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 1n6f_1_D DATA FIRST_RESID 39 DATA SEQUENCE MPNLLLNPDI HGDRIIFVCC DDLWEHDLKS GSTRKIVSNL GVINNARFFP DATA SEQUENCE DGRKIAIRVM RGSSLNTADL YFYNGENGEI KRITYFSGKS TGRRMFTDVA DATA SEQUENCE GFDPDGNLII STDAMQPFSS MTCLYRVEND GINFVPLNLG PATHILFADG DATA SEQUENCE RRVIGRNTFE LPHWKGYRGG TRGKIWIEVN SGAFKKIVDM STHVSSPVIV DATA SEQUENCE GHRIYFITDI DGFGQIYSTD LDGKDLRKHT SFTDYYPRHL NTDGRRILFS DATA SEQUENCE KGGSIYIFNP DTEKIEKIEI GDLESPEDRI ISIPSKFAED FSPLDGDLIA DATA SEQUENCE FVSRGQAFIQ DVSGTYVLKV PEPLRIRYVR RGGDTKVAFI HGTREGDFLG DATA SEQUENCE IYDYRTGKAE KFEENLGNVF AMGVDRNGKF AVVANDRFEI MTVDLETGKP DATA SEQUENCE TVIERSREAM ITDFTISDNS RFIAYGFPLK HGETDGYVMQ AIHVYDMEGR DATA SEQUENCE KIFAATTENS HDYAPAFDAD SKNLYYLSYR SLDPSPDRVV LNFSFEVVSK DATA SEQUENCE PFVIPLIPGS PNPTKLVPRS MTSEAGEYDL NDMYKRSSPI NVDPGDYRMI DATA SEQUENCE IPLESSILIY SVPVHGEFAA YYQGAPEKGV LLKYDVKTRK VTEVKNNLTD DATA SEQUENCE LRLSADRKTV MVRKDDGKIY TFPLEKPEDE RTVETDKRPL VSSIHEEFLQ DATA SEQUENCE MYDEAWKLAR DNYWNEAVAK EISERIYEKY RNLVPLCKTR YDLSNVIVEM DATA SEQUENCE QGEYRTSHSY EMGGTFTDKD PFRSGRIACD FKLDGDHYVV AKAYAGDYSN DATA SEQUENCE EGEKSPIFEY GIDPTGYLIE DIDGETVGAG SNIYRVLSEK AGTSARIRLS DATA SEQUENCE GKGGDKRDLM IDILDDDRFI RYRSWVEANR RYVHERSKGT IGYIHIPDMG DATA SEQUENCE MMGLNEFYRL FINESSYQGL IVDVRFNGGG FVSQLIIEKL MNKRIGYDNP DATA SEQUENCE RRGTLSPYPT NSVRGKIIAI TNEYAGSDGD IFSFSFKKLG LGKLIGTRTW DATA SEQUENCE GGVVGITPKR RLIDGTVLTQ PEFAFWFRDA GFGVENYGVD PDVEIEYAPH DATA SEQUENCE DYLSGKDPQI DYAIDALIEE LRN 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 39 M HA 0.000 nan 4.480 nan 0.000 0.227 39 M C 0.000 176.270 176.300 -0.049 0.000 1.140 39 M CA 0.000 55.272 55.300 -0.048 0.000 0.988 39 M CB 0.000 32.570 32.600 -0.051 0.000 1.302 40 P HA 0.470 nan 4.420 nan 0.000 0.297 40 P C -1.379 175.878 177.300 -0.071 0.000 1.307 40 P CA -0.313 62.743 63.100 -0.074 0.000 0.773 40 P CB 0.794 32.441 31.700 -0.087 0.000 1.265 41 N N -1.319 117.324 118.700 -0.096 0.000 2.563 41 N HA 0.507 5.251 4.740 0.008 0.000 0.288 41 N C -0.943 174.515 175.510 -0.088 0.000 1.246 41 N CA -0.586 52.415 53.050 -0.082 0.000 0.946 41 N CB 0.258 38.677 38.487 -0.114 0.000 1.213 41 N HN 0.250 nan 8.380 nan 0.000 0.578 42 L N 1.382 122.570 121.223 -0.058 0.000 2.277 42 L HA 0.480 4.824 4.340 0.008 0.000 0.284 42 L C -1.555 175.289 176.870 -0.043 0.000 1.028 42 L CA -0.227 54.576 54.840 -0.062 0.000 0.835 42 L CB 0.056 42.090 42.059 -0.042 0.000 1.215 42 L HN 0.347 nan 8.230 nan 0.000 0.425 43 L N 6.271 127.445 121.223 -0.082 0.000 2.343 43 L HA 0.723 5.067 4.340 0.008 0.000 0.275 43 L C -0.385 176.479 176.870 -0.010 0.000 1.056 43 L CA -0.805 54.009 54.840 -0.043 0.000 0.804 43 L CB 1.413 43.318 42.059 -0.258 0.000 1.203 43 L HN 0.638 nan 8.230 nan 0.000 0.440 44 L N -0.723 120.550 121.223 0.083 0.000 2.892 44 L HA 0.483 4.827 4.340 0.008 0.000 0.269 44 L C -0.758 176.139 176.870 0.045 0.000 1.058 44 L CA -1.185 53.691 54.840 0.060 0.000 0.923 44 L CB 1.801 43.892 42.059 0.053 0.000 1.518 44 L HN 0.653 nan 8.230 nan 0.000 0.402 45 N N -0.066 118.586 118.700 -0.080 0.000 2.642 45 N HA -0.144 4.601 4.740 0.008 0.000 0.269 45 N C -2.572 172.775 175.510 -0.271 0.000 1.073 45 N CA 0.288 52.981 53.050 -0.596 0.000 0.748 45 N CB -1.111 36.948 38.487 -0.712 0.000 0.894 45 N HN 0.616 nan 8.380 nan 0.000 0.548 46 P HA 0.391 nan 4.420 nan 0.000 0.281 46 P C -0.716 176.808 177.300 0.373 0.000 1.281 46 P CA 0.171 63.427 63.100 0.260 0.000 0.811 46 P CB 1.480 33.317 31.700 0.229 0.000 1.154 47 D N -0.842 119.780 120.400 0.370 0.000 2.736 47 D HA 0.544 5.189 4.640 0.008 0.000 0.223 47 D C -1.560 175.054 176.300 0.524 0.000 1.231 47 D CA -0.553 53.704 54.000 0.429 0.000 0.818 47 D CB 1.587 42.616 40.800 0.382 0.000 1.587 47 D HN 0.260 nan 8.370 nan 0.000 0.463 48 I N 1.678 122.548 120.570 0.500 0.000 2.785 48 I HA 0.598 4.773 4.170 0.008 0.000 0.302 48 I C -1.623 174.654 176.117 0.266 0.000 1.069 48 I CA -0.803 60.733 61.300 0.394 0.000 1.045 48 I CB 1.877 40.019 38.000 0.236 0.000 1.236 48 I HN 0.560 nan 8.210 nan 0.000 0.429 49 H N 5.027 124.029 119.070 -0.114 0.000 2.941 49 H HA 0.462 5.023 4.556 0.008 0.000 0.291 49 H C -0.111 175.078 175.328 -0.231 0.000 1.361 49 H CA 0.470 56.309 56.048 -0.348 0.000 1.606 49 H CB 0.448 29.592 29.762 -1.030 0.000 1.848 49 H HN 0.939 nan 8.280 nan 0.000 0.601 50 G N 3.163 111.764 108.800 -0.331 0.000 2.559 50 G HA2 -0.340 3.625 3.960 0.008 0.000 0.282 50 G HA3 -0.340 3.625 3.960 0.008 0.000 0.282 50 G C 0.679 175.539 