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 1hc1_1_D DATA FIRST_RESID 5 DATA SEQUENCE TGNAQKQQDI NHLLDKIYEP TKYPDLKDIA ENFNPLGDTS IYNDHGAAVE DATA SEQUENCE TLMKELNDHR LLEQRHWYSL FNTRQRKEAL MLFAVLNQcK EWYcFRSNAA DATA SEQUENCE YFRERMNEGE FVYALYVSVI HSKLGDGIVL PPLYQITPHM FTNSEVIDKA DATA SEQUENCE YSAKMTQKPG TFNVSFXXXX KNREQRVAYF GEDIGMNIHH VTWHMDFPFW DATA SEQUENCE WEDSYGYHLD RKGELFFWVH HQLTARFDFE RLSNWLDPVD ELHWDRIIRE DATA SEQUENCE GFAPLTSYKY GGEFPVRPDN IHFEDVDGVA HVHDLEITES RIHEAIDHGY DATA SEQUENCE ITDSDGHTID IRQPKGIELL GDIIESSKYS SNVQYYGSLH NTAHVMLGRQ DATA SEQUENCE GDPHGKFNLP PGVMEHFETA TRDPSFFRLH KYMDNIFKKH TDSFPPYTHD DATA SEQUENCE NLEFSGMVVN GVAIDGELIT FFDEFQYSLI NAVDSGENIE DVEINARVHR DATA SEQUENCE LNHNEFTYKI TMSNNNDGER LATFRIFLcP IEDNNGITLT LDEARWFcIE DATA SEQUENCE LDKFFQKVPS GPETIERSSK DSSVTVPDMP SFQSLKEQAD NAVNGGXXLD DATA SEQUENCE LSAYERScGI PDRMLLPKSK PEGMEFNLYV AVTDGDKDTE GHXXXXXXXX DATA SEQUENCE XHAQcGVHGE AYPDNRPLGY PLERRIPDER VIDGVSNIKH VVVKIVHHL 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.590 174.700 -0.184 0.000 1.109 5 T CA 0.000 61.999 62.100 -0.168 0.000 1.349 5 T CB 0.000 68.772 68.868 -0.160 0.000 0.612 6 G N 1.482 110.157 108.800 -0.208 0.000 2.145 6 G HA2 0.171 4.132 3.960 0.000 0.000 0.203 6 G HA3 0.171 4.132 3.960 0.000 0.000 0.203 6 G C -0.019 174.743 174.900 -0.231 0.000 1.096 6 G CA 0.993 45.991 45.100 -0.171 0.000 1.282 6 G HN 1.735 nan 8.290 nan 0.000 0.474 7 N N -2.446 116.108 118.700 -0.245 0.000 2.494 7 N HA 0.240 4.980 4.740 0.000 0.000 0.295 7 N C 1.617 177.008 175.510 -0.198 0.000 1.001 7 N CA 1.518 54.409 53.050 -0.266 0.000 1.691 7 N CB -0.843 37.511 38.487 -0.222 0.000 2.217 7 N HN 1.688 nan 8.380 nan 0.000 1.217 8 A N -0.212 122.525 122.820 -0.139 0.000 2.277 8 A HA 0.036 4.356 4.320 0.000 0.000 0.208 8 A C 1.532 179.052 177.584 -0.106 0.000 1.202 8 A CA 1.081 53.055 52.037 -0.104 0.000 0.762 8 A CB -0.387 18.569 19.000 -0.075 0.000 0.770 8 A HN 0.456 nan 8.150 nan 0.000 0.487 9 Q N -0.770 118.948 119.800 -0.137 0.000 2.642 9 Q HA 0.082 4.422 4.340 0.000 0.000 0.202 9 Q C 1.596 177.534 176.000 -0.103 0.000 0.845 9 Q CA 0.508 56.247 55.803 -0.107 0.000 0.873 9 Q CB -0.349 28.323 28.738 -0.110 0.000 1.190 9 Q HN 0.616 nan 8.270 nan 0.000 0.642 10 K N 1.264 121.464 120.400 -0.334 0.000 2.034 10 K HA -0.277 4.043 4.320 0.000 0.000 0.214 10 K C 2.117 178.677 176.600 -0.067 0.000 1.051 10 K CA 2.046 58.019 56.287 -0.524 0.000 0.931 10 K CB -0.163 31.534 32.500 -1.338 0.000 0.715 10 K HN 0.066 nan 8.250 nan 0.000 0.446 11 Q N 1.476 121.181 119.800 -0.158 0.000 2.029 11 Q HA -0.287 4.053 4.340 0.000 0.000 0.209 11 Q C 2.176 178.132 176.000 -0.074 0.000 0.999 11 Q CA 2.357 58.106 55.803 -0.089 0.000 0.857 11 Q CB -0.307 28.370 28.738 -0.101 0.000 0.926 11 Q HN 0.360 nan 8.270 nan 0.000 0.415 12 Q N -0.115 119.609 119.800 -0.127 0.000 2.029 12 Q HA -0.268 4.072 4.340 0.000 0.000 0.209 12 Q C 1.669 177.456 176.000 -0.355 0.000 0.999 12 Q CA 2.299 57.940 55.803 -0.270 0.000 0.857 12 Q CB -0.375 28.205 28.738 -0.262 0.000 0.926 12 Q HN 0.548 nan 8.270 nan 0.000 0.415 13 D N -0.093 120.231 120.400 -0.126 0.000 2.126 13 D HA -0.213 4.427 4.640 0.000 0.000 0.190 13 D C 1.976 178.296 176.300 0.034 0.000 1.001 13 D CA 1.651 55.650 54.000 -0.002 0.000 0.841 13 D CB -0.212 40.734 40.800 0.243 0.000 0.949 13 D HN 0.292 nan 8.370 nan 0.000 0.446 14 I N 2.216 122.850 120.570 0.106 0.000 2.091 14 I HA -0.283 3.887 4.170 0.000 0.000 0.239 14 I C 2.099 178.285 176.117 0.116 0.000 1.061 14 I CA 1.163 62.531 61.300 0.114 0.000 1.317 14 I CB -0.684 37.369 38.000 0.090 0.000 1.031 14 I HN 0.030 nan 8.210 nan 0.000 0.401 15 N N -0.350 118.412 118.700 0.103 0.000 2.132 15 N HA -0.248 4.492 4.740 0.000 0.000 0.191 15 N C 1.901 177.581 175.510 0.282 0.000 1.015 15 N CA 1.860 55.077 53.050 0.279 0.000 0.864 15 N CB -0.669 37.879 38.487 0.102 0.000 1.006 15 N HN 0.633 nan 8.380 nan 0.000 0.430 16 H N 0.657 119.678 119.070 -0.082 0.000 2.357 16 H HA 0.057 4.613 4.556 0.000 0.000 0.301 16 H C 2.331 177.602 175.328 -0.095 0.000 1.082 16 H CA 0.427 56.246 56.048 -0.382 0.000 1.342 16 H CB 0.089 29.459 29.762 -0.652 0.000 1.389 16 H HN 0.081 nan 8.280 nan 0.000 0.511 17 L N 0.579 121.902 121.223 0.166 0.000 2.012 17 L HA -0.194 4.146 4.340 0.000 0.000 0.210 17 L C 1.493 178.527 176.870 0.273 0.000 1.073 17 L CA 1.117 56.089 54.840 0.220 0.000 0.748 17 L CB -0.177 42.043 42.059 0.268 0.000 0.891 17 L HN 0.280 nan 8.230 nan 0.000 0.431 18 L N -0.847 120.529 121.223 0.254 0.000 2.672 18 L HA 0.122 4.462 4.340 0.000 0.000 0.236 18 L C -0.116 176.887 176.870 0.221 0.000 1.186 18 L CA -0.323 54.635 54.840 0.197 0.000 0.977 18 L CB -0.563 41.535 42.059 0.066 0.000 1.203 18 L HN 0.089 nan 8.230 nan 0.000 0.448 19 D N 0.824 121.421 120.400 0.329 0.000 2.177 19 D HA 0.158 4.798 4.640 0.000 0.000 0.247 19 D C 0.166 176.647 176.300 0.302 0.000 1.063 19 D CA -0.485 53.775 54.000 0.433 0.000 0.867 19 D CB 0.717 41.816 40.800 0.498 0.000 1.168 19 D HN -0.028 nan 8.370 nan 0.000 0.445 20 K N 2.947 123.521 120.400 0.290 0.000 3.415 20 K HA -0.250 4.070 4.320 0.000 0.000 0.271 20 K C 0.981 177.678 176.600 0.162 0.000 0.876 20 K CA -0.141 56.289 56.287 0.238 0.000 0.670 20 K CB -0.992 31.639 32.500 0.219 0.000 1.510 20 K HN 0.509 nan 8.250 nan 0.000 0.455 21 I N 0.035 120.639 120.570 0.057 0.000 2.300 21 I HA -0.298 3.872 4.170 0.000 0.000 0.252 21 I C 1.413 177.448 176.117 -0.137 0.000 1.119 21 I CA 1.760 63.009 61.300 -0.085 0.000 1.384 21 I CB -0.152 37.711 38.000 -0.228 0.000 1.062 21 I HN 0.327 nan 8.210 nan 0.000 0.426 22 Y N 1.768 122.182 120.300 0.191 0.000 2.488 22 Y HA 0.223 4.773 4.550 -0.000 0.000 0.319 22 Y C 0.291 176.305 175.900 0.190 0.000 1.212 22 Y CA -0.107 58.130 58.100 0.227 0.000 1.273 22 Y CB -0.718 37.880 38.460 0.230 0.000 1.074 22 Y HN 0.327 nan 8.280 nan 0.000 0.503 23 E N -0.438 119.889 120.200 0.211 0.000 2.363 23 E HA 0.244 4.594 4.350 0.000 0.000 0.281 23 E C -2.914 173.732 176.600 0.077 0.000 0.953 23 E CA -2.632 53.854 56.400 0.144 0.000 0.778 23 E CB 1.620 31.404 29.700 0.140 0.000 1.220 23 E HN -0.210 nan 8.360 nan 0.000 0.431 24 P HA -0.136 nan 4.420 nan 0.000 0.261 24 P C 0.077 177.393 177.300 0.028 0.000 1.158 24 P CA 0.459 63.563 63.100 0.006 0.000 0.758 24 P CB -0.038 31.659 31.700 -0.004 0.000 0.763 25 T N 0.408 114.979 114.554 0.029 0.000 2.946 25 T HA 0.055 4.405 4.350 0.000 0.000 0.311 25 T C 1.008 175.740 174.700 0.055 0.000 1.063 25 T CA -0.293 61.859 62.100 0.087 0.000 1.139 25 T CB 0.746 69.695 68.868 0.134 0.000 0.994 25 T HN 0.341 nan 8.240 nan 0.000 0.547 26 K N 0.703 121.126 120.400 0.040 0.000 2.374 26 K HA 0.089 4.409 4.320 0.000 0.000 0.196 26 K C -0.555 175.924 176.600 -0.203 0.000 1.023 26 K CA 0.111 56.331 56.287 -0.112 0.000 1.103 26 K CB 0.209 32.592 32.500 -0.196 0.000 0.848 26 K HN 0.634 nan 8.250 nan 0.000 0.528 27 Y N 1.953 122.213 120.300 -0.067 0.000 2.518 27 Y HA 0.127 4.677 4.550 -0.000 0.000 0.344 27 Y C -1.578 174.301 175.900 -0.036 0.000 0.982 27 Y CA -2.729 55.315 58.100 -0.094 0.000 1.234 27 Y CB 0.500 38.842 38.460 -0.198 0.000 1.114 27 Y HN -0.018 nan 8.280 nan 0.000 0.515 28 P HA -0.316 nan 4.420 nan 0.000 0.222 28 P C 0.787 178.130 177.300 0.071 0.000 1.155 28 P CA 2.229 65.361 63.100 0.052 0.000 0.890 28 P CB 0.362 32.083 31.700 0.035 0.000 0.790 29 D N 0.110 120.570 120.400 0.100 0.000 2.091 29 D HA -0.118 4.522 4.640 0.000 0.000 0.199 29 D C 2.239 178.587 176.300 0.080 0.000 0.980 29 D CA 0.837 54.894 54.000 0.094 0.000 0.831 29 D CB -1.040 39.828 40.800 0.113 0.000 0.987 29 D HN 0.213 nan 8.370 nan 0.000 0.460 30 L N 0.369 121.648 121.223 0.093 0.000 2.349 30 L HA -0.130 4.210 4.340 0.000 0.000 0.220 30 L C 2.689 179.576 176.870 0.028 0.000 1.130 30 L CA 0.945 55.819 54.840 0.057 0.000 0.791 30 L CB -0.312 41.794 42.059 0.079 0.000 0.918 30 L HN 0.014 nan 8.230 nan 0.000 0.444 31 K N -0.254 120.171 120.400 0.042 0.000 2.262 31 K HA -0.104 4.216 4.320 0.000 0.000 0.200 31 K C 1.645 178.260 176.600 0.025 0.000 1.049 31 K CA 0.963 57.263 56.287 0.020 0.000 0.979 31 K CB 0.198 32.712 32.500 0.023 0.000 0.773 31 K HN 0.420 nan 8.250 nan 0.000 0.474 32 D N 0.236 120.662 120.400 0.044 0.000 2.333 32 D HA -0.078 4.562 4.640 0.000 0.000 0.208 32 D C 1.688 178.035 176.300 0.080 0.000 0.984 32 D CA 0.386 54.420 54.000 0.055 0.000 0.873 32 D CB 0.106 40.939 40.800 0.056 0.000 0.935 32 D HN 0.225 nan 8.370 nan 0.000 0.521 33 I N 1.508 122.119 120.570 0.068 0.000 2.286 33 I HA -0.139 4.031 4.170 0.000 0.000 0.245 33 I C 2.878 179.055 176.117 0.100 0.000 1.104 33 I CA 0.932 62.278 61.300 0.076 0.000 1.397 33 I CB -0.312 37.684 38.000 -0.006 0.000 1.072 33 I HN -0.024 nan 8.210 nan 0.000 0.417 34 A N 0.801 123.640 122.820 0.031 0.000 1.940 34 A HA -0.224 4.096 4.320 0.000 0.000 0.219 34 A C 2.200 179.790 177.584 0.010 0.000 1.176 34 A CA 1.860 53.880 52.037 -0.028 0.000 0.631 34 A CB -0.457 18.492 19.000 -0.085 0.000 0.814 34 A HN 0.497 nan 8.150 nan 0.000 0.446 35 E N -0.738 119.493 120.200 0.051 0.000 2.057 35 E HA -0.042 4.308 4.350 0.000 0.000 0.190 35 E C 1.401 178.072 176.600 0.118 0.000 0.969 35 E CA 0.679 57.116 56.400 0.061 0.000 0.812 35 E CB -0.169 29.552 29.700 0.036 0.000 0.777 35 E HN 0.536 nan 8.360 nan 0.000 0.455 36 N N 0.359 119.139 118.700 0.132 0.000 2.446 36 N HA -0.026 4.714 4.740 0.000 0.000 0.179 36 N C 0.300 175.912 175.510 0.171 0.000 1.054 36 N CA 0.236 53.364 53.050 0.130 0.000 0.905 36 N CB 0.068 38.620 38.487 0.108 0.000 0.973 36 N HN 0.000 nan 8.380 nan 0.000 0.448 37 F N 1.938 121.925 119.950 0.062 0.000 2.410 37 F HA 0.173 4.701 4.527 0.000 0.000 0.334 37 F C 0.614 176.343 175.800 -0.117 0.000 1.134 37 F CA -0.245 57.747 58.000 -0.013 0.000 1.227 37 F CB 0.623 39.601 39.000 -0.036 0.000 1.194 37 F HN -0.130 nan 8.300 nan 0.000 0.571 38 N N 5.890 124.204 118.700 -0.643 0.000 2.581 38 N HA 0.252 4.992 4.740 0.000 0.000 0.279 38 N C -2.466 172.603 175.510 -0.735 0.000 1.124 38 N CA -1.551 51.171 53.050 -0.547 0.000 0.833 38 N CB 2.055 40.357 38.487 -0.308 0.000 1.338 38 N HN 0.211 nan 8.380 nan 0.000 0.533 39 P HA -0.107 nan 4.420 nan 0.000 0.216 39 P C 1.210 178.492 177.300 -0.030 0.000 1.150 39 P CA 0.856 63.869 63.100 -0.146 0.000 0.843 39 P CB 0.404 32.069 31.700 -0.058 0.000 0.787 40 L N -1.826 119.335 121.223 -0.103 0.000 2.599 40 L HA 0.158 4.498 4.340 0.000 0.000 0.230 40 L C 1.831 178.666 176.870 -0.059 0.000 1.141 40 L CA 0.991 55.806 54.840 -0.041 0.000 0.877 40 L CB -1.224 40.806 42.059 -0.048 0.000 1.009 40 L HN -0.051 nan 8.230 nan 0.000 0.447 41 G N -1.103 107.612 108.800 -0.141 0.000 3.814 41 G HA2 0.217 4.178 3.960 0.000 0.000 0.293 41 G HA3 0.217 4.178 3.960 0.000 0.000 0.293 41 G C -0.440 174.400 174.900 -0.099 0.000 1.243 41 G CA 0.027 45.053 45.100 -0.123 0.000 1.053 41 G HN 0.184 nan 8.290 nan 0.000 0.562 42 D N -0.200 120.172 120.400 -0.047 0.000 2.130 42 D HA 0.013 4.653 4.640 0.000 0.000 0.134 42 D C -1.257 175.066 176.300 0.039 0.000 1.051 42 D CA -0.239 53.753 54.000 -0.012 0.000 1.052 42 D CB 0.559 41.349 40.800 -0.017 0.000 3.248 42 D HN -0.098 nan 8.370 nan 0.000 0.561 43 T N 1.781 116.380 114.554 0.074 0.000 3.150 43 T HA 0.433 4.783 4.350 0.000 0.000 0.383 43 T C 0.693 175.445 174.700 0.087 0.000 1.313 43 T CA 0.180 62.368 62.100 0.147 0.000 1.235 43 T CB 0.773 69.737 68.868 0.160 0.000 1.088 43 T HN 0.410 nan 8.240 nan 0.000 0.556 44 S N 1.790 117.503 115.700 0.023 0.000 1.946 44 S HA -0.000 4.470 4.470 0.000 0.000 0.223 44 S C 1.619 176.184 174.600 -0.058 0.000 0.832 44 S CA 0.083 58.278 58.200 -0.008 0.000 1.453 44 S CB -0.787 62.425 63.200 0.021 0.000 0.947 44 S HN 0.510 nan 8.310 nan 0.000 0.408 45 I N 0.038 120.536 120.570 -0.121 0.000 2.252 45 I HA 0.190 4.360 4.170 0.000 0.000 0.245 45 I C 1.125 177.087 176.117 -0.259 0.000 1.102 45 I CA 0.382 61.555 61.300 -0.212 0.000 1.385 45 I CB -0.947 36.867 38.000 -0.311 0.000 1.064 45 I HN 0.174 nan 8.210 nan 0.000 0.414 46 Y N 2.177 122.465 120.300 -0.019 0.000 2.321 46 Y HA 0.086 4.636 4.550 -0.000 0.000 0.353 46 Y C 1.436 177.261 175.900 -0.125 0.000 1.276 46 Y CA 0.060 58.127 58.100 -0.054 0.000 1.545 46 Y CB -0.125 38.307 38.460 -0.047 0.000 1.377 46 Y HN 0.093 nan 8.280 nan 0.000 0.650 47 N N -0.043 118.709 118.700 0.086 0.000 2.143 47 N HA 0.014 4.754 4.740 0.000 0.000 0.222 47 N C -0.441 175.071 175.510 0.004 0.000 1.264 47 N CA 0.429 53.471 53.050 -0.014 0.000 0.897 47 N CB 0.374 38.888 38.487 0.045 0.000 1.092 47 N HN 0.715 nan 8.380 nan 0.000 0.516 48 D N -1.669 118.752 120.400 0.034 0.000 2.433 48 D HA 0.098 4.738 4.640 0.000 0.000 0.211 48 D C -0.375 176.014 176.300 0.149 0.000 1.114 48 D CA -0.238 53.806 54.000 0.074 0.000 0.837 48 D CB -0.230 40.579 40.800 0.015 0.000 0.984 48 D HN 0.013 nan 8.370 nan 0.000 0.505 49 H N -0.243 118.884 119.070 0.096 0.000 2.826 49 H HA -0.002 4.554 4.556 -0.000 0.000 0.306 49 H C 1.412 176.784 175.328 0.074 0.000 1.235 49 H CA 0.430 56.533 56.048 0.092 0.000 1.150 49 H CB -1.660 28.136 29.762 0.056 0.000 1.409 49 H HN 0.472 nan 8.280 nan 0.000 0.420 50 G N -0.995 107.875 108.800 0.115 0.000 2.225 50 G HA2 -0.236 3.724 3.960 0.000 0.000 0.267 50 G HA3 -0.236 3.724 3.960 0.000 0.000 0.267 50 G C 1.227 176.024 174.900 -0.172 0.000 1.024 50 G CA 0.870 45.915 45.100 -0.093 0.000 0.784 50 G HN 1.181 nan 8.290 nan 0.000 0.507 51 A N -0.850 121.910 122.820 -0.100 0.000 2.119 51 A HA 0.555 4.875 4.320 0.000 0.000 0.217 51 A C 2.376 179.885 177.584 -0.126 0.000 1.153 51 A CA 1.800 53.790 52.037 -0.080 0.000 0.692 51 A CB -0.105 18.882 19.000 -0.022 0.000 0.799 51 A HN 1.748 nan 8.150 nan 0.000 0.458 52 A N -1.155 121.542 122.820 -0.204 0.000 2.387 52 A HA 0.511 4.831 4.320 0.000 0.000 0.234 52 A C 1.439 178.869 177.584 -0.257 0.000 1.253 52 A CA 0.558 52.476 52.037 -0.198 0.000 0.894 52 A CB 0.067 18.960 19.000 -0.179 0.000 0.963 52 A HN 0.214 nan 8.150 nan 0.000 0.508 53 V N -0.856 118.868 119.914 -0.318 0.000 2.690 53 V HA -0.059 4.061 4.120 0.000 0.000 0.240 53 V C 2.093 178.127 176.094 -0.101 0.000 1.078 53 V CA 1.301 63.450 62.300 -0.252 0.000 1.102 53 V CB -0.396 31.127 31.823 -0.499 0.000 0.800 53 V HN 0.558 nan 8.190 nan 0.000 0.479 54 E N 0.528 120.658 120.200 -0.117 0.000 2.160 54 E HA -0.202 4.148 4.350 0.000 0.000 0.195 54 E C 1.981 178.557 176.600 -0.040 0.000 0.991 54 E CA 1.895 58.262 56.400 -0.054 0.000 0.810 54 E CB -0.115 29.555 29.700 -0.050 0.000 0.742 54 E HN 0.592 nan 8.360 nan 0.000 0.466 55 T N 0.654 115.169 114.554 -0.065 0.000 3.067 55 T HA -0.019 4.332 4.350 0.000 0.000 0.257 55 T C 1.544 176.210 174.700 -0.057 0.000 1.105 55 T CA 0.133 62.200 62.100 -0.054 0.000 1.104 55 T CB 0.128 68.961 68.868 -0.058 0.000 0.925 55 T HN 0.008 nan 8.240 nan 0.000 0.498 56 L N 1.105 122.282 121.223 -0.076 0.000 2.071 56 L HA 0.226 4.566 4.340 0.000 0.000 0.201 56 L C 2.074 178.962 176.870 0.029 0.000 1.076 56 L CA 1.523 56.301 54.840 -0.103 0.000 0.755 56 L CB -0.970 40.904 42.059 -0.309 0.000 0.915 56 L HN 0.034 nan 8.230 nan 0.000 0.445 57 M N 0.173 119.836 119.600 0.106 0.000 2.151 57 M HA -0.330 4.150 4.480 0.000 0.000 0.256 57 M C 2.275 178.624 176.300 0.080 0.000 1.072 57 M CA 1.947 57.338 55.300 0.153 0.000 1.090 57 M CB -1.502 31.164 32.600 0.110 0.000 1.294 57 M HN 0.315 nan 8.290 nan 0.000 0.415 58 K N -0.118 120.303 120.400 0.034 0.000 2.127 58 K HA -0.212 4.109 4.320 0.000 0.000 0.208 58 K C 1.816 178.428 176.600 0.021 0.000 1.047 58 K CA 1.489 57.785 56.287 0.016 0.000 0.927 58 K CB 0.107 32.607 32.500 0.001 0.000 0.716 58 K HN 0.315 nan 8.250 nan 0.000 0.450 59 E N 0.557 120.771 120.200 0.024 0.000 2.051 59 E HA -0.154 4.196 4.350 0.000 0.000 0.189 59 E C 2.005 178.639 176.600 0.057 0.000 0.979 59 E CA 0.560 56.977 56.400 0.027 0.000 0.803 59 E CB -0.347 29.356 29.700 0.006 0.000 0.761 59 E HN 0.228 nan 8.360 nan 0.000 0.451 60 L N 2.078 123.352 121.223 0.085 0.000 2.127 60 L HA -0.150 4.190 4.340 0.000 0.000 0.211 60 L C 1.592 178.510 176.870 0.079 0.000 1.089 60 L CA 1.555 56.471 54.840 0.126 0.000 0.757 60 L CB -0.406 41.800 42.059 0.244 0.000 0.899 60 L HN 0.016 nan 8.230 nan 0.000 0.434 61 N N -0.184 118.540 118.700 0.041 0.000 2.132 61 N HA -0.127 4.613 4.740 0.000 0.000 0.187 61 N C 1.152 176.596 175.510 -0.110 0.000 1.038 61 N CA 1.570 54.595 53.050 -0.041 0.000 0.846 61 N CB -0.286 38.192 38.487 -0.014 0.000 1.012 61 N HN 0.369 nan 8.380 nan 0.000 0.429 62 D N 0.619 121.006 120.400 -0.021 0.000 2.392 62 D HA -0.083 4.557 4.640 0.000 0.000 0.228 62 D C -0.262 176.148 176.300 0.183 0.000 1.003 62 D CA 0.328 54.344 54.000 0.027 0.000 0.917 62 D CB -0.893 39.931 40.800 0.040 0.000 0.890 62 D HN 0.555 nan 8.370 nan 0.000 0.532 63 H N -0.847 118.226 119.070 0.006 0.000 2.542 63 H HA -0.230 4.326 4.556 0.000 0.000 0.313 63 H C -0.165 175.153 175.328 -0.017 0.000 0.960 63 H CA 0.271 56.318 56.048 -0.003 0.000 1.032 63 H CB -1.870 27.887 29.762 -0.007 0.000 1.620 63 H HN 0.385 nan 8.280 nan 0.000 0.346 64 R N 0.593 121.154 120.500 0.102 0.000 2.590 64 R HA 0.399 4.739 4.340 0.000 0.000 0.410 64 R C -0.552 175.747 176.300 -0.002 0.000 1.010 64 R CA -0.775 55.342 56.100 0.029 0.000 1.155 64 R CB 0.590 30.906 30.300 0.026 0.000 1.455 64 R HN 0.184 nan 8.270 nan 0.000 0.567 65 L N 1.488 122.714 121.223 0.006 0.000 2.360 65 L HA 0.372 4.712 4.340 0.000 0.000 0.271 65 L C 0.007 176.845 176.870 -0.053 0.000 1.057 65 L CA -1.198 53.633 54.840 -0.015 0.000 0.803 65 L CB 1.489 43.557 42.059 0.015 0.000 1.207 65 L HN 0.191 nan 8.230 nan 0.000 0.445 66 L N 3.054 124.230 121.223 -0.078 0.000 2.485 66 L HA 0.087 4.427 4.340 0.000 0.000 0.275 66 L C 0.175 176.968 176.870 -0.128 0.000 1.207 66 L CA -0.224 54.526 54.840 -0.149 0.000 0.855 66 L CB 0.453 42.425 42.059 -0.144 0.000 1.114 66 L HN 0.718 nan 8.230 nan 0.000 0.485 67 E N 3.845 123.934 120.200 -0.187 0.000 2.408 67 E HA 0.085 4.435 4.350 0.000 0.000 0.259 67 E C -0.610 175.953 176.600 -0.061 0.000 1.110 67 E CA -0.439 55.886 56.400 -0.124 0.000 0.929 67 E CB 0.491 30.109 29.700 -0.137 0.000 0.971 67 E HN 0.565 nan 8.360 nan 0.000 0.438 68 Q N 0.579 120.357 119.800 -0.037 0.000 2.318 68 Q HA 0.204 4.544 4.340 0.000 0.000 0.222 68 Q C -0.529 175.459 176.000 -0.020 0.000 1.003 68 Q CA -0.510 55.291 55.803 -0.002 0.000 0.936 68 Q CB 0.620 29.347 28.738 -0.017 0.000 1.204 68 Q HN 0.360 nan 8.270 nan 0.000 0.524 69 R N 1.365 121.864 120.500 -0.002 0.000 3.092 69 R HA -0.224 4.116 4.340 0.000 0.000 0.245 69 R C -0.540 175.690 176.300 -0.116 0.000 0.881 69 R CA 0.567 56.494 56.100 -0.288 0.000 0.614 69 R CB -1.597 28.266 30.300 -0.729 0.000 1.128 69 R HN 0.506 nan 8.270 nan 0.000 0.483 70 H N 0.083 119.184 119.070 0.051 0.000 3.037 70 H HA 0.222 4.778 4.556 0.000 0.000 0.355 70 H C -0.164 175.259 175.328 0.159 0.000 1.263 70 H CA -0.689 55.365 56.048 0.010 0.000 1.129 70 H CB 1.033 30.692 29.762 -0.172 0.000 1.861 70 H HN 0.281 nan 8.280 nan 0.000 0.546 71 W N 2.633 123.868 121.300 -0.108 0.000 1.833 71 W HA 0.435 5.095 4.660 0.001 0.000 0.390 71 W C -1.380 175.447 176.519 0.513 0.000 1.680 71 W CA -0.663 56.802 57.345 0.199 0.000 1.828 71 W CB -0.259 29.147 29.460 -0.090 0.000 1.357 71 W HN 0.558 nan 8.180 nan 0.000 0.720 72 Y N 0.943 121.753 120.300 0.850 0.000 2.393 72 Y HA 0.334 4.884 4.550 0.000 0.000 0.320 72 Y C -1.395 174.959 175.900 0.756 0.000 1.241 72 Y CA -0.938 57.527 58.100 0.608 0.000 1.122 72 Y CB 0.811 39.455 38.460 0.308 0.000 1.322 72 Y HN 0.663 nan 8.280 nan 0.000 0.441 73 S N 5.526 121.182 115.700 -0.073 0.000 2.536 73 S HA 0.475 4.945 4.470 0.000 0.000 0.298 73 S C -0.381 173.782 174.600 -0.730 0.000 1.083 73 S CA -0.741 57.377 58.200 -0.137 0.000 0.995 73 S CB 1.867 65.026 63.200 -0.068 0.000 1.058 73 S HN 1.097 nan 8.310 nan 0.000 0.488 74 L N 1.418 122.314 121.223 -0.545 0.000 2.599 74 L HA 0.465 4.805 4.340 0.000 0.000 0.230 74 L C 0.543 177.073 176.870 -0.567 0.000 1.141 74 L CA 1.111 55.556 54.840 -0.658 0.000 0.877 74 L CB -0.745 40.923 42.059 -0.652 0.000 1.009 74 L HN 0.786 nan 8.230 nan 0.000 0.447 75 F N -1.053 118.759 119.950 -0.230 0.000 2.776 75 F HA 0.209 4.736 4.527 0.000 0.000 0.300 75 F C 1.018 176.773 175.800 -0.075 0.000 1.116 75 F CA -0.360 57.563 58.000 -0.129 0.000 1.375 75 F CB -0.375 38.520 39.000 -0.175 0.000 1.109 75 F HN 0.127 nan 8.300 nan 0.000 0.585 76 N N 0.441 119.149 118.700 0.015 0.000 2.399 76 N HA 0.002 4.742 4.740 0.000 0.000 0.259 76 N C 1.208 176.726 175.510 0.013 0.000 1.160 76 N CA 0.284 53.356 53.050 0.036 0.000 0.946 76 N CB 0.540 39.053 38.487 0.044 0.000 1.156 76 N HN 0.114 nan 8.380 nan 0.000 0.489 77 T N 0.929 115.509 114.554 0.042 0.000 2.848 77 T HA -0.265 4.085 4.350 0.000 0.000 0.269 77 T C 1.660 176.371 174.700 0.019 0.000 1.081 77 T CA 1.179 63.303 62.100 0.039 0.000 1.125 77 T CB -0.063 68.836 68.868 0.053 0.000 0.848 77 T HN 0.510 nan 8.240 nan 0.000 0.503 78 R N 0.617 121.123 120.500 0.010 0.000 2.074 78 R HA 0.099 4.440 4.340 0.000 0.000 0.218 78 R C 2.780 179.085 176.300 0.008 0.000 1.137 78 R CA 0.528 56.628 56.100 0.001 0.000 0.998 78 R CB -0.138 30.156 30.300 -0.010 0.000 0.895 78 R HN 0.426 nan 8.270 nan 0.000 0.442 79 Q N 0.171 119.984 119.800 0.022 0.000 2.173 79 Q HA -0.263 4.077 4.340 0.000 0.000 0.208 79 Q C 2.170 178.265 176.000 0.159 0.000 0.989 79 Q CA 1.899 57.775 55.803 0.121 0.000 0.872 79 Q CB -0.180 28.638 28.738 0.133 0.000 0.909 79 Q HN 0.250 nan 8.270 nan 0.000 0.420 80 R N 1.073 121.581 120.500 0.013 0.000 2.070 80 R HA -0.152 4.188 4.340 0.000 0.000 0.232 80 R C 2.033 178.276 176.300 -0.094 0.000 1.138 80 R CA 1.604 57.662 56.100 -0.070 0.000 0.936 80 R CB 0.013 30.241 30.300 -0.120 0.000 0.839 80 R HN 0.092 nan 8.270 nan 0.000 0.429 81 K N 0.280 120.643 120.400 -0.061 0.000 2.089 81 K HA -0.214 4.106 4.320 0.000 0.000 0.210 81 K C 2.074 178.631 176.600 -0.072 0.000 1.048 81 K CA 2.246 58.494 56.287 -0.066 0.000 0.926 81 K CB -0.077 32.406 32.500 -0.029 0.000 0.714 81 K HN 0.375 nan 