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 2gfi_1_B DATA FIRST_RESID 4 DATA SEQUENCE VSKLINNGLL LVGQGAYQDL ASPQQASVEQ YNIIRFLGGA APYIQNKGFG DATA SEQUENCE ISTDIPDQcT LEQVQLFSRH GERYPSTGSG KKYKAVYEKL MSYNGTFKGE DATA SEQUENCE LAFLNDDYEY FVPDSVYLEK ETSPKNSDSI YAGTTDAMKH GIAFRTKYGE DATA SEQUENCE LFDTNDTLPV FTSNSGRVYQ TSQYFARGFM GDDFSNDTVK TNIISEDADM DATA SEQUENCE GANSLTPRDG cFNYNENANT AIVDEYTTEY LTKALNRFKA SNPGLNITED DATA SEQUENCE DVSNLFGYcA YELNVKGASP McDIFTNEEF IQYSYSVDLD DYYSNSAGNN DATA SEQUENCE MTRVIGSTLL NASLELLNHD KNENKIWLSF THDTDIEIFH SAIGILIPDE DATA SEQUENCE DLPVDYTPFP SPYSHVGITP QGARTIIEKY AcGNESYVRY VINDAVIPIK DATA SEQUENCE KCSSGPGFSC NLNDYNDYVA ERVAGTNYVE QcGNNNASAV TFYWDYETTN DATA SEQUENCE YTASLINS 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.106 176.094 0.020 0.000 1.182 4 V CA 0.000 62.319 62.300 0.031 0.000 1.235 4 V CB 0.000 31.841 31.823 0.030 0.000 1.184 5 S N 3.099 118.809 115.700 0.016 0.000 2.573 5 S HA -0.005 4.464 4.470 -0.000 0.000 0.297 5 S C 1.361 175.965 174.600 0.006 0.000 1.280 5 S CA 0.696 58.903 58.200 0.011 0.000 1.061 5 S CB 0.734 63.940 63.200 0.010 0.000 0.812 5 S HN 0.756 nan 8.310 nan 0.000 0.500 6 K N 4.684 125.087 120.400 0.005 0.000 2.574 6 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 6 K C 1.561 178.162 176.600 0.001 0.000 1.035 6 K CA 0.756 57.044 56.287 0.002 0.000 0.982 6 K CB -0.661 31.839 32.500 0.000 0.000 0.795 6 K HN 0.727 nan 8.250 nan 0.000 0.491 7 L N -0.164 121.060 121.223 0.002 0.000 2.554 7 L HA 0.288 4.628 4.340 -0.000 0.000 0.226 7 L C 0.653 177.523 176.870 -0.000 0.000 1.137 7 L CA 0.477 55.318 54.840 0.002 0.000 0.863 7 L CB -0.058 42.002 42.059 0.003 0.000 0.985 7 L HN 0.192 nan 8.230 nan 0.000 0.451 8 I N 0.395 120.963 120.570 -0.003 0.000 2.377 8 I HA 0.175 4.345 4.170 -0.000 0.000 0.293 8 I C -0.097 176.011 176.117 -0.014 0.000 0.987 8 I CA -0.550 60.744 61.300 -0.011 0.000 1.185 8 I CB 1.244 39.235 38.000 -0.015 0.000 1.341 8 I HN 0.115 nan 8.210 nan 0.000 0.455 9 N N 4.387 123.076 118.700 -0.018 0.000 2.725 9 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 9 N C 0.196 175.706 175.510 -0.000 0.000 1.031 9 N CA 0.808 53.847 53.050 -0.019 0.000 0.720 9 N CB -1.026 37.436 38.487 -0.041 0.000 0.930 9 N HN 0.795 nan 8.380 nan 0.000 0.543 10 N N -1.001 117.703 118.700 0.006 0.000 2.203 10 N HA 0.210 4.950 4.740 -0.000 0.000 0.207 10 N C 0.787 176.313 175.510 0.027 0.000 1.130 10 N CA 0.595 53.653 53.050 0.014 0.000 0.861 10 N CB 0.740 39.231 38.487 0.007 0.000 1.005 10 N HN 0.396 nan 8.380 nan 0.000 0.507 11 G N -0.415 108.401 108.800 0.027 0.000 2.731 11 G HA2 0.503 4.462 3.960 -0.000 0.000 0.309 11 G HA3 0.503 4.462 3.960 -0.000 0.000 0.309 11 G C -0.596 174.311 174.900 0.011 0.000 1.273 11 G CA -0.650 44.471 45.100 0.035 0.000 0.798 11 G HN 0.064 nan 8.290 nan 0.000 0.509 12 L N -0.291 120.930 121.223 -0.004 0.000 2.966 12 L HA 0.426 4.766 4.340 -0.000 0.000 0.262 12 L C -0.036 176.811 176.870 -0.039 0.000 1.165 12 L CA 0.151 54.958 54.840 -0.054 0.000 0.978 12 L CB 0.336 42.342 42.059 -0.089 0.000 1.337 12 L HN 0.063 nan 8.230 nan 0.000 0.563 13 L N 1.289 122.514 121.223 0.003 0.000 2.275 13 L HA 0.285 4.625 4.340 -0.000 0.000 0.288 13 L C 0.182 177.072 176.870 0.034 0.000 1.046 13 L CA -0.317 54.547 54.840 0.039 0.000 0.805 13 L CB 1.680 43.771 42.059 0.054 0.000 1.193 13 L HN 0.124 nan 8.230 nan 0.000 0.426 14 L N 5.138 126.415 121.223 0.089 0.000 2.998 14 L HA 0.319 4.659 4.340 -0.000 0.000 0.234 14 L C -0.249 176.552 176.870 -0.115 0.000 1.350 14 L CA 0.019 54.901 54.840 0.072 0.000 1.202 14 L CB 0.223 42.399 42.059 0.194 0.000 1.583 14 L HN 0.366 nan 8.230 nan 0.000 0.456 15 V N -1.197 118.586 119.914 -0.219 0.000 3.120 15 V HA 0.826 4.945 4.120 -0.000 0.000 0.303 15 V C 0.019 176.002 176.094 -0.185 0.000 1.238 15 V CA -0.365 61.676 62.300 -0.431 0.000 1.008 15 V CB 2.274 33.516 31.823 -0.969 0.000 1.064 15 V HN 0.256 nan 8.190 nan 0.000 0.434 16 G N 1.713 110.422 108.800 -0.152 0.000 2.828 16 G HA2 0.404 4.363 3.960 -0.000 0.000 0.244 16 G HA3 0.404 4.363 3.960 -0.000 0.000 0.244 16 G C -0.030 174.876 174.900 0.010 0.000 1.365 16 G CA -0.110 44.963 45.100 -0.045 0.000 1.041 16 G HN 0.606 nan 8.290 nan 0.000 0.560 17 Q N -0.085 119.762 119.800 0.078 0.000 2.437 17 Q HA -0.017 4.323 4.340 -0.000 0.000 0.210 17 Q C 2.414 178.508 176.000 0.156 0.000 0.972 17 Q CA 0.958 56.883 55.803 0.204 0.000 0.903 17 Q CB -0.643 28.172 28.738 0.129 0.000 0.967 17 Q HN 0.616 nan 8.270 nan 0.000 0.486 18 G N 1.057 109.874 108.800 0.028 0.000 2.485 18 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.221 18 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.221 18 G C 1.499 176.360 174.900 -0.065 0.000 1.115 18 G CA 0.976 46.069 45.100 -0.012 0.000 0.751 18 G HN 0.463 nan 8.290 nan 0.000 0.567 19 A N -0.290 122.422 122.820 -0.179 0.000 2.070 19 A HA 0.082 4.402 4.320 -0.000 0.000 0.220 19 A C 1.920 179.271 177.584 -0.388 0.000 1.159 19 A CA 1.150 52.977 52.037 -0.351 0.000 0.656 19 A CB -0.364 18.293 19.000 -0.571 0.000 0.800 19 A HN 0.463 nan 8.150 nan 0.000 0.453 20 Y N -0.144 120.157 120.300 0.001 0.000 2.458 20 Y HA 0.055 4.605 4.550 -0.000 0.000 0.256 20 Y C 2.392 178.293 175.900 0.003 0.000 1.159 20 Y CA 0.416 58.518 58.100 0.005 0.000 1.261 20 Y CB -0.104 38.357 38.460 0.001 0.000 1.119 20 Y HN 0.621 nan 8.280 nan 0.000 0.524 21 Q N 0.767 120.633 119.800 0.109 0.000 2.291 21 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 21 Q C -0.044 175.989 176.000 0.055 0.000 0.970 21 Q CA 1.763 57.613 55.803 0.078 0.000 0.876 21 Q CB -0.295 28.470 28.738 0.045 0.000 0.935 21 Q HN 0.442 nan 8.270 nan 0.000 0.455 22 D N 0.094 120.522 120.400 0.046 0.000 2.623 22 D HA 0.237 4.876 4.640 -0.000 0.000 0.252 22 D C -0.151 176.172 176.300 0.039 0.000 1.294 22 D CA -0.300 53.720 54.000 0.034 0.000 0.824 22 D CB -0.078 40.733 40.800 0.019 0.000 1.070 22 D HN 0.185 nan 8.370 nan 0.000 0.487 23 L N -0.144 121.116 121.223 0.061 0.000 2.352 23 L HA 0.712 5.052 4.340 -0.000 0.000 0.269 23 L C 1.319 178.224 176.870 0.057 0.000 1.034 23 L CA -0.922 53.957 54.840 0.065 0.000 0.806 23 L CB 1.742 43.864 42.059 0.106 0.000 1.244 23 L HN -0.003 nan 8.230 nan 0.000 0.447 24 A N 0.528 123.375 122.820 0.046 0.000 1.911 24 A HA 0.064 4.384 4.320 -0.000 0.000 0.212 24 A C 1.009 178.614 177.584 0.036 0.000 1.189 24 A CA 0.678 52.735 52.037 0.034 0.000 0.639 24 A CB 0.129 19.144 19.000 0.025 0.000 0.839 24 A HN 0.561 nan 8.150 nan 0.000 0.449 25 S N -1.120 114.609 115.700 0.049 0.000 2.513 25 S HA 0.524 4.994 4.470 -0.000 0.000 0.299 25 S C -2.235 172.423 174.600 0.096 0.000 1.087 25 S CA -1.608 56.621 58.200 0.049 0.000 1.012 25 S CB 1.729 64.952 63.200 0.038 0.000 1.044 25 S HN 0.051 nan 8.310 nan 0.000 0.485 26 P HA -0.079 nan 4.420 nan 0.000 0.225 26 P C 0.633 178.067 177.300 0.224 0.000 1.148 26 P CA 0.980 64.198 63.100 0.198 0.000 0.779 26 P CB 0.031 31.690 31.700 -0.068 0.000 0.780 27 Q N -0.473 119.395 119.800 0.113 0.000 2.515 27 Q HA -0.044 4.296 4.340 -0.000 0.000 0.212 27 Q C 1.906 177.951 176.000 0.076 0.000 0.970 27 Q CA 0.591 56.446 55.803 0.087 0.000 0.941 27 Q CB -0.282 28.486 28.738 0.049 0.000 0.998 27 Q HN 0.487 nan 8.270 nan 0.000 0.518 28 Q N -0.109 119.742 119.800 0.084 0.000 2.432 28 Q HA 0.126 4.466 4.340 -0.000 0.000 0.205 28 Q C 0.160 176.185 176.000 0.041 0.000 0.945 28 Q CA 0.009 55.846 55.803 0.055 0.000 0.924 28 Q CB 0.427 29.196 28.738 0.051 0.000 1.016 28 Q HN 0.196 nan 8.270 nan 0.000 0.503 29 A N 0.760 123.615 122.820 0.058 0.000 2.327 29 A HA 0.385 4.705 4.320 -0.000 0.000 0.283 29 A C -0.201 177.377 177.584 -0.009 0.000 1.127 29 A CA -0.355 51.664 52.037 -0.030 0.000 0.810 29 A CB 0.852 19.728 19.000 -0.206 0.000 1.066 29 A HN 0.045 nan 8.150 nan 0.000 0.492 30 S N 1.321 117.005 115.700 -0.027 0.000 2.488 30 S HA 0.362 4.832 4.470 -0.000 0.000 0.310 30 S C 0.796 175.413 174.600 0.028 0.000 1.093 30 S CA -0.149 58.044 58.200 -0.011 0.000 1.129 30 S CB 0.795 63.976 63.200 -0.031 0.000 0.989 30 S HN 1.230 nan 8.310 nan 0.000 0.479 31 V N 0.477 120.424 119.914 0.056 0.000 3.605 31 V HA 0.264 4.383 4.120 -0.000 0.000 0.284 31 V C 1.343 177.527 176.094 0.150 0.000 1.386 31 V CA 0.177 62.590 62.300 0.188 0.000 1.053 31 V CB -0.345 31.551 31.823 0.123 0.000 0.857 31 V HN 0.588 nan 8.190 nan 0.000 0.436 32 E N 1.951 122.162 120.200 0.018 0.000 2.153 32 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 32 E C 2.190 178.723 176.600 -0.113 0.000 0.988 32 E CA 1.707 58.080 56.400 -0.045 0.000 0.811 32 E CB -0.180 29.474 29.700 -0.076 0.000 0.746 32 E HN 0.939 nan 8.360 nan 0.000 0.466 33 Q N -0.192 119.501 119.800 -0.178 0.000 2.248 33 Q HA -0.209 4.130 4.340 -0.000 0.000 0.208 33 Q C 0.913 176.776 176.000 -0.228 0.000 0.984 33 Q CA 1.492 57.134 55.803 -0.269 0.000 0.875 33 Q CB -0.374 28.123 28.738 -0.401 0.000 0.910 33 Q HN 0.396 nan 8.270 nan 0.000 0.433 34 Y N 0.682 121.004 120.300 0.037 0.000 2.457 34 Y HA 0.198 4.748 4.550 -0.000 0.000 0.263 34 Y C 0.475 176.393 175.900 0.030 0.000 1.164 34 Y CA -0.889 57.285 58.100 0.124 0.000 1.274 34 Y CB 0.116 38.618 38.460 0.069 0.000 1.097 34 Y HN 0.172 nan 8.280 nan 0.000 0.523 35 N N 2.020 120.706 118.700 -0.023 0.000 2.434 35 N HA -0.087 4.653 4.740 -0.000 0.000 0.268 35 N C 1.466 176.789 175.510 -0.312 0.000 1.256 35 N CA 0.288 53.248 53.050 -0.150 0.000 0.914 35 N CB 0.404 38.768 38.487 -0.205 0.000 1.088 35 N HN 0.434 nan 8.380 nan 0.000 0.478 36 I N 5.048 125.501 120.570 -0.196 0.000 2.248 36 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 36 I C 1.796 177.714 176.117 -0.331 0.000 1.107 36 I CA 1.195 62.341 61.300 -0.256 0.000 1.373 36 I CB 0.134 37.957 38.000 -0.296 0.000 1.055 36 I HN 0.635 nan 8.210 nan 0.000 0.418 37 I N 0.374 120.750 120.570 -0.323 0.000 2.248 37 I HA -0.356 3.814 4.170 -0.000 0.000 0.248 37 I C 2.488 178.404 176.117 -0.335 0.000 1.107 37 I CA 1.400 62.522 61.300 -0.296 0.000 1.373 37 I CB -0.518 37.300 38.000 -0.302 0.000 1.055 37 I HN 0.214 nan 8.210 nan 0.000 0.418 38 R N -0.144 120.027 120.500 -0.549 0.000 2.237 38 R HA -0.110 4.230 4.340 -0.000 0.000 0.219 38 R C 1.424 177.416 176.300 -0.514 0.000 1.080 38 R CA 1.055 56.793 56.100 -0.603 0.000 0.995 38 R CB -0.014 29.811 30.300 -0.793 0.000 0.875 38 R HN 0.280 nan 8.270 nan 0.000 0.462 39 F N -0.966 118.958 119.950 -0.043 0.000 2.721 39 F HA 0.163 4.690 4.527 -0.000 0.000 0.301 39 F C 1.230 177.154 175.800 0.208 0.000 1.096 39 F CA 0.042 58.083 58.000 0.068 0.000 1.308 39 F CB 0.208 39.260 39.000 0.087 0.000 1.086 39 F HN -0.114 nan 8.300 nan 0.000 0.587 40 L N -0.349 121.017 121.223 0.239 0.000 2.653 40 L HA 0.339 4.679 4.340 -0.000 0.000 0.231 40 L C 1.506 178.548 176.870 0.286 0.000 1.153 40 L CA 0.302 55.327 54.840 0.308 0.000 0.933 40 L CB -0.524 41.612 42.059 0.129 0.000 1.175 40 L HN 0.334 nan 8.230 nan 0.000 0.473 41 G N 0.163 109.089 108.800 0.210 0.000 2.160 41 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 41 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 41 G C 0.956 176.032 174.900 0.294 0.000 1.008 41 G CA 0.282 45.499 45.100 0.195 0.000 0.724 41 G HN 0.674 nan 8.290 nan 0.000 0.514 42 G N -1.858 107.048 108.800 0.177 0.000 2.176 42 G HA2 0.104 4.064 3.960 -0.000 0.000 0.253 42 G HA3 0.104 4.064 3.960 -0.000 0.000 0.253 42 G C 1.410 176.382 174.900 0.119 0.000 0.979 42 G CA 1.245 46.424 45.100 0.132 0.000 0.641 42 G HN 2.046 nan 8.290 nan 0.000 0.530 43 A N -0.110 122.763 122.820 0.088 0.000 1.975 43 A HA 0.752 5.071 4.320 -0.000 0.000 0.215 43 A C 1.951 179.375 177.584 -0.266 0.000 1.170 43 A CA 1.865 53.871 52.037 -0.050 0.000 0.656 43 A CB -0.357 18.608 19.000 -0.057 0.000 0.821 43 A HN 2.016 nan 8.150 nan 0.000 0.449 44 A N 0.055 122.756 122.820 -0.198 0.000 2.251 44 A HA 0.578 4.898 4.320 -0.000 0.000 0.278 44 A C -2.346 175.121 177.584 -0.195 0.000 1.206 44 A CA -1.348 50.537 52.037 -0.253 0.000 0.822 44 A CB -0.573 18.289 19.000 -0.231 0.000 1.187 44 A HN 0.230 nan 8.150 nan 0.000 0.504 45 P HA 0.074 nan 4.420 nan 0.000 0.271 45 P C -0.554 176.700 177.300 -0.075 0.000 1.244 45 P CA 0.040 63.043 63.100 -0.162 0.000 0.793 45 P CB 0.100 31.563 31.700 -0.395 0.000 0.984 46 Y N 1.620 121.876 120.300 -0.074 0.000 2.805 46 Y HA 0.181 4.731 4.550 -0.000 0.000 0.337 46 Y C 0.019 175.864 175.900 -0.093 0.000 1.252 46 Y CA 0.523 58.583 58.100 -0.066 0.000 1.515 46 Y CB -0.152 38.294 38.460 -0.023 0.000 1.305 46 Y HN 0.202 nan 8.280 nan 0.000 0.600 47 I N 5.513 125.517 120.570 -0.942 0.000 2.722 47 I HA 0.243 4.413 4.170 -0.000 0.000 0.295 47 I C -1.192 174.280 176.117 -1.075 0.000 1.161 47 I CA -0.817 59.990 61.300 -0.823 0.000 1.032 47 I CB 1.799 39.526 38.000 -0.454 0.000 1.244 47 I HN 0.661 nan 8.210 nan 0.000 0.421 48 Q N 4.699 124.065 119.800 -0.723 0.000 2.392 48 Q HA 0.128 4.468 4.340 -0.000 0.000 0.262 48 Q C -0.063 175.746 176.000 -0.318 0.000 1.003 48 Q CA -0.167 55.383 55.803 -0.421 0.000 0.888 48 Q CB 0.414 29.048 28.738 -0.173 0.000 1.260 48 Q HN 0.483 nan 8.270 nan 0.000 0.435 49 N N 1.625 120.185 118.700 -0.233 0.000 2.407 49 N HA -0.092 4.648 4.740 -0.000 0.000 0.250 49 N C 0.450 175.812 175.510 -0.247 0.000 1.236 49 N CA 0.464 53.372 53.050 -0.237 0.000 0.879 49 N CB 0.710 39.082 38.487 -0.191 0.000 1.088 49 N HN 0.504 nan 8.380 nan 0.000 0.450 50 K N 2.424 122.656 120.400 -0.280 0.000 2.089 50 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 50 K C 1.132 177.535 176.600 -0.328 0.000 1.048 50 K CA 1.267 57.387 56.287 -0.277 0.000 0.926 50 K CB -0.586 31.749 32.500 -0.275 0.000 0.714 50 K HN 0.896 nan 8.250 nan 0.000 0.448 51 G N -0.438 108.058 108.800 -0.508 0.000 2.796 51 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.226 51 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.226 51 G C -0.055 174.408 174.900 -0.728 0.000 1.381 51 G CA -0.172 44.574 45.100 -0.591 0.000 0.867 51 G HN 0.211 nan 8.290 nan 0.000 0.552 52 F N 0.658 120.578 119.950 -0.049 0.000 2.798 52 F HA 0.482 5.009 4.527 -0.000 0.000 0.328 52 F C 1.926 177.694 175.800 -0.054 0.000 1.098 52 F CA 0.777 58.735 58.000 -0.070 0.000 1.172 52 F CB 0.869 39.800 39.000 -0.116 0.000 1.072 52 F HN 1.907 nan 8.300 nan 0.000 0.555 53 G N 1.074 109.924 108.800 0.083 0.000 2.175 53 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 53 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 53 G C 0.228 175.186 174.900 0.098 0.000 0.982 53 G CA -0.255 44.886 45.100 0.069 0.000 0.641 53 G HN 0.244 nan 8.290 nan 0.000 0.527 54 I N 2.137 122.787 120.570 0.135 0.000 2.496 54 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 54 I C 1.303 177.502 176.117 0.137 0.000 1.080 54 I CA 0.110 61.521 61.300 0.186 0.000 1.404 54 I CB 1.406 39.554 38.000 0.246 0.000 1.403 54 I HN 0.208 nan 8.210 nan 0.000 0.539 55 S N 3.747 119.518 115.700 0.119 0.000 2.549 55 S HA 0.026 4.496 4.470 -0.000 0.000 0.283 55 S C 1.329 175.971 174.600 0.070 0.000 1.320 55 S CA -0.167 58.074 58.200 0.068 0.000 1.058 55 S CB 0.629 63.850 63.200 0.035 0.000 0.882 55 S HN 0.794 nan 8.310 nan 0.000 0.498 56 T N 1.195 115.780 114.554 0.052 0.000 3.100 56 T HA 0.112 4.462 4.350 -0.000 0.000 0.253 56 T C 0.091 174.799 174.700 0.014 0.000 1.118 56 T CA -0.195 61.942 62.100 0.062 0.000 1.058 56 T CB -0.341 68.569 68.868 0.070 0.000 0.953 56 T HN 0.572 nan 8.240 nan 0.000 0.515 57 D N 2.120 122.504 120.400 -0.027 0.000 2.423 57 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 57 D C 0.579 176.810 176.300 -0.117 0.000 1.142 57 D CA -0.476 53.474 54.000 -0.083 0.000 0.884 57 D CB 0.517 41.266 40.800 -0.085 0.000 1.199 57 D HN 0.140 nan 8.370 nan 0.000 0.438 58 I N 2.544 123.008 120.570 -0.177 0.000 2.683 58 I HA 0.029 4.199 4.170 -0.000 0.000 0.286 58 I C -1.813 174.106 176.117 -0.330 0.000 1.175 58 I CA -1.692 59.408 61.300 -0.332 0.000 1.429 58 I CB -0.835 36.993 38.000 -0.288 0.000 1.371 58 I HN 0.028 nan 8.210 nan 0.000 0.569 59 P HA 0.030 nan 4.420 nan 0.000 0.267 59 P C -0.504 176.654 177.300 -0.236 0.000 1.200 59 P CA -0.196 62.729 63.100 -0.291 0.000 0.772 59 P CB 0.388 31.901 31.700 -0.312 0.000 0.855 60 D N 2.544 122.850 120.400 -0.157 0.000 2.506 60 D HA -0.091 4.549 4.640 -0.000 0.000 0.234 60 D C 1.163 177.397 176.300 -0.111 0.000 1.143 60 D CA 0.831 54.761 54.000 -0.116 0.000 0.871 60 D CB 0.157 40.905 40.800 -0.087 0.000 1.190 60 D HN 0.473 nan 8.370 nan 0.000 0.459 61 Q N -0.633 119.117 119.800 -0.082 0.000 2.374 61 Q HA -0.210 4.130 4.340 -0.000 0.000 0.218 61 Q C -1.074 174.898 176.000 -0.048 0.000 0.691 61 Q CA 0.726 56.497 55.803 -0.054 0.000 1.340 61 Q CB -1.382 27.329 28.738 -0.046 0.000 1.498 61 Q HN 0.617 nan 8.270 nan 0.000 0.739 62 c N 1.048 119.590 118.600 -0.097 0.000 2.435 62 c HA 0.793 5.363 4.570 -0.000 0.000 0.333 62 c C 0.661 174.722 174.090 -0.049 0.000 1.202 62 c CA 0.156 56.441 56.329 -0.074 0.000 1.830 62 c CB 1.498 43.853 42.510 -0.259 0.000 2.326 62 c HN 0.463 nan 8.230 nan 0.000 0.507 63 T N 0.740 115.331 114.554 0.063 0.000 2.841 63 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 63 T C -0.599 174.199 174.700 0.163 0.000 0.991 63 T CA -0.652 61.490 62.100 0.071 0.000 0.966 63 T CB 0.871 69.776 68.868 0.062 0.000 0.962 63 T HN 0.366 nan 8.240 nan 0.000 0.438 64 L N 3.042 124.354 121.223 0.149 0.000 2.640 64 L HA 0.155 4.495 4.340 -0.000 0.000 0.280 64 L C 1.115 178.094 176.870 0.181 0.000 1.229 64 L CA 0.765 55.733 54.840 0.213 0.000 0.919 64 L CB -0.377 41.788 42.059 0.177 0.000 1.168 64 L HN 0.917 nan 8.230 nan 0.000 0.496 65 E N 2.305 122.617 120.200 0.187 0.000 2.332 65 E HA 0.138 4.487 4.350 -0.000 0.000 0.202 65 E C -0.043 176.640 176.600 0.139 0.000 0.877 65 E CA 0.071 56.557 56.400 0.142 0.000 0.979 65 E CB 0.743 30.516 29.700 0.121 0.000 0.969 65 E HN 0.671 nan 8.360 nan 0.000 0.495 66 Q N 0.430 120.312 119.800 0.136 0.000 2.479 66 Q HA 0.409 4.748 4.340 -0.000 0.000 0.276 66 Q C -2.247 173.797 176.000 0.074 0.000 0.989 66 Q CA -0.418 55.463 55.803 0.131 0.000 0.864 66 Q CB 2.726 31.561 28.738 0.162 0.000 1.444 66 Q HN 0.012 nan 8.270 nan 0.000 0.388 67 V N 2.675 122.608 119.914 0.031 0.000 2.841 67 V HA 0.539 4.658 4.120 -0.000 0.000 0.310 67 V C -1.765 174.346 176.094 0.028 0.000 1.090 67 V CA -0.225 62.016 62.300 -0.099 0.000 0.930 67 V CB 2.406 33.900 31.823 -0.548 0.000 1.014 67 V HN 0.856 nan 8.190 nan 0.000 0.425 68 Q N 4.750 124.553 119.800 0.004 0.000 2.327 68 Q HA 0.520 4.860 4.340 -0.000 0.000 0.270 68 Q C -1.365 174.563 176.000 -0.120 0.000 1.022 68 Q CA -0.636 55.141 55.803 -0.044 0.000 0.773 68 Q CB 2.552 31.308 28.738 0.030 0.000 1.251 68 Q HN 0.627 nan 8.270 nan 0.000 0.457 69 L N 3.008 124.028 121.223 -0.337 0.000 2.282 69 L HA 0.537 4.877 4.340 -0.000 0.000 0.288 69 L C -1.671 174.739 176.870 -0.767 0.000 1.033 69 L CA -0.028 54.566 54.840 -0.410 0.000 0.807 69 L CB 0.440 42.095 42.059 -0.673 0.000 1.209 69 L HN 0.432 nan 8.230 nan 0.000 0.423 70 F N 3.968 123.862 119.950 -0.094 0.000 2.403 70 F HA 0.519 5.046 4.527 -0.000 0.000 0.355 70 F C 0.392 176.123 175.800 -0.115 0.000 1.119 70 F CA -0.368 57.590 58.000 -0.071 0.000 1.007 70 F CB 1.737 40.865 39.000 0.213 0.000 1.194 70 F HN 0.515 nan 8.300 nan 0.000 0.443 71 S N 4.067 119.634 115.700 -0.222 0.000 2.500 71 S HA 0.550 5.020 4.470 -0.000 0.000 0.301 71 S C -0.324 174.271 174.600 -0.007 0.000 1.092 71 S CA -0.792 57.309 58.200 -0.166 0.000 1.030 71 S CB 1.077 63.996 63.200 -0.468 0.000 1.031 71 S HN 0.746 nan 8.310 nan 0.000 0.483 72 R N 2.135 122.654 120.500 0.031 0.000 2.707 72 R HA 0.243 4.583 4.340 -0.000 0.000 0.270 72 R C 0.125 176.428 176.300 0.005 0.000 1.083 72 R CA -0.221 55.853 56.100 -0.043 0.000 1.182 72 R CB 0.183 30.397 30.300 -0.144 0.000 1.084 72 R HN 0.919 nan 8.270 nan 0.000 0.528 73 H N -0.194 118.956 119.070 0.133 0.000 2.895 73 H HA 0.227 4.782 4.556 -0.000 0.000 0.371 73 H C 0.582 175.990 175.328 0.132 0.000 1.219 73 H CA -0.073 56.050 56.048 0.125 0.000 1.431 73 H CB 0.121 29.935 29.762 0.087 0.000 1.414 73 H HN 0.712 nan 8.280 nan 0.000 0.617 74 G N 0.184 109.140 108.800 0.261 0.000 2.553 74 G HA2 0.207 4.167 3.960 -0.000 0.000 0.278 74 G HA3 0.207 4.167 3.960 -0.000 0.000 0.278 74 G C -0.588 174.486 174.900 0.291 0.000 1.349 74 G CA -0.877 44.339 45.100 0.194 0.000 1.037 74 G HN 0.766 nan 8.290 nan 0.000 0.508 75 E N -0.493 119.822 120.200 0.190 0.000 2.467 75 E HA 0.291 4.641 4.350 -0.000 0.000 0.264 75 E C 0.720 177.444 176.600 0.206 0.000 1.020 75 E CA 0.797 57.310 56.400 0.188 0.000 0.945 75 E CB 0.367 30.134 29.700 0.112 0.000 0.942 75 E HN 0.582 nan 8.360 nan 0.000 0.449 76 R N 0.819 121.476 120.500 0.261 0.000 2.799 76 R HA 0.440 4.780 4.340 -0.000 0.000 0.270 76 R C -0.944 175.533 176.300 0.296 0.000 1.010 76 R CA -0.974 55.281 56.100 0.258 0.000 0.916 76 R CB 0.521 30.961 30.300 0.232 0.000 1.228 76 R HN 0.364 nan 8.270 nan 0.000 0.469 77 Y N 0.747 121.167 120.300 0.200 0.000 2.459 77 Y HA 0.129 4.679 4.550 -0.000 0.000 0.349 77 Y C -1.678 174.234 175.900 0.021 0.000 1.266 77 Y CA -1.044 57.168 58.100 0.186 0.000 1.483 77 Y CB 0.184 38.716 38.460 0.121 0.000 1.362 77 Y HN 0.437 nan 8.280 nan 0.000 0.628 78 P HA -0.025 nan 4.420 nan 0.000 0.270 78 P C -0.697 176.530 177.300 -0.123 0.000 1.227 78 P CA -0.129 62.724 63.100 -0.412 0.000 0.788 78 P CB 0.416 32.069 31.700 -0.078 0.000 0.926 79 S N -0.251 115.364 115.700 -0.141 0.000 2.617 79 S HA 0.083 4.553 4.470 -0.000 0.000 0.259 79 S C 1.292 175.859 174.600 -0.054 0.000 1.301 79 S CA 0.080 58.252 58.200 -0.046 0.000 0.984 79 S CB -0.546 62.644 63.200 -0.017 0.000 0.954 79 S HN 0.432 nan 8.310 nan 0.000 0.572 80 T N 1.261 115.796 114.554 -0.032 0.000 2.684 80 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 80 T C 2.038 176.702 174.700 -0.059 0.000 1.036 80 T CA 1.809 63.886 62.100 -0.038 0.000 1.148 80 T CB -1.262 67.591 68.868 -0.025 0.000 0.863 80 T HN 0.838 nan 8.240 nan 0.000 0.436 81 G N 0.871 109.636 108.800 -0.058 0.000 2.433 81 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.216 81 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.216 81 G C 1.934 176.749 174.900 -0.142 0.000 1.186 81 G CA 1.133 46.191 45.100 -0.070 0.000 0.779 81 G HN 0.495 nan 8.290 nan 0.000 0.543 82 S N 0.739 116.313 115.700 -0.209 0.000 2.368 82 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 82 S C 2.543 176.735 174.600 -0.679 0.000 1.030 82 S CA 1.218 59.117 58.200 -0.501 0.000 0.999 82 S CB -0.729 62.215 63.200 -0.427 0.000 0.844 82 S HN 0.554 nan 8.310 nan 0.000 0.459 83 G N 1.769 110.398 108.800 -0.284 0.000 2.469 83 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 83 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 83 G C 1.321 176.186 174.900 -0.058 0.000 1.150 83 G CA 1.318 46.379 45.100 -0.065 0.000 0.763 83 G HN 0.480 nan 8.290 nan 0.000 0.561 84 K N 0.405 120.744 120.400 -0.100 0.000 2.026 84 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 84 K C 2.540 179.105 176.600 -0.058 0.000 1.048 84 K CA 1.494 57.737 56.287 -0.073 0.000 0.929 84 K CB -0.202 32.263 32.500 -0.058 0.000 0.713 84 K HN 0.222 nan 8.250 nan 0.000 0.439 85 K N -0.593 119.745 120.400 -0.104 0.000 2.063 85 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 85 K C 2.152 178.849 176.600 0.162 0.000 1.048 85 K CA 1.791 58.062 56.287 -0.026 0.000 0.928 85 K CB -0.173 32.259 32.500 -0.113 0.000 0.713 85 K HN 0.199 nan 8.250 nan 0.000 0.442 86 Y N 0.796 121.227 120.300 0.219 0.000 2.243 86 Y HA -0.044 4.506 4.550 -0.000 0.000 0.293 86 Y C 2.182 178.223 175.900 0.236 0.000 1.124 86 Y CA 0.511 58.847 58.100 0.393 0.000 1.159 86 Y CB -0.514 38.160 38.460 0.355 0.000 1.008 86 Y HN -0.038 nan 8.280 nan 0.000 0.527 87 K N 0.345 120.716 120.400 -0.048 0.000 2.057 87 K HA -0.163 4.156 4.320 -0.000 0.000 0.207 87 K C 2.256 178.802 176.600 -0.091 0.000 1.049 87 K CA 1.175 57.114 56.287 -0.579 0.000 0.931 87 K CB -0.197 31.922 32.500 -0.635 0.000 0.714 87 K HN 0.237 nan 8.250 nan 0.000 0.440 88 A N 0.543 123.379 122.820 0.027 0.000 1.877 88 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 88 A C 2.204 179.871 177.584 0.138 0.000 1.186 88 A CA 1.650 53.732 52.037 0.075 0.000 0.620 88 A CB -0.802 18.238 19.000 0.066 0.000 0.822 88 A HN 0.242 nan 8.150 nan 0.000 0.443 89 V N -1.290 118.758 119.914 0.224 0.000 2.427 89 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 89 V C 2.209 178.430 176.094 0.213 0.000 1.051 89 V CA 2.308 64.741 62.300 0.221 0.000 1.048 89 V CB -0.682 31.306 31.823 0.275 0.000 0.666 89 V HN 0.699 nan 8.190 nan 0.000 0.456 90 Y N 1.213 121.634 120.300 0.200 0.000 2.128 90 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 90 Y C 2.496 178.460 175.900 0.107 0.000 1.154 90 Y CA 2.341 60.556 58.100 0.192 0.000 1.149 90 Y CB -0.117 38.515 38.460 0.286 0.000 0.976 90 Y HN 0.321 nan 8.280 nan 0.000 0.505 91 E N 0.653 120.931 120.200 0.129 0.000 2.077 91 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 91 E C 2.118 178.714 176.600 -0.006 0.000 0.989 91 E CA 1.298 57.712 56.400 0.025 0.000 0.800 91 E CB -0.358 29.390 29.700 0.080 0.000 0.746 91 E HN 0.497 nan 8.360 nan 0.000 0.452 92 K N 0.709 121.130 120.400 0.035 0.000 2.002 92 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 92 K C 2.368 178.997 176.600 0.049 0.000 1.048 92 K CA 0.895 57.210 56.287 0.047 0.000 0.930 92 K CB -0.175 32.364 32.500 0.064 0.000 0.714 92 K HN 0.003 nan 8.250 nan 0.000 0.438 93 L N 0.287 121.512 121.223 0.004 0.000 1.990 93 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 93 L C 2.510 179.454 176.870 0.124 0.000 1.072 93 L CA 1.086 55.933 54.840 0.011 0.000 0.755 93 L CB -0.401 41.524 42.059 -0.223 0.000 0.889 93 L HN 0.317 nan 8.230 nan 0.000 0.432 94 M N -0.466 119.079 119.600 -0.092 0.000 2.446 94 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 94 M C 2.298 178.630 176.300 0.052 0.000 1.066 94 M CA 1.427 56.691 55.300 -0.060 0.000 1.087 94 M CB -1.247 31.170 32.600 -0.306 0.000 1.406 94 M HN 0.398 nan 8.290 nan 0.000 0.459 95 S N -1.269 114.465 115.700 0.058 0.000 2.605 95 S HA -0.004 4.466 4.470 -0.000 0.000 0.217 95 S C 0.395 175.032 174.600 0.061 0.000 0.958 95 S CA -0.630 57.596 58.200 0.043 0.000 0.919 95 S CB -0.668 62.552 63.200 0.034 0.000 0.780 95 S HN 0.362 nan 8.310 nan 0.000 0.507 96 Y N 3.616 123.888 120.300 -0.046 0.000 2.620 96 Y HA 0.265 4.815 4.550 -0.000 0.000 0.330 96 Y C -0.260 175.517 175.900 -0.204 0.000 1.186 96 Y CA -0.658 57.344 58.100 -0.163 0.000 1.467 96 Y CB -0.084 38.159 38.460 -0.363 0.000 1.262 96 Y HN 0.253 nan 8.280 nan 0.000 0.550 97 N N 4.498 122.804 118.700 -0.656 0.000 2.439 97 N HA 0.611 5.350 4.740 -0.000 0.000 0.249 97 N C -0.557 174.393 175.510 -0.935 0.000 1.003 97 N CA 0.138 52.846 53.050 -0.571 0.000 0.942 97 N CB 1.113 39.403 38.487 -0.329 0.000 1.115 97 N HN 0.936 nan 8.380 nan 0.000 0.505 98 G N 0.423 108.791 108.800 -0.719 0.000 2.347 98 G HA2 0.011 3.971 3.960 -0.000 0.000 0.321 98 G HA3 0.011 3.971 3.960 -0.000 0.000 0.321 98 G C -1.253 173.424 174.900 -0.371 0.000 1.412 98 G CA -0.940 43.766 45.100 -0.657 0.000 0.990 98 G HN 0.254 nan 8.290 nan 0.000 0.637 99 T N 1.251 115.704 114.554 -0.169 0.000 2.767 99 T HA 0.572 4.922 4.350 -0.000 0.000 0.284 99 T C -0.073 174.625 174.700 -0.004 0.000 0.973 99 T CA -0.061 62.004 62.100 -0.059 0.000 0.996 99 T CB 0.571 69.427 68.868 -0.020 0.000 0.927 99 T HN 0.362 nan 8.240 nan 0.000 0.456 100 F N 3.194 123.187 119.950 0.072 0.000 2.529 100 F HA 0.300 4.827 4.527 -0.000 0.000 0.365 100 F C 1.258 177.021 175.800 -0.061 0.000 1.102 100 F CA 0.213 58.184 58.000 -0.049 0.000 1.271 100 F CB 0.532 39.398 39.000 -0.223 0.000 1.120 100 F HN 0.253 nan 8.300 nan 0.000 0.579 101 K N 1.271 121.750 120.400 0.132 0.000 2.400 101 K HA 0.699 5.019 4.320 -0.000 0.000 0.246 101 K C 0.370 176.998 176.600 0.047 0.000 0.995 101 K CA -0.459 55.869 56.287 0.068 0.000 0.840 101 K CB 2.062 34.592 32.500 0.050 0.000 1.293 101 K HN 0.768 nan 8.250 nan 0.000 0.445 102 G N 1.299 110.120 108.800 0.035 0.000 2.512 102 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 102 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 102 G C 0.625 175.536 174.900 0.017 0.000 1.199 102 G CA 0.441 45.561 45.100 0.033 0.000 0.941 102 G HN 0.717 nan 8.290 nan 0.000 0.569 103 E N 0.135 120.346 120.200 0.019 0.000 2.153 103 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 103 E C 2.500 179.080 176.600 -0.034 0.000 0.988 103 E CA 1.255 57.658 56.400 0.005 0.000 0.811 103 E CB -0.133 29.577 29.700 0.018 0.000 0.746 103 E HN 0.432 nan 8.360 nan 0.000 0.466 104 L N 0.046 121.126 121.223 -0.239 0.000 2.591 104 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 104 L C 2.234 178.676 176.870 -0.713 0.000 1.133 104 L CA -0.034 54.400 54.840 -0.678 0.000 0.880 104 L CB -0.240 41.327 42.059 -0.819 0.000 1.033 104 L HN 0.117 nan 8.230 nan 0.000 0.450 105 A N 1.570 124.250 122.820 -0.234 0.000 2.042 105 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 105 A C 2.025 179.500 177.584 -0.181 0.000 1.167 105 A CA 1.891 53.865 52.037 -0.105 0.000 0.649 105 A CB -0.856 18.150 19.000 0.009 0.000 0.809 105 A HN 0.602 nan 8.150 nan 0.000 0.457 106 F N -0.916 118.897 119.950 -0.228 0.000 2.333 106 F HA -0.012 4.515 4.527 -0.000 0.000 0.300 106 F C 1.480 177.094 175.800 -0.310 0.000 1.083 106 F CA 0.873 58.727 58.000 -0.245 0.000 1.395 106 F CB -0.770 38.034 39.000 -0.326 0.000 1.056 106 F HN 0.093 nan 8.300 nan 0.000 0.529 107 L N 0.955 121.468 121.223 -1.184 0.000 2.265 107 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 107 L C 1.548 178.321 176.870 -0.162 0.000 1.117 107 L CA 1.420 55.737 54.840 -0.872 0.000 0.782 107 L CB -0.937 40.259 42.059 -1.439 0.000 0.914 107 L HN 0.309 nan 8.230 nan 0.000 0.441 108 N N -0.697 117.982 118.700 -0.034 0.000 2.457 108 N HA -0.089 4.650 4.740 -0.000 0.000 0.180 108 N C 0.091 175.668 175.510 0.113 0.000 1.050 108 N CA 0.362 53.473 53.050 0.102 0.000 0.906 108 N CB 0.166 38.713 38.487 0.101 0.000 0.968 108 N HN 0.217 nan 8.380 nan 0.000 0.445 109 D N 1.497 121.974 120.400 0.127 0.000 3.060 109 D HA 0.050 4.689 4.640 -0.000 0.000 0.245 109 D C -0.571 175.847 176.300 0.197 0.000 1.274 109 D CA 0.119 54.210 54.000 0.150 0.000 0.864 109 D CB -0.136 40.752 40.800 0.147 0.000 1.073 109 D HN 0.028 nan 8.370 nan 0.000 0.473 110 D N 0.468 120.985 120.400 0.196 0.000 2.699 110 D HA -0.279 4.361 4.640 -0.000 0.000 0.239 110 D C -0.332 176.137 176.300 0.282 0.000 1.136 110 D CA 0.457 54.578 54.000 0.201 0.000 0.668 110 D CB -2.021 38.866 40.800 0.146 0.000 1.060 110 D HN 0.455 nan 8.370 nan 0.000 0.429 111 Y N 1.332 121.754 120.300 0.203 0.000 2.587 111 Y HA 0.192 4.742 4.550 -0.000 0.000 0.344 111 Y C 0.680 176.820 175.900 0.400 0.000 1.061 111 Y CA -0.063 58.211 58.100 0.290 0.000 1.370 111 Y CB 0.412 39.050 38.460 0.297 0.000 1.163 111 Y HN -0.096 nan 8.280 nan 0.000 0.527 112 E N 5.182 125.375 120.200 -0.013 0.000 2.319 112 E HA 0.008 4.358 4.350 -0.000 0.000 0.268 112 E C -1.118 175.242 176.600 -0.400 0.000 1.050 112 E CA -0.732 55.627 56.400 -0.069 0.000 0.878 112 E CB 0.864 30.549 29.700 -0.024 0.000 1.066 112 E HN 0.661 nan 8.360 nan 0.000 0.406 113 Y N 2.448 122.301 120.300 -0.745 0.000 2.511 113 Y HA -0.047 4.503 4.550 -0.000 0.000 0.332 113 Y C 0.948 176.614 175.900 -0.390 0.000 1.177 113 Y CA -0.379 57.193 58.100 -0.880 0.000 1.422 113 Y CB 0.148 37.955 38.460 -1.089 0.000 1.271 113 Y HN 0.531 nan 8.280 nan 0.000 0.550 114 F N 2.882 122.260 119.950 -0.952 0.000 2.780 114 F HA 0.265 4.792 4.527 -0.000 0.000 0.299 114 F C -0.206 175.280 175.800 -0.524 0.000 1.146 114 F CA -0.245 57.409 58.000 -0.577 0.000 1.428 114 F CB -0.680 38.084 39.000 -0.393 0.000 1.115 114 F HN 0.069 nan 8.300 nan 0.000 0.583 115 V N 3.934 122.919 119.914 -1.549 0.000 2.220 115 V HA 0.208 4.328 4.120 -0.000 0.000 0.265 115 V C -1.381 174.538 176.094 -0.292 0.000 1.078 115 V CA -1.242 60.657 62.300 -0.669 0.000 0.872 115 V CB 0.303 31.807 31.823 -0.531 0.000 1.121 115 V HN 0.030 nan 8.190 nan 0.000 0.460 116 P HA 0.012 nan 4.420 nan 0.000 0.220 116 P C 0.242 177.532 177.300 -0.017 0.000 1.152 116 P CA 0.841 63.929 63.100 -0.021 0.000 0.812 116 P CB 0.643 32.344 31.700 0.000 0.000 0.792 117 D N -0.108 120.263 120.400 -0.048 0.000 2.381 117 D HA 0.129 4.769 4.640 -0.000 0.000 0.235 117 D C 1.132 177.286 176.300 -0.244 0.000 1.068 117 D CA -0.356 53.539 54.000 -0.174 0.000 0.832 117 D CB 1.360 41.971 40.800 -0.315 0.000 1.101 117 D HN -0.113 nan 8.370 nan 0.000 0.515 118 S N 2.210 117.800 115.700 -0.183 0.000 2.507 118 S HA -0.121 4.348 4.470 -0.000 0.000 0.235 118 S C 1.917 176.379 174.600 -0.230 0.000 0.988 118 S CA 0.434 58.540 58.200 -0.157 0.000 0.944 118 S CB -0.058 