 130 L C 2.357 179.246 176.870 0.031 0.000 1.076 130 L CA 0.782 55.640 54.840 0.031 0.000 0.753 130 L CB -0.741 41.331 42.059 0.021 0.000 0.910 130 L HN 0.059 nan 8.230 nan 0.000 0.439 131 Y N -0.132 120.178 120.300 0.018 0.000 2.751 131 Y HA -0.083 4.471 4.550 0.006 0.000 0.310 131 Y C 2.447 178.354 175.900 0.012 0.000 1.176 131 Y CA 0.522 58.629 58.100 0.012 0.000 1.360 131 Y CB -0.953 37.504 38.460 -0.005 0.000 0.999 131 Y HN 0.281 nan 8.280 nan 0.000 0.532 132 R N -0.305 120.207 120.500 0.020 0.000 2.369 132 R HA 0.141 4.485 4.340 0.006 0.000 0.210 132 R C 0.498 176.817 176.300 0.032 0.000 0.881 132 R CA 0.132 56.243 56.100 0.019 0.000 1.031 132 R CB 0.459 30.768 30.300 0.015 0.000 1.184 132 R HN 0.279 nan 8.270 nan 0.000 0.581 138 S N 2.510 118.183 115.700 -0.046 0.000 2.410 138 S HA 0.504 4.978 4.470 0.006 0.000 0.304 138 S C -0.506 174.011 174.600 -0.138 0.000 1.095 138 S CA -0.284 57.818 58.200 -0.164 0.000 1.089 138 S CB 1.326 64.570 63.200 0.073 0.000 0.968 138 S HN 0.278 nan 8.310 nan 0.000 0.480 139 K N 3.884 124.103 120.400 -0.301 0.000 2.213 139 K HA 0.472 4.796 4.320 0.006 0.000 0.270 139 K C -0.376 176.100 176.600 -0.206 0.000 1.002 139 K CA -0.718 55.456 56.287 -0.188 0.000 0.868 139 K CB 0.833 33.229 32.500 -0.174 0.000 1.093 139 K HN 0.532 nan 8.250 nan 0.000 0.454 140 L N 3.114 124.330 121.223 -0.012 0.000 2.490 140 L HA 0.673 5.017 4.340 0.006 0.000 0.245 140 L C -0.180 176.597 176.870 -0.155 0.000 1.185 140 L CA 0.189 55.062 54.840 0.054 0.000 0.813 140 L CB 1.531 43.649 42.059 0.099 0.000 1.233 140 L HN 0.538 nan 8.230 nan 0.000 0.489 141 V N 1.250 121.036 119.914 -0.214 0.000 2.854 141 V HA 0.530 4.654 4.120 0.006 0.000 0.274 141 V C -1.073 174.900 176.094 -0.202 0.000 1.423 141 V CA 0.429 62.550 62.300 -0.298 0.000 0.925 141 V CB 1.366 32.852 31.823 -0.562 0.000 1.116 141 V HN 1.046 nan 8.190 nan 0.000 0.459 142 S N 4.939 120.598 115.700 -0.068 0.000 2.740 142 S HA 1.031 5.505 4.470 0.006 0.000 0.300 142 S C -0.318 174.284 174.600 0.003 0.000 1.147 142 S CA -0.458 57.750 58.200 0.013 0.000 0.871 142 S CB 2.240 65.452 63.200 0.019 0.000 1.173 142 S HN 2.432 nan 8.310 nan 0.000 0.510 143 A N 1.569 124.415 122.820 0.043 0.000 2.599 143 A HA 0.656 4.980 4.320 0.006 0.000 0.281 143 A C -1.297 176.373 177.584 0.142 0.000 1.137 143 A CA -0.785 51.287 52.037 0.058 0.000 0.767 143 A CB 0.257 19.250 19.000 -0.012 0.000 1.266 143 A HN 0.659 nan 8.150 nan 0.000 0.420 144 N N 1.850 120.589 118.700 0.065 0.000 2.354 144 N HA 0.707 5.451 4.740 0.006 0.000 0.287 144 N C -0.587 174.897 175.510 -0.044 0.000 1.016 144 N CA -0.397 52.651 53.050 -0.003 0.000 0.871 144 N CB 2.432 40.768 38.487 -0.252 0.000 1.299 144 N HN 0.781 nan 8.380 nan 0.000 0.482 145 R N 1.370 121.893 120.500 0.037 0.000 2.634 145 R HA 0.413 4.757 4.340 0.006 0.000 0.263 145 R C -1.898 174.167 176.300 -0.391 0.000 1.060 145 R CA -0.604 55.363 56.100 -0.222 0.000 0.898 145 R CB 1.054 31.061 30.300 -0.489 0.000 1.253 145 R HN 0.324 nan 8.270 nan 0.000 0.461 146 L N 3.364 124.301 121.223 -0.477 0.000 2.309 146 L HA 0.571 4.915 4.340 0.006 0.000 0.282 146 L C -1.109 175.371 176.870 -0.649 0.000 1.036 146 L CA -0.039 54.551 54.840 -0.417 0.000 0.806 146 L CB 1.336 43.240 42.059 -0.259 0.000 1.220 146 L HN 0.461 nan 8.230 nan 0.000 0.429 147 F N 1.192 121.147 119.950 0.009 0.000 2.477 147 F HA 0.730 5.261 4.527 0.006 0.000 0.335 147 F C 0.666 176.595 175.800 0.216 0.000 1.130 147 F CA -0.767 57.294 58.000 0.103 0.000 0.948 147 F CB 1.883 41.043 39.000 0.266 0.000 1.154 147 F HN 0.440 nan 8.300 nan 0.000 0.439 148 G N 1.483 110.470 108.800 0.313 0.000 2.498 148 G HA2 0.300 4.264 3.960 0.006 0.000 0.312 148 G HA3 0.300 4.264 3.960 0.006 0.000 0.312 148 G C -1.617 173.586 174.900 0.505 0.000 1.230 148 G CA -0.654 44.699 45.100 0.422 0.000 0.968 148 G HN 0.459 nan 8.290 nan 0.000 0.481 149 D N 0.225 120.934 120.400 0.516 0.000 2.424 149 D HA 0.300 4.944 4.640 0.006 0.000 0.244 149 D C 1.625 177.992 176.300 0.112 0.000 1.134 149 D CA 0.333 54.477 54.000 0.241 0.000 0.881 149 D CB 1.494 42.454 40.800 0.267 0.000 1.191 149 D HN 0.500 nan 8.370 nan 0.000 0.445 150 K N 1.795 122.194 120.400 -0.002 0.000 2.152 150 K HA -0.163 4.161 4.320 0.006 0.000 0.206 150 K C 1.942 178.486 176.600 -0.094 0.000 1.048 150 K CA 1.931 58.197 56.287 -0.034 0.000 0.933 150 K CB -1.152 31.316 32.500 -0.053 0.000 0.721 150 K HN 0.635 nan 8.250 nan 0.000 0.447 151 S N -0.174 115.482 115.700 -0.073 0.000 2.528 151 S HA 0.075 4.549 4.470 0.006 0.000 0.244 151 S C 0.687 175.192 174.600 -0.158 0.000 0.982 151 S CA 0.293 58.442 58.200 -0.085 0.000 0.953 151 S CB -0.667 62.510 63.200 -0.038 0.000 0.754 151 S HN 0.435 nan 8.310 nan 0.000 0.529 152 L N 1.237 122.286 121.223 -0.290 0.000 2.331 152 L HA 0.433 4.777 4.340 0.006 0.000 0.275 152 L C -0.295 176.140 176.870 -0.726 0.000 1.022 152 L CA -0.615 53.924 54.840 -0.502 0.000 0.812 152 L CB 1.906 43.574 42.059 -0.651 0.000 1.257 152 L HN -0.042 nan 8.230 nan 0.000 0.435 153 T N 2.292 116.528 114.554 -0.529 0.000 2.733 153 T HA 0.440 4.794 4.350 0.006 0.000 0.294 153 T C -0.494 173.959 174.700 -0.411 0.000 0.956 153 T CA -0.201 61.667 62.100 -0.386 0.000 0.987 153 T CB 0.048 68.808 68.868 -0.181 0.000 0.920 153 T HN 0.058 nan 8.240 nan 0.000 0.470 154 F N 3.225 123.159 119.950 -0.026 0.000 2.411 154 F HA 0.286 4.817 4.527 0.007 0.000 0.350 154 F C 1.172 176.963 175.800 -0.014 0.000 1.114 154 F CA -1.669 56.310 58.000 -0.035 0.000 1.135 154 F CB 0.462 39.444 39.000 -0.030 0.000 1.120 154 F HN 0.438 nan 8.300 nan 0.000 0.495 155 N N 2.925 121.732 118.700 0.178 0.000 2.236 155 N HA -0.165 4.579 4.740 0.006 0.000 0.274 155 N C 1.200 176.797 175.510 0.144 0.000 1.339 155 N CA 0.337 53.455 53.050 0.114 0.000 0.845 155 N CB 0.450 38.989 38.487 0.086 0.000 1.091 155 N HN 0.725 nan 8.380 nan 0.000 0.489 156 E N 2.955 123.214 120.200 0.097 0.000 2.110 156 E HA -0.122 4.232 4.350 0.006 0.000 0.193 156 E C 1.140 177.781 176.600 0.068 0.000 0.988 156 E CA 1.733 58.181 56.400 0.081 0.000 0.804 156 E CB 0.004 29.732 29.700 0.048 0.000 0.745 156 E HN 0.694 nan 8.360 nan 0.000 0.458 157 T N -0.423 114.168 114.554 0.062 0.000 2.777 157 T HA -0.171 4.183 4.350 0.006 0.000 0.266 157 T C 1.459 176.175 174.700 0.026 0.000 1.040 157 T CA 1.358 63.478 62.100 0.034 0.000 1.141 157 T CB -0.641 68.243 68.868 0.025 0.000 0.868 157 T HN 0.364 nan 8.240 nan 0.000 0.444 158 Y N 2.051 122.323 120.300 -0.047 0.000 2.128 158 Y HA -0.223 4.331 4.550 0.006 0.000 0.284 158 Y C 2.655 178.509 175.900 -0.077 0.000 1.154 158 Y CA 1.448 59.499 58.100 -0.082 0.000 1.149 158 Y CB -0.317 38.091 38.460 -0.087 0.000 0.976 158 Y HN 0.061 nan 8.280 nan 0.000 0.505 159 Q N 0.356 120.224 119.800 0.114 0.000 2.135 159 Q HA -0.220 4.124 4.340 0.006 0.000 0.204 159 Q C 1.829 177.789 176.000 -0.066 0.000 0.981 159 Q CA 1.874 57.695 55.803 0.030 0.000 0.856 159 Q CB -0.440 28.349 28.738 0.085 0.000 0.902 159 Q HN 0.648 nan 8.270 nan 0.000 0.425 160 D N 0.123 120.493 120.400 -0.050 0.000 2.149 160 D HA -0.047 4.597 4.640 0.006 0.000 0.201 160 D C 2.080 178.332 176.300 -0.081 0.000 0.972 160 D CA 0.585 54.555 54.000 -0.050 0.000 0.835 160 D CB -0.018 40.766 40.800 -0.026 0.000 0.966 160 D HN 0.261 nan 8.370 nan 0.000 0.476 161 I N 0.885 121.372 120.570 -0.138 0.000 2.179 161 I HA -0.229 3.944 4.170 0.006 0.000 0.242 161 I C 2.438 178.460 176.117 -0.158 0.000 1.088 161 I CA 0.724 61.940 61.300 -0.140 0.000 1.357 161 I CB -0.168 37.697 38.000 -0.225 0.000 1.051 161 I HN -0.124 nan 8.210 nan 0.000 0.409 162 S N 0.312 115.827 115.700 -0.308 0.000 2.356 162 S HA -0.240 4.234 4.470 0.006 0.000 0.223 162 S C 1.910 176.473 174.600 -0.063 0.000 1.032 162 S CA 1.599 59.666 58.200 -0.222 0.000 1.005 162 S CB -0.304 62.698 63.200 -0.331 0.000 0.867 162 S HN 0.405 nan 8.310 nan 0.000 0.449 163 E N 0.842 120.997 120.200 -0.075 0.000 2.147 163 E HA -0.169 4.185 4.350 0.006 0.000 0.199 163 E C 1.745 178.335 176.600 -0.016 0.000 1.005 163 E CA 0.979 57.354 56.400 -0.040 0.000 0.810 163 E CB -0.232 29.445 29.700 -0.038 0.000 0.736 163 E HN 0.343 nan 8.360 nan 0.000 0.460 164 L N -1.232 119.985 121.223 -0.009 0.000 2.357 164 L HA 0.132 4.476 4.340 0.006 0.000 0.211 164 L C 1.808 178.699 176.870 0.035 0.000 1.075 164 L CA 0.716 55.565 54.840 0.015 0.000 0.830 164 L CB 0.364 42.437 42.059 0.023 0.000 0.996 164 L HN 0.078 nan 8.230 nan 0.000 0.467 165 V N -1.802 118.143 119.914 0.052 0.000 3.471 165 V HA -0.003 4.121 4.120 0.006 0.000 0.258 165 V C 0.558 176.727 176.094 0.126 0.000 1.192 165 V CA 0.398 62.743 62.300 0.076 0.000 1.116 165 V CB -0.156 31.744 31.823 0.129 0.000 0.792 165 V HN 0.409 nan 8.190 nan 0.000 0.459 166 Y N 0.624 120.881 120.300 -0.072 0.000 2.698 166 Y HA 0.540 5.094 4.550 0.007 0.000 0.261 166 Y C 1.325 177.191 175.900 -0.057 0.000 1.104 166 Y CA -0.278 57.774 58.100 -0.081 0.000 1.145 166 Y CB 0.469 38.853 38.460 -0.126 0.000 1.191 166 Y HN 0.196 nan 8.280 nan 0.000 0.564 167 G N 1.034 109.786 108.800 -0.081 0.000 2.609 167 G HA2 -0.159 3.805 3.960 0.006 0.000 0.235 167 G HA3 -0.159 3.805 3.960 0.006 0.000 0.235 167 G C 0.339 175.208 174.900 -0.051 0.000 1.177 167 G CA 0.091 45.135 45.100 -0.093 0.000 0.707 167 G HN 1.256 nan 8.290 nan 0.000 0.513 168 A N -1.339 121.440 122.820 -0.067 0.000 2.601 168 A HA 0.819 5.143 4.320 0.006 0.000 0.291 168 A C -0.136 177.402 177.584 -0.077 0.000 1.075 168 A CA 0.908 52.901 52.037 -0.072 0.000 0.671 168 A CB 0.791 19.722 19.000 -0.114 0.000 1.277 168 A HN 1.807 nan 8.150 nan 0.000 0.417 169 K N 0.187 120.530 120.400 -0.094 0.000 2.117 169 K HA 0.712 5.036 4.320 0.006 0.000 0.240 169 K C 0.204 176.718 176.600 -0.143 0.000 1.031 169 K CA -0.245 55.986 56.287 -0.093 0.000 0.909 169 K CB 0.498 32.962 32.500 -0.061 0.000 1.097 169 K HN 1.463 nan 8.250 nan 0.000 0.492 170 L N 1.234 122.376 121.223 -0.136 0.000 2.462 170 L HA 0.150 4.494 4.340 0.006 0.000 0.272 170 L C 0.082 176.812 176.870 -0.234 0.000 1.166 170 L CA -0.074 54.614 54.840 -0.253 0.000 0.880 170 L CB 0.790 42.624 42.059 -0.376 0.000 1.142 170 