8.250 nan 0.000 0.448 82 E N 0.177 120.352 120.200 -0.043 0.000 2.028 82 E HA -0.172 4.178 4.350 0.000 0.000 0.191 82 E C 2.110 178.666 176.600 -0.073 0.000 0.988 82 E CA 0.992 57.360 56.400 -0.052 0.000 0.799 82 E CB -0.147 29.537 29.700 -0.026 0.000 0.755 82 E HN 0.337 nan 8.360 nan 0.000 0.447 83 A N 1.232 124.026 122.820 -0.043 0.000 1.892 83 A HA -0.205 4.116 4.320 0.000 0.000 0.218 83 A C 2.118 179.656 177.584 -0.077 0.000 1.188 83 A CA 1.300 53.308 52.037 -0.048 0.000 0.631 83 A CB -0.616 18.387 19.000 0.005 0.000 0.822 83 A HN 0.191 nan 8.150 nan 0.000 0.447 84 L N 0.032 121.154 121.223 -0.168 0.000 2.551 84 L HA -0.048 4.292 4.340 0.000 0.000 0.228 84 L C 2.449 179.239 176.870 -0.134 0.000 1.153 84 L CA 1.499 56.174 54.840 -0.275 0.000 0.851 84 L CB -0.505 41.245 42.059 -0.514 0.000 0.959 84 L HN 0.603 nan 8.230 nan 0.000 0.451 85 M N -3.536 115.988 119.600 -0.127 0.000 2.287 85 M HA -0.075 4.405 4.480 0.000 0.000 0.266 85 M C 2.185 178.370 176.300 -0.192 0.000 1.079 85 M CA 1.371 56.587 55.300 -0.140 0.000 1.146 85 M CB -0.656 31.860 32.600 -0.141 0.000 1.374 85 M HN 0.131 nan 8.290 nan 0.000 0.435 86 L N 0.607 121.711 121.223 -0.199 0.000 2.042 86 L HA -0.187 4.153 4.340 0.000 0.000 0.210 86 L C 2.698 179.468 176.870 -0.167 0.000 1.076 86 L CA 1.534 56.234 54.840 -0.234 0.000 0.749 86 L CB -0.381 41.575 42.059 -0.172 0.000 0.893 86 L HN 0.272 nan 8.230 nan 0.000 0.432 87 F N 0.953 120.751 119.950 -0.252 0.000 2.065 87 F HA -0.300 4.227 4.527 0.000 0.000 0.298 87 F C 2.329 177.993 175.800 -0.227 0.000 1.112 87 F CA 1.679 59.530 58.000 -0.248 0.000 1.212 87 F CB -0.697 38.121 39.000 -0.304 0.000 0.975 87 F HN 0.069 nan 8.300 nan 0.000 0.476 88 A N -0.368 122.207 122.820 -0.409 0.000 2.131 88 A HA -0.046 4.275 4.320 0.000 0.000 0.220 88 A C 2.133 179.537 177.584 -0.299 0.000 1.158 88 A CA 1.771 53.565 52.037 -0.404 0.000 0.665 88 A CB -1.203 17.709 19.000 -0.147 0.000 0.795 88 A HN 0.356 nan 8.150 nan 0.000 0.460 89 V N -1.092 118.661 119.914 -0.267 0.000 2.339 89 V HA -0.077 4.043 4.120 0.000 0.000 0.234 89 V C 2.186 178.202 176.094 -0.130 0.000 1.053 89 V CA 1.088 63.289 62.300 -0.166 0.000 1.042 89 V CB -0.925 30.807 31.823 -0.152 0.000 0.678 89 V HN 0.422 nan 8.190 nan 0.000 0.475 90 L N 1.197 122.268 121.223 -0.253 0.000 2.151 90 L HA -0.310 4.031 4.340 0.000 0.000 0.219 90 L C 2.153 178.850 176.870 -0.288 0.000 1.083 90 L CA 2.589 57.132 54.840 -0.495 0.000 0.782 90 L CB -1.273 40.367 42.059 -0.699 0.000 0.891 90 L HN 0.553 nan 8.230 nan 0.000 0.439 91 N N -0.507 118.005 118.700 -0.313 0.000 2.142 91 N HA -0.163 4.577 4.740 0.000 0.000 0.186 91 N C 1.008 176.490 175.510 -0.046 0.000 1.023 91 N CA 1.243 54.140 53.050 -0.255 0.000 0.852 91 N CB 0.008 38.093 38.487 -0.670 0.000 0.998 91 N HN 0.620 nan 8.380 nan 0.000 0.424 92 Q N -0.284 119.513 119.800 -0.006 0.000 2.375 92 Q HA 0.272 4.612 4.340 0.000 0.000 0.316 92 Q C -0.649 175.455 176.000 0.173 0.000 0.927 92 Q CA -0.281 55.579 55.803 0.096 0.000 1.029 92 Q CB -0.041 28.746 28.738 0.081 0.000 1.202 92 Q HN 0.199 nan 8.270 nan 0.000 0.431 93 c N 1.446 120.136 118.600 0.149 0.000 2.463 93 c HA 0.198 4.768 4.570 0.000 0.000 0.380 93 c C 1.553 175.711 174.090 0.113 0.000 1.264 93 c CA -0.366 56.027 56.329 0.105 0.000 2.161 93 c CB 0.833 43.427 42.510 0.139 0.000 2.515 93 c HN 0.630 nan 8.230 nan 0.000 0.565 94 K N 0.670 121.108 120.400 0.063 0.000 2.116 94 K HA 0.025 4.345 4.320 0.000 0.000 0.203 94 K C 0.763 177.435 176.600 0.119 0.000 1.052 94 K CA 1.103 57.437 56.287 0.078 0.000 0.952 94 K CB 0.281 32.808 32.500 0.045 0.000 0.729 94 K HN 0.756 nan 8.250 nan 0.000 0.446 95 E N -1.923 118.364 120.200 0.146 0.000 2.445 95 E HA -0.011 4.339 4.350 0.000 0.000 0.279 95 E C -0.396 176.372 176.600 0.281 0.000 1.018 95 E CA -0.709 55.816 56.400 0.209 0.000 0.816 95 E CB 0.405 30.217 29.700 0.186 0.000 1.356 95 E HN 0.082 nan 8.360 nan 0.000 0.462 96 W N 1.237 122.567 121.300 0.050 0.000 2.290 96 W HA -0.342 4.319 4.660 0.000 0.000 0.311 96 W C 1.597 178.168 176.519 0.087 0.000 1.238 96 W CA 2.097 59.462 57.345 0.032 0.000 1.255 96 W CB -0.165 29.279 29.460 -0.026 0.000 1.145 96 W HN 0.783 nan 8.180 nan 0.000 0.506 97 Y N 0.725 121.099 120.300 0.124 0.000 2.181 97 Y HA -0.363 4.186 4.550 -0.000 0.000 0.284 97 Y C 2.521 178.391 175.900 -0.050 0.000 1.179 97 Y CA 2.202 60.319 58.100 0.029 0.000 1.179 97 Y CB -1.262 37.237 38.460 0.064 0.000 0.973 97 Y HN 0.026 nan 8.280 nan 0.000 0.519 98 c N -0.683 117.755 118.600 -0.270 0.000 2.485 98 c HA -0.014 4.556 4.570 0.000 0.000 0.278 98 c C 2.496 176.424 174.090 -0.270 0.000 1.356 98 c CA 0.388 56.500 56.329 -0.362 0.000 1.747 98 c CB -2.005 40.361 42.510 -0.240 0.000 2.001 98 c HN 0.622 nan 8.230 nan 0.000 0.501 99 F N 1.806 121.512 119.950 -0.407 0.000 2.053 99 F HA 0.122 4.649 4.527 0.000 0.000 0.292 99 F C 2.621 178.076 175.800 -0.576 0.000 1.125 99 F CA 1.750 59.464 58.000 -0.476 0.000 1.193 99 F CB -0.682 37.937 39.000 -0.636 0.000 0.996 99 F HN 0.050 nan 8.300 nan 0.000 0.470 100 R N -0.018 120.172 120.500 -0.516 0.000 2.136 100 R HA -0.243 4.097 4.340 0.000 0.000 0.242 100 R C 2.362 178.437 176.300 -0.375 0.000 1.131 100 R CA 2.094 57.929 56.100 -0.441 0.000 0.937 100 R CB -1.112 28.937 30.300 -0.419 0.000 0.863 100 R HN 0.269 nan 8.270 nan 0.000 0.435 101 S N 0.629 115.977 115.700 -0.588 0.000 2.377 101 S HA -0.214 4.256 4.470 0.000 0.000 0.224 101 S C 1.601 175.752 174.600 -0.748 0.000 1.042 101 S CA 2.093 59.688 58.200 -1.009 0.000 1.086 101 S CB -0.547 61.459 63.200 -1.990 0.000 0.995 101 S HN 0.405 nan 8.310 nan 0.000 0.428 102 N N 1.555 119.954 118.700 -0.502 0.000 2.025 102 N HA -0.007 4.733 4.740 0.000 0.000 0.194 102 N C 0.885 176.452 175.510 0.094 0.000 1.044 102 N CA 1.155 54.167 53.050 -0.063 0.000 0.851 102 N CB -0.255 38.316 38.487 0.139 0.000 1.036 102 N HN 0.393 nan 8.380 nan 0.000 0.422 103 A N -0.828 122.012 122.820 0.033 0.000 3.052 103 A HA 0.599 4.919 4.320 0.000 0.000 0.266 103 A C 0.581 178.227 177.584 0.102 0.000 1.855 103 A CA 0.619 52.791 52.037 0.225 0.000 1.473 103 A CB -0.916 18.182 19.000 0.163 0.000 1.038 103 A HN 0.425 nan 8.150 nan 0.000 0.619 104 A N -0.243 122.574 122.820 -0.004 0.000 2.373 104 A HA 0.148 4.468 4.320 0.000 0.000 0.190 104 A C 1.290 178.786 177.584 -0.147 0.000 1.544 104 A CA 0.631 52.611 52.037 -0.094 0.000 1.699 104 A CB -0.970 17.961 19.000 -0.115 0.000 1.614 104 A HN 0.719 nan 8.150 nan 0.000 0.667 105 Y N 0.680 120.819 120.300 -0.267 0.000 2.081 105 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 105 Y C 1.974 177.629 175.900 -0.408 0.000 1.163 105 Y CA 3.095 60.980 58.100 -0.358 0.000 1.135 105 Y CB -0.357 37.816 38.460 -0.479 0.000 0.970 105 Y HN 0.329 nan 8.280 nan 0.000 0.498 106 F N -0.213 119.754 119.950 0.029 0.000 2.118 106 F HA -0.051 4.476 4.527 0.001 0.000 0.293 106 F C 2.649 178.294 175.800 -0.259 0.000 1.102 106 F CA 1.480 59.457 58.000 -0.039 0.000 1.247 106 F CB -1.047 38.031 39.000 0.131 0.000 1.017 106 F HN -0.108 nan 8.300 nan 0.000 0.475 107 R N 1.065 121.387 120.500 -0.295 0.000 2.196 107 R HA -0.260 4.080 4.340 0.000 0.000 0.259 107 R C 1.581 177.552 176.300 -0.549 0.000 1.154 107 R CA 2.108 57.590 56.100 -1.030 0.000 0.976 107 R CB -0.627 29.113 30.300 -0.934 0.000 0.888 107 R HN 0.189 nan 8.270 nan 0.000 0.453 108 E N -0.362 119.627 120.200 -0.352 0.000 2.481 108 E HA -0.055 4.295 4.350 0.000 0.000 0.195 108 E C 1.236 177.708 176.600 -0.214 0.000 1.047 108 E CA 0.723 56.968 56.400 -0.259 0.000 0.867 108 E CB 0.105 29.662 29.700 -0.238 0.000 0.858 108 E HN 0.584 nan 8.360 nan 0.000 0.513 109 R N -1.930 118.458 120.500 -0.187 0.000 2.526 109 R HA 0.304 4.644 4.340 0.000 0.000 0.346 109 R C 0.348 176.639 176.300 -0.014 0.000 0.926 109 R CA -0.156 55.879 56.100 -0.109 0.000 1.147 109 R CB 0.170 30.375 30.300 -0.159 0.000 1.629 109 R HN 0.016 nan 8.270 nan 0.000 0.516 110 M N 1.889 121.494 119.600 0.010 0.000 2.528 110 M HA 0.274 4.754 4.480 0.000 0.000 0.318 110 M C -0.257 176.052 176.300 0.016 0.000 1.195 110 M CA -0.860 54.471 55.300 0.052 0.000 1.000 110 M CB 1.721 34.394 32.600 0.122 0.000 1.615 110 M HN 0.023 nan 8.290 nan 0.000 0.469 111 N N 1.291 120.004 118.700 0.022 0.000 2.479 111 N HA -0.028 4.713 4.740 0.000 0.000 0.257 111 N C 0.180 175.733 175.510 0.071 0.000 1.232 111 N CA 0.333 53.404 53.050 0.035 0.000 0.920 111 N CB 1.019 39.517 38.487 0.019 0.000 1.105 111 N HN 0.548 nan 8.380 nan 0.000 0.444 112 E N 1.998 122.266 120.200 0.113 0.000 2.118 112 E HA -0.077 4.273 4.350 0.000 0.000 0.195 112 E C 1.696 178.365 176.600 0.116 0.000 0.992 112 E CA 1.673 58.161 56.400 0.146 0.000 0.804 112 E CB -0.488 29.300 29.700 0.147 0.000 0.741 112 E HN 0.805 nan 8.360 nan 0.000 0.458 113 G N 1.048 109.862 108.800 0.022 0.000 2.394 113 G HA2 -0.260 3.700 3.960 0.000 0.000 0.214 113 G HA3 -0.260 3.700 3.960 0.000 0.000 0.214 113 G C 1.309 175.862 174.900 -0.580 0.000 1.176 113 G CA 0.640 45.636 45.100 -0.173 0.000 0.786 113 G HN 0.240 nan 8.290 nan 0.000 0.533 114 E N -0.167 119.604 120.200 -0.714 0.000 2.038 114 E HA -0.160 4.190 4.350 0.000 0.000 0.195 114 E C 2.151 178.677 176.600 -0.124 0.000 1.000 114 E CA 0.999 57.088 56.400 -0.518 0.000 0.803 114 E CB -0.320 29.222 29.700 -0.263 0.000 0.750 114 E HN 0.398 nan 8.360 nan 0.000 0.448 115 F N 1.966 121.837 119.950 -0.131 0.000 2.043 115 F HA -0.268 4.260 4.527 0.001 0.000 0.297 115 F C 2.303 178.119 175.800 0.027 0.000 1.121 115 F CA 1.399 59.380 58.000 -0.032 0.000 1.199 115 F CB -0.508 38.485 39.000 -0.012 0.000 0.968 115 F HN -0.218 nan 8.300 nan 0.000 0.478 116 V N -0.378 119.526 119.914 -0.018 0.000 2.255 116 V HA -0.358 3.762 4.120 0.000 0.000 0.247 116 V C 2.110 178.181 176.094 -0.038 0.000 1.051 116 V CA 2.331 64.604 62.300 -0.046 0.000 1.018 116 V CB -1.274 30.575 31.823 0.042 0.000 0.641 116 V HN 0.554 nan 8.190 nan 0.000 0.445 117 Y N 1.184 121.418 120.300 -0.111 0.000 2.097 117 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 117 Y C 2.435 178.318 175.900 -0.028 0.000 1.152 117 Y CA 2.016 60.094 58.100 -0.037 0.000 1.136 117 Y CB -0.648 37.825 38.460 0.022 0.000 0.975 117 Y HN 0.154 nan 8.280 nan 0.000 0.498 118 A N 0.084 122.899 122.820 -0.008 0.000 1.873 118 A HA -0.254 4.066 4.320 0.000 0.000 0.218 118 A C 2.190 179.687 177.584 -0.146 0.000 1.193 118 A CA 1.992 53.984 52.037 -0.075 0.000 0.629 118 A CB -1.400 17.544 19.000 -0.094 0.000 0.826 118 A HN 0.545 nan 8.150 nan 0.000 0.447 119 L N -1.646 119.382 121.223 -0.326 0.000 2.012 119 L HA -0.180 4.160 4.340 0.000 0.000 0.210 119 L C 2.358 179.207 176.870 -0.035 0.000 1.073 119 L CA 2.026 56.709 54.840 -0.262 0.000 0.748 119 L CB -0.998 40.743 42.059 -0.530 0.000 0.891 119 L HN 0.489 nan 8.230 nan 0.000 0.431 120 Y N -1.431 118.769 120.300 -0.168 0.000 2.114 120 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 120 Y C 2.618 178.468 175.900 -0.084 0.000 1.143 120 Y CA 1.931 59.962 58.100 -0.115 0.000 1.135 120 Y CB -0.926 37.443 38.460 -0.152 0.000 0.980 120 Y HN -0.038 nan 8.280 nan 0.000 0.499 121 V N -1.056 118.861 119.914 0.005 0.000 2.332 121 V HA -0.315 3.805 4.120 0.000 0.000 0.248 121 V C 2.293 178.564 176.094 0.294 0.000 1.055 121 V CA 2.216 64.537 62.300 0.035 0.000 1.038 121 V CB -0.760 30.945 31.823 -0.197 0.000 0.651 121 V HN 0.372 nan 8.190 nan 0.000 0.450 122 S N -0.553 115.346 115.700 0.331 0.000 2.356 122 S HA -0.162 4.308 4.470 0.000 0.000 0.223 122 S C 1.963 176.816 174.600 0.421 0.000 1.032 122 S CA 1.514 59.978 58.200 0.440 0.000 1.005 122 S CB -0.161 63.136 63.200 0.161 0.000 0.867 122 S HN 0.387 nan 8.310 nan 0.000 0.449 123 V N 2.265 122.373 119.914 0.325 0.000 2.295 123 V HA -0.160 3.960 4.120 0.000 0.000 0.246 123 V C 2.065 178.227 176.094 0.114 0.000 1.049 123 V CA 1.541 63.990 62.300 0.248 0.000 1.024 123 V CB -0.673 31.209 31.823 0.099 0.000 0.648 123 V HN 0.449 nan 8.190 nan 0.000 0.447 124 I N -0.680 119.906 120.570 0.026 0.000 2.163 124 I HA -0.269 3.901 4.170 0.000 0.000 0.243 124 I C 2.470 178.393 176.117 -0.323 0.000 1.085 124 I CA 1.747 62.954 61.300 -0.154 0.000 1.347 124 I CB -0.574 37.264 38.000 -0.269 0.000 1.044 124 I HN 0.413 nan 8.210 nan 0.000 0.408 125 H N -0.648 118.469 119.070 0.078 0.000 2.486 125 H HA 0.173 4.729 4.556 0.000 0.000 0.287 125 H C 1.417 176.829 175.328 0.139 0.000 1.010 125 H CA 0.270 56.379 56.048 0.102 0.000 1.324 125 H CB 0.186 30.212 29.762 0.440 0.000 1.446 125 H HN 0.170 nan 8.280 nan 0.000 0.537 126 S N 1.645 117.553 115.700 0.347 0.000 2.562 126 S HA -0.007 4.463 4.470 0.000 0.000 0.281 126 S C 1.442 176.156 174.600 0.190 0.000 1.333 126 S CA -0.701 57.683 58.200 0.306 0.000 1.052 126 S CB 0.792 64.226 63.200 0.390 0.000 0.884 126 S HN 0.193 nan 8.310 nan 0.000 0.506 127 K N 4.217 124.735 120.400 0.197 0.000 2.077 127 K HA -0.172 4.148 4.320 0.000 0.000 0.213 127 K C 1.666 178.355 176.600 0.149 0.000 1.051 127 K CA 1.543 57.929 56.287 0.165 0.000 0.929 127 K CB -0.774 31.826 32.500 0.168 0.000 0.715 127 K HN 0.682 nan 8.250 nan 0.000 0.451 128 L N 0.831 122.157 121.223 0.172 0.000 2.675 128 L HA -0.006 4.334 4.340 0.000 0.000 0.238 128 L C 1.266 178.136 176.870 -0.001 0.000 1.155 128 L CA 0.242 55.155 54.840 0.122 0.000 0.881 128 L CB -0.230 41.987 42.059 0.263 0.000 1.008 128 L HN 0.230 nan 8.230 nan 0.000 0.443 129 G N -1.852 106.963 108.800 0.025 0.000 4.331 129 G HA2 0.041 4.001 3.960 0.000 0.000 0.299 129 G HA3 0.041 4.001 3.960 0.000 0.000 0.299 129 G C 0.442 175.310 174.900 -0.055 0.000 1.158 129 G CA -0.363 44.701 45.100 -0.060 0.000 0.916 129 G HN 0.067 nan 8.290 nan 0.000 0.553 130 D N 1.426 121.785 120.400 -0.069 0.000 2.077 130 D HA -0.119 4.521 4.640 0.000 0.000 0.193 130 D C 2.599 178.837 176.300 -0.102 0.000 0.989 130 D CA 1.659 55.623 54.000 -0.060 0.000 0.831 130 D CB -0.210 40.555 40.800 -0.058 0.000 0.979 130 D HN 0.324 nan 8.370 nan 0.000 0.449 131 G N 1.500 110.207 108.800 -0.154 0.000 2.507 131 G HA2 -0.203 3.757 3.960 0.000 0.000 0.221 131 G HA3 -0.203 3.757 3.960 0.000 0.000 0.221 131 G C 1.107 175.934 174.900 -0.123 0.000 1.119 131 G CA 0.426 45.436 45.100 -0.150 0.000 0.751 131 G HN 0.263 nan 8.290 nan 0.000 0.574 132 I N 0.659 121.146 120.570 -0.139 0.000 2.692 132 I HA 0.213 4.383 4.170 0.000 0.000 0.284 132 I C -0.279 175.800 176.117 -0.063 0.000 1.159 132 I CA -0.373 60.864 61.300 -0.104 0.000 1.423 132 I CB 1.383 39.314 38.000 -0.114 0.000 1.380 132 I HN -0.252 nan 8.210 nan 0.000 0.580 133 V N 7.163 127.044 119.914 -0.054 0.000 2.448 133 V HA 0.366 4.486 4.120 0.000 0.000 0.295 133 V C 0.097 176.137 176.094 -0.090 0.000 1.025 133 V CA -0.581 61.695 62.300 -0.040 0.000 0.859 133 V CB 1.658 33.468 31.823 -0.021 0.000 0.988 133 V HN 0.460 nan 8.190 nan 0.000 0.431 134 L N 7.267 128.412 121.223 -0.131 0.000 2.326 134 L HA 0.454 4.794 4.340 0.000 0.000 0.278 134 L C -2.069 174.719 176.870 -0.137 0.000 1.092 134 L CA -1.672 53.026 54.840 -0.237 0.000 0.810 134 L CB 1.241 42.994 42.059 -0.510 0.000 1.153 134 L HN 0.426 nan 8.230 nan 0.000 0.439 135 P HA 0.101 nan 4.420 nan 0.000 0.269 135 P C -2.567 174.626 177.300 -0.179 0.000 1.217 135 P CA -1.095 61.918 63.100 -0.145 0.000 0.783 135 P CB -0.323 31.109 31.700 -0.446 0.000 0.898 136 P HA 0.154 nan 4.420 nan 0.000 0.276 136 P C 1.081 177.983 177.300 -0.664 0.000 1.253 136 P CA -0.001 62.719 63.100 -0.634 0.000 0.766 136 P CB 0.268 31.227 31.700 -1.234 0.000 0.845 137 L N 3.333 124.241 121.223 -0.525 0.000 2.010 137 L HA -0.322 4.018 4.340 0.000 0.000 0.219 137 L C 2.325 178.857 176.870 -0.563 0.000 1.077 137 L CA 2.121 56.684 54.840 -0.462 0.000 0.773 137 L CB -1.075 40.791 42.059 -0.322 0.000 0.892 137 L HN 0.487 nan 8.230 nan 0.000 0.436 138 Y N 0.373 120.058 120.300 -1.026 0.000 2.219 138 Y HA -0.340 4.210 4.550 0.000 0.000 0.283 138 Y C 2.413 178.187 175.900 -0.209 0.000 1.191 138 Y CA 1.654 59.231 58.100 -0.872 0.000 1.199 138 Y CB -1.369 36.468 38.460 -1.038 0.000 0.972 138 Y HN 0.457 nan 8.280 nan 0.000 0.527 139 Q N -0.642 119.098 119.800 -0.100 0.000 2.391 139 Q HA 0.107 4.447 4.340 0.000 0.000 0.211 139 Q C 1.831 177.868 176.000 0.061 0.000 0.908 139 Q CA 0.450 56.343 55.803 0.151 0.000 0.920 139 Q CB -0.055 28.834 28.738 0.252 0.000 1.056 139 Q HN 0.433 nan 8.270 nan 0.000 0.523 140 I N 2.472 122.984 120.570 -0.097 0.000 2.202 140 I HA -0.083 4.087 4.170 0.000 0.000 0.242 140 I C 1.273 177.455 176.117 0.108 0.000 1.091 140 I CA 1.625 62.874 61.300 -0.085 0.000 1.368 140 I CB -0.697 37.212 38.000 -0.151 0.000 1.058 140 I HN 0.302 nan 8.210 nan 0.000 0.410 141 T N -1.963 112.702 114.554 0.186 0.000 3.305 141 T HA 0.385 4.735 4.350 0.000 0.000 0.348 141 T C -2.134 172.808 174.700 0.404 0.000 1.394 141 T CA -1.416 60.916 62.100 0.387 0.000 1.549 141 T CB 1.315 70.393 68.868 0.351 0.000 0.962 141 T HN -0.108 nan 8.240 nan 0.000 0.609 142 P HA -0.036 nan 4.420 nan 0.000 0.231 142 P C 1.257 178.695 177.300 0.231 0.000 1.158 142 P CA 0.642 63.937 63.100 0.325 0.000 0.763 142 P CB -0.106 31.769 31.700 0.292 0.000 0.805 143 H N -1.526 117.688 119.070 0.240 0.000 2.495 143 H HA 0.121 4.677 4.556 0.000 0.000 0.287 143 H C 1.518 176.931 175.328 0.143 0.000 1.033 143 H CA 0.982 57.119 56.048 0.149 0.000 1.307 143 H CB 0.078 29.882 29.762 0.070 0.000 1.401 143 H HN 0.128 nan 8.280 nan 0.000 0.555 144 M N -0.687 119.076 119.600 0.272 0.000 2.514 144 M HA 0.011 4.491 4.480 0.000 0.000 0.258 144 M C 0.794 177.009 176.300 -0.142 0.000 1.119 144 M CA 0.749 56.080 55.300 0.052 0.000 1.111 144 M CB -0.301 32.312 32.600 0.022 0.000 1.390 144 M HN 0.131 nan 8.290 nan 0.000 0.475 145 F N -0.752 119.230 119.950 0.054 0.000 2.784 145 F HA 0.198 4.725 4.527 -0.000 0.000 0.323 145 F C 0.817 176.636 175.800 0.031 0.000 1.085 145 F CA -0.054 57.948 58.000 0.003 0.000 1.196 145 F CB 0.166 39.145 39.000 -0.036 0.000 1.053 145 F HN -0.171 nan 8.300 nan 0.000 0.578 146 T N -0.043 114.665 114.554 0.256 0.000 2.925 146 T HA 0.236 4.586 4.350 0.000 0.000 0.285 146 T C -0.176 174.585 174.700 0.102 0.000 1.021 146 T CA -0.661 61.579 62.100 0.234 0.000 1.042 146 T CB 1.565 70.585 68.868 0.253 0.000 1.037 146 T HN -0.152 nan 8.240 nan 0.000 0.481 147 N N 0.391 119.140 118.700 0.082 0.000 2.231 147 N HA 0.020 4.760 4.740 0.000 0.000 0.223 147 N C 1.357 176.862 175.510 -0.008 0.000 1.329 147 N CA 0.414 53.482 53.050 0.031 0.000 0.889 147 N CB 0.489 38.989 38.487 0.022 0.000 1.125 147 N HN 0.504 nan 8.380 nan 0.000 0.447 148 S N -0.483 115.208 115.700 -0.015 0.000 2.458 148 S HA 0.003 4.473 4.470 0.000 0.000 0.223 148 S C 1.451 175.992 174.600 -0.098 0.000 1.019 148 S CA 0.511 58.692 58.200 -0.032 0.000 0.937 148 S CB -0.264 62.940 63.200 0.006 0.000 0.788 148 S HN 0.616 nan 8.310 nan 0.000 0.511 149 E N 0.525 120.669 120.200 -0.094 0.000 2.015 149 E HA -0.097 4.253 4.350 0.000 0.000 0.191 149 E C 1.914 178.382 176.600 -0.221 0.000 0.991 149 E CA 1.505 57.825 56.400 -0.133 0.000 0.802 149 E CB -0.132 29.510 29.700 -0.096 0.000 0.759 149 E HN 0.368 nan 8.360 nan 0.000 0.447 150 V N 1.905 121.711 119.914 -0.181 0.000 2.392 150 V HA -0.275 3.845 4.120 0.000 0.000 0.249 150 V C 2.493 178.403 176.094 -0.306 0.000 1.059 150 V CA 1.160 63.324 62.300 -0.227 0.000 1.051 150 V CB -0.440 31.346 31.823 -0.063 0.000 0.658 150 V HN 0.394 nan 8.190 nan 0.000 0.455 151 I N 0.300 120.701 120.570 -0.281 0.000 2.163 151 I HA -0.220 3.950 4.170 0.000 0.000 0.243 151 I C 2.259 178.019 176.117 -0.596 0.000 1.085 151 I CA 1.853 62.893 61.300 -0.434 0.000 1.347 151 I CB -1.168 36.570 38.000 -0.436 0.000 1.044 151 I HN 0.347 nan 8.210 nan 0.000 0.408 152 D N 0.592 120.724 120.400 -0.447 0.000 2.144 152 D HA -0.130 4.510 4.640 0.000 0.000 0.200 152 D C 2.208 178.310 176.300 -0.330 0.000 0.978 152 D CA 0.863 54.650 54.000 -0.356 0.000 0.833 152 D CB -0.022 40.665 40.800 -0.188 0.000 0.961 152 D HN 0.301 nan 8.370 nan 0.000 0.470 153 K N 0.403 120.500 120.400 -0.504 0.000 2.147 153 K HA -0.024 4.296 4.320 0.000 0.000 0.205 153 K C 2.003 178.194 176.600 -0.682 0.000 1.049 153 K CA 0.989 56.777 56.287 -0.831 0.000 0.936 153 K CB -0.026 31.532 32.500 -1.571 0.000 0.722 153 K HN 0.057 nan 8.250 nan 0.000 0.446 154 A N 0.832 123.402 122.820 -0.417 0.000 1.929 154 A HA -0.130 4.190 4.320 0.000 0.000 0.216 154 A C 1.779 179.453 177.584 0.150 0.000 1.176 154 A CA 0.987 53.055 52.037 0.051 0.000 0.628 154 A CB -0.540 18.490 19.000 0.051 0.000 0.816 154 A HN 0.188 nan 8.150 nan 0.000 0.444 155 Y N 0.431 120.724 120.300 -0.012 0.000 2.293 155 Y HA -0.060 4.491 4.550 0.000 0.000 0.291 155 Y C 2.925 178.837 175.900 0.019 0.000 1.137 155 Y CA 0.521 58.632 58.100 0.019 0.000 1.202 155 Y CB -1.026 37.444 38.460 0.018 0.000 0.990 155 Y HN 0.267 nan 8.280 nan 0.000 0.537 156 S N -0.229 115.551 115.700 0.135 0.000 2.357 156 S HA -0.109 4.361 4.470 0.000 0.000 0.221 156 S C 2.383 177.056 174.600 0.121 0.000 1.031 156 S CA 0.852 59.106 58.200 0.091 0.000 0.982 156 S CB -0.577 62.640 63.200 0.028 0.000 0.853 156 S HN 0.474 nan 8.310 nan 0.000 0.458 157 A N 2.214 125.138 122.820 0.174 0.000 1.863 157 A HA -0.293 4.027 4.320 0.000 0.000 0.218 157 A C 2.007 179.674 177.584 0.138 0.000 1.233 157 A CA 2.414 54.574 52.037 0.205 0.000 0.655 157 A CB -0.952 18.225 19.000 0.295 0.000 0.839 157 A HN 0.368 nan 8.150 nan 0.000 0.454 158 K N -0.219 120.270 120.400 0.150 0.000 2.034 158 K HA -0.192 4.128 4.320 0.000 0.000 0.214 158 K C 2.074 178.724 176.600 0.084 0.000 1.051 158 K CA 2.469 58.825 56.287 0.116 0.000 0.931 158 K CB -0.646 31.935 32.500 0.134 0.000 0.715 158 K HN 0.628 nan 8.250 nan 0.000 0.446 159 M N -0.145 119.505 119.600 0.083 0.000 2.088 159 M HA -0.193 4.287 4.480 0.000 0.000 0.256 159 M C 2.097 178.427 176.300 0.050 0.000 1.071 159 M CA 2.668 58.002 55.300 0.056 0.000 1.097 159 M CB -1.235 31.398 32.600 0.054 0.000 1.315 159 M HN 0.365 nan 8.290 nan 0.000 0.406 160 T N -2.566 112.023 114.554 0.057 0.000 3.113 160 T HA 0.028 4.378 4.350 0.000 0.000 0.256 160 T C 0.724 