63.086 63.200 -0.093 0.000 0.762 118 S HN 0.334 nan 8.310 nan 0.000 0.526 119 V N 0.564 120.261 119.914 -0.362 0.000 2.867 119 V HA -0.086 4.033 4.120 -0.000 0.000 0.260 119 V C 1.440 177.296 176.094 -0.397 0.000 1.099 119 V CA 1.389 63.459 62.300 -0.384 0.000 1.122 119 V CB -0.896 30.662 31.823 -0.441 0.000 0.708 119 V HN 0.650 nan 8.190 nan 0.000 0.490 120 Y N -0.410 119.687 120.300 -0.338 0.000 2.523 120 Y HA 0.309 4.859 4.550 -0.000 0.000 0.279 120 Y C 1.217 176.830 175.900 -0.478 0.000 1.139 120 Y CA -0.749 56.981 58.100 -0.617 0.000 1.296 120 Y CB -0.441 37.190 38.460 -1.382 0.000 1.045 120 Y HN 0.130 nan 8.280 nan 0.000 0.538 121 L N 1.472 122.612 121.223 -0.139 0.000 2.525 121 L HA -0.086 4.254 4.340 -0.000 0.000 0.278 121 L C 0.950 177.835 176.870 0.024 0.000 1.218 121 L CA 0.539 55.372 54.840 -0.011 0.000 0.878 121 L CB 0.344 42.387 42.059 -0.028 0.000 1.127 121 L HN 0.373 nan 8.230 nan 0.000 0.492 122 E N -0.324 119.921 120.200 0.075 0.000 4.071 122 E HA -0.168 4.181 4.350 -0.000 0.000 0.355 122 E C -0.317 176.334 176.600 0.085 0.000 0.653 122 E CA 1.005 57.444 56.400 0.064 0.000 1.298 122 E CB -0.854 28.867 29.700 0.036 0.000 1.712 122 E HN 0.519 nan 8.360 nan 0.000 0.416 123 K N 1.808 122.294 120.400 0.143 0.000 2.118 123 K HA 0.275 4.595 4.320 -0.000 0.000 0.267 123 K C 0.599 177.333 176.600 0.223 0.000 0.991 123 K CA -0.447 55.936 56.287 0.159 0.000 0.916 123 K CB 0.709 33.310 32.500 0.169 0.000 1.041 123 K HN -0.048 nan 8.250 nan 0.000 0.455 124 E N 1.963 122.248 120.200 0.141 0.000 2.529 124 E HA -0.032 4.317 4.350 -0.000 0.000 0.259 124 E C -0.097 176.590 176.600 0.145 0.000 0.966 124 E CA 0.318 56.788 56.400 0.117 0.000 0.937 124 E CB 0.101 29.822 29.700 0.036 0.000 0.923 124 E HN 0.530 nan 8.360 nan 0.000 0.468 125 T N 0.379 114.998 114.554 0.108 0.000 2.926 125 T HA 0.330 4.680 4.350 -0.000 0.000 0.307 125 T C 0.437 175.108 174.700 -0.048 0.000 1.059 125 T CA -0.690 61.427 62.100 0.029 0.000 1.122 125 T CB 0.724 69.540 68.868 -0.087 0.000 0.972 125 T HN 0.421 nan 8.240 nan 0.000 0.545 126 S N 0.750 116.408 115.700 -0.070 0.000 2.596 126 S HA 0.523 4.993 4.470 -0.000 0.000 0.270 126 S C -2.735 171.814 174.600 -0.086 0.000 1.155 126 S CA -1.517 56.608 58.200 -0.126 0.000 0.827 126 S CB 1.496 64.620 63.200 -0.127 0.000 1.130 126 S HN 0.343 nan 8.310 nan 0.000 0.467 127 P HA -0.051 nan 4.420 nan 0.000 0.220 127 P C 1.036 178.320 177.300 -0.028 0.000 1.144 127 P CA 1.116 64.191 63.100 -0.043 0.000 0.800 127 P CB 0.127 31.814 31.700 -0.021 0.000 0.772 128 K N -0.407 119.981 120.400 -0.021 0.000 2.243 128 K HA -0.050 4.270 4.320 -0.000 0.000 0.201 128 K C 1.010 177.577 176.600 -0.055 0.000 1.051 128 K CA 1.222 57.505 56.287 -0.007 0.000 0.970 128 K CB 0.021 32.539 32.500 0.030 0.000 0.755 128 K HN 0.163 nan 8.250 nan 0.000 0.465 129 N N -1.268 117.349 118.700 -0.138 0.000 2.170 129 N HA 0.032 4.772 4.740 -0.000 0.000 0.222 129 N C -0.819 174.571 175.510 -0.200 0.000 1.218 129 N CA -0.419 52.419 53.050 -0.355 0.000 0.889 129 N CB 1.231 39.200 38.487 -0.862 0.000 1.083 129 N HN -0.078 nan 8.380 nan 0.000 0.520 130 S N -0.988 114.659 115.700 -0.089 0.000 2.537 130 S HA 0.350 4.820 4.470 -0.000 0.000 0.270 130 S C -1.299 173.270 174.600 -0.052 0.000 1.142 130 S CA -0.555 57.611 58.200 -0.058 0.000 0.870 130 S CB 1.166 64.315 63.200 -0.085 0.000 1.112 130 S HN 0.023 nan 8.310 nan 0.000 0.466 131 D N 1.573 121.947 120.400 -0.043 0.000 2.369 131 D HA 0.183 4.823 4.640 -0.000 0.000 0.211 131 D C 0.283 176.546 176.300 -0.062 0.000 1.077 131 D CA 0.321 54.296 54.000 -0.042 0.000 0.842 131 D CB 0.768 41.553 40.800 -0.024 0.000 0.947 131 D HN 0.360 nan 8.370 nan 0.000 0.509 132 S N 0.764 116.422 115.700 -0.070 0.000 2.523 132 S HA 0.142 4.612 4.470 -0.000 0.000 0.275 132 S C 1.733 176.243 174.600 -0.150 0.000 1.281 132 S CA -0.673 57.478 58.200 -0.082 0.000 1.050 132 S CB 0.465 63.648 63.200 -0.028 0.000 0.937 132 S HN 0.250 nan 8.310 nan 0.000 0.492 133 I N 2.828 123.224 120.570 -0.290 0.000 2.700 133 I HA -0.062 4.108 4.170 -0.000 0.000 0.261 133 I C 0.388 176.252 176.117 -0.422 0.000 1.219 133 I CA 1.306 62.367 61.300 -0.398 0.000 1.463 133 I CB -0.419 37.273 38.000 -0.514 0.000 1.092 133 I HN 0.632 nan 8.210 nan 0.000 0.452 134 Y N 2.327 122.596 120.300 -0.050 0.000 2.470 134 Y HA 0.545 5.095 4.550 -0.000 0.000 0.302 134 Y C 1.615 177.485 175.900 -0.049 0.000 1.194 134 Y CA -0.605 57.470 58.100 -0.042 0.000 1.271 134 Y CB -1.048 37.381 38.460 -0.052 0.000 1.092 134 Y HN 0.158 nan 8.280 nan 0.000 0.513 135 A N 0.456 123.279 122.820 0.005 0.000 2.565 135 A HA 0.272 4.592 4.320 -0.000 0.000 0.237 135 A C 1.855 179.425 177.584 -0.023 0.000 1.053 135 A CA 0.742 52.758 52.037 -0.034 0.000 0.755 135 A CB 0.045 18.992 19.000 -0.088 0.000 0.980 135 A HN 0.597 nan 8.150 nan 0.000 0.506 136 G N 0.711 109.498 108.800 -0.021 0.000 2.421 136 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 136 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 136 G C 1.490 176.332 174.900 -0.097 0.000 1.143 136 G CA 1.508 46.611 45.100 0.005 0.000 0.784 136 G HN 1.056 nan 8.290 nan 0.000 0.541 137 T N -1.300 113.086 114.554 -0.282 0.000 2.777 137 T HA -0.117 4.232 4.350 -0.000 0.000 0.266 137 T C 2.312 176.770 174.700 -0.404 0.000 1.040 137 T CA 2.026 63.736 62.100 -0.650 0.000 1.141 137 T CB -0.842 67.121 68.868 -1.509 0.000 0.868 137 T HN 0.116 nan 8.240 nan 0.000 0.444 138 T N 2.056 116.465 114.554 -0.242 0.000 2.665 138 T HA -0.160 4.189 4.350 -0.000 0.000 0.268 138 T C 1.764 176.449 174.700 -0.025 0.000 1.035 138 T CA 1.732 63.777 62.100 -0.091 0.000 1.151 138 T CB -0.796 68.026 68.868 -0.078 0.000 0.862 138 T HN 0.545 nan 8.240 nan 0.000 0.438 139 D N 1.335 121.728 120.400 -0.011 0.000 2.116 139 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 139 D C 2.231 178.575 176.300 0.073 0.000 0.998 139 D CA 1.622 55.638 54.000 0.026 0.000 0.836 139 D CB -0.432 40.392 40.800 0.038 0.000 0.951 139 D HN 0.385 nan 8.370 nan 0.000 0.449 140 A N 0.043 122.919 122.820 0.095 0.000 1.929 140 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 140 A C 2.451 180.139 177.584 0.174 0.000 1.176 140 A CA 1.469 53.638 52.037 0.221 0.000 0.628 140 A CB -0.649 18.463 19.000 0.187 0.000 0.816 140 A HN 0.376 nan 8.150 nan 0.000 0.444 141 M N -0.542 119.122 119.600 0.107 0.000 2.099 141 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 141 M C 2.031 178.321 176.300 -0.016 0.000 1.067 141 M CA 1.754 57.083 55.300 0.048 0.000 1.124 141 M CB -0.160 32.509 32.600 0.115 0.000 1.353 141 M HN 0.321 nan 8.290 nan 0.000 0.410 142 K N -1.250 119.166 120.400 0.027 0.000 2.097 142 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 142 K C 1.965 178.613 176.600 0.079 0.000 1.049 142 K CA 1.595 57.900 56.287 0.030 0.000 0.933 142 K CB -0.491 32.029 32.500 0.034 0.000 0.717 142 K HN 0.591 nan 8.250 nan 0.000 0.442 143 H N -0.165 118.901 119.070 -0.008 0.000 2.321 143 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 143 H C 2.148 177.414 175.328 -0.102 0.000 1.087 143 H CA 1.135 57.219 56.048 0.061 0.000 1.319 143 H CB 0.022 29.909 29.762 0.208 0.000 1.379 143 H HN 0.277 nan 8.280 nan 0.000 0.501 144 G N 1.197 109.616 108.800 -0.636 0.000 2.476 144 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 144 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 144 G C 1.770 176.426 174.900 -0.406 0.000 1.164 144 G CA 1.241 45.574 45.100 -1.278 0.000 0.768 144 G HN 0.410 nan 8.290 nan 0.000 0.560 145 I N 1.402 121.844 120.570 -0.212 0.000 2.099 145 I HA -0.228 3.942 4.170 -0.000 0.000 0.239 145 I C 3.357 179.441 176.117 -0.055 0.000 1.066 145 I CA 1.177 62.403 61.300 -0.124 0.000 1.324 145 I CB -0.395 37.559 38.000 -0.078 0.000 1.037 145 I HN 0.259 nan 8.210 nan 0.000 0.401 146 A N 0.399 123.241 122.820 0.037 0.000 1.917 146 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 146 A C 2.267 179.933 177.584 0.137 0.000 1.182 146 A CA 1.755 53.848 52.037 0.093 0.000 0.633 146 A CB -1.069 18.040 19.000 0.182 0.000 0.819 146 A HN 0.470 nan 8.150 nan 0.000 0.448 147 F N 0.192 120.195 119.950 0.088 0.000 2.146 147 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 147 F C 2.354 178.263 175.800 0.183 0.000 1.096 147 F CA 1.909 60.064 58.000 0.257 0.000 1.275 147 F CB -0.060 39.126 39.000 0.309 0.000 1.008 147 F HN 0.213 nan 8.300 nan 0.000 0.480 148 R N 0.389 120.953 120.500 0.107 0.000 2.096 148 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 148 R C 1.992 178.153 176.300 -0.231 0.000 1.127 148 R CA 2.357 58.221 56.100 -0.393 0.000 0.968 148 R CB -1.329 28.463 30.300 -0.847 0.000 0.861 148 R HN 0.235 nan 8.270 nan 0.000 0.440 149 T N 0.471 114.928 114.554 -0.162 0.000 2.720 149 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 149 T C 1.650 176.241 174.700 -0.181 0.000 1.037 149 T CA 1.931 63.944 62.100 -0.145 0.000 1.144 149 T CB -0.204 68.601 68.868 -0.105 0.000 0.864 149 T HN 0.380 nan 8.240 nan 0.000 0.444 150 K N -0.487 119.751 120.400 -0.270 0.000 2.098 150 K HA 0.004 4.323 4.320 -0.000 0.000 0.203 150 K C 1.143 177.415 176.600 -0.545 0.000 1.051 150 K CA 0.993 56.992 56.287 -0.481 0.000 0.957 150 K CB 0.051 32.102 32.500 -0.749 0.000 0.738 150 K HN 0.348 nan 8.250 nan 0.000 0.447 151 Y N -0.691 119.480 120.300 -0.215 0.000 2.481 151 Y HA 0.308 4.857 4.550 -0.000 0.000 0.247 151 Y C 1.758 177.657 175.900 -0.001 0.000 1.151 151 Y CA -0.075 57.929 58.100 -0.160 0.000 1.238 151 Y CB 0.576 38.818 38.460 -0.362 0.000 1.179 151 Y HN 0.157 nan 8.280 nan 0.000 0.524 152 G N 0.915 109.758 108.800 0.071 0.000 2.450 152 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 152 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 152 G C 1.533 176.526 174.900 0.155 0.000 1.130 152 G CA 1.187 46.333 45.100 0.077 0.000 0.760 152 G HN 0.603 nan 8.290 nan 0.000 0.557 153 E N 0.277 120.535 120.200 0.096 0.000 2.333 153 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 153 E C 2.071 178.748 176.600 0.129 0.000 1.007 153 E CA 0.462 56.915 56.400 0.089 0.000 0.845 153 E CB -0.348 29.381 29.700 0.049 0.000 0.766 153 E HN 0.467 nan 8.360 nan 0.000 0.507 154 L N 0.044 121.381 121.223 0.189 0.000 2.492 154 L HA 0.125 4.465 4.340 -0.000 0.000 0.223 154 L C 0.627 177.640 176.870 0.239 0.000 1.132 154 L CA -0.151 54.804 54.840 0.191 0.000 0.850 154 L CB -0.003 42.178 42.059 0.203 0.000 0.966 154 L HN 0.113 nan 8.230 nan 0.000 0.454 155 F N 1.215 121.242 119.950 0.129 0.000 2.391 155 F HA 0.238 4.765 4.527 -0.000 0.000 0.359 155 F C 0.228 176.080 175.800 0.087 0.000 1.122 155 F CA -1.323 56.765 58.000 0.146 0.000 1.120 155 F CB 0.483 39.652 39.000 0.282 0.000 1.142 155 F HN -0.182 nan 8.300 nan 0.000 0.483 156 D N 4.242 124.318 120.400 -0.541 0.000 2.339 156 D HA 0.073 4.713 4.640 -0.000 0.000 0.241 156 D C 1.169 176.889 176.300 -0.966 0.000 1.183 156 D CA 0.053 53.742 54.000 -0.519 0.000 0.859 156 D CB 1.420 42.051 40.800 -0.282 0.000 1.067 156 D HN 0.712 nan 8.370 nan 0.000 0.484 157 T N 1.027 115.187 114.554 -0.658 0.000 3.051 157 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 157 T C 1.400 175.960 174.700 -0.233 0.000 1.127 157 T CA 0.478 62.315 62.100 -0.438 0.000 1.107 157 T CB -0.094 68.722 68.868 -0.087 0.000 0.898 157 T HN 0.272 nan 8.240 nan 0.000 0.517 158 N N 1.446 120.014 118.700 -0.220 0.000 2.521 158 N HA -0.000 4.739 4.740 -0.000 0.000 0.188 158 N C -0.711 174.730 175.510 -0.115 0.000 1.146 158 N CA 0.201 53.178 53.050 -0.123 0.000 0.893 158 N CB 0.031 38.465 38.487 -0.089 0.000 0.975 158 N HN 0.364 nan 8.380 nan 0.000 0.451 159 D N -0.650 119.631 120.400 -0.198 0.000 2.198 159 D HA 0.177 4.817 4.640 -0.000 0.000 0.247 159 D C -0.413 175.892 176.300 0.008 0.000 1.010 159 D CA -0.244 53.694 54.000 -0.104 0.000 0.880 159 D CB 1.474 42.198 40.800 -0.127 0.000 1.209 159 D HN -0.075 nan 8.370 nan 0.000 0.451 160 T N 1.261 115.851 114.554 0.060 0.000 2.916 160 T HA 0.110 4.460 4.350 -0.000 0.000 0.303 160 T C 0.295 175.088 174.700 0.154 0.000 1.025 160 T CA -0.245 61.913 62.100 0.097 0.000 1.142 160 T CB 0.232 69.135 68.868 0.060 0.000 0.947 160 T HN 0.112 nan 8.240 nan 0.000 0.544 161 L N 7.615 128.937 121.223 0.164 0.000 2.315 161 L HA 0.378 4.718 4.340 -0.000 0.000 0.283 161 L C -2.168 174.619 176.870 -0.138 0.000 1.089 161 L CA -1.798 53.066 54.840 0.040 0.000 0.833 161 L CB 0.474 42.449 42.059 -0.140 0.000 1.170 161 L HN 0.345 nan 8.230 nan 0.000 0.442 162 P HA 0.234 nan 4.420 nan 0.000 0.285 162 P C -1.294 175.679 177.300 -0.543 0.000 1.259 162 P CA -0.264 62.546 63.100 -0.484 0.000 0.794 162 P CB 1.647 32.977 31.700 -0.616 0.000 0.940 163 V N 4.068 123.583 119.914 -0.664 0.000 2.604 163 V HA 0.451 4.571 4.120 -0.000 0.000 0.305 163 V C -0.431 175.251 176.094 -0.688 0.000 1.043 163 V CA -0.414 61.621 62.300 -0.442 0.000 0.888 163 V CB 1.372 33.046 31.823 -0.249 0.000 0.995 163 V HN 0.335 nan 8.190 nan 0.000 0.429 164 F N 2.128 122.039 119.950 -0.065 0.000 2.449 164 F HA 0.708 5.234 4.527 -0.000 0.000 0.342 164 F C 0.311 176.089 175.800 -0.037 0.000 1.127 164 F CA -0.398 57.521 58.000 -0.135 0.000 0.975 164 F CB 2.178 41.104 39.000 -0.124 0.000 1.146 164 F HN 0.440 nan 8.300 nan 0.000 0.444 165 T N 1.576 116.146 114.554 0.025 0.000 2.956 165 T HA 0.474 4.824 4.350 -0.000 0.000 0.312 165 T C -0.403 174.296 174.700 -0.001 0.000 1.151 165 T CA -0.648 61.493 62.100 0.069 0.000 1.024 165 T CB 1.156 70.047 68.868 0.039 0.000 1.140 165 T HN 0.734 nan 8.240 nan 0.000 0.473 166 S N 3.045 118.760 115.700 0.024 0.000 2.608 166 S HA 0.196 4.666 4.470 -0.000 0.000 0.261 166 S C 1.245 175.893 174.600 0.080 0.000 1.314 166 S CA -0.068 58.150 58.200 0.029 0.000 0.992 166 S CB 0.381 63.623 63.200 0.071 0.000 0.935 166 S HN 0.842 nan 8.310 nan 0.000 0.564 167 N N 0.323 119.070 118.700 0.078 0.000 2.398 167 N HA -0.025 4.715 4.740 -0.000 0.000 0.188 167 N C 0.323 175.883 175.510 0.084 0.000 1.122 167 N CA 0.222 53.311 53.050 0.065 0.000 0.866 167 N CB -0.566 37.939 38.487 0.031 0.000 0.970 167 N HN 0.550 nan 8.380 nan 0.000 0.462 168 S N -0.062 115.717 115.700 0.131 0.000 2.596 168 S HA 0.158 4.627 4.470 -0.000 0.000 0.298 168 S C 1.600 176.273 174.600 0.122 0.000 1.255 168 S CA 0.012 58.301 58.200 0.148 0.000 1.083 168 S CB 0.176 63.497 63.200 0.201 0.000 0.837 168 S HN 0.421 nan 8.310 nan 0.000 0.499 169 G N 5.381 114.239 108.800 0.098 0.000 2.469 169 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 169 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 169 G C 1.526 176.515 174.900 0.149 0.000 1.150 169 G CA 1.021 46.188 45.100 0.110 0.000 0.763 169 G HN 0.931 nan 8.290 nan 0.000 0.561 170 R N -0.258 120.294 120.500 0.085 0.000 2.119 170 R HA 0.169 4.509 4.340 -0.000 0.000 0.222 170 R C 2.236 178.586 176.300 0.084 0.000 1.088 170 R CA 1.053 57.184 56.100 0.052 0.000 0.984 170 R CB -0.686 29.570 30.300 -0.073 0.000 0.884 170 R HN 0.203 nan 8.270 nan 0.000 0.447 171 V N 1.033 120.993 119.914 0.077 0.000 2.307 171 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 171 V C 2.217 178.331 176.094 0.033 0.000 1.045 171 V CA 1.806 64.160 62.300 0.090 0.000 1.024 171 V CB -0.788 31.033 31.823 -0.003 0.000 0.651 171 V HN 0.312 nan 8.190 nan 0.000 0.449 172 Y N 0.894 121.172 120.300 -0.036 0.000 2.114 172 Y HA -0.351 4.199 4.550 -0.000 0.000 0.282 172 Y C 2.736 178.585 175.900 -0.085 0.000 1.165 172 Y CA 2.515 60.573 58.100 -0.070 0.000 1.148 172 Y CB -0.229 38.212 38.460 -0.032 0.000 0.972 172 Y HN 0.294 nan 8.280 nan 0.000 0.504 173 Q N -0.853 118.963 119.800 0.027 0.000 2.123 173 Q HA -0.145 4.195 4.340 -0.000 0.000 0.199 173 Q C 1.978 177.966 176.000 -0.019 0.000 0.966 173 Q CA 1.899 57.718 55.803 0.026 0.000 0.845 173 Q CB -0.097 28.753 28.738 0.186 0.000 0.907 173 Q HN 0.508 nan 8.270 nan 0.000 0.439 174 T N 0.490 115.006 114.554 -0.063 0.000 2.607 174 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 174 T C 1.966 176.391 174.700 -0.458 0.000 1.049 174 T CA 1.905 63.942 62.100 -0.105 0.000 1.162 174 T CB -0.592 68.287 68.868 0.019 0.000 0.863 174 T HN 0.582 nan 8.240 nan 0.000 0.424 175 S N 1.631 116.742 115.700 -0.981 0.000 2.387 175 S HA -0.246 4.224 4.470 -0.000 0.000 0.230 175 S C 2.067 176.200 174.600 -0.778 0.000 1.035 175 S CA 1.108 58.288 58.200 -1.700 0.000 1.014 175 S CB -0.532 61.901 63.200 -1.278 0.000 0.836 175 S HN 0.360 