L HN 0.915 nan 8.230 nan 0.000 0.473 171 Q N 7.523 127.157 119.800 -0.276 0.000 2.274 171 Q HA 0.475 4.819 4.340 0.006 0.000 0.256 171 Q C -2.555 173.475 176.000 0.050 0.000 0.927 171 Q CA -1.745 53.989 55.803 -0.114 0.000 0.939 171 Q CB 1.597 30.263 28.738 -0.121 0.000 1.201 171 Q HN 0.332 nan 8.270 nan 0.000 0.426 172 P HA 0.414 nan 4.420 nan 0.000 0.286 172 P C -1.091 176.199 177.300 -0.016 0.000 1.261 172 P CA -0.343 62.834 63.100 0.127 0.000 0.821 172 P CB 1.023 32.832 31.700 0.182 0.000 1.013 173 L N 0.756 121.868 121.223 -0.185 0.000 2.479 173 L HA 0.440 4.784 4.340 0.006 0.000 0.255 173 L C -0.633 175.923 176.870 -0.523 0.000 1.026 173 L CA -0.832 53.759 54.840 -0.415 0.000 0.842 173 L CB 2.253 43.898 42.059 -0.690 0.000 1.444 173 L HN 0.207 nan 8.230 nan 0.000 0.409 174 D N -0.111 120.052 120.400 -0.395 0.000 2.456 174 D HA 0.313 4.957 4.640 0.006 0.000 0.219 174 D C 0.156 176.315 176.300 -0.234 0.000 1.126 174 D CA -0.044 53.806 54.000 -0.249 0.000 0.890 174 D CB 0.526 41.254 40.800 -0.120 0.000 1.025 174 D HN 0.235 nan 8.370 nan 0.000 0.511 175 F N 2.245 122.207 119.950 0.020 0.000 2.262 175 F HA 0.176 4.707 4.527 0.006 0.000 0.292 175 F C 2.317 178.128 175.800 0.019 0.000 1.081 175 F CA 0.259 58.271 58.000 0.019 0.000 1.355 175 F CB -0.359 38.660 39.000 0.031 0.000 1.069 175 F HN 0.268 nan 8.300 nan 0.000 0.506 176 K N 0.436 120.956 120.400 0.201 0.000 2.089 176 K HA -0.241 4.083 4.320 0.006 0.000 0.210 176 K C 2.106 178.753 176.600 0.078 0.000 1.048 176 K CA 2.383 58.741 56.287 0.119 0.000 0.926 176 K CB -0.152 32.396 32.500 0.080 0.000 0.714 176 K HN 0.405 nan 8.250 nan 0.000 0.448 177 E N -0.811 119.421 120.200 0.053 0.000 2.474 177 E HA 0.116 4.470 4.350 0.006 0.000 0.215 177 E C 0.308 176.924 176.600 0.028 0.000 0.867 177 E CA 0.174 56.594 56.400 0.033 0.000 1.135 177 E CB 0.175 29.883 29.700 0.014 0.000 1.147 177 E HN 0.304 nan 8.360 nan 0.000 0.534 178 N N -0.053 118.660 118.700 0.022 0.000 2.535 178 N HA 0.491 5.235 4.740 0.006 0.000 0.294 178 N C 1.132 176.668 175.510 0.043 0.000 1.408 178 N CA 0.538 53.594 53.050 0.011 0.000 0.927 178 N CB 1.000 39.469 38.487 -0.029 0.000 1.276 178 N HN 0.387 nan 8.380 nan 0.000 0.505 179 A N 0.949 123.827 122.820 0.097 0.000 1.870 179 A HA -0.319 4.005 4.320 0.006 0.000 0.219 179 A C 2.247 179.897 177.584 0.111 0.000 1.224 179 A CA 2.690 54.822 52.037 0.158 0.000 0.650 179 A CB -0.952 18.123 19.000 0.125 0.000 0.836 179 A HN 0.468 nan 8.150 nan 0.000 0.454 180 E N -1.884 118.352 120.200 0.060 0.000 2.152 180 E HA -0.021 4.332 4.350 0.006 0.000 0.192 180 E C 2.248 178.857 176.600 0.015 0.000 0.983 180 E CA 2.099 58.519 56.400 0.033 0.000 0.818 180 E CB -1.412 28.300 29.700 0.021 0.000 0.758 180 E HN 1.022 nan 8.360 nan 0.000 0.467 181 Q N 0.192 119.997 119.800 0.008 0.000 2.167 181 Q HA -0.058 4.285 4.340 0.006 0.000 0.202 181 Q C 2.542 178.522 176.000 -0.033 0.000 0.970 181 Q CA 1.918 57.713 55.803 -0.013 0.000 0.855 181 Q CB -0.673 28.054 28.738 -0.018 0.000 0.911 181 Q HN 0.604 nan 8.270 nan 0.000 0.438 182 S N -0.392 115.287 115.700 -0.034 0.000 2.406 182 S HA 0.012 4.486 4.470 0.006 0.000 0.224 182 S C 2.010 176.578 174.600 -0.053 0.000 1.030 182 S CA 0.538 58.686 58.200 -0.087 0.000 0.958 182 S CB -0.125 62.971 63.200 -0.174 0.000 0.811 182 S HN 0.684 nan 8.310 nan 0.000 0.489 183 R N 1.210 121.725 120.500 0.024 0.000 2.193 183 R HA -0.030 4.314 4.340 0.006 0.000 0.229 183 R C 2.004 178.277 176.300 -0.045 0.000 1.110 183 R CA 1.112 57.213 56.100 0.002 0.000 0.988 183 R CB -0.238 30.074 30.300 0.020 0.000 0.871 183 R HN 0.404 nan 8.270 nan 0.000 0.458 184 A N 0.016 122.813 122.820 -0.037 0.000 1.975 184 A HA 0.113 4.437 4.320 0.006 0.000 0.215 184 A C 2.190 179.752 177.584 -0.036 0.000 1.170 184 A CA 0.915 52.932 52.037 -0.033 0.000 0.656 184 A CB -0.271 18.716 19.000 -0.021 0.000 0.821 184 A HN 0.424 nan 8.150 nan 0.000 0.449 185 A N 0.293 123.077 122.820 -0.061 0.000 1.902 185 A HA -0.064 4.260 4.320 0.006 0.000 0.217 185 A C 2.077 179.618 177.584 -0.070 0.000 1.181 185 A CA 1.505 53.506 52.037 -0.060 0.000 0.623 185 A CB -0.557 18.380 19.000 -0.104 0.000 0.818 185 A HN 0.476 nan 8.150 nan 0.000 0.443 186 I N -0.104 120.345 120.570 -0.202 0.000 2.202 186 I HA -0.219 3.954 4.170 0.006 0.000 0.242 186 I C 1.790 177.923 176.117 0.026 0.000 1.091 186 I CA 1.060 62.208 61.300 -0.253 0.000 1.368 186 I CB -0.437 37.287 38.000 -0.460 0.000 1.058 186 I HN 0.278 nan 8.210 nan 0.000 0.410 187 N N 1.211 119.902 118.700 -0.014 0.000 2.519 187 N HA -0.152 4.592 4.740 0.006 0.000 0.186 187 N C 1.794 177.324 175.510 0.035 0.000 1.062 187 N CA 1.429 54.484 53.050 0.009 0.000 0.910 187 N CB -0.083 38.385 38.487 -0.031 0.000 0.958 187 N HN 0.456 nan 8.380 nan 0.000 0.445 188 K N 0.498 120.935 120.400 0.061 0.000 2.168 188 K HA -0.015 4.309 4.320 0.006 0.000 0.201 188 K C 1.665 178.337 176.600 0.120 0.000 1.049 188 K CA 0.362 56.689 56.287 0.068 0.000 0.974 188 K CB -1.311 31.225 32.500 0.061 0.000 0.792 188 K HN 0.379 nan 8.250 nan 0.000 0.463 189 W N 1.419 122.734 121.300 0.025 0.000 2.363 189 W HA -0.187 4.478 4.660 0.007 0.000 0.296 189 W C 1.250 177.821 176.519 0.086 0.000 1.212 189 W CA 1.846 59.235 57.345 0.074 0.000 1.260 189 W CB -0.117 29.431 29.460 0.147 0.000 1.131 189 W HN 0.072 nan 8.180 nan 0.000 0.530 190 V N 1.425 121.322 119.914 -0.029 0.000 2.323 190 V HA -0.285 3.839 4.120 0.006 0.000 0.244 190 V C 2.604 178.614 176.094 -0.139 0.000 1.041 190 V CA 2.254 64.479 62.300 -0.125 0.000 1.025 190 V CB -1.289 30.584 31.823 0.085 0.000 0.656 190 V HN 0.083 nan 8.190 nan 0.000 0.451 191 S N 0.713 116.371 115.700 -0.069 0.000 2.359 191 S HA -0.252 4.222 4.470 0.006 0.000 0.224 191 S C 2.040 176.581 174.600 -0.098 0.000 1.035 191 S CA 1.824 59.985 58.200 -0.065 0.000 1.018 191 S CB -0.658 62.517 63.200 -0.041 0.000 0.876 191 S HN 0.698 nan 8.310 nan 0.000 0.448 192 N N 1.644 120.270 118.700 -0.124 0.000 2.223 192 N HA -0.149 4.595 4.740 0.006 0.000 0.185 192 N C 1.501 176.884 175.510 -0.210 0.000 1.016 192 N CA 1.692 54.661 53.050 -0.136 0.000 0.863 192 N CB -0.212 38.213 38.487 -0.103 0.000 0.983 192 N HN 0.506 nan 8.380 nan 0.000 0.429 193 K N -0.024 120.160 120.400 -0.360 0.000 2.444 193 K HA 0.050 4.374 4.320 0.006 0.000 0.193 193 K C 1.400 177.912 176.600 -0.147 0.000 1.024 193 K CA 1.041 57.101 56.287 -0.378 0.000 1.077 193 K CB -0.562 31.488 32.500 -0.750 0.000 0.833 193 K HN 0.559 nan 8.250 nan 0.000 0.517 194 T N -4.519 110.003 114.554 -0.054 0.000 3.231 194 T HA 0.432 4.786 4.350 0.006 0.000 0.292 194 T C 0.800 175.547 174.700 0.078 0.000 1.001 194 T CA 1.269 63.446 62.100 0.129 0.000 0.920 194 T CB 0.004 68.968 68.868 0.160 0.000 1.140 194 T HN 1.100 nan 8.240 nan 0.000 0.525 195 E N 0.224 120.431 120.200 0.012 0.000 2.883 195 E HA -0.106 4.248 4.350 0.006 0.000 0.271 195 E C 1.707 178.279 176.600 -0.045 0.000 1.049 195 E CA 1.427 57.823 56.400 -0.007 0.000 0.817 195 E CB -2.666 27.055 29.700 0.036 0.000 1.407 195 E HN 2.372 nan 8.360 nan 0.000 0.434 196 G N -1.888 106.875 108.800 -0.063 0.000 2.157 196 G HA2 -0.308 3.656 3.960 0.006 0.000 0.239 196 G HA3 -0.308 3.656 3.960 0.006 0.000 0.239 196 G C 1.155 175.972 174.900 -0.138 0.000 0.982 196 G CA 0.901 45.949 45.100 -0.086 0.000 0.650 196 G HN 0.773 nan 8.290 nan 0.000 0.527 197 R N -0.261 120.132 120.500 -0.178 0.000 2.100 197 R HA 0.232 4.576 4.340 0.006 0.000 0.220 197 R C 1.173 177.325 176.300 -0.247 0.000 1.091 197 R CA 0.762 56.683 56.100 -0.299 0.000 0.986 197 R CB -0.011 30.012 30.300 -0.461 0.000 0.888 197 R HN 0.467 nan 8.270 nan 0.000 0.444 198 I N 2.702 123.226 120.570 -0.077 0.000 2.359 198 I HA 0.164 4.338 4.170 0.006 0.000 0.284 198 I C 0.250 176.354 176.117 -0.022 0.000 1.018 198 I CA -0.239 61.064 61.300 0.005 0.000 1.173 198 I CB 1.023 39.102 38.000 0.131 0.000 1.326 198 I HN -0.009 nan 8.210 nan 0.000 0.462 199 T N 0.742 115.267 114.554 -0.049 0.000 2.930 199 T HA 0.401 4.755 4.350 0.006 0.000 0.290 199 T C 0.049 174.730 174.700 -0.032 0.000 1.052 199 T CA -0.647 61.428 62.100 -0.042 0.000 1.017 199 T CB 2.201 71.030 68.868 -0.064 0.000 1.137 199 T HN 0.537 nan 8.240 nan 0.000 0.511 200 D N 0.264 120.643 120.400 -0.035 0.000 2.686 200 D HA -0.141 4.503 4.640 0.006 0.000 0.235 200 D C 1.362 177.626 176.300 -0.059 0.000 1.160 200 D CA 0.366 54.336 54.000 -0.049 0.000 0.645 200 D CB -0.942 39.830 40.800 -0.046 0.000 1.039 200 D HN 0.471 nan 8.370 nan 0.000 0.423 201 V N -0.423 119.465 119.914 -0.044 0.000 2.332 201 V HA -0.180 3.943 4.120 0.006 0.000 0.248 201 V C 1.611 177.574 176.094 -0.217 0.000 1.055 201 V CA 1.341 63.617 62.300 -0.041 0.000 1.038 201 V CB -0.040 31.807 31.823 0.039 0.000 0.651 201 V HN 0.368 nan 8.190 nan 0.000 0.450 202 I N 3.107 123.490 120.570 -0.311 0.000 2.328 202 I HA 0.290 4.464 4.170 0.006 0.000 0.287 202 I C -2.334 173.570 176.117 -0.355 0.000 1.012 202 I CA -1.984 58.941 61.300 -0.626 0.000 1.195 202 I CB 1.699 39.375 38.000 -0.540 0.000 1.350 202 I HN 0.124 nan 8.210 nan 0.000 0.464 203 P HA 0.085 nan 4.420 nan 0.000 0.271 203 P C -0.209 177.037 177.300 -0.090 0.000 1.216 203 P CA -0.171 62.851 63.100 -0.130 0.000 0.771 203 P CB 0.860 32.526 31.700 -0.057 0.000 0.864 204 S N 2.559 118.229 115.700 -0.050 0.000 2.561 204 S HA -0.054 4.420 4.470 0.006 0.000 0.294 204 S C 1.070 175.669 174.600 -0.001 0.000 1.294 204 S CA 1.182 59.367 58.200 -0.024 0.000 1.055 204 S CB -0.417 62.775 63.200 -0.013 0.000 0.819 204 S HN 0.834 nan 8.310 nan 0.000 0.503 205 E N 0.111 120.318 120.200 0.012 0.000 4.129 205 E HA -0.273 4.081 4.350 0.006 0.000 0.354 205 E C 0.628 177.259 176.600 0.053 0.000 0.673 205 E CA 1.575 57.994 56.400 0.031 0.000 1.347 205 E CB -1.875 27.844 29.700 0.032 0.000 1.722 205 E HN 0.540 nan 8.360 nan 0.000 0.410 206 A N 0.954 123.806 122.820 0.053 0.000 1.854 206 A HA 0.329 4.653 4.320 0.006 0.000 0.214 206 A C 1.352 179.010 177.584 0.124 0.000 1.192 206 A CA 1.322 53.440 52.037 0.134 0.000 0.611 206 A CB 0.009 19.068 19.000 0.099 0.000 0.832 206 A HN 0.378 nan 8.150 nan 0.000 0.442 207 I N 1.409 122.017 