175.451 174.700 0.045 0.000 1.131 160 T CA 0.201 62.330 62.100 0.048 0.000 1.074 160 T CB -0.219 68.678 68.868 0.049 0.000 0.944 160 T HN 0.554 nan 8.240 nan 0.000 0.516 161 Q N -0.212 119.619 119.800 0.052 0.000 2.487 161 Q HA -0.171 4.169 4.340 0.000 0.000 0.279 161 Q C -0.323 175.699 176.000 0.037 0.000 1.228 161 Q CA 0.671 56.500 55.803 0.043 0.000 0.873 161 Q CB -1.592 27.165 28.738 0.031 0.000 1.260 161 Q HN 0.658 nan 8.270 nan 0.000 0.471 162 K N 1.025 121.454 120.400 0.048 0.000 2.207 162 K HA 0.540 4.860 4.320 0.000 0.000 0.255 162 K C -2.428 174.194 176.600 0.037 0.000 0.941 162 K CA -1.975 54.333 56.287 0.035 0.000 0.825 162 K CB 1.779 34.304 32.500 0.040 0.000 1.119 162 K HN -0.165 nan 8.250 nan 0.000 0.430 163 P HA 0.612 nan 4.420 nan 0.000 0.317 163 P C -0.928 176.307 177.300 -0.109 0.000 1.301 163 P CA -0.541 62.539 63.100 -0.033 0.000 0.799 163 P CB 1.386 33.064 31.700 -0.038 0.000 1.344 164 G N -1.554 107.118 108.800 -0.213 0.000 2.348 164 G HA2 0.360 4.320 3.960 0.000 0.000 0.606 164 G HA3 0.360 4.320 3.960 0.000 0.000 0.606 164 G C -0.965 173.517 174.900 -0.697 0.000 1.466 164 G CA -0.324 44.553 45.100 -0.371 0.000 0.950 164 G HN 0.737 nan 8.290 nan 0.000 0.657 165 T N -1.031 113.148 114.554 -0.625 0.000 2.829 165 T HA 0.781 5.132 4.350 0.000 0.000 0.282 165 T C -0.411 173.857 174.700 -0.719 0.000 0.990 165 T CA -0.613 61.111 62.100 -0.628 0.000 1.028 165 T CB 0.927 69.602 68.868 -0.320 0.000 0.951 165 T HN 0.763 nan 8.240 nan 0.000 0.460 166 F N 1.840 121.722 119.950 -0.113 0.000 2.450 166 F HA 0.498 5.025 4.527 -0.000 0.000 0.332 166 F C 0.582 176.303 175.800 -0.131 0.000 1.093 166 F CA -1.407 56.528 58.000 -0.108 0.000 1.003 166 F CB 1.137 40.078 39.000 -0.098 0.000 1.151 166 F HN 0.442 nan 8.300 nan 0.000 0.474 167 N N 1.763 120.498 118.700 0.059 0.000 2.444 167 N HA 0.357 5.097 4.740 0.000 0.000 0.271 167 N C -0.616 174.867 175.510 -0.045 0.000 1.069 167 N CA -0.337 52.680 53.050 -0.055 0.000 0.965 167 N CB 1.568 39.996 38.487 -0.098 0.000 1.092 167 N HN 0.507 nan 8.380 nan 0.000 0.476 168 V N 0.358 120.226 119.914 -0.077 0.000 2.785 168 V HA 0.446 4.566 4.120 0.000 0.000 0.300 168 V C 1.187 177.197 176.094 -0.141 0.000 1.062 168 V CA -0.330 61.933 62.300 -0.061 0.000 1.029 168 V CB 1.427 33.253 31.823 0.005 0.000 1.024 168 V HN 0.696 nan 8.190 nan 0.000 0.477 169 S N 1.539 117.181 115.700 -0.098 0.000 2.460 169 S HA 0.403 4.873 4.470 0.000 0.000 0.226 169 S C 0.313 174.892 174.600 -0.035 0.000 1.057 169 S CA 0.261 58.404 58.200 -0.095 0.000 0.948 169 S CB -0.474 62.722 63.200 -0.006 0.000 0.822 169 S HN 1.220 nan 8.310 nan 0.000 0.512 176 N N -0.011 118.725 118.700 0.060 0.000 2.444 176 N HA -0.045 4.695 4.740 0.000 0.000 0.335 176 N C -0.035 175.506 175.510 0.053 0.000 1.190 176 N CA -0.033 53.048 53.050 0.051 0.000 2.067 176 N CB 0.460 38.974 38.487 0.045 0.000 2.132 176 N HN 0.324 nan 8.380 nan 0.000 1.114 177 R N 0.666 121.203 120.500 0.061 0.000 2.642 177 R HA 0.359 4.699 4.340 0.000 0.000 0.103 177 R C -0.416 175.919 176.300 0.058 0.000 1.144 177 R CA 0.124 56.261 56.100 0.060 0.000 0.955 177 R CB 0.128 30.469 30.300 0.069 0.000 0.817 177 R HN 0.127 nan 8.270 nan 0.000 0.381 178 E N 0.386 120.621 120.200 0.058 0.000 3.303 178 E HA 0.106 4.456 4.350 0.000 0.000 0.142 178 E C -0.749 175.879 176.600 0.045 0.000 0.921 178 E CA -0.138 56.287 56.400 0.041 0.000 1.460 178 E CB 0.540 30.264 29.700 0.040 0.000 1.036 178 E HN 0.166 nan 8.360 nan 0.000 0.407 179 Q N 1.338 121.169 119.800 0.052 0.000 2.628 179 Q HA 0.307 4.647 4.340 0.000 0.000 0.397 179 Q C 0.181 176.201 176.000 0.033 0.000 0.916 179 Q CA -0.029 55.798 55.803 0.040 0.000 1.071 179 Q CB 1.144 29.930 28.738 0.079 0.000 1.367 179 Q HN 0.438 nan 8.270 nan 0.000 0.404 180 R N -0.792 119.720 120.500 0.020 0.000 2.612 180 R HA 0.166 4.506 4.340 0.000 0.000 0.260 180 R C 0.350 176.693 176.300 0.071 0.000 0.943 180 R CA 0.205 56.343 56.100 0.064 0.000 1.036 180 R CB 0.952 31.295 30.300 0.071 0.000 1.520 180 R HN 0.066 nan 8.270 nan 0.000 0.563 181 V N 0.906 120.781 119.914 -0.065 0.000 3.159 181 V HA 0.434 4.554 4.120 0.000 0.000 0.333 181 V C 1.026 176.889 176.094 -0.385 0.000 1.424 181 V CA 0.693 62.832 62.300 -0.267 0.000 1.125 181 V CB 0.844 32.466 31.823 -0.335 0.000 1.075 181 V HN 0.410 nan 8.190 nan 0.000 0.482 182 A N 0.388 123.031 122.820 -0.296 0.000 1.930 182 A HA -0.163 4.157 4.320 0.000 0.000 0.217 182 A C 1.836 179.111 177.584 -0.514 0.000 1.175 182 A CA 2.021 53.850 52.037 -0.346 0.000 0.627 182 A CB -0.649 18.108 19.000 -0.406 0.000 0.815 182 A HN 0.920 nan 8.150 nan 0.000 0.443 183 Y N -2.411 117.555 120.300 -0.557 0.000 2.298 183 Y HA -0.166 4.384 4.550 0.000 0.000 0.287 183 Y C 1.869 177.796 175.900 0.045 0.000 1.164 183 Y CA 1.098 59.011 58.100 -0.312 0.000 1.229 183 Y CB -0.874 37.639 38.460 0.088 0.000 0.977 183 Y HN 0.261 nan 8.280 nan 0.000 0.538 184 F N 1.591 121.120 119.950 -0.703 0.000 2.094 184 F HA 0.173 4.700 4.527 0.000 0.000 0.291 184 F C 2.494 178.202 175.800 -0.154 0.000 1.109 184 F CA 1.738 59.496 58.000 -0.403 0.000 1.221 184 F CB -0.764 37.903 39.000 -0.555 0.000 1.014 184 F HN 0.063 nan 8.300 nan 0.000 0.473 185 G N -0.533 108.313 108.800 0.076 0.000 2.408 185 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 185 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 185 G C 1.278 176.150 174.900 -0.046 0.000 1.150 185 G CA 0.690 45.828 45.100 0.064 0.000 0.776 185 G HN 0.478 nan 8.290 nan 0.000 0.542 186 E N 0.395 120.579 120.200 -0.027 0.000 2.465 186 E HA 0.050 4.400 4.350 0.000 0.000 0.191 186 E C -0.022 176.615 176.600 0.063 0.000 1.053 186 E CA -0.406 56.012 56.400 0.029 0.000 0.869 186 E CB 0.313 30.074 29.700 0.103 0.000 0.977 186 E HN 0.306 nan 8.360 nan 0.000 0.483 187 D N 1.209 121.611 120.400 0.004 0.000 2.350 187 D HA -0.020 4.620 4.640 0.000 0.000 0.249 187 D C 1.307 177.595 176.300 -0.021 0.000 1.119 187 D CA -0.200 53.802 54.000 0.002 0.000 0.886 187 D CB 1.056 41.833 40.800 -0.039 0.000 1.195 187 D HN 0.142 nan 8.370 nan 0.000 0.437 188 I N 1.220 121.751 120.570 -0.066 0.000 2.916 188 I HA 0.087 4.257 4.170 0.000 0.000 0.267 188 I C 1.608 177.718 176.117 -0.012 0.000 1.263 188 I CA 0.654 61.916 61.300 -0.064 0.000 1.471 188 I CB -0.086 37.562 38.000 -0.586 0.000 1.089 188 I HN 0.335 nan 8.210 nan 0.000 0.468 189 G N 0.922 109.675 108.800 -0.079 0.000 2.441 189 G HA2 0.007 3.967 3.960 0.000 0.000 0.212 189 G HA3 0.007 3.967 3.960 0.000 0.000 0.212 189 G C 1.559 176.491 174.900 0.054 0.000 1.164 189 G CA 0.186 45.274 45.100 -0.019 0.000 0.811 189 G HN 0.138 nan 8.290 nan 0.000 0.535 190 M N 1.085 120.672 119.600 -0.022 0.000 2.077 190 M HA -0.025 4.455 4.480 0.000 0.000 0.261 190 M C 2.276 178.640 176.300 0.107 0.000 1.070 190 M CA 1.038 56.325 55.300 -0.022 0.000 1.125 190 M CB -1.385 31.048 32.600 -0.278 0.000 1.339 190 M HN 0.308 nan 8.290 nan 0.000 0.409 191 N N 0.356 119.115 118.700 0.098 0.000 2.061 191 N HA -0.194 4.546 4.740 0.000 0.000 0.193 191 N C 1.708 177.428 175.510 0.349 0.000 1.030 191 N CA 1.058 54.211 53.050 0.170 0.000 0.856 191 N CB -0.019 38.518 38.487 0.083 0.000 1.023 191 N HN 0.170 nan 8.380 nan 0.000 0.424 192 I N 1.166 121.989 120.570 0.421 0.000 2.058 192 I HA -0.290 3.880 4.170 0.000 0.000 0.235 192 I C 2.421 178.717 176.117 0.298 0.000 1.053 192 I CA 1.658 63.176 61.300 0.363 0.000 1.313 192 I CB -1.639 36.515 38.000 0.257 0.000 1.039 192 I HN 0.281 nan 8.210 nan 0.000 0.396 193 H N 0.528 119.703 119.070 0.175 0.000 2.272 193 H HA -0.296 4.260 4.556 0.000 0.000 0.289 193 H C 2.448 177.925 175.328 0.248 0.000 1.100 193 H CA 2.677 58.826 56.048 0.168 0.000 1.209 193 H CB -0.848 28.969 29.762 0.092 0.000 1.348 193 H HN 0.489 nan 8.280 nan 0.000 0.481 194 H N -0.627 118.363 119.070 -0.133 0.000 2.287 194 H HA -0.219 4.338 4.556 0.000 0.000 0.292 194 H C 2.587 177.946 175.328 0.052 0.000 1.068 194 H CA 2.729 58.672 56.048 -0.176 0.000 1.192 194 H CB -0.463 29.238 29.762 -0.101 0.000 1.360 194 H HN 0.363 nan 8.280 nan 0.000 0.516 195 V N 0.142 120.137 119.914 0.135 0.000 2.250 195 V HA -0.290 3.830 4.120 0.000 0.000 0.250 195 V C 2.162 178.389 176.094 0.222 0.000 1.060 195 V CA 2.800 65.230 62.300 0.216 0.000 1.030 195 V CB -1.263 30.733 31.823 0.289 0.000 0.643 195 V HN 0.588 nan 8.190 nan 0.000 0.445 196 T N -1.048 113.618 114.554 0.186 0.000 2.635 196 T HA -0.289 4.061 4.350 0.000 0.000 0.267 196 T C 1.258 176.013 174.700 0.093 0.000 1.040 196 T CA 2.313 64.495 62.100 0.137 0.000 1.156 196 T CB -0.714 68.244 68.868 0.151 0.000 0.863 196 T HN 0.837 nan 8.240 nan 0.000 0.430 197 W N 1.772 123.046 121.300 -0.044 0.000 2.308 197 W HA -0.209 4.451 4.660 0.000 0.000 0.301 197 W C 1.865 178.348 176.519 -0.060 0.000 1.220 197 W CA 1.449 58.746 57.345 -0.080 0.000 1.240 197 W CB -0.252 29.023 29.460 -0.309 0.000 1.142 197 W HN 0.419 nan 8.180 nan 0.000 0.521 198 H N -1.055 118.136 119.070 0.201 0.000 2.538 198 H HA 0.157 4.713 4.556 0.000 0.000 0.286 198 H C 1.468 176.818 175.328 0.036 0.000 1.035 198 H CA 0.855 56.980 56.048 0.129 0.000 1.169 198 H CB -0.103 29.647 29.762 -0.021 0.000 1.417 198 H HN 0.349 nan 8.280 nan 0.000 0.567 199 M N -0.736 118.876 119.600 0.019 0.000 2.564 199 M HA 0.007 4.487 4.480 0.000 0.000 0.254 199 M C 1.063 177.275 176.300 -0.146 0.000 1.299 199 M CA 0.330 55.617 55.300 -0.023 0.000 1.143 199 M CB 0.746 33.355 32.600 0.015 0.000 1.427 199 M HN -0.039 nan 8.290 nan 0.000 0.538 200 D N 0.613 120.806 120.400 -0.346 0.000 2.084 200 D HA -0.049 4.591 4.640 0.000 0.000 0.196 200 D C -0.221 175.486 176.300 -0.988 0.000 0.985 200 D CA 1.565 55.133 54.000 -0.720 0.000 0.826 200 D CB 0.140 40.416 40.800 -0.874 0.000 0.978 200 D HN 0.219 nan 8.370 nan 0.000 0.456 201 F N 0.309 119.840 119.950 -0.698 0.000 2.564 201 F HA 0.381 4.908 4.527 0.000 0.000 0.368 201 F C -2.375 173.066 175.800 -0.597 0.000 1.127 201 F CA -2.438 55.105 58.000 -0.762 0.000 1.170 201 F CB 1.484 39.948 39.000 -0.894 0.000 1.397 201 F HN -0.261 nan 8.300 nan 0.000 0.493 202 P HA 0.127 nan 4.420 nan 0.000 0.278 202 P C 0.775 177.792 177.300 -0.473 0.000 1.238 202 P CA -0.498 62.188 63.100 -0.689 0.000 0.794 202 P CB 0.582 31.270 31.700 -1.687 0.000 0.955 203 F N 1.085 120.976 119.950 -0.098 0.000 2.234 203 F HA -0.012 4.515 4.527 0.000 0.000 0.299 203 F C 1.487 177.326 175.800 0.065 0.000 1.087 203 F CA 0.264 58.299 58.000 0.058 0.000 1.340 203 F CB -1.531 37.612 39.000 0.239 0.000 1.031 203 F HN 0.392 nan 8.300 nan 0.000 0.500 204 W N -0.624 120.633 121.300 -0.072 0.000 3.180 204 W HA 0.104 4.764 4.660 0.001 0.000 0.254 204 W C 0.484 177.126 176.519 0.204 0.000 1.318 204 W CA -1.213 56.180 57.345 0.079 0.000 1.608 204 W CB -1.130 28.261 29.460 -0.115 0.000 1.124 204 W HN 0.087 nan 8.180 nan 0.000 0.694 205 W N 4.567 125.794 121.300 -0.121 0.000 2.308 205 W HA 0.161 4.821 4.660 0.000 0.000 0.324 205 W C -0.636 176.008 176.519 0.209 0.000 1.387 205 W CA 0.560 57.925 57.345 0.033 0.000 1.250 205 W CB 0.568 29.805 29.460 -0.372 0.000 1.257 205 W HN 0.004 nan 8.180 nan 0.000 0.554 206 E N 3.774 123.860 120.200 -0.189 0.000 2.183 206 E HA 0.032 4.382 4.350 0.000 0.000 0.271 206 E C -0.099 176.105 176.600 -0.660 0.000 0.919 206 E CA -0.542 55.670 56.400 -0.315 0.000 0.781 206 E CB 1.347 30.815 29.700 -0.387 0.000 1.140 206 E HN 0.360 nan 8.360 nan 0.000 0.402 207 D N 0.828 121.072 120.400 -0.258 0.000 2.390 207 D HA -0.073 4.567 4.640 0.000 0.000 0.235 207 D C 0.950 177.106 176.300 -0.239 0.000 1.040 207 D CA 0.607 54.512 54.000 -0.159 0.000 0.923 207 D CB 0.169 41.038 40.800 0.116 0.000 0.886 207 D HN 0.165 nan 8.370 nan 0.000 0.532 208 S N -0.158 115.285 115.700 -0.429 0.000 2.406 208 S HA -0.126 4.344 4.470 0.000 0.000 0.228 208 S C 1.183 175.588 174.600 -0.326 0.000 1.020 208 S CA 0.336 58.327 58.200 -0.349 0.000 0.965 208 S CB -0.269 62.686 63.200 -0.409 0.000 0.798 208 S HN 0.346 nan 8.310 nan 0.000 0.488 209 Y N 1.755 121.801 120.300 -0.423 0.000 2.556 209 Y HA 0.064 4.614 4.550 0.000 0.000 0.290 209 Y C 2.149 177.926 175.900 -0.204 0.000 1.149 209 Y CA 0.362 58.182 58.100 -0.466 0.000 1.329 209 Y CB -0.820 37.068 38.460 -0.954 0.000 0.975 209 Y HN 0.431 nan 8.280 nan 0.000 0.561 210 G N -2.515 106.294 108.800 0.016 0.000 2.901 210 G HA2 -0.134 3.826 3.960 0.000 0.000 0.194 210 G HA3 -0.134 3.826 3.960 0.000 0.000 0.194 210 G C -0.197 175.018 174.900 0.525 0.000 1.020 210 G CA -0.144 45.141 45.100 0.309 0.000 0.787 210 G HN 0.368 nan 8.290 nan 0.000 0.477 211 Y N -1.169 119.424 120.300 0.489 0.000 2.905 211 Y HA 0.839 5.389 4.550 0.000 0.000 0.322 211 Y C -0.685 175.613 175.900 0.663 0.000 1.455 211 Y CA -1.530 56.856 58.100 0.476 0.000 1.083 211 Y CB 0.564 39.268 38.460 0.407 0.000 1.473 211 Y HN 0.348 nan 8.280 nan 0.000 0.449 212 H N 0.528 119.932 119.070 0.556 0.000 2.658 212 H HA 0.627 5.183 4.556 0.000 0.000 0.337 212 H C -1.824 173.762 175.328 0.431 0.000 1.009 212 H CA -0.848 55.505 56.048 0.507 0.000 1.231 212 H CB 1.086 31.058 29.762 0.349 0.000 1.508 212 H HN 0.626 nan 8.280 nan 0.000 0.517 213 L N 5.340 126.632 121.223 0.115 0.000 2.433 213 L HA 0.032 4.372 4.340 0.000 0.000 0.275 213 L C 1.459 178.427 176.870 0.163 0.000 1.128 213 L CA 0.452 55.361 54.840 0.115 0.000 0.875 213 L CB 0.236 42.238 42.059 -0.095 0.000 1.171 213 L HN 0.861 nan 8.230 nan 0.000 0.463 214 D N 2.581 123.200 120.400 0.365 0.000 2.242 214 D HA -0.214 4.426 4.640 0.000 0.000 0.193 214 D C 1.264 177.752 176.300 0.313 0.000 1.005 214 D CA 1.925 56.166 54.000 0.403 0.000 0.856 214 D CB 0.298 41.273 40.800 0.291 0.000 1.001 214 D HN 0.493 nan 8.370 nan 0.000 0.452 215 R N -0.672 119.903 120.500 0.125 0.000 2.662 215 R HA 0.205 4.545 4.340 0.000 0.000 0.396 215 R C -0.409 175.886 176.300 -0.009 0.000 1.096 215 R CA -0.278 55.866 56.100 0.074 0.000 1.081 215 R CB 0.772 31.080 30.300 0.013 0.000 1.382 215 R HN 0.061 nan 8.270 nan 0.000 0.580 216 K N 0.642 121.010 120.400 -0.054 0.000 2.402 216 K HA 0.083 4.403 4.320 0.000 0.000 0.279 216 K C 0.767 177.410 176.600 0.072 0.000 1.082 216 K CA 0.788 57.024 56.287 -0.085 0.000 1.080 216 K CB 0.686 33.112 32.500 -0.123 0.000 0.899 216 K HN 0.426 nan 8.250 nan 0.000 0.469 217 G N 3.141 112.036 108.800 0.159 0.000 3.957 217 G HA2 -0.196 3.764 3.960 0.000 0.000 0.131 217 G HA3 -0.196 3.764 3.960 0.000 0.000 0.131 217 G C 0.750 175.784 174.900 0.224 0.000 2.236 217 G CA -0.485 44.730 45.100 0.192 0.000 1.096 217 G HN 0.537 nan 8.290 nan 0.000 0.322 218 E N 0.572 120.866 120.200 0.157 0.000 2.072 218 E HA 0.004 4.354 4.350 0.000 0.000 0.191 218 E C 2.536 179.223 176.600 0.144 0.000 0.985 218 E CA 1.028 57.538 56.400 0.183 0.000 0.801 218 E CB -0.009 29.755 29.700 0.106 0.000 0.750 218 E HN 0.264 nan 8.360 nan 0.000 0.452 219 L N 0.534 121.787 121.223 0.050 0.000 1.990 219 L HA -0.202 4.138 4.340 0.000 0.000 0.213 219 L C 2.248 179.157 176.870 0.065 0.000 1.072 219 L CA 1.626 56.497 54.840 0.051 0.000 0.755 219 L CB -1.077 40.902 42.059 -0.134 0.000 0.889 219 L HN 0.125 nan 8.230 nan 0.000 0.432 220 F N -0.307 119.671 119.950 0.046 0.000 2.069 220 F HA -0.327 4.200 4.527 0.000 0.000 0.298 220 F C 2.536 178.295 175.800 -0.069 0.000 1.113 220 F CA 1.567 59.547 58.000 -0.033 0.000 1.214 220 F CB -0.672 38.416 39.000 0.147 0.000 0.978 220 F HN 0.165 nan 8.300 nan 0.000 0.474 221 F N 0.810 120.732 119.950 -0.046 0.000 2.032 221 F HA -0.331 4.196 4.527 0.000 0.000 0.297 221 F C 2.376 178.031 175.800 -0.242 0.000 1.125 221 F CA 2.368 60.027 58.000 -0.567 0.000 1.202 221 F CB -1.620 36.928 39.000 -0.753 0.000 0.958 221 F HN 0.337 nan 8.300 nan 0.000 0.491 222 W N 1.193 121.853 121.300 -1.067 0.000 2.333 222 W HA -0.235 4.425 4.660 0.000 0.000 0.316 222 W C 2.297 178.413 176.519 -0.672 0.000 1.215 222 W CA 2.370 59.121 57.345 -0.991 0.000 1.278 222 W CB -0.633 28.500 29.460 -0.546 0.000 1.154 222 W HN -0.043 nan 8.180 nan 0.000 0.486 223 V N 0.795 120.297 119.914 -0.687 0.000 2.324 223 V HA -0.357 3.763 4.120 0.000 0.000 0.250 223 V C 1.910 177.398 176.094 -1.009 0.000 1.060 223 V CA 2.571 64.281 62.300 -0.983 0.000 1.042 223 V CB -1.241 29.648 31.823 -1.557 0.000 0.650 223 V HN 0.241 nan 8.190 nan 0.000 0.450 224 H N -1.946 116.697 119.070 -0.713 0.000 2.448 224 H HA -0.036 4.520 4.556 0.000 0.000 0.292 224 H C 2.235 177.353 175.328 -0.349 0.000 1.035 224 H CA 1.305 57.064 56.048 -0.481 0.000 1.349 224 H CB -0.282 29.244 29.762 -0.393 0.000 1.425 224 H HN 0.550 nan 8.280 nan 0.000 0.539 225 H N 0.914 119.686 119.070 -0.496 0.000 2.387 225 H HA -0.112 4.444 4.556 0.000 0.000 0.299 225 H C 1.497 176.467 175.328 -0.598 0.000 1.090 225 H CA 1.300 57.019 56.048 -0.550 0.000 1.332 225 H CB 0.417 29.637 29.762 -0.903 0.000 1.386 225 H HN 0.444 nan 8.280 nan 0.000 0.516 226 Q N -0.140 119.135 119.800 -0.875 0.000 2.096 226 Q HA -0.071 4.269 4.340 0.000 0.000 0.197 226 Q C 2.579 178.344 176.000 -0.391 0.000 0.964 226 Q CA 0.560 55.897 55.803 -0.776 0.000 0.838 226 Q CB 0.262 28.458 28.738 -0.904 0.000 0.906 226 Q HN 0.307 nan 8.270 nan 0.000 0.444 227 L N 0.332 121.387 121.223 -0.279 0.000 1.990 227 L HA -0.229 4.111 4.340 0.000 0.000 0.213 227 L C 2.397 179.324 176.870 0.094 0.000 1.072 227 L CA 1.932 56.790 54.840 0.030 0.000 0.755 227 L CB -1.001 41.103 42.059 0.075 0.000 0.889 227 L HN 0.203 nan 8.230 nan 0.000 0.432 228 T N -0.724 113.846 114.554 0.027 0.000 2.737 228 T HA -0.245 4.105 4.350 0.000 0.000 0.269 228 T C 1.889 176.568 174.700 -0.034 0.000 1.040 228 T CA 1.383 63.542 62.100 0.099 0.000 1.142 228 T CB -0.424 68.518 68.868 0.123 0.000 0.861 228 T HN 0.465 nan 8.240 nan 0.000 0.456 229 A N 1.857 124.529 122.820 -0.247 0.000 1.840 229 A HA -0.029 4.291 4.320 0.000 0.000 0.214 229 A C 2.373 179.852 177.584 -0.175 0.000 1.198 229 A CA 1.054 52.931 52.037 -0.266 0.000 0.608 229 A CB -0.487 18.223 19.000 -0.485 0.000 0.839 229 A HN 0.393 nan 8.150 nan 0.000 0.443 230 R N -1.652 118.759 120.500 -0.149 0.000 2.113 230 R HA -0.209 4.131 4.340 0.000 0.000 0.244 230 R C 2.008 178.075 176.300 -0.389 0.000 1.142 230 R CA 1.814 57.850 56.100 -0.106 0.000 0.953 230 R CB -0.747 29.583 30.300 0.050 0.000 0.860 230 R HN 0.553 nan 8.270 nan 0.000 0.438 231 F N 2.411 121.930 119.950 -0.718 0.000 2.046 231 F HA -0.234 4.294 4.527 0.000 0.000 0.297 231 F C 1.937 177.340 175.800 -0.662 0.000 1.123 231 F CA 1.761 59.094 58.000 -1.113 0.000 1.199 231 F CB -0.437 37.828 39.000 -1.226 0.000 0.972 231 F HN -0.073 nan 8.300 nan 0.000 0.474 232 D N -0.069 120.072 120.400 -0.431 0.000 2.149 232 D HA -0.234 4.406 4.640 0.000 0.000 0.194 232 D C 2.303 178.296 176.300 -0.511 0.000 1.001 232 D CA 1.451 55.188 54.000 -0.438 0.000 0.849 232 D CB -0.597 40.096 40.800 -0.179 0.000 0.939 232 D HN 0.254 nan 8.370 nan 0.000 0.449 233 F N 1.646 121.313 119.950 -0.471 0.000 2.046 233 F HA -0.178 4.349 4.527 0.000 0.000 0.297 233 F C 2.443 177.971 175.800 -0.454 0.000 1.123 233 F CA 1.180 58.922 58.000 -0.430 0.000 1.199 233 F CB -0.408 38.358 39.000 -0.390 0.000 0.972 233 F HN -0.070 nan 8.300 nan 0.000 0.474 234 E N 0.404 120.412 120.200 -0.319 0.000 2.097 234 E HA -0.251 4.099 4.350 0.000 0.000 0.196 234 E C 2.125 178.483 176.600 -0.404 0.000 1.000 234 E CA 1.707 57.898 56.400 -0.348 0.000 0.804 234 E CB -0.653 28.762 29.700 -0.476 0.000 0.740 234 E HN 0.573 nan 8.360 nan 0.000 0.454 235 R N 0.502 120.639 120.500 -0.605 0.000 2.189 235 R HA -0.025 4.315 4.340 0.000 0.000 0.223 235 R C 2.367 178.447 176.300 -0.368 0.000 1.092 235 R CA 0.689 56.480 56.100 -0.514 0.000 0.989 235 R CB -0.524 29.401 30.300 -0.625 0.000 0.876 235 R HN 0.053 nan 8.270 nan 0.000 0.457 236 L N 1.498 122.518 121.223 -0.338 0.000 2.005 236 L HA -0.068 4.272 4.340 0.000 0.000 0.207 236 L C 1.886 178.532 176.870 -0.373 0.000 1.072 236 L CA 1.881 56.557 54.840 -0.274 0.000 0.744 236 L CB -0.469 41.474 42.059 -0.194 0.000 0.895 236 L HN 0.110 nan 8.230 nan 0.000 0.433 237 S N 0.087 115.586 115.700 -0.334 0.000 2.493 237 S HA -0.087 4.383 4.470 0.000 0.000 0.243 237 S C 1.189 175.335 174.600 -0.757 0.000 0.991 237 S CA 0.988 58.908 58.200 -0.467 0.000 0.957 237 S CB -0.538 62.507 63.200 -0.257 0.000 0.756 237 S HN 0.521 nan 8.310 nan 0.000 0.521 238 N N -0.486 117.844 118.700 -0.617 0.000 2.328 238 N HA 0.123 4.863 4.740 0.000 0.000 0.247 238 N C -0.783 174.467 175.510 -0.433 0.000 1.165 238 N CA -0.127 52.586 53.050 -0.563 0.000 0.873 238 N CB 0.179 38.543 38.487 -0.205 0.000 1.125 238 N HN 0.533 nan 8.380 nan 0.000 0.513 239 W N 0.005 121.288 121.300 -0.028 0.000 3.520 239 W HA -0.242 4.419 4.660 0.000 0.000 0.305 239 W C -0.298 176.195 176.519 -0.042 0.000 1.150 239 W CA -0.222 57.106 57.345 -0.028 0.000 0.656 239 W CB -2.210 27.243 29.460 -0.011 0.000 2.198 239 W HN 0.055 nan 8.180 nan 0.000 1.417 240 L N 1.018 122.231 121.223 -0.017 0.000 2.360 240 L HA 0.401 4.741 4.340 0.000 0.000 0.271 240 L C 0.859 177.681 176.870 -0.081 0.000 1.057 240 L CA -0.639 54.170 54.840 -0.050 0.000 0.803 240 L CB 0.628 42.610 42.059 -0.128 0.000 1.207 240 L HN -0.193 nan 8.230 nan 0.000 0.445 241 D N 1.767 122.133 120.400 -0.056 0.000 2.175 241 D HA 0.297 4.938 4.640 0.000 0.000 0.248 241 D C -2.213 174.044 176.300 -0.072 0.000 1.047 241 D CA -1.086 52.885 54.000 -0.049 0.000 0.883 241 D CB 1.691 42.489 40.800 -0.003 0.000 1.180 241 D HN 0.180 nan 8.370 nan 0.000 0.438 242 P HA -0.134 nan 4.420 nan 0.000 0.268 242 P C -0.275 177.038 177.300 0.022 0.000 1.171 242 P CA 0.082 63.171 63.100 -0.019 0.000 0.761 242 P CB 0.367 32.138 31.700 0.118 0.000 0.786 243 V N -0.215 119.732 119.914 0.054 0.000 2.637 243 V HA 0.162 4.282 4.120 0.000 0.000 0.296 243 V C 0.095 176.240 176.094 0.086 0.000 1.046 243 V CA -0.911 61.449 62.300 0.100 0.000 1.066 243 V CB 0.076 32.031 31.823 0.221 0.000 0.968 243 V HN 0.390 nan 8.190 nan 0.000 0.483 244 D N 2.829 123.261 120.400 0.054 0.000 2.449 244 D HA 0.103 4.743 4.640 0.000 0.000 0.236 244 D C 0.110 176.399 176.300 -0.019 0.000 1.149 244 D CA 0.137 54.146 