nan 8.310 nan 0.000 0.466 176 Q N 0.080 119.527 119.800 -0.588 0.000 2.083 176 Q HA 0.035 4.375 4.340 -0.000 0.000 0.198 176 Q C 2.021 177.788 176.000 -0.389 0.000 0.969 176 Q CA 1.497 57.030 55.803 -0.450 0.000 0.838 176 Q CB -0.747 27.689 28.738 -0.505 0.000 0.900 176 Q HN 0.771 nan 8.270 nan 0.000 0.436 177 Y N -0.171 119.953 120.300 -0.294 0.000 2.242 177 Y HA -0.194 4.355 4.550 -0.000 0.000 0.291 177 Y C 2.110 177.913 175.900 -0.161 0.000 1.137 177 Y CA 1.101 59.071 58.100 -0.218 0.000 1.181 177 Y CB -0.390 37.991 38.460 -0.132 0.000 0.989 177 Y HN 0.094 nan 8.280 nan 0.000 0.527 178 F N 0.150 120.028 119.950 -0.120 0.000 2.069 178 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 178 F C 2.352 178.096 175.800 -0.094 0.000 1.113 178 F CA 1.580 59.524 58.000 -0.094 0.000 1.214 178 F CB -0.496 38.452 39.000 -0.086 0.000 0.978 178 F HN -0.029 nan 8.300 nan 0.000 0.474 179 A N 0.357 123.236 122.820 0.099 0.000 1.972 179 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 179 A C 2.246 179.861 177.584 0.052 0.000 1.169 179 A CA 1.637 53.742 52.037 0.113 0.000 0.635 179 A CB -0.683 18.408 19.000 0.152 0.000 0.810 179 A HN 0.478 nan 8.150 nan 0.000 0.446 180 R N -0.892 119.432 120.500 -0.294 0.000 2.092 180 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 180 R C 2.416 178.599 176.300 -0.196 0.000 1.119 180 R CA 1.038 56.865 56.100 -0.455 0.000 0.970 180 R CB -0.593 29.238 30.300 -0.782 0.000 0.864 180 R HN 0.525 nan 8.270 nan 0.000 0.440 181 G N 0.529 109.215 108.800 -0.190 0.000 2.446 181 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 181 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 181 G C 1.255 176.061 174.900 -0.156 0.000 1.168 181 G CA 0.551 45.547 45.100 -0.173 0.000 0.771 181 G HN 0.287 nan 8.290 nan 0.000 0.551 182 F N 0.631 120.373 119.950 -0.346 0.000 2.102 182 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 182 F C 2.577 178.275 175.800 -0.170 0.000 1.105 182 F CA 1.543 59.377 58.000 -0.278 0.000 1.239 182 F CB 0.145 38.965 39.000 -0.300 0.000 0.991 182 F HN 0.004 nan 8.300 nan 0.000 0.474 183 M N 0.290 119.987 119.600 0.162 0.000 2.476 183 M HA 0.203 4.682 4.480 -0.000 0.000 0.262 183 M C 1.750 178.088 176.300 0.064 0.000 1.111 183 M CA 0.988 56.372 55.300 0.140 0.000 1.127 183 M CB -1.683 31.090 32.600 0.289 0.000 1.376 183 M HN 0.364 nan 8.290 nan 0.000 0.465 184 G N 2.517 111.329 108.800 0.020 0.000 2.596 184 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.295 184 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.295 184 G C 0.244 175.173 174.900 0.047 0.000 1.240 184 G CA 0.685 45.783 45.100 -0.003 0.000 0.985 184 G HN 0.532 nan 8.290 nan 0.000 0.555 185 D N 0.558 120.976 120.400 0.031 0.000 2.378 185 D HA 0.076 4.715 4.640 -0.000 0.000 0.227 185 D C 1.167 177.507 176.300 0.067 0.000 1.012 185 D CA 1.416 55.442 54.000 0.044 0.000 0.905 185 D CB -0.117 40.696 40.800 0.021 0.000 0.895 185 D HN 0.384 nan 8.370 nan 0.000 0.532 186 D N -0.474 119.977 120.400 0.084 0.000 2.350 186 D HA 0.015 4.655 4.640 -0.000 0.000 0.213 186 D C 0.027 176.386 176.300 0.099 0.000 1.031 186 D CA -0.234 53.820 54.000 0.089 0.000 0.861 186 D CB -0.221 40.645 40.800 0.110 0.000 0.926 186 D HN 0.246 nan 8.370 nan 0.000 0.520 187 F N 2.410 122.362 119.950 0.003 0.000 2.578 187 F HA 0.126 4.653 4.527 -0.000 0.000 0.381 187 F C 0.701 176.492 175.800 -0.015 0.000 1.069 187 F CA 0.144 58.137 58.000 -0.013 0.000 1.231 187 F CB 0.425 39.397 39.000 -0.048 0.000 1.086 187 F HN -0.167 nan 8.300 nan 0.000 0.564 188 S N 3.453 118.790 115.700 -0.605 0.000 2.661 188 S HA 0.213 4.683 4.470 -0.000 0.000 0.268 188 S C 0.025 174.312 174.600 -0.522 0.000 1.162 188 S CA -0.775 57.219 58.200 -0.343 0.000 0.817 188 S CB 1.113 64.237 63.200 -0.128 0.000 1.141 188 S HN 0.597 nan 8.310 nan 0.000 0.477 189 N N 0.475 119.028 118.700 -0.245 0.000 2.453 189 N HA 0.014 4.754 4.740 -0.000 0.000 0.183 189 N C 0.710 176.126 175.510 -0.157 0.000 1.041 189 N CA 1.715 54.658 53.050 -0.179 0.000 0.900 189 N CB -0.134 38.312 38.487 -0.070 0.000 0.961 189 N HN 0.546 nan 8.380 nan 0.000 0.443 190 D N -2.058 118.256 120.400 -0.144 0.000 2.338 190 D HA 0.001 4.640 4.640 -0.000 0.000 0.208 190 D C 1.445 177.691 176.300 -0.090 0.000 0.997 190 D CA 1.024 54.970 54.000 -0.090 0.000 0.880 190 D CB -0.094 40.674 40.800 -0.053 0.000 0.980 190 D HN 0.410 nan 8.370 nan 0.000 0.509 191 T N -1.526 112.945 114.554 -0.138 0.000 3.100 191 T HA 0.175 4.525 4.350 -0.000 0.000 0.253 191 T C 0.702 175.348 174.700 -0.090 0.000 1.118 191 T CA -0.036 62.026 62.100 -0.064 0.000 1.058 191 T CB 0.317 69.174 68.868 -0.018 0.000 0.953 191 T HN -0.203 nan 8.240 nan 0.000 0.515 192 V N 1.290 121.063 119.914 -0.235 0.000 2.577 192 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 192 V C -0.678 175.302 176.094 -0.190 0.000 1.042 192 V CA -1.252 60.905 62.300 -0.239 0.000 0.872 192 V CB 2.115 33.709 31.823 -0.381 0.000 0.998 192 V HN 0.272 nan 8.190 nan 0.000 0.423 193 K N 2.790 123.103 120.400 -0.147 0.000 2.394 193 K HA 0.571 4.891 4.320 -0.000 0.000 0.260 193 K C -0.665 175.805 176.600 -0.217 0.000 0.967 193 K CA -0.288 55.925 56.287 -0.123 0.000 0.855 193 K CB 1.433 33.913 32.500 -0.034 0.000 1.101 193 K HN 0.723 nan 8.250 nan 0.000 0.433 194 T N 3.697 118.161 114.554 -0.150 0.000 2.767 194 T HA 0.241 4.591 4.350 -0.000 0.000 0.288 194 T C -0.647 173.972 174.700 -0.136 0.000 0.963 194 T CA -0.557 61.438 62.100 -0.175 0.000 1.019 194 T CB 0.407 69.242 68.868 -0.055 0.000 0.923 194 T HN 0.552 nan 8.240 nan 0.000 0.468 195 N N 2.919 121.450 118.700 -0.281 0.000 2.457 195 N HA 0.389 5.129 4.740 -0.000 0.000 0.250 195 N C -0.656 174.802 175.510 -0.086 0.000 0.982 195 N CA -0.439 52.524 53.050 -0.144 0.000 0.941 195 N CB 0.994 39.300 38.487 -0.301 0.000 1.120 195 N HN 0.537 nan 8.380 nan 0.000 0.505 196 I N 3.217 123.816 120.570 0.048 0.000 2.291 196 I HA 0.240 4.409 4.170 -0.000 0.000 0.292 196 I C -0.297 175.843 176.117 0.037 0.000 1.064 196 I CA -0.500 60.831 61.300 0.052 0.000 1.269 196 I CB 0.332 38.376 38.000 0.073 0.000 1.418 196 I HN 0.370 nan 8.210 nan 0.000 0.485 197 I N 5.592 126.105 120.570 -0.096 0.000 2.301 197 I HA 0.083 4.252 4.170 -0.000 0.000 0.292 197 I C 0.917 177.008 176.117 -0.043 0.000 1.046 197 I CA 0.050 61.250 61.300 -0.166 0.000 1.282 197 I CB 1.142 38.787 38.000 -0.592 0.000 1.409 197 I HN 0.547 nan 8.210 nan 0.000 0.484 198 S N 4.807 120.535 115.700 0.046 0.000 2.558 198 S HA -0.009 4.461 4.470 -0.000 0.000 0.293 198 S C 1.168 175.800 174.600 0.053 0.000 1.292 198 S CA -0.052 58.183 58.200 0.058 0.000 1.063 198 S CB 0.394 63.641 63.200 0.078 0.000 0.831 198 S HN 0.674 nan 8.310 nan 0.000 0.499 199 E N 2.056 122.298 120.200 0.069 0.000 2.511 199 E HA -0.017 4.333 4.350 -0.000 0.000 0.196 199 E C -0.262 176.386 176.600 0.080 0.000 1.066 199 E CA 0.033 56.484 56.400 0.084 0.000 0.871 199 E CB -0.007 29.762 29.700 0.114 0.000 0.863 199 E HN 0.671 nan 8.360 nan 0.000 0.520 200 D N 0.896 121.343 120.400 0.078 0.000 2.506 200 D HA -0.053 4.587 4.640 -0.000 0.000 0.234 200 D C 1.054 177.410 176.300 0.093 0.000 1.143 200 D CA 0.256 54.309 54.000 0.088 0.000 0.871 200 D CB 0.829 41.681 40.800 0.087 0.000 1.190 200 D HN 0.045 nan 8.370 nan 0.000 0.459 201 A N 2.755 125.643 122.820 0.113 0.000 2.084 201 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 201 A C 1.475 179.132 177.584 0.121 0.000 1.161 201 A CA 1.810 53.908 52.037 0.101 0.000 0.653 201 A CB -0.348 18.794 19.000 0.237 0.000 0.802 201 A HN 0.646 nan 8.150 nan 0.000 0.457 202 D N -1.337 119.151 120.400 0.147 0.000 2.349 202 D HA -0.058 4.582 4.640 -0.000 0.000 0.224 202 D C 1.352 177.724 176.300 0.120 0.000 1.029 202 D CA 0.338 54.428 54.000 0.149 0.000 0.879 202 D CB -0.370 40.510 40.800 0.133 0.000 0.906 202 D HN 0.320 nan 8.370 nan 0.000 0.528 203 M N 0.312 119.975 119.600 0.105 0.000 2.492 203 M HA 0.191 4.671 4.480 -0.000 0.000 0.262 203 M C 1.671 178.019 176.300 0.079 0.000 1.090 203 M CA 0.832 56.193 55.300 0.101 0.000 1.110 203 M CB -1.167 31.489 32.600 0.093 0.000 1.407 203 M HN 0.264 nan 8.290 nan 0.000 0.470 204 G N 1.116 109.968 108.800 0.088 0.000 2.611 204 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.301 204 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.301 204 G C 0.879 175.708 174.900 -0.118 0.000 1.233 204 G CA 1.041 46.213 45.100 0.119 0.000 0.993 204 G HN 0.568 nan 8.290 nan 0.000 0.553 205 A N -0.141 122.394 122.820 -0.475 0.000 2.167 205 A HA 0.276 4.595 4.320 -0.000 0.000 0.214 205 A C 1.483 178.899 177.584 -0.281 0.000 1.151 205 A CA 1.545 53.117 52.037 -0.775 0.000 0.735 205 A CB -0.235 18.146 19.000 -1.031 0.000 0.802 205 A HN 0.980 nan 8.150 nan 0.000 0.467 206 N N 0.781 119.424 118.700 -0.095 0.000 3.050 206 N HA 0.258 4.998 4.740 -0.000 0.000 0.289 206 N C -0.804 174.818 175.510 0.185 0.000 1.209 206 N CA 0.357 53.455 53.050 0.079 0.000 1.154 206 N CB -0.304 38.269 38.487 0.143 0.000 1.444 206 N HN 0.155 nan 8.380 nan 0.000 0.529 207 S N 0.981 116.803 115.700 0.204 0.000 2.552 207 S HA 0.342 4.812 4.470 -0.000 0.000 0.272 207 S C 0.266 174.914 174.600 0.080 0.000 1.150 207 S CA -0.655 57.585 58.200 0.067 0.000 0.849 207 S CB 0.515 63.723 63.200 0.013 0.000 1.113 207 S HN 0.313 nan 8.310 nan 0.000 0.458 208 L N 2.346 123.520 121.223 -0.082 0.000 2.591 208 L HA 0.212 4.552 4.340 -0.000 0.000 0.228 208 L C 0.645 177.550 176.870 0.058 0.000 1.133 208 L CA 0.640 55.475 54.840 -0.009 0.000 0.880 208 L CB 0.135 42.146 42.059 -0.080 0.000 1.033 208 L HN 0.834 nan 8.230 nan 0.000 0.450 209 T N -4.638 109.950 114.554 0.056 0.000 3.658 209 T HA 0.248 4.598 4.350 -0.000 0.000 0.245 209 T C -2.036 172.700 174.700 0.059 0.000 1.292 209 T CA -1.217 60.939 62.100 0.093 0.000 1.598 209 T CB 0.630 69.581 68.868 0.139 0.000 0.861 209 T HN -0.159 nan 8.240 nan 0.000 0.663 210 P HA -0.140 nan 4.420 nan 0.000 0.228 210 P C 1.486 178.861 177.300 0.124 0.000 1.151 210 P CA 0.602 63.722 63.100 0.034 0.000 0.770 210 P CB 0.072 31.735 31.700 -0.061 0.000 0.786 211 R N -0.077 120.458 120.500 0.058 0.000 2.148 211 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 211 R C 1.190 177.536 176.300 0.078 0.000 1.103 211 R CA 1.260 57.380 56.100 0.032 0.000 0.983 211 R CB -1.172 29.140 30.300 0.020 0.000 0.874 211 R HN 0.015 nan 8.270 nan 0.000 0.451 212 D N 1.002 121.442 120.400 0.066 0.000 2.219 212 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 212 D C 1.754 178.014 176.300 -0.066 0.000 0.970 212 D CA 1.603 55.628 54.000 0.042 0.000 0.851 212 D CB -0.214 40.623 40.800 0.062 0.000 0.943 212 D HN 0.554 nan 8.370 nan 0.000 0.488 213 G N -0.895 107.850 108.800 -0.092 0.000 3.042 213 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.212 213 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.212 213 G C 0.221 174.732 174.900 -0.649 0.000 1.166 213 G CA -0.158 44.752 45.100 -0.317 0.000 0.767 213 G HN 0.294 nan 8.290 nan 0.000 0.546 214 c N 1.890 120.251 118.600 -0.399 0.000 2.135 214 c HA 0.534 5.104 4.570 -0.000 0.000 0.345 214 c C 1.420 175.347 174.090 -0.273 0.000 1.067 214 c CA -1.087 54.982 56.329 -0.433 0.000 1.517 214 c CB -1.939 40.430 42.510 -0.236 0.000 1.923 214 c HN 0.390 nan 8.230 nan 0.000 0.466 215 F N 2.504 122.442 119.950 -0.021 0.000 2.234 215 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 215 F C 2.110 177.913 175.800 0.005 0.000 1.087 215 F CA 1.091 59.094 58.000 0.004 0.000 1.340 215 F CB -0.474 38.521 39.000 -0.008 0.000 1.031 215 F HN 0.495 nan 8.300 nan 0.000 0.500 216 N N -0.836 117.948 118.700 0.140 0.000 2.515 216 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 216 N C 0.026 175.597 175.510 0.102 0.000 1.109 216 N CA 0.211 53.315 53.050 0.091 0.000 0.903 216 N CB -0.513 38.001 38.487 0.046 0.000 0.969 216 N HN 0.239 nan 8.380 nan 0.000 0.450 217 Y N 2.097 122.379 120.300 -0.030 0.000 2.436 217 Y HA 0.234 4.784 4.550 -0.000 0.000 0.336 217 Y C -0.230 175.667 175.900 -0.005 0.000 1.049 217 Y CA -1.200 56.882 58.100 -0.030 0.000 1.294 217 Y CB -0.028 38.404 38.460 -0.046 0.000 1.179 217 Y HN -0.145 nan 8.280 nan 0.000 0.520 218 N N 5.371 123.881 118.700 -0.316 0.000 2.511 218 N HA 0.094 4.834 4.740 -0.000 0.000 0.249 218 N C 0.664 175.809 175.510 -0.609 0.000 0.971 218 N CA -0.468 52.335 53.050 -0.411 0.000 0.938 218 N CB 0.730 39.118 38.487 -0.165 0.000 1.131 218 N HN 0.765 nan 8.380 nan 0.000 0.505 219 E N 2.773 122.477 120.200 -0.827 0.000 2.265 219 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 219 E C -0.369 176.106 176.600 -0.208 0.000 0.996 219 E CA 1.290 57.364 56.400 -0.543 0.000 0.832 219 E CB -0.326 29.159 29.700 -0.360 0.000 0.756 219 E HN 0.668 nan 8.360 nan 0.000 0.491 220 N N 0.648 119.241 118.700 -0.180 0.000 2.235 220 N HA 0.271 5.011 4.740 -0.000 0.000 0.209 220 N C 1.282 176.746 175.510 -0.077 0.000 1.122 220 N CA 0.391 53.383 53.050 -0.096 0.000 0.845 220 N CB 0.673 39.113 38.487 -0.077 0.000 1.004 220 N HN 0.230 nan 8.380 nan 0.000 0.499 221 A N 1.196 123.966 122.820 -0.083 0.000 2.093 221 A HA -0.159 4.161 4.320 -0.000 0.000 0.222 221 A C 1.387 178.947 177.584 -0.039 0.000 1.162 221 A CA 1.304 53.311 52.037 -0.049 0.000 0.655 221 A CB -0.057 18.925 19.000 -0.030 0.000 0.805 221 A HN 0.330 nan 8.150 nan 0.000 0.461 222 N N -1.348 117.327 118.700 -0.041 0.000 2.241 222 N HA -0.004 4.736 4.740 -0.000 0.000 0.238 222 N C 1.121 176.552 175.510 -0.132 0.000 1.244 222 N CA 0.838 53.833 53.050 -0.091 0.000 0.880 222 N CB 0.230 38.676 38.487 -0.068 0.000 1.179 222 N HN 0.605 nan 8.380 nan 0.000 0.513 223 T N -1.169 113.336 114.554 -0.080 0.000 2.737 223 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 223 T C 2.116 176.766 174.700 -0.084 0.000 1.040 223 T CA 1.321 63.380 62.100 -0.069 0.000 1.142 223 T CB -0.157 68.686 68.868 -0.042 0.000 0.861 223 T HN 0.153 nan 8.240 nan 0.000 0.456 224 A N 1.596 124.364 122.820 -0.086 0.000 1.865 224 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 224 A C 2.347 179.868 177.584 -0.105 0.000 1.191 224 A CA 1.755 53.747 52.037 -0.076 0.000 0.623 224 A CB -1.019 17.943 19.000 -0.063 0.000 0.826 224 A HN 0.484 nan 8.150 nan 0.000 0.444 225 I N -0.355 120.104 120.570 -0.186 0.000 2.286 225 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 225 I C 2.256 178.250 176.117 -0.206 0.000 1.115 225 I CA 1.208 62.368 61.300 -0.234 0.000 1.392 225 I CB -0.094 37.660 38.000 -0.410 0.000 1.065 225 I HN 0.117 nan 8.210 nan 0.000 0.418 226 V N 0.568 120.345 119.914 -0.227 0.000 2.343 226 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 226 V C 1.971 178.060 176.094 -0.008 0.000 1.051 226 V CA 2.004 64.233 62.300 -0.117 0.000 1.036 226 V CB -0.912 30.860 31.823 -0.086 0.000 0.654 226 V HN 0.387 nan 8.190 nan 0.000 0.451 227 D N -0.042 120.350 120.400 -0.013 0.000 2.309 227 D HA -0.147 4.493 4.640 -0.000 0.000 0.212 227 D C 2.030 178.355 176.300 0.042 0.000 0.968 227 D CA 0.818 54.832 54.000 0.023 0.000 0.882 227 D CB -0.118 40.684 40.800 0.005 0.000 0.918 227 D HN 0.581 nan 8.370 nan 0.000 0.503 228 E N -0.523 119.699 120.200 0.037 0.000 2.418 228 E HA -0.113 4.237 4.350 -0.000 0.000 0.197 228 E C 0.315 176.977 176.600 0.103 0.000 1.026 228 E CA -0.129 56.303 56.400 0.053 0.000 0.862 228 E CB 0.052 29.775 29.700 0.038 0.000 0.799 228 E HN 0.291 nan 8.360 nan 0.000 0.518 229 Y N 1.927 122.240 120.300 0.021 0.000 2.511 229 Y HA -0.035 4.515 4.550 -0.000 0.000 0.332 229 Y C 0.606 176.556 175.900 0.084 0.000 1.177 229 Y CA -0.234 57.902 58.100 0.059 0.000 1.422 229 Y CB 0.656 39.145 38.460 0.048 0.000 1.271 229 Y HN -0.265 nan 8.280 nan 0.000 0.550 230 T N 3.527 117.722 114.554 -0.599 0.000 2.939 230 T HA 0.003 4.353 4.350 -0.000 0.000 0.312 230 T C 0.966 175.525 174.700 -0.235 0.000 1.064 230 T CA 0.852 62.716 62.100 -0.393 0.000 1.136 230 T CB 0.025 68.666 68.868 -0.378 0.000 1.035 230 T HN 0.899 nan 8.240 nan 0.000 0.538 231 T N 0.766 115.269 114.554 -0.086 0.000 3.091 231 T HA 0.245 4.595 4.350 -0.000 0.000 0.277 231 T C 1.299 175.880 174.700 -0.199 0.000 0.996 231 T CA -0.083 61.951 62.100 -0.111 0.000 0.897 231 T CB 0.231 69.049 68.868 -0.084 0.000 1.109 231 T HN 0.599 nan 8.240 nan 0.000 0.534 232 E N 2.347 122.504 120.200 -0.073 0.000 2.171 232 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 232 E C 1.592 178.170 176.600 -0.037 0.000 0.997 