174.900 -0.067 0.000 1.177 50 G CA 0.477 45.450 45.100 -0.212 0.000 0.960 50 G HN 0.544 nan 8.290 nan 0.000 0.540 51 D N 1.648 122.033 120.400 -0.025 0.000 2.379 51 D HA 0.124 4.768 4.640 0.008 0.000 0.208 51 D C 1.148 177.499 176.300 0.083 0.000 1.065 51 D CA 0.123 54.140 54.000 0.029 0.000 0.848 51 D CB 0.274 41.084 40.800 0.016 0.000 0.949 51 D HN 0.303 nan 8.370 nan 0.000 0.509 52 R N 0.860 121.414 120.500 0.090 0.000 2.357 52 R HA 0.546 4.890 4.340 0.008 0.000 0.296 52 R C -0.006 176.485 176.300 0.317 0.000 1.052 52 R CA -0.123 56.089 56.100 0.188 0.000 0.988 52 R CB 1.826 32.230 30.300 0.172 0.000 1.025 52 R HN -0.060 nan 8.270 nan 0.000 0.469 53 I N 4.976 125.804 120.570 0.431 0.000 2.500 53 I HA 0.314 4.489 4.170 0.008 0.000 0.286 53 I C 0.121 176.580 176.117 0.569 0.000 1.063 53 I CA -0.776 60.825 61.300 0.502 0.000 1.062 53 I CB 1.744 39.977 38.000 0.388 0.000 1.223 53 I HN 0.509 nan 8.210 nan 0.000 0.435 54 I N 4.202 125.073 120.570 0.502 0.000 2.498 54 I HA 0.786 4.961 4.170 0.008 0.000 0.301 54 I C -0.887 175.420 176.117 0.316 0.000 0.984 54 I CA -0.356 61.094 61.300 0.249 0.000 1.204 54 I CB 1.538 39.486 38.000 -0.086 0.000 1.362 54 I HN 0.518 nan 8.210 nan 0.000 0.471 55 F N 2.752 122.777 119.950 0.126 0.000 2.779 55 F HA 0.783 5.314 4.527 0.008 0.000 0.316 55 F C -1.618 174.251 175.800 0.115 0.000 1.164 55 F CA -1.233 56.814 58.000 0.079 0.000 0.924 55 F CB 0.911 39.932 39.000 0.035 0.000 1.348 55 F HN 0.212 nan 8.300 nan 0.000 0.467 56 V N 1.380 121.422 119.914 0.214 0.000 2.472 56 V HA 0.569 4.694 4.120 0.008 0.000 0.290 56 V C -0.711 175.527 176.094 0.239 0.000 1.037 56 V CA -0.576 61.829 62.300 0.174 0.000 0.908 56 V CB 1.209 33.131 31.823 0.165 0.000 0.985 56 V HN 1.018 nan 8.190 nan 0.000 0.454 57 C N 4.992 124.426 119.300 0.223 0.000 2.642 57 C HA 0.519 4.983 4.460 0.008 0.000 0.344 57 C C 0.620 175.783 174.990 0.288 0.000 1.110 57 C CA -0.540 58.551 59.018 0.122 0.000 1.298 57 C CB -0.331 27.193 27.740 -0.359 0.000 1.827 57 C HN 1.159 nan 8.230 nan 0.000 0.467 58 C N 6.018 125.449 119.300 0.218 0.000 4.167 58 C HA -0.102 4.363 4.460 0.008 0.000 0.302 58 C C 0.726 175.857 174.990 0.236 0.000 1.384 58 C CA 1.463 60.622 59.018 0.234 0.000 2.041 58 C CB -2.672 25.216 27.740 0.247 0.000 1.303 58 C HN 1.140 nan 8.230 nan 0.000 0.718 59 D N -2.070 118.479 120.400 0.248 0.000 3.006 59 D HA -0.148 4.497 4.640 0.008 0.000 0.208 59 D C -0.081 176.278 176.300 0.098 0.000 1.116 59 D CA 2.222 56.327 54.000 0.174 0.000 0.998 59 D CB -0.692 40.189 40.800 0.135 0.000 1.124 59 D HN 0.714 nan 8.370 nan 0.000 0.413 60 D N -0.257 120.231 120.400 0.146 0.000 2.385 60 D HA 0.479 5.124 4.640 0.008 0.000 0.254 60 D C 0.402 176.734 176.300 0.053 0.000 1.053 60 D CA -0.574 53.445 54.000 0.032 0.000 0.992 60 D CB 1.044 41.812 40.800 -0.053 0.000 1.145 60 D HN -0.030 nan 8.370 nan 0.000 0.523 61 L N 1.388 122.523 121.223 -0.147 0.000 2.275 61 L HA 0.352 4.696 4.340 0.008 0.000 0.288 61 L C -1.208 175.474 176.870 -0.312 0.000 1.046 61 L CA -0.479 54.260 54.840 -0.169 0.000 0.805 61 L CB 0.494 42.412 42.059 -0.235 0.000 1.193 61 L HN 0.336 nan 8.230 nan 0.000 0.426 62 W N 3.351 124.330 121.300 -0.535 0.000 2.736 62 W HA 0.541 5.206 4.660 0.007 0.000 0.355 62 W C -0.334 175.870 176.519 -0.525 0.000 1.102 62 W CA -0.499 56.494 57.345 -0.587 0.000 1.164 62 W CB 1.145 30.096 29.460 -0.849 0.000 1.422 62 W HN 0.342 nan 8.180 nan 0.000 0.572 63 E N 1.349 121.580 120.200 0.051 0.000 2.272 63 E HA 0.219 4.574 4.350 0.008 0.000 0.269 63 E C -1.598 175.229 176.600 0.378 0.000 0.877 63 E CA -0.584 55.935 56.400 0.199 0.000 0.755 63 E CB 1.594 31.399 29.700 0.176 0.000 1.192 63 E HN 0.533 nan 8.360 nan 0.000 0.422 64 H N 3.244 122.538 119.070 0.373 0.000 2.600 64 H HA 0.276 4.836 4.556 0.008 0.000 0.357 64 H C -1.705 173.758 175.328 0.226 0.000 1.106 64 H CA -0.632 55.609 56.048 0.323 0.000 1.193 64 H CB 1.983 31.976 29.762 0.385 0.000 1.594 64 H HN 0.620 nan 8.280 nan 0.000 0.526 65 D N 4.481 124.654 120.400 -0.380 0.000 2.373 65 D HA 0.153 4.798 4.640 0.008 0.000 0.227 65 D C 1.158 177.281 176.300 -0.295 0.000 1.091 65 D CA -0.450 53.429 54.000 -0.202 0.000 0.840 65 D CB 0.894 41.623 40.800 -0.119 0.000 1.060 65 D HN 0.547 nan 8.370 nan 0.000 0.502 66 L N 3.424 124.643 121.223 -0.007 0.000 2.079 66 L HA -0.144 4.200 4.340 0.008 0.000 0.210 66 L C 2.351 179.237 176.870 0.027 0.000 1.081 66 L CA 1.087 55.982 54.840 0.093 0.000 0.752 66 L CB -0.317 41.807 42.059 0.108 0.000 0.896 66 L HN 0.506 nan 8.230 