54.000 0.015 0.000 0.878 244 D CB 0.492 41.288 40.800 -0.007 0.000 1.198 244 D HN 0.932 nan 8.370 nan 0.000 0.446 245 E N 0.735 120.892 120.200 -0.071 0.000 2.249 245 E HA 0.287 4.638 4.350 0.000 0.000 0.280 245 E C -0.845 175.536 176.600 -0.365 0.000 1.016 245 E CA -0.933 55.391 56.400 -0.127 0.000 0.830 245 E CB 0.919 30.572 29.700 -0.079 0.000 1.081 245 E HN 0.393 nan 8.360 nan 0.000 0.395 246 L N 4.578 125.577 121.223 -0.374 0.000 2.349 246 L HA 0.292 4.632 4.340 0.000 0.000 0.275 246 L C -1.281 175.107 176.870 -0.803 0.000 1.115 246 L CA 0.151 54.660 54.840 -0.552 0.000 0.820 246 L CB 0.630 42.344 42.059 -0.575 0.000 1.135 246 L HN 0.629 nan 8.230 nan 0.000 0.445 247 H N 2.338 121.183 119.070 -0.374 0.000 2.622 247 H HA 0.271 4.827 4.556 0.000 0.000 0.363 247 H C -0.708 174.351 175.328 -0.448 0.000 1.151 247 H CA -0.381 55.455 56.048 -0.354 0.000 1.184 247 H CB 0.916 30.633 29.762 -0.074 0.000 1.643 247 H HN 0.735 nan 8.280 nan 0.000 0.531 248 W N 0.385 121.631 121.300 -0.089 0.000 2.770 248 W HA -0.001 4.659 4.660 0.000 0.000 0.256 248 W C 0.717 177.211 176.519 -0.041 0.000 1.291 248 W CA 0.539 57.718 57.345 -0.277 0.000 1.396 248 W CB 0.043 29.290 29.460 -0.355 0.000 1.114 248 W HN 0.729 nan 8.180 nan 0.000 0.637 249 D N -0.985 119.546 120.400 0.218 0.000 2.339 249 D HA 0.014 4.654 4.640 0.000 0.000 0.217 249 D C 1.012 177.433 176.300 0.202 0.000 1.050 249 D CA 0.211 54.319 54.000 0.180 0.000 0.856 249 D CB 0.037 40.906 40.800 0.115 0.000 0.922 249 D HN -0.166 nan 8.370 nan 0.000 0.518 250 R N 0.719 121.363 120.500 0.240 0.000 2.875 250 R HA 0.562 4.902 4.340 0.000 0.000 0.251 250 R C 0.518 176.982 176.300 0.273 0.000 1.123 250 R CA -1.057 55.190 56.100 0.246 0.000 1.064 250 R CB 0.552 30.982 30.300 0.217 0.000 1.205 250 R HN 0.129 nan 8.270 nan 0.000 0.503 251 I N -1.277 119.375 120.570 0.137 0.000 2.945 251 I HA 0.339 4.509 4.170 0.000 0.000 0.292 251 I C 0.317 176.410 176.117 -0.040 0.000 1.093 251 I CA -0.455 60.789 61.300 -0.093 0.000 1.336 251 I CB 0.301 38.154 38.000 -0.246 0.000 1.435 251 I HN 0.297 nan 8.210 nan 0.000 0.593 252 I N 3.792 124.287 120.570 -0.126 0.000 2.282 252 I HA 0.259 4.429 4.170 0.000 0.000 0.290 252 I C 1.272 177.323 176.117 -0.111 0.000 1.090 252 I CA -0.527 60.690 61.300 -0.138 0.000 1.231 252 I CB 0.523 38.360 38.000 -0.271 0.000 1.434 252 I HN 0.658 nan 8.210 nan 0.000 0.487 253 R N 2.942 123.400 120.500 -0.070 0.000 2.113 253 R HA -0.159 4.181 4.340 0.000 0.000 0.231 253 R C 0.623 176.901 176.300 -0.036 0.000 1.129 253 R CA 1.591 57.665 56.100 -0.044 0.000 0.915 253 R CB -0.079 30.210 30.300 -0.019 0.000 0.837 253 R HN 0.484 nan 8.270 nan 0.000 0.430 254 E N 0.823 121.004 120.200 -0.031 0.000 1.924 254 E HA 0.237 4.587 4.350 0.000 0.000 0.261 254 E C -0.684 175.905 176.600 -0.018 0.000 1.088 254 E CA -0.178 56.216 56.400 -0.010 0.000 0.909 254 E CB 0.402 30.106 29.700 0.007 0.000 1.112 254 E HN 0.345 nan 8.360 nan 0.000 0.425 255 G N 2.504 111.304 108.800 0.000 0.000 2.476 255 G HA2 0.483 4.443 3.960 0.000 0.000 0.286 255 G HA3 0.483 4.443 3.960 0.000 0.000 0.286 255 G C -0.813 174.189 174.900 0.171 0.000 1.177 255 G CA -0.434 44.687 45.100 0.035 0.000 0.870 255 G HN 0.365 nan 8.290 nan 0.000 0.528 256 F N -0.495 119.438 119.950 -0.027 0.000 2.664 256 F HA 0.864 5.391 4.527 0.000 0.000 0.317 256 F C -0.650 175.143 175.800 -0.012 0.000 1.108 256 F CA -3.054 54.938 58.000 -0.013 0.000 0.957 256 F CB 1.514 40.510 39.000 -0.006 0.000 1.365 256 F HN 0.765 nan 8.300 nan 0.000 0.475 257 A N 2.808 125.412 122.820 -0.361 0.000 2.304 257 A HA 0.705 5.025 4.320 0.000 0.000 0.314 257 A C -2.369 174.617 177.584 -0.997 0.000 1.187 257 A CA -1.451 50.296 52.037 -0.484 0.000 0.810 257 A CB 0.860 19.736 19.000 -0.208 0.000 1.183 257 A HN 0.650 nan 8.150 nan 0.000 0.487 258 P HA 0.053 nan 4.420 nan 0.000 0.230 258 P C 0.272 177.368 177.300 -0.339 0.000 1.168 258 P CA 0.154 62.753 63.100 -0.834 0.000 0.793 258 P CB 0.034 31.425 31.700 -0.515 0.000 0.851 259 L N -0.019 121.082 121.223 -0.204 0.000 3.839 259 L HA -0.152 4.188 4.340 0.000 0.000 0.416 259 L C -0.244 176.618 176.870 -0.014 0.000 1.195 259 L CA 1.079 55.871 54.840 -0.080 0.000 0.946 259 L CB -3.165 38.839 42.059 -0.092 0.000 1.891 259 L HN 0.082 nan 8.230 nan 0.000 0.963 260 T N -1.224 113.364 114.554 0.056 0.000 2.918 260 T HA 0.785 5.135 4.350 0.000 0.000 0.286 260 T C 0.270 175.252 174.700 0.469 0.000 1.026 260 T CA -0.391 61.816 62.100 0.180 0.000 1.031 260 T CB 2.181 70.990 68.868 -0.098 0.000 1.046 260 T HN 0.149 nan 8.240 nan 0.000 0.479 261 S N 0.504 116.429 115.700 0.375 0.000 2.548 261 S HA 0.596 5.066 4.470 0.000 0.000 0.286 261 S C -1.232 173.462 174.600 0.157 0.000 1.098 261 S CA -0.774 57.565 58.200 0.231 0.000 0.930 261 S CB 0.923 64.222 63.200 0.165 0.000 1.070 261 S HN 0.560 nan 8.310 nan 0.000 0.480 262 Y N 1.751 121.951 120.300 -0.167 0.000 2.281 262 Y HA 0.272 4.822 4.550 0.000 0.000 0.337 262 Y C 1.754 177.481 175.900 -0.289 0.000 1.304 262 Y CA 0.050 58.030 58.100 -0.200 0.000 1.465 262 Y CB 0.579 38.877 38.460 -0.269 0.000 1.350 262 Y HN 0.534 nan 8.280 nan 0.000 0.575 263 K N 0.642 120.880 120.400 -0.271 0.000 2.029 263 K HA -0.032 4.288 4.320 0.000 0.000 0.205 263 K C -0.808 175.438 176.600 -0.590 0.000 1.042 263 K CA 1.278 57.029 56.287 -0.894 0.000 0.949 263 K CB -0.149 31.647 32.500 -1.174 0.000 0.740 263 K HN 0.579 nan 8.250 nan 0.000 0.442 264 Y N -0.764 119.518 120.300 -0.029 0.000 2.328 264 Y HA 0.433 4.984 4.550 0.000 0.000 0.337 264 Y C 1.038 176.974 175.900 0.060 0.000 0.966 264 Y CA -0.077 58.033 58.100 0.015 0.000 1.136 264 Y CB 1.883 40.373 38.460 0.049 0.000 1.170 264 Y HN 0.417 nan 8.280 nan 0.000 0.470 265 G N 0.556 109.429 108.800 0.122 0.000 4.077 265 G HA2 0.346 4.306 3.960 0.000 0.000 0.199 265 G HA3 0.346 4.306 3.960 0.000 0.000 0.199 265 G C 0.283 175.083 174.900 -0.166 0.000 1.302 265 G CA 0.133 45.186 45.100 -0.078 0.000 0.918 265 G HN 1.522 nan 8.290 nan 0.000 0.369 266 G N -0.325 108.432 108.800 -0.073 0.000 2.265 266 G HA2 0.289 4.249 3.960 0.000 0.000 0.246 266 G HA3 0.289 4.249 3.960 0.000 0.000 0.246 266 G C -1.487 173.409 174.900 -0.006 0.000 1.299 266 G CA 0.133 45.205 45.100 -0.046 0.000 1.117 266 G HN 0.642 nan 8.290 nan 0.000 0.485 267 E N -0.097 120.099 120.200 -0.008 0.000 2.175 267 E HA 0.498 4.848 4.350 0.000 0.000 0.278 267 E C -0.483 176.148 176.600 0.052 0.000 0.969 267 E CA -0.613 55.814 56.400 0.045 0.000 0.796 267 E CB 1.123 30.857 29.700 0.056 0.000 1.104 267 E HN 0.276 nan 8.360 nan 0.000 0.395 268 F N 4.715 124.743 119.950 0.130 0.000 2.604 268 F HA -0.050 4.477 4.527 0.000 0.000 0.393 268 F C -1.426 174.399 175.800 0.042 0.000 1.043 268 F CA -0.683 57.390 58.000 0.121 0.000 1.227 268 F CB -0.174 38.869 39.000 0.071 0.000 1.016 268 F HN 0.210 nan 8.300 nan 0.000 0.556 269 P HA 0.060 nan 4.420 nan 0.000 0.269 269 P C -0.444 176.926 177.300 0.116 0.000 1.209 269 P CA -0.084 63.074 63.100 0.097 0.000 0.776 269 P CB 1.457 33.191 31.700 0.057 0.000 0.876 270 V N 3.531 123.478 119.914 0.055 0.000 2.837 270 V HA 0.545 4.665 4.120 0.000 0.000 0.310 270 V C -0.098 176.030 176.094 0.055 0.000 1.059 270 V CA -0.929 61.397 62.300 0.043 0.000 1.004 270 V CB 1.377 33.189 31.823 -0.018 0.000 1.045 270 V HN 0.617 nan 8.190 nan 0.000 0.465 271 R N 5.137 125.690 120.500 0.088 0.000 2.561 271 R HA 0.662 5.002 4.340 0.000 0.000 0.297 271 R C -2.842 173.480 176.300 0.038 0.000 0.969 271 R CA -1.758 54.369 56.100 0.046 0.000 0.879 271 R CB 2.301 32.619 30.300 0.030 0.000 1.178 271 R HN 0.623 nan 8.270 nan 0.000 0.445 272 P HA 0.141 nan 4.420 nan 0.000 0.276 272 P C -1.264 176.026 177.300 -0.015 0.000 1.261 272 P CA -0.448 62.650 63.100 -0.003 0.000 0.800 272 P CB 0.644 32.336 31.700 -0.013 0.000 1.066 273 D N -0.028 120.364 120.400 -0.012 0.000 2.253 273 D HA 0.114 4.754 4.640 0.000 0.000 0.249 273 D C -0.142 176.129 176.300 -0.048 0.000 1.049 273 D CA -0.421 53.564 54.000 -0.026 0.000 0.929 273 D CB 0.293 41.090 40.800 -0.006 0.000 1.176 273 D HN 0.343 nan 8.370 nan 0.000 0.437 274 N N -0.285 118.371 118.700 -0.074 0.000 2.815 274 N HA -0.169 4.571 4.740 0.000 0.000 0.249 274 N C -0.246 175.153 175.510 -0.185 0.000 1.114 274 N CA 0.294 53.278 53.050 -0.110 0.000 0.717 274 N CB -1.450 36.997 38.487 -0.067 0.000 1.074 274 N HN 0.622 nan 8.380 nan 0.000 0.555 275 I N 0.498 120.954 120.570 -0.190 0.000 2.764 275 I HA 0.065 4.235 4.170 0.000 0.000 0.294 275 I C 0.629 176.557 176.117 -0.314 0.000 1.045 275 I CA -0.261 60.918 61.300 -0.202 0.000 1.340 275 I CB 0.638 38.551 38.000 -0.146 0.000 1.436 275 I HN 0.075 nan 8.210 nan 0.000 0.567 276 H N 4.982 124.058 119.070 0.010 0.000 2.488 276 H HA 0.252 4.808 4.556 0.000 0.000 0.322 276 H C -0.879 174.505 175.328 0.094 0.000 1.078 276 H CA -0.481 55.613 56.048 0.077 0.000 1.260 276 H CB 0.972 30.794 29.762 0.099 0.000 1.425 276 H HN 0.335 nan 8.280 nan 0.000 0.471 277 F N 2.918 122.996 119.950 0.213 0.000 2.546 277 F HA -0.048 4.479 4.527 0.000 0.000 0.388 277 F C 0.908 176.807 175.800 0.164 0.000 1.051 277 F CA 0.668 58.772 58.000 0.174 0.000 1.130 277 F CB 0.055 39.192 39.000 0.227 0.000 1.044 277 F HN 0.477 nan 8.300 nan 0.000 0.553 278 E N 2.639 123.020 120.200 0.301 0.000 2.231 278 E HA 0.062 4.412 4.350 0.000 0.000 0.277 278 E C -0.763 175.981 176.600 0.241 0.000 0.999 278 E CA -0.963 55.584 56.400 0.246 0.000 0.827 278 E CB 1.096 30.901 29.700 0.176 0.000 1.101 278 E HN 0.360 nan 8.360 nan 0.000 0.393 279 D N 1.769 122.311 120.400 0.235 0.000 2.451 279 D HA -0.010 4.630 4.640 0.000 0.000 0.254 279 D C -0.985 175.415 176.300 0.166 0.000 1.204 279 D CA 0.338 54.449 54.000 0.186 0.000 0.896 279 D CB 0.571 41.505 40.800 0.224 0.000 1.136 279 D HN 0.032 nan 8.370 nan 0.000 0.499 280 V N 4.305 124.259 119.914 0.065 0.000 2.347 280 V HA 0.206 4.326 4.120 0.000 0.000 0.280 280 V C -0.767 175.319 176.094 -0.013 0.000 1.021 280 V CA -0.960 61.359 62.300 0.032 0.000 0.847 280 V CB 1.218 33.047 31.823 0.009 0.000 0.990 280 V HN 0.371 nan 8.190 nan 0.000 0.444 281 D N 5.249 125.677 120.400 0.047 0.000 2.493 281 D HA 0.369 5.009 4.640 0.000 0.000 0.240 281 D C 1.285 177.572 176.300 -0.021 0.000 1.142 281 D CA 1.327 55.327 54.000 0.001 0.000 0.872 281 D CB 1.071 41.904 40.800 0.056 0.000 1.173 281 D HN 1.167 nan 8.370 nan 0.000 0.467 282 G N 0.522 109.294 108.800 -0.047 0.000 2.336 282 G HA2 -0.347 3.613 3.960 0.000 0.000 0.233 282 G HA3 -0.347 3.613 3.960 0.000 0.000 0.233 282 G C 0.997 175.879 174.900 -0.031 0.000 1.053 282 G CA 0.353 45.437 45.100 -0.027 0.000 0.625 282 G HN 0.448 nan 8.290 nan 0.000 0.511 283 V N 0.277 120.164 119.914 -0.044 0.000 2.423 283 V HA 0.697 4.817 4.120 0.000 0.000 0.233 283 V C 1.254 177.306 176.094 -0.070 0.000 1.067 283 V CA 2.206 64.482 62.300 -0.041 0.000 1.073 283 V CB -0.246 31.558 31.823 -0.032 0.000 0.715 283 V HN 2.106 nan 8.190 nan 0.000 0.485 284 A N -2.154 120.601 122.820 -0.108 0.000 2.550 284 A HA 0.479 4.799 4.320 0.000 0.000 0.295 284 A C -1.011 176.482 177.584 -0.151 0.000 1.001 284 A CA -0.754 51.202 52.037 -0.135 0.000 0.660 284 A CB 0.157 19.101 19.000 -0.092 0.000 1.308 284 A HN 0.389 nan 8.150 nan 0.000 0.426 285 H N 0.496 119.536 119.070 -0.049 0.000 2.790 285 H HA 0.183 4.739 4.556 0.000 0.000 0.358 285 H C 1.677 176.939 175.328 -0.110 0.000 1.103 285 H CA 1.038 57.065 56.048 -0.035 0.000 1.426 285 H CB 1.190 30.951 29.762 -0.002 0.000 1.424 285 H HN 0.398 nan 8.280 nan 0.000 0.599 286 V N 2.088 122.042 119.914 0.066 0.000 2.407 286 V HA -0.283 3.838 4.120 0.000 0.000 0.248 286 V C 2.207 178.179 176.094 -0.202 0.000 1.055 286 V CA 2.190 64.426 62.300 -0.106 0.000 1.049 286 V CB -0.750 31.099 31.823 0.043 0.000 0.662 286 V HN 0.762 nan 8.190 nan 0.000 0.455 287 H N 0.471 119.464 119.070 -0.129 0.000 2.457 287 H HA -0.128 4.428 4.556 0.000 0.000 0.294 287 H C 1.926 177.155 175.328 -0.165 0.000 1.064 287 H CA 1.601 57.570 56.048 -0.131 0.000 1.330 287 H CB -0.210 29.496 29.762 -0.093 0.000 1.395 287 H HN 0.358 nan 8.280 nan 0.000 0.541 288 D N -0.404 119.914 120.400 -0.137 0.000 2.218 288 D HA -0.115 4.525 4.640 0.000 0.000 0.204 288 D C 2.103 178.218 176.300 -0.308 0.000 0.976 288 D CA 0.755 54.651 54.000 -0.174 0.000 0.853 288 D CB 0.010 40.787 40.800 -0.038 0.000 0.939 288 D HN 0.420 nan 8.370 nan 0.000 0.481 289 L N 0.235 121.162 121.223 -0.493 0.000 2.062 289 L HA -0.035 4.306 4.340 0.000 0.000 0.202 289 L C 2.298 178.879 176.870 -0.483 0.000 1.079 289 L CA 0.669 55.105 54.840 -0.673 0.000 0.755 289 L CB -0.381 40.794 42.059 -1.473 0.000 0.913 289 L HN -0.085 nan 8.230 nan 0.000 0.445 290 E N 0.710 120.596 120.200 -0.524 0.000 2.095 290 E HA -0.314 4.036 4.350 0.000 0.000 0.212 290 E C 2.076 178.543 176.600 -0.223 0.000 1.044 290 E CA 2.436 58.691 56.400 -0.242 0.000 0.857 290 E CB -0.436 29.151 29.700 -0.187 0.000 0.764 290 E HN 0.590 nan 8.360 nan 0.000 0.462 291 I N -0.837 119.513 120.570 -0.367 0.000 2.179 291 I HA -0.218 3.952 4.170 0.000 0.000 0.242 291 I C 2.350 178.369 176.117 -0.164 0.000 1.088 291 I CA 1.518 62.666 61.300 -0.254 0.000 1.357 291 I CB -1.100 36.737 38.000 -0.272 0.000 1.051 291 I HN -0.042 nan 8.210 nan 0.000 0.409 292 T N 0.965 115.413 114.554 -0.177 0.000 2.597 292 T HA -0.308 4.042 4.350 0.000 0.000 0.267 292 T C 1.805 176.460 174.700 -0.075 0.000 1.053 292 T CA 2.439 64.462 62.100 -0.129 0.000 1.165 292 T CB -0.504 68.292 68.868 -0.121 0.000 0.863 292 T HN 0.579 nan 8.240 nan 0.000 0.427 293 E N 0.430 120.612 120.200 -0.029 0.000 2.147 293 E HA -0.203 4.147 4.350 0.000 0.000 0.199 293 E C 2.191 178.832 176.600 0.068 0.000 1.005 293 E CA 1.617 58.048 56.400 0.051 0.000 0.810 293 E CB -0.112 29.722 29.700 0.224 0.000 0.736 293 E HN 0.443 nan 8.360 nan 0.000 0.460 294 S N 0.163 115.888 115.700 0.042 0.000 2.355 294 S HA -0.096 4.375 4.470 0.000 0.000 0.222 294 S C 1.879 176.506 174.600 0.045 0.000 1.031 294 S CA 1.138 59.369 58.200 0.052 0.000 0.993 294 S CB -0.225 62.976 63.200 0.001 0.000 0.859 294 S HN 0.261 nan 8.310 nan 0.000 0.453 295 R N 0.795 121.283 120.500 -0.020 0.000 2.091 295 R HA -0.035 4.305 4.340 0.000 0.000 0.238 295 R C 2.131 178.476 176.300 0.075 0.000 1.136 295 R CA 1.326 57.407 56.100 -0.031 0.000 0.959 295 R CB -0.504 29.569 30.300 -0.378 0.000 0.856 295 R HN 0.309 nan 8.270 nan 0.000 0.437 296 I N 0.122 120.670 120.570 -0.037 0.000 2.113 296 I HA -0.280 3.890 4.170 0.000 0.000 0.238 296 I C 2.093 178.098 176.117 -0.187 0.000 1.070 296 I CA 1.659 62.832 61.300 -0.212 0.000 1.332 296 I CB -1.394 36.436 38.000 -0.283 0.000 1.044 296 I HN 0.272 nan 8.210 nan 0.000 0.402 297 H N 0.465 119.447 119.070 -0.147 0.000 2.568 297 H HA -0.087 4.470 4.556 0.000 0.000 0.281 297 H C 1.911 177.179 175.328 -0.100 0.000 1.028 297 H CA 0.894 56.861 56.048 -0.135 0.000 1.199 297 H CB 0.151 29.847 29.762 -0.110 0.000 1.352 297 H HN 0.527 nan 8.280 nan 0.000 0.605 298 E N -0.827 119.413 120.200 0.067 0.000 2.447 298 E HA 0.111 4.461 4.350 0.000 0.000 0.204 298 E C 1.950 178.602 176.600 0.086 0.000 0.977 298 E CA 0.379 56.822 56.400 0.071 0.000 0.950 298 E CB 0.418 30.208 29.700 0.151 0.000 0.975 298 E HN 0.318 nan 8.360 nan 0.000 0.496 299 A N 1.328 124.160 122.820 0.020 0.000 1.843 299 A HA -0.051 4.269 4.320 0.000 0.000 0.213 299 A C 2.035 179.580 177.584 -0.065 0.000 1.202 299 A CA 0.781 52.798 52.037 -0.034 0.000 0.607 299 A CB -0.633 18.257 19.000 -0.185 0.000 0.847 299 A HN 0.247 nan 8.150 nan 0.000 0.445 300 I N 0.388 120.902 120.570 -0.094 0.000 2.113 300 I HA -0.344 3.826 4.170 0.000 0.000 0.242 300 I C 1.782 177.877 176.117 -0.037 0.000 1.057 300 I CA 1.943 63.212 61.300 -0.051 0.000 1.314 300 I CB -0.556 37.386 38.000 -0.096 0.000 1.022 300 I HN 0.279 nan 8.210 nan 0.000 0.408 301 D N -0.840 119.523 120.400 -0.062 0.000 2.224 301 D HA -0.135 4.505 4.640 0.000 0.000 0.205 301 D C 2.139 178.338 176.300 -0.168 0.000 0.965 301 D CA 1.027 54.960 54.000 -0.112 0.000 0.852 301 D CB -0.266 40.458 40.800 -0.126 0.000 0.947 301 D HN 0.419 nan 8.370 nan 0.000 0.494 302 H N -0.600 118.329 119.070 -0.234 0.000 2.372 302 H HA 0.053 4.609 4.556 0.000 0.000 0.301 302 H C 1.690 176.793 175.328 -0.375 0.000 1.065 302 H CA 1.760 57.547 56.048 -0.436 0.000 1.364 302 H CB 0.608 29.759 29.762 -1.018 0.000 1.406 302 H HN 0.323 nan 8.280 nan 0.000 0.521 303 G N -0.545 108.182 108.800 -0.122 0.000 2.284 303 G HA2 -0.199 3.761 3.960 0.000 0.000 0.201 303 G HA3 -0.199 3.761 3.960 0.000 0.000 0.201 303 G C -0.351 174.632 174.900 0.139 0.000 0.998 303 G CA 0.173 45.302 45.100 0.050 0.000 0.651 303 G HN 0.495 nan 8.290 nan 0.000 0.489 304 Y N -0.210 120.180 120.300 0.150 0.000 2.553 304 Y HA 0.841 5.391 4.550 0.000 0.000 0.347 304 Y C -0.373 175.584 175.900 0.095 0.000 1.019 304 Y CA -2.719 55.443 58.100 0.103 0.000 1.032 304 Y CB 0.973 39.478 38.460 0.075 0.000 1.284 304 Y HN 0.117 nan 8.280 nan 0.000 0.466 305 I N 2.497 123.268 120.570 0.335 0.000 2.385 305 I HA 0.431 4.601 4.170 0.000 0.000 0.294 305 I C -0.053 176.305 176.117 0.402 0.000 0.988 305 I CA -0.713 60.753 61.300 0.276 0.000 1.265 305 I CB 2.084 40.150 38.000 0.111 0.000 1.388 305 I HN 0.865 nan 8.210 nan 0.000 0.480 306 T N 1.597 116.453 114.554 0.504 0.000 2.779 306 T HA 0.431 4.781 4.350 0.000 0.000 0.280 306 T C -0.466 174.388 174.700 0.257 0.000 0.987 306 T CA -0.955 61.325 62.100 0.300 0.000 0.966 306 T CB 1.258 70.259 68.868 0.222 0.000 0.933 306 T HN 0.597 nan 8.240 nan 0.000 0.442 307 D N 2.674 123.168 120.400 0.156 0.000 2.440 307 D HA 0.281 4.921 4.640 0.000 0.000 0.269 307 D C 1.342 177.636 176.300 -0.010 0.000 1.249 307 D CA -0.695 53.371 54.000 0.110 0.000 1.055 307 D CB -0.050 40.814 40.800 0.107 0.000 1.104 307 D HN 0.380 nan 8.370 nan 0.000 0.561 308 S N -0.819 114.864 115.700 -0.029 0.000 2.440 308 S HA -0.144 4.326 4.470 0.000 0.000 0.238 308 S C 0.948 175.453 174.600 -0.157 0.000 1.010 308 S CA 1.272 59.422 58.200 -0.084 0.000 0.972 308 S CB -0.374 62.800 63.200 -0.044 0.000 0.774 308 S HN 0.497 nan 8.310 nan 0.000 0.501 309 D N 0.174 120.428 120.400 -0.243 0.000 2.301 309 D HA 0.192 4.832 4.640 0.000 0.000 0.206 309 D C 1.419 177.482 176.300 -0.396 0.000 0.979 309 D CA 0.895 54.643 54.000 -0.419 0.000 0.874 309 D CB 0.038 40.380 40.800 -0.764 0.000 0.968 309 D HN 0.508 nan 8.370 nan 0.000 0.510 310 G N 1.182 109.811 108.800 -0.285 0.000 2.145 310 G HA2 -0.184 3.777 3.960 0.000 0.000 0.176 310 G HA3 -0.184 3.777 3.960 0.000 0.000 0.176 310 G C -0.370 174.499 174.900 -0.051 0.000 1.013 310 G CA -0.583 44.423 45.100 -0.157 0.000 0.689 310 G HN 0.437 nan 8.290 nan 0.000 0.506 311 H N 1.274 120.310 119.070 -0.056 0.000 2.604 311 H HA 0.481 5.037 4.556 0.000 0.000 0.306 311 H C 0.734 176.023 175.328 -0.066 0.000 1.075 311 H CA 0.148 56.160 56.048 -0.060 0.000 1.357 311 H CB 1.079 30.825 29.762 -0.027 0.000 1.426 311 H HN 0.295 nan 8.280 nan 0.000 0.470 312 T N 1.879 116.415 114.554 -0.029 0.000 2.743 312 T HA 0.338 4.688 4.350 0.000 0.000 0.293 312 T C 0.103 174.796 174.700 -0.011 0.000 0.945 312 T CA -1.000 61.010 62.100 -0.150 0.000 1.030 312 T CB 0.143 68.575 68.868 -0.726 0.000 0.912 312 T HN 0.424 nan 8.240 nan 0.000 0.483 313 I N 1.166 121.798 120.570 0.102 0.000 2.339 313 I HA 0.470 4.640 4.170 0.000 0.000 0.290 313 I C -0.196 176.021 176.117 0.165 0.000 0.994 313 I CA -0.856 60.513 61.300 0.114 0.000 1.191 313 I CB 1.089 39.163 38.000 0.122 0.000 1.343 313 I HN 0.663 nan 8.210 nan 0.000 0.458 314 D N 6.424 126.911 120.400 0.145 0.000 2.414 314 D HA 0.131 4.771 4.640 0.000 0.000 0.242 314 D C 0.558 176.961 176.300 0.172 0.000 1.129 314 D CA 0.118 54.228 54.000 0.184 0.000 0.885 314 D CB 1.133 42.018 40.800 0.142 0.000 1.198 314 D HN 0.835 nan 8.370 nan 0.000 0.437 315 I N 0.394 121.087 120.570 0.206 0.000 4.160 315 I HA 0.299 4.469 4.170 0.000 0.000 0.325 315 I C 0.446 176.791 176.117 0.380 0.000 1.455 315 I CA -0.601 60.834 61.300 0.224 0.000 1.142 315 I CB 0.359 38.437 38.000 0.129 0.000 1.262 315 I HN 0.013 nan 8.210 nan 0.000 0.483 316 R N 3.212 123.897 120.500 0.309 0.000 4.518 316 R HA 0.334 4.674 4.340 0.000 0.000 0.243 316 R C -0.414 175.966 176.300 0.133 0.000 1.720 316 R CA 0.071 56.379 56.100 0.348 0.000 1.526 316 R CB -0.218 30.228 30.300 0.243 0.000 1.425 316 R HN 0.753 nan 8.270 nan 0.000 0.787 317 Q N -2.096 117.808 119.800 0.174 0.000 2.737 317 Q HA 0.424 4.764 4.340 0.000 0.000 0.307 317 Q C -2.372 173.693 176.000 0.107 0.000 0.905 317 Q CA -1.601 54.212 55.803 0.016 0.000 0.753 317 Q CB 1.366 30.136 28.738 0.052 0.000 1.463 317 Q HN -0.130 nan 8.270 nan 0.000 0.455 318 P HA -0.203 nan 4.420 nan 0.000 0.216 318 P C 0.592 177.982 177.300 0.151 0.000 1.150 318 P CA 1.197 64.363 63.100 0.109 0.000 0.837 318 P CB 0.184 31.925 31.700 0.070 0.000 0.786 319 K N -0.164 120.316 120.400 0.133 0.000 2.439 319 K HA 0.028 4.348 4.320 0.000 0.000 0.197 319 K C 2.175 178.863 176.600 0.147 0.000 1.041 319 K CA 0.752 57.119 56.287 0.134 0.000 0.970 319 K CB -1.186 31.383 32.500 0.115 0.000 0.773 319 K HN 0.146 nan 8.250 nan 0.000 0.479 320 G N 2.079 110.995 108.800 0.193 0.000 2.875 320 G HA2 -0.329 3.631 3.960 0.000 0.000 0.220 320 G HA3 -0.329 3.631 3.960 0.000 0.000 0.220 320 G C 1.467 176.394 174.900 0.046 0.000 1.293 320 G CA 1.112 46.341 45.100 0.215 0.000 0.789 320 G HN 0.398 nan 8.290 nan 0.000 0.677 321 I N 1.794 122.420 120.570 0.094 0.000 2.502 321 I HA -0.231 3.939 4.170 0.000 0.000 0.258 321 I C 2.874 179.030 176.117 0.065 0.000 1.172 321 I CA 2.277 63.573 61.300 -0.007 0.000 1.430 321 I CB -0.163 37.835 38.000 -0.004 0.000 1.086 321 I HN 0.673 nan 8.210 nan 0.000 0.440 322 E N 0.343 120.605 120.200 0.103 0.000 2.042 322 E HA -0.153 4.197 4.350 0.000 0.000 0.189 322 E C 2.186 178.863 176.600 0.128 0.000 0.974 322 E CA 0.581 57.064 56.400 0.139 0.000 0.806 322 E CB -0.718 29.078 29.700 0.160 0.000 0.769 322 E HN 0.378 nan 8.360 nan 0.000 0.451 323 L N 0.851 122.135 121.223 0.103 0.000 2.103 323 L HA -0.232 4.108 4.340 