232 E CA 1.858 58.230 56.400 -0.047 0.000 0.810 232 E CB -0.701 28.995 29.700 -0.006 0.000 0.738 232 E HN 0.905 nan 8.360 nan 0.000 0.467 233 Y N -0.756 119.537 120.300 -0.011 0.000 2.333 233 Y HA -0.090 4.460 4.550 -0.000 0.000 0.290 233 Y C 1.842 177.775 175.900 0.056 0.000 1.144 233 Y CA 0.994 59.107 58.100 0.022 0.000 1.228 233 Y CB -0.641 37.842 38.460 0.038 0.000 0.985 233 Y HN -0.011 nan 8.280 nan 0.000 0.542 234 L N 0.175 120.954 121.223 -0.740 0.000 2.093 234 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 234 L C 2.484 179.262 176.870 -0.153 0.000 1.085 234 L CA 1.710 56.307 54.840 -0.405 0.000 0.755 234 L CB -0.879 40.939 42.059 -0.403 0.000 0.904 234 L HN 0.284 nan 8.230 nan 0.000 0.435 235 T N -0.216 114.256 114.554 -0.137 0.000 2.674 235 T HA -0.179 4.170 4.350 -0.000 0.000 0.265 235 T C 1.899 176.547 174.700 -0.086 0.000 1.039 235 T CA 1.305 63.357 62.100 -0.080 0.000 1.150 235 T CB -0.090 68.743 68.868 -0.059 0.000 0.864 235 T HN 0.281 nan 8.240 nan 0.000 0.427 236 K N 1.257 121.615 120.400 -0.070 0.000 2.074 236 K HA -0.066 4.254 4.320 -0.000 0.000 0.209 236 K C 2.630 179.132 176.600 -0.163 0.000 1.048 236 K CA 1.383 57.626 56.287 -0.073 0.000 0.926 236 K CB -0.321 32.171 32.500 -0.014 0.000 0.713 236 K HN 0.292 nan 8.250 nan 0.000 0.444 237 A N 1.423 124.131 122.820 -0.187 0.000 1.898 237 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 237 A C 2.125 179.185 177.584 -0.873 0.000 1.181 237 A CA 1.046 52.800 52.037 -0.471 0.000 0.620 237 A CB -0.496 18.410 19.000 -0.156 0.000 0.819 237 A HN 0.236 nan 8.150 nan 0.000 0.442 238 L N 0.542 121.536 121.223 -0.382 0.000 2.017 238 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 238 L C 1.779 178.553 176.870 -0.161 0.000 1.073 238 L CA 2.348 57.085 54.840 -0.171 0.000 0.745 238 L CB -0.882 41.174 42.059 -0.005 0.000 0.894 238 L HN 0.321 nan 8.230 nan 0.000 0.432 239 N N -0.099 118.509 118.700 -0.153 0.000 2.166 239 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 239 N C 1.994 177.436 175.510 -0.114 0.000 1.019 239 N CA 1.471 54.464 53.050 -0.096 0.000 0.856 239 N CB -0.393 38.050 38.487 -0.073 0.000 0.993 239 N HN 0.442 nan 8.380 nan 0.000 0.426 240 R N -0.156 120.208 120.500 -0.226 0.000 2.075 240 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 240 R C 1.558 177.823 176.300 -0.058 0.000 1.126 240 R CA 1.039 57.033 56.100 -0.176 0.000 0.963 240 R CB -0.222 29.931 30.300 -0.245 0.000 0.858 240 R HN 0.027 nan 8.270 nan 0.000 0.435 241 F N 1.391 121.306 119.950 -0.058 0.000 2.134 241 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 241 F C 2.165 177.921 175.800 -0.073 0.000 1.097 241 F CA 1.220 59.169 58.000 -0.085 0.000 1.264 241 F CB -0.696 38.236 39.000 -0.113 0.000 1.001 241 F HN -0.007 nan 8.300 nan 0.000 0.479 242 K N 0.092 120.559 120.400 0.112 0.000 2.097 242 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 242 K C 2.320 178.940 176.600 0.032 0.000 1.049 242 K CA 1.131 57.446 56.287 0.047 0.000 0.933 242 K CB -0.494 32.025 32.500 0.031 0.000 0.717 242 K HN 0.199 nan 8.250 nan 0.000 0.442 243 A N 1.041 123.876 122.820 0.024 0.000 1.940 243 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 243 A C 2.011 179.612 177.584 0.028 0.000 1.176 243 A CA 1.939 53.987 52.037 0.018 0.000 0.631 243 A CB -0.318 18.685 19.000 0.005 0.000 0.814 243 A HN 0.216 nan 8.150 nan 0.000 0.446 244 S N -0.121 115.604 115.700 0.042 0.000 2.528 244 S HA 0.078 4.548 4.470 -0.000 0.000 0.219 244 S C 0.319 174.940 174.600 0.036 0.000 0.985 244 S CA -0.095 58.130 58.200 0.042 0.000 0.914 244 S CB 0.049 63.282 63.200 0.056 0.000 0.776 244 S HN 0.631 nan 8.310 nan 0.000 0.526 245 N N 2.266 120.978 118.700 0.019 0.000 2.707 245 N HA 0.252 4.992 4.740 -0.000 0.000 0.249 245 N C -3.368 172.160 175.510 0.031 0.000 1.299 245 N CA -0.902 52.132 53.050 -0.026 0.000 0.769 245 N CB 1.708 40.029 38.487 -0.277 0.000 1.236 245 N HN 0.139 nan 8.380 nan 0.000 0.524 246 P HA 0.146 nan 4.420 nan 0.000 0.271 246 P C 1.039 178.434 177.300 0.158 0.000 1.216 246 P CA 0.757 63.911 63.100 0.089 0.000 0.771 246 P CB 0.856 32.589 31.700 0.056 0.000 0.864 247 G N 1.449 110.319 108.800 0.117 0.000 2.176 247 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.253 247 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.253 247 G C -0.109 174.912 174.900 0.202 0.000 0.979 247 G CA -0.047 45.136 45.100 0.138 0.000 0.641 247 G HN 0.623 nan 8.290 nan 0.000 0.530 248 L N 1.632 122.944 121.223 0.149 0.000 2.562 248 L HA 0.515 4.855 4.340 -0.000 0.000 0.271 248 L C 0.337 177.243 176.870 0.060 0.000 1.167 248 L CA -0.183 54.661 54.840 0.007 0.000 0.917 248 L CB 0.423 42.354 42.059 -0.214 0.000 1.187 248 L HN 0.216 nan 8.230 nan 0.000 0.482 249 N N 6.368 125.123 118.700 0.092 0.000 2.949 249 N HA 0.371 5.111 4.740 -0.000 0.000 0.243 249 N C -0.972 174.578 175.510 0.068 0.000 1.113 249 N CA -0.355 52.741 53.050 0.076 0.000 0.980 249 N CB -0.207 38.328 38.487 0.078 0.000 1.256 249 N HN 0.607 nan 8.380 nan 0.000 0.508 250 I N -1.744 118.864 120.570 0.065 0.000 3.074 250 I HA 0.720 4.890 4.170 -0.000 0.000 0.310 250 I C -0.023 176.142 176.117 0.080 0.000 1.153 250 I CA -0.936 60.408 61.300 0.074 0.000 0.993 250 I CB 2.088 40.130 38.000 0.070 0.000 1.237 250 I HN 0.119 nan 8.210 nan 0.000 0.443 251 T N -0.928 113.678 114.554 0.088 0.000 2.919 251 T HA 0.450 4.799 4.350 -0.000 0.000 0.282 251 T C 0.600 175.360 174.700 0.099 0.000 1.020 251 T CA -0.366 61.782 62.100 0.080 0.000 0.994 251 T CB 1.653 70.563 68.868 0.069 0.000 1.180 251 T HN 0.699 nan 8.240 nan 0.000 0.566 252 E N 0.355 120.599 120.200 0.074 0.000 2.153 252 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 252 E C 1.548 178.216 176.600 0.113 0.000 0.988 252 E CA 1.273 57.715 56.400 0.069 0.000 0.811 252 E CB -0.226 29.479 29.700 0.009 0.000 0.746 252 E HN 0.566 nan 8.360 nan 0.000 0.466 253 D N 0.562 121.029 120.400 0.112 0.000 2.117 253 D HA -0.134 4.505 4.640 -0.000 0.000 0.198 253 D C 1.331 177.743 176.300 0.186 0.000 0.982 253 D CA 0.946 55.030 54.000 0.141 0.000 0.828 253 D CB -0.241 40.627 40.800 0.113 0.000 0.967 253 D HN 0.182 nan 8.370 nan 0.000 0.464 254 D N 0.435 120.937 120.400 0.169 0.000 2.097 254 D HA -0.101 4.538 4.640 -0.000 0.000 0.195 254 D C 2.351 178.792 176.300 0.235 0.000 0.989 254 D CA 0.592 54.705 54.000 0.189 0.000 0.827 254 D CB -0.186 40.699 40.800 0.141 0.000 0.966 254 D HN 0.069 nan 8.370 nan 0.000 0.456 255 V N 0.997 121.059 119.914 0.248 0.000 2.287 255 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 255 V C 2.666 179.005 176.094 0.409 0.000 1.053 255 V CA 1.846 64.353 62.300 0.345 0.000 1.027 255 V CB -0.687 31.354 31.823 0.363 0.000 0.646 255 V HN 0.172 nan 8.190 nan 0.000 0.447 256 S N 0.400 116.331 115.700 0.385 0.000 2.374 256 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 256 S C 1.863 176.777 174.600 0.523 0.000 1.037 256 S CA 1.844 60.340 58.200 0.493 0.000 1.024 256 S CB -0.530 62.887 63.200 0.362 0.000 0.861 256 S HN 0.666 nan 8.310 nan 0.000 0.456 257 N N 1.186 120.153 118.700 0.446 0.000 2.443 257 N HA 0.031 4.771 4.740 -0.000 0.000 0.184 257 N C 1.455 177.286 175.510 0.534 0.000 1.037 257 N CA 0.646 54.019 53.050 0.537 0.000 0.896 257 N CB -0.381 38.413 38.487 0.511 0.000 0.959 257 N HN 0.458 nan 8.380 nan 0.000 0.442 258 L N -0.907 120.542 121.223 0.377 0.000 2.341 258 L HA 0.043 4.383 4.340 -0.000 0.000 0.214 258 L C 1.515 178.503 176.870 0.196 0.000 1.115 258 L CA 0.312 55.304 54.840 0.254 0.000 0.820 258 L CB -0.296 41.842 42.059 0.131 0.000 0.944 258 L HN -0.006 nan 8.230 nan 0.000 0.452 259 F N 0.298 120.282 119.950 0.057 0.000 2.113 259 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 259 F C 2.553 178.341 175.800 -0.021 0.000 1.103 259 F CA 1.421 59.289 58.000 -0.219 0.000 1.248 259 F CB -1.029 37.221 39.000 -1.250 0.000 0.999 259 F HN 0.021 nan 8.300 nan 0.000 0.475 260 G N -1.643 107.350 108.800 0.321 0.000 2.422 260 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 260 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 260 G C 1.536 176.500 174.900 0.106 0.000 1.140 260 G CA 0.500 45.848 45.100 0.412 0.000 0.775 260 G HN 0.411 nan 8.290 nan 0.000 0.545 261 Y N 0.426 120.568 120.300 -0.263 0.000 2.114 261 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 261 Y C 2.978 178.738 175.900 -0.233 0.000 1.143 261 Y CA 1.619 59.438 58.100 -0.469 0.000 1.135 261 Y CB -0.494 37.886 38.460 -0.133 0.000 0.980 261 Y HN 0.268 nan 8.280 nan 0.000 0.499 262 c N 0.794 119.512 118.600 0.196 0.000 2.363 262 c HA -0.324 4.246 4.570 -0.000 0.000 0.274 262 c C 2.912 176.958 174.090 -0.073 0.000 1.183 262 c CA 2.110 58.486 56.329 0.080 0.000 1.771 262 c CB -1.717 40.909 42.510 0.192 0.000 2.059 262 c HN 0.724 nan 8.230 nan 0.000 0.455 263 A N -1.366 121.413 122.820 -0.068 0.000 1.883 263 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 263 A C 1.976 179.303 177.584 -0.428 0.000 1.186 263 A CA 2.060 53.953 52.037 -0.239 0.000 0.624 263 A CB -1.059 17.790 19.000 -0.252 0.000 0.822 263 A HN 0.784 nan 8.150 nan 0.000 0.444 264 Y N -0.732 119.448 120.300 -0.200 0.000 2.365 264 Y HA -0.005 4.544 4.550 -0.000 0.000 0.293 264 Y C 2.390 177.873 175.900 -0.695 0.000 1.119 264 Y CA 1.199 59.144 58.100 -0.258 0.000 1.203 264 Y CB -0.213 38.283 38.460 0.060 0.000 1.026 264 Y HN 0.509 nan 8.280 nan 0.000 0.549 265 E N 0.250 119.807 120.200 -1.072 0.000 2.106 265 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 265 E C 2.087 178.394 176.600 -0.489 0.000 0.984 265 E CA 0.898 56.552 56.400 -1.244 0.000 0.806 265 E CB -0.215 28.905 29.700 -0.967 0.000 0.750 265 E HN 0.329 nan 8.360 nan 0.000 0.458 266 L N 1.866 122.886 121.223 -0.337 0.000 1.990 266 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 266 L C 1.683 178.462 176.870 -0.152 0.000 1.072 266 L CA 2.024 56.740 54.840 -0.207 0.000 0.755 266 L CB -0.936 40.986 42.059 -0.228 0.000 0.889 266 L HN 0.130 nan 8.230 nan 0.000 0.432 267 N N -0.493 118.087 118.700 -0.199 0.000 2.060 267 N HA -0.189 4.551 4.740 -0.000 0.000 0.195 267 N C 1.805 177.247 175.510 -0.112 0.000 1.028 267 N CA 1.973 54.958 53.050 -0.109 0.000 0.861 267 N CB -0.650 37.785 38.487 -0.087 0.000 1.029 267 N HN 0.364 nan 8.380 nan 0.000 0.428 268 V N 0.683 120.469 119.914 -0.213 0.000 2.446 268 V HA -0.007 4.113 4.120 -0.000 0.000 0.244 268 V C 1.810 177.820 176.094 -0.139 0.000 1.039 268 V CA 1.228 63.364 62.300 -0.273 0.000 1.045 268 V CB -0.070 31.586 31.823 -0.278 0.000 0.681 268 V HN 0.228 nan 8.190 nan 0.000 0.459 269 K N -0.452 119.880 120.400 -0.113 0.000 2.354 269 K HA 0.323 4.643 4.320 -0.000 0.000 0.194 269 K C 1.586 178.174 176.600 -0.019 0.000 1.045 269 K CA 0.910 57.165 56.287 -0.052 0.000 1.026 269 K CB 0.736 33.209 32.500 -0.045 0.000 0.866 269 K HN 0.488 nan 8.250 nan 0.000 0.530 270 G N 1.230 110.043 108.800 0.020 0.000 2.175 270 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 270 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 270 G C 0.106 175.079 174.900 0.122 0.000 0.982 270 G CA 0.189 45.370 45.100 0.134 0.000 0.641 270 G HN 0.644 nan 8.290 nan 0.000 0.527 271 A N -1.382 121.449 122.820 0.018 0.000 2.582 271 A HA 0.908 5.228 4.320 -0.000 0.000 0.297 271 A C -0.517 177.031 177.584 -0.060 0.000 1.059 271 A CA 0.771 52.802 52.037 -0.011 0.000 0.705 271 A CB 1.280 20.279 19.000 -0.001 0.000 1.279 271 A HN 1.818 nan 8.150 nan 0.000 0.404 272 S N 2.581 118.228 115.700 -0.089 0.000 2.614 272 S HA 0.708 5.178 4.470 -0.000 0.000 0.288 272 S C -2.203 172.270 174.600 -0.213 0.000 1.137 272 S CA -1.302 56.829 58.200 -0.115 0.000 0.992 272 S CB 1.695 64.825 63.200 -0.116 0.000 1.026 272 S HN 0.415 nan 8.310 nan 0.000 0.486 273 P HA -0.053 nan 4.420 nan 0.000 0.220 273 P C 1.440 178.117 177.300 -1.038 0.000 1.148 273 P CA 0.619 63.210 63.100 -0.848 0.000 0.803 273 P CB 0.009 30.889 31.700 -1.367 0.000 0.782 274 M N -0.194 119.004 119.600 -0.670 0.000 2.202 274 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 274 M C 1.807 177.990 176.300 -0.195 0.000 1.063 274 M CA 1.487 56.580 55.300 -0.345 0.000 1.097 274 M CB -1.448 31.117 32.600 -0.058 0.000 1.382 274 M HN -0.100 nan 8.290 nan 0.000 0.413 275 c N 0.568 119.115 118.600 -0.089 0.000 2.419 275 c HA -0.115 4.455 4.570 -0.000 0.000 0.281 275 c C 1.774 175.958 174.090 0.156 0.000 1.336 275 c CA 0.802 57.213 56.329 0.136 0.000 1.770 275 c CB -1.361 41.199 42.510 0.082 0.000 1.929 275 c HN 0.509 nan 8.230 nan 0.000 0.509 276 D N 1.087 121.444 120.400 -0.071 0.000 2.363 276 D HA 0.009 4.649 4.640 -0.000 0.000 0.226 276 D C 1.687 177.936 176.300 -0.085 0.000 1.020 276 D CA 0.554 54.520 54.000 -0.056 0.000 0.892 276 D CB -0.320 40.397 40.800 -0.139 0.000 0.900 276 D HN 0.675 nan 8.370 nan 0.000 0.531 277 I N -3.710 116.710 120.570 -0.251 0.000 3.728 277 I HA 0.170 4.339 4.170 -0.000 0.000 0.307 277 I C -0.269 175.603 176.117 -0.408 0.000 1.276 277 I CA 0.048 61.128 61.300 -0.366 0.000 1.285 277 I CB 0.059 37.656 38.000 -0.672 0.000 1.038 277 I HN -0.356 nan 8.210 nan 0.000 0.445 278 F N 2.008 121.894 119.950 -0.107 0.000 2.507 278 F HA 0.500 5.027 4.527 -0.000 0.000 0.327 278 F C 0.910 176.649 175.800 -0.101 0.000 1.068 278 F CA -1.069 56.764 58.000 -0.279 0.000 0.965 278 F CB 1.556 39.981 39.000 -0.959 0.000 1.192 278 F HN -0.087 nan 8.300 nan 0.000 0.476 279 T N -1.758 112.898 114.554 0.171 0.000 2.874 279 T HA 0.219 4.569 4.350 -0.000 0.000 0.281 279 T C 0.878 175.734 174.700 0.260 0.000 0.994 279 T CA -0.655 61.558 62.100 0.188 0.000 1.015 279 T CB 0.756 69.700 68.868 0.127 0.000 1.028 279 T HN 0.442 nan 8.240 nan 0.000 0.523 280 N N 0.574 119.440 118.700 0.276 0.000 2.137 280 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 280 N C 1.704 177.254 175.510 0.066 0.000 1.017 280 N CA 1.632 54.817 53.050 0.226 0.000 0.859 280 N CB -0.398 38.180 38.487 0.151 0.000 1.002 280 N HN 0.913 nan 8.380 nan 0.000 0.428 281 E N 0.725 120.966 120.200 0.067 0.000 2.106 281 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 281 E C 1.347 177.935 176.600 -0.020 0.000 0.984 281 E CA 0.975 57.392 56.400 0.028 0.000 0.806 281 E CB 0.065 29.796 29.700 0.051 0.000 0.750 281 E HN 0.436 nan 8.360 nan 0.000 0.458 282 E N -0.327 119.891 120.200 0.030 0.000 2.047 282 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 282 E C 1.840 178.366 176.600 -0.124 0.000 0.987 282 E CA 1.162 57.572 56.400 0.016 0.000 0.799 282 E CB -0.191 29.657 29.700 0.247 0.000 0.752 282 E HN 0.248 nan 8.360 nan 0.000 0.449 283 F N 0.946 120.943 119.950 0.078 0.000 2.091 283 F HA -0.235 4.291 4.527 -0.000 0.000 0.299 283 F C 2.193 177.851 175.800 -0.236 0.000 1.103 283 F CA 1.187 59.187 58.000 -0.000 0.000 1.228 283 F CB -0.476 38.494 39.000 -0.050 0.000 0.984 283 F HN 0.022 nan 8.300 nan 0.000 0.477 284 I N -0.726 119.716 120.570 -0.213 0.000 2.286 284 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 284 I C 2.254 178.291 176.117 -0.133 0.000 1.115 284 I CA 1.353 62.528 61.300 -0.209 0.000 1.392 284 I CB -0.453 37.469 38.000 -0.131 0.000 1.065 284 I HN 0.235 nan 8.210 nan 0.000 0.418 285 Q N -0.717 118.918 119.800 -0.277 0.000 2.137 285 Q HA -0.198 4.141 4.340 -0.000 0.000 0.198 285 Q C 2.111 177.861 176.000 -0.418 0.000 0.960 285 Q CA 1.255 56.842 55.803 -0.360 0.000 0.847 285 Q CB -0.228 28.048 28.738 -0.770 0.000 0.915 285 Q HN 0.491 nan 8.270 nan 0.000 0.448 286 Y N 1.044 120.883 120.300 -0.769 0.000 2.114 286 Y HA -0.312 4.238 4.550 -0.000 0.000 0.282 286 Y C 2.618 178.359 175.900 -0.266 0.000 1.165 286 Y CA 1.834 59.583 58.100 -0.585 0.000 1.148 286 Y CB -0.463 37.189 38.460 -1.346 0.000 0.972 286 Y HN 0.034 nan 8.280 nan 0.000 0.504 287 S N -1.062 114.559 115.700 -0.132 0.000 2.383 287 S HA -0.281 4.189 4.470 -0.000 0.000 0.229 287 S C 1.961 176.457 174.600 -0.173 0.000 1.030 287 S CA 1.538 59.706 58.200 -0.053 0.000 1.002 287 S CB -0.901 62.447 63.200 0.247 0.000 0.829 287 S HN 0.684 nan 8.310 nan 0.000 0.467 288 Y N 2.338 122.447 120.300 -0.319 0.000 2.337 288 Y HA 0.017 4.567 4.550 -0.000 0.000 0.293 288 Y C 2.631 178.207 175.900 -0.539 0.000 1.123 288 Y CA 1.403 59.243 58.100 -0.433 0.000 1.201 288 Y CB -0.702 37.433 38.460 -0.542 0.000 1.011 288 Y HN 0.476 nan 8.280 nan 0.000 0.545 289 S N -1.299 114.054 115.700 -0.578 0.000 2.383 289 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 