nan 0.000 0.433 67 K N 0.242 120.639 120.400 -0.005 0.000 1.965 67 K HA -0.185 4.140 4.320 0.008 0.000 0.214 67 K C 2.384 178.974 176.600 -0.017 0.000 1.042 67 K CA 1.910 58.194 56.287 -0.005 0.000 0.950 67 K CB -0.138 32.359 32.500 -0.005 0.000 0.733 67 K HN 0.302 nan 8.250 nan 0.000 0.441 68 S N -0.948 114.729 115.700 -0.039 0.000 2.383 68 S HA -0.005 4.469 4.470 0.008 0.000 0.227 68 S C 1.522 176.095 174.600 -0.044 0.000 1.026 68 S CA 1.120 59.299 58.200 -0.035 0.000 0.981 68 S CB -0.367 62.812 63.200 -0.034 0.000 0.818 68 S HN 0.704 nan 8.310 nan 0.000 0.472 69 G N 1.006 109.734 108.800 -0.120 0.000 2.141 69 G HA2 -0.232 3.733 3.960 0.008 0.000 0.231 69 G HA3 -0.232 3.733 3.960 0.008 0.000 0.231 69 G C 0.099 174.954 174.900 -0.076 0.000 0.984 69 G CA 0.273 45.328 45.100 -0.074 0.000 0.660 69 G HN 1.459 nan 8.290 nan 0.000 0.525 70 S N -0.084 115.532 115.700 -0.141 0.000 2.554 70 S HA 0.791 5.265 4.470 0.008 0.000 0.278 70 S C 0.035 174.652 174.600 0.028 0.000 1.242 70 S CA 0.603 58.794 58.200 -0.014 0.000 1.051 70 S CB 2.121 65.326 63.200 0.009 0.000 0.986 70 S HN 0.732 nan 8.310 nan 0.000 0.502 71 T N 2.982 117.661 114.554 0.208 0.000 2.863 71 T HA 0.790 5.144 4.350 0.008 0.000 0.285 71 T C -0.530 174.390 174.700 0.367 0.000 1.009 71 T CA -1.004 61.316 62.100 0.366 0.000 0.989 71 T CB 1.237 70.391 68.868 0.476 0.000 1.004 71 T HN 0.944 nan 8.240 nan 0.000 0.455 72 R N 0.288 121.020 120.500 0.387 0.000 2.643 72 R HA 0.566 4.910 4.340 0.008 0.000 0.269 72 R C -1.403 174.853 176.300 -0.073 0.000 1.037 72 R CA -1.218 54.999 56.100 0.195 0.000 0.894 72 R CB 1.620 31.962 30.300 0.069 0.000 1.238 72 R HN 0.466 nan 8.270 nan 0.000 0.459 73 K N 3.265 123.278 120.400 -0.645 0.000 2.312 73 K HA 0.190 4.515 4.320 0.008 0.000 0.287 73 K C 0.691 176.955 176.600 -0.561 0.000 1.062 73 K CA -0.476 55.143 56.287 -1.112 0.000 0.934 73 K CB 0.603 32.193 32.500 -1.518 0.000 1.027 73 K HN 0.786 nan 8.250 nan 0.000 0.478 74 I N 1.750 122.026 120.570 -0.490 0.000 3.645 74 I HA 0.134 4.308 4.170 0.008 0.000 0.300 74 I C 0.062 175.823 176.117 -0.592 0.000 1.260 74 I CA -0.334 60.702 61.300 -0.439 0.000 1.365 74 I CB 0.713 38.450 38.000 -0.437 0.000 1.077 74 I HN 0.230 nan 8.210 nan 0.000 0.439 75 V N 1.328 120.920 119.914 -0.536 0.000 2.852 75 V HA 0.693 4.818 4.120 0.008 0.000 0.300 75 V C -0.903 174.990 176.094 -0.334 0.000 1.205 75 V CA 0.366 62.407 62.300 -0.431 0.000 0.940 75 V CB 1.984 33.513 31.823 -0.490 0.000 1.047 75 V HN 0.504 nan 8.190 nan 0.000 0.429 76 S N 3.866 119.415 115.700 -0.252 0.000 2.705 76 S HA 0.639 5.113 4.470 0.008 0.000 0.280 76 S C -0.003 174.507 174.600 -0.151 0.000 1.174 76 S CA 0.001 58.081 58.200 -0.200 0.000 0.823 76 S CB 1.528 64.605 63.200 -0.204 0.000 1.162 76 S HN 2.173 nan 8.310 nan 0.000 0.487 77 N N -0.709 117.922 118.700 -0.116 0.000 2.725 77 N HA -0.136 4.609 4.740 0.008 0.000 0.249 77 N C -0.005 175.432 175.510 -0.122 0.000 1.103 77 N CA 1.058 54.050 53.050 -0.097 0.000 0.707 77 N CB -1.644 36.796 38.487 -0.079 0.000 1.043 77 N HN 0.677 nan 8.380 nan 0.000 0.553 78 L N -2.166 118.962 121.223 -0.158 0.000 2.609 78 L HA 0.405 4.749 4.340 0.008 0.000 0.230 78 L C 1.487 178.251 176.870 -0.177 0.000 1.087 78 L CA 0.637 55.342 54.840 -0.226 0.000 0.874 78 L CB 0.006 41.858 42.059 -0.344 0.000 1.114 78 L HN 0.514 nan 8.230 nan 0.000 0.488 79 G N -0.338 108.387 108.800 -0.125 0.000 2.295 79 G HA2 -0.140 3.825 3.960 0.008 0.000 0.195 79 G HA3 -0.140 3.825 3.960 0.008 0.000 0.195 79 G C -1.053 173.802 174.900 -0.075 0.000 1.269 79 G CA -0.420 44.624 45.100 -0.093 0.000 1.170 79 G HN -0.246 nan 8.290 nan 0.000 0.511 80 V N 1.458 121.321 119.914 -0.086 0.000 2.333 80 V HA 0.534 4.659 4.120 0.008 0.000 0.274 80 V C 0.530 176.517 176.094 -0.178 0.000 1.028 80 V CA -0.307 61.904 62.300 -0.149 0.000 0.851 80 V CB 0.890 32.564 31.823 -0.247 0.000 1.000 80 V HN 0.564 nan 8.190 nan 0.000 0.456 81 I N 5.098 125.592 120.570 -0.126 0.000 2.342 81 I HA 0.308 4.483 4.170 0.008 0.000 0.291 81 I C 1.020 177.102 176.117 -0.058 0.000 1.010 81 I CA 0.037 61.292 61.300 -0.076 0.000 1.308 81 I CB 1.005 38.978 38.000 -0.044 0.000 1.400 81 I HN 0.851 nan 8.210 nan 0.000 0.488 82 N N 3.332 122.018 118.700 -0.023 0.000 2.166 82 N HA 0.114 4.859 4.740 0.008 0.000 0.213 82 N C -0.055 175.536 175.510 0.134 0.000 1.222 82 N CA -0.438 52.662 53.050 0.084 0.000 0.900 82 N CB 0.508 39.045 38.487 0.084 0.000 1.055 82 N HN 0.519 nan 8.380 nan 0.000 0.515 83 N N 0.311 119.085 118.700 0.124 0.000 2.406 