120.570 0.063 0.000 2.312 207 I HA 0.198 4.372 4.170 0.006 0.000 0.290 207 I C 0.037 176.175 176.117 0.035 0.000 1.008 207 I CA -0.622 60.686 61.300 0.014 0.000 1.226 207 I CB 1.064 39.058 38.000 -0.009 0.000 1.371 207 I HN 0.602 nan 8.210 nan 0.000 0.468 208 N N 4.347 123.062 118.700 0.025 0.000 2.996 208 N HA 0.317 5.061 4.740 0.006 0.000 0.312 208 N C 1.020 176.579 175.510 0.081 0.000 1.362 208 N CA 0.077 53.160 53.050 0.055 0.000 0.714 208 N CB -0.001 38.515 38.487 0.049 0.000 1.171 208 N HN 0.328 nan 8.380 nan 0.000 0.478 209 E N -0.551 119.695 120.200 0.077 0.000 2.400 209 E HA 0.270 4.624 4.350 0.006 0.000 0.195 209 E C 1.513 178.170 176.600 0.096 0.000 1.012 209 E CA 0.384 56.841 56.400 0.095 0.000 0.875 209 E CB -0.674 nan 29.700 nan 0.000 0.859 209 E HN 0.495 nan 8.360 nan 0.000 0.498 210 L N 1.235 122.504 121.223 0.077 0.000 2.700 210 L HA 0.183 4.527 4.340 0.006 0.000 0.234 210 L C 0.300 177.201 176.870 0.051 0.000 1.156 210 L CA -0.089 54.803 54.840 0.088 0.000 0.946 210 L CB 0.570 42.692 42.059 0.106 0.000 1.216 210 L HN 0.028 nan 8.230 nan 0.000 0.493 211 T N 0.864 115.399 114.554 -0.031 0.000 2.752 211 T HA 0.100 4.454 4.350 0.006 0.000 0.295 211 T C 1.174 175.720 174.700 -0.256 0.000 0.923 211 T CA -0.007 61.941 62.100 -0.253 0.000 1.112 211 T CB 1.631 70.177 68.868 -0.536 0.000 0.884 211 T HN 0.155 nan 8.240 nan 0.000 0.525 212 V N 2.759 122.521 119.914 -0.255 0.000 3.212 212 V HA 0.548 4.672 4.120 0.006 0.000 0.244 212 V C 0.105 176.182 176.094 -0.027 0.000 1.151 212 V CA 0.162 62.414 62.300 -0.080 0.000 1.119 212 V CB 0.076 31.787 31.823 -0.187 0.000 0.838 212 V HN 0.530 nan 8.190 nan 0.000 0.470 213 L N 0.869 121.962 121.223 -0.218 0.000 2.493 213 L HA 0.822 5.166 4.340 0.006 0.000 0.265 213 L C -1.277 175.517 176.870 -0.127 0.000 0.954 213 L CA -0.473 54.299 54.840 -0.113 0.000 0.844 213 L CB 2.179 44.137 42.059 -0.168 0.000 1.302 213 L HN -0.016 nan 8.230 nan 0.000 0.405 214 V N 5.420 125.335 119.914 0.002 0.000 2.638 214 V HA 0.514 4.638 4.120 0.006 0.000 0.306 214 V C -0.685 175.476 176.094 0.111 0.000 1.052 214 V CA -0.694 61.649 62.300 0.073 0.000 0.885 214 V CB 2.051 33.980 31.823 0.177 0.000 0.999 214 V HN 0.533 nan 8.190 nan 0.000 0.424 215 L N 4.928 126.179 121.223 0.045 0.000 2.307 215 L HA 0.697 5.041 4.340 0.006 0.000 0.282 215 L C -0.383 176.592 176.870 0.174 0.000 1.051 215 L CA -0.058 54.779 54.840 -0.004 0.000 0.804 215 L CB 1.754 43.694 42.059 -0.197 0.000 1.197 215 L HN 0.438 nan 8.230 nan 0.000 0.431 216 V N 3.337 123.369 119.914 0.197 0.000 2.711 216 V HA 0.448 4.572 4.120 0.006 0.000 0.304 216 V C -1.200 175.047 176.094 0.256 0.000 1.097 216 V CA -0.917 61.569 62.300 0.310 0.000 0.906 216 V CB 2.438 34.539 31.823 0.463 0.000 1.015 216 V HN 0.990 nan 8.190 nan 0.000 0.427 217 N N 1.398 120.253 118.700 0.259 0.000 2.542 217 N HA 0.649 5.393 4.740 0.006 0.000 0.288 217 N C -0.805 174.814 175.510 0.181 0.000 1.115 217 N CA -0.720 52.470 53.050 0.234 0.000 0.924 217 N CB 2.098 40.746 38.487 0.268 0.000 1.526 217 N HN 0.611 nan 8.380 nan 0.000 0.515 218 T N -0.422 114.222 114.554 0.150 0.000 2.924 218 T HA 0.840 5.194 4.350 0.006 0.000 0.291 218 T C -0.390 174.412 174.700 0.170 0.000 1.045 218 T CA -0.789 61.379 62.100 0.113 0.000 1.015 218 T CB 1.452 70.409 68.868 0.149 0.000 1.103 218 T HN 0.702 nan 8.240 nan 0.000 0.496 219 I N 1.531 122.247 120.570 0.243 0.000 2.897 219 I HA 0.621 4.795 4.170 0.006 0.000 0.299 219 I C -2.201 174.178 176.117 0.436 0.000 1.527 219 I CA -1.211 60.278 61.300 0.315 0.000 0.979 219 I CB 1.971 40.144 38.000 0.288 0.000 1.360 219 I HN 1.066 nan 8.210 nan 0.000 0.495 220 Y N 3.775 124.171 120.300 0.160 0.000 2.725 220 Y HA 0.726 5.280 4.550 0.006 0.000 0.333 220 Y C -2.232 173.674 175.900 0.011 0.000 1.242 220 Y CA -1.198 56.792 58.100 -0.184 0.000 1.059 220 Y CB 1.110 39.124 38.460 -0.744 0.000 1.306 220 Y HN 0.487 nan 8.280 nan 0.000 0.454 221 F N 1.993 121.723 119.950 -0.367 0.000 2.551 221 F HA 0.675 5.206 4.527 0.006 0.000 0.316 221 F C -1.355 174.273 175.800 -0.286 0.000 1.089 221 F CA -1.204 56.599 58.000 -0.329 0.000 0.915 221 F CB 2.018 40.837 39.000 -0.301 0.000 1.186 221 F HN 0.478 nan 8.300 nan 0.000 0.456 222 K N 4.282 124.014 120.400 -1.114 0.000 2.394 222 K HA 0.717 5.041 4.320 0.006 0.000 0.260 222 K C -0.617 175.132 176.600 -1.419 0.000 0.967 222 K CA -0.789 54.963 56.287 -0.891 0.000 0.855 222 K CB 1.641 33.856 32.500 -0.476 0.000 1.101 222 K HN 0.909 nan 8.250 nan 0.000 0.433 223 G N 2.395 110.563 108.800 -1.054 0.000 2.632 223 G HA2 0.468 4.431 3.960 0.006 0.000 0.292 223 G HA3 0.468 4.431 3.960 0.006 0.000 0.292 223 G C -1.553 173.178 174.900 -0.281 0.000 1.465 223 G CA -0.777 43.844 45.100 -0.798 0.000 0.824 223 G HN 0.335 nan 8.290 nan 0.000 0.509 224 L N -0.035 121.180 121.223 -0.013 0.000 2.334 224 L HA 0.534 4.878 4.340 0.006 0.000 0.273 224 L C -0.391 176.653 176.870 0.289 0.000 1.013 224 L CA -0.901 53.991 54.840 0.086 0.000 0.816 224 L CB 2.059 44.167 42.059 0.081 0.000 1.278 224 L HN 0.625 nan 8.230 nan 0.000 0.431 225 W N 2.334 123.797 121.300 0.272 0.000 2.253 225 W HA 0.105 4.769 4.660 0.007 0.000 0.322 225 W C 1.472 178.042 176.519 0.085 0.000 1.342 225 W CA -0.260 57.162 57.345 0.128 0.000 1.218 225 W CB 0.783 30.289 29.460 0.077 0.000 1.205 225 W HN 0.588 nan 8.180 nan 0.000 0.551 226 K N 1.411 122.012 120.400 0.334 0.000 2.147 226 K HA -0.141 4.183 4.320 0.006 0.000 0.205 226 K C 0.669 177.332 176.600 0.104 0.000 1.049 226 K CA 1.155 57.549 56.287 0.178 0.000 0.936 226 K CB 0.050 32.626 32.500 0.126 0.000 0.722 226 K HN 0.257 nan 8.250 nan 0.000 0.446 227 S N 0.974 116.733 115.700 0.098 0.000 2.622 227 S HA 0.271 4.745 4.470 0.006 0.000 0.283 227 S C -1.173 173.354 174.600 -0.123 0.000 1.197 227 S CA -0.880 57.289 58.200 -0.053 0.000 1.146 227 S CB 0.579 63.682 63.200 -0.162 0.000 1.007 227 S HN 0.174 nan 8.310 nan 0.000 0.478 228 K N 2.608 122.998 120.400 -0.017 0.000 2.219 228 K HA 0.313 4.637 4.320 0.006 0.000 0.258 228 K C -0.709 175.782 176.600 -0.182 0.000 1.008 228 K CA 0.081 56.389 56.287 0.035 0.000 0.928 228 K CB 0.448 33.042 32.500 0.156 0.000 0.983 228 K HN 0.441 nan 8.250 nan 0.000 0.484 229 F N -0.144 119.817 119.950 0.018 0.000 2.432 229 F HA 0.205 4.735 4.527 0.005 0.000 0.329 229 F C 0.869 176.692 175.800 0.037 0.000 1.076 229 F CA -0.532 57.453 58.000 -0.024 0.000 1.018 229 F CB 1.795 40.769 39.000 -0.044 0.000 1.201 229 F HN 0.305 nan 8.300 nan 0.000 0.489 230 S N 2.252 118.084 115.700 0.221 0.000 2.442 230 S HA 0.360 4.833 4.470 0.006 0.000 0.297 230 S C -1.920 172.772 174.600 0.153 0.000 1.131 230 S CA -1.686 56.606 58.200 0.154 0.000 1.092 230 S CB 1.195 64.461 63.200 0.110 0.000 0.998 230 S HN 0.292 nan 8.310 nan 0.000 0.478 231 P HA -0.076 nan 4.420 nan 0.000 0.219 231 P C 0.758 178.105 177.300 0.080 0.000 1.146 231 P CA 0.998 64.155 63.100 0.095 0.000 0.808 231 P CB 0.115 31.862 31.700 0.078 0.000 0.779 232 E N -0.619 119.629 120.200 0.080 0.000 2.204 232 E HA -0.158 4.196 4.350 0.006 0.000 0.195 232 E C 1.105 177.749 176.600 0.072 0.000 0.990 232 E CA 0.991 57.430 56.400 0.066 0.000 0.821 232 E CB -0.632 29.104 29.700 0.061 0.000 0.750 232 E HN 0.502 nan 8.360 nan 0.000 0.477 233 N N -0.114 118.649 118.700 0.104 0.000 2.336 233 N HA 0.004 4.748 4.740 0.006 0.000 0.189 233 N C -0.344 175.225 175.510 0.097 0.000 1.113 233 N CA -0.033 53.090 53.050 0.123 0.000 0.858 233 N CB 0.647 39.279 38.487 0.242 0.000 0.970 233 N HN -0.112 nan 8.380 nan 0.000 0.471 234 T N 1.880 116.481 114.554 0.079 0.000 2.870 234 T HA 0.199 4.553 4.350 0.006 0.000 0.300 234 T C 0.298 175.019 174.700 0.036 0.000 0.989 234 T CA 0.126 62.256 62.100 0.051 0.000 1.139 234 T CB 0.713 69.603 68.868 0.037 0.000 0.920 234 T HN 0.055 nan 8.240 nan 0.000 0.537 235 R N 2.015 122.535 120.500 0.033 0.000 2.888 235 R HA 0.439 4.783 4.340 0.006 0.000 0.266 235 R C -0.526 175.797 176.300 0.038 0.000 1.020 235 R CA -1.097 55.020 56.100 0.028 0.000 0.963 235 R CB 1.407 31.719 30.300 0.020 0.000 1.197 235 R HN 0.387 nan 8.270 nan 0.000 0.481 236 K N 2.270 122.688 120.400 0.031 0.000 2.258 236 K HA 0.311 4.635 4.320 0.006 0.000 0.284 236 K C -0.355 176.267 176.600 0.037 0.000 1.051 236 K CA 0.006 56.312 56.287 0.032 0.000 0.923 236 K CB 1.080 33.592 32.500 0.020 0.000 1.046 236 K HN 0.551 nan 8.250 nan 0.000 0.474 237 E N 1.804 122.032 120.200 0.047 0.000 2.390 237 E HA 0.314 4.668 4.350 0.006 0.000 0.277 237 E C -0.594 176.015 176.600 0.016 0.000 0.939 237 E CA -0.760 55.666 56.400 0.042 0.000 0.769 237 E CB 1.878 31.624 29.700 0.077 0.000 1.251 237 E HN 0.269 nan 8.360 nan 0.000 0.450 238 L N 1.981 123.174 121.223 -0.050 0.000 2.456 238 L HA 0.226 4.570 4.340 0.006 0.000 0.272 238 L C -0.378 176.321 176.870 -0.284 0.000 1.189 238 L CA 0.306 55.022 54.840 -0.206 0.000 0.846 238 L CB 0.070 41.923 42.059 -0.345 0.000 1.111 238 L HN 0.420 nan 8.230 nan 0.000 0.475 239 F N 2.491 122.171 119.950 -0.450 0.000 2.507 239 F HA 0.385 4.915 4.527 0.006 0.000 0.328 239 F C -0.767 174.748 175.800 -0.476 0.000 1.136 239 F CA -0.761 57.041 58.000 -0.330 0.000 0.930 239 F CB 0.955 39.886 39.000 -0.115 0.000 1.166 239 F HN 0.139 nan 8.300 nan 0.000 0.436 240 Y N 5.914 126.063 120.300 -0.251 0.000 2.556 240 Y HA 0.308 4.862 4.550 0.006 0.000 0.352 240 Y C 0.624 176.546 175.900 0.038 0.000 1.006 240 Y CA -0.520 57.533 58.100 -0.078 0.000 1.277 240 Y CB 0.278 38.652 38.460 -0.144 0.000 1.136 240 Y HN 0.385 nan 8.280 nan 0.000 0.523 241 K N 1.267 121.815 120.400 0.247 0.000 2.149 241 K HA 0.319 4.643 4.320 0.006 0.000 0.245 241 K C 1.005 177.696 176.600 0.150 0.000 1.024 241 K CA 0.216 56.642 56.287 0.232 0.000 0.899 241 K CB 0.659 33.249 32.500 0.150 0.000 1.038 241 K HN 0.727 nan 8.250 nan 0.000 0.496 242 A N 1.435 124.324 122.820 0.115 0.000 2.119 242 A HA -0.144 4.180 4.320 0.006 0.000 0.217 242 A C 1.419 179.036 177.584 0.054 0.000 1.153 242 A CA 1.708 53.789 52.037 0.074 0.000 0.692 242 A CB -0.491 18.542 19.000 0.056 0.000 0.799 242 A HN 0.852 nan 8.150 nan 0.000 0.458 243 D N -2.128 118.304 120.400 