0.000 0.000 0.215 323 L C 2.628 179.512 176.870 0.022 0.000 1.080 323 L CA 1.203 56.091 54.840 0.080 0.000 0.764 323 L CB -0.437 41.662 42.059 0.066 0.000 0.890 323 L HN 0.251 nan 8.230 nan 0.000 0.435 324 L N -0.874 120.337 121.223 -0.020 0.000 2.093 324 L HA -0.126 4.214 4.340 0.000 0.000 0.208 324 L C 2.472 179.380 176.870 0.063 0.000 1.085 324 L CA 1.338 56.133 54.840 -0.075 0.000 0.755 324 L CB -0.779 41.167 42.059 -0.188 0.000 0.904 324 L HN 0.346 nan 8.230 nan 0.000 0.435 325 G N -1.118 107.826 108.800 0.239 0.000 2.534 325 G HA2 -0.190 3.770 3.960 0.000 0.000 0.217 325 G HA3 -0.190 3.770 3.960 0.000 0.000 0.217 325 G C 1.009 175.915 174.900 0.009 0.000 1.128 325 G CA 0.347 45.614 45.100 0.279 0.000 0.784 325 G HN 0.307 nan 8.290 nan 0.000 0.542 326 D N 0.760 121.190 120.400 0.050 0.000 2.162 326 D HA -0.073 4.567 4.640 0.000 0.000 0.203 326 D C 2.655 178.967 176.300 0.021 0.000 0.967 326 D CA 0.851 54.888 54.000 0.061 0.000 0.840 326 D CB -0.114 40.786 40.800 0.166 0.000 0.972 326 D HN 0.583 nan 8.370 nan 0.000 0.482 327 I N -2.106 118.451 120.570 -0.022 0.000 2.584 327 I HA 0.020 4.190 4.170 0.000 0.000 0.255 327 I C 2.172 178.232 176.117 -0.095 0.000 1.145 327 I CA 0.480 61.751 61.300 -0.049 0.000 1.462 327 I CB -0.197 37.704 38.000 -0.166 0.000 1.102 327 I HN -0.177 nan 8.210 nan 0.000 0.433 328 I N 2.002 122.479 120.570 -0.154 0.000 2.202 328 I HA -0.238 3.932 4.170 0.000 0.000 0.242 328 I C 2.803 178.851 176.117 -0.115 0.000 1.091 328 I CA 2.061 63.256 61.300 -0.175 0.000 1.368 328 I CB -0.258 37.559 38.000 -0.304 0.000 1.058 328 I HN 0.433 nan 8.210 nan 0.000 0.410 329 E N 0.572 120.603 120.200 -0.280 0.000 2.170 329 E HA -0.088 4.262 4.350 0.000 0.000 0.191 329 E C 0.316 176.882 176.600 -0.057 0.000 0.981 329 E CA 0.767 56.995 56.400 -0.287 0.000 0.830 329 E CB 0.405 29.540 29.700 -0.942 0.000 0.775 329 E HN 0.197 nan 8.360 nan 0.000 0.470 330 S N 0.482 116.140 115.700 -0.071 0.000 3.877 330 S HA -0.120 4.351 4.470 0.000 0.000 0.520 330 S C -0.260 174.392 174.600 0.087 0.000 0.778 330 S CA 0.298 58.511 58.200 0.021 0.000 1.362 330 S CB -1.507 61.715 63.200 0.037 0.000 0.850 330 S HN 0.650 nan 8.310 nan 0.000 0.695 331 S N 1.575 117.336 115.700 0.101 0.000 2.666 331 S HA 0.552 5.022 4.470 0.000 0.000 0.279 331 S C 0.912 175.641 174.600 0.215 0.000 1.149 331 S CA -0.871 57.439 58.200 0.183 0.000 1.020 331 S CB 0.633 63.863 63.200 0.049 0.000 1.127 331 S HN 0.403 nan 8.310 nan 0.000 0.537 332 K N -0.332 120.225 120.400 0.261 0.000 2.487 332 K HA 0.059 4.379 4.320 0.000 0.000 0.192 332 K C 0.359 177.223 176.600 0.440 0.000 1.027 332 K CA 0.384 56.863 56.287 0.320 0.000 1.054 332 K CB -0.313 32.379 32.500 0.320 0.000 0.824 332 K HN 0.584 nan 8.250 nan 0.000 0.510 333 Y N 1.043 121.426 120.300 0.139 0.000 2.511 333 Y HA 0.079 4.629 4.550 0.000 0.000 0.279 333 Y C 1.241 177.213 175.900 0.121 0.000 1.157 333 Y CA -0.996 57.184 58.100 0.132 0.000 1.300 333 Y CB -0.429 38.111 38.460 0.132 0.000 1.052 333 Y HN -0.145 nan 8.280 nan 0.000 0.529 334 S N 0.258 116.120 115.700 0.270 0.000 2.563 334 S HA -0.035 4.435 4.470 0.000 0.000 0.294 334 S C 1.423 176.135 174.600 0.187 0.000 1.279 334 S CA 0.312 58.632 58.200 0.199 0.000 1.069 334 S CB 0.576 63.883 63.200 0.177 0.000 0.828 334 S HN 0.417 nan 8.310 nan 0.000 0.497 335 S N 3.795 119.610 115.700 0.192 0.000 2.362 335 S HA 0.022 4.492 4.470 0.000 0.000 0.221 335 S C 0.958 175.670 174.600 0.186 0.000 1.032 335 S CA 0.497 58.807 58.200 0.183 0.000 0.973 335 S CB -0.204 63.114 63.200 0.197 0.000 0.849 335 S HN 0.796 nan 8.310 nan 0.000 0.465 336 N N 0.953 119.805 118.700 0.253 0.000 2.750 336 N HA 0.214 4.954 4.740 0.000 0.000 0.253 336 N C -0.010 175.610 175.510 0.183 0.000 1.408 336 N CA -0.097 53.063 53.050 0.183 0.000 0.780 336 N CB 1.234 39.803 38.487 0.136 0.000 1.191 336 N HN 0.046 nan 8.380 nan 0.000 0.511 337 V N 2.116 122.119 119.914 0.149 0.000 2.913 337 V HA -0.076 4.044 4.120 0.000 0.000 0.260 337 V C 1.960 178.106 176.094 0.086 0.000 1.098 337 V CA 1.733 64.110 62.300 0.129 0.000 1.121 337 V CB -0.162 31.733 31.823 0.120 0.000 0.714 337 V HN 0.640 nan 8.190 nan 0.000 0.487 338 Q N -1.844 117.999 119.800 0.071 0.000 2.378 338 Q HA -0.147 4.193 4.340 0.000 0.000 0.205 338 Q C 1.833 177.878 176.000 0.075 0.000 0.954 338 Q CA 1.341 57.176 55.803 0.054 0.000 0.901 338 Q CB 0.065 28.822 28.738 0.032 0.000 0.981 338 Q HN 0.805 nan 8.270 nan 0.000 0.483 339 Y N -0.902 119.308 120.300 -0.150 0.000 2.472 339 Y HA 0.014 4.564 4.550 0.000 0.000 0.288 339 Y C 0.770 176.514 175.900 -0.261 0.000 1.154 339 Y CA 0.583 58.512 58.100 -0.285 0.000 1.238 339 Y CB -0.134 38.029 38.460 -0.495 0.000 1.287 339 Y HN 0.028 nan 8.280 nan 0.000 0.524 340 Y N 1.153 121.379 120.300 -0.123 0.000 2.529 340 Y HA 0.283 4.833 4.550 0.000 0.000 0.290 340 Y C 1.919 177.746 175.900 -0.121 0.000 1.177 340 Y CA 0.054 58.026 58.100 -0.214 0.000 1.305 340 Y CB -0.792 37.585 38.460 -0.138 0.000 1.047 340 Y HN 0.287 nan 8.280 nan 0.000 0.522 341 G N 0.431 109.256 108.800 0.041 0.000 2.661 341 G HA2 -0.367 3.594 3.960 0.000 0.000 0.327 341 G HA3 -0.367 3.594 3.960 0.000 0.000 0.327 341 G C 0.364 175.286 174.900 0.036 0.000 1.320 341 G CA 0.687 45.802 45.100 0.025 0.000 0.997 341 G HN 0.444 nan 8.290 nan 0.000 0.543 342 S N -0.708 114.997 115.700 0.008 0.000 2.486 342 S HA 0.431 4.901 4.470 0.000 0.000 0.144 342 S C 1.230 175.839 174.600 0.015 0.000 1.542 342 S CA 0.605 58.812 58.200 0.012 0.000 1.262 342 S CB -0.141 63.062 63.200 0.005 0.000 1.462 342 S HN 0.860 nan 8.310 nan 0.000 0.381 343 L N 2.977 124.215 121.223 0.025 0.000 1.987 343 L HA -0.231 4.110 4.340 0.000 0.000 0.230 343 L C 2.458 179.412 176.870 0.141 0.000 1.089 343 L CA 2.464 57.348 54.840 0.072 0.000 0.802 343 L CB -0.588 41.521 42.059 0.084 0.000 0.905 343 L HN 0.824 nan 8.230 nan 0.000 0.441 344 H N -0.078 119.049 119.070 0.096 0.000 2.251 344 H HA -0.215 4.341 4.556 0.000 0.000 0.294 344 H C 2.035 177.481 175.328 0.198 0.000 1.078 344 H CA 2.415 58.562 56.048 0.164 0.000 1.246 344 H CB -0.066 29.846 29.762 0.250 0.000 1.358 344 H HN 0.444 nan 8.280 nan 0.000 0.488 345 N N 0.025 118.717 118.700 -0.013 0.000 2.007 345 N HA -0.139 4.601 4.740 0.000 0.000 0.197 345 N C 2.095 177.549 175.510 -0.095 0.000 1.050 345 N CA 2.330 55.340 53.050 -0.066 0.000 0.856 345 N CB -1.193 37.257 38.487 -0.062 0.000 1.050 345 N HN 0.402 nan 8.380 nan 0.000 0.423 346 T N 1.226 115.751 114.554 -0.048 0.000 2.685 346 T HA -0.191 4.159 4.350 0.000 0.000 0.268 346 T C 1.886 176.553 174.700 -0.056 0.000 1.034 346 T CA 1.709 63.773 62.100 -0.059 0.000 1.149 346 T CB -0.585 68.238 68.868 -0.075 0.000 0.860 346 T HN 0.425 nan 8.240 nan 0.000 0.449 347 A N 1.036 123.851 122.820 -0.007 0.000 2.024 347 A HA -0.199 4.121 4.320 0.000 0.000 0.220 347 A C 2.053 179.618 177.584 -0.033 0.000 1.164 347 A CA 1.452 53.557 52.037 0.114 0.000 0.643 347 A CB -0.730 18.383 19.000 0.188 0.000 0.806 347 A HN 0.624 nan 8.150 nan 0.000 0.451 348 H N -0.507 118.387 119.070 -0.293 0.000 2.256 348 H HA -0.104 4.453 4.556 0.000 0.000 0.301 348 H C 2.322 177.425 175.328 -0.374 0.000 1.062 348 H CA 2.036 57.818 56.048 -0.444 0.000 1.283 348 H CB -0.340 28.856 29.762 -0.944 0.000 1.379 348 H HN 0.298 nan 8.280 nan 0.000 0.493 349 V N 1.125 120.864 119.914 -0.292 0.000 2.380 349 V HA -0.308 3.812 4.120 0.000 0.000 0.251 349 V C 2.596 178.648 176.094 -0.070 0.000 1.063 349 V CA 2.018 64.208 62.300 -0.183 0.000 1.055 349 V CB -0.677 31.080 31.823 -0.110 0.000 0.657 349 V HN 0.273 nan 8.190 nan 0.000 0.455 350 M N -0.447 119.144 119.600 -0.016 0.000 2.159 350 M HA -0.098 4.382 4.480 0.000 0.000 0.263 350 M C 1.906 178.316 176.300 0.184 0.000 1.063 350 M CA 1.822 57.179 55.300 0.096 0.000 1.110 350 M CB -0.427 32.249 32.600 0.126 0.000 1.374 350 M HN 0.265 nan 8.290 nan 0.000 0.411 351 L N -1.251 120.049 121.223 0.127 0.000 2.418 351 L HA 0.075 4.416 4.340 0.000 0.000 0.218 351 L C 2.014 178.853 176.870 -0.052 0.000 1.125 351 L CA 0.812 55.680 54.840 0.046 0.000 0.835 351 L CB -0.633 41.418 42.059 -0.014 0.000 0.953 351 L HN 0.495 nan 8.230 nan 0.000 0.454 352 G N -0.557 108.212 108.800 -0.052 0.000 2.408 352 G HA2 -0.159 3.802 3.960 0.000 0.000 0.215 352 G HA3 -0.159 3.802 3.960 0.000 0.000 0.215 352 G C 1.438 176.318 174.900 -0.033 0.000 1.156 352 G CA -0.071 45.001 45.100 -0.048 0.000 0.793 352 G HN 0.165 nan 8.290 nan 0.000 0.535 353 R N 0.498 120.977 120.500 -0.035 0.000 2.310 353 R HA 0.125 4.465 4.340 0.000 0.000 0.202 353 R C 1.925 178.202 176.300 -0.039 0.000 0.933 353 R CA -0.040 56.038 56.100 -0.037 0.000 1.054 353 R CB -0.146 30.130 30.300 -0.040 0.000 0.985 353 R HN 0.308 nan 8.270 nan 0.000 0.489 354 Q N 0.084 119.857 119.800 -0.045 0.000 2.522 354 Q HA -0.090 4.250 4.340 0.000 0.000 0.216 354 Q C 1.637 177.609 176.000 -0.047 0.000 0.986 354 Q CA 1.441 57.200 55.803 -0.074 0.000 0.901 354 Q CB -0.324 28.311 28.738 -0.173 0.000 0.954 354 Q HN 0.454 nan 8.270 nan 0.000 0.502 355 G N -0.556 108.233 108.800 -0.018 0.000 2.744 355 G HA2 -0.052 3.908 3.960 0.000 0.000 0.211 355 G HA3 -0.052 3.908 3.960 0.000 0.000 0.211 355 G C -0.150 174.790 174.900 0.066 0.000 1.146 355 G CA 0.146 45.258 45.100 0.019 0.000 0.787 355 G HN 0.220 nan 8.290 nan 0.000 0.534 356 D N -1.416 118.993 120.400 0.015 0.000 2.668 356 D HA 0.215 4.855 4.640 0.000 0.000 0.234 356 D C -2.153 174.066 176.300 -0.135 0.000 1.349 356 D CA -0.928 53.069 54.000 -0.005 0.000 0.889 356 D CB 1.302 42.152 40.800 0.083 0.000 1.520 356 D HN -0.054 nan 8.370 nan 0.000 0.521 357 P HA -0.040 nan 4.420 nan 0.000 0.215 357 P C 1.070 178.172 177.300 -0.330 0.000 1.157 357 P CA 0.973 63.864 63.100 -0.348 0.000 0.856 357 P CB 0.169 31.592 31.700 -0.461 0.000 0.786 358 H N -1.328 117.707 119.070 -0.058 0.000 2.548 358 H HA 0.290 4.846 4.556 0.000 0.000 0.268 358 H C 1.127 176.390 175.328 -0.108 0.000 0.975 358 H CA 0.811 56.810 56.048 -0.081 0.000 1.195 358 H CB -0.811 28.902 29.762 -0.082 0.000 1.397 358 H HN 0.134 nan 8.280 nan 0.000 0.572 359 G N 2.149 110.860 108.800 -0.149 0.000 2.370 359 G HA2 -0.320 3.640 3.960 0.000 0.000 0.295 359 G HA3 -0.320 3.640 3.960 0.000 0.000 0.295 359 G C 0.736 175.509 174.900 -0.211 0.000 1.045 359 G CA 0.454 45.474 45.100 -0.134 0.000 1.199 359 G HN 0.457 nan 8.290 nan 0.000 0.513 360 K N -0.739 119.358 120.400 -0.505 0.000 2.314 360 K HA 0.222 4.542 4.320 0.000 0.000 0.198 360 K C 1.502 177.777 176.600 -0.542 0.000 1.045 360 K CA 0.931 56.832 56.287 -0.643 0.000 0.988 360 K CB 0.119 31.982 32.500 -1.061 0.000 0.783 360 K HN 0.450 nan 8.250 nan 0.000 0.484 361 F N 0.781 120.731 119.950 0.001 0.000 2.678 361 F HA 0.118 4.645 4.527 0.000 0.000 0.291 361 F C 0.334 176.130 175.800 -0.006 0.000 1.123 361 F CA -0.604 57.393 58.000 -0.005 0.000 1.395 361 F CB -0.843 38.146 39.000 -0.017 0.000 1.121 361 F HN 0.067 nan 8.300 nan 0.000 0.592 362 N N 0.744 119.517 118.700 0.121 0.000 2.681 362 N HA -0.215 4.525 4.740 0.000 0.000 0.259 362 N C -1.062 174.487 175.510 0.066 0.000 1.066 362 N CA -0.004 53.096 53.050 0.084 0.000 0.717 362 N CB -1.271 37.264 38.487 0.081 0.000 0.885 362 N HN 0.125 nan 8.380 nan 0.000 0.547 363 L N 1.207 122.455 121.223 0.042 0.000 2.399 363 L HA 0.733 5.073 4.340 0.000 0.000 0.265 363 L C -1.346 175.418 176.870 -0.176 0.000 1.089 363 L CA -1.691 53.126 54.840 -0.038 0.000 0.802 363 L CB 0.631 42.702 42.059 0.020 0.000 1.180 363 L HN 0.313 nan 8.230 nan 0.000 0.454 364 P HA 0.382 nan 4.420 nan 0.000 0.289 364 P C -2.770 174.142 177.300 -0.646 0.000 1.299 364 P CA -1.405 61.183 63.100 -0.854 0.000 0.766 364 P CB -0.418 30.457 31.700 -1.375 0.000 1.226 365 P HA 0.224 nan 4.420 nan 0.000 0.272 365 P C 0.157 177.432 177.300 -0.042 0.000 1.254 365 P CA 0.120 62.983 63.100 -0.395 0.000 0.795 365 P CB -0.066 31.349 31.700 -0.475 0.000 1.022 366 G N -1.208 107.627 108.800 0.059 0.000 2.537 366 G HA2 0.360 4.320 3.960 0.000 0.000 0.323 366 G HA3 0.360 4.320 3.960 0.000 0.000 0.323 366 G C 0.898 176.013 174.900 0.358 0.000 1.207 366 G CA -0.471 44.797 45.100 0.280 0.000 0.976 366 G HN 0.444 nan 8.290 nan 0.000 0.487 367 V N 0.580 120.712 119.914 0.365 0.000 2.363 367 V HA -0.255 3.865 4.120 0.000 0.000 0.254 367 V C 2.286 178.437 176.094 0.094 0.000 1.074 367 V CA 3.016 65.363 62.300 0.078 0.000 1.069 367 V CB -0.451 31.340 31.823 -0.053 0.000 0.659 367 V HN 0.608 nan 8.190 nan 0.000 0.455 368 M N 0.512 120.149 119.600 0.060 0.000 2.558 368 M HA 0.125 4.605 4.480 0.000 0.000 0.255 368 M C 1.333 177.657 176.300 0.041 0.000 1.113 368 M CA 1.220 56.539 55.300 0.031 0.000 1.097 368 M CB -0.300 32.246 32.600 -0.090 0.000 1.426 368 M HN 0.567 nan 8.290 nan 0.000 0.488 369 E N 0.146 120.306 120.200 -0.067 0.000 2.338 369 E HA 0.125 4.475 4.350 0.000 0.000 0.231 369 E C -0.817 175.648 176.600 -0.225 0.000 1.231 369 E CA 0.006 56.246 56.400 -0.266 0.000 1.490 369 E CB -0.162 29.359 29.700 -0.299 0.000 1.360 369 E HN 0.402 nan 8.360 nan 0.000 0.435 370 H N -0.777 118.391 119.070 0.163 0.000 3.140 370 H HA 0.049 4.605 4.556 0.000 0.000 0.336 370 H C 0.016 175.423 175.328 0.132 0.000 1.142 370 H CA -0.787 55.334 56.048 0.120 0.000 1.308 370 H CB 0.488 30.324 29.762 0.124 0.000 1.970 370 H HN -0.006 nan 8.280 nan 0.000 0.521 371 F N 1.365 121.446 119.950 0.219 0.000 2.234 371 F HA -0.096 4.431 4.527 0.000 0.000 0.299 371 F C 2.364 178.098 175.800 -0.111 0.000 1.087 371 F CA 1.183 59.146 58.000 -0.062 0.000 1.340 371 F CB 0.012 38.919 39.000 -0.154 0.000 1.031 371 F HN 0.583 nan 8.300 nan 0.000 0.500 372 E N -1.618 118.642 120.200 0.099 0.000 2.494 372 E HA -0.006 4.344 4.350 0.000 0.000 0.193 372 E C 0.709 177.064 176.600 -0.409 0.000 1.074 372 E CA 0.838 57.111 56.400 -0.212 0.000 0.867 372 E CB -0.317 29.195 29.700 -0.313 0.000 0.924 372 E HN 0.226 nan 8.360 nan 0.000 0.502 373 T N -0.707 113.744 114.554 -0.171 0.000 3.252 373 T HA 0.314 4.664 4.350 0.000 0.000 0.295 373 T C 1.195 175.809 174.700 -0.143 0.000 0.897 373 T CA 0.318 62.280 62.100 -0.230 0.000 0.905 373 T CB 0.620 69.299 68.868 -0.314 0.000 1.202 373 T HN 0.270 nan 8.240 nan 0.000 0.592 374 A N 0.698 123.486 122.820 -0.053 0.000 1.929 374 A HA 0.034 4.354 4.320 0.000 0.000 0.216 374 A C 2.195 179.521 177.584 -0.430 0.000 1.176 374 A CA 1.658 53.640 52.037 -0.092 0.000 0.628 374 A CB -0.989 18.135 19.000 0.207 0.000 0.816 374 A HN 0.366 nan 8.150 nan 0.000 0.444 375 T N -0.572 113.593 114.554 -0.648 0.000 2.969 375 T HA -0.130 4.220 4.350 0.000 0.000 0.271 375 T C 1.909 176.458 174.700 -0.252 0.000 1.127 375 T CA 1.547 63.190 62.100 -0.762 0.000 1.102 375 T CB -0.327 68.228 68.868 -0.520 0.000 0.855 375 T HN 0.455 nan 8.240 nan 0.000 0.536 376 R N 1.459 121.845 120.500 -0.191 0.000 2.064 376 R HA -0.005 4.335 4.340 0.000 0.000 0.228 376 R C 0.789 177.042 176.300 -0.078 0.000 1.144 376 R CA 1.069 57.160 56.100 -0.015 0.000 0.932 376 R CB -0.302 30.023 30.300 0.042 0.000 0.833 376 R HN 0.282 nan 8.270 nan 0.000 0.429 377 D N -0.319 119.804 120.400 -0.462 0.000 2.383 377 D HA 0.033 4.673 4.640 0.000 0.000 0.252 377 D C -1.778 174.159 176.300 -0.605 0.000 1.166 377 D CA -1.750 51.489 54.000 -1.268 0.000 0.879 377 D CB 1.279 41.535 40.800 -0.907 0.000 1.164 377 D HN -0.082 nan 8.370 nan 0.000 0.462 378 P HA -0.189 nan 4.420 nan 0.000 0.216 378 P C 1.105 178.339 177.300 -0.109 0.000 1.150 378 P CA 1.353 64.353 63.100 -0.167 0.000 0.843 378 P CB -0.062 31.576 31.700 -0.104 0.000 0.787 379 S N -1.912 113.663 115.700 -0.210 0.000 2.547 379 S HA -0.152 4.319 4.470 0.000 0.000 0.235 379 S C 1.739 176.214 174.600 -0.208 0.000 0.980 379 S CA 0.216 58.307 58.200 -0.182 0.000 0.941 379 S CB -1.715 61.358 63.200 -0.212 0.000 0.763 379 S HN 0.073 nan 8.310 nan 0.000 0.532 380 F N 2.302 122.040 119.950 -0.353 0.000 2.065 380 F HA -0.080 4.447 4.527 0.000 0.000 0.298 380 F C 1.541 177.048 175.800 -0.487 0.000 1.112 380 F CA 1.519 59.227 58.000 -0.486 0.000 1.212 380 F CB -0.515 38.049 39.000 -0.727 0.000 0.975 380 F HN 0.213 nan 8.300 nan 0.000 0.476 381 F N -0.004 119.779 119.950 -0.278 0.000 2.456 381 F HA 0.063 4.590 4.527 0.000 0.000 0.298 381 F C 2.482 178.177 175.800 -0.174 0.000 1.104 381 F CA 0.886 58.686 58.000 -0.332 0.000 1.435 381 F CB -0.684 37.960 39.000 -0.594 0.000 1.078 381 F HN -0.159 nan 8.300 nan 0.000 0.546 382 R N 0.115 120.590 120.500 -0.041 0.000 2.073 382 R HA -0.092 4.248 4.340 0.000 0.000 0.229 382 R C 2.147 178.360 176.300 -0.144 0.000 1.120 382 R CA 0.866 56.927 56.100 -0.066 0.000 0.967 382 R CB -0.517 29.728 30.300 -0.090 0.000 0.862 382 R HN 0.254 nan 8.270 nan 0.000 0.436 383 L N -0.136 120.944 121.223 -0.239 0.000 2.141 383 L HA -0.110 4.230 4.340 0.000 0.000 0.209 383 L C 1.068 177.832 176.870 -0.178 0.000 1.094 383 L CA 1.954 56.615 54.840 -0.298 0.000 0.763 383 L CB -0.214 41.611 42.059 -0.390 0.000 0.908 383 L HN 0.208 nan 8.230 nan 0.000 0.437 384 H N -1.537 117.357 119.070 -0.293 0.000 2.553 384 H HA 0.110 4.666 4.556 0.000 0.000 0.265 384 H C 1.963 177.313 175.328 0.038 0.000 0.964 384 H CA 0.651 56.619 56.048 -0.134 0.000 1.156 384 H CB 0.091 29.691 29.762 -0.270 0.000 1.411 384 H HN 0.332 nan 8.280 nan 0.000 0.558 385 K N 0.106 120.595 120.400 0.150 0.000 2.031 385 K HA -0.164 4.157 4.320 0.000 0.000 0.205 385 K C 1.833 178.535 176.600 0.170 0.000 1.049 385 K CA 0.923 57.317 56.287 0.178 0.000 0.939 385 K CB -0.173 32.415 32.500 0.147 0.000 0.717 385 K HN 0.264 nan 8.250 nan 0.000 0.438 386 Y N 1.186 121.464 120.300 -0.037 0.000 2.030 386 Y HA -0.337 4.213 4.550 0.000 0.000 0.274 386 Y C 1.992 177.878 175.900 -0.024 0.000 1.153 386 Y CA 2.321 60.376 58.100 -0.075 0.000 1.115 386 Y CB -0.282 38.065 38.460 -0.189 0.000 0.969 386 Y HN 0.028 nan 8.280 nan 0.000 0.488 387 M N -0.017 119.628 119.600 0.074 0.000 2.082 387 M HA -0.269 4.211 4.480 0.000 0.000 0.258 387 M C 1.935 178.307 176.300 0.119 0.000 1.069 387 M CA 2.179 57.466 55.300 -0.022 0.000 1.102 387 M CB -0.690 31.994 32.600 0.141 0.000 1.336 387 M HN 0.375 nan 8.290 nan 0.000 0.404 388 D N 0.937 121.507 120.400 0.283 0.000 2.127 388 D HA -0.181 4.459 4.640 0.000 0.000 0.190 388 D C 0.976 177.506 176.300 0.383 0.000 1.000 388 D CA 1.627 55.909 54.000 0.471 0.000 0.839 388 D CB -0.344 40.731 40.800 0.458 0.000 0.955 388 D HN 0.472 nan 8.370 nan 0.000 0.446 389 N N -0.367 118.426 118.700 0.155 0.000 2.501 389 N HA -0.005 4.735 4.740 0.000 0.000 0.195 389 N C 0.997 176.427 175.510 -0.132 0.000 1.213 389 N CA -0.209 52.837 53.050 -0.007 0.000 0.864 389 N CB 0.443 38.903 38.487 -0.045 0.000 0.999 389 N HN 0.248 nan 8.380 nan 0.000 0.454 390 I N -0.291 120.152 120.570 -0.211 0.000 2.494 390 I HA -0.049 4.121 4.170 0.000 0.000 0.250 390 I C 1.438 177.341 176.117 -0.358 0.000 1.112 390 I CA 0.873 61.894 61.300 -0.466 0.000 1.438 390 I CB -0.803 36.766 38.000 -0.719 0.000 1.111 390 I HN 0.071 nan 8.210 nan 0.000 0.431 391 F N 1.645 121.519 119.950 -0.128 0.000 2.084 391 F HA -0.135 4.392 4.527 0.000 0.000 0.296 391 F C 2.597 178.272 175.800 -0.208 0.000 1.111 391 F CA 1.408 59.322 58.000 -0.144 0.000 1.224 391 F CB -0.785 38.179 39.000 -0.059 0.000 0.991 391 F HN -0.024 nan 8.300 nan 0.000 0.471 392 K N 0.717 121.112 120.400 -0.009 0.000 2.173 392 K HA -0.238 4.082 4.320 0.000 0.000 0.207 392 K C 2.029 178.404 176.600 -0.375 0.000 1.046 392 K CA 1.441 57.466 56.287 -0.436 0.000 0.929 392 K CB -0.104 31.949 32.500 -0.744 0.000 0.720 392 K HN 0.167 nan 8.250 nan 0.000 0.453 393 K N -0.773 119.479 120.400 -0.246 0.000 2.147 393 K HA -0.212 4.108 4.320 0.000 0.000 0.205 393 K C 2.037 178.497 176.600 -0.234 0.000 1.049 393 K CA 1.707 57.866 56.287 -0.213 0.000 0.936 393 K CB -0.179 32.246 32.500 -0.125 0.000 0.722 393 K HN 0.395 nan 8.250 nan 0.000 0.446 394 H N -0.109 118.767 119.070 -0.323 0.000 2.370 394 H HA 0.035 4.591 4.556 0.000 0.000 0.304 394 H C 1.951 176.926 175.328 -0.589 0.000 1.055 394 H CA 1.574 57.382 56.048 -0.398 0.000 1.373 394 H CB 0.027 29.613 29.762 -0.294 0.000 1.423 394 H HN -0.098 nan 8.280 nan 0.000 0.533 395 T N 0.058 114.367 114.554 -0.408 0.000 2.737 395 T HA -0.151 4.200 4.350 0.000 0.000 0.269 395 T C 1.040 175.446 174.700 -0.491 0.000 1.040 395 T CA 1.886 63.738 62.100 -0.414 0.000 1.142 395 T CB -0.365 68.368 68.868 -0.226 0.000 0.861 395 T HN 0.387 nan 8.240 nan 0.000 0.456 396 D N 0.160 120.268 120.400 -0.487 0.000 2.349 396 D HA 0.053 4.693 4.640 0.000 0.000 0.215 396 D C 2.099 178.167 176.300 -0.386 0.000 1.016 396 D CA 0.366 54.126 54.000 -0.400 0.000 0.870 396 D CB -0.072 40.499 40.800 -0.381 0.000 0.917 396 D HN 0.461 nan 8.370 nan 0.000 0.524 397 S N -0.638 114.726 115.700 -0.559 0.000 2.527 397 S HA 0.019 4.489 4.470 0.000 0.000 0.222 397 S C 0.588 175.042 174.600 -0.243 0.000 0.985 397 S CA -0.276 57.666 58.200 -0.431 0.000 0.921 397 S CB -0.305 62.590 63.200 -0.508 0.000 0.772 397 S HN -0.117 nan 8.310 nan 0.000 0.529 398 F N 3.679 123.479 119.950 -0.249 0.000 2.382 398 F HA 0.513 5.040 4.527 0.000 0.000 0.331 398 F C -2.009 173.664 175.800 -0.212 0.000 1.121 398 F CA -3.356 54.506 58.000 -0.230 0.000 1.183 398 F CB -0.209 38.636 39.000 -0.258 0.000 1.207 398 F HN 0.016 nan 8.300 nan 0.000 0.555 399 P HA 0.179 nan 4.420 nan 0.000 0.271 399 P C -2.652 174.578 177.300 -0.117 0.000 1.216 399 P CA -1.157 61.919 63.100 -0.040 0.000 0.776 399 P CB 0.192 31.872 31.700 -0.033 0.000 0.881 400 P HA 0.024 nan 4.420 nan 0.000 0.272 400 P C -0.581 176.665 177.300 -0.091 0.000 1.243 400 P CA 0.411 63.446 63.100 -0.109 0.000 0.803 400 P CB 0.055 31.735 31.700 -0.033 0.000 0.974 401 Y N -0.857 119.441 120.300 -0.004 0.000 2.310 401 Y HA 0.288 4.838 4.550 0.000 0.000 0.326 401 Y C 1.646 177.554 175.900 0.013 0.000 1.151 401 Y CA -0.213 57.885 58.100 -0.003 0.000 1.195 401 Y CB 0.198 38.634 38.460 -0.040 0.000 1.210 401 Y HN 0.323 nan 8.280 nan 0.000 0.483 402 T N -2.100 112.587 114.554 0.221 0.000 2.793 402 T HA 0.100 4.450 4.350 0.000 0.000 0.299 402 T C 1.054 175.846 174.700 0.154 