83 N HA 0.571 5.316 4.740 0.008 0.000 0.283 83 N C -2.162 173.440 175.510 0.155 0.000 1.074 83 N CA -0.444 52.728 53.050 0.204 0.000 0.916 83 N CB 2.307 40.948 38.487 0.257 0.000 1.639 83 N HN 0.300 nan 8.380 nan 0.000 0.485 84 A N 2.775 125.699 122.820 0.174 0.000 2.408 84 A HA 0.788 5.113 4.320 0.008 0.000 0.295 84 A C -1.149 176.523 177.584 0.147 0.000 1.040 84 A CA -0.711 51.395 52.037 0.114 0.000 0.707 84 A CB 1.190 20.198 19.000 0.015 0.000 1.235 84 A HN 0.495 nan 8.150 nan 0.000 0.418 85 R N 1.665 122.263 120.500 0.164 0.000 2.513 85 R HA 0.399 4.743 4.340 0.008 0.000 0.301 85 R C -1.427 175.009 176.300 0.226 0.000 0.968 85 R CA -0.447 55.795 56.100 0.236 0.000 0.872 85 R CB 1.259 31.753 30.300 0.324 0.000 1.177 85 R HN 0.703 nan 8.270 nan 0.000 0.444 86 F N 2.348 122.432 119.950 0.223 0.000 2.484 86 F HA 0.143 4.674 4.527 0.008 0.000 0.360 86 F C 0.966 176.690 175.800 -0.127 0.000 1.101 86 F CA 0.129 58.199 58.000 0.116 0.000 1.251 86 F CB 0.493 39.552 39.000 0.097 0.000 1.132 86 F HN 0.351 nan 8.300 nan 0.000 0.570 87 F N 4.903 124.792 119.950 -0.101 0.000 2.373 87 F HA 0.158 4.689 4.527 0.008 0.000 0.302 87 F C -0.858 174.656 175.800 -0.476 0.000 1.247 87 F CA -1.386 56.249 58.000 -0.609 0.000 1.169 87 F CB -0.177 38.620 39.000 -0.337 0.000 1.309 87 F HN 0.300 nan 8.300 nan 0.000 0.537 88 P HA -0.186 nan 4.420 nan 0.000 0.214 88 P C 0.718 178.010 177.300 -0.013 0.000 1.162 88 P CA 1.944 64.980 63.100 -0.106 0.000 0.879 88 P CB -0.261 31.395 31.700 -0.072 0.000 0.786 89 D N -0.662 119.714 120.400 -0.040 0.000 2.403 89 D HA -0.047 4.597 4.640 0.008 0.000 0.227 89 D C 1.509 177.672 176.300 -0.228 0.000 0.995 89 D CA 1.083 55.045 54.000 -0.062 0.000 0.928 89 D CB -1.420 39.337 40.800 -0.071 0.000 0.887 89 D HN 0.370 nan 8.370 nan 0.000 0.529 90 G N 0.481 108.989 108.800 -0.486 0.000 2.166 90 G HA2 -0.386 3.578 3.960 0.008 0.000 0.260 90 G HA3 -0.386 3.578 3.960 0.008 0.000 0.260 90 G C 1.224 175.936 174.900 -0.313 0.000 0.986 90 G CA 0.658 45.139 45.100 -1.032 0.000 0.683 90 G HN 0.335 nan 8.290 nan 0.000 0.527 91 R N 0.061 120.469 120.500 -0.154 0.000 2.039 91 R HA 0.228 4.573 4.340 0.008 0.000 0.218 91 R C 1.544 177.786 176.300 -0.097 0.000 1.220 91 R CA 0.810 56.843 56.100 -0.112 0.000 0.993 91 R CB -0.517 29.685 30.300 -0.164 0.000 0.881 91 R HN 0.428 nan 8.270 nan 0.000 0.450 92 K N 0.927 121.182 120.400 -0.241 0.000 2.120 92 K HA 0.402 4.727 4.320 0.008 0.000 0.245 92 K C -0.052 176.608 176.600 0.099 0.000 1.024 92 K CA -0.129 55.951 56.287 -0.346 0.000 0.906 92 K CB 0.722 32.576 32.500 -1.077 0.000 1.051 92 K HN 0.021 nan 8.250 nan 0.000 0.491 93 I N 0.872 121.566 120.570 0.206 0.000 2.571 93 I HA 0.208 4.382 4.170 0.008 0.000 0.289 93 I C -0.744 175.701 176.117 0.548 0.000 1.115 93 I CA -0.833 60.709 61.300 0.403 0.000 1.045 93 I CB 2.074 40.199 38.000 0.208 0.000 1.238 93 I HN 0.548 nan 8.210 nan 0.000 0.424 94 A N 7.624 130.814 122.820 0.615 0.000 2.328 94 A HA 0.837 5.162 4.320 0.008 0.000 0.284 94 A C -0.545 177.254 177.584 0.359 0.000 1.160 94 A CA -0.083 52.331 52.037 0.628 0.000 0.818 94 A CB 0.265 19.549 19.000 0.473 0.000 1.087 94 A HN 0.661 nan 8.150 nan 0.000 0.504 95 I N 1.508 122.271 120.570 0.322 0.000 2.608 95 I HA 0.474 4.649 4.170 0.008 0.000 0.295 95 I C 0.188 176.395 176.117 0.151 0.000 1.049 95 I CA -0.572 60.846 61.300 0.195 0.000 1.063 95 I CB 2.221 40.317 38.000 0.160 0.000 1.248 95 I HN 0.781 nan 8.210 nan 0.000 0.424 96 R N 5.006 125.566 120.500 0.100 0.000 2.338 96 R HA 0.759 5.104 4.340 0.008 0.000 0.317 96 R C -1.750 174.573 176.300 0.039 0.000 0.968 96 R CA -0.466 55.671 56.100 0.062 0.000 0.849 96 R CB 1.848 32.182 30.300 0.056 0.000 1.128 96 R HN 0.515 nan 8.270 nan 0.000 0.448 97 V N 5.991 125.936 119.914 0.052 0.000 2.709 97 V HA 0.507 4.632 4.120 0.008 0.000 0.308 97 V C -0.910 175.272 176.094 0.147 0.000 1.062 97 V CA -0.841 61.497 62.300 0.063 0.000 0.901 97 V CB 2.103 33.964 31.823 0.062 0.000 1.003 97 V HN 0.895 nan 8.190 nan 0.000 0.425 98 M N 6.263 125.898 119.600 0.057 0.000 2.363 98 M HA 0.663 5.147 4.480 0.008 0.000 0.343 98 M C -0.177 176.155 176.300 0.053 0.000 1.165 98 M CA -0.352 54.984 55.300 0.060 0.000 1.046 98 M CB 1.930 34.470 32.600 -0.101 0.000 1.648 98 M HN 0.630 nan 8.290 nan 0.000 0.452 99 R N 0.271 120.805 120.500 0.057 0.000 2.855 99 R HA 0.846 5.191 4.340 0.008 0.000 0.266 99 R C -0.846 175.417 176.300 -0.062 0.000 1.034 99 R CA -0.756 55.281 56.100 -0.105 0.000 0.944 99 R CB 2.381 32.404 30.300 -0.462 0.000 