0.055 0.000 2.347 243 D HA 0.213 4.857 4.640 0.006 0.000 0.215 243 D C 1.269 177.596 176.300 0.043 0.000 0.976 243 D CA 1.265 55.288 54.000 0.039 0.000 0.884 243 D CB -0.408 40.411 40.800 0.032 0.000 0.915 243 D HN 0.726 nan 8.370 nan 0.000 0.526 244 G N -0.708 108.129 108.800 0.063 0.000 2.253 244 G HA2 -0.209 3.755 3.960 0.006 0.000 0.209 244 G HA3 -0.209 3.755 3.960 0.006 0.000 0.209 244 G C 0.234 175.188 174.900 0.090 0.000 0.997 244 G CA 0.012 45.151 45.100 0.065 0.000 0.640 244 G HN 0.334 nan 8.290 nan 0.000 0.496 245 E N 0.529 120.781 120.200 0.086 0.000 2.504 245 E HA 0.739 5.093 4.350 0.006 0.000 0.253 245 E C 0.430 177.089 176.600 0.098 0.000 1.151 245 E CA 0.206 56.656 56.400 0.084 0.000 0.972 245 E CB 1.357 31.087 29.700 0.050 0.000 1.247 245 E HN 0.811 nan 8.360 nan 0.000 0.519 246 S N -1.129 114.596 115.700 0.041 0.000 2.569 246 S HA 0.693 5.167 4.470 0.006 0.000 0.280 246 S C -0.171 174.398 174.600 -0.053 0.000 1.111 246 S CA -0.886 57.273 58.200 -0.069 0.000 0.887 246 S CB 0.668 63.707 63.200 -0.269 0.000 1.095 246 S HN 0.726 nan 8.310 nan 0.000 0.476 247 c N -0.044 118.529 118.600 -0.046 0.000 3.044 247 c HA 0.909 5.483 4.570 0.006 0.000 0.315 247 c C 0.352 174.430 174.090 -0.020 0.000 1.320 247 c CA -0.791 55.525 56.329 -0.023 0.000 1.582 247 c CB 0.917 43.419 42.510 -0.012 0.000 2.039 247 c HN 0.957 nan 8.230 nan 0.000 0.466 248 S N 0.541 116.233 115.700 -0.013 0.000 2.523 248 S HA 0.669 5.143 4.470 0.006 0.000 0.275 248 S C -0.014 174.594 174.600 0.013 0.000 1.281 248 S CA 0.303 58.503 58.200 -0.001 0.000 1.050 248 S CB 0.009 63.207 63.200 -0.003 0.000 0.937 248 S HN 1.686 nan 8.310 nan 0.000 0.492 249 A N 3.682 126.528 122.820 0.043 0.000 2.479 249 A HA 0.757 5.081 4.320 0.006 0.000 0.296 249 A C -0.493 177.129 177.584 0.064 0.000 1.121 249 A CA -0.747 51.324 52.037 0.058 0.000 0.743 249 A CB 1.572 20.649 19.000 0.128 0.000 1.323 249 A HN 0.685 nan 8.150 nan 0.000 0.415 250 S N 0.917 116.653 115.700 0.061 0.000 2.404 250 S HA 0.400 4.874 4.470 0.006 0.000 0.309 250 S C -0.342 174.299 174.600 0.067 0.000 1.076 250 S CA -0.119 58.112 58.200 0.052 0.000 1.095 250 S CB 0.011 63.232 63.200 0.035 0.000 0.972 250 S HN 0.562 nan 8.310 nan 0.000 0.484 251 M N 4.978 124.622 119.600 0.074 0.000 2.080 251 M HA 0.407 4.890 4.480 0.006 0.000 0.350 251 M C -0.453 175.859 176.300 0.021 0.000 1.173 251 M CA -0.031 55.320 55.300 0.085 0.000 1.052 251 M CB 0.233 32.922 32.600 0.149 0.000 1.577 251 M HN 0.532 nan 8.290 nan 0.000 0.455 252 M N 3.968 123.516 119.600 -0.088 0.000 2.255 252 M HA 0.304 4.787 4.480 0.006 0.000 0.336 252 M C -1.065 175.210 176.300 -0.042 0.000 1.135 252 M CA -0.245 54.932 55.300 -0.204 0.000 1.145 252 M CB 0.909 33.023 32.600 -0.811 0.000 1.473 252 M HN 0.663 nan 8.290 nan 0.000 0.462 253 Y N 1.802 122.101 120.300 -0.002 0.000 2.504 253 Y HA 0.515 5.067 4.550 0.004 0.000 0.344 253 Y C -1.368 174.615 175.900 0.138 0.000 1.023 253 Y CA -0.599 57.471 58.100 -0.049 0.000 1.020 253 Y CB 1.597 39.886 38.460 -0.286 0.000 1.282 253 Y HN 0.756 nan 8.280 nan 0.000 0.454 254 Q N 2.818 122.096 119.800 -0.869 0.000 2.702 254 Q HA 0.523 4.867 4.340 0.006 0.000 0.289 254 Q C -2.181 173.430 176.000 -0.649 0.000 0.923 254 Q CA -1.157 54.192 55.803 -0.756 0.000 0.787 254 Q CB 2.313 30.754 28.738 -0.494 0.000 1.476 254 Q HN 0.725 nan 8.270 nan 0.000 0.402 255 E N -0.253 119.717 120.200 -0.384 0.000 2.256 255 E HA 0.841 5.195 4.350 0.006 0.000 0.267 255 E C -0.679 175.890 176.600 -0.052 0.000 0.892 255 E CA -0.779 55.521 56.400 -0.167 0.000 0.775 255 E CB 2.215 31.841 29.700 -0.123 0.000 1.207 255 E HN 0.890 nan 8.360 nan 0.000 0.420 256 G N -0.173 108.645 108.800 0.031 0.000 2.324 256 G HA2 0.420 4.383 3.960 0.006 0.000 0.293 256 G HA3 0.420 4.383 3.960 0.006 0.000 0.293 256 G C -1.491 173.303 174.900 -0.177 0.000 1.297 256 G CA -0.457 44.567 45.100 -0.127 0.000 0.853 256 G HN 0.491 nan 8.290 nan 0.000 0.535 257 K N -0.681 119.465 120.400 -0.422 0.000 2.205 257 K HA 0.842 5.166 4.320 0.006 0.000 0.279 257 K C -1.085 175.124 176.600 -0.653 0.000 1.027 257 K CA -0.279 55.811 56.287 -0.329 0.000 0.932 257 K CB 0.614 32.968 32.500 -0.243 0.000 1.032 257 K HN 0.850 nan 8.250 nan 0.000 0.466 258 F N 0.213 120.117 119.950 -0.076 0.000 2.641 258 F HA 0.419 4.949 4.527 0.005 0.000 0.308 258 F C 0.416 176.214 175.800 -0.004 0.000 1.105 258 F CA -0.970 56.989 58.000 -0.069 0.000 0.964 258 F CB 2.380 41.307 39.000 -0.121 0.000 1.294 258 F HN 0.442 nan 8.300 nan 0.000 0.442 259 R N 2.025 122.641 120.500 0.192 0.000 2.351 259 R HA 0.262 4.606 4.340 0.006 0.000 0.318 259 R C -1.351 175.060 176.300 0.184 0.000 1.055 259 R CA -0.032 56.152 56.100 0.140 0.000 0.968 259 R CB 0.430 30.785 30.300 0.092 0.000 0.974 259 R HN 0.667 nan 8.270 nan 0.000 0.439 260 Y N 1.994 122.310 120.300 0.026 0.000 2.669 260 Y HA 0.586 5.141 4.550 0.008 0.000 0.335 260 Y C -1.165 174.735 175.900 0.000 0.000 1.116 260 Y CA -1.357 56.742 58.100 -0.002 0.000 1.081 260 Y CB 1.915 40.380 38.460 0.009 0.000 1.297 260 Y HN 0.523 nan 8.280 nan 0.000 0.484 261 R N 2.533 122.315 120.500 -1.197 0.000 3.070 261 R HA 0.310 4.653 4.340 0.006 0.000 0.249 261 R C -2.513 173.263 176.300 -0.874 0.000 1.124 261 R CA -0.709 54.922 56.100 -0.783 0.000 1.111 261 R CB 0.714 30.814 30.300 -0.333 0.000 1.268 261 R HN 0.767 nan 8.270 nan 0.000 0.466 262 R N 4.332 124.526 120.500 -0.510 0.000 2.204 262 R HA 0.494 4.838 4.340 0.006 0.000 0.341 262 R C 0.009 176.175 176.300 -0.224 0.000 1.035 262 R CA -0.170 55.759 56.100 -0.284 0.000 0.887 262 R CB 0.459 30.725 30.300 -0.057 0.000 1.114 262 R HN 0.559 nan 8.270 nan 0.000 0.473 263 V N 1.741 121.476 119.914 -0.298 0.000 4.635 263 V HA 0.706 4.830 4.120 0.006 0.000 0.272 263 V C 0.450 176.470 176.094 -0.123 0.000 1.265 263 V CA -0.458 61.699 62.300 -0.238 0.000 0.747 263 V CB -0.141 31.390 31.823 -0.486 0.000 1.246 263 V HN 0.775 nan 8.190 nan 0.000 0.404 264 A N -0.221 122.576 122.820 -0.038 0.000 2.520 264 A HA 0.314 4.638 4.320 0.006 0.000 0.245 264 A C 0.696 178.282 177.584 0.004 0.000 1.072 264 A CA 0.745 52.803 52.037 0.037 0.000 0.761 264 A CB -1.212 17.878 19.000 0.150 0.000 1.004 264 A HN 1.155 nan 8.150 nan 0.000 0.499 265 E N 0.906 121.109 120.200 0.006 0.000 2.586 265 E HA -0.267 4.087 4.350 0.006 0.000 0.259 265 E C 0.982 177.565 176.600 -0.029 0.000 1.107 265 E CA 0.974 57.373 56.400 -0.002 0.000 0.754 265 E CB -1.903 27.810 29.700 0.020 0.000 1.335 265 E HN 2.227 nan 8.360 nan 0.000 0.411 266 G N -0.497 108.274 108.800 -0.048 0.000 2.168 266 G HA2 -0.371 3.593 3.960 0.006 0.000 0.263 266 G HA3 -0.371 3.593 3.960 0.006 0.000 0.263 266 G C 0.378 175.220 174.900 -0.097 0.000 0.977 266 G CA 0.700 45.763 45.100 -0.062 0.000 0.659 266 G HN 0.311 nan 8.290 nan 0.000 0.533 267 T N 1.260 115.726 114.554 -0.147 0.000 2.870 267 T HA 0.428 4.782 4.350 0.006 0.000 0.300 267 T C 0.492 175.026 174.700 -0.276 0.000 0.989 267 T CA 0.341 62.313 62.100 -0.213 0.000 1.139 267 T CB 1.066 69.742 68.868 -0.320 0.000 0.920 267 T HN 0.432 nan 8.240 nan 0.000 0.537 268 Q N 1.721 121.421 119.800 -0.166 0.000 2.230 268 Q HA 0.555 4.899 4.340 0.006 0.000 0.253 268 Q C -0.960 174.986 176.000 -0.090 0.000 0.919 268 Q CA -0.716 55.028 55.803 -0.099 0.000 0.908 268 Q CB 1.727 30.579 28.738 0.190 0.000 1.245 268 Q HN 0.382 nan 8.270 nan 0.000 0.437 269 V N 3.967 123.722 119.914 -0.266 0.000 2.376 269 V HA 0.352 4.476 4.120 0.006 0.000 0.287 269 V C -1.021 174.975 176.094 -0.162 0.000 1.015 269 V CA -0.672 61.512 62.300 -0.193 0.000 0.834 269 V CB 1.368 33.025 31.823 -0.275 0.000 1.001 269 V HN 0.537 nan 8.190 nan 0.000 0.428 270 L N 4.156 125.293 121.223 -0.142 0.000 2.346 270 L HA 0.700 5.044 4.340 0.006 0.000 0.274 270 L C -0.339 176.439 176.870 -0.152 0.000 1.007 270 L CA -0.063 54.626 54.840 -0.253 0.000 0.818 270 L CB 1.936 43.442 42.059 -0.921 0.000 1.284 270 L HN 0.771 nan 8.230 nan 0.000 0.424 271 E N 4.632 124.795 120.200 -0.062 0.000 2.185 271 E HA 0.443 4.797 4.350 0.006 0.000 0.261 271 E C -1.779 174.857 176.600 0.061 0.000 0.879 271 E CA -0.508 55.910 56.400 0.029 0.000 0.756 271 E CB 1.016 30.764 29.700 0.080 0.000 1.152 271 E HN 0.669 nan 8.360 nan 0.000 0.416 272 L N 7.223 128.467 121.223 0.034 0.000 2.277 272 L HA 0.470 4.814 4.340 0.006 0.000 0.284 272 L C -2.079 174.865 176.870 0.124 0.000 1.028 272 L CA -2.081 52.785 54.840 0.044 0.000 0.835 272 L CB 1.045 42.964 42.059 -0.235 0.000 1.215 272 L HN 0.398 nan 8.230 nan 0.000 0.425 273 P HA 0.143 nan 4.420 nan 0.000 0.275 273 P C -0.809 176.576 177.300 0.141 0.000 1.228 273 P CA -0.085 63.101 63.100 0.144 0.000 0.786 273 P CB 0.856 32.636 31.700 0.132 0.000 0.927 274 F N 0.884 121.012 119.950 0.297 0.000 2.378 274 F HA 0.310 4.841 4.527 0.007 0.000 0.325 274 F C 1.675 177.591 175.800 0.193 0.000 1.097 274 F CA -0.694 57.463 58.000 0.262 0.000 1.079 274 F CB 0.955 40.108 39.000 0.256 0.000 1.240 274 F HN 0.182 nan 8.300 nan 0.000 0.519 275 K N 1.113 121.739 120.400 0.376 0.000 2.430 275 K HA 0.256 4.580 4.320 0.006 0.000 0.280 275 K C 0.675 177.392 176.600 0.195 0.000 1.063 275 K CA 1.158 57.578 56.287 0.222 0.000 1.071 275 K CB -0.384 32.217 32.500 0.168 0.000 0.899 275 K HN 0.907 nan 8.250 nan 0.000 0.473 276 G N 3.355 112.247 108.800 0.153 0.000 2.545 276 G HA2 -0.197 3.767 3.960 0.006 0.000 0.195 276 G HA3 -0.197 3.767 3.960 0.006 0.000 0.195 276 G C 0.258 175.234 174.900 0.127 0.000 1.009 276 G CA 0.091 45.268 45.100 0.128 0.000 0.703 276 G HN 0.838 nan 8.290 nan 0.000 0.479 277 D N 0.574 121.069 120.400 0.157 0.000 2.394 277 D HA -0.224 4.419 4.640 0.006 0.000 0.169 277 D C 1.357 177.742 176.300 0.141 0.000 1.214 277 D CA 1.939 56.021 54.000 0.138 0.000 1.131 277 D CB -1.408 39.447 40.800 0.091 0.000 1.157 277 D HN 0.691 nan 8.370 nan 0.000 0.455 278 D N 0.994 121.477 120.400 0.139 0.000 2.178 278 D HA -0.098 4.546 4.640 0.006 0.000 0.202 278 D C 1.239 177.627 176.300 0.148 0.000 0.974 278 D CA 0.758 54.833 54.000 0.124 0.000 0.841 278 D CB 0.251 41.115 40.800 0.105 0.000 0.953 278 D HN 0.374 nan 8.370 nan 0.000 0.478 279 I N 