0.000 1.038 402 T CA 0.334 62.529 62.100 0.159 0.000 0.948 402 T CB 0.482 69.431 68.868 0.136 0.000 1.231 402 T HN 0.835 nan 8.240 nan 0.000 0.538 403 H N -0.896 118.214 119.070 0.067 0.000 2.344 403 H HA 0.131 4.687 4.556 0.000 0.000 0.307 403 H C 1.844 177.202 175.328 0.050 0.000 1.057 403 H CA 1.275 57.355 56.048 0.054 0.000 1.373 403 H CB -0.146 29.644 29.762 0.046 0.000 1.421 403 H HN 0.661 nan 8.280 nan 0.000 0.532 404 D N 0.134 120.699 120.400 0.275 0.000 2.271 404 D HA -0.175 4.465 4.640 0.000 0.000 0.207 404 D C 1.374 177.736 176.300 0.103 0.000 0.983 404 D CA 0.758 54.871 54.000 0.189 0.000 0.878 404 D CB -0.085 40.798 40.800 0.138 0.000 0.920 404 D HN 0.559 nan 8.370 nan 0.000 0.479 405 N N 0.289 119.041 118.700 0.087 0.000 2.109 405 N HA -0.056 4.684 4.740 0.000 0.000 0.188 405 N C 2.082 177.580 175.510 -0.021 0.000 1.034 405 N CA 0.616 53.701 53.050 0.058 0.000 0.846 405 N CB 0.070 38.636 38.487 0.132 0.000 1.010 405 N HN 0.158 nan 8.380 nan 0.000 0.425 406 L N 0.978 122.150 121.223 -0.086 0.000 2.179 406 L HA 0.051 4.391 4.340 0.000 0.000 0.208 406 L C 0.789 177.629 176.870 -0.049 0.000 1.096 406 L CA 0.439 55.212 54.840 -0.111 0.000 0.779 406 L CB -0.213 41.737 42.059 -0.180 0.000 0.922 406 L HN 0.115 nan 8.230 nan 0.000 0.443 407 E N 0.668 120.829 120.200 -0.065 0.000 2.376 407 E HA -0.040 4.310 4.350 0.000 0.000 0.266 407 E C -0.883 175.796 176.600 0.132 0.000 1.009 407 E CA -0.188 56.218 56.400 0.011 0.000 0.902 407 E CB 0.578 30.269 29.700 -0.015 0.000 0.972 407 E HN -0.085 nan 8.360 nan 0.000 0.439 408 F N 4.121 124.046 119.950 -0.041 0.000 2.291 408 F HA 0.144 4.671 4.527 0.000 0.000 0.368 408 F C 1.179 176.967 175.800 -0.019 0.000 1.085 408 F CA -0.544 57.433 58.000 -0.038 0.000 1.165 408 F CB 0.218 39.183 39.000 -0.059 0.000 1.429 408 F HN 0.406 nan 8.300 nan 0.000 0.503 409 S N 3.421 119.158 115.700 0.061 0.000 2.390 409 S HA -0.230 4.240 4.470 0.000 0.000 0.234 409 S C 2.102 176.640 174.600 -0.103 0.000 1.063 409 S CA 2.322 60.514 58.200 -0.013 0.000 1.108 409 S CB -0.603 62.604 63.200 0.012 0.000 0.975 409 S HN 0.826 nan 8.310 nan 0.000 0.442 410 G N 1.533 110.197 108.800 -0.226 0.000 2.473 410 G HA2 0.134 4.094 3.960 0.000 0.000 0.212 410 G HA3 0.134 4.094 3.960 0.000 0.000 0.212 410 G C 0.490 175.248 174.900 -0.237 0.000 1.211 410 G CA 0.104 45.078 45.100 -0.209 0.000 0.813 410 G HN 0.522 nan 8.290 nan 0.000 0.541 411 M N 1.743 121.080 119.600 -0.438 0.000 2.611 411 M HA 0.209 4.690 4.480 0.000 0.000 0.361 411 M C -0.603 175.608 176.300 -0.148 0.000 1.761 411 M CA 0.352 55.425 55.300 -0.378 0.000 1.145 411 M CB 0.279 32.405 32.600 -0.790 0.000 2.121 411 M HN 0.024 nan 8.290 nan 0.000 0.465 412 V N 5.730 125.607 119.914 -0.061 0.000 2.531 412 V HA 0.446 4.566 4.120 0.000 0.000 0.301 412 V C -0.567 175.548 176.094 0.034 0.000 1.034 412 V CA -0.821 61.479 62.300 0.001 0.000 0.865 412 V CB 2.241 34.064 31.823 0.001 0.000 0.995 412 V HN 0.602 nan 8.190 nan 0.000 0.424 413 V N 6.819 126.766 119.914 0.057 0.000 2.555 413 V HA 0.263 4.383 4.120 0.000 0.000 0.286 413 V C 1.097 177.224 176.094 0.055 0.000 1.044 413 V CA 0.605 62.953 62.300 0.081 0.000 1.026 413 V CB 1.205 33.088 31.823 0.099 0.000 0.981 413 V HN 1.074 nan 8.190 nan 0.000 0.480 414 N N 2.971 121.705 118.700 0.056 0.000 2.387 414 N HA 0.258 4.999 4.740 0.000 0.000 0.176 414 N C 0.463 175.994 175.510 0.034 0.000 1.022 414 N CA 0.522 53.596 53.050 0.039 0.000 0.883 414 N CB 0.397 38.906 38.487 0.037 0.000 1.019 414 N HN 0.751 nan 8.380 nan 0.000 0.435 415 G N -0.116 108.712 108.800 0.047 0.000 2.698 415 G HA2 0.470 4.430 3.960 0.000 0.000 0.293 415 G HA3 0.470 4.430 3.960 0.000 0.000 0.293 415 G C -2.154 172.784 174.900 0.064 0.000 1.437 415 G CA -0.351 44.774 45.100 0.043 0.000 0.852 415 G HN -0.021 nan 8.290 nan 0.000 0.499 416 V N 0.035 119.986 119.914 0.062 0.000 2.525 416 V HA 0.896 5.016 4.120 0.000 0.000 0.299 416 V C -0.439 175.715 176.094 0.100 0.000 1.034 416 V CA 0.186 62.543 62.300 0.094 0.000 0.863 416 V CB 0.912 32.788 31.823 0.088 0.000 0.999 416 V HN 1.991 nan 8.190 nan 0.000 0.423 417 A N 6.580 129.478 122.820 0.130 0.000 2.515 417 A HA 0.876 5.196 4.320 0.000 0.000 0.298 417 A C -1.300 176.374 177.584 0.150 0.000 1.059 417 A CA -0.616 51.490 52.037 0.116 0.000 0.698 417 A CB 1.759 20.806 19.000 0.078 0.000 1.289 417 A HN 0.889 nan 8.150 nan 0.000 0.404 418 I N 1.773 122.412 120.570 0.116 0.000 2.330 418 I HA 0.245 4.415 4.170 0.000 0.000 0.289 418 I C -0.662 175.498 176.117 0.071 0.000 1.001 418 I CA -0.167 61.195 61.300 0.104 0.000 1.193 418 I CB 1.674 39.712 38.000 0.064 0.000 1.345 418 I HN 0.731 nan 8.210 nan 0.000 0.461 419 D N 6.350 126.791 120.400 0.069 0.000 2.564 419 D HA 0.499 5.139 4.640 0.000 0.000 0.226 419 D C 0.102 176.441 176.300 0.064 0.000 1.149 419 D CA -0.254 53.774 54.000 0.048 0.000 0.994 419 D CB 0.377 41.196 40.800 0.032 0.000 1.029 419 D HN 0.615 nan 8.370 nan 0.000 0.517 420 G N 1.836 110.678 108.800 0.069 0.000 3.000 420 G HA2 0.406 4.366 3.960 0.000 0.000 0.170 420 G HA3 0.406 4.366 3.960 0.000 0.000 0.170 420 G C -0.011 174.915 174.900 0.043 0.000 1.160 420 G CA -0.159 44.995 45.100 0.090 0.000 0.945 420 G HN 0.249 nan 8.290 nan 0.000 0.593 421 E N -1.310 118.898 120.200 0.013 0.000 3.706 421 E HA 0.202 4.552 4.350 0.000 0.000 0.266 421 E C 0.125 176.652 176.600 -0.122 0.000 1.251 421 E CA 0.055 56.438 56.400 -0.027 0.000 1.870 421 E CB 0.881 30.587 29.700 0.010 0.000 1.842 421 E HN 0.927 nan 8.360 nan 0.000 0.862 422 L N 1.728 122.837 121.223 -0.189 0.000 2.586 422 L HA -0.100 4.240 4.340 0.000 0.000 0.690 422 L C -0.924 175.835 176.870 -0.185 0.000 1.053 422 L CA 0.078 54.704 54.840 -0.357 0.000 1.383 422 L CB -1.094 40.688 42.059 -0.461 0.000 2.057 422 L HN 0.467 nan 8.230 nan 0.000 0.951 423 I N 2.472 122.973 120.570 -0.115 0.000 2.534 423 I HA 0.643 4.813 4.170 0.000 0.000 0.288 423 I C 0.212 176.288 176.117 -0.069 0.000 1.077 423 I CA 0.136 61.360 61.300 -0.126 0.000 1.051 423 I CB 2.086 39.969 38.000 -0.195 0.000 1.234 423 I HN 0.373 nan 8.210 nan 0.000 0.425 424 T N 4.195 118.688 114.554 -0.101 0.000 2.829 424 T HA 0.772 5.122 4.350 0.000 0.000 0.280 424 T C -0.589 174.117 174.700 0.010 0.000 0.999 424 T CA -0.474 61.502 62.100 -0.206 0.000 0.983 424 T CB 1.406 70.099 68.868 -0.291 0.000 0.968 424 T HN 0.456 nan 8.240 nan 0.000 0.446 425 F N -0.375 119.536 119.950 -0.064 0.000 2.894 425 F HA 0.880 5.407 4.527 0.000 0.000 0.332 425 F C -1.781 173.894 175.800 -0.209 0.000 1.192 425 F CA -2.425 55.538 58.000 -0.063 0.000 0.980 425 F CB 0.873 39.870 39.000 -0.006 0.000 1.448 425 F HN 0.401 nan 8.300 nan 0.000 0.514 426 F N 1.888 122.100 119.950 0.436 0.000 2.359 426 F HA 0.369 4.896 4.527 0.000 0.000 0.369 426 F C 0.285 176.259 175.800 0.291 0.000 1.084 426 F CA -0.881 57.257 58.000 0.229 0.000 1.096 426 F CB 0.048 39.057 39.000 0.014 0.000 1.335 426 F HN 0.437 nan 8.300 nan 0.000 0.457 427 D N 1.698 122.439 120.400 0.568 0.000 2.223 427 D HA 0.120 4.760 4.640 0.000 0.000 0.250 427 D C -0.372 176.183 176.300 0.426 0.000 1.287 427 D CA 0.451 54.727 54.000 0.460 0.000 0.977 427 D CB 0.553 41.597 40.800 0.406 0.000 1.177 427 D HN 0.523 nan 8.370 nan 0.000 0.536 428 E N -0.797 119.613 120.200 0.350 0.000 2.304 428 E HA 0.340 4.690 4.350 0.000 0.000 0.277 428 E C -1.635 175.145 176.600 0.300 0.000 0.898 428 E CA -0.560 56.026 56.400 0.310 0.000 0.764 428 E CB 1.462 31.285 29.700 0.205 0.000 1.216 428 E HN 0.196 nan 8.360 nan 0.000 0.419 429 F N 1.899 121.908 119.950 0.099 0.000 2.577 429 F HA 0.478 5.005 4.527 0.000 0.000 0.318 429 F C -1.008 174.828 175.800 0.060 0.000 1.065 429 F CA -0.349 57.702 58.000 0.086 0.000 0.929 429 F CB 2.029 41.088 39.000 0.099 0.000 1.237 429 F HN 0.336 nan 8.300 nan 0.000 0.468 430 Q N 3.912 123.441 119.800 -0.452 0.000 2.274 430 Q HA 0.321 4.661 4.340 0.000 0.000 0.268 430 Q C -1.795 174.060 176.000 -0.242 0.000 1.015 430 Q CA -0.828 54.811 55.803 -0.273 0.000 0.775 430 Q CB 2.251 30.840 28.738 -0.249 0.000 1.256 430 Q HN 0.649 nan 8.270 nan 0.000 0.442 431 Y N -0.547 119.732 120.300 -0.035 0.000 2.621 431 Y HA 0.793 5.343 4.550 0.000 0.000 0.334 431 Y C -0.563 175.404 175.900 0.111 0.000 1.074 431 Y CA -1.293 56.888 58.100 0.134 0.000 1.149 431 Y CB 1.592 40.273 38.460 0.369 0.000 1.302 431 Y HN 0.349 nan 8.280 nan 0.000 0.501 432 S N 1.390 117.214 115.700 0.208 0.000 2.437 432 S HA 0.397 4.867 4.470 0.000 0.000 0.305 432 S C 0.022 174.721 174.600 0.166 0.000 1.109 432 S CA -0.843 57.414 58.200 0.096 0.000 1.099 432 S CB 0.267 63.541 63.200 0.124 0.000 1.004 432 S HN 0.816 nan 8.310 nan 0.000 0.475 433 L N 5.851 127.118 121.223 0.073 0.000 2.713 433 L HA 0.168 4.508 4.340 0.000 0.000 0.245 433 L C 1.343 178.312 176.870 0.165 0.000 1.169 433 L CA 0.169 55.080 54.840 0.118 0.000 0.962 433 L CB -0.466 41.635 42.059 0.070 0.000 1.161 433 L HN 0.759 nan 8.230 nan 0.000 0.427 434 I N -0.242 120.438 120.570 0.184 0.000 2.286 434 I HA -0.230 3.940 4.170 0.000 0.000 0.245 434 I C 1.714 177.981 176.117 0.249 0.000 1.104 434 I CA 1.015 62.435 61.300 0.199 0.000 1.397 434 I CB -0.072 38.034 38.000 0.178 0.000 1.072 434 I HN 0.349 nan 8.210 nan 0.000 0.417 435 N N 1.032 119.906 118.700 0.291 0.000 2.519 435 N HA -0.086 4.654 4.740 0.000 0.000 0.186 435 N C 1.606 177.388 175.510 0.454 0.000 1.062 435 N CA 1.016 54.283 53.050 0.362 0.000 0.910 435 N CB -0.101 38.587 38.487 0.334 0.000 0.958 435 N HN 0.340 nan 8.380 nan 0.000 0.445 436 A N -0.018 123.014 122.820 0.354 0.000 1.930 436 A HA 0.047 4.367 4.320 0.000 0.000 0.215 436 A C 0.923 178.744 177.584 0.395 0.000 1.176 436 A CA 0.589 52.836 52.037 0.350 0.000 0.632 436 A CB -0.403 18.692 19.000 0.158 0.000 0.819 436 A HN 0.122 nan 8.150 nan 0.000 0.445 437 V N 0.191 120.302 119.914 0.329 0.000 2.509 437 V HA 0.526 4.646 4.120 0.000 0.000 0.284 437 V C -1.236 174.949 176.094 0.151 0.000 1.047 437 V CA -0.961 61.496 62.300 0.261 0.000 0.952 437 V CB 0.947 32.931 31.823 0.269 0.000 0.988 437 V HN 0.455 nan 8.190 nan 0.000 0.469 438 D N 3.443 123.871 120.400 0.045 0.000 2.264 438 D HA 0.498 5.139 4.640 0.000 0.000 0.250 438 D C -0.209 176.125 176.300 0.057 0.000 1.113 438 D CA -0.212 53.828 54.000 0.067 0.000 0.871 438 D CB 1.567 42.398 40.800 0.051 0.000 1.167 438 D HN 0.654 nan 8.370 nan 0.000 0.447 439 S N 1.281 117.028 115.700 0.078 0.000 2.596 439 S HA 0.596 5.066 4.470 0.000 0.000 0.318 439 S C 0.718 175.348 174.600 0.051 0.000 1.097 439 S CA -0.606 57.630 58.200 0.060 0.000 1.080 439 S CB 0.768 64.009 63.200 0.067 0.000 0.991 439 S HN 0.577 nan 8.310 nan 0.000 0.471 440 G N 3.458 112.279 108.800 0.034 0.000 2.948 440 G HA2 0.365 4.325 3.960 0.000 0.000 0.174 440 G HA3 0.365 4.325 3.960 0.000 0.000 0.174 440 G C -0.552 174.358 174.900 0.016 0.000 1.839 440 G CA 0.129 45.245 45.100 0.027 0.000 0.908 440 G HN 0.662 nan 8.290 nan 0.000 0.419 441 E N -1.008 119.196 120.200 0.007 0.000 2.356 441 E HA 0.346 4.697 4.350 0.000 0.000 0.275 441 E C -0.469 176.129 176.600 -0.004 0.000 0.904 441 E CA -0.749 55.649 56.400 -0.003 0.000 0.757 441 E CB 1.835 31.531 29.700 -0.008 0.000 1.232 441 E HN 0.481 nan 8.360 nan 0.000 0.442 442 N N 0.455 119.150 118.700 -0.009 0.000 2.778 442 N HA -0.234 4.506 4.740 0.000 0.000 0.249 442 N C -0.616 174.892 175.510 -0.003 0.000 1.069 442 N CA 0.440 53.484 53.050 -0.009 0.000 0.831 442 N CB -0.528 37.953 38.487 -0.009 0.000 1.142 442 N HN 0.309 nan 8.380 nan 0.000 0.573 443 I N 2.009 122.579 120.570 0.001 0.000 2.378 443 I HA 0.188 4.358 4.170 0.000 0.000 0.291 443 I C 0.188 176.309 176.117 0.008 0.000 0.992 443 I CA -0.756 60.549 61.300 0.007 0.000 1.154 443 I CB 1.174 39.181 38.000 0.012 0.000 1.315 443 I HN 0.057 nan 8.210 nan 0.000 0.448 444 E N 5.412 125.617 120.200 0.009 0.000 2.227 444 E HA 0.327 4.677 4.350 0.000 0.000 0.268 444 E C -0.998 175.613 176.600 0.019 0.000 0.990 444 E CA -0.908 55.497 56.400 0.008 0.000 0.856 444 E CB 0.888 30.589 29.700 0.001 0.000 1.159 444 E HN 0.429 nan 8.360 nan 0.000 0.401 445 D N 1.162 121.574 120.400 0.020 0.000 2.487 445 D HA 0.030 4.670 4.640 0.000 0.000 0.243 445 D C -1.012 175.305 176.300 0.028 0.000 1.154 445 D CA 0.361 54.379 54.000 0.031 0.000 0.876 445 D CB 1.434 42.253 40.800 0.031 0.000 1.161 445 D HN 0.243 nan 8.370 nan 0.000 0.478 446 V N 3.630 123.568 119.914 0.040 0.000 2.487 446 V HA 0.173 4.293 4.120 0.000 0.000 0.298 446 V C -0.356 175.761 176.094 0.038 0.000 1.028 446 V CA -0.800 61.520 62.300 0.033 0.000 0.860 446 V CB 1.863 33.711 31.823 0.042 0.000 0.991 446 V HN 0.475 nan 8.190 nan 0.000 0.427 447 E N 6.823 127.033 120.200 0.016 0.000 2.052 447 E HA 0.366 4.716 4.350 0.000 0.000 0.283 447 E C -0.967 175.622 176.600 -0.018 0.000 1.071 447 E CA -0.309 56.095 56.400 0.007 0.000 0.851 447 E CB 0.684 30.378 29.700 -0.010 0.000 1.066 447 E HN 0.715 nan 8.360 nan 0.000 0.396 448 I N 4.173 124.745 120.570 0.003 0.000 2.460 448 I HA 0.352 4.522 4.170 0.000 0.000 0.298 448 I C 0.193 176.273 176.117 -0.062 0.000 0.989 448 I CA -0.708 60.577 61.300 -0.025 0.000 1.173 448 I CB 1.742 39.802 38.000 0.100 0.000 1.338 448 I HN 0.483 nan 8.210 nan 0.000 0.456 449 N N 2.761 121.359 118.700 -0.170 0.000 2.357 449 N HA 0.739 5.479 4.740 0.000 0.000 0.284 449 N C -1.416 173.961 175.510 -0.222 0.000 1.236 449 N CA -0.777 52.160 53.050 -0.188 0.000 0.774 449 N CB 2.531 40.900 38.487 -0.197 0.000 1.534 449 N HN 0.599 nan 8.380 nan 0.000 0.478 450 A N 1.197 123.817 122.820 -0.332 0.000 2.331 450 A HA 0.574 4.894 4.320 0.000 0.000 0.320 450 A C -0.587 176.779 177.584 -0.364 0.000 1.138 450 A CA -0.490 51.315 52.037 -0.386 0.000 0.790 450 A CB 0.906 19.483 19.000 -0.705 0.000 1.206 450 A HN 0.725 nan 8.150 nan 0.000 0.470 451 R N 1.930 122.319 120.500 -0.186 0.000 2.393 451 R HA 0.612 4.952 4.340 0.000 0.000 0.315 451 R C -0.900 175.366 176.300 -0.057 0.000 0.952 451 R CA -0.381 55.650 56.100 -0.114 0.000 0.842 451 R CB 1.372 31.592 30.300 -0.134 0.000 1.163 451 R HN 0.844 nan 8.270 nan 0.000 0.450 452 V N 0.556 120.512 119.914 0.070 0.000 2.919 452 V HA 0.508 4.628 4.120 0.000 0.000 0.316 452 V C -0.769 175.397 176.094 0.120 0.000 1.077 452 V CA -0.753 61.606 62.300 0.098 0.000 0.977 452 V CB 1.843 33.815 31.823 0.249 0.000 1.039 452 V HN 0.888 nan 8.190 nan 0.000 0.441 453 H N 3.520 122.592 119.070 0.002 0.000 2.690 453 H HA 0.551 5.107 4.556 0.000 0.000 0.280 453 H C -0.044 175.365 175.328 0.135 0.000 1.138 453 H CA -0.772 55.267 56.048 -0.014 0.000 1.241 453 H CB 0.643 30.227 29.762 -0.296 0.000 1.394 453 H HN 0.742 nan 8.280 nan 0.000 0.489 454 R N 3.055 123.797 120.500 0.403 0.000 2.832 454 R HA 0.367 4.707 4.340 0.000 0.000 0.271 454 R C -0.927 175.712 176.300 0.566 0.000 0.996 454 R CA -1.193 55.167 56.100 0.434 0.000 0.977 454 R CB 1.683 32.104 30.300 0.202 0.000 1.168 454 R HN 0.229 nan 8.270 nan 0.000 0.482 455 L N 0.712 122.206 121.223 0.453 0.000 2.476 455 L HA 0.289 4.629 4.340 0.000 0.000 0.264 455 L C -0.482 176.273 176.870 -0.190 0.000 1.224 455 L CA 0.637 55.419 54.840 -0.097 0.000 0.821 455 L CB 0.372 42.318 42.059 -0.189 0.000 1.101 455 L HN 0.953 nan 8.230 nan 0.000 0.488 456 N N -1.302 117.082 118.700 -0.526 0.000 3.127 456 N HA 0.411 5.151 4.740 0.000 0.000 0.239 456 N C -1.879 172.972 175.510 -1.098 0.000 1.407 456 N CA -0.608 52.005 53.050 -0.727 0.000 0.891 456 N CB 0.817 38.927 38.487 -0.628 0.000 1.447 456 N HN 0.851 nan 8.380 nan 0.000 0.507 457 H N -0.803 117.808 119.070 -0.766 0.000 2.949 457 H HA 0.655 5.211 4.556 0.000 0.000 0.310 457 H C -1.502 173.746 175.328 -0.132 0.000 1.405 457 H CA -0.773 54.993 56.048 -0.470 0.000 1.253 457 H CB 0.816 30.446 29.762 -0.221 0.000 1.932 457 H HN 0.300 nan 8.280 nan 0.000 0.602 458 N N 0.250 119.088 118.700 0.230 0.000 2.321 458 N HA 0.165 4.905 4.740 0.000 0.000 0.299 458 N C -1.249 174.499 175.510 0.396 0.000 1.048 458 N CA -0.898 52.314 53.050 0.269 0.000 0.836 458 N CB 1.707 40.347 38.487 0.255 0.000 1.269 458 N HN 0.775 nan 8.380 nan 0.000 0.486 459 E N 1.227 121.552 120.200 0.208 0.000 2.467 459 E HA 0.158 4.508 4.350 0.000 0.000 0.264 459 E C -0.837 175.861 176.600 0.163 0.000 1.020 459 E CA 0.175 56.639 56.400 0.106 0.000 0.945 459 E CB 0.029 29.716 29.700 -0.020 0.000 0.942 459 E HN 0.452 nan 8.360 nan 0.000 0.449 460 F N -1.139 118.776 119.950 -0.059 0.000 2.650 460 F HA 0.446 4.974 4.527 0.000 0.000 0.310 460 F C -0.941 174.734 175.800 -0.209 0.000 1.112 460 F CA -0.841 57.085 58.000 -0.123 0.000 0.986 460 F CB 1.522 40.433 39.000 -0.148 0.000 1.285 460 F HN 0.509 nan 8.300 nan 0.000 0.440 461 T N 0.282 114.719 114.554 -0.196 0.000 2.952 461 T HA 0.684 5.034 4.350 0.000 0.000 0.286 461 T C -1.279 173.307 174.700 -0.190 0.000 1.024 461 T CA -0.405 61.520 62.100 -0.291 0.000 1.029 461 T CB 1.195 69.971 68.868 -0.153 0.000 1.094 461 T HN 0.557 nan 8.240 nan 0.000 0.515 462 Y N 0.688 120.977 120.300 -0.018 0.000 2.376 462 Y HA 0.583 5.134 4.550 0.000 0.000 0.325 462 Y C 0.716 176.626 175.900 0.017 0.000 1.199 462 Y CA -0.694 57.436 58.100 0.051 0.000 1.206 462 Y CB 1.489 39.993 38.460 0.073 0.000 1.229 462 Y HN 0.574 nan 8.280 nan 0.000 0.480 463 K N 3.451 123.995 120.400 0.240 0.000 2.764 463 K HA 0.364 4.684 4.320 0.000 0.000 0.239 463 K C -1.753 174.927 176.600 0.133 0.000 1.048 463 K CA -0.312 56.052 56.287 0.129 0.000 1.057 463 K CB 1.025 33.577 32.500 0.087 0.000 1.251 463 K HN 0.427 nan 8.250 nan 0.000 0.524 464 I N 2.144 122.778 120.570 0.108 0.000 2.315 464 I HA 0.151 4.321 4.170 0.000 0.000 0.291 464 I C -0.053 176.122 176.117 0.096 0.000 1.006 464 I CA 0.097 61.462 61.300 0.109 0.000 1.265 464 I CB 1.649 39.707 38.000 0.097 0.000 1.387 464 I HN 0.376 nan 8.210 nan 0.000 0.475 465 T N 7.816 122.431 114.554 0.101 0.000 2.786 465 T HA 0.813 5.163 4.350 0.000 0.000 0.283 465 T C -0.366 174.392 174.700 0.096 0.000 0.992 465 T CA -0.717 61.433 62.100 0.083 0.000 0.954 465 T CB 0.852 69.756 68.868 0.060 0.000 0.934 465 T HN 0.595 nan 8.240 nan 0.000 0.440 466 M N -0.054 119.605 119.600 0.100 0.000 2.415 466 M HA 0.539 5.019 4.480 0.000 0.000 0.292 466 M C -1.480 174.864 176.300 0.074 0.000 1.107 466 M CA -0.857 54.500 55.300 0.094 0.000 0.927 466 M CB 1.592 34.279 32.600 0.145 0.000 1.808 466 M HN 0.277 nan 8.290 nan 0.000 0.509 467 S N 2.086 117.809 115.700 0.038 0.000 2.554 467 S HA 0.394 4.864 4.470 0.000 0.000 0.278 467 S C -0.311 174.275 174.600 -0.024 0.000 1.242 467 S CA -0.704 57.504 58.200 0.012 0.000 1.051 467 S CB 0.986 64.188 63.200 0.004 0.000 0.986 467 S HN 0.707 nan 8.310 nan 0.000 0.502 468 N N 2.120 120.799 118.700 -0.034 0.000 2.678 468 N HA 0.169 4.909 4.740 0.000 0.000 0.231 468 N C -0.974 174.495 175.510 -0.069 0.000 1.038 468 N CA -0.228 52.775 53.050 -0.079 0.000 0.932 468 N CB -0.257 38.199 38.487 -0.051 0.000 1.176 468 N HN 0.560 nan 8.380 nan 0.000 0.511 469 N N 2.064 120.714 118.700 -0.083 0.000 2.758 469 N HA 0.130 4.870 4.740 0.000 0.000 0.293 469 N C -0.677 174.792 175.510 -0.068 0.000 1.273 469 N CA -0.262 52.754 53.050 -0.058 0.000 1.022 469 N CB 0.278 38.739 38.487 -0.043 0.000 1.334 469 N HN 0.500 nan 8.380 nan 0.000 0.519 470 N N -0.508 118.145 118.700 -0.078 0.000 2.619 470 N HA 0.131 4.871 4.740 0.000 0.000 0.294 470 N C 0.379 175.861 175.510 -0.046 0.000 1.279 470 N CA -0.706 52.299 53.050 -0.075 0.000 0.867 470 N CB 1.307 39.722 38.487 -0.120 0.000 1.329 470 N HN 0.130 nan 8.380 nan 0.000 0.557 471 D N -1.121 119.258 120.400 -0.034 0.000 2.271 471 D HA 0.074 4.714 4.640 0.000 0.000 0.206 471 D C 0.722 177.012 176.300 -0.017 0.000 0.967 471 D CA 0.381 54.368 54.000 -0.021 0.000 0.867 471 D CB 0.356 41.147 40.800 -0.015 0.000 0.960 471 D HN 0.460 nan 8.370 nan 0.000 0.509 472 G N 0.482 109.271 108.800 -0.018 0.000 3.264 472 G HA2 0.399 4.359 3.960 0.000 0.000 0.168 472 G HA3 0.399 4.359 3.960 0.000 0.000 0.168 472 G C -0.975 173.920 174.900 -0.008 0.000 1.145 472 G CA -0.605 44.490 45.100 -0.009 0.000 0.855 472 G HN 0.270 nan 8.290 nan 0.000 0.629 473 E N 0.179 120.382 120.200 0.004 0.000 2.204 473 E HA 0.691 5.041 4.350 0.000 0.000 0.276 473 E C -0.823 175.793 176.600 0.027 0.000 0.974 473 E CA -0.819 55.592 56.400 0.019 0.000 0.815 473 E CB 1.721 31.438 29.700 0.028 0.000 1.119 473 E HN 0.249 nan 8.360 nan 0.000 0.393 474 R N 2.540 123.070 120.500 0.049 0.000 2.725 474 R HA 0.415 4.755 4.340 0.000 0.000 0.277 474 R C -0.767 175.626 176.300 0.155 0.000 0.987 474 R CA -0.993 55.164 56.100 0.096 0.000 0.901 474 R CB 1.521 31.872 30.300 0.085 0.000 1.207 474 R HN 0.652 nan 8.270 nan 0.000 0.463 475 L N 1.370 122.681 121.223 0.146 0.000 2.326 475 L HA 0.614 4.954 4.340 0.000 0.000 0.278 475 L C -0.506 176.451 176.870 0.145 0.000 1.092 475 L CA -0.289 54.620 54.840 0.115 0.000 0.810 475 L CB 1.195 43.260 42.059 0.010 0.000 1.153 475 L HN 0.848 nan 8.230 nan 0.000 0.439 476 A N 2.572 125.472 122.820 0.134 0.000 2.449 476 A HA 0.682 5.002 4.320 0.000 0.000 0.302 476 A C -0.685 176.831 177.584 -0.113 0.000 1.048 476 A CA -0.512 51.494 52.037 -0.052 0.000 0.708 476 A CB 1.664 20.657 19.000 -0.012 0.000 1.274 476 A HN 0.622 nan 8.150 nan 0.000 0.410 477 T N 1.785 116.169 114.554 -0.282 0.000 2.733 477 T HA 0.480 4.830 4.350 0.000 0.000 0.294 477 T C -0.792 173.584 174.700 -0.540 0.000 0.956 477 T CA 0.236 62.225 62.100 -0.184 0.000 0.987 477 T CB -0.230 68.627 68.868 -0.019 0.000 0.920 477 T HN 0.312 nan 8.240 nan 0.000 0.470 478 F N 3.503 123.125 119.950 -0.547 0.000 2.368 478 F HA 0.339 4.866 4.527 0.000 0.000 0.362 478 F C 1.250 176.684 175.800 -0.610 0.000 1.137 478 F CA -0.751 56.799 58.000 -0.749 0.000 1.161 478 F CB 0.426 38.501 39.000 -1.543 0.000 1.265 478 F HN 0.213 nan 8.300 nan 0.000 0.530 479 R N 4.988 125.330 120.500 -0.264 0.000 2.229 479 R HA 0.602 4.942 4.340 0.000 0.000 0.332 479 R C -0.872 175.260 176.300 -0.280 0.000 0.989 479 R CA -0.491 55.457 56.100 -0.253 0.000 0.842 479 R CB 1.472 31.747 30.300 -0.041 0.000 1.119 479 R HN 0.562 nan 8.270 nan 0.000 0.456 480 