1.219 99 R HN 0.937 nan 8.270 nan 0.000 0.474 100 G N 0.088 108.841 108.800 -0.079 0.000 2.788 100 G HA2 -0.237 3.727 3.960 0.008 0.000 0.686 100 G HA3 -0.237 3.727 3.960 0.008 0.000 0.686 100 G C 0.350 175.255 174.900 0.008 0.000 1.147 100 G CA -0.057 45.022 45.100 -0.036 0.000 0.755 100 G HN 0.520 nan 8.290 nan 0.000 0.634 101 S N 0.021 115.737 115.700 0.027 0.000 2.389 101 S HA -0.145 4.329 4.470 0.008 0.000 0.231 101 S C 2.245 176.946 174.600 0.167 0.000 1.052 101 S CA 2.645 60.895 58.200 0.084 0.000 1.053 101 S CB -0.162 63.072 63.200 0.057 0.000 0.886 101 S HN 1.299 nan 8.310 nan 0.000 0.456 102 S N 0.401 116.167 115.700 0.111 0.000 2.568 102 S HA 0.448 4.923 4.470 0.008 0.000 0.232 102 S C 0.155 174.720 174.600 -0.057 0.000 0.975 102 S CA -0.173 58.099 58.200 0.120 0.000 0.949 102 S CB -0.106 63.141 63.200 0.078 0.000 0.829 102 S HN 0.568 nan 8.310 nan 0.000 0.479 103 L N 1.575 122.765 121.223 -0.055 0.000 3.548 103 L HA -0.282 4.063 4.340 0.008 0.000 0.443 103 L C 0.840 177.640 176.870 -0.117 0.000 1.286 103 L CA 0.463 55.229 54.840 -0.124 0.000 0.863 103 L CB -2.300 39.590 42.059 -0.281 0.000 1.734 103 L HN 0.520 nan 8.230 nan 0.000 0.873 104 N N -1.271 117.388 118.700 -0.068 0.000 2.422 104 N HA 0.011 4.756 4.740 0.008 0.000 0.181 104 N C 0.617 176.103 175.510 -0.040 0.000 1.080 104 N CA 0.600 53.608 53.050 -0.070 0.000 0.893 104 N CB 0.282 38.739 38.487 -0.050 0.000 0.973 104 N HN 0.579 nan 8.380 nan 0.000 0.456 105 T N -2.941 111.620 114.554 0.012 0.000 2.908 105 T HA 0.835 5.189 4.350 0.008 0.000 0.290 105 T C -0.787 174.009 174.700 0.161 0.000 1.034 105 T CA -0.813 61.341 62.100 0.089 0.000 1.010 105 T CB 2.188 71.157 68.868 0.168 0.000 1.068 105 T HN 0.207 nan 8.240 nan 0.000 0.481 106 A N 1.476 124.366 122.820 0.117 0.000 2.606 106 A HA 0.826 5.150 4.320 0.008 0.000 0.293 106 A C -1.639 175.767 177.584 -0.296 0.000 1.082 106 A CA -0.709 51.343 52.037 0.026 0.000 0.685 106 A CB 1.810 20.798 19.000 -0.019 0.000 1.284 106 A HN 0.854 nan 8.150 nan 0.000 0.408 107 D N -0.513 119.562 120.400 -0.541 0.000 2.639 107 D HA 0.539 5.183 4.640 0.008 0.000 0.271 107 D C -1.320 174.749 176.300 -0.384 0.000 1.254 107 D CA -0.220 53.362 54.000 -0.697 0.000 0.810 107 D CB 1.652 41.612 40.800 -1.400 0.000 1.351 107 D HN 0.478 nan 8.370 nan 0.000 0.427 108 L N 1.053 122.059 121.223 -0.362 0.000 2.325 108 L HA 0.538 4.882 4.340 0.008 0.000 0.278 108 L C -0.907 175.819 176.870 -0.239 0.000 1.023 108 L CA -0.715 54.026 54.840 -0.166 0.000 0.811 108 L CB 0.997 42.970 42.059 -0.144 0.000 1.249 108 L HN 0.274 nan 8.230 nan 0.000 0.431 109 Y N 0.957 121.180 120.300 -0.128 0.000 2.536 109 Y HA 0.513 5.067 4.550 0.008 0.000 0.347 109 Y C -0.569 175.435 175.900 0.173 0.000 1.000 109 Y CA -0.691 57.372 58.100 -0.061 0.000 1.051 109 Y CB 2.154 40.623 38.460 0.015 0.000 1.259 109 Y HN 0.286 nan 8.280 nan 0.000 0.468 110 F N 2.063 122.159 119.950 0.244 0.000 2.436 110 F HA 0.336 4.867 4.527 0.008 0.000 0.340 110 F C -0.951 174.993 175.800 0.241 0.000 1.113 110 F CA -1.057 57.076 58.000 0.222 0.000 1.022 110 F CB 1.393 40.460 39.000 0.112 0.000 1.128 110 F HN 0.415 nan 8.300 nan 0.000 0.466 111 Y N 3.994 124.456 120.300 0.271 0.000 2.364 111 Y HA 0.360 4.915 4.550 0.008 0.000 0.340 111 Y C -1.097 174.820 175.900 0.028 0.000 0.975 111 Y CA -1.312 56.862 58.100 0.123 0.000 1.089 111 Y CB 1.317 39.823 38.460 0.078 0.000 1.192 111 Y HN 0.505 nan 8.280 nan 0.000 0.454 112 N N 3.309 121.556 118.700 -0.755 0.000 2.518 112 N HA 0.269 5.014 4.740 0.008 0.000 0.254 112 N C 0.646 175.605 175.510 -0.919 0.000 0.979 112 N CA 0.102 52.764 53.050 -0.647 0.000 0.930 112 N CB 1.395 39.674 38.487 -0.347 0.000 1.152 112 N HN 0.949 nan 8.380 nan 0.000 0.505 113 G N 1.949 110.317 108.800 -0.719 0.000 2.625 113 G HA2 -0.207 3.757 3.960 0.008 0.000 0.214 113 G HA3 -0.207 3.757 3.960 0.008 0.000 0.214 113 G C 0.957 175.743 174.900 -0.190 0.000 1.132 113 G CA 0.405 45.283 45.100 -0.370 0.000 0.782 113 G HN 0.715 nan 8.290 nan 0.000 0.538 114 E N 1.427 121.501 120.200 -0.209 0.000 2.051 114 E HA -0.110 4.244 4.350 0.008 0.000 0.189 114 E C 1.819 178.356 176.600 -0.104 0.000 0.979 114 E CA 1.337 57.661 56.400 -0.126 0.000 0.803 114 E CB 0.032 29.656 29.700 -0.125 0.000 0.761 114 E HN 0.488 nan 8.360 nan 0.000 0.451 115 N N -1.293 117.328 118.700 -0.132 0.000 2.159 115 N HA 0.140 4.885 4.740 0.008 0.000 0.217 115 N C 0.828 176.297 175.510 -0.068 0.000 1.223 115 N CA 0.557 53.557 53.050 -0.082 0.000 0.896 115 N CB 0.801 39.247 