0.908 121.600 120.570 0.204 0.000 2.465 279 I HA 0.253 4.427 4.170 0.006 0.000 0.291 279 I C -0.109 176.241 176.117 0.388 0.000 1.014 279 I CA -0.560 60.878 61.300 0.230 0.000 1.093 279 I CB 2.182 40.272 38.000 0.150 0.000 1.267 279 I HN -0.042 nan 8.210 nan 0.000 0.431 280 T N 3.045 117.806 114.554 0.345 0.000 2.865 280 T HA 0.633 4.987 4.350 0.006 0.000 0.294 280 T C -0.782 174.134 174.700 0.361 0.000 1.119 280 T CA -0.892 61.417 62.100 0.348 0.000 1.007 280 T CB 2.275 71.274 68.868 0.219 0.000 1.225 280 T HN 0.559 nan 8.240 nan 0.000 0.515 281 M N 2.313 122.093 119.600 0.301 0.000 2.294 281 M HA 0.695 5.178 4.480 0.006 0.000 0.335 281 M C -1.853 174.620 176.300 0.288 0.000 1.079 281 M CA -0.747 54.776 55.300 0.371 0.000 0.982 281 M CB 1.437 34.308 32.600 0.453 0.000 1.651 281 M HN 0.594 nan 8.290 nan 0.000 0.437 282 V N 6.423 126.543 119.914 0.343 0.000 2.448 282 V HA 0.485 4.609 4.120 0.006 0.000 0.295 282 V C -0.518 175.796 176.094 0.367 0.000 1.025 282 V CA -0.702 61.761 62.300 0.272 0.000 0.859 282 V CB 1.790 33.742 31.823 0.216 0.000 0.988 282 V HN 0.795 nan 8.190 nan 0.000 0.431 283 L N 5.737 127.097 121.223 0.228 0.000 2.307 283 L HA 0.620 4.964 4.340 0.006 0.000 0.284 283 L C -0.964 176.090 176.870 0.307 0.000 1.023 283 L CA -0.666 54.358 54.840 0.306 0.000 0.810 283 L CB 1.847 43.990 42.059 0.140 0.000 1.231 283 L HN 0.436 nan 8.230 nan 0.000 0.423 284 I N 4.299 125.108 120.570 0.399 0.000 2.354 284 I HA 0.283 4.457 4.170 0.006 0.000 0.286 284 I C -0.562 175.726 176.117 0.284 0.000 1.007 284 I CA -0.150 61.318 61.300 0.280 0.000 1.167 284 I CB 1.602 39.800 38.000 0.330 0.000 1.320 284 I HN 0.315 nan 8.210 nan 0.000 0.458 285 L N 10.577 131.917 121.223 0.195 0.000 2.294 285 L HA 0.715 5.059 4.340 0.006 0.000 0.283 285 L C -2.451 174.412 176.870 -0.012 0.000 1.015 285 L CA -1.843 53.044 54.840 0.079 0.000 0.831 285 L CB 1.024 42.973 42.059 -0.184 0.000 1.217 285 L HN 0.286 nan 8.230 nan 0.000 0.420 286 P HA 0.230 nan 4.420 nan 0.000 0.278 286 P C -1.347 175.922 177.300 -0.051 0.000 1.258 286 P CA -0.678 62.412 63.100 -0.017 0.000 0.811 286 P CB 0.786 32.505 31.700 0.030 0.000 1.063 287 K N 1.540 121.907 120.400 -0.055 0.000 2.319 287 K HA 0.173 4.497 4.320 0.006 0.000 0.265 287 K C -1.953 174.609 176.600 -0.064 0.000 1.000 287 K CA -1.181 55.065 56.287 -0.068 0.000 0.943 287 K CB -0.717 31.749 32.500 -0.057 0.000 0.950 287 K HN 0.115 nan 8.250 nan 0.000 0.485 288 P HA -0.245 nan 4.420 nan 0.000 0.219 288 P C 0.109 177.368 177.300 -0.069 0.000 1.158 288 P CA 1.669 64.712 63.100 -0.096 0.000 0.895 288 P CB 0.068 31.692 31.700 -0.127 0.000 0.792 289 E N -1.182 118.984 120.200 -0.057 0.000 2.511 289 E HA -0.024 4.329 4.350 0.006 0.000 0.196 289 E C 0.704 177.290 176.600 -0.022 0.000 1.066 289 E CA 0.579 56.955 56.400 -0.040 0.000 0.871 289 E CB -0.387 29.291 29.700 -0.038 0.000 0.863 289 E HN 0.260 nan 8.360 nan 0.000 0.520 290 K N 1.307 121.697 120.400 -0.016 0.000 2.323 290 K HA 0.278 4.602 4.320 0.006 0.000 0.259 290 K C -0.549 176.059 176.600 0.014 0.000 0.947 290 K CA -0.523 55.765 56.287 0.003 0.000 0.819 290 K CB 1.114 33.619 32.500 0.009 0.000 1.109 290 K HN 0.072 nan 8.250 nan 0.000 0.429 291 S N 3.708 119.421 115.700 0.022 0.000 2.564 291 S HA 0.022 4.496 4.470 0.006 0.000 0.278 291 S C 1.156 175.789 174.600 0.056 0.000 1.333 291 S CA -0.707 57.513 58.200 0.033 0.000 1.048 291 S CB 1.025 64.242 63.200 0.028 0.000 0.900 291 S HN 0.697 nan 8.310 nan 0.000 0.505 292 L N 2.888 124.153 121.223 0.070 0.000 2.187 292 L HA 0.015 4.359 4.340 0.006 0.000 0.213 292 L C 2.501 179.433 176.870 0.104 0.000 1.100 292 L CA 2.114 57.015 54.840 0.101 0.000 0.765 292 L CB -1.461 40.665 42.059 0.112 0.000 0.904 292 L HN 0.973 nan 8.230 nan 0.000 0.437 293 A N -0.799 122.065 122.820 0.073 0.000 1.902 293 A HA -0.237 4.087 4.320 0.006 0.000 0.217 293 A C 2.350 179.974 177.584 0.065 0.000 1.181 293 A CA 1.877 53.950 52.037 0.060 0.000 0.623 293 A CB -0.433 18.584 19.000 0.029 0.000 0.818 293 A HN 0.487 nan 8.150 nan 0.000 0.443 294 K N -0.503 119.935 120.400 0.063 0.000 2.097 294 K HA -0.039 4.284 4.320 0.006 0.000 0.205 294 K C 1.848 178.508 176.600 0.099 0.000 1.050 294 K CA 1.278 57.604 56.287 0.065 0.000 0.938 294 K CB -0.272 32.260 32.500 0.053 0.000 0.718 294 K HN 0.325 nan 8.250 nan 0.000 0.442 295 V N 1.833 121.825 119.914 0.130 0.000 2.307 295 V HA -0.218 3.905 4.120 0.006 0.000 0.245 295 V C 1.879 178.092 176.094 0.198 0.000 1.045 295 V CA 1.720 64.137 62.300 0.195 0.000 1.024 295 V CB -0.411 31.546 31.823 0.223 0.000 0.651 295 V HN 0.327 nan 8.190 nan 0.000 0.449 296 E N 0.501 120.811 120.200 0.184 0.000 2.160 296 E HA -0.233 4.121 4.350 0.006 0.000 0.195 296 E C 2.329 179.016 176.600 0.145 0.000 0.991 296 E CA 1.702 58.227 56.400 0.209 0.000 0.810 296 E CB -0.219 29.623 29.700 0.237 0.000 0.742 296 E HN 0.703 nan 8.360 nan 0.000 0.466 297 K N 1.107 121.563 120.400 0.093 0.000 2.361 297 K HA -0.001 4.322 4.320 0.006 0.000 0.196 297 K C 1.495 178.121 176.600 0.042 0.000 1.039 297 K CA 0.733 57.049 56.287 0.047 0.000 1.001 297 K CB -0.165 32.347 32.500 0.020 0.000 0.795 297 K HN 0.111 nan 8.250 nan 0.000 0.495 298 E N -0.523 119.716 120.200 0.065 0.000 2.400 298 E HA 0.136 4.490 4.350 0.006 0.000 0.195 298 E C -0.110 176.489 176.600 -0.003 0.000 1.012 298 E CA -0.490 55.937 56.400 0.045 0.000 0.875 298 E CB 0.091 29.846 29.700 0.092 0.000 0.859 298 E HN 0.354 nan 8.360 nan 0.000 0.498 299 L N 1.934 123.170 121.223 0.022 0.000 2.499 299 L HA 0.039 4.383 4.340 0.006 0.000 0.273 299 L C 0.132 176.966 176.870 -0.061 0.000 1.195 299 L CA 0.947 55.763 54.840 -0.040 0.000 0.882 299 L CB 0.483 42.584 42.059 0.070 0.000 1.133 299 L HN 0.002 nan 8.230 nan 0.000 0.483 300 T N 1.117 115.587 114.554 -0.140 0.000 2.853 300 T HA 0.474 4.828 4.350 0.006 0.000 0.311 300 T C -2.285 172.333 174.700 -0.137 0.000 1.307 300 T CA -1.332 60.706 62.100 -0.104 0.000 1.019 300 T CB 1.535 70.340 68.868 -0.104 0.000 1.264 300 T HN 0.267 nan 8.240 nan 0.000 0.497 301 P HA -0.129 nan 4.420 nan 0.000 0.216 301 P C 1.381 178.601 177.300 -0.134 0.000 1.150 301 P CA 1.220 64.266 63.100 -0.090 0.000 0.843 301 P CB 0.162 31.828 31.700 -0.055 0.000 0.787 302 E N -0.328 119.791 120.200 -0.135 0.000 1.999 302 E HA -0.104 4.249 4.350 0.006 0.000 0.194 302 E C 2.223 178.677 176.600 -0.242 0.000 0.995 302 E CA 1.002 57.316 56.400 -0.145 0.000 0.825 302 E CB -1.609 28.024 29.700 -0.112 0.000 0.777 302 E HN 0.019 nan 8.360 nan 0.000 0.459 303 V N 2.030 121.750 119.914 -0.324 0.000 2.311 303 V HA -0.288 3.836 4.120 0.006 0.000 0.256 303 V C 2.576 178.128 176.094 -0.902 0.000 1.077 303 V CA 2.099 64.047 62.300 -0.587 0.000 1.067 303 V CB -0.759 30.685 31.823 -0.632 0.000 0.659 303 V HN 0.151 nan 8.190 nan 0.000 0.451 304 L N -0.097 120.713 121.223 -0.688 0.000 1.994 304 L HA -0.186 4.158 4.340 0.006 0.000 0.208 304 L C 2.438 179.127 176.870 -0.300 0.000 1.071 304 L CA 2.398 56.894 54.840 -0.573 0.000 0.745 304 L CB -1.038 40.776 42.059 -0.409 0.000 0.892 304 L HN 0.382 nan 8.230 nan 0.000 0.431 305 Q N -0.417 119.254 119.800 -0.215 0.000 2.124 305 Q HA -0.221 4.123 4.340 0.006 0.000 0.202 305 Q C 2.203 178.168 176.000 -0.058 0.000 0.977 305 Q CA 1.655 57.400 55.803 -0.097 0.000 0.850 305 Q CB -0.344 28.355 28.738 -0.064 0.000 0.901 305 Q HN 0.518 nan 8.270 nan 0.000 0.429 306 E N -0.860 119.269 120.200 -0.118 0.000 2.085 306 E HA -0.173 4.181 4.350 0.006 0.000 0.194 306 E C 1.495 178.153 176.600 0.098 0.000 0.994 306 E CA 1.177 57.551 56.400 -0.042 0.000 0.801 306 E CB -0.231 29.407 29.700 -0.104 0.000 0.743 306 E HN 0.481 nan 8.360 nan 0.000 0.453 307 W N 0.943 122.212 121.300 -0.050 0.000 2.354 307 W HA -0.076 4.589 4.660 0.007 0.000 0.315 307 W C 2.438 178.921 176.519 -0.061 0.000 1.206 307 W CA 0.373 57.682 57.345 -0.061 0.000 1.290 307 W CB -1.339 28.075 29.460 -0.077 0.000 1.152 307 W HN 0.090 nan 8.180 nan 0.000 0.489 308 L N 0.140 121.470 121.223 0.179 0.000 2.129 308 L HA -0.245 4.099 4.340 0.006 0.000 0.212 308 L C 2.022 178.933 176.870 0.069 0.000 1.087 308 L CA 1.361 56.254 54.840 0.088 0.000 0.757 308 L CB -0.757 41.327 42.059 0.042 0.000 0.896 308 L HN -0.077 nan 8.230 nan 0.000 0.434 309 D N 0.046 120.488 120.400 0.069 0.000 2.123 309 D HA -0.147 4.497 4.640 0.006 0.000 0.200 309 D C 1.969 178.300 176.300 0.052 0.000 0.976 309 D CA 1.076 55.108 54.000 0.054 0.000 0.831 309 D CB -0.084 40.744 40.800 0.047 0.000 0.974 309 D HN 0.441 nan 8.370 nan 0.000 0.469 310 E N 0.455 120.693 120.200 0.063 0.000 2.409 310 E HA -0.025 4.329 4.350 0.006 0.000 0.198 310 E C 0.508 177.120 176.600 0.019 0.000 1.024 310 E CA -0.098 56.328 56.400 0.043 0.000 0.861 310 E CB 0.056 29.788 29.700 0.053 0.000 0.788 310 E HN 0.287 nan 8.360 nan 0.000 0.521 311 L N 1.935 123.172 121.223 0.023 0.000 2.601 311 L HA -0.035 4.309 4.340 0.006 0.000 0.277 311 L C 0.304 177.192 176.870 0.031 0.000 1.219 311 L CA 0.493 55.340 54.840 0.012 0.000 0.915 311 L CB 0.229 42.306 42.059 0.030 0.000 1.160 311 L HN -0.046 nan 8.230 nan 0.000 0.494 312 E N 3.497 123.723 120.200 0.044 0.000 2.275 312 E HA 0.213 4.567 4.350 0.006 0.000 0.270 312 E C -0.786 175.865 176.600 0.085 0.000 0.882 312 E CA -0.819 55.615 56.400 0.056 0.000 0.758 312 E CB 1.916 31.646 29.700 0.050 0.000 1.195 312 E HN 0.639 nan 8.360 nan 0.000 0.419 313 E N 2.304 122.541 120.200 0.062 0.000 2.481 313 E HA 0.176 4.529 4.350 0.006 0.000 0.263 313 E C 0.153 176.791 176.600 0.065 0.000 0.992 313 E CA 0.670 57.103 56.400 0.055 0.000 0.938 313 E CB 0.586 30.293 29.700 0.011 0.000 0.933 313 E HN 0.411 nan 8.360 nan 0.000 0.453 314 M N 1.618 121.258 119.600 0.066 0.000 2.643 314 M HA 0.229 4.713 4.480 0.006 0.000 0.276 314 M C -1.314 174.999 176.300 0.022 0.000 1.200 314 M CA -0.730 54.600 55.300 0.050 0.000 0.863 314 M CB 2.008 34.659 32.600 0.086 0.000 1.711 314 M HN 0.288 nan 8.290 nan 0.000 0.492 315 M N 4.603 124.201 119.600 -0.003 0.000 2.077 315 M HA 0.535 5.019 4.480 0.006 0.000 0.348 315 M C -0.992 175.297 176.300 -0.018 0.000 1.252 315 M CA -0.134 55.159 55.300 -0.011 0.000 