289 S C 1.937 176.263 174.600 -0.457 0.000 1.026 289 S CA 1.408 59.309 58.200 -0.497 0.000 0.981 289 S CB -1.143 61.982 63.200 -0.125 0.000 0.818 289 S HN 0.188 nan 8.310 nan 0.000 0.472 290 V N 2.680 122.289 119.914 -0.508 0.000 2.307 290 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 290 V C 2.551 178.467 176.094 -0.297 0.000 1.045 290 V CA 2.110 64.173 62.300 -0.395 0.000 1.024 290 V CB -0.968 30.619 31.823 -0.393 0.000 0.651 290 V HN 0.400 nan 8.190 nan 0.000 0.449 291 D N 0.304 120.536 120.400 -0.280 0.000 2.106 291 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 291 D C 2.177 178.377 176.300 -0.167 0.000 0.997 291 D CA 1.370 55.292 54.000 -0.131 0.000 0.834 291 D CB -0.402 40.290 40.800 -0.180 0.000 0.956 291 D HN 0.308 nan 8.370 nan 0.000 0.448 292 L N 0.487 121.409 121.223 -0.503 0.000 1.971 292 L HA -0.256 4.084 4.340 -0.000 0.000 0.215 292 L C 2.281 179.150 176.870 -0.001 0.000 1.072 292 L CA 1.617 56.278 54.840 -0.299 0.000 0.758 292 L CB -0.437 41.325 42.059 -0.495 0.000 0.889 292 L HN 0.012 nan 8.230 nan 0.000 0.433 293 D N -0.254 120.087 120.400 -0.098 0.000 2.104 293 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 293 D C 1.755 178.051 176.300 -0.006 0.000 0.994 293 D CA 1.514 55.493 54.000 -0.033 0.000 0.830 293 D CB 0.004 40.754 40.800 -0.083 0.000 0.959 293 D HN 0.249 nan 8.370 nan 0.000 0.452 294 D N -1.241 119.132 120.400 -0.045 0.000 2.149 294 D HA -0.149 4.490 4.640 -0.000 0.000 0.201 294 D C 1.767 178.060 176.300 -0.011 0.000 0.972 294 D CA 0.541 54.541 54.000 0.000 0.000 0.835 294 D CB -0.503 40.273 40.800 -0.039 0.000 0.966 294 D HN 0.356 nan 8.370 nan 0.000 0.476 295 Y N 0.370 120.538 120.300 -0.221 0.000 2.145 295 Y HA -0.278 4.271 4.550 -0.000 0.000 0.286 295 Y C 1.816 177.437 175.900 -0.465 0.000 1.145 295 Y CA 1.555 59.272 58.100 -0.637 0.000 1.148 295 Y CB -0.452 37.573 38.460 -0.726 0.000 0.981 295 Y HN -0.063 nan 8.280 nan 0.000 0.507 296 Y N -0.741 119.438 120.300 -0.201 0.000 2.475 296 Y HA -0.054 4.495 4.550 -0.000 0.000 0.289 296 Y C 2.527 178.335 175.900 -0.154 0.000 1.121 296 Y CA 1.224 59.206 58.100 -0.197 0.000 1.257 296 Y CB -0.118 38.310 38.460 -0.053 0.000 1.026 296 Y HN 0.107 nan 8.280 nan 0.000 0.555 297 S N -0.720 114.995 115.700 0.025 0.000 2.468 297 S HA -0.006 4.464 4.470 -0.000 0.000 0.226 297 S C 1.255 175.927 174.600 0.119 0.000 1.051 297 S CA 0.770 59.002 58.200 0.052 0.000 0.943 297 S CB 0.073 63.300 63.200 0.046 0.000 0.810 297 S HN 0.395 nan 8.310 nan 0.000 0.509 298 N N 0.130 118.844 118.700 0.023 0.000 2.181 298 N HA 0.308 5.048 4.740 -0.000 0.000 0.207 298 N C 0.292 175.763 175.510 -0.066 0.000 1.182 298 N CA 0.139 53.225 53.050 0.060 0.000 0.893 298 N CB 1.022 39.585 38.487 0.126 0.000 1.032 298 N HN 0.236 nan 8.380 nan 0.000 0.513 299 S N -0.750 114.782 115.700 -0.280 0.000 3.137 299 S HA 0.667 5.136 4.470 -0.000 0.000 0.292 299 S C 0.613 174.868 174.600 -0.576 0.000 1.041 299 S CA 0.123 58.072 58.200 -0.419 0.000 0.956 299 S CB 0.548 63.345 63.200 -0.672 0.000 1.360 299 S HN 0.004 nan 8.310 nan 0.000 0.690 300 A N 0.129 122.541 122.820 -0.680 0.000 2.172 300 A HA 0.182 4.502 4.320 -0.000 0.000 0.216 300 A C 1.849 179.076 177.584 -0.596 0.000 1.154 300 A CA 1.675 53.431 52.037 -0.469 0.000 0.701 300 A CB -1.395 17.489 19.000 -0.193 0.000 0.789 300 A HN 0.912 nan 8.150 nan 0.000 0.465 301 G N -0.552 107.511 108.800 -1.228 0.000 2.484 301 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 301 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 301 G C 0.755 175.522 174.900 -0.221 0.000 1.130 301 G CA 0.264 44.916 45.100 -0.746 0.000 0.784 301 G HN 0.480 nan 8.290 nan 0.000 0.543 302 N N 1.027 119.584 118.700 -0.239 0.000 2.422 302 N HA 0.039 4.779 4.740 -0.000 0.000 0.266 302 N C 0.717 176.203 175.510 -0.040 0.000 1.007 302 N CA -0.403 52.620 53.050 -0.045 0.000 0.941 302 N CB 1.013 39.532 38.487 0.055 0.000 1.115 302 N HN 0.149 nan 8.380 nan 0.000 0.492 303 N N 3.886 122.585 118.700 -0.002 0.000 2.571 303 N HA -0.066 4.673 4.740 -0.000 0.000 0.189 303 N C 0.713 176.220 175.510 -0.004 0.000 1.154 303 N CA 0.838 53.882 53.050 -0.011 0.000 0.907 303 N CB 0.066 38.553 38.487 0.000 0.000 0.977 303 N HN 0.490 nan 8.380 nan 0.000 0.449 304 M N -0.084 119.532 119.600 0.027 0.000 2.382 304 M HA 0.138 4.618 4.480 -0.000 0.000 0.247 304 M C 1.224 177.463 176.300 -0.102 0.000 1.104 304 M CA 0.607 55.914 55.300 0.012 0.000 1.030 304 M CB -0.366 32.321 32.600 0.144 0.000 1.424 304 M HN 0.398 nan 8.290 nan 0.000 0.486 305 T N -2.251 112.231 114.554 -0.121 0.000 2.985 305 T HA -0.063 4.286 4.350 -0.000 0.000 0.266 305 T C 1.899 176.532 174.700 -0.112 0.000 1.076 305 T CA 0.739 62.724 62.100 -0.191 0.000 1.135 305 T CB -0.127 68.640 68.868 -0.169 0.000 0.890 305 T HN 0.135 nan 8.240 nan 0.000 0.480 306 R N 1.232 121.683 120.500 -0.081 0.000 2.083 306 R HA -0.006 4.333 4.340 -0.000 0.000 0.237 306 R C 2.407 178.685 176.300 -0.037 0.000 1.137 306 R CA 1.756 57.823 56.100 -0.055 0.000 0.951 306 R CB -1.294 28.974 30.300 -0.052 0.000 0.851 306 R HN 0.347 nan 8.270 nan 0.000 0.434 307 V N -0.024 119.869 119.914 -0.035 0.000 2.358 307 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 307 V C 2.037 178.162 176.094 0.051 0.000 1.047 307 V CA 2.009 64.311 62.300 0.003 0.000 1.035 307 V CB -0.233 31.585 31.823 -0.008 0.000 0.658 307 V HN 0.402 nan 8.190 nan 0.000 0.452 308 I N 0.887 121.457 120.570 -0.000 0.000 2.252 308 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 308 I C 2.620 178.734 176.117 -0.005 0.000 1.102 308 I CA 1.619 62.945 61.300 0.042 0.000 1.385 308 I CB -0.961 36.972 38.000 -0.112 0.000 1.064 308 I HN 0.426 nan 8.210 nan 0.000 0.414 309 G N -0.300 108.490 108.800 -0.018 0.000 2.432 309 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.219 309 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.219 309 G C 1.727 176.651 174.900 0.040 0.000 1.135 309 G CA 0.897 46.022 45.100 0.040 0.000 0.767 309 G HN 0.368 nan 8.290 nan 0.000 0.550 310 S N 0.422 116.127 115.700 0.008 0.000 2.453 310 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 310 S C 2.683 177.248 174.600 -0.059 0.000 1.005 310 S CA 1.602 59.798 58.200 -0.007 0.000 0.949 310 S CB -0.349 62.842 63.200 -0.015 0.000 0.774 310 S HN 0.751 nan 8.310 nan 0.000 0.510 311 T N 1.467 115.961 114.554 -0.100 0.000 2.684 311 T HA -0.035 4.314 4.350 -0.000 0.000 0.267 311 T C 1.675 176.248 174.700 -0.213 0.000 1.036 311 T CA 1.058 63.053 62.100 -0.175 0.000 1.148 311 T CB -0.628 68.072 68.868 -0.280 0.000 0.863 311 T HN 0.322 nan 8.240 nan 0.000 0.436 312 L N -0.164 120.849 121.223 -0.350 0.000 2.240 312 L HA 0.200 4.540 4.340 -0.000 0.000 0.211 312 L C 2.600 179.195 176.870 -0.458 0.000 1.106 312 L CA 0.294 54.782 54.840 -0.587 0.000 0.793 312 L CB -0.509 40.829 42.059 -1.202 0.000 0.927 312 L HN 0.208 nan 8.230 nan 0.000 0.446 313 L N 0.346 121.489 121.223 -0.133 0.000 2.017 313 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 313 L C 2.271 179.191 176.870 0.084 0.000 1.073 313 L CA 1.778 56.750 54.840 0.219 0.000 0.745 313 L CB -0.685 41.510 42.059 0.226 0.000 0.894 313 L HN 0.242 nan 8.230 nan 0.000 0.432 314 N N 0.005 118.704 118.700 -0.003 0.000 2.069 314 N HA -0.165 4.574 4.740 -0.000 0.000 0.191 314 N C 1.814 177.332 175.510 0.014 0.000 1.031 314 N CA 1.755 54.796 53.050 -0.014 0.000 0.852 314 N CB -0.596 37.861 38.487 -0.049 0.000 1.018 314 N HN 0.517 nan 8.380 nan 0.000 0.423 315 A N 0.199 123.025 122.820 0.010 0.000 1.898 315 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 315 A C 2.427 180.046 177.584 0.058 0.000 1.181 315 A CA 2.026 54.138 52.037 0.124 0.000 0.620 315 A CB -0.983 18.073 19.000 0.094 0.000 0.819 315 A HN 0.373 nan 8.150 nan 0.000 0.442 316 S N -0.518 115.192 115.700 0.017 0.000 2.370 316 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 316 S C 1.973 176.620 174.600 0.079 0.000 1.033 316 S CA 1.694 59.918 58.200 0.040 0.000 1.011 316 S CB -0.490 62.849 63.200 0.233 0.000 0.852 316 S HN 0.523 nan 8.310 nan 0.000 0.457 317 L N 1.810 123.122 121.223 0.148 0.000 2.046 317 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 317 L C 2.297 179.244 176.870 0.128 0.000 1.077 317 L CA 2.138 57.083 54.840 0.176 0.000 0.747 317 L CB -0.996 41.130 42.059 0.112 0.000 0.896 317 L HN 0.390 nan 8.230 nan 0.000 0.432 318 E N -0.395 119.865 120.200 0.099 0.000 2.097 318 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 318 E C 2.244 178.966 176.600 0.203 0.000 1.000 318 E CA 1.782 58.249 56.400 0.111 0.000 0.804 318 E CB -0.384 29.277 29.700 -0.065 0.000 0.740 318 E HN 0.524 nan 8.360 nan 0.000 0.454 319 L N 0.625 121.905 121.223 0.094 0.000 2.046 319 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 319 L C 2.503 179.409 176.870 0.060 0.000 1.077 319 L CA 0.890 55.678 54.840 -0.086 0.000 0.747 319 L CB -0.406 41.230 42.059 -0.705 0.000 0.896 319 L HN 0.171 nan 8.230 nan 0.000 0.432 320 L N -0.328 120.934 121.223 0.065 0.000 2.012 320 L HA -0.263 4.076 4.340 -0.000 0.000 0.210 320 L C 2.001 178.937 176.870 0.111 0.000 1.073 320 L CA 1.802 56.696 54.840 0.089 0.000 0.748 320 L CB -0.642 41.479 42.059 0.103 0.000 0.891 320 L HN 0.391 nan 8.230 nan 0.000 0.431 321 N N -1.800 116.985 118.700 0.142 0.000 2.512 321 N HA -0.094 4.645 4.740 -0.000 0.000 0.183 321 N C -0.098 175.391 175.510 -0.035 0.000 1.073 321 N CA 0.150 53.236 53.050 0.060 0.000 0.911 321 N CB 0.098 38.607 38.487 0.036 0.000 0.964 321 N HN 0.343 nan 8.380 nan 0.000 0.447 322 H N 0.267 119.373 119.070 0.060 0.000 2.680 322 H HA 0.075 4.631 4.556 -0.000 0.000 0.260 322 H C 0.186 175.584 175.328 0.115 0.000 1.328 322 H CA -0.649 55.448 56.048 0.082 0.000 1.269 322 H CB 0.236 30.062 29.762 0.108 0.000 1.446 322 H HN 0.234 nan 8.280 nan 0.000 0.527 323 D N 1.153 121.625 120.400 0.121 0.000 2.371 323 D HA -0.116 4.524 4.640 -0.000 0.000 0.221 323 D C 0.790 177.169 176.300 0.133 0.000 0.986 323 D CA 0.482 54.553 54.000 0.119 0.000 0.899 323 D CB 0.396 41.234 40.800 0.064 0.000 0.902 323 D HN 0.390 nan 8.370 nan 0.000 0.530 324 K N 0.042 120.531 120.400 0.148 0.000 2.374 324 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 324 K C 0.685 177.387 176.600 0.169 0.000 1.023 324 K CA -0.507 55.860 56.287 0.134 0.000 1.103 324 K CB 0.249 32.811 32.500 0.102 0.000 0.848 324 K HN -0.031 nan 8.250 nan 0.000 0.528 325 N N 2.273 121.116 118.700 0.238 0.000 2.447 325 N HA -0.108 4.632 4.740 -0.000 0.000 0.263 325 N C 0.826 176.465 175.510 0.216 0.000 1.226 325 N CA 0.508 53.727 53.050 0.282 0.000 0.906 325 N CB 1.337 40.083 38.487 0.431 0.000 1.060 325 N HN 0.076 nan 8.380 nan 0.000 0.468 326 E N 3.390 123.693 120.200 0.171 0.000 2.118 326 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 326 E C -0.058 176.588 176.600 0.078 0.000 0.992 326 E CA 1.223 57.686 56.400 0.105 0.000 0.804 326 E CB -0.080 29.668 29.700 0.081 0.000 0.741 326 E HN 0.659 nan 8.360 nan 0.000 0.458 327 N N -0.012 118.740 118.700 0.086 0.000 2.444 327 N HA 0.052 4.792 4.740 -0.000 0.000 0.271 327 N C -0.232 175.196 175.510 -0.135 0.000 1.069 327 N CA -0.153 52.842 53.050 -0.091 0.000 0.965 327 N CB 0.623 38.953 38.487 -0.260 0.000 1.092 327 N HN -0.112 nan 8.380 nan 0.000 0.476 328 K N 3.212 123.510 120.400 -0.170 0.000 2.402 328 K HA 0.273 4.593 4.320 -0.000 0.000 0.204 328 K C -0.329 176.128 176.600 -0.238 0.000 1.056 328 K CA 0.083 56.335 56.287 -0.059 0.000 1.069 328 K CB 0.675 33.217 32.500 0.069 0.000 0.888 328 K HN 0.549 nan 8.250 nan 0.000 0.546 329 I N 0.915 121.149 120.570 -0.560 0.000 2.411 329 I HA 0.262 4.432 4.170 -0.000 0.000 0.284 329 I C -1.216 174.413 176.117 -0.813 0.000 1.012 329 I CA -0.810 60.236 61.300 -0.423 0.000 1.119 329 I CB 0.992 38.941 38.000 -0.084 0.000 1.261 329 I HN -0.085 nan 8.210 nan 0.000 0.448 330 W N 7.597 128.801 121.300 -0.160 0.000 2.294 330 W HA 0.577 5.236 4.660 -0.000 0.000 0.314 330 W C -0.771 175.505 176.519 -0.405 0.000 1.044 330 W CA -0.491 56.680 57.345 -0.289 0.000 1.284 330 W CB 0.952 30.095 29.460 -0.529 0.000 1.231 330 W HN 0.177 nan 8.180 nan 0.000 0.419 331 L N 4.251 125.396 121.223 -0.131 0.000 2.295 331 L HA 0.490 4.829 4.340 -0.000 0.000 0.281 331 L C -0.081 176.635 176.870 -0.256 0.000 1.018 331 L CA -0.427 54.161 54.840 -0.421 0.000 0.841 331 L CB 0.884 42.708 42.059 -0.392 0.000 1.218 331 L HN 0.245 nan 8.230 nan 0.000 0.424 332 S N 2.905 118.229 115.700 -0.626 0.000 2.502 332 S HA 0.736 5.206 4.470 -0.000 0.000 0.304 332 S C -0.782 173.439 174.600 -0.632 0.000 1.097 332 S CA -0.444 57.550 58.200 -0.344 0.000 1.045 332 S CB 1.208 64.269 63.200 -0.233 0.000 1.019 332 S HN 0.249 nan 8.310 nan 0.000 0.481 333 F N 1.133 121.035 119.950 -0.080 0.000 2.520 333 F HA 0.768 5.294 4.527 -0.000 0.000 0.322 333 F C 0.720 176.503 175.800 -0.029 0.000 1.103 333 F CA -0.438 57.518 58.000 -0.073 0.000 0.926 333 F CB 2.430 41.358 39.000 -0.121 0.000 1.154 333 F HN 0.578 nan 8.300 nan 0.000 0.453 334 T N 0.030 114.663 114.554 0.131 0.000 2.646 334 T HA 0.385 4.734 4.350 -0.000 0.000 0.297 334 T C -1.581 173.115 174.700 -0.005 0.000 1.363 334 T CA -0.602 61.532 62.100 0.057 0.000 1.056 334 T CB 0.484 69.436 68.868 0.141 0.000 1.779 334 T HN 0.611 nan 8.240 nan 0.000 0.459 335 H N 0.797 119.991 119.070 0.206 0.000 2.544 335 H HA 0.336 4.892 4.556 -0.000 0.000 0.342 335 H C 0.922 176.344 175.328 0.155 0.000 1.185 335 H CA 0.133 56.312 56.048 0.217 0.000 1.264 335 H CB 0.903 30.810 29.762 0.242 0.000 1.607 335 H HN 0.714 nan 8.280 nan 0.000 0.550 336 D N 0.046 120.610 120.400 0.273 0.000 2.149 336 D HA -0.207 4.432 4.640 -0.000 0.000 0.194 336 D C 1.413 177.867 176.300 0.257 0.000 1.001 336 D CA 2.112 56.243 54.000 0.218 0.000 0.849 336 D CB -1.073 39.871 40.800 0.239 0.000 0.939 336 D HN 0.512 nan 8.370 nan 0.000 0.449 337 T N 0.746 115.468 114.554 0.280 0.000 2.746 337 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 337 T C 1.346 176.169 174.700 0.205 0.000 1.039 337 T CA 1.561 63.801 62.100 0.234 0.000 1.142 337 T CB -0.298 68.688 68.868 0.197 0.000 0.866 337 T HN 0.264 nan 8.240 nan 0.000 0.444 338 D N 0.951 121.484 120.400 0.221 0.000 2.144 338 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 338 D C 2.085 178.523 176.300 0.230 0.000 0.978 338 D CA 0.882 54.995 54.000 0.188 0.000 0.833 338 D CB -0.144 40.777 40.800 0.202 0.000 0.961 338 D HN 0.377 nan 8.370 nan 0.000 0.470 339 I N 0.926 121.657 120.570 0.268 0.000 2.353 339 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 339 I C 2.551 178.872 176.117 0.340 0.000 1.119 339 I CA 0.764 62.268 61.300 0.340 0.000 1.417 339 I CB -0.074 38.095 38.000 0.281 0.000 1.078 339 I HN -0.065 nan 8.210 nan 0.000 0.421 340 E N 1.504 121.856 120.200 0.253 0.000 2.072 340 E HA -0.197 4.152 4.350 -0.000 0.000 0.191 340 E C 2.302 179.034 176.600 0.220 0.000 0.985 340 E CA 1.188 57.734 56.400 0.242 0.000 0.801 340 E CB 0.055 29.913 29.700 0.265 0.000 0.750 340 E HN 0.419 nan 8.360 nan 0.000 0.452 341 I N 0.582 121.252 120.570 0.166 0.000 2.252 341 I HA -0.215 3.954 4.170 -0.000 0.000 0.245 341 I C 2.216 178.422 176.117 0.149 0.000 1.102 341 I CA 0.475 61.825 61.300 0.082 0.000 1.385 341 I CB -0.295 37.694 38.000 -0.018 0.000 1.064 341 I HN 0.228 nan 8.210 nan 0.000 0.414 342 F N 1.696 121.638 119.950 -0.013 0.000 2.120 342 F HA -0.299 4.228 4.527 -0.000 0.000 0.300 342 F C 2.630 178.361 175.800 -0.115 0.000 1.095 342 F CA 1.837 59.780 58.000 -0.095 0.000 1.249 342 F CB -0.969 37.941 39.000 -0.150 0.000 0.995 342 F HN 0.207 nan 8.300 nan 0.000 0.480 343 H N -1.311 117.731 119.070 -0.045 0.000 2.457 343 H HA -0.097 4.459 4.556 -0.000 0.000 0.294 343 H C 2.561 177.857 175.328 -0.055 0.000 1.064 343 H CA 1.276 57.235 56.048 -0.149 0.000 1.330 343 H CB -0.243 29.472 29.762 -0.078 0.000 1.395 343 H HN 0.287 nan 8.280 nan 0.000 0.541 344 S N 0.153 115.908 115.700 0.091 0.000 2.382 344 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 344 S C 2.347 176.940 174.600 -0.012 0.000 1.027 344 S CA 1.004 59.213 58.200 0.015 0.000 0.991 344 S CB -0.075 63.099 63.200 -0.044 0.000 0.823 344 S HN 0.523 nan 8.310 nan 0.000 0.469 345 A N 1.028 123.847 122.820 -0.003 0.000 1.930 345 A HA 0.156 4.476 4.320 -0.000 0.000 0.215 345 A C 2.043 179.595 177.584 -0.054 0.000 1.176 345 A CA 0.970 52.998 52.037 -0.015 0.000 0.632 345 A CB -0.610 18.416 