38.487 -0.069 0.000 1.064 115 N HN 0.233 nan 8.380 nan 0.000 0.518 116 G N 0.444 109.169 108.800 -0.125 0.000 2.168 116 G HA2 -0.368 3.596 3.960 0.008 0.000 0.257 116 G HA3 -0.368 3.596 3.960 0.008 0.000 0.257 116 G C -0.295 174.629 174.900 0.039 0.000 0.997 116 G CA 0.459 45.556 45.100 -0.006 0.000 0.708 116 G HN 0.666 nan 8.290 nan 0.000 0.520 117 E N -0.344 119.814 120.200 -0.070 0.000 2.360 117 E HA 0.495 4.850 4.350 0.008 0.000 0.269 117 E C -0.131 176.529 176.600 0.100 0.000 1.022 117 E CA -0.687 55.719 56.400 0.010 0.000 0.887 117 E CB 0.444 30.130 29.700 -0.023 0.000 0.990 117 E HN 0.367 nan 8.360 nan 0.000 0.426 118 I N 3.813 124.487 120.570 0.174 0.000 2.569 118 I HA 0.439 4.613 4.170 0.008 0.000 0.296 118 I C -1.401 174.865 176.117 0.247 0.000 1.028 118 I CA -0.439 61.021 61.300 0.267 0.000 1.082 118 I CB 1.541 39.690 38.000 0.248 0.000 1.264 118 I HN 0.533 nan 8.210 nan 0.000 0.429 119 K N 5.872 126.455 120.400 0.305 0.000 2.557 119 K HA 0.414 4.738 4.320 0.008 0.000 0.257 119 K C -1.304 175.258 176.600 -0.063 0.000 0.933 119 K CA -0.841 55.545 56.287 0.165 0.000 0.820 119 K CB 1.625 34.192 32.500 0.112 0.000 1.330 119 K HN 0.715 nan 8.250 nan 0.000 0.432 120 R N 3.978 124.214 120.500 -0.440 0.000 2.298 120 R HA 0.181 4.526 4.340 0.008 0.000 0.310 120 R C 0.194 176.083 176.300 -0.686 0.000 1.068 120 R CA -0.082 55.306 56.100 -1.186 0.000 0.957 120 R CB 0.488 30.008 30.300 -1.302 0.000 1.003 120 R HN 0.584 nan 8.270 nan 0.000 0.454 121 I N 2.080 122.206 120.570 -0.739 0.000 3.172 121 I HA -0.013 4.162 4.170 0.008 0.000 0.278 121 I C 0.766 176.639 176.117 -0.408 0.000 1.174 121 I CA 0.875 61.852 61.300 -0.539 0.000 1.445 121 I CB 0.259 37.793 38.000 -0.777 0.000 1.175 121 I HN 0.713 nan 8.210 nan 0.000 0.447 122 T N -2.484 111.687 114.554 -0.639 0.000 2.888 122 T HA 0.489 4.843 4.350 0.008 0.000 0.284 122 T C -0.727 173.411 174.700 -0.936 0.000 1.017 122 T CA -0.306 61.315 62.100 -0.798 0.000 1.022 122 T CB 1.499 69.871 68.868 -0.827 0.000 1.013 122 T HN 0.041 nan 8.240 nan 0.000 0.465 123 Y N 0.907 120.718 120.300 -0.815 0.000 2.629 123 Y HA 0.409 4.964 4.550 0.007 0.000 0.282 123 Y C 0.506 176.224 175.900 -0.303 0.000 0.994 123 Y CA -1.418 56.436 58.100 -0.409 0.000 1.126 123 Y CB -0.142 38.207 38.460 -0.184 0.000 1.187 123 Y HN 0.755 nan 8.280 nan 0.000 0.600 124 F N -1.220 118.617 119.950 -0.188 0.000 2.473 124 F HA -0.014 4.518 4.527 0.008 0.000 0.294 124 F C 1.661 177.377 175.800 -0.140 0.000 1.103 124 F CA 0.541 58.414 58.000 -0.213 0.000 1.442 124 F CB 0.302 39.091 39.000 -0.351 0.000 1.097 124 F HN 0.123 nan 8.300 nan 0.000 0.547 125 S N 1.093 116.804 115.700 0.018 0.000 3.706 125 S HA -0.147 4.327 4.470 0.008 0.000 0.363 125 S C 0.533 175.145 174.600 0.020 0.000 0.999 125 S CA -0.027 58.196 58.200 0.039 0.000 1.143 125 S CB -1.671 61.590 63.200 0.102 0.000 0.902 125 S HN 0.618 nan 8.310 nan 0.000 0.476 126 G N 1.604 110.398 108.800 -0.010 0.000 2.321 126 G HA2 0.243 4.208 3.960 0.008 0.000 0.237 126 G HA3 0.243 4.208 3.960 0.008 0.000 0.237 126 G C -0.053 174.827 174.900 -0.033 0.000 1.282 126 G CA -0.152 44.930 45.100 -0.031 0.000 0.886 126 G HN 0.672 nan 8.290 nan 0.000 0.528 127 K N 0.758 121.125 120.400 -0.055 0.000 2.218 127 K HA 0.457 4.781 4.320 0.008 0.000 0.276 127 K C 0.331 176.851 176.600 -0.133 0.000 1.022 127 K CA -0.115 56.123 56.287 -0.082 0.000 0.946 127 K CB 1.234 33.675 32.500 -0.098 0.000 1.000 127 K HN 0.601 nan 8.250 nan 0.000 0.468 128 S N 0.875 116.474 115.700 -0.168 0.000 2.579 128 S HA 0.594 5.069 4.470 0.008 0.000 0.272 128 S C -0.621 173.813 174.600 -0.277 0.000 1.141 128 S CA -0.674 57.371 58.200 -0.259 0.000 0.843 128 S CB 1.823 64.909 63.200 -0.189 0.000 1.122 128 S HN 0.685 nan 8.310 nan 0.000 0.468 129 T N -1.236 113.101 114.554 -0.362 0.000 2.804 129 T HA 0.695 5.050 4.350 0.008 0.000 0.290 129 T C 1.365 175.876 174.700 -0.316 0.000 1.099 129 T CA -0.231 61.672 62.100 -0.328 0.000 1.011 129 T CB 0.734 69.372 68.868 -0.382 0.000 1.291 129 T HN 1.120 nan 8.240 nan 0.000 0.523 130 G N 0.571 109.205 108.800 -0.276 0.000 2.446 130 G HA2 -0.172 3.792 3.960 0.008 0.000 0.217 130 G HA3 -0.172 3.792 3.960 0.008 0.000 0.217 130 G C 1.466 176.235 174.900 -0.218 0.000 1.168 130 G CA 0.880 45.854 45.100 -0.209 0.000 0.771 130 G HN 0.944 nan 8.290 nan 0.000 0.551 131 R N -0.459 119.837 120.500 -0.341 0.000 2.300 131 R HA 0.276 4.620 4.340 0.008 0.000 0.199 131 R C 0.600 176.652 176.300 -0.413 0.000 0.920 131 R CA -0.002 55.903 56.100 -0.324 0.000 