1.096 315 M CB -0.212 32.375 32.600 -0.021 0.000 1.568 315 M HN 0.628 nan 8.290 nan 0.000 0.456 316 L N 1.523 122.748 121.223 0.004 0.000 2.409 316 L HA 0.844 5.188 4.340 0.006 0.000 0.255 316 L C -1.110 175.742 176.870 -0.031 0.000 1.027 316 L CA -1.141 53.661 54.840 -0.062 0.000 0.834 316 L CB 1.894 43.822 42.059 -0.220 0.000 1.426 316 L HN 0.158 nan 8.230 nan 0.000 0.411 317 V N 1.791 121.688 119.914 -0.027 0.000 2.439 317 V HA 0.407 4.531 4.120 0.006 0.000 0.282 317 V C 0.035 176.142 176.094 0.022 0.000 1.039 317 V CA -0.416 61.889 62.300 0.010 0.000 0.913 317 V CB 1.595 33.525 31.823 0.179 0.000 0.983 317 V HN 0.516 nan 8.190 nan 0.000 0.460 318 V N 4.998 124.858 119.914 -0.090 0.000 2.350 318 V HA 0.381 4.505 4.120 0.006 0.000 0.285 318 V C -0.701 175.462 176.094 0.115 0.000 1.014 318 V CA -0.620 61.665 62.300 -0.026 0.000 0.831 318 V CB 1.146 32.764 31.823 -0.341 0.000 1.000 318 V HN 0.881 nan 8.190 nan 0.000 0.433 319 H N 4.952 124.123 119.070 0.168 0.000 2.541 319 H HA 0.717 5.277 4.556 0.007 0.000 0.316 319 H C -0.199 175.202 175.328 0.123 0.000 1.043 319 H CA -0.061 56.092 56.048 0.175 0.000 1.232 319 H CB 1.329 31.172 29.762 0.135 0.000 1.406 319 H HN 0.644 nan 8.280 nan 0.000 0.469 320 M N 5.544 125.218 119.600 0.124 0.000 2.433 320 M HA 0.475 4.959 4.480 0.006 0.000 0.290 320 M C -3.136 173.205 176.300 0.068 0.000 1.173 320 M CA -1.967 53.380 55.300 0.080 0.000 0.905 320 M CB 2.866 35.464 32.600 -0.004 0.000 1.692 320 M HN 0.329 nan 8.290 nan 0.000 0.462 321 P HA 0.332 nan 4.420 nan 0.000 0.284 321 P C -1.468 176.012 177.300 0.300 0.000 1.258 321 P CA -0.323 62.939 63.100 0.270 0.000 0.824 321 P CB 0.988 32.918 31.700 0.384 0.000 1.038 322 R N 1.843 122.441 120.500 0.162 0.000 2.539 322 R HA 0.553 4.896 4.340 0.006 0.000 0.275 322 R C 0.012 176.454 176.300 0.237 0.000 1.077 322 R CA 0.101 56.263 56.100 0.104 0.000 1.097 322 R CB 0.137 30.456 30.300 0.033 0.000 1.018 322 R HN 0.580 nan 8.270 nan 0.000 0.483 323 F N -1.485 118.494 119.950 0.047 0.000 2.741 323 F HA 0.514 5.045 4.527 0.006 0.000 0.311 323 F C -1.440 174.357 175.800 -0.005 0.000 1.149 323 F CA -1.365 56.637 58.000 0.003 0.000 0.930 323 F CB 1.543 40.536 39.000 -0.011 0.000 1.312 323 F HN 0.327 nan 8.300 nan 0.000 0.450 324 R N 2.769 123.389 120.500 0.200 0.000 2.515 324 R HA 0.702 5.046 4.340 0.006 0.000 0.291 324 R C -2.275 174.116 176.300 0.151 0.000 1.046 324 R CA -0.611 55.544 56.100 0.092 0.000 0.914 324 R CB 1.625 31.942 30.300 0.028 0.000 1.191 324 R HN 0.891 nan 8.270 nan 0.000 0.435 325 I N 3.561 124.203 120.570 0.119 0.000 2.382 325 I HA 0.292 4.466 4.170 0.006 0.000 0.285 325 I C -0.370 175.830 176.117 0.137 0.000 1.007 325 I CA -0.535 60.818 61.300 0.089 0.000 1.142 325 I CB 1.842 39.869 38.000 0.046 0.000 1.289 325 I HN 0.557 nan 8.210 nan 0.000 0.453 326 E N 5.935 126.238 120.200 0.172 0.000 2.158 326 E HA 0.300 4.654 4.350 0.006 0.000 0.271 326 E C -1.465 175.288 176.600 0.255 0.000 0.911 326 E CA -0.538 56.008 56.400 0.242 0.000 0.767 326 E CB 1.508 31.277 29.700 0.116 0.000 1.120 326 E HN 0.430 nan 8.360 nan 0.000 0.405 327 D N 3.205 123.825 120.400 0.366 0.000 2.575 327 D HA 0.339 4.983 4.640 0.006 0.000 0.250 327 D C -1.254 175.336 176.300 0.483 0.000 1.279 327 D CA -0.375 53.850 54.000 0.376 0.000 0.925 327 D CB 1.536 42.572 40.800 0.394 0.000 1.261 327 D HN 0.585 nan 8.370 nan 0.000 0.567 328 G N 3.487 112.539 108.800 0.420 0.000 3.039 328 G HA2 0.515 4.479 3.960 0.006 0.000 0.329 328 G HA3 0.515 4.479 3.960 0.006 0.000 0.329 328 G C -0.399 174.797 174.900 0.493 0.000 1.361 328 G CA -0.632 44.710 45.100 0.404 0.000 1.088 328 G HN 0.350 nan 8.290 nan 0.000 0.501 329 F N 0.535 120.660 119.950 0.291 0.000 2.613 329 F HA 0.829 5.360 4.527 0.006 0.000 0.342 329 F C 0.291 176.283 175.800 0.320 0.000 1.066 329 F CA -1.579 56.586 58.000 0.276 0.000 1.002 329 F CB 2.025 41.160 39.000 0.225 0.000 1.319 329 F HN 0.201 nan 8.300 nan 0.000 0.495 330 S N 1.718 117.572 115.700 0.258 0.000 2.404 330 S HA 0.339 4.813 4.470 0.006 0.000 0.309 330 S C 0.677 175.285 174.600 0.013 0.000 1.076 330 S CA -0.800 57.406 58.200 0.010 0.000 1.095 330 S CB -0.014 63.182 63.200 -0.007 0.000 0.972 330 S HN 0.770 nan 8.310 nan 0.000 0.484 331 L N 4.531 125.712 121.223 -0.071 0.000 2.261 331 L HA -0.098 4.246 4.340 0.006 0.000 0.216 331 L C 2.681 179.585 176.870 0.057 0.000 1.114 331 L CA 0.867 55.759 54.840 0.087 0.000 0.777 331 L CB -0.438 41.684 42.059 0.105 0.000 0.910 331 L HN 0.682 nan 8.230 nan 0.000 0.440 332 K N 0.944 121.257 120.400 -0.145 0.000 1.988 332 K HA -0.301 4.023 4.320 0.006 0.000 0.221 332 K C 2.334 178.701 176.600 -0.387 0.000 1.053 332 K CA 2.623 58.580 56.287 -0.550 0.000 0.959 332 K CB -0.185 31.891 32.500 -0.707 0.000 0.728 332 K HN 0.356 nan 8.250 nan 0.000 0.447 333 E N 1.098 121.172 120.200 -0.211 0.000 2.049 333 E HA -0.323 4.031 4.350 0.006 0.000 0.198 333 E C 1.865 178.435 176.600 -0.050 0.000 1.007 333 E CA 2.110 58.440 56.400 -0.116 0.000 0.809 333 E CB -0.919 28.751 29.700 -0.050 0.000 0.749 333 E HN 0.510 nan 8.360 nan 0.000 0.450 334 Q N -0.200 119.610 119.800 0.016 0.000 2.045 334 Q HA -0.094 4.250 4.340 0.006 0.000 0.206 334 Q C 2.275 178.294 176.000 0.033 0.000 0.991 334 Q CA 2.056 57.880 55.803 0.036 0.000 0.851 334 Q CB -0.408 28.416 28.738 0.143 0.000 0.911 334 Q HN 0.647 nan 8.270 nan 0.000 0.418 335 L N -0.140 121.140 121.223 0.094 0.000 2.141 335 L HA -0.200 4.144 4.340 0.006 0.000 0.209 335 L C 2.481 179.405 176.870 0.090 0.000 1.094 335 L CA 1.136 56.032 54.840 0.093 0.000 0.763 335 L CB -0.414 41.750 42.059 0.175 0.000 0.908 335 L HN 0.341 nan 8.230 nan 0.000 0.437 336 Q N -0.287 119.549 119.800 0.061 0.000 2.119 336 Q HA -0.240 4.103 4.340 0.006 0.000 0.201 336 Q C 1.691 177.711 176.000 0.033 0.000 0.972 336 Q CA 1.709 57.556 55.803 0.075 0.000 0.847 336 Q CB -0.154 28.578 28.738 -0.009 0.000 0.903 336 Q HN 0.422 nan 8.270 nan 0.000 0.433 337 D N 0.406 120.809 120.400 0.006 0.000 2.144 337 D HA -0.103 4.541 4.640 0.006 0.000 0.199 337 D C 1.538 177.841 176.300 0.005 0.000 0.984 337 D CA 1.048 55.055 54.000 0.012 0.000 0.834 337 D CB 0.109 40.922 40.800 0.020 0.000 0.955 337 D HN 0.141 nan 8.370 nan 0.000 0.465 338 M N -1.515 118.052 119.600 -0.056 0.000 2.659 338 M HA 0.138 4.622 4.480 0.006 0.000 0.243 338 M C 1.312 177.563 176.300 -0.082 0.000 1.111 338 M CA 0.958 56.169 55.300 -0.147 0.000 1.070 338 M CB 0.640 33.063 32.600 -0.295 0.000 1.525 338 M HN 0.283 nan 8.290 nan 0.000 0.517 339 G N 0.658 109.446 108.800 -0.020 0.000 2.284 339 G HA2 -0.194 3.770 3.960 0.006 0.000 0.201 339 G HA3 -0.194 3.770 3.960 0.006 0.000 0.201 339 G C -0.094 174.821 174.900 0.025 0.000 0.998 339 G CA -0.594 44.504 45.100 -0.002 0.000 0.651 339 G HN 0.306 nan 8.290 nan 0.000 0.489 340 L N 2.997 124.252 121.223 0.053 0.000 2.415 340 L HA 0.589 4.932 4.340 0.006 0.000 0.269 340 L C 1.527 178.537 176.870 0.233 0.000 1.244 340 L CA 0.259 55.162 54.840 0.105 0.000 1.113 340 L CB 0.661 42.801 42.059 0.135 0.000 1.352 340 L HN 0.058 nan 8.230 nan 0.000 0.433 341 V N 1.634 121.637 119.914 0.149 0.000 2.492 341 V HA -0.052 4.072 4.120 0.006 0.000 0.241 341 V C 1.623 177.807 176.094 0.149 0.000 1.041 341 V CA 1.056 63.466 62.300 0.184 0.000 1.057 341 V CB -0.262 31.620 31.823 0.098 0.000 0.711 341 V HN 0.570 nan 8.190 nan 0.000 0.468 342 D N 0.642 121.077 120.400 0.058 0.000 2.104 342 D HA -0.196 4.448 4.640 0.006 0.000 0.194 342 D C 1.905 178.195 176.300 -0.016 0.000 0.994 342 D CA 1.220 55.232 54.000 0.021 0.000 0.830 342 D CB -0.434 40.369 40.800 0.004 0.000 0.959 342 D HN 0.266 nan 8.370 nan 0.000 0.452 343 L N -0.441 120.710 121.223 -0.120 0.000 2.270 343 L HA -0.181 4.163 4.340 0.006 0.000 0.217 343 L C 1.229 177.940 176.870 -0.265 0.000 1.107 343 L CA 1.579 56.260 54.840 -0.265 0.000 0.772 343 L CB -0.295 41.478 42.059 -0.476 0.000 0.902 343 L HN -0.004 nan 8.230 nan 0.000 0.439 344 F N -2.198 117.819 119.950 0.112 0.000 2.731 344 F HA 0.297 4.828 4.527 0.006 0.000 0.298 344 F C 1.503 177.306 175.800 0.004 0.000 1.106 344 F CA -0.024 58.051 58.000 0.126 0.000 1.329 344 F CB -0.462 38.592 39.000 0.089 0.000 1.100 344 F HN -0.072 nan 8.300 nan 0.000 0.592 345 S N 1.513 117.261 115.700 0.079 0.000 2.465 345 S HA 0.211 4.685 4.470 0.006 0.000 0.279 345 S C -1.634 172.799 174.600 -0.279 0.000 1.201 345 S CA -1.457 56.684 58.200 -0.099 0.000 1.053 345 S CB 0.990 64.172 63.200 -0.031 0.000 0.953 345 S HN -0.142 nan 8.310 nan 0.000 0.488 346 P HA -0.021 nan 4.420 nan 0.000 0.216 346 P C 1.290 178.478 177.300 -0.186 0.000 1.150 346 P CA 1.561 64.278 63.100 -0.637 0.000 0.837 346 P CB 0.139 31.457 31.700 -0.637 0.000 0.786 347 E N -0.635 119.484 120.200 -0.135 0.000 2.442 347 E HA 0.113 4.467 4.350 0.006 0.000 0.195 347 E C 1.810 178.392 176.600 -0.030 0.000 1.030 347 E CA 1.355 57.721 56.400 -0.057 0.000 0.869 347 E CB -1.114 28.558 29.700 -0.047 0.000 0.857 347 E HN 0.352 nan 8.360 nan 0.000 0.505 348 K N -0.029 120.351 120.400 -0.032 0.000 2.412 348 K HA 0.423 4.747 4.320 0.006 0.000 0.202 348 K C 1.303 177.905 176.600 0.003 0.000 1.102 348 K CA 0.560 56.842 56.287 -0.009 0.000 1.027 348 K CB 0.103 32.600 32.500 -0.005 0.000 0.931 348 K HN 0.333 nan 8.250 nan 0.000 0.557 349 S N 1.259 116.965 115.700 0.011 0.000 2.549 349 S HA 0.336 4.810 4.470 0.006 0.000 0.286 349 S C -0.440 174.177 174.600 0.028 0.000 1.314 349 S CA 0.064 58.285 58.200 0.034 0.000 1.062 349 S CB 0.376 63.645 63.200 0.115 0.000 0.865 349 S HN 0.341 nan 8.310 nan 0.000 0.498 350 K N 4.587 124.992 120.400 0.008 0.000 2.579 350 K HA 0.450 4.774 4.320 0.006 0.000 0.225 350 K C -0.980 175.609 176.600 -0.019 0.000 0.992 350 K CA 0.042 56.330 56.287 0.002 0.000 1.018 350 K CB 0.790 33.294 32.500 0.005 0.000 1.249 350 K HN 0.607 nan 8.250 nan 0.000 0.489 351 L N 4.734 125.940 121.223 -0.027 0.000 2.839 351 L HA 0.307 4.651 4.340 0.006 0.000 0.259 351 L C -1.813 175.018 176.870 -0.064 0.000 1.369 351 L CA -1.522 53.278 54.840 -0.067 0.000 0.845 351 L CB 1.188 43.183 42.059 -0.106 0.000 1.181 351 L HN 0.317 nan 8.230 nan 