I N 4.551 124.836 120.570 -0.476 0.000 2.448 480 I HA 0.307 4.477 4.170 0.000 0.000 0.281 480 I C -0.759 175.101 176.117 -0.429 0.000 1.027 480 I CA -0.605 60.487 61.300 -0.346 0.000 1.111 480 I CB 0.836 38.651 38.000 -0.307 0.000 1.236 480 I HN 0.346 nan 8.210 nan 0.000 0.452 481 F N 5.890 125.935 119.950 0.158 0.000 2.432 481 F HA 0.545 5.072 4.527 0.000 0.000 0.329 481 F C -0.077 175.844 175.800 0.201 0.000 1.076 481 F CA -0.982 57.118 58.000 0.168 0.000 1.018 481 F CB 1.444 40.535 39.000 0.152 0.000 1.201 481 F HN 0.261 nan 8.300 nan 0.000 0.489 482 L N 3.314 124.739 121.223 0.336 0.000 2.384 482 L HA 0.548 4.889 4.340 0.000 0.000 0.261 482 L C -1.077 176.004 176.870 0.350 0.000 1.024 482 L CA -0.153 54.835 54.840 0.246 0.000 0.899 482 L CB 0.104 42.168 42.059 0.009 0.000 1.243 482 L HN 0.695 nan 8.230 nan 0.000 0.449 483 c N 4.700 123.538 118.600 0.396 0.000 2.362 483 c HA 0.682 5.252 4.570 0.000 0.000 0.363 483 c C -2.009 172.364 174.090 0.472 0.000 1.220 483 c CA -0.883 55.663 56.329 0.362 0.000 2.379 483 c CB 0.974 43.618 42.510 0.223 0.000 2.351 483 c HN 0.625 nan 8.230 nan 0.000 0.582 484 P HA 0.434 nan 4.420 nan 0.000 0.281 484 P C -0.121 177.285 177.300 0.177 0.000 1.264 484 P CA -0.082 63.203 63.100 0.309 0.000 0.824 484 P CB 1.138 32.782 31.700 -0.094 0.000 1.092 485 I N -1.078 119.560 120.570 0.112 0.000 3.345 485 I HA 0.141 4.311 4.170 0.000 0.000 0.258 485 I C 1.127 177.262 176.117 0.031 0.000 1.134 485 I CA 0.395 61.735 61.300 0.066 0.000 1.457 485 I CB 0.039 38.066 38.000 0.045 0.000 1.425 485 I HN 0.279 nan 8.210 nan 0.000 0.461 486 E N 1.036 121.235 120.200 -0.001 0.000 2.239 486 E HA 0.062 4.412 4.350 0.000 0.000 0.261 486 E C -0.175 176.415 176.600 -0.017 0.000 1.016 486 E CA -0.408 55.991 56.400 -0.001 0.000 0.882 486 E CB 1.460 31.158 29.700 -0.005 0.000 1.190 486 E HN 0.058 nan 8.360 nan 0.000 0.415 487 D N 0.420 120.819 120.400 -0.002 0.000 2.323 487 D HA -0.096 4.544 4.640 0.000 0.000 0.209 487 D C 0.136 176.429 176.300 -0.011 0.000 0.973 487 D CA 0.354 54.351 54.000 -0.005 0.000 0.874 487 D CB 0.091 40.906 40.800 0.025 0.000 0.930 487 D HN 0.538 nan 8.370 nan 0.000 0.521 488 N N 0.270 118.976 118.700 0.011 0.000 2.816 488 N HA -0.176 4.564 4.740 0.000 0.000 0.247 488 N C -0.405 175.134 175.510 0.049 0.000 1.100 488 N CA 0.806 53.882 53.050 0.044 0.000 0.687 488 N CB -1.434 37.061 38.487 0.013 0.000 1.003 488 N HN 0.177 nan 8.380 nan 0.000 0.554 489 N N -1.282 117.444 118.700 0.043 0.000 2.149 489 N HA 0.161 4.901 4.740 0.000 0.000 0.311 489 N C 0.685 176.213 175.510 0.030 0.000 1.063 489 N CA 0.833 53.903 53.050 0.034 0.000 0.690 489 N CB -0.162 38.343 38.487 0.030 0.000 1.958 489 N HN 0.718 nan 8.380 nan 0.000 0.766 490 G N 1.922 110.741 108.800 0.031 0.000 2.149 490 G HA2 -0.239 3.721 3.960 0.000 0.000 0.235 490 G HA3 -0.239 3.721 3.960 0.000 0.000 0.235 490 G C 0.871 175.784 174.900 0.021 0.000 1.018 490 G CA 0.504 45.619 45.100 0.026 0.000 0.728 490 G HN 0.361 nan 8.290 nan 0.000 0.508 491 I N -0.122 120.462 120.570 0.023 0.000 2.614 491 I HA 0.011 4.181 4.170 0.000 0.000 0.258 491 I C 1.563 177.697 176.117 0.028 0.000 1.189 491 I CA 1.078 62.394 61.300 0.026 0.000 1.462 491 I CB -0.335 37.682 38.000 0.029 0.000 1.092 491 I HN 0.600 nan 8.210 nan 0.000 0.442 492 T N 2.484 117.055 114.554 0.029 0.000 2.183 492 T HA -0.108 4.242 4.350 0.000 0.000 0.552 492 T C 0.012 174.738 174.700 0.045 0.000 0.866 492 T CA -0.308 61.813 62.100 0.035 0.000 2.936 492 T CB -1.272 67.616 68.868 0.033 0.000 1.770 492 T HN 0.255 nan 8.240 nan 0.000 0.456 493 L N 3.417 124.673 121.223 0.056 0.000 2.470 493 L HA 0.683 5.023 4.340 0.000 0.000 0.243 493 L C 1.769 178.677 176.870 0.062 0.000 1.227 493 L CA 0.401 55.284 54.840 0.071 0.000 0.824 493 L CB -0.286 41.843 42.059 0.115 0.000 1.175 493 L HN 0.664 nan 8.230 nan 0.000 0.503 494 T N -2.346 112.241 114.554 0.056 0.000 3.316 494 T HA 0.404 4.754 4.350 0.000 0.000 0.253 494 T C 0.451 175.168 174.700 0.027 0.000 0.995 494 T CA -0.406 61.719 62.100 0.041 0.000 1.031 494 T CB -0.674 68.212 68.868 0.029 0.000 1.125 494 T HN 0.642 nan 8.240 nan 0.000 0.539 495 L N 0.754 121.990 121.223 0.021 0.000 3.941 495 L HA -0.277 4.064 4.340 0.000 0.000 0.455 495 L C 0.110 176.966 176.870 -0.023 0.000 1.179 495 L CA 1.761 56.584 54.840 -0.028 0.000 0.782 495 L CB -1.090 40.934 42.059 -0.058 0.000 1.679 495 L HN 0.665 nan 8.230 nan 0.000 0.871 496 D N -2.457 117.939 120.400 -0.006 0.000 2.151 496 D HA -0.006 4.634 4.640 0.000 0.000 0.260 496 D C 1.261 177.547 176.300 -0.024 0.000 1.358 496 D CA 0.632 54.619 54.000 -0.022 0.000 1.309 496 D CB -0.051 40.731 40.800 -0.030 0.000 2.149 496 D HN 0.485 nan 8.370 nan 0.000 0.379 497 E N 0.272 120.474 120.200 0.003 0.000 2.107 497 E HA 0.073 4.423 4.350 0.000 0.000 0.191 497 E C 1.444 178.094 176.600 0.083 0.000 0.982 497 E CA 1.147 57.557 56.400 0.016 0.000 0.809 497 E CB 0.144 29.881 29.700 0.063 0.000 0.756 497 E HN 0.260 nan 8.360 nan 0.000 0.459 498 A N 1.278 124.179 122.820 0.134 0.000 2.252 498 A HA 0.021 4.341 4.320 0.000 0.000 0.213 498 A C 1.895 179.565 177.584 0.143 0.000 1.188 498 A CA -0.014 52.165 52.037 0.237 0.000 0.863 498 A CB -0.150 18.953 19.000 0.171 0.000 0.893 498 A HN 0.150 nan 8.150 nan 0.000 0.495 499 R N -1.136 119.398 120.500 0.057 0.000 2.091 499 R HA -0.166 4.175 4.340 0.000 0.000 0.238 499 R C 2.011 178.388 176.300 0.128 0.000 1.136 499 R CA 1.468 57.574 56.100 0.011 0.000 0.959 499 R CB -0.610 29.683 30.300 -0.013 0.000 0.856 499 R HN 0.676 nan 8.270 nan 0.000 0.437 500 W N 0.447 121.718 121.300 -0.048 0.000 2.584 500 W HA -0.029 4.631 4.660 0.000 0.000 0.264 500 W C 0.549 177.126 176.519 0.097 0.000 1.264 500 W CA 0.180 57.542 57.345 0.029 0.000 1.306 500 W CB 0.130 29.538 29.460 -0.087 0.000 1.110 500 W HN 0.082 nan 8.180 nan 0.000 0.606 501 F N 0.682 120.659 119.950 0.046 0.000 2.710 501 F HA 0.043 4.570 4.527 0.000 0.000 0.298 501 F C 1.395 177.042 175.800 -0.255 0.000 1.137 501 F CA -0.232 57.666 58.000 -0.170 0.000 1.444 501 F CB -1.129 37.762 39.000 -0.181 0.000 1.111 501 F HN -0.355 nan 8.300 nan 0.000 0.580 502 c N 2.739 121.379 118.600 0.067 0.000 2.637 502 c HA 0.385 4.955 4.570 0.000 0.000 0.418 502 c C 0.782 174.913 174.090 0.070 0.000 1.319 502 c CA -1.257 55.142 56.329 0.117 0.000 1.949 502 c CB -1.272 41.307 42.510 0.115 0.000 2.639 502 c HN 0.281 nan 8.230 nan 0.000 0.594 503 I N 0.014 120.694 120.570 0.182 0.000 2.392 503 I HA 0.491 4.661 4.170 0.000 0.000 0.295 503 I C -0.011 176.216 176.117 0.184 0.000 0.985 503 I CA -0.322 61.018 61.300 0.066 0.000 1.221 503 I CB 0.935 38.955 38.000 0.033 0.000 1.366 503 I HN 0.660 nan 8.210 nan 0.000 0.467 504 E N 3.881 124.178 120.200 0.163 0.000 2.324 504 E HA 0.102 4.453 4.350 0.000 0.000 0.271 504 E C -0.122 176.485 176.600 0.011 0.000 1.028 504 E CA -0.322 56.165 56.400 0.145 0.000 0.890 504 E CB 1.320 31.184 29.700 0.273 0.000 1.004 504 E HN 0.738 nan 8.360 nan 0.000 0.431 505 L N 3.926 125.125 121.223 -0.040 0.000 2.470 505 L HA 0.289 4.629 4.340 0.000 0.000 0.219 505 L C -0.270 176.623 176.870 0.039 0.000 1.071 505 L CA 0.838 55.687 54.840 0.014 0.000 0.850 505 L CB 0.589 42.691 42.059 0.071 0.000 1.040 505 L HN 0.546 nan 8.230 nan 0.000 0.475 506 D N -1.084 119.297 120.400 -0.031 0.000 2.728 506 D HA 0.264 4.904 4.640 0.000 0.000 0.249 506 D C -1.611 174.646 176.300 -0.073 0.000 1.225 506 D CA -0.454 53.561 54.000 0.026 0.000 0.748 506 D CB 1.360 42.254 40.800 0.157 0.000 1.326 506 D HN -0.218 nan 8.370 nan 0.000 0.426 507 K N 2.494 122.889 120.400 -0.008 0.000 2.616 507 K HA 0.441 4.762 4.320 0.000 0.000 0.255 507 K C -1.707 174.829 176.600 -0.107 0.000 0.995 507 K CA -0.582 55.617 56.287 -0.147 0.000 0.860 507 K CB 0.871 33.266 32.500 -0.175 0.000 1.264 507 K HN 0.373 nan 8.250 nan 0.000 0.451 508 F N 1.227 121.028 119.950 -0.247 0.000 2.654 508 F HA 0.624 5.152 4.527 0.000 0.000 0.308 508 F C -1.817 173.898 175.800 -0.140 0.000 1.108 508 F CA -1.302 56.531 58.000 -0.278 0.000 0.957 508 F CB 0.817 39.754 39.000 -0.104 0.000 1.309 508 F HN 0.101 nan 8.300 nan 0.000 0.446 509 F N 1.972 122.092 119.950 0.284 0.000 2.388 509 F HA 0.637 5.164 4.527 0.000 0.000 0.358 509 F C -0.046 175.944 175.800 0.316 0.000 1.122 509 F CA -0.621 57.498 58.000 0.198 0.000 1.056 509 F CB 1.543 40.586 39.000 0.071 0.000 1.155 509 F HN 0.631 nan 8.300 nan 0.000 0.461 510 Q N 2.513 122.659 119.800 0.577 0.000 2.377 510 Q HA 0.455 4.795 4.340 0.000 0.000 0.271 510 Q C -1.160 175.068 176.000 0.380 0.000 1.077 510 Q CA -0.840 55.247 55.803 0.473 0.000 0.820 510 Q CB 1.804 30.867 28.738 0.543 0.000 1.347 510 Q HN 0.488 nan 8.270 nan 0.000 0.444 511 K N 1.937 122.489 120.400 0.253 0.000 2.248 511 K HA 0.385 4.705 4.320 0.000 0.000 0.281 511 K C -1.063 175.649 176.600 0.185 0.000 1.054 511 K CA -0.518 55.882 56.287 0.188 0.000 0.903 511 K CB 1.212 33.784 32.500 0.120 0.000 1.077 511 K HN 0.379 nan 8.250 nan 0.000 0.474 512 V N 5.391 125.415 119.914 0.184 0.000 2.439 512 V HA 0.147 4.267 4.120 0.000 0.000 0.282 512 V C -1.304 174.841 176.094 0.085 0.000 1.039 512 V CA -1.533 60.859 62.300 0.153 0.000 0.913 512 V CB 1.323 33.256 31.823 0.184 0.000 0.983 512 V HN 0.740 nan 8.190 nan 0.000 0.460 513 P HA 0.004 nan 4.420 nan 0.000 0.247 513 P C 0.705 178.018 177.300 0.023 0.000 1.225 513 P CA 0.875 64.000 63.100 0.042 0.000 0.768 513 P CB 0.699 32.423 31.700 0.040 0.000 1.020 514 S N -3.313 112.393 115.700 0.011 0.000 2.130 514 S HA -0.034 4.436 4.470 0.000 0.000 0.254 514 S C 0.512 175.110 174.600 -0.003 0.000 1.284 514 S CA 0.694 58.892 58.200 -0.003 0.000 1.237 514 S CB -1.568 61.633 63.200 0.000 0.000 1.537 514 S HN 0.642 nan 8.310 nan 0.000 0.622 515 G N 0.295 109.099 108.800 0.006 0.000 2.428 515 G HA2 0.524 4.484 3.960 0.000 0.000 0.305 515 G HA3 0.524 4.484 3.960 0.000 0.000 0.305 515 G C -3.350 171.561 174.900 0.019 0.000 1.260 515 G CA -0.150 44.955 45.100 0.007 0.000 0.853 515 G HN 0.179 nan 8.290 nan 0.000 0.480 516 P HA 0.224 nan 4.420 nan 0.000 0.256 516 P C -0.587 176.731 177.300 0.031 0.000 1.173 516 P CA 0.957 64.072 63.100 0.025 0.000 0.768 516 P CB 0.616 32.328 31.700 0.019 0.000 0.758 517 E N 1.841 122.066 120.200 0.042 0.000 2.352 517 E HA 0.390 4.740 4.350 0.000 0.000 0.280 517 E C -1.357 175.274 176.600 0.052 0.000 0.930 517 E CA -0.632 55.795 56.400 0.046 0.000 0.765 517 E CB 1.425 31.159 29.700 0.058 0.000 1.219 517 E HN 0.132 nan 8.360 nan 0.000 0.434 518 T N 4.502 119.080 114.554 0.039 0.000 2.791 518 T HA 0.458 4.809 4.350 0.000 0.000 0.288 518 T C -0.057 174.652 174.700 0.016 0.000 0.999 518 T CA -0.480 61.641 62.100 0.035 0.000 0.952 518 T CB 0.105 68.991 68.868 0.030 0.000 0.938 518 T HN 0.303 nan 8.240 nan 0.000 0.444 519 I N 2.303 122.875 120.570 0.003 0.000 2.498 519 I HA 0.587 4.757 4.170 0.000 0.000 0.301 519 I C 0.366 176.461 176.117 -0.036 0.000 0.984 519 I CA -0.967 60.303 61.300 -0.050 0.000 1.204 519 I CB 1.557 39.464 38.000 -0.156 0.000 1.362 519 I HN 0.576 nan 8.210 nan 0.000 0.471 520 E N 5.916 126.080 120.200 -0.058 0.000 2.277 520 E HA 0.638 4.988 4.350 0.000 0.000 0.266 520 E C -1.230 175.303 176.600 -0.110 0.000 0.901 520 E CA -0.945 55.430 56.400 -0.041 0.000 0.782 520 E CB 2.806 32.476 29.700 -0.050 0.000 1.228 520 E HN 0.621 nan 8.360 nan 0.000 0.424 521 R N 2.067 122.532 120.500 -0.058 0.000 2.563 521 R HA 0.210 4.550 4.340 0.000 0.000 0.262 521 R C -1.637 174.566 176.300 -0.161 0.000 1.128 521 R CA -0.436 55.572 56.100 -0.153 0.000 0.969 521 R CB 2.151 32.283 30.300 -0.280 0.000 1.251 521 R HN 0.589 nan 8.270 nan 0.000 0.442 522 S N 0.681 116.233 115.700 -0.246 0.000 2.610 522 S HA 0.080 4.550 4.470 0.000 0.000 0.273 522 S C 1.403 175.757 174.600 -0.410 0.000 1.274 522 S CA 0.195 58.191 58.200 -0.340 0.000 1.023 522 S CB 1.639 64.689 63.200 -0.250 0.000 0.962 522 S HN 0.697 nan 8.310 nan 0.000 0.523 523 S N 2.929 118.244 115.700 -0.642 0.000 2.374 523 S HA -0.154 4.316 4.470 0.000 0.000 0.227 523 S C 1.462 175.909 174.600 -0.255 0.000 1.037 523 S CA 1.680 59.487 58.200 -0.654 0.000 1.024 523 S CB -0.466 62.357 63.200 -0.628 0.000 0.861 523 S HN 0.776 nan 8.310 nan 0.000 0.456 524 K N 0.055 120.329 120.400 -0.209 0.000 2.439 524 K HA 0.035 4.355 4.320 0.000 0.000 0.197 524 K C 0.807 177.335 176.600 -0.119 0.000 1.041 524 K CA 1.230 57.444 56.287 -0.123 0.000 0.970 524 K CB -0.098 32.339 32.500 -0.104 0.000 0.773 524 K HN 0.511 nan 8.250 nan 0.000 0.479 525 D N -0.106 120.203 120.400 -0.151 0.000 2.389 525 D HA -0.023 4.617 4.640 0.000 0.000 0.206 525 D C 0.164 176.399 176.300 -0.109 0.000 1.055 525 D CA 0.039 53.951 54.000 -0.146 0.000 0.856 525 D CB 0.426 41.102 40.800 -0.207 0.000 0.957 525 D HN -0.092 nan 8.370 nan 0.000 0.509 526 S N 0.306 115.958 115.700 -0.079 0.000 2.593 526 S HA -0.089 4.381 4.470 0.000 0.000 0.303 526 S C 1.597 176.197 174.600 -0.001 0.000 1.267 526 S CA 0.417 58.610 58.200 -0.011 0.000 1.047 526 S CB 0.472 63.675 63.200 0.004 0.000 0.777 526 S HN 0.295 nan 8.310 nan 0.000 0.498 527 S N 2.940 118.660 115.700 0.033 0.000 2.528 527 S HA -0.013 4.457 4.470 0.000 0.000 0.219 527 S C 1.300 175.932 174.600 0.052 0.000 0.985 527 S CA 0.473 58.699 58.200 0.043 0.000 0.914 527 S CB -0.216 63.014 63.200 0.050 0.000 0.776 527 S HN 1.222 nan 8.310 nan 0.000 0.526 528 V N -1.273 118.665 119.914 0.039 0.000 3.444 528 V HA 0.429 4.549 4.120 0.000 0.000 0.308 528 V C 0.089 176.172 176.094 -0.019 0.000 1.371 528 V CA -0.132 62.186 62.300 0.029 0.000 1.141 528 V CB -0.667 31.172 31.823 0.025 0.000 1.037 528 V HN 0.314 nan 8.190 nan 0.000 0.433 529 T N 0.495 115.042 114.554 -0.012 0.000 2.908 529 T HA 0.759 5.109 4.350 0.000 0.000 0.290 529 T C -0.799 173.889 174.700 -0.019 0.000 1.034 529 T CA -0.328 61.756 62.100 -0.025 0.000 1.010 529 T CB 2.397 71.257 68.868 -0.012 0.000 1.068 529 T HN 0.095 nan 8.240 nan 0.000 0.481 530 V N 4.549 124.455 119.914 -0.013 0.000 2.760 530 V HA 0.517 4.638 4.120 0.000 0.000 0.309 530 V C -2.182 173.933 176.094 0.035 0.000 1.077 530 V CA -1.912 60.394 62.300 0.010 0.000 0.910 530 V CB 2.386 34.228 31.823 0.031 0.000 1.008 530 V HN 0.725 nan 8.190 nan 0.000 0.424 531 P HA 0.264 nan 4.420 nan 0.000 0.274 531 P C -1.013 176.374 177.300 0.145 0.000 1.246 531 P CA -0.397 62.763 63.100 0.100 0.000 0.795 531 P CB 0.747 32.522 31.700 0.125 0.000 1.006 532 D N 0.643 121.129 120.400 0.142 0.000 2.368 532 D HA 0.210 4.850 4.640 0.000 0.000 0.240 532 D C 0.429 176.859 176.300 0.217 0.000 1.169 532 D CA 0.414 54.511 54.000 0.161 0.000 0.906 532 D CB -0.103 40.813 40.800 0.194 0.000 1.187 532 D HN 0.239 nan 8.370 nan 0.000 0.435 533 M N 1.099 120.820 119.600 0.202 0.000 2.409 533 M HA 0.354 4.834 4.480 0.000 0.000 0.329 533 M C -2.128 174.187 176.300 0.024 0.000 1.180 533 M CA -1.740 53.584 55.300 0.041 0.000 1.053 533 M CB 0.635 33.205 32.600 -0.050 0.000 1.586 533 M HN 0.140 nan 8.290 nan 0.000 0.461 534 P HA -0.045 nan 4.420 nan 0.000 0.267 534 P C -0.366 176.923 177.300 -0.019 0.000 1.195 534 P CA 0.011 63.029 63.100 -0.137 0.000 0.773 534 P CB 0.425 31.941 31.700 -0.306 0.000 0.837 535 S N 1.090 116.810 115.700 0.034 0.000 2.600 535 S HA 0.088 4.558 4.470 0.000 0.000 0.265 535 S C 0.945 175.623 174.600 0.130 0.000 1.325 535 S CA -0.579 57.678 58.200 0.095 0.000 1.002 535 S CB -0.116 63.129 63.200 0.074 0.000 0.921 535 S HN 0.364 nan 8.310 nan 0.000 0.554 536 F N 2.077 122.021 119.950 -0.010 0.000 2.084 536 F HA -0.013 4.514 4.527 -0.000 0.000 0.296 536 F C 2.491 178.296 175.800 0.009 0.000 1.111 536 F CA 2.294 60.289 58.000 -0.008 0.000 1.224 536 F CB -1.236 37.777 39.000 0.022 0.000 0.991 536 F HN 0.872 nan 8.300 nan 0.000 0.471 537 Q N -0.270 119.491 119.800 -0.065 0.000 2.002 537 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 537 Q C 2.526 178.453 176.000 -0.122 0.000 0.988 537 Q CA 2.692 58.389 55.803 -0.176 0.000 0.843 537 Q CB -0.605 28.096 28.738 -0.061 0.000 0.908 537 Q HN 0.431 nan 8.270 nan 0.000 0.420 538 S N -0.137 115.535 115.700 -0.046 0.000 2.372 538 S HA -0.195 4.275 4.470 0.000 0.000 0.227 538 S C 1.853 176.421 174.600 -0.052 0.000 1.044 538 S CA 1.620 59.797 58.200 -0.038 0.000 1.050 538 S CB -0.409 62.781 63.200 -0.018 0.000 0.901 538 S HN 0.494 nan 8.310 nan 0.000 0.447 539 L N 0.197 121.393 121.223 -0.045 0.000 2.362 539 L HA -0.030 4.310 4.340 0.000 0.000 0.219 539 L C 2.541 179.360 176.870 -0.085 0.000 1.134 539 L CA 0.977 55.793 54.840 -0.040 0.000 0.807 539 L CB -0.285 41.795 42.059 0.036 0.000 0.927 539 L HN 0.301 nan 8.230 nan 0.000 0.447 540 K N 0.174 120.473 120.400 -0.168 0.000 1.995 540 K HA -0.095 4.225 4.320 0.000 0.000 0.207 540 K C 1.926 178.467 176.600 -0.098 0.000 1.041 540 K CA 0.924 57.096 56.287 -0.192 0.000 0.942 540 K CB -0.100 32.214 32.500 -0.310 0.000 0.731 540 K HN 0.135 nan 8.250 nan 0.000 0.439 541 E N 1.037 121.186 120.200 -0.084 0.000 2.164 541 E HA -0.303 4.047 4.350 0.000 0.000 0.206 541 E C 2.144 178.721 176.600 -0.038 0.000 1.032 541 E CA 1.685 58.056 56.400 -0.047 0.000 0.832 541 E CB -0.025 29.651 29.700 -0.040 0.000 0.742 541 E HN 0.328 nan 8.360 nan 0.000 0.460 542 Q N -0.515 119.259 119.800 -0.044 0.000 2.137 542 Q HA -0.029 4.311 4.340 0.000 0.000 0.198 542 Q C 2.247 178.222 176.000 -0.042 0.000 0.960 542 Q CA 0.957 56.739 55.803 -0.036 0.000 0.847 542 Q CB -0.010 28.709 28.738 -0.031 0.000 0.915 542 Q HN 0.246 nan 8.270 nan 0.000 0.448 543 A N 1.401 124.187 122.820 -0.056 0.000 1.930 543 A HA -0.208 4.112 4.320 0.000 0.000 0.217 543 A C 1.368 178.918 177.584 -0.057 0.000 1.175 543 A CA 1.856 53.852 52.037 -0.069 0.000 0.627 543 A CB -0.400 18.542 19.000 -0.097 0.000 0.815 543 A HN 0.254 nan 8.150 nan 0.000 0.443 544 D N -0.324 120.052 120.400 -0.041 0.000 2.077 544 D HA -0.111 4.529 4.640 0.000 0.000 0.196 544 D C 1.785 178.079 176.300 -0.010 0.000 0.986 544 D CA 1.107 55.100 54.000 -0.012 0.000 0.829 544 D CB -0.243 40.563 40.800 0.009 0.000 0.983 544 D HN 0.376 nan 8.370 nan 0.000 0.453 545 N N -0.125 118.567 118.700 -0.014 0.000 2.417 545 N HA -0.150 4.590 4.740 0.000 0.000 0.187 545 N C 1.303 176.805 175.510 -0.014 0.000 1.027 545 N CA 0.756 53.800 53.050 -0.012 0.000 0.891 545 N CB 0.112 38.591 38.487 -0.013 0.000 0.956 545 N HN 0.127 nan 8.380 nan 0.000 0.442 546 A N -0.018 122.789 122.820 -0.021 0.000 1.997 546 A HA 0.058 4.378 4.320 0.000 0.000 0.212 546 A C 2.054 179.625 177.584 -0.022 0.000 1.178 546 A CA 0.290 52.312 52.037 -0.024 0.000 0.698 546 A CB 0.098 19.077 19.000 -0.035 0.000 0.842 546 A HN 0.111 nan 8.150 nan 0.000 0.458 547 V N 0.810 120.712 119.914 -0.019 0.000 3.461 547 V HA -0.035 4.085 4.120 0.000 0.000 0.267 547 V C 1.301 177.396 176.094 0.002 0.000 1.186 547 V CA 1.181 63.475 62.300 -0.011 0.000 1.154 547 V CB -0.838 30.980 31.823 -0.008 0.000 0.802 547 V HN 0.480 nan 8.190 nan 0.000 0.474 548 N N 1.164 119.866 118.700 0.002 0.000 2.356 548 N HA 0.116 4.856 4.740 0.000 0.000 0.178 548 N C 1.419 176.930 175.510 0.003 0.000 1.075 548 N CA 1.130 54.184 53.050 0.007 0.000 0.889 548 N CB 1.012 39.506 38.487 0.011 0.000 0.999 548 N HN 0.552 nan 8.380 nan 0.000 0.464 549 G N -0.665 108.133 108.800 -0.003 0.000 5.253 549 G HA2 0.513 4.473 3.960 0.000 0.000 0.238 549 G HA3 0.513 4.473 3.960 0.000 0.000 0.238 549 G C 0.095 174.990 174.900 -0.008 0.000 0.867 549 G CA 0.219 45.317 45.100 -0.004 0.000 0.717 549 G HN 0.458 nan 8.290 nan 0.000 0.405 554 D N 5.360 125.754 120.400 -0.010 0.000 2.408 554 D HA 0.403 5.043 4.640 0.000 0.000 0.261 554 D C -0.254 176.066 176.300 0.034 0.000 1.190 554 D CA -0.314 53.685 54.000 -0.002 0.000 0.910 554 D CB 0.911 41.704 40.800 -0.012 0.000 1.097 554 D HN 0.479 nan 8.370 nan 0.000 0.522 555 L N 1.970 123.231 121.223 0.063 0.000 2.959 555 L HA 0.298 4.638 4.340 0.000 0.000 0.259 555 L C 0.921 177.866 176.870 0.125 0.000 1.185 555 L CA -0.499 54.454 54.840 0.189 0.000 0.998 555 L CB 0.438 42.626 42.059 0.214 0.000 1.337 555 L HN 0.292 nan 8.230 nan 0.000 0.555 556 S N 1.045 116.753 115.700 0.013 0.000 2.611 556 S HA 0.336 4.806 4.470 0.000 0.000 0.317 556 S C 0.805 175.329 174.600 -0.127 0.000 1.208 556 S CA 0.794 58.967 58.200 -0.046 0.000 1.217 556 S CB 0.260 63.430 63.200 -0.051 0.000 1.085 556 S HN 0.513 nan 8.310 nan 0.000 0.529 557 A N 5.105 127.789 122.820 -0.226 0.000 1.790 557 A HA 0.198 4.518 4.320 0.000 0.000 0.174 557 A C -0.481 176.775 177.584 -0.547 0.000 2.050 557 A CA -0.274 51.451 52.037 -0.521 0.000 1.622 557 A CB -0.109 18.364 19.000 -0.879 0.000 1.619 557 A HN 0.731 nan 8.150 nan 0.000 0.280 558 Y N 2.348 122.614 120.300 -0.056 0.000 2.638 558 Y HA 0.488 5.038 4.550 0.000 0.000 0.367 558 Y C 0.777 176.640 175.900 -0.062 0.000 1.001 558 Y CA 0.053 58.122 58.100 -0.052 0.000 1.133 558 Y CB 0.280 38.723 38.460 -0.028 0.000 1.199 558 Y HN 0.512 nan 8.280 nan 0.000 0.642 559 E N -0.953 119.261 120.200 0.023 0.000 2.539 559 E HA 0.291 4.641 4.350 0.000 0.000 0.215 559 E C 0.927 177.508 176.600 -0.032 0.000 0.965 559 E CA 0.000 56.395 56.400 -0.009 0.000 1.019 559 E CB 0.582 30.259 29.700 -0.038 0.000 1.059 559 E HN 0.452 nan 8.360 nan 0.000 0.496 560 R N 0.594 121.069 120.500 -0.042 0.000 3.901 560 R HA 0.207 4.547 4.340 0.000 0.000 0.145 560 R C -0.154 176.133 176.300 -0.021 0.000 1.166 560 R CA 0.358 56.424 56.100 -0.056 0.000 1.031 560 R CB 0.255 30.507 30.300 -0.080 0.000 1.380 560 R HN -0.074 nan 8.270 nan 0.000 0.464 561 S N 0.678 116.368 115.700 -0.016 0.000 3.312 561 S HA -0.159 4.311 4.470 0.000 0.000 0.423 561 S C 0.690 175.347 174.600 0.095 0.000 0.840 561 S CA 0.105 58.325 58.200 0.033 0.000 1.357 561 S CB -1.238 62.005 63.200 0.072 0.000 0.969 561 S HN 0.517 nan 8.310 nan 0.000 0.641 562 c N 1.654 120.332 118.600 0.129 0.000 2.485 562 c HA 0.200 4.770 4.570 0.000 0.000 0.277 562 c C 2.244 176.537 174.090 0.340 0.000 1.376 562 c CA 0.292 56.778 56.329 0.261 0.000 1.759 562 c CB -1.396 41.299 42.510 0.309 0.000 1.970 562 c HN 1.034 nan 8.230 nan 0.000 0.509 563 G N 0.786 109.675 108.800 