1.046 131 R CB 0.228 30.183 30.300 -0.575 0.000 0.984 131 R HN 0.129 nan 8.270 nan 0.000 0.493 132 R N 1.416 121.556 120.500 -0.600 0.000 2.629 132 R HA 0.323 4.667 4.340 0.008 0.000 0.277 132 R C -0.518 175.227 176.300 -0.926 0.000 1.637 132 R CA -0.208 55.259 56.100 -1.055 0.000 1.663 132 R CB 1.160 30.540 30.300 -1.533 0.000 1.228 132 R HN 0.088 nan 8.270 nan 0.000 0.632 133 M N 2.574 121.913 119.600 -0.435 0.000 3.596 133 M HA 0.179 4.663 4.480 0.008 0.000 0.212 133 M C -0.259 176.055 176.300 0.024 0.000 1.519 133 M CA 0.620 55.804 55.300 -0.194 0.000 1.670 133 M CB -0.583 31.975 32.600 -0.071 0.000 1.113 133 M HN 0.272 nan 8.290 nan 0.000 0.565 134 F N 0.567 120.404 119.950 -0.188 0.000 2.426 134 F HA 0.109 4.641 4.527 0.008 0.000 0.309 134 F C 1.352 177.081 175.800 -0.118 0.000 1.246 134 F CA -0.528 57.377 58.000 -0.158 0.000 1.229 134 F CB 0.495 39.389 39.000 -0.177 0.000 1.255 134 F HN 0.387 nan 8.300 nan 0.000 0.558 135 T N 1.188 115.794 114.554 0.087 0.000 2.923 135 T HA -0.169 4.185 4.350 0.008 0.000 0.463 135 T C -0.951 173.754 174.700 0.008 0.000 0.780 135 T CA 0.211 62.314 62.100 0.006 0.000 2.436 135 T CB -1.006 67.857 68.868 -0.009 0.000 1.675 135 T HN 0.676 nan 8.240 nan 0.000 0.598 136 D N -0.094 120.307 120.400 0.002 0.000 2.744 136 D HA 0.577 5.222 4.640 0.008 0.000 0.304 136 D C -0.436 175.852 176.300 -0.020 0.000 1.179 136 D CA -0.598 53.407 54.000 0.007 0.000 1.024 136 D CB 1.629 42.445 40.800 0.028 0.000 1.453 136 D HN 0.223 nan 8.370 nan 0.000 0.529 137 V N 1.376 121.274 119.914 -0.026 0.000 2.555 137 V HA 0.503 4.627 4.120 0.008 0.000 0.286 137 V C 1.099 177.111 176.094 -0.137 0.000 1.044 137 V CA 0.593 62.838 62.300 -0.092 0.000 1.026 137 V CB 0.916 32.688 31.823 -0.085 0.000 0.981 137 V HN 0.713 nan 8.190 nan 0.000 0.480 138 A N 3.624 126.347 122.820 -0.161 0.000 1.973 138 A HA 0.711 5.035 4.320 0.008 0.000 0.210 138 A C 1.025 178.546 177.584 -0.105 0.000 1.200 138 A CA 0.925 52.880 52.037 -0.136 0.000 0.707 138 A CB 0.116 19.070 19.000 -0.077 0.000 0.862 138 A HN 1.332 nan 8.150 nan 0.000 0.461 139 G N -2.212 106.468 108.800 -0.200 0.000 2.336 139 G HA2 0.429 4.394 3.960 0.008 0.000 0.286 139 G HA3 0.429 4.394 3.960 0.008 0.000 0.286 139 G C -1.726 172.939 174.900 -0.392 0.000 1.269 139 G CA -0.724 44.306 45.100 -0.117 0.000 0.873 139 G HN 0.257 nan 8.290 nan 0.000 0.494 140 F N 1.499 121.535 119.950 0.142 0.000 2.547 140 F HA 0.481 5.013 4.527 0.008 0.000 0.316 140 F C 0.074 175.852 175.800 -0.036 0.000 1.121 140 F CA -0.629 57.398 58.000 0.045 0.000 0.911 140 F CB 2.265 41.253 39.000 -0.019 0.000 1.179 140 F HN 0.652 nan 8.300 nan 0.000 0.443 141 D N 2.618 122.993 120.400 -0.043 0.000 2.377 141 D HA 0.203 4.847 4.640 0.008 0.000 0.245 141 D C -2.128 173.908 176.300 -0.441 0.000 1.196 141 D CA -2.022 51.599 54.000 -0.633 0.000 0.962 141 D CB 0.319 40.886 40.800 -0.389 0.000 1.127 141 D HN 0.166 nan 8.370 nan 0.000 0.471 142 P HA -0.106 nan 4.420 nan 0.000 0.217 142 P C 0.188 177.431 177.300 -0.095 0.000 1.148 142 P CA 1.218 64.177 63.100 -0.234 0.000 0.828 142 P CB 0.086 31.675 31.700 -0.184 0.000 0.783 143 D N -2.021 118.329 120.400 -0.082 0.000 2.363 143 D HA 0.140 4.785 4.640 0.008 0.000 0.226 143 D C 1.450 177.770 176.300 0.033 0.000 1.020 143 D CA 1.019 55.012 54.000 -0.011 0.000 0.892 143 D CB -0.716 40.086 40.800 0.003 0.000 0.900 143 D HN 0.120 nan 8.370 nan 0.000 0.531 144 G N 0.422 109.251 108.800 0.049 0.000 2.136 144 G HA2 -0.303 3.662 3.960 0.008 0.000 0.242 144 G HA3 -0.303 3.662 3.960 0.008 0.000 0.242 144 G C 0.004 175.066 174.900 0.271 0.000 0.989 144 G CA -0.330 44.846 45.100 0.127 0.000 0.682 144 G HN 0.352 nan 8.290 nan 0.000 0.522 145 N N -0.419 118.417 118.700 0.228 0.000 2.509 145 N HA 0.581 5.326 4.740 0.008 0.000 0.287 145 N C 0.075 175.763 175.510 0.297 0.000 1.121 145 N CA -0.663 52.554 53.050 0.278 0.000 0.977 145 N CB 1.497 40.081 38.487 0.162 0.000 1.167 145 N HN 0.306 nan 8.380 nan 0.000 0.476 146 L N 2.929 124.322 121.223 0.284 0.000 2.410 146 L HA 0.331 4.676 4.340 0.008 0.000 0.273 146 L C -1.052 175.783 176.870 -0.058 0.000 1.152 146 L CA 0.245 55.028 54.840 -0.095 0.000 0.855 146 L CB 0.134 42.245 42.059 0.087 0.000 1.129 146 L HN 0.437 nan 8.230 nan 0.000 0.463 147 I N 7.063 127.510 120.570 -0.205 0.000 2.382 147 I HA 0.338 4.513 4.170 0.008 0.000 0.286 147 I C 0.162 176.241 176.117 -0.062 0.000 1.002 147 I CA -0.408 60.875 61.300 -0.029 0.000 1.135 147 I CB 1.071 39.096 38.000 0.042 0.000 1.288 147 I HN 0.675 nan 