0.000 0.529 352 P HA -0.136 nan 4.420 nan 0.000 0.219 352 P C 1.647 178.924 177.300 -0.038 0.000 1.146 352 P CA 1.049 64.133 63.100 -0.026 0.000 0.808 352 P CB 0.296 31.990 31.700 -0.010 0.000 0.779 353 G N -1.206 107.559 108.800 -0.058 0.000 2.650 353 G HA2 -0.114 3.850 3.960 0.006 0.000 0.214 353 G HA3 -0.114 3.850 3.960 0.006 0.000 0.214 353 G C 1.097 175.912 174.900 -0.143 0.000 1.136 353 G CA 0.321 45.388 45.100 -0.055 0.000 0.789 353 G HN 0.236 nan 8.290 nan 0.000 0.536 354 I N 0.442 120.862 120.570 -0.250 0.000 3.708 354 I HA 0.148 4.322 4.170 0.006 0.000 0.302 354 I C 1.330 177.438 176.117 -0.016 0.000 1.255 354 I CA 0.040 61.105 61.300 -0.391 0.000 1.362 354 I CB 0.388 38.017 38.000 -0.617 0.000 1.100 354 I HN 0.041 nan 8.210 nan 0.000 0.434 362 L N 1.032 122.312 121.223 0.096 0.000 2.329 362 L HA 0.633 4.977 4.340 0.006 0.000 0.279 362 L C -1.267 175.671 176.870 0.112 0.000 1.014 362 L CA -0.260 54.620 54.840 0.067 0.000 0.814 362 L CB 1.055 43.131 42.059 0.029 0.000 1.257 362 L HN 0.490 nan 8.230 nan 0.000 0.424 363 Y N 2.133 122.431 120.300 -0.004 0.000 2.677 363 Y HA 0.768 5.322 4.550 0.006 0.000 0.334 363 Y C -1.372 174.514 175.900 -0.023 0.000 1.154 363 Y CA -1.578 56.507 58.100 -0.025 0.000 1.070 363 Y CB 0.924 39.387 38.460 0.005 0.000 1.294 363 Y HN 0.175 nan 8.280 nan 0.000 0.475 364 V N 2.798 122.754 119.914 0.069 0.000 2.385 364 V HA 0.159 4.283 4.120 0.006 0.000 0.269 364 V C 0.776 177.027 176.094 0.261 0.000 1.043 364 V CA 0.493 62.800 62.300 0.011 0.000 0.906 364 V CB 0.440 32.234 31.823 -0.049 0.000 0.995 364 V HN 1.010 nan 8.190 nan 0.000 0.467 365 S N 2.619 118.322 115.700 0.004 0.000 2.395 365 S HA 0.041 4.515 4.470 0.006 0.000 0.225 365 S C 0.501 175.182 174.600 0.134 0.000 1.027 365 S CA 0.451 58.740 58.200 0.149 0.000 0.965 365 S CB 0.214 63.379 63.200 -0.058 0.000 0.812 365 S HN 0.753 nan 8.310 nan 0.000 0.482 366 D N -0.577 119.850 120.400 0.045 0.000 2.648 366 D HA 0.627 5.271 4.640 0.006 0.000 0.244 366 D C -2.036 174.169 176.300 -0.159 0.000 1.244 366 D CA -0.262 53.669 54.000 -0.115 0.000 0.772 366 D CB 2.121 42.748 40.800 -0.287 0.000 1.379 366 D HN 0.314 nan 8.370 nan 0.000 0.428 367 A N 1.698 124.322 122.820 -0.325 0.000 2.353 367 A HA 0.679 5.003 4.320 0.006 0.000 0.299 367 A C -1.633 175.711 177.584 -0.400 0.000 1.089 367 A CA -0.518 51.422 52.037 -0.163 0.000 0.736 367 A CB 0.455 19.599 19.000 0.240 0.000 1.195 367 A HN 0.263 nan 8.150 nan 0.000 0.447 368 F N 1.542 121.569 119.950 0.129 0.000 2.449 368 F HA 0.500 5.031 4.527 0.006 0.000 0.342 368 F C 0.222 176.090 175.800 0.112 0.000 1.127 368 F CA -0.213 57.844 58.000 0.096 0.000 0.975 368 F CB 1.879 40.941 39.000 0.103 0.000 1.146 368 F HN 0.757 nan 8.300 nan 0.000 0.444 369 H N 2.895 122.015 119.070 0.084 0.000 2.495 369 H HA 0.637 5.196 4.556 0.006 0.000 0.348 369 H C -1.268 174.139 175.328 0.131 0.000 1.113 369 H CA -0.892 55.178 56.048 0.035 0.000 1.195 369 H CB 1.552 31.207 29.762 -0.178 0.000 1.521 369 H HN 0.622 nan 8.280 nan 0.000 0.509 370 K N 3.830 123.961 120.400 -0.448 0.000 2.588 370 K HA 0.707 5.031 4.320 0.006 0.000 0.250 370 K C -2.091 174.459 176.600 -0.084 0.000 0.972 370 K CA -0.529 55.685 56.287 -0.122 0.000 0.821 370 K CB 1.236 33.786 32.500 0.084 0.000 1.249 370 K HN 0.709 nan 8.250 nan 0.000 0.442 371 A N 3.088 126.002 122.820 0.155 0.000 2.556 371 A HA 0.897 5.221 4.320 0.006 0.000 0.294 371 A C -1.696 176.277 177.584 0.649 0.000 1.091 371 A CA -0.756 51.518 52.037 0.394 0.000 0.704 371 A CB 0.841 20.105 19.000 0.440 0.000 1.300 371 A HN 0.714 nan 8.150 nan 0.000 0.406 372 F N -0.318 119.920 119.950 0.479 0.000 2.654 372 F HA 0.813 5.343 4.527 0.006 0.000 0.308 372 F C -1.922 173.863 175.800 -0.025 0.000 1.108 372 F CA -1.297 56.850 58.000 0.245 0.000 0.957 372 F CB 1.449 40.500 39.000 0.085 0.000 1.309 372 F HN 0.612 nan 8.300 nan 0.000 0.446 373 L N 2.372 123.335 121.223 -0.433 0.000 2.410 373 L HA 0.626 4.970 4.340 0.006 0.000 0.270 373 L C -1.426 175.299 176.870 -0.242 0.000 0.983 373 L CA -0.361 54.105 54.840 -0.623 0.000 0.822 373 L CB 2.049 43.336 42.059 -1.287 0.000 1.285 373 L HN 0.900 nan 8.230 nan 0.000 0.409 374 E N 3.672 123.770 120.200 -0.170 0.000 2.216 374 E HA 0.607 4.961 4.350 0.006 0.000 0.260 374 E C -1.807 174.641 176.600 -0.253 0.000 0.880 374 E CA -0.605 55.706 56.400 -0.149 0.000 0.765 374 E CB 1.840 31.567 29.700 0.045 0.000 1.174 374 E HN 0.536 nan 8.360 nan 0.000 0.417 375 V N 5.216 124.848 119.914 -0.470 0.000 2.513 375 V HA 0.500 4.624 4.120 0.006 0.000 0.299 375 V C 0.036 176.055 176.094 -0.125 0.000 1.035 375 V CA -0.556 61.556 62.300 -0.314 0.000 0.889 375 V CB 1.556 33.043 31.823 -0.560 0.000 0.988 375 V HN 0.817 nan 8.190 nan 0.000 0.440 376 N N 2.864 121.620 118.700 0.093 0.000 3.439 376 N HA 0.262 5.006 4.740 0.006 0.000 0.313 376 N C 0.410 176.106 175.510 0.311 0.000 1.598 376 N CA -0.670 52.449 53.050 0.114 0.000 0.830 376 N CB 1.090 39.611 38.487 0.057 0.000 1.849 376 N HN 0.243 nan 8.380 nan 0.000 0.598 377 E N 0.054 120.393 120.200 0.232 0.000 2.110 377 E HA -0.076 4.278 4.350 0.006 0.000 0.193 377 E C 1.032 177.967 176.600 0.559 0.000 0.988 377 E CA 1.472 58.100 56.400 0.380 0.000 0.804 377 E CB 0.042 29.891 29.700 0.248 0.000 0.745 377 E HN 0.497 nan 8.360 nan 0.000 0.458 378 E N -0.677 119.738 120.200 0.359 0.000 2.112 378 E HA 0.079 4.433 4.350 0.006 0.000 0.190 378 E C 1.135 177.866 176.600 0.217 0.000 0.979 378 E CA 1.126 57.699 56.400 0.289 0.000 0.814 378 E CB 0.360 30.141 29.700 0.135 0.000 0.762 378 E HN 0.260 nan 8.360 nan 0.000 0.460 379 G N -0.020 108.787 108.800 0.010 0.000 2.553 379 G HA2 -0.044 3.920 3.960 0.006 0.000 0.106 379 G HA3 -0.044 3.920 3.960 0.006 0.000 0.106 379 G C -1.141 173.575 174.900 -0.306 0.000 1.126 379 G CA -0.017 44.745 45.100 -0.564 0.000 1.075 379 G HN 0.072 nan 8.290 nan 0.000 0.472 380 S N 0.123 115.667 115.700 -0.259 0.000 2.438 380 S HA 0.527 5.001 4.470 0.006 0.000 0.316 380 S C 0.437 174.920 174.600 -0.196 0.000 1.084 380 S CA 1.045 59.129 58.200 -0.194 0.000 1.107 380 S CB 1.017 64.127 63.200 -0.150 0.000 0.981 380 S HN 1.391 nan 8.310 nan 0.000 0.466 381 E N 1.891 122.034 120.200 -0.096 0.000 3.070 381 E HA -0.205 4.149 4.350 0.006 0.000 0.285 381 E C -0.256 176.314 176.600 -0.049 0.000 0.972 381 E CA 1.039 57.419 56.400 -0.032 0.000 0.915 381 E CB -1.602 28.096 29.700 -0.003 0.000 1.466 381 E HN 0.818 nan 8.360 nan 0.000 0.432 382 A N 0.203 122.987 122.820 -0.059 0.000 2.274 382 A HA 0.758 5.082 4.320 0.006 0.000 0.309 382 A C 0.514 178.095 177.584 -0.004 0.000 1.226 382 A CA 0.178 52.192 52.037 -0.038 0.000 0.853 382 A CB 1.142 20.121 19.000 -0.035 0.000 1.146 382 A HN 0.676 nan 8.150 nan 0.000 0.518 383 A N 2.323 125.142 122.820 -0.002 0.000 3.232 383 A HA 0.674 4.998 4.320 0.006 0.000 0.312 383 A C 0.347 177.939 177.584 0.014 0.000 1.185 383 A CA 0.405 52.445 52.037 0.006 0.000 1.011 383 A CB -0.695 18.304 19.000 -0.001 0.000 1.096 383 A HN 1.975 nan 8.150 nan 0.000 0.543 384 A N -0.303 122.533 122.820 0.027 0.000 2.567 384 A HA 0.923 5.247 4.320 0.006 0.000 0.289 384 A C -0.402 177.212 177.584 0.051 0.000 1.177 384 A CA -0.500 51.557 52.037 0.033 0.000 0.694 384 A CB 1.114 20.133 19.000 0.030 0.000 1.292 384 A HN 0.543 nan 8.150 nan 0.000 0.425 385 S N -0.513 115.217 115.700 0.051 0.000 2.541 385 S HA 0.820 5.294 4.470 0.006 0.000 0.280 385 S C -1.121 173.516 174.600 0.063 0.000 1.112 385 S CA -0.364 57.874 58.200 0.063 0.000 0.925 385 S CB 2.006 65.237 63.200 0.052 0.000 1.067 385 S HN 0.791 nan 8.310 nan 0.000 0.479 386 T N 2.080 116.679 114.554 0.077 0.000 3.031 386 T HA 0.606 4.960 4.350 0.006 0.000 0.305 386 T C -0.076 174.666 174.700 0.070 0.000 0.985 386 T CA -0.460 61.681 62.100 0.069 0.000 1.008 386 T CB 1.369 70.283 68.868 0.077 0.000 1.005 386 T HN 0.759 nan 8.240 nan 0.000 0.444 387 A N 2.720 125.573 122.820 0.055 0.000 2.327 387 A HA 0.777 5.101 4.320 0.006 0.000 0.255 387 A C -0.207 177.405 177.584 0.047 0.000 1.099 387 A CA -0.410 51.659 52.037 0.053 0.000 0.801 387 A CB 0.442 19.468 19.000 0.042 0.000 1.062 387 A HN 0.680 nan 8.150 nan 0.000 0.496 388 V N 0.926 120.866 119.914 0.044 0.000 2.524 388 V HA 0.379 4.503 4.120 0.006 0.000 0.297 388 V C -0.767 175.341 176.094 0.024 0.000 1.035 388 V CA -0.437 61.881 62.300 0.029 0.000 0.867 388 V CB 1.557 33.393 31.823 0.022 0.000 1.004 388 V HN 0.641 nan 8.190 nan 0.000 0.426 389 V N 6.509 126.433 119.914 0.016 0.000 2.370 389 V HA 0.554 4.678 4.120 0.006 0.000 0.283 389 V C -0.233 175.865 176.094 0.006 0.000 1.023 389 V CA -0.350 61.958 62.300 0.015 0.000 0.857 389 V CB 1.750 33.581 31.823 0.014 0.000 0.985 389 V HN 0.709 nan 8.190 nan 0.000 0.443 390 I N 4.618 125.191 120.570 0.006 0.000 2.466 390 I HA 0.629 4.803 4.170 0.006 0.000 0.279 390 I C 0.274 176.393 176.117 0.003 0.000 1.033 390 I CA -0.344 60.955 61.300 -0.002 0.000 1.123 390 I CB 1.556 39.551 38.000 -0.008 0.000 1.237 390 I HN 0.671 nan 8.210 nan 0.000 0.460 391 A N 3.762 126.582 122.820 0.000 0.000 2.295 391 A HA 0.761 5.085 4.320 0.006 0.000 0.318 391 A C 1.022 178.605 177.584 -0.001 0.000 1.134 391 A CA 0.210 52.248 52.037 0.002 0.000 0.827 391 A CB 0.978 19.980 19.000 0.003 0.000 1.136 391 A HN 1.130 nan 8.150 nan 0.000 0.493 392 G N 0.035 108.836 108.800 0.001 0.000 2.143 392 G HA2 -0.239 3.725 3.960 0.006 0.000 0.248 392 G HA3 -0.239 3.725 3.960 0.006 0.000 0.248 392 G C 0.317 175.215 174.900 -0.003 0.000 0.991 392 G CA 0.775 45.874 45.100 -0.001 0.000 0.689 392 G HN 1.075 nan 8.290 nan 0.000 0.522 393 R N -0.301 120.199 120.500 -0.001 0.000 2.428 393 R HA 0.666 5.010 4.340 0.006 0.000 0.294 393 R C -0.511 175.792 176.300 0.004 0.000 1.000 393 R CA 0.124 56.223 56.100 -0.002 0.000 0.960 393 R CB 1.317 31.614 30.300 -0.005 0.000 1.076 393 R HN 0.363 nan 8.270 nan 0.000 0.475 394 S N 5.434 121.136 115.700 0.003 0.000 2.387 394 S HA 0.294 4.768 4.470 0.006 0.000 0.211 394 S C -0.838 173.765 174.600 0.005 0.000 1.055 394 S CA -0.767 57.437 58.200 0.007 0.000 1.133 394 S CB 0.259 63.463 63.200 0.006 0.000 1.235 394 S HN 0.553 nan 8.310 