19.000 0.045 0.000 0.819 345 A HN 0.591 nan 8.150 nan 0.000 0.445 346 I N -0.691 119.793 120.570 -0.142 0.000 2.163 346 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 346 I C 1.965 178.063 176.117 -0.031 0.000 1.085 346 I CA 1.400 62.569 61.300 -0.218 0.000 1.347 346 I CB -0.504 37.051 38.000 -0.743 0.000 1.044 346 I HN 0.505 nan 8.210 nan 0.000 0.408 347 G N 1.032 109.819 108.800 -0.022 0.000 2.136 347 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 347 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 347 G C 0.817 175.774 174.900 0.096 0.000 0.989 347 G CA 0.496 45.642 45.100 0.076 0.000 0.682 347 G HN 0.623 nan 8.290 nan 0.000 0.522 348 I N -3.108 117.471 120.570 0.014 0.000 3.645 348 I HA 0.505 4.675 4.170 -0.000 0.000 0.300 348 I C 1.460 177.613 176.117 0.059 0.000 1.260 348 I CA 0.481 61.781 61.300 -0.001 0.000 1.365 348 I CB 0.119 38.040 38.000 -0.132 0.000 1.077 348 I HN 0.116 nan 8.210 nan 0.000 0.439 349 L N 2.265 123.549 121.223 0.103 0.000 3.289 349 L HA 0.438 4.778 4.340 -0.000 0.000 0.291 349 L C -0.589 176.391 176.870 0.184 0.000 1.279 349 L CA -0.214 54.683 54.840 0.094 0.000 1.025 349 L CB 0.959 43.017 42.059 -0.002 0.000 1.413 349 L HN 0.088 nan 8.230 nan 0.000 0.593 350 I N 1.861 122.544 120.570 0.188 0.000 2.354 350 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 350 I C -1.909 174.302 176.117 0.157 0.000 0.989 350 I CA -2.407 59.032 61.300 0.232 0.000 1.188 350 I CB 1.144 39.241 38.000 0.161 0.000 1.342 350 I HN -0.065 nan 8.210 nan 0.000 0.457 351 P HA 0.219 nan 4.420 nan 0.000 0.274 351 P C 0.128 177.458 177.300 0.050 0.000 1.237 351 P CA -0.224 62.904 63.100 0.047 0.000 0.793 351 P CB 1.433 33.093 31.700 -0.067 0.000 0.977 352 D N 0.150 120.570 120.400 0.033 0.000 2.178 352 D HA -0.068 4.571 4.640 -0.000 0.000 0.202 352 D C 0.320 176.644 176.300 0.039 0.000 0.974 352 D CA 1.405 55.428 54.000 0.038 0.000 0.841 352 D CB 0.471 41.289 40.800 0.030 0.000 0.953 352 D HN 0.556 nan 8.370 nan 0.000 0.478 353 E N 0.877 121.088 120.200 0.018 0.000 2.263 353 E HA 0.198 4.548 4.350 -0.000 0.000 0.264 353 E C -0.791 175.796 176.600 -0.021 0.000 0.923 353 E CA -0.867 55.548 56.400 0.025 0.000 0.802 353 E CB 1.519 31.236 29.700 0.028 0.000 1.228 353 E HN -0.130 nan 8.360 nan 0.000 0.417 354 D N 1.137 121.566 120.400 0.048 0.000 2.449 354 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 354 D C -0.283 175.938 176.300 -0.132 0.000 1.149 354 D CA 0.041 54.058 54.000 0.029 0.000 0.878 354 D CB 0.473 41.432 40.800 0.265 0.000 1.198 354 D HN 0.080 nan 8.370 nan 0.000 0.446 355 L N 4.154 125.117 121.223 -0.432 0.000 2.490 355 L HA 0.156 4.496 4.340 -0.000 0.000 0.274 355 L C -1.642 175.293 176.870 0.109 0.000 1.201 355 L CA -0.732 53.983 54.840 -0.210 0.000 0.869 355 L CB -0.408 41.445 42.059 -0.342 0.000 1.123 355 L HN 0.274 nan 8.230 nan 0.000 0.484 356 P HA 0.128 nan 4.420 nan 0.000 0.277 356 P C 0.208 177.563 177.300 0.092 0.000 1.240 356 P CA -0.264 62.864 63.100 0.046 0.000 0.798 356 P CB 1.466 33.066 31.700 -0.166 0.000 0.979 357 V N -2.128 117.873 119.914 0.144 0.000 3.502 357 V HA 0.114 4.234 4.120 -0.000 0.000 0.288 357 V C 1.163 177.430 176.094 0.289 0.000 1.461 357 V CA 0.692 63.141 62.300 0.248 0.000 1.029 357 V CB -0.353 31.568 31.823 0.165 0.000 0.843 357 V HN 0.478 nan 8.190 nan 0.000 0.438 358 D N 0.628 121.167 120.400 0.232 0.000 2.339 358 D HA 0.100 4.740 4.640 -0.000 0.000 0.217 358 D C 0.476 176.982 176.300 0.343 0.000 1.050 358 D CA 0.388 54.538 54.000 0.250 0.000 0.856 358 D CB 0.060 40.996 40.800 0.227 0.000 0.922 358 D HN 0.762 nan 8.370 nan 0.000 0.518 359 Y N -2.434 117.966 120.300 0.167 0.000 2.689 359 Y HA 0.527 5.077 4.550 -0.000 0.000 0.333 359 Y C -1.102 174.881 175.900 0.139 0.000 1.208 359 Y CA -1.395 56.782 58.100 0.127 0.000 1.055 359 Y CB 0.720 39.222 38.460 0.070 0.000 1.304 359 Y HN -0.315 nan 8.280 nan 0.000 0.455 360 T N 4.620 119.210 114.554 0.060 0.000 2.728 360 T HA 0.397 4.747 4.350 -0.000 0.000 0.296 360 T C -2.704 171.729 174.700 -0.445 0.000 0.940 360 T CA -1.206 60.673 62.100 -0.367 0.000 1.013 360 T CB 0.712 69.499 68.868 -0.135 0.000 0.912 360 T HN 0.391 nan 8.240 nan 0.000 0.484 361 P HA 0.496 nan 4.420 nan 0.000 0.282 361 P C -1.149 175.806 177.300 -0.576 0.000 1.249 361 P CA -0.685 62.157 63.100 -0.430 0.000 0.806 361 P CB 0.656 32.058 31.700 -0.497 0.000 0.984 362 F N 2.191 122.091 119.950 -0.083 0.000 2.553 362 F HA 0.335 4.862 4.527 -0.000 0.000 0.335 362 F C -1.234 174.544 175.800 -0.037 0.000 1.148 362 F CA -1.404 56.554 58.000 -0.070 0.000 0.963 362 F CB 1.132 40.105 39.000 -0.045 0.000 1.217 362 F HN 0.239 nan 8.300 nan 0.000 0.441 363 P HA 0.200 nan 4.420 nan 0.000 0.277 363 P C -0.388 176.817 177.300 -0.159 0.000 1.271 363 P CA -0.524 62.567 63.100 -0.014 0.000 0.795 363 P CB 1.018 32.717 31.700 -0.002 0.000 1.101 364 S N 0.534 116.111 115.700 -0.207 0.000 2.544 364 S HA 0.082 4.552 4.470 -0.000 0.000 0.290 364 S C -1.422 173.143 174.600 -0.057 0.000 1.276 364 S CA -0.942 57.181 58.200 -0.128 0.000 1.075 364 S CB -0.325 62.891 63.200 0.028 0.000 0.849 364 S HN 0.206 nan 8.310 nan 0.000 0.494 365 P HA 0.026 nan 4.420 nan 0.000 0.228 365 P C -0.690 176.615 177.300 0.008 0.000 1.151 365 P CA 0.866 63.942 63.100 -0.041 0.000 0.770 365 P CB -0.036 31.611 31.700 -0.088 0.000 0.786 366 Y N -0.293 119.925 120.300 -0.137 0.000 2.331 366 Y HA 0.531 5.081 4.550 -0.000 0.000 0.326 366 Y C -0.789 175.077 175.900 -0.057 0.000 1.020 366 Y CA -1.397 56.638 58.100 -0.108 0.000 1.136 366 Y CB 1.408 39.766 38.460 -0.170 0.000 1.157 366 Y HN -0.387 nan 8.280 nan 0.000 0.444 367 S N 4.827 120.177 115.700 -0.583 0.000 2.474 367 S HA 0.160 4.630 4.470 -0.000 0.000 0.320 367 S C 0.725 174.934 174.600 -0.652 0.000 1.067 367 S CA -0.345 57.580 58.200 -0.460 0.000 1.127 367 S CB -0.046 62.978 63.200 -0.294 0.000 0.971 367 S HN 0.988 nan 8.310 nan 0.000 0.472 368 H N 4.540 123.271 119.070 -0.565 0.000 2.321 368 H HA -0.018 4.537 4.556 -0.000 0.000 0.300 368 H C 1.789 176.966 175.328 -0.252 0.000 1.087 368 H CA 2.423 58.243 56.048 -0.381 0.000 1.319 368 H CB -0.203 29.506 29.762 -0.087 0.000 1.379 368 H HN 0.470 nan 8.280 nan 0.000 0.501 369 V N 0.536 120.282 119.914 -0.280 0.000 2.867 369 V HA -0.072 4.048 4.120 -0.000 0.000 0.260 369 V C 2.221 178.117 176.094 -0.329 0.000 1.099 369 V CA 1.788 63.916 62.300 -0.288 0.000 1.122 369 V CB -0.833 30.890 31.823 -0.167 0.000 0.708 369 V HN 0.709 nan 8.190 nan 0.000 0.490 370 G N -0.752 107.839 108.800 -0.348 0.000 2.572 370 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.216 370 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.216 370 G C 1.335 176.037 174.900 -0.331 0.000 1.133 370 G CA 0.875 45.782 45.100 -0.323 0.000 0.791 370 G HN 0.566 nan 8.290 nan 0.000 0.538 371 I N 0.233 120.554 120.570 -0.415 0.000 2.899 371 I HA 0.104 4.273 4.170 -0.000 0.000 0.257 371 I C 1.082 177.002 176.117 -0.328 0.000 1.115 371 I CA 1.096 62.129 61.300 -0.445 0.000 1.451 371 I CB 0.413 38.076 38.000 -0.562 0.000 1.251 371 I HN 0.135 nan 8.210 nan 0.000 0.456 372 T N 0.374 114.680 114.554 -0.413 0.000 3.401 372 T HA 0.407 4.756 4.350 -0.000 0.000 0.341 372 T C -2.539 172.022 174.700 -0.233 0.000 1.674 372 T CA -1.839 60.096 62.100 -0.273 0.000 1.600 372 T CB 0.480 69.228 68.868 -0.201 0.000 0.974 372 T HN -0.081 nan 8.240 nan 0.000 0.672 373 P HA 0.172 nan 4.420 nan 0.000 0.275 373 P C -0.256 177.065 177.300 0.035 0.000 1.266 373 P CA -0.423 62.637 63.100 -0.066 0.000 0.793 373 P CB 0.725 32.362 31.700 -0.105 0.000 1.074 374 Q N -0.262 119.574 119.800 0.061 0.000 2.315 374 Q HA 0.153 4.493 4.340 -0.000 0.000 0.289 374 Q C 1.384 177.478 176.000 0.156 0.000 1.044 374 Q CA 1.500 57.359 55.803 0.093 0.000 0.920 374 Q CB -0.564 28.241 28.738 0.111 0.000 1.214 374 Q HN 0.929 nan 8.270 nan 0.000 0.392 375 G N 1.230 110.073 108.800 0.073 0.000 2.160 375 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 375 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 375 G C 0.405 175.297 174.900 -0.013 0.000 1.008 375 G CA 0.186 45.298 45.100 0.021 0.000 0.724 375 G HN 0.946 nan 8.290 nan 0.000 0.514 376 A N 0.126 122.993 122.820 0.078 0.000 2.555 376 A HA 0.547 4.867 4.320 -0.000 0.000 0.233 376 A C 0.977 178.605 177.584 0.073 0.000 1.060 376 A CA 1.088 53.195 52.037 0.116 0.000 0.759 376 A CB 0.137 19.168 19.000 0.051 0.000 0.995 376 A HN 1.431 nan 8.150 nan 0.000 0.506 377 R N 1.092 121.661 120.500 0.116 0.000 2.515 377 R HA 0.543 4.883 4.340 -0.000 0.000 0.291 377 R C -1.591 174.835 176.300 0.210 0.000 1.046 377 R CA -0.435 55.748 56.100 0.140 0.000 0.914 377 R CB 1.019 31.376 30.300 0.095 0.000 1.191 377 R HN 0.411 nan 8.270 nan 0.000 0.435 378 T N 5.144 119.860 114.554 0.270 0.000 2.772 378 T HA 0.478 4.828 4.350 -0.000 0.000 0.288 378 T C -0.164 174.762 174.700 0.377 0.000 0.994 378 T CA -0.425 61.888 62.100 0.356 0.000 0.951 378 T CB 0.544 69.662 68.868 0.417 0.000 0.933 378 T HN 0.436 nan 8.240 nan 0.000 0.447 379 I N 4.369 125.133 120.570 0.323 0.000 2.474 379 I HA 0.509 4.678 4.170 -0.000 0.000 0.294 379 I C -0.473 175.705 176.117 0.101 0.000 1.005 379 I CA -0.954 60.492 61.300 0.243 0.000 1.113 379 I CB 2.004 40.172 38.000 0.280 0.000 1.289 379 I HN 0.460 nan 8.210 nan 0.000 0.436 380 I N 5.759 126.325 120.570 -0.006 0.000 2.355 380 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 380 I C -0.132 175.901 176.117 -0.141 0.000 0.999 380 I CA -0.467 60.681 61.300 -0.253 0.000 1.163 380 I CB 1.118 38.913 38.000 -0.343 0.000 1.316 380 I HN 0.509 nan 8.210 nan 0.000 0.454 381 E N 6.455 126.585 120.200 -0.116 0.000 2.249 381 E HA 0.345 4.695 4.350 -0.000 0.000 0.280 381 E C -0.611 175.913 176.600 -0.126 0.000 1.016 381 E CA -0.748 55.651 56.400 -0.001 0.000 0.830 381 E CB 2.149 31.975 29.700 0.209 0.000 1.081 381 E HN 0.358 nan 8.360 nan 0.000 0.395 382 K N 3.626 123.997 120.400 -0.050 0.000 2.345 382 K HA 0.349 4.669 4.320 -0.000 0.000 0.255 382 K C -1.721 174.900 176.600 0.035 0.000 0.934 382 K CA -0.605 55.604 56.287 -0.130 0.000 0.801 382 K CB 0.890 33.352 32.500 -0.062 0.000 1.137 382 K HN 0.536 nan 8.250 nan 0.000 0.424 383 Y N -0.167 120.190 120.300 0.095 0.000 2.571 383 Y HA 0.675 5.225 4.550 -0.000 0.000 0.341 383 Y C -1.142 174.850 175.900 0.153 0.000 1.076 383 Y CA -1.485 56.679 58.100 0.107 0.000 1.029 383 Y CB 1.180 39.694 38.460 0.089 0.000 1.308 383 Y HN 0.477 nan 8.280 nan 0.000 0.461 384 A N 1.115 124.141 122.820 0.343 0.000 2.310 384 A HA 0.714 5.034 4.320 -0.000 0.000 0.299 384 A C -1.034 176.735 177.584 0.307 0.000 1.147 384 A CA -0.493 51.712 52.037 0.280 0.000 0.818 384 A CB 0.214 19.311 19.000 0.161 0.000 1.096 384 A HN 0.903 nan 8.150 nan 0.000 0.495 385 c N 2.350 121.156 118.600 0.344 0.000 2.442 385 c HA 0.745 5.315 4.570 -0.000 0.000 0.335 385 c C 1.122 175.339 174.090 0.211 0.000 1.134 385 c CA -0.059 56.407 56.329 0.228 0.000 1.344 385 c CB -0.043 42.557 42.510 0.150 0.000 1.956 385 c HN 1.962 nan 8.230 nan 0.000 0.438 386 G N 4.484 113.357 108.800 0.120 0.000 2.574 386 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.286 386 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.286 386 G C 0.676 175.631 174.900 0.093 0.000 1.212 386 G CA 0.733 45.888 45.100 0.093 0.000 0.979 386 G HN 1.015 nan 8.290 nan 0.000 0.557 387 N N 2.008 120.754 118.700 0.077 0.000 2.313 387 N HA 0.136 4.876 4.740 -0.000 0.000 0.207 387 N C 0.014 175.542 175.510 0.030 0.000 1.141 387 N CA 0.984 54.062 53.050 0.048 0.000 0.830 387 N CB 0.267 38.773 38.487 0.031 0.000 1.008 387 N HN 0.720 nan 8.380 nan 0.000 0.481 388 E N -0.236 119.997 120.200 0.055 0.000 2.312 388 E HA 0.362 4.711 4.350 -0.000 0.000 0.267 388 E C -0.963 175.586 176.600 -0.085 0.000 0.894 388 E CA -0.695 55.660 56.400 -0.075 0.000 0.773 388 E CB 1.974 31.559 29.700 -0.191 0.000 1.241 388 E HN -0.048 nan 8.360 nan 0.000 0.432 389 S N 1.055 116.607 115.700 -0.246 0.000 2.525 389 S HA 0.578 5.048 4.470 -0.000 0.000 0.290 389 S C -1.014 173.318 174.600 -0.447 0.000 1.152 389 S CA -0.478 57.616 58.200 -0.176 0.000 1.072 389 S CB 0.355 63.499 63.200 -0.093 0.000 1.027 389 S HN 0.293 nan 8.310 nan 0.000 0.500 390 Y N 0.421 120.611 120.300 -0.182 0.000 2.570 390 Y HA 0.674 5.224 4.550 -0.000 0.000 0.345 390 Y C -0.177 175.406 175.900 -0.527 0.000 1.014 390 Y CA -0.976 56.938 58.100 -0.309 0.000 1.063 390 Y CB 1.462 39.751 38.460 -0.285 0.000 1.272 390 Y HN 0.290 nan 8.280 nan 0.000 0.477 391 V N 2.768 122.513 119.914 -0.283 0.000 2.656 391 V HA 0.704 4.824 4.120 -0.000 0.000 0.307 391 V C -0.828 175.056 176.094 -0.349 0.000 1.051 391 V CA -0.857 61.186 62.300 -0.427 0.000 0.893 391 V CB 2.120 33.591 31.823 -0.587 0.000 0.999 391 V HN 0.857 nan 8.190 nan 0.000 0.426 392 R N 2.907 123.209 120.500 -0.329 0.000 2.710 392 R HA 0.594 4.934 4.340 -0.000 0.000 0.270 392 R C -2.153 174.033 176.300 -0.189 0.000 1.021 392 R CA -0.875 55.140 56.100 -0.143 0.000 0.889 392 R CB 1.478 31.806 30.300 0.047 0.000 1.243 392 R HN 0.455 nan 8.270 nan 0.000 0.464 393 Y N 0.594 120.897 120.300 0.005 0.000 2.323 393 Y HA 0.457 5.007 4.550 -0.000 0.000 0.331 393 Y C -0.208 175.759 175.900 0.112 0.000 1.092 393 Y CA -0.461 57.668 58.100 0.049 0.000 1.150 393 Y CB 2.356 40.834 38.460 0.031 0.000 1.200 393 Y HN 0.258 nan 8.280 nan 0.000 0.472 394 V N 5.912 125.991 119.914 0.277 0.000 2.325 394 V HA 0.309 4.429 4.120 -0.000 0.000 0.280 394 V C -0.699 175.546 176.094 0.252 0.000 1.016 394 V CA -0.711 61.737 62.300 0.245 0.000 0.818 394 V CB 0.776 32.743 31.823 0.240 0.000 1.019 394 V HN 0.481 nan 8.190 nan 0.000 0.434 395 I N 3.782 124.476 120.570 0.207 0.000 2.330 395 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 395 I C 0.731 176.909 176.117 0.103 0.000 1.001 395 I CA -0.705 60.696 61.300 0.167 0.000 1.193 395 I CB 0.406 38.475 38.000 0.115 0.000 1.345 395 I HN 0.792 nan 8.210 nan 0.000 0.461 396 N N 5.415 124.201 118.700 0.144 0.000 2.705 396 N HA -0.225 4.515 4.740 -0.000 0.000 0.255 396 N C -0.402 175.195 175.510 0.145 0.000 1.008 396 N CA 0.722 53.886 53.050 0.191 0.000 0.742 396 N CB -0.848 37.684 38.487 0.075 0.000 0.906 396 N HN 0.659 nan 8.380 nan 0.000 0.541 397 D N -3.811 116.688 120.400 0.165 0.000 3.090 397 D HA -0.207 4.433 4.640 -0.000 0.000 0.215 397 D C -0.090 176.260 176.300 0.082 0.000 1.140 397 D CA 1.494 55.576 54.000 0.137 0.000 0.937 397 D CB -1.338 39.545 40.800 0.139 0.000 1.108 397 D HN 0.694 nan 8.370 nan 0.000 0.420 398 A N 0.144 123.002 122.820 0.063 0.000 2.355 398 A HA 0.615 4.935 4.320 -0.000 0.000 0.317 398 A C 0.224 177.871 177.584 0.105 0.000 1.094 398 A CA -0.511 51.546 52.037 0.033 0.000 0.764 398 A CB 1.781 20.733 19.000 -0.082 0.000 1.230 398 A HN 0.009 nan 8.150 nan 0.000 0.448 399 V N 3.714 123.714 119.914 0.144 0.000 2.521 399 V HA 0.120 4.240 4.120 -0.000 0.000 0.286 399 V C -0.127 176.122 176.094 0.259 0.000 1.034 399 V CA 0.191 62.615 62.300 0.207 0.000 1.045 399 V CB 0.447 32.405 31.823 0.225 0.000 0.974 399 V HN 0.594 nan 8.190 nan 0.000 0.480 400 I N 7.182 127.910 120.570 0.262 0.000 2.428 400 I HA 0.368 4.538 4.170 -0.000 0.000 0.279 400 I C -2.395 173.836 176.117 0.190 0.000 1.040 400 I CA -2.500 58.973 61.300 0.289 0.000 1.171 400 I CB 1.123 39.257 38.000 0.224 0.000 1.312 400 I HN 0.405 nan 8.210 nan 0.000 0.470 401 P HA 0.215 nan 4.420 nan 0.000 0.268 401 P C 0.070 177.360 177.300 -0.016 0.000 1.205 401 P CA -0.111 63.015 63.100 0.042 0.000 0.771 401 P CB 0.816 32.474 31.700 -0.069 0.000 0.858 402 I N 2.267 122.817 120.570 -0.034 0.000 2.496 402 I HA 0.058 4.228 4.170 -0.000 0.000 0.285 402 I C 1.269 177.303 176.117 -0.139 0.000 1.080 402 I CA -0.257 60.939 61.300 -0.174 0.000 1.404 402 I CB 0.261 38.045 38.000 -0.360 0.000 1.403 402 I HN 0.258 nan 8.210 nan 0.000 0.539 403 K N 7.282 127.616 120.400 -0.110 0.000 2.447 403 K HA -0.000 4.320 4.320 -0.000 0.000 0.281 403 K C 0.295 176.880 176.600 -0.025 0.000 1.031 403 K CA 0.178 56.434 56.287 -0.052 0.000 1.019 403 K CB 0.213 32.711 32.500 -0.003 0.000 0.918 403 K HN 0.581 nan 8.250 nan 0.000 0.476 404 K N 1.507 121.902 120.400 -0.008 0.000 3.472 404 K HA -0.192 4.127 4.320 -0.000 0.000 0.315 404 K C -0.875 175.743 176.600 0.031 0.000 1.320 404 K CA 1.177 57.478 56.287 0.024 0.000 0.962 404 K CB -2.063 30.464 32.500 0.045 0.000 1.251 404 K HN 0.655 nan 8.250 nan 