0.149 0.000 2.647 563 G HA2 0.379 4.339 3.960 0.000 0.000 0.271 563 G HA3 0.379 4.339 3.960 0.000 0.000 0.271 563 G C -0.075 174.659 174.900 -0.277 0.000 1.300 563 G CA -0.177 44.905 45.100 -0.031 0.000 0.997 563 G HN 0.590 nan 8.290 nan 0.000 0.533 564 I N -2.363 117.988 120.570 -0.365 0.000 2.793 564 I HA 0.534 4.704 4.170 0.000 0.000 0.313 564 I C -2.540 173.487 176.117 -0.151 0.000 0.998 564 I CA -2.830 58.240 61.300 -0.384 0.000 1.140 564 I CB 1.977 39.755 38.000 -0.370 0.000 1.327 564 I HN 0.124 nan 8.210 nan 0.000 0.491 565 P HA 0.037 nan 4.420 nan 0.000 0.267 565 P C -0.265 177.018 177.300 -0.028 0.000 1.205 565 P CA 0.251 63.317 63.100 -0.056 0.000 0.765 565 P CB 0.565 32.221 31.700 -0.074 0.000 0.828 566 D N 3.562 123.965 120.400 0.006 0.000 2.158 566 D HA -0.214 4.426 4.640 0.000 0.000 0.197 566 D C 1.703 178.089 176.300 0.143 0.000 0.995 566 D CA 1.468 55.511 54.000 0.071 0.000 0.846 566 D CB 0.055 40.892 40.800 0.062 0.000 0.941 566 D HN 0.358 nan 8.370 nan 0.000 0.456 567 R N -0.286 120.227 120.500 0.021 0.000 2.159 567 R HA -0.091 4.249 4.340 0.000 0.000 0.237 567 R C 1.718 178.048 176.300 0.050 0.000 1.131 567 R CA 1.143 57.233 56.100 -0.018 0.000 0.982 567 R CB -0.503 29.747 30.300 -0.083 0.000 0.868 567 R HN 0.269 nan 8.270 nan 0.000 0.453 568 M N 0.681 120.289 119.600 0.014 0.000 2.556 568 M HA 0.079 4.559 4.480 0.000 0.000 0.245 568 M C 1.719 177.991 176.300 -0.047 0.000 1.128 568 M CA 0.130 55.422 55.300 -0.014 0.000 1.069 568 M CB -0.629 31.940 32.600 -0.051 0.000 1.469 568 M HN 0.126 nan 8.290 nan 0.000 0.494 569 L N 1.514 122.713 121.223 -0.039 0.000 2.013 569 L HA -0.198 4.142 4.340 0.000 0.000 0.239 569 L C 0.600 177.341 176.870 -0.214 0.000 1.100 569 L CA 1.955 56.716 54.840 -0.133 0.000 0.826 569 L CB -0.721 41.214 42.059 -0.206 0.000 0.921 569 L HN 0.148 nan 8.230 nan 0.000 0.445 570 L N -0.035 120.994 121.223 -0.324 0.000 2.421 570 L HA 0.350 4.690 4.340 0.000 0.000 0.263 570 L C -1.933 174.709 176.870 -0.380 0.000 1.122 570 L CA -1.753 52.845 54.840 -0.403 0.000 0.804 570 L CB -0.524 41.260 42.059 -0.459 0.000 1.150 570 L HN 0.169 nan 8.230 nan 0.000 0.457 571 P HA 0.090 nan 4.420 nan 0.000 0.274 571 P C 0.093 177.157 177.300 -0.393 0.000 1.256 571 P CA -0.502 62.302 63.100 -0.492 0.000 0.795 571 P CB 0.769 31.965 31.700 -0.840 0.000 1.038 572 K N 0.514 120.727 120.400 -0.312 0.000 2.057 572 K HA -0.070 4.250 4.320 0.000 0.000 0.206 572 K C 0.726 177.083 176.600 -0.405 0.000 1.050 572 K CA 1.263 57.291 56.287 -0.432 0.000 0.935 572 K CB -0.275 31.948 32.500 -0.461 0.000 0.715 572 K HN 0.554 nan 8.250 nan 0.000 0.439 573 S N -0.716 114.842 115.700 -0.237 0.000 3.633 573 S HA -0.188 4.282 4.470 0.000 0.000 0.637 573 S C -1.182 173.335 174.600 -0.139 0.000 2.289 573 S CA 0.780 58.928 58.200 -0.086 0.000 2.476 573 S CB -0.635 62.576 63.200 0.019 0.000 0.330 573 S HN 0.447 nan 8.310 nan 0.000 1.787 574 K N 1.258 121.640 120.400 -0.030 0.000 2.208 574 K HA 0.502 4.822 4.320 0.000 0.000 0.247 574 K C -2.147 174.550 176.600 0.162 0.000 0.953 574 K CA -1.816 54.516 56.287 0.075 0.000 0.837 574 K CB 1.302 33.868 32.500 0.109 0.000 1.131 574 K HN 0.279 nan 8.250 nan 0.000 0.431 575 P HA -0.117 nan 4.420 nan 0.000 0.225 575 P C 0.128 177.512 177.300 0.140 0.000 1.156 575 P CA 1.057 64.269 63.100 0.186 0.000 0.787 575 P CB 0.270 32.072 31.700 0.171 0.000 0.802 576 E N -0.430 119.857 120.200 0.144 0.000 2.158 576 E HA 0.212 4.562 4.350 0.000 0.000 0.191 576 E C 1.023 177.667 176.600 0.074 0.000 0.982 576 E CA 0.625 57.088 56.400 0.106 0.000 0.823 576 E CB -0.398 29.383 29.700 0.135 0.000 0.766 576 E HN 0.155 nan 8.360 nan 0.000 0.468 577 G N 1.603 110.448 108.800 0.076 0.000 2.662 577 G HA2 -0.067 3.893 3.960 0.000 0.000 0.686 577 G HA3 -0.067 3.893 3.960 0.000 0.000 0.686 577 G C -0.510 174.367 174.900 -0.038 0.000 1.271 577 G CA -0.216 44.896 45.100 0.020 0.000 0.816 577 G HN 0.163 nan 8.290 nan 0.000 0.608 578 M N -1.495 118.019 119.600 -0.143 0.000 2.644 578 M HA 0.766 5.247 4.480 0.000 0.000 0.273 578 M C -0.908 175.104 176.300 -0.481 0.000 1.253 578 M CA -1.104 53.997 55.300 -0.332 0.000 0.852 578 M CB 2.234 34.556 32.600 -0.464 0.000 1.708 578 M HN 0.502 nan 8.290 nan 0.000 0.471 579 E N 1.435 121.341 120.200 -0.490 0.000 2.133 579 E HA 0.608 4.958 4.350 0.000 0.000 0.274 579 E C -1.625 174.674 176.600 -0.503 0.000 0.930 579 E CA -0.402 55.785 56.400 -0.354 0.000 0.770 579 E CB 1.585 31.196 29.700 -0.148 0.000 1.104 579 E HN 0.426 nan 8.360 nan 0.000 0.403 580 F N 1.069 121.029 119.950 0.017 0.000 2.525 580 F HA 0.344 4.872 4.527 0.000 0.000 0.346 580 F C 0.743 176.600 175.800 0.096 0.000 1.072 580 F CA -1.055 56.981 58.000 0.061 0.000 1.033 580 F CB 0.844 39.846 39.000 0.004 0.000 1.324 580 F HN 0.289 nan 8.300 nan 0.000 0.491 581 N N 1.336 120.253 118.700 0.360 0.000 2.407 581 N HA 0.335 5.075 4.740 0.000 0.000 0.277 581 N C -1.615 174.097 175.510 0.337 0.000 0.995 581 N CA -0.399 52.831 53.050 0.300 0.000 0.903 581 N CB 1.426 40.090 38.487 0.295 0.000 1.218 581 N HN 0.599 nan 8.380 nan 0.000 0.487 582 L N 3.845 125.213 121.223 0.241 0.000 2.275 582 L HA 0.445 4.785 4.340 0.000 0.000 0.288 582 L C -1.170 175.798 176.870 0.163 0.000 1.046 582 L CA -0.663 54.320 54.840 0.237 0.000 0.805 582 L CB 0.379 42.554 42.059 0.194 0.000 1.193 582 L HN 0.478 nan 8.230 nan 0.000 0.426 583 Y N 4.190 124.620 120.300 0.216 0.000 2.342 583 Y HA 0.471 5.021 4.550 0.000 0.000 0.338 583 Y C -0.320 175.687 175.900 0.179 0.000 0.965 583 Y CA -0.421 57.819 58.100 0.232 0.000 1.159 583 Y CB 1.841 40.473 38.460 0.287 0.000 1.157 583 Y HN 0.222 nan 8.280 nan 0.000 0.486 584 V N 3.994 124.023 119.914 0.192 0.000 2.378 584 V HA 0.772 4.892 4.120 0.000 0.000 0.288 584 V C -0.439 175.747 176.094 0.153 0.000 1.016 584 V CA -0.808 61.564 62.300 0.121 0.000 0.840 584 V CB 1.235 33.098 31.823 0.068 0.000 0.994 584 V HN 0.810 nan 8.190 nan 0.000 0.431 585 A N 4.383 127.293 122.820 0.150 0.000 2.330 585 A HA 0.806 5.126 4.320 0.000 0.000 0.313 585 A C -0.877 176.703 177.584 -0.006 0.000 1.124 585 A CA -0.638 51.477 52.037 0.130 0.000 0.774 585 A CB 1.900 21.032 19.000 0.220 0.000 1.198 585 A HN 1.057 nan 8.150 nan 0.000 0.465 586 V N 4.191 124.070 119.914 -0.058 0.000 2.326 586 V HA 0.660 4.780 4.120 0.000 0.000 0.281 586 V C 0.275 176.256 176.094 -0.188 0.000 1.015 586 V CA 0.446 62.597 62.300 -0.247 0.000 0.823 586 V CB 1.020 32.618 31.823 -0.375 0.000 1.009 586 V HN 1.241 nan 8.190 nan 0.000 0.436 587 T N 2.054 116.413 114.554 -0.326 0.000 2.881 587 T HA 0.346 4.696 4.350 0.000 0.000 0.278 587 T C 0.091 174.150 174.700 -1.068 0.000 0.982 587 T CA -0.512 61.300 62.100 -0.480 0.000 0.989 587 T CB 1.416 70.115 68.868 -0.282 0.000 1.058 587 T HN 0.669 nan 8.240 nan 0.000 0.529 588 D N 0.371 119.965 120.400 -1.343 0.000 2.455 588 D HA 0.185 4.825 4.640 0.000 0.000 0.234 588 D C 1.671 177.603 176.300 -0.614 0.000 1.224 588 D CA 0.233 53.340 54.000 -1.488 0.000 0.999 588 D CB -0.017 40.250 40.800 -0.888 0.000 1.072 588 D HN 0.788 nan 8.370 nan 0.000 0.514 589 G N 3.863 112.395 108.800 -0.447 0.000 2.656 589 G HA2 -0.367 3.593 3.960 0.000 0.000 0.223 589 G HA3 -0.367 3.593 3.960 0.000 0.000 0.223 589 G C 1.233 175.975 174.900 -0.263 0.000 1.130 589 G CA 0.819 45.762 45.100 -0.262 0.000 0.758 589 G HN 0.443 nan 8.290 nan 0.000 0.608 590 D N -0.540 119.756 120.400 -0.173 0.000 2.263 590 D HA 0.003 4.643 4.640 0.000 0.000 0.208 590 D C 2.196 178.400 176.300 -0.159 0.000 0.971 590 D CA 0.927 54.843 54.000 -0.139 0.000 0.867 590 D CB -0.006 40.761 40.800 -0.055 0.000 0.929 590 D HN 0.457 nan 8.370 nan 0.000 0.492 591 K N -0.242 120.051 120.400 -0.179 0.000 2.354 591 K HA -0.007 4.313 4.320 0.000 0.000 0.194 591 K C 0.689 177.176 176.600 -0.188 0.000 1.045 591 K CA 0.109 56.298 56.287 -0.163 0.000 1.026 591 K CB 0.528 32.943 32.500 -0.142 0.000 0.866 591 K HN -0.125 nan 8.250 nan 0.000 0.530 592 D N 0.603 120.864 120.400 -0.230 0.000 2.096 592 D HA -0.122 4.518 4.640 0.000 0.000 0.214 592 D C 1.043 177.224 176.300 -0.199 0.000 0.974 592 D CA 1.836 55.713 54.000 -0.205 0.000 0.890 592 D CB -0.533 40.158 40.800 -0.181 0.000 1.016 592 D HN 0.214 nan 8.370 nan 0.000 0.447 593 T N -0.553 113.796 114.554 -0.342 0.000 3.722 593 T HA -0.017 4.333 4.350 0.000 0.000 0.247 593 T C 0.737 175.241 174.700 -0.326 0.000 1.004 593 T CA -0.005 61.867 62.100 -0.380 0.000 0.947 593 T CB -0.647 67.812 68.868 -0.680 0.000 1.114 593 T HN 0.120 nan 8.240 nan 0.000 0.633 594 E N 0.449 120.485 120.200 -0.274 0.000 2.352 594 E HA 0.196 4.547 4.350 0.000 0.000 0.197 594 E C 1.266 177.660 176.600 -0.343 0.000 1.224 594 E CA 0.080 56.332 56.400 -0.247 0.000 1.118 594 E CB -0.855 28.742 29.700 -0.172 0.000 1.198 594 E HN 0.798 nan 8.360 nan 0.000 0.454 595 G N 0.095 108.559 108.800 -0.560 0.000 4.251 595 G HA2 -0.004 3.956 3.960 0.000 0.000 0.147 595 G HA3 -0.004 3.956 3.960 0.000 0.000 0.147 595 G C -0.351 174.085 174.900 -0.774 0.000 1.014 595 G CA -0.054 44.587 45.100 -0.766 0.000 0.831 595 G HN 0.426 nan 8.290 nan 0.000 0.539 607 A N 0.242 123.061 122.820 -0.003 0.000 2.508 607 A HA 0.153 4.473 4.320 0.000 0.000 0.250 607 A C 0.787 178.466 177.584 0.159 0.000 1.208 607 A CA -0.047 52.016 52.037 0.044 0.000 0.960 607 A CB 0.372 19.344 19.000 -0.048 0.000 1.099 607 A HN 0.423 nan 8.150 nan 0.000 0.542 608 Q N -1.201 118.770 119.800 0.285 0.000 2.287 608 Q HA 0.138 4.478 4.340 0.000 0.000 0.201 608 Q C 0.581 176.805 176.000 0.373 0.000 0.946 608 Q CA 0.764 56.776 55.803 0.348 0.000 0.868 608 Q CB -0.551 28.405 28.738 0.363 0.000 0.967 608 Q HN 0.430 nan 8.270 nan 0.000 0.516 609 c N 2.439 121.217 118.600 0.298 0.000 2.185 609 c HA 0.557 5.127 4.570 0.000 0.000 0.357 609 c C 1.318 175.502 174.090 0.157 0.000 1.053 609 c CA -0.786 55.664 56.329 0.201 0.000 1.552 609 c CB -0.883 41.667 42.510 0.068 0.000 1.679 609 c HN 0.557 nan 8.230 nan 0.000 0.453 610 G N 2.672 111.632 108.800 0.265 0.000 3.262 610 G HA2 0.040 4.000 3.960 0.000 0.000 0.222 610 G HA3 0.040 4.000 3.960 0.000 0.000 0.222 610 G C 1.287 176.239 174.900 0.087 0.000 1.269 610 G CA 0.310 45.545 45.100 0.224 0.000 1.032 610 G HN 0.630 nan 8.290 nan 0.000 0.502 611 V N 0.178 120.038 119.914 -0.090 0.000 2.418 611 V HA -0.261 3.860 4.120 0.000 0.000 0.258 611 V C 1.693 177.848 176.094 0.103 0.000 1.088 611 V CA 1.784 63.966 62.300 -0.196 0.000 1.091 611 V CB -0.591 31.114 31.823 -0.197 0.000 0.669 611 V HN 0.715 nan 8.190 nan 0.000 0.461 612 H N -1.544 117.446 119.070 -0.133 0.000 2.472 612 H HA 0.427 4.983 4.556 0.000 0.000 0.287 612 H C 1.541 176.665 175.328 -0.340 0.000 1.112 612 H CA 0.343 56.142 56.048 -0.415 0.000 1.021 612 H CB 0.455 29.952 29.762 -0.442 0.000 1.635 612 H HN 0.479 nan 8.280 nan 0.000 0.559 613 G N 1.659 110.619 108.800 0.267 0.000 2.195 613 G HA2 -0.256 3.705 3.960 0.000 0.000 0.224 613 G HA3 -0.256 3.705 3.960 0.000 0.000 0.224 613 G C 0.001 175.054 174.900 0.256 0.000 0.990 613 G CA -0.489 44.844 45.100 0.389 0.000 0.639 613 G HN 0.458 nan 8.290 nan 0.000 0.514 614 E N 1.282 121.588 120.200 0.177 0.000 2.383 614 E HA 0.462 4.812 4.350 0.000 0.000 0.257 614 E C 0.858 177.547 176.600 0.148 0.000 1.079 614 E CA 0.184 56.660 56.400 0.127 0.000 0.934 614 E CB 0.766 30.517 29.700 0.086 0.000 0.978 614 E HN 0.771 nan 8.360 nan 0.000 0.462 615 A N 4.383 127.254 122.820 0.086 0.000 2.537 615 A HA -0.098 4.222 4.320 0.000 0.000 0.260 615 A C -0.396 177.142 177.584 -0.076 0.000 1.082 615 A CA -0.094 51.940 52.037 -0.006 0.000 0.765 615 A CB -0.278 18.642 19.000 -0.134 0.000 1.019 615 A HN 0.626 nan 8.150 nan 0.000 0.507 616 Y N 6.261 126.508 120.300 -0.088 0.000 2.805 616 Y HA 0.059 4.609 4.550 0.000 0.000 0.331 616 Y C -1.030 174.766 175.900 -0.173 0.000 1.241 616 Y CA -0.645 57.430 58.100 -0.042 0.000 1.546 616 Y CB 0.657 39.129 38.460 0.021 0.000 1.248 616 Y HN 0.607 nan 8.280 nan 0.000 0.559 617 P HA -0.118 nan 4.420 nan 0.000 0.220 617 P C -0.049 177.269 177.300 0.031 0.000 1.152 617 P CA 0.919 63.957 63.100 -0.104 0.000 0.812 617 P CB 0.252 31.972 31.700 0.033 0.000 0.792 618 D N -0.252 120.055 120.400 -0.155 0.000 2.304 618 D HA 0.063 4.703 4.640 0.000 0.000 0.247 618 D C 0.781 177.136 176.300 0.091 0.000 1.089 618 D CA -0.200 53.817 54.000 0.028 0.000 0.910 618 D CB 0.498 41.294 40.800 -0.007 0.000 1.199 618 D HN -0.207 nan 8.370 nan 0.000 0.426 619 N N 1.726 120.469 118.700 0.070 0.000 2.348 619 N HA 0.016 4.756 4.740 0.000 0.000 0.183 619 N C 0.115 175.638 175.510 0.021 0.000 1.094 619 N CA -0.119 52.980 53.050 0.083 0.000 0.885 619 N CB 0.279 38.793 38.487 0.045 0.000 1.065 619 N HN 0.211 nan 8.380 nan 0.000 0.472 620 R N 2.083 122.533 120.500 -0.083 0.000 2.758 620 R HA 0.113 4.453 4.340 0.000 0.000 0.263 620 R C -1.737 174.574 176.300 0.020 0.000 1.010 620 R CA -1.130 54.854 56.100 -0.193 0.000 1.114 620 R CB -0.441 29.555 30.300 -0.506 0.000 0.985 620 R HN 0.174 nan 8.270 nan 0.000 0.439 621 P HA 0.041 nan 4.420 nan 0.000 0.288 621 P C -0.657 176.688 177.300 0.076 0.000 1.291 621 P CA -0.255 62.934 63.100 0.149 0.000 0.766 621 P CB 0.454 32.294 31.700 0.234 0.000 1.242 622 L N -0.626 120.587 121.223 -0.016 0.000 2.265 622 L HA 0.548 4.888 4.340 0.000 0.000 0.289 622 L C 1.254 177.788 176.870 -0.560 0.000 1.033 622 L CA 0.958 55.547 54.840 -0.418 0.000 0.814 622 L CB 0.317 41.959 42.059 -0.695 0.000 1.203 622 L HN 0.831 nan 8.230 nan 0.000 0.423 623 G N 2.077 110.544 108.800 -0.555 0.000 2.159 623 G HA2 -0.281 3.679 3.960 0.000 0.000 0.170 623 G HA3 -0.281 3.679 3.960 0.000 0.000 0.170 623 G C -0.068 174.823 174.900 -0.015 0.000 1.007 623 G CA -0.656 44.315 45.100 -0.215 0.000 0.672 623 G HN 0.447 nan 8.290 nan 0.000 0.507 624 Y N 2.470 122.770 120.300 -0.001 0.000 2.717 624 Y HA 0.394 4.944 4.550 0.000 0.000 0.330 624 Y C -1.480 174.468 175.900 0.080 0.000 1.217 624 Y CA -0.036 58.092 58.100 0.045 0.000 1.506 624 Y CB 1.140 39.621 38.460 0.035 0.000 1.268 624 Y HN 0.081 nan 8.280 nan 0.000 0.561 625 P HA 0.172 nan 4.420 nan 0.000 0.263 625 P C -0.174 176.954 177.300 -0.287 0.000 1.821 625 P CA 0.291 62.947 63.100 -0.740 0.000 1.186 625 P CB 0.064 31.092 31.700 -1.120 0.000 1.623 626 L N 0.304 121.367 121.223 -0.266 0.000 2.667 626 L HA 0.147 4.487 4.340 0.000 0.000 0.232 626 L C 1.969 178.845 176.870 0.010 0.000 1.138 626 L CA 0.241 54.958 54.840 -0.204 0.000 0.921 626 L CB -0.188 41.606 42.059 -0.442 0.000 1.180 626 L HN 0.081 nan 8.230 nan 0.000 0.487 627 E N 1.374 121.633 120.200 0.099 0.000 2.502 627 E HA -0.077 4.273 4.350 0.000 0.000 0.194 627 E C 0.663 177.373 176.600 0.184 0.000 1.062 627 E CA 0.112 56.673 56.400 0.270 0.000 0.867 627 E CB 0.374 30.250 29.700 0.295 0.000 0.888 627 E HN 0.374 nan 8.360 nan 0.000 0.510 628 R N 0.585 121.133 120.500 0.080 0.000 2.778 628 R HA 0.370 4.710 4.340 0.000 0.000 0.277 628 R C -0.228 176.036 176.300 -0.060 0.000 0.977 628 R CA -0.831 55.239 56.100 -0.051 0.000 0.950 628 R CB 1.419 31.581 30.300 -0.231 0.000 1.165 628 R HN -0.088 nan 8.270 nan 0.000 0.474 629 R N 2.452 122.885 120.500 -0.111 0.000 2.566 629 R HA -0.000 4.340 4.340 0.000 0.000 0.273 629 R C -0.204 176.062 176.300 -0.057 0.000 0.981 629 R CA 0.836 56.876 56.100 -0.099 0.000 1.091 629 R CB 0.162 30.394 30.300 -0.114 0.000 0.924 629 R HN 0.484 nan 8.270 nan 0.000 0.411 630 I N 5.672 126.219 120.570 -0.039 0.000 2.668 630 I HA 0.153 4.323 4.170 0.000 0.000 0.276 630 I C -1.739 174.371 176.117 -0.012 0.000 1.139 630 I CA -1.956 59.337 61.300 -0.012 0.000 1.133 630 I CB 1.677 39.670 38.000 -0.010 0.000 1.327 630 I HN 0.370 nan 8.210 nan 0.000 0.520 631 P HA -0.085 nan 4.420 nan 0.000 0.215 631 P C -0.205 177.099 177.300 0.007 0.000 1.157 631 P CA 1.272 64.366 63.100 -0.010 0.000 0.859 631 P CB 0.015 31.707 31.700 -0.013 0.000 0.786 632 D N -1.135 119.277 120.400 0.020 0.000 2.549 632 D HA 0.068 4.708 4.640 0.000 0.000 0.251 632 D C 0.488 176.816 176.300 0.047 0.000 1.153 632 D CA -0.863 53.157 54.000 0.033 0.000 0.861 632 D CB 1.028 41.847 40.800 0.033 0.000 1.207 632 D HN -0.014 nan 8.370 nan 0.000 0.543 633 E N 2.584 122.817 120.200 0.054 0.000 2.265 633 E HA -0.196 4.154 4.350 0.000 0.000 0.196 633 E C 1.620 178.275 176.600 0.091 0.000 0.996 633 E CA 0.518 56.963 56.400 0.075 0.000 0.832 633 E CB 0.139 29.890 29.700 0.084 0.000 0.756 633 E HN 0.439 nan 8.360 nan 0.000 0.491 634 R N -0.372 120.174 120.500 0.077 0.000 2.198 634 R HA -0.222 4.118 4.340 0.000 0.000 0.258 634 R C 1.965 178.321 176.300 0.093 0.000 1.173 634 R CA 1.899 58.046 56.100 0.079 0.000 0.991 634 R CB -0.170 30.167 30.300 0.062 0.000 0.879 634 R HN 0.136 nan 8.270 nan 0.000 0.460 635 V N -0.334 119.635 119.914 0.093 0.000 2.331 635 V HA -0.156 3.964 4.120 0.000 0.000 0.242 635 V C 2.004 178.156 176.094 0.097 0.000 1.034 635 V CA 1.314 63.677 62.300 0.104 0.000 1.027 635 V CB -0.402 31.478 31.823 0.095 0.000 0.667 635 V HN 0.159 nan 8.190 nan 0.000 0.457 636 I N 0.977 121.605 120.570 0.096 0.000 2.185 636 I HA -0.283 3.887 4.170 0.000 0.000 0.246 636 I C 2.023 178.216 176.117 0.127 0.000 1.088 636 I CA 1.659 63.023 61.300 0.107 0.000 1.347 636 I CB -0.768 37.318 38.000 0.143 0.000 1.041 636 I HN 0.289 nan 8.210 nan 0.000 0.415 637 D N 0.028 120.515 120.400 0.145 0.000 2.354 637 D HA -0.084 4.556 4.640 0.000 0.000 0.216 637 D C 1.846 178.210 176.300 0.107 0.000 0.970 637 D CA 1.333 55.415 54.000 0.137 0.000 0.905 637 D CB -0.263 40.616 40.800 0.132 0.000 0.903 637 D HN 0.446 nan 8.370 nan 0.000 0.508 638 G N -0.297 108.571 108.800 0.112 0.000 3.863 638 G HA2 0.291 4.251 3.960 0.000 0.000 0.290 638 G HA3 0.291 4.251 3.960 0.000 0.000 0.290 638 G C 0.024 175.015 174.900 0.150 0.000 1.018 638 G CA -0.095 45.091 45.100 0.142 0.000 0.824 638 G HN 0.182 nan 8.290 nan 0.000 0.507 639 V N -0.407 119.519 119.914 0.020 0.000 2.435 639 V HA 0.618 4.739 4.120 0.000 0.000 0.290 639 V C 1.294 177.392 176.094 0.007 0.000 1.030 639 V CA 0.312 62.547 62.300 -0.108 0.000 0.881 639 V CB 1.397 33.098 31.823 -0.205 0.000 0.983 639 V HN 0.233 nan 8.190 nan 0.000 0.445 640 S N 3.291 119.007 115.700 0.027 0.000 2.382 640 S HA -0.219 4.252 4.470 0.000 0.000 0.228 640 S C 1.221 175.847 174.600 0.043 0.000 1.027 640 S CA 1.542 59.766 58.200 0.041 0.000 0.991 640 S CB -1.062 62.161 63.200 0.037 0.000 0.823 640 S HN 1.044 nan 8.310 nan 0.000 0.469 641 N N 0.958 119.689 118.700 0.051 0.000 2.413 641 N HA 0.226 4.966 4.740 0.000 0.000 0.207 641 N C -0.276 175.273 175.510 0.066 0.000 1.206 641 N CA -0.078 53.017 53.050 0.075 0.000 0.832 641 N CB -0.155 38.421 38.487 0.149 0.000 1.037 641 N HN 0.437 nan 8.380 nan 0.000 0.467 642 I N 0.145 120.755 120.570 0.066 0.000 2.582 642 I HA 0.364 4.534 4.170 0.000 0.000 0.292 642 I C -0.668 175.495 176.117 0.077 0.000 1.066 642 I CA -0.908 60.452 61.300 0.099 0.000 1.053 642 I CB 2.257 40.331 38.000 0.123 0.000 1.241 642 I HN -0.101 nan 8.210 nan 0.000 0.421 643 K N 4.309 124.745 120.400 0.059 0.000 2.557 643 K HA 0.452 4.772 4.320 0.000 0.000 0.261 643 K C -1.559 174.978 176.600 -0.106 0.000 0.932 643 K CA -0.808 55.470 56.287 -0.015 0.000 0.829 643 K CB 1.688 34.189 32.500 0.002 0.000 1.358 643 K HN 0.754 nan 8.250 nan 0.000 0.430 644 H N 0.129 119.034 119.070 -0.275 0.000 2.667 644 H HA 0.810 5.366 4.556 0.000 0.000 0.353 644 H C -1.507 173.698 175.328 -0.204 0.000 1.072 644 H CA -0.921 54.843 56.048 -0.473 0.000 1.214 644 H CB 1.756 30.908 29.762 -1.016 0.000 1.600 644 H HN 0.135 nan 8.280 nan 0.000 0.527 645 V N 4.925 124.816 119.914 -0.039 0.000 2.760 645 V HA 0.451 4.571 4.120 0.000 0.000 0.309 645 V C -0.597 175.549 176.094 0.086 0.000 1.077 645 V CA -0.753 61.545 62.300 -0.003 0.000 0.910 645 V CB 2.013 33.837 31.823 0.000 0.000 1.008 645 V HN 0.966 nan 8.190 nan 0.000 0.424 646 V N 7.784 127.749 119.914 0.085 0.000 2.530 646 V HA 0.763 4.883 4.120 0.000 0.000 0.282 646 V C -0.146 175.989 176.094 0.068 0.000 1.048 646 V CA 0.463 62.822 62.300 0.099 0.000 0.997 646 V CB 1.303 33.176 31.823 0.085 0.000 0.987 646 V HN 1.082 nan 8.190 nan 0.000 0.477 647 V N 2.921 122.885 119.914 0.083 0.000 3.267 647 V HA 0.757 4.877 4.120 0.000 0.000 0.317 647 V C -0.241 175.874 176.094 0.035 0.000 1.131 647 V CA -1.023 61.309 62.300 0.053 0.000 1.031 647 V CB 1.658 33.511 31.823 0.050 0.000 1.159 647 V HN 1.169 nan 8.190 nan 0.000 0.454 648 K N 0.720 121.125 120.400 0.009 0.000 2.535 648 K HA 0.644 4.964 4.320 0.000 0.000 0.251 648 K C -1.977 174.620 176.600 -0.006 0.000 0.942 648 K CA -0.663 55.615 56.287 -0.016 0.000 0.798 648 K CB 2.164 34.644 32.500 -0.035 0.000 1.267 648 K HN 0.831 nan 8.250 nan 0.000 0.434 649 I N 4.247 124.844 120.570 0.045 0.000 2.433 649 I HA 0.395 4.566 4.170 0.000 0.000 0.292 649 I C -0.599 175.527 176.117 0.014 0.000 1.001 649 I CA -1.212 60.107 61.300 0.032 0.000 1.119 649 I CB 2.002 40.077 38.000 0.125 0.000 1.289 649 I HN 0.251 nan 8.210 nan 0.000 0.438 650 V N 4.015 123.911 119.914 -0.029 0.000 2.680 650 V HA 0.353 4.473 4.120 0.000 0.000 0.309 650 V C -0.842 175.250 176.094 -0.004 0.000 1.052 650 V CA -0.822 61.476 62.300 -0.003 0.000 0.908 650 V CB 1.849 33.667 31.823 -0.008 0.000 1.001 650 V HN 0.619 nan 8.190 nan 0.000 0.431 651 H N 2.304 121.344 119.070 -0.049 0.000 2.581 651 H HA 0.460 5.017 4.556 0.000 0.000 0.308 651 H C -0.276 175.114 175.328 0.103 0.000 1.040 651 H CA -0.462 55.561 56.048 -0.042 0.000 1.231 651 H CB 0.331 30.061 29.762 -0.053 0.000 1.396 651 H HN 0.775 nan 8.280 nan 0.000 0.467 652 H N 4.953 123.908 119.070 -0.192 0.000 2.742 652 H HA 0.092 4.648 4.556 0.000 0.000 0.302 652 H C 0.072 175.151 175.328 -0.415 0.000 1.069 652 H CA -0.704 55.222 56.048 -0.203 0.000 1.446 652 H CB 1.160 30.898 29.762 -0.040 0.000 1.462 652 H HN 0.385 nan 8.280 nan 0.000 0.499 653 L N 0.000 121.122 121.223 -0.168 0.000 2.949 653 L HA 0.000 4.340 4.340 0.000 0.000 0.249 653 L CA 0.000 54.758 54.840 -0.137 0.000 0.813 653 L CB 0.000 42.023 42.059 -0.060 0.000 0.961 653 L HN 0.000 nan 8.230 nan 0.000 0.502