nan 0.000 0.425 395 L N 2.760 123.988 121.223 0.009 0.000 2.468 395 L HA 0.499 4.843 4.340 0.006 0.000 0.254 395 L C 1.154 178.029 176.870 0.009 0.000 1.171 395 L CA -1.048 53.796 54.840 0.006 0.000 0.809 395 L CB 0.327 42.390 42.059 0.008 0.000 1.155 395 L HN 0.572 nan 8.230 nan 0.000 0.473 396 N N 1.429 120.132 118.700 0.005 0.000 2.447 396 N HA 0.008 4.752 4.740 0.006 0.000 0.263 396 N C -1.920 173.596 175.510 0.009 0.000 1.226 396 N CA -1.017 52.036 53.050 0.006 0.000 0.906 396 N CB 1.437 39.925 38.487 0.003 0.000 1.060 396 N HN 0.270 nan 8.380 nan 0.000 0.468 397 P HA -0.045 nan 4.420 nan 0.000 0.221 397 P C 0.218 177.523 177.300 0.009 0.000 1.145 397 P CA 1.047 64.153 63.100 0.011 0.000 0.795 397 P CB 0.292 31.997 31.700 0.008 0.000 0.775 398 N N -0.680 118.023 118.700 0.006 0.000 2.336 398 N HA 0.006 4.750 4.740 0.006 0.000 0.189 398 N C 0.641 176.151 175.510 -0.000 0.000 1.113 398 N CA 0.008 53.060 53.050 0.003 0.000 0.858 398 N CB -0.290 38.199 38.487 0.003 0.000 0.970 398 N HN 0.325 nan 8.380 nan 0.000 0.471 399 R N 0.600 121.100 120.500 0.000 0.000 2.740 399 R HA 0.043 4.387 4.340 0.006 0.000 0.263 399 R C -0.165 176.121 176.300 -0.023 0.000 0.997 399 R CA 0.169 56.262 56.100 -0.011 0.000 1.108 399 R CB 0.309 30.607 30.300 -0.003 0.000 0.969 399 R HN -0.287 nan 8.270 nan 0.000 0.431 400 V N 1.411 121.289 119.914 -0.061 0.000 3.036 400 V HA 0.321 4.445 4.120 0.006 0.000 0.308 400 V C 0.506 176.543 176.094 -0.095 0.000 1.070 400 V CA 0.015 62.260 62.300 -0.091 0.000 1.056 400 V CB 1.571 33.290 31.823 -0.174 0.000 1.084 400 V HN 1.027 nan 8.190 nan 0.000 0.471 401 T N 0.580 115.093 114.554 -0.068 0.000 2.937 401 T HA 0.485 4.839 4.350 0.006 0.000 0.297 401 T C -1.088 173.615 174.700 0.005 0.000 0.991 401 T CA -0.394 61.703 62.100 -0.006 0.000 0.990 401 T CB 0.833 69.728 68.868 0.045 0.000 0.991 401 T HN 0.388 nan 8.240 nan 0.000 0.440 402 F N 3.831 123.711 119.950 -0.117 0.000 2.404 402 F HA 0.560 5.090 4.527 0.006 0.000 0.359 402 F C 0.332 176.113 175.800 -0.032 0.000 1.134 402 F CA -0.683 57.268 58.000 -0.081 0.000 1.160 402 F CB 0.661 39.594 39.000 -0.112 0.000 1.186 402 F HN 0.687 nan 8.300 nan 0.000 0.526 403 K N 5.696 125.879 120.400 -0.362 0.000 2.473 403 K HA 0.584 4.908 4.320 0.006 0.000 0.246 403 K C -0.566 175.804 176.600 -0.383 0.000 1.011 403 K CA -0.588 55.562 56.287 -0.229 0.000 0.984 403 K CB 0.839 33.195 32.500 -0.240 0.000 1.250 403 K HN 0.676 nan 8.250 nan 0.000 0.454 404 A N 4.372 127.001 122.820 -0.317 0.000 3.026 404 A HA 0.051 4.375 4.320 0.006 0.000 0.272 404 A C 0.101 177.675 177.584 -0.015 0.000 1.782 404 A CA -0.411 51.448 52.037 -0.297 0.000 1.451 404 A CB -0.646 18.058 19.000 -0.493 0.000 1.081 404 A HN 0.841 nan 8.150 nan 0.000 0.611 405 N N 1.109 119.697 118.700 -0.186 0.000 2.275 405 N HA 0.103 4.847 4.740 0.006 0.000 0.236 405 N C -0.045 174.903 175.510 -0.936 0.000 1.154 405 N CA -0.373 52.447 53.050 -0.383 0.000 0.866 405 N CB 0.014 38.426 38.487 -0.126 0.000 1.093 405 N HN 0.740 nan 8.380 nan 0.000 0.515 406 R N -2.173 117.825 120.500 -0.835 0.000 2.752 406 R HA 0.610 4.954 4.340 0.006 0.000 0.271 406 R C -3.285 172.996 176.300 -0.032 0.000 1.026 406 R CA -1.770 53.966 56.100 -0.607 0.000 0.901 406 R CB -0.032 30.156 30.300 -0.187 0.000 1.243 406 R HN -0.212 nan 8.270 nan 0.000 0.463 407 P HA -0.019 nan 4.420 nan 0.000 0.264 407 P C -1.224 176.258 177.300 0.304 0.000 1.179 407 P CA 0.366 63.632 63.100 0.277 0.000 0.763 407 P CB 0.118 31.914 31.700 0.160 0.000 0.806 408 F N -0.078 119.962 119.950 0.149 0.000 2.654 408 F HA 0.581 5.112 4.527 0.007 0.000 0.308 408 F C -1.506 174.368 175.800 0.123 0.000 1.108 408 F CA -1.524 56.557 58.000 0.134 0.000 0.957 408 F CB 0.708 39.807 39.000 0.164 0.000 1.309 408 F HN -0.040 nan 8.300 nan 0.000 0.446 409 L N 2.470 123.917 121.223 0.373 0.000 2.399 409 L HA 0.777 5.121 4.340 0.006 0.000 0.266 409 L C -0.527 176.552 176.870 0.349 0.000 1.114 409 L CA -1.276 53.704 54.840 0.233 0.000 0.804 409 L CB 1.512 43.721 42.059 0.249 0.000 1.146 409 L HN 0.578 nan 8.230 nan 0.000 0.451 410 V N 1.573 121.562 119.914 0.125 0.000 2.656 410 V HA 0.516 4.640 4.120 0.006 0.000 0.307 410 V C -0.952 175.132 176.094 -0.016 0.000 1.051 410 V CA -0.502 61.958 62.300 0.267 0.000 0.893 410 V CB 1.984 34.024 31.823 0.361 0.000 0.999 410 V HN 0.390 nan 8.190 nan 0.000 0.426 411 F N 4.112 124.248 119.950 0.311 0.000 2.561 411 F HA 0.619 5.150 4.527 0.006 0.000 0.313 411 F C -0.342 175.645 175.800 0.312 0.000 1.126 411 F CA -0.719 57.442 58.000 0.268 0.000 0.918 411 F CB 1.957 41.071 39.000 0.190 0.000 1.199 411 F HN 0.144 nan 8.300 nan 0.000 0.444 412 I N 4.470 125.326 120.570 0.477 0.000 2.354 412 I HA 0.443 4.616 4.170 0.006 0.000 0.286 412 I C -0.267 176.024 176.117 0.290 0.000 1.007 412 I CA -0.420 61.120 61.300 0.400 0.000 1.167 412 I CB 1.406 39.669 38.000 0.439 0.000 1.320 412 I HN 0.733 nan 8.210 nan 0.000 0.458 413 R N 4.623 125.271 120.500 0.246 0.000 2.912 413 R HA 0.646 4.989 4.340 0.006 0.000 0.262 413 R C -0.833 175.547 176.300 0.134 0.000 1.057 413 R CA -0.808 55.396 56.100 0.172 0.000 0.981 413 R CB 2.540 32.946 30.300 0.176 0.000 1.201 413 R HN 0.411 nan 8.270 nan 0.000 0.484 414 E N 1.804 122.065 120.200 0.103 0.000 2.166 414 E HA 0.291 4.645 4.350 0.006 0.000 0.275 414 E C -1.149 175.512 176.600 0.102 0.000 0.941 414 E CA -0.764 55.694 56.400 0.097 0.000 0.784 414 E CB 2.047 31.791 29.700 0.073 0.000 1.115 414 E HN 0.427 nan 8.360 nan 0.000 0.399 415 V N 5.771 125.748 119.914 0.105 0.000 2.532 415 V HA 0.283 4.407 4.120 0.006 0.000 0.295 415 V C -1.967 174.177 176.094 0.083 0.000 1.041 415 V CA -1.502 60.855 62.300 0.095 0.000 0.926 415 V CB 1.477 33.357 31.823 0.095 0.000 0.992 415 V HN 0.647 nan 8.190 nan 0.000 0.457 416 P HA 0.283 nan 4.420 nan 0.000 0.258 416 P C 1.094 178.462 177.300 0.113 0.000 1.416 416 P CA 0.003 63.151 63.100 0.079 0.000 0.927 416 P CB 0.370 32.099 31.700 0.049 0.000 1.444 417 L N -0.425 120.874 121.223 0.127 0.000 2.240 417 L HA 0.018 4.362 4.340 0.006 0.000 0.211 417 L C 0.257 177.233 176.870 0.176 0.000 1.106 417 L CA 0.640 55.593 54.840 0.187 0.000 0.793 417 L CB -0.346 41.803 42.059 0.151 0.000 0.927 417 L HN 0.090 nan 8.230 nan 0.000 0.446 418 N N -0.294 118.481 118.700 0.124 0.000 2.776 418 N HA -0.136 4.608 4.740 0.006 0.000 0.250 418 N C -0.027 175.528 175.510 0.076 0.000 1.112 418 N CA 1.006 54.114 53.050 0.096 0.000 0.733 418 N CB -1.873 36.670 38.487 0.094 0.000 1.097 418 N HN 0.216 nan 8.380 nan 0.000 0.558 419 T N 1.524 116.126 114.554 0.079 0.000 2.834 419 T HA 0.328 4.682 4.350 0.006 0.000 0.298 419 T C 1.232 175.983 174.700 0.085 0.000 0.966 419 T CA -0.119 62.022 62.100 0.067 0.000 1.141 419 T CB 0.957 69.860 68.868 0.059 0.000 0.905 419 T HN 0.102 nan 8.240 nan 0.000 0.535 420 I N 4.873 125.504 120.570 0.102 0.000 2.294 420 I HA 0.163 4.337 4.170 0.006 0.000 0.295 420 I C 1.143 177.299 176.117 0.065 0.000 1.098 420 I CA -0.124 61.264 61.300 0.147 0.000 1.277 420 I CB 0.399 38.528 38.000 0.215 0.000 1.434 420 I HN 0.709 nan 8.210 nan 0.000 0.498 421 I N 5.367 125.936 120.570 -0.002 0.000 2.296 421 I HA 0.013 4.187 4.170 0.006 0.000 0.242 421 I C 0.149 175.997 176.117 -0.448 0.000 1.087 421 I CA 1.061 62.212 61.300 -0.249 0.000 1.393 421 I CB 0.092 37.899 38.000 -0.321 0.000 1.093 421 I HN 0.275 nan 8.210 nan 0.000 0.421 422 F N 1.145 121.098 119.950 0.006 0.000 2.563 422 F HA 0.600 5.132 4.527 0.007 0.000 0.316 422 F C -0.110 175.643 175.800 -0.078 0.000 1.076 422 F CA -0.940 56.981 58.000 -0.131 0.000 0.921 422 F CB 1.814 40.761 39.000 -0.087 0.000 1.209 422 F HN -0.182 nan 8.300 nan 0.000 0.462 423 M N 1.595 121.189 119.600 -0.011 0.000 2.371 423 M HA 0.934 5.418 4.480 0.006 0.000 0.287 423 M C -1.073 175.217 176.300 -0.017 0.000 1.149 423 M CA -0.258 54.947 55.300 -0.158 0.000 0.929 423 M CB 2.449 34.873 32.600 -0.294 0.000 1.683 423 M HN 0.720 nan 8.290 nan 0.000 0.470 424 G N 1.843 110.636 108.800 -0.011 0.000 2.570 424 G HA2 0.660 4.624 3.960 0.006 0.000 0.310 424 G HA3 0.660 4.624 3.960 0.006 0.000 0.310 424 G C -2.271 172.701 174.900 0.121 0.000 1.266 424 G CA -0.935 44.318 45.100 0.254 0.000 0.825 424 G HN 0.925 nan 8.290 nan 0.000 0.483 425 R N -0.546 120.035 120.500 0.135 0.000 2.584 425 R HA 0.540 4.884 4.340 0.006 0.000 0.276 425 R C -1.916 174.242 176.300 -0.236 0.000 1.046 425 R CA -0.489 55.596 56.100 -0.024 0.000 0.906 425 R CB 2.211 32.565 30.300 0.091 0.000 1.215 425 R HN 0.406 nan 8.270 nan 0.000 0.449 426 V N 4.494 124.056 119.914 -0.585 0.000 2.259 426 V HA 0.324 4.448 4.120 0.006 0.000 0.267 426 V C 0.856 176.602 176.094 -0.579 0.000 1.051 426 V CA 0.135 61.925 62.300 -0.850 0.000 0.830 426 V CB 0.719 31.504 31.823 -1.730 0.000 1.080 426 V HN 0.929 nan 8.190 nan 0.000 0.467 427 A N 4.230 126.858 122.820 -0.319 0.000 2.169 427 A HA 0.259 4.583 4.320 0.006 0.000 0.210 427 A C 0.897 178.362 177.584 -0.198 0.000 1.168 427 A CA 0.472 52.424 52.037 -0.142 0.000 0.813 427 A CB 0.017 18.976 19.000 -0.069 0.000 0.861 427 A HN 0.667 nan 8.150 nan 0.000 0.481 428 N N -0.581 117.891 118.700 -0.380 0.000 2.812 428 N HA 0.196 4.940 4.740 0.006 0.000 0.262 428 N C -3.049 172.192 175.510 -0.449 0.000 1.241 428 N CA -0.973 51.807 53.050 -0.450 0.000 0.854 428 N CB 1.645 40.008 38.487 -0.207 0.000 1.506 428 N HN -0.075 nan 8.380 nan 0.000 0.576 429 P HA 0.288 nan 4.420 nan 0.000 0.258 429 P C -0.148 177.037 177.300 -0.192 0.000 1.416 429 P CA -0.046 62.856 63.100 -0.330 0.000 0.927 429 P CB -0.059 31.439 31.700 -0.337 0.000 1.444 430 c N -0.267 118.213 118.600 -0.200 0.000 2.411 430 c HA 0.578 5.152 4.570 0.006 0.000 0.358 430 c C 0.915 174.968 174.090 -0.061 0.000 1.349 430 c CA 0.059 56.325 56.329 -0.104 0.000 2.326 430 c CB 1.000 43.454 42.510 -0.093 0.000 2.166 430 c HN 0.273 nan 8.230 nan 0.000 0.609 431 V N 0.000 119.890 119.914 -0.039 0.000 2.409 431 V HA 0.000 4.124 4.120 0.006 0.000 0.244 431 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 431 V CB 0.000 31.805 31.823 -0.031 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556