0.000 0.443 405 C N 1.234 120.533 119.300 -0.002 0.000 3.414 405 C HA 0.318 4.778 4.460 -0.000 0.000 0.208 405 C C 0.666 175.688 174.990 0.054 0.000 1.422 405 C CA -0.237 58.794 59.018 0.022 0.000 1.437 405 C CB -0.060 27.667 27.740 -0.022 0.000 1.850 405 C HN 0.398 nan 8.230 nan 0.000 0.481 406 S N -1.922 113.839 115.700 0.101 0.000 3.073 406 S HA 0.098 4.568 4.470 -0.000 0.000 0.252 406 S C 0.622 175.349 174.600 0.211 0.000 0.953 406 S CA -0.114 58.196 58.200 0.183 0.000 1.105 406 S CB -0.004 63.313 63.200 0.194 0.000 1.070 406 S HN 0.352 nan 8.310 nan 0.000 0.574 407 S N 1.366 117.142 115.700 0.127 0.000 2.496 407 S HA 0.321 4.791 4.470 -0.000 0.000 0.224 407 S C 1.324 175.920 174.600 -0.007 0.000 0.996 407 S CA 0.396 58.637 58.200 0.069 0.000 0.927 407 S CB -0.075 63.177 63.200 0.086 0.000 0.774 407 S HN 0.815 nan 8.310 nan 0.000 0.524 408 G N 2.023 110.830 108.800 0.012 0.000 2.588 408 G HA2 0.439 4.399 3.960 -0.000 0.000 0.281 408 G HA3 0.439 4.399 3.960 -0.000 0.000 0.281 408 G C -3.019 171.655 174.900 -0.377 0.000 1.236 408 G CA -1.494 43.463 45.100 -0.239 0.000 0.969 408 G HN 0.068 nan 8.290 nan 0.000 0.504 409 P HA 0.194 nan 4.420 nan 0.000 0.265 409 P C 0.789 178.001 177.300 -0.147 0.000 1.193 409 P CA 1.413 64.313 63.100 -0.333 0.000 0.765 409 P CB 0.871 32.388 31.700 -0.305 0.000 0.823 410 G N 2.527 111.207 108.800 -0.200 0.000 2.198 410 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 410 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 410 G C 0.265 175.244 174.900 0.131 0.000 1.025 410 G CA -0.166 44.921 45.100 -0.021 0.000 0.769 410 G HN 0.454 nan 8.290 nan 0.000 0.507 411 F N -0.967 119.002 119.950 0.032 0.000 3.074 411 F HA -0.228 4.298 4.527 -0.000 0.000 0.287 411 F C 1.372 177.198 175.800 0.043 0.000 0.932 411 F CA 1.018 59.034 58.000 0.026 0.000 0.995 411 F CB -2.286 36.727 39.000 0.022 0.000 0.966 411 F HN 0.959 nan 8.300 nan 0.000 0.721 412 S N -1.664 114.115 115.700 0.132 0.000 2.707 412 S HA 0.699 5.169 4.470 -0.000 0.000 0.276 412 S C -0.051 174.644 174.600 0.159 0.000 1.179 412 S CA -0.483 57.785 58.200 0.114 0.000 0.992 412 S CB 2.267 65.500 63.200 0.055 0.000 1.030 412 S HN 0.489 nan 8.310 nan 0.000 0.554 413 C N 2.574 121.953 119.300 0.132 0.000 2.319 413 C HA 0.482 4.942 4.460 -0.000 0.000 0.323 413 C C 0.284 175.350 174.990 0.128 0.000 1.277 413 C CA -0.812 58.291 59.018 0.142 0.000 1.517 413 C CB -0.485 27.312 27.740 0.095 0.000 2.206 413 C HN 0.972 nan 8.230 nan 0.000 0.486 414 N N 3.387 122.145 118.700 0.095 0.000 2.292 414 N HA -0.092 4.648 4.740 -0.000 0.000 0.258 414 N C 0.908 176.350 175.510 -0.113 0.000 1.261 414 N CA 0.174 53.060 53.050 -0.274 0.000 0.845 414 N CB 0.545 38.900 38.487 -0.219 0.000 1.064 414 N HN 0.861 nan 8.380 nan 0.000 0.471 415 L N 5.134 126.251 121.223 -0.177 0.000 2.081 415 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 415 L C 1.716 178.611 176.870 0.041 0.000 1.080 415 L CA 1.718 56.547 54.840 -0.019 0.000 0.754 415 L CB -0.690 41.330 42.059 -0.065 0.000 0.893 415 L HN 0.584 nan 8.230 nan 0.000 0.433 416 N N 0.115 118.798 118.700 -0.029 0.000 2.069 416 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 416 N C 1.469 176.997 175.510 0.030 0.000 1.031 416 N CA 1.790 54.835 53.050 -0.008 0.000 0.852 416 N CB -0.535 37.932 38.487 -0.033 0.000 1.018 416 N HN 0.464 nan 8.380 nan 0.000 0.423 417 D N -0.284 120.143 120.400 0.045 0.000 2.178 417 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 417 D C 1.769 178.163 176.300 0.157 0.000 0.974 417 D CA 0.500 54.552 54.000 0.087 0.000 0.841 417 D CB -0.334 40.520 40.800 0.089 0.000 0.953 417 D HN 0.316 nan 8.370 nan 0.000 0.478 418 Y N 2.052 122.382 120.300 0.049 0.000 2.242 418 Y HA -0.109 4.441 4.550 -0.000 0.000 0.291 418 Y C 1.886 177.866 175.900 0.133 0.000 1.137 418 Y CA 1.091 59.255 58.100 0.106 0.000 1.181 418 Y CB -0.272 38.220 38.460 0.054 0.000 0.989 418 Y HN -0.093 nan 8.280 nan 0.000 0.527 419 N N 0.440 119.144 118.700 0.007 0.000 2.104 419 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 419 N C 1.165 176.623 175.510 -0.087 0.000 1.024 419 N CA 1.830 54.837 53.050 -0.071 0.000 0.853 419 N CB -0.285 38.193 38.487 -0.015 0.000 1.008 419 N HN 0.471 nan 8.380 nan 0.000 0.424 420 D N -0.220 120.166 120.400 -0.024 0.000 2.183 420 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 420 D C 1.769 178.050 176.300 -0.031 0.000 0.969 420 D CA 0.539 54.528 54.000 -0.019 0.000 0.842 420 D CB -0.430 40.382 40.800 0.019 0.000 0.957 420 D HN 0.344 nan 8.370 nan 0.000 0.484 421 Y N 1.791 122.019 120.300 -0.120 0.000 2.133 421 Y HA -0.214 4.335 4.550 -0.000 0.000 0.287 421 Y C 2.211 177.999 175.900 -0.187 0.000 1.134 421 Y CA 1.185 59.214 58.100 -0.119 0.000 1.133 421 Y CB -0.396 38.027 38.460 -0.062 0.000 0.987 421 Y HN -0.222 nan 8.280 nan 0.000 0.502 422 V N 0.691 120.381 119.914 -0.373 0.000 2.295 422 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 422 V C 2.731 178.660 176.094 -0.275 0.000 1.049 422 V CA 1.807 63.878 62.300 -0.383 0.000 1.024 422 V CB -1.721 29.870 31.823 -0.386 0.000 0.648 422 V HN 0.579 nan 8.190 nan 0.000 0.447 423 A N -0.080 122.618 122.820 -0.205 0.000 1.903 423 A HA -0.326 3.993 4.320 -0.000 0.000 0.219 423 A C 2.362 179.851 177.584 -0.157 0.000 1.191 423 A CA 2.312 54.263 52.037 -0.144 0.000 0.638 423 A CB -0.546 18.393 19.000 -0.101 0.000 0.823 423 A HN 0.583 nan 8.150 nan 0.000 0.451 424 E N -0.366 119.714 120.200 -0.200 0.000 2.107 424 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 424 E C 2.098 178.561 176.600 -0.229 0.000 0.982 424 E CA 0.732 57.019 56.400 -0.188 0.000 0.809 424 E CB -0.278 29.320 29.700 -0.171 0.000 0.756 424 E HN 0.412 nan 8.360 nan 0.000 0.459 425 R N 0.571 120.859 120.500 -0.352 0.000 2.091 425 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 425 R C 2.420 178.617 176.300 -0.171 0.000 1.136 425 R CA 1.501 57.420 56.100 -0.300 0.000 0.959 425 R CB -1.142 28.925 30.300 -0.389 0.000 0.856 425 R HN 0.332 nan 8.270 nan 0.000 0.437 426 V N -1.789 118.035 119.914 -0.150 0.000 3.647 426 V HA 0.426 4.546 4.120 -0.000 0.000 0.279 426 V C 0.826 176.874 176.094 -0.076 0.000 1.314 426 V CA -0.066 62.177 62.300 -0.094 0.000 1.125 426 V CB -0.591 31.184 31.823 -0.080 0.000 0.907 426 V HN 0.081 nan 8.190 nan 0.000 0.434 427 A N 1.165 123.933 122.820 -0.086 0.000 2.566 427 A HA 0.447 4.767 4.320 -0.000 0.000 0.245 427 A C 1.652 179.208 177.584 -0.048 0.000 1.056 427 A CA 0.879 52.878 52.037 -0.064 0.000 0.757 427 A CB -1.030 17.930 19.000 -0.066 0.000 0.979 427 A HN 2.102 nan 8.150 nan 0.000 0.508 428 G N 2.261 111.039 108.800 -0.036 0.000 2.143 428 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.248 428 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.248 428 G C 0.381 175.268 174.900 -0.022 0.000 0.991 428 G CA 0.959 46.044 45.100 -0.026 0.000 0.689 428 G HN 2.105 nan 8.290 nan 0.000 0.522 429 T N -2.076 112.466 114.554 -0.021 0.000 2.907 429 T HA 0.660 5.009 4.350 -0.000 0.000 0.284 429 T C -0.391 174.313 174.700 0.007 0.000 1.004 429 T CA -0.473 61.622 62.100 -0.008 0.000 1.063 429 T CB 2.454 71.319 68.868 -0.007 0.000 0.992 429 T HN 0.507 nan 8.240 nan 0.000 0.483 430 N N 0.924 119.637 118.700 0.023 0.000 2.655 430 N HA 0.101 4.841 4.740 -0.000 0.000 0.277 430 N C -0.558 174.993 175.510 0.068 0.000 1.177 430 N CA -0.671 52.404 53.050 0.042 0.000 0.882 430 N CB 1.179 39.678 38.487 0.019 0.000 1.481 430 N HN 0.801 nan 8.380 nan 0.000 0.547 431 Y N 3.673 123.955 120.300 -0.030 0.000 2.133 431 Y HA -0.105 4.445 4.550 -0.000 0.000 0.287 431 Y C 1.750 177.640 175.900 -0.017 0.000 1.134 431 Y CA 1.917 59.998 58.100 -0.033 0.000 1.133 431 Y CB 0.074 38.508 38.460 -0.044 0.000 0.987 431 Y HN 0.336 nan 8.280 nan 0.000 0.502 432 V N 0.772 120.802 119.914 0.194 0.000 2.282 432 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 432 V C 2.310 178.411 176.094 0.012 0.000 1.057 432 V CA 2.493 64.860 62.300 0.110 0.000 1.032 432 V CB -0.717 31.178 31.823 0.119 0.000 0.645 432 V HN 0.576 nan 8.190 nan 0.000 0.447 433 E N -0.572 119.633 120.200 0.008 0.000 2.086 433 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 433 E C 2.194 178.776 176.600 -0.030 0.000 0.975 433 E CA 0.986 57.385 56.400 -0.003 0.000 0.813 433 E CB -0.113 29.591 29.700 0.007 0.000 0.768 433 E HN 0.666 nan 8.360 nan 0.000 0.457 434 Q N -0.752 119.013 119.800 -0.059 0.000 2.245 434 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 434 Q C 1.929 177.863 176.000 -0.110 0.000 0.955 434 Q CA 1.056 56.818 55.803 -0.069 0.000 0.870 434 Q CB 0.300 29.000 28.738 -0.063 0.000 0.945 434 Q HN 0.373 nan 8.270 nan 0.000 0.461 435 c N -0.874 117.592 118.600 -0.223 0.000 2.590 435 c HA 0.251 4.821 4.570 -0.000 0.000 0.272 435 c C 1.532 175.564 174.090 -0.096 0.000 1.338 435 c CA 0.476 56.623 56.329 -0.303 0.000 1.746 435 c CB -0.443 41.567 42.510 -0.834 0.000 2.020 435 c HN 0.769 nan 8.230 nan 0.000 0.531 436 G N 2.117 110.908 108.800 -0.014 0.000 2.160 436 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 436 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 436 G C -0.330 174.736 174.900 0.276 0.000 1.022 436 G CA 0.461 45.640 45.100 0.131 0.000 0.741 436 G HN 0.501 nan 8.290 nan 0.000 0.508 437 N N 0.033 118.821 118.700 0.146 0.000 2.442 437 N HA 0.344 5.084 4.740 -0.000 0.000 0.274 437 N C 0.507 176.131 175.510 0.189 0.000 1.002 437 N CA -0.687 52.509 53.050 0.242 0.000 0.910 437 N CB 0.628 39.134 38.487 0.032 0.000 1.244 437 N HN 0.219 nan 8.380 nan 0.000 0.492 438 N N 1.719 120.530 118.700 0.185 0.000 2.314 438 N HA 0.126 4.866 4.740 -0.000 0.000 0.200 438 N C 0.047 175.634 175.510 0.128 0.000 1.135 438 N CA -0.294 52.835 53.050 0.132 0.000 0.835 438 N CB 0.313 38.859 38.487 0.097 0.000 0.989 438 N HN 0.484 nan 8.380 nan 0.000 0.478 439 N N 1.233 120.027 118.700 0.157 0.000 2.332 439 N HA 0.136 4.876 4.740 -0.000 0.000 0.285 439 N C 0.299 175.877 175.510 0.114 0.000 1.292 439 N CA -0.170 52.959 53.050 0.132 0.000 0.947 439 N CB 0.119 38.693 38.487 0.145 0.000 1.084 439 N HN 0.039 nan 8.380 nan 0.000 0.529 440 A N 0.358 123.231 122.820 0.088 0.000 2.591 440 A HA -0.014 4.306 4.320 -0.000 0.000 0.244 440 A C 1.246 178.841 177.584 0.018 0.000 1.031 440 A CA 0.433 52.500 52.037 0.050 0.000 0.767 440 A CB -0.225 18.803 19.000 0.046 0.000 0.942 440 A HN 0.656 nan 8.150 nan 0.000 0.514 441 S N 1.564 117.271 115.700 0.012 0.000 2.528 441 S HA 0.493 4.962 4.470 -0.000 0.000 0.219 441 S C 0.648 175.193 174.600 -0.092 0.000 0.985 441 S CA 0.513 58.721 58.200 0.013 0.000 0.914 441 S CB -0.156 63.066 63.200 0.036 0.000 0.776 441 S HN 1.994 nan 8.310 nan 0.000 0.526 442 A N 0.477 123.229 122.820 -0.114 0.000 2.609 442 A HA 0.674 4.994 4.320 -0.000 0.000 0.291 442 A C -0.764 176.745 177.584 -0.125 0.000 1.096 442 A CA -0.713 51.241 52.037 -0.138 0.000 0.684 442 A CB 1.026 19.964 19.000 -0.103 0.000 1.282 442 A HN 0.216 nan 8.150 nan 0.000 0.412 443 V N 1.609 121.436 119.914 -0.144 0.000 2.585 443 V HA 0.313 4.433 4.120 -0.000 0.000 0.296 443 V C 1.463 177.541 176.094 -0.028 0.000 1.035 443 V CA 1.418 63.597 62.300 -0.200 0.000 1.084 443 V CB 0.787 32.392 31.823 -0.364 0.000 0.953 443 V HN 1.240 nan 8.190 nan 0.000 0.483 444 T N 0.194 114.724 114.554 -0.040 0.000 2.986 444 T HA 0.046 4.396 4.350 -0.000 0.000 0.264 444 T C 1.155 175.949 174.700 0.157 0.000 0.964 444 T CA 0.278 62.509 62.100 0.219 0.000 0.895 444 T CB -0.179 68.803 68.868 0.190 0.000 1.163 444 T HN 0.491 nan 8.240 nan 0.000 0.517 445 F N 0.623 120.540 119.950 -0.055 0.000 2.451 445 F HA 0.246 4.773 4.527 -0.000 0.000 0.299 445 F C 1.600 177.292 175.800 -0.181 0.000 1.101 445 F CA -0.365 57.534 58.000 -0.169 0.000 1.436 445 F CB -1.159 37.375 39.000 -0.776 0.000 1.074 445 F HN 0.047 nan 8.300 nan 0.000 0.553 446 Y N -0.688 119.128 120.300 -0.805 0.000 2.421 446 Y HA -0.118 4.432 4.550 -0.000 0.000 0.292 446 Y C 1.803 177.408 175.900 -0.491 0.000 1.136 446 Y CA 0.675 58.123 58.100 -1.086 0.000 1.255 446 Y CB -0.584 36.494 38.460 -2.304 0.000 0.991 446 Y HN 0.206 nan 8.280 nan 0.000 0.552 447 W N -0.804 120.642 121.300 0.243 0.000 2.871 447 W HA 0.085 4.745 4.660 -0.000 0.000 0.267 447 W C 0.852 177.451 176.519 0.134 0.000 1.180 447 W CA 0.789 58.237 57.345 0.172 0.000 1.463 447 W CB -0.199 29.264 29.460 0.006 0.000 0.966 447 W HN 0.224 nan 8.180 nan 0.000 0.605 448 D N -0.575 120.075 120.400 0.418 0.000 2.398 448 D HA -0.095 4.545 4.640 -0.000 0.000 0.210 448 D C 1.355 177.845 176.300 0.316 0.000 1.094 448 D CA -0.113 54.064 54.000 0.294 0.000 0.839 448 D CB -1.249 39.720 40.800 0.281 0.000 0.963 448 D HN 0.260 nan 8.370 nan 0.000 0.506 449 Y N -0.061 120.522 120.300 0.472 0.000 2.483 449 Y HA 0.095 4.645 4.550 -0.000 0.000 0.291 449 Y C 1.693 177.764 175.900 0.286 0.000 1.143 449 Y CA 0.694 59.109 58.100 0.524 0.000 1.289 449 Y CB -0.413 38.377 38.460 0.550 0.000 0.983 449 Y HN -0.083 nan 8.280 nan 0.000 0.556 450 E N 0.921 120.934 120.200 -0.311 0.000 2.216 450 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 450 E C 1.860 178.441 176.600 -0.032 0.000 0.988 450 E CA 1.673 57.961 56.400 -0.187 0.000 0.834 450 E CB -0.097 29.441 29.700 -0.270 0.000 0.772 450 E HN 0.646 nan 8.360 nan 0.000 0.479 451 T N -4.102 110.449 114.554 -0.006 0.000 2.985 451 T HA 0.219 4.569 4.350 -0.000 0.000 0.254 451 T C 0.613 175.310 174.700 -0.005 0.000 1.021 451 T CA -0.289 61.813 62.100 0.004 0.000 0.957 451 T CB 0.469 69.342 68.868 0.009 0.000 1.047 451 T HN -0.177 nan 8.240 nan 0.000 0.511 452 T N 3.385 117.935 114.554 -0.007 0.000 2.823 452 T HA 0.433 4.783 4.350 -0.000 0.000 0.279 452 T C -0.628 173.941 174.700 -0.218 0.000 0.998 452 T CA -0.719 61.287 62.100 -0.157 0.000 0.994 452 T CB 1.152 69.871 68.868 -0.248 0.000 0.960 452 T HN 0.115 nan 8.240 nan 0.000 0.448 453 N N 2.777 121.334 118.700 -0.239 0.000 2.437 453 N HA 0.179 4.919 4.740 -0.000 0.000 0.243 453 N C -1.200 174.165 175.510 -0.241 0.000 1.041 453 N CA -0.163 52.802 53.050 -0.140 0.000 0.940 453 N CB 0.601 39.052 38.487 -0.060 0.000 1.133 453 N HN 0.541 nan 8.380 nan 0.000 0.506 454 Y N 0.830 121.175 120.300 0.076 0.000 2.691 454 Y HA 0.131 4.681 4.550 -0.000 0.000 0.338 454 Y C 1.159 177.069 175.900 0.016 0.000 1.148 454 Y CA -0.508 57.618 58.100 0.044 0.000 1.430 454 Y CB 0.277 38.765 38.460 0.046 0.000 1.303 454 Y HN 0.333 nan 8.280 nan 0.000 0.499 455 T N -1.418 113.194 114.554 0.097 0.000 3.533 455 T HA 0.635 4.984 4.350 -0.000 0.000 0.275 455 T C 0.383 175.096 174.700 0.020 0.000 1.000 455 T CA -0.633 61.497 62.100 0.049 0.000 1.015 455 T CB -0.361 68.519 68.868 0.021 0.000 1.153 455 T HN 0.512 nan 8.240 nan 0.000 0.504 456 A N 2.119 124.963 122.820 0.039 0.000 2.561 456 A HA 0.524 4.844 4.320 -0.000 0.000 0.234 456 A C 0.937 178.506 177.584 -0.025 0.000 1.055 456 A CA -0.171 51.877 52.037 0.018 0.000 0.756 456 A CB -0.125 18.899 19.000 0.040 0.000 0.986 456 A HN 1.007 nan 8.150 nan 0.000 0.505 457 S N 2.302 117.985 115.700 -0.029 0.000 2.592 457 S HA 0.508 4.978 4.470 -0.000 0.000 0.271 457 S C 0.031 174.594 174.600 -0.062 0.000 1.326 457 S CA -0.753 57.412 58.200 -0.060 0.000 1.024 457 S CB 0.379 63.553 63.200 -0.042 0.000 0.921 457 S HN 0.536 nan 8.310 nan 0.000 0.527 458 L N 2.334 123.494 121.223 -0.105 0.000 2.416 458 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 458 L C 0.328 177.180 176.870 -0.030 0.000 1.161 458 L CA -0.517 54.269 54.840 -0.090 0.000 0.845 458 L CB 0.080 42.046 42.059 -0.156 0.000 1.119 458 L HN 0.694 nan 8.230 nan 0.000 0.464 459 I N -0.278 120.296 120.570 0.007 0.000 2.607 459 I HA 0.379 4.549 4.170 -0.000 0.000 0.305 459 I C 0.034 176.172 176.117 0.036 0.000 0.995 459 I CA -0.776 60.538 61.300 0.024 0.000 1.148 459 I CB 1.530 39.556 38.000 0.043 0.000 1.323 459 I HN 0.411 nan 8.210 nan 0.000 0.461 460 N N 3.471 122.187 118.700 0.027 0.000 3.245 460 N HA 0.271 5.011 4.740 -0.000 0.000 0.296 460 N C -1.117 174.416 175.510 0.038 0.000 1.254 460 N CA 0.025 53.091 53.050 0.027 0.000 1.190 460 N CB -0.132 38.359 38.487 0.008 0.000 1.460 460 N HN 0.868 nan 8.380 nan 0.000 0.538 461 S N 0.000 115.739 115.700 0.066 0.000 2.498 461 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 461 S CA 0.000 58.250 58.200 0.083 0.000 1.107 461 S CB 0.000 63.237 63.200 0.062 0.000 0.593 461 S HN 0.000 nan 8.310 nan 0.000 0.517