8.210 nan 0.000 0.448 148 I N 2.067 122.669 120.570 0.053 0.000 2.822 148 I HA 0.695 4.869 4.170 0.008 0.000 0.312 148 I C 0.020 176.169 176.117 0.054 0.000 1.011 148 I CA -0.562 60.762 61.300 0.040 0.000 1.105 148 I CB 2.158 40.217 38.000 0.098 0.000 1.291 148 I HN 0.482 nan 8.210 nan 0.000 0.474 149 S N 2.167 117.866 115.700 -0.003 0.000 2.640 149 S HA 0.602 5.077 4.470 0.008 0.000 0.320 149 S C -0.625 173.932 174.600 -0.070 0.000 1.097 149 S CA -0.254 57.918 58.200 -0.047 0.000 1.092 149 S CB 0.771 63.909 63.200 -0.103 0.000 0.988 149 S HN 0.933 nan 8.310 nan 0.000 0.470 150 T N 1.985 116.496 114.554 -0.072 0.000 2.868 150 T HA 0.440 4.794 4.350 0.008 0.000 0.306 150 T C -0.818 173.763 174.700 -0.199 0.000 1.224 150 T CA -0.606 61.399 62.100 -0.159 0.000 1.012 150 T CB 1.460 70.173 68.868 -0.258 0.000 1.221 150 T HN 0.704 nan 8.240 nan 0.000 0.499 151 D N 1.388 121.651 120.400 -0.228 0.000 2.431 151 D HA 0.208 4.853 4.640 0.008 0.000 0.213 151 D C 1.670 177.797 176.300 -0.287 0.000 1.130 151 D CA 0.164 54.020 54.000 -0.240 0.000 0.834 151 D CB 0.034 40.722 40.800 -0.186 0.000 0.985 151 D HN 0.512 nan 8.370 nan 0.000 0.504 152 A N 1.111 123.703 122.820 -0.381 0.000 1.927 152 A HA -0.178 4.147 4.320 0.008 0.000 0.220 152 A C 1.806 179.123 177.584 -0.444 0.000 1.185 152 A CA 1.440 53.216 52.037 -0.436 0.000 0.639 152 A CB -0.422 18.160 19.000 -0.698 0.000 0.820 152 A HN 0.205 nan 8.150 nan 0.000 0.451 153 M N 0.049 119.347 119.600 -0.504 0.000 2.637 153 M HA 0.248 4.733 4.480 0.008 0.000 0.286 153 M C -0.382 175.724 176.300 -0.322 0.000 1.246 153 M CA 0.259 55.316 55.300 -0.405 0.000 0.978 153 M CB 0.792 33.157 32.600 -0.391 0.000 1.417 153 M HN 0.209 nan 8.290 nan 0.000 0.487 154 Q N 0.053 119.658 119.800 -0.324 0.000 2.351 154 Q HA 0.484 4.829 4.340 0.008 0.000 0.273 154 Q C -1.837 173.910 176.000 -0.422 0.000 1.077 154 Q CA -1.841 53.764 55.803 -0.330 0.000 0.843 154 Q CB 1.330 29.887 28.738 -0.302 0.000 1.367 154 Q HN -0.028 nan 8.270 nan 0.000 0.449 155 P HA -0.041 nan 4.420 nan 0.000 0.217 155 P C -0.235 176.434 177.300 -1.052 0.000 1.151 155 P CA 1.154 63.765 63.100 -0.815 0.000 0.828 155 P CB 0.348 31.394 31.700 -1.090 0.000 0.788 156 F N 0.011 119.605 119.950 -0.592 0.000 2.508 156 F HA 0.276 4.807 4.527 0.008 0.000 0.325 156 F C 2.058 177.595 175.800 -0.438 0.000 1.090 156 F CA -0.697 56.952 58.000 -0.586 0.000 0.945 156 F CB 1.140 39.523 39.000 -1.029 0.000 1.156 156 F HN -0.240 nan 8.300 nan 0.000 0.463 157 S N -0.115 115.526 115.700 -0.098 0.000 2.368 157 S HA -0.185 4.290 4.470 0.008 0.000 0.225 157 S C 1.871 176.494 174.600 0.037 0.000 1.030 157 S CA 1.734 59.936 58.200 0.003 0.000 0.999 157 S CB -0.662 62.564 63.200 0.043 0.000 0.844 157 S HN 0.572 nan 8.310 nan 0.000 0.459 158 S N 1.268 116.927 115.700 -0.068 0.000 2.465 158 S HA 0.166 4.641 4.470 0.008 0.000 0.241 158 S C 1.015 175.298 174.600 -0.527 0.000 1.000 158 S CA 0.793 58.791 58.200 -0.336 0.000 0.964 158 S CB -0.564 62.229 63.200 -0.677 0.000 0.763 158 S HN 0.557 nan 8.310 nan 0.000 0.512 159 M N 2.907 122.247 119.600 -0.434 0.000 3.709 159 M HA 0.017 4.502 4.480 0.008 0.000 0.197 159 M C 0.192 176.261 176.300 -0.385 0.000 1.511 159 M CA 0.048 55.109 55.300 -0.397 0.000 1.688 159 M CB -0.561 31.803 32.600 -0.393 0.000 1.109 159 M HN 0.101 nan 8.290 nan 0.000 0.561 160 T N -1.491 112.784 114.554 -0.465 0.000 3.474 160 T HA 0.184 4.539 4.350 0.008 0.000 0.270 160 T C 0.298 174.801 174.700 -0.329 0.000 1.079 160 T CA -0.718 61.117 62.100 -0.442 0.000 1.110 160 T CB -0.871 67.609 68.868 -0.647 0.000 1.087 160 T HN 0.389 nan 8.240 nan 0.000 0.784 161 C N 3.675 122.800 119.300 -0.291 0.000 2.657 161 C HA 0.377 4.841 4.460 0.008 0.000 0.404 161 C C 1.050 175.839 174.990 -0.335 0.000 1.291 161 C CA -0.996 57.803 59.018 -0.364 0.000 2.218 161 C CB -0.362 27.118 27.740 -0.434 0.000 2.687 161 C HN 0.767 nan 8.230 nan 0.000 0.634 162 L N 2.620 123.594 121.223 -0.416 0.000 2.326 162 L HA 0.428 4.772 4.340 0.008 0.000 0.278 162 L C -0.801 175.831 176.870 -0.396 0.000 1.092 162 L CA -0.014 54.662 54.840 -0.273 0.000 0.810 162 L CB 0.182 42.129 42.059 -0.187 0.000 1.153 162 L HN 0.636 nan 8.230 nan 0.000 0.439 163 Y N 1.334 121.627 120.300 -0.012 0.000 2.512 163 Y HA 0.469 5.023 4.550 0.008 0.000 0.348 163 Y C -0.143 175.830 175.900 0.120 0.000 0.990 163 Y CA -0.890 57.254 58.100 0.072 0.000 1.033 163 Y CB 2.014 40.540 38.460 0.111 0.000 1.259 163 Y HN 0.458 nan 8.280 nan 0.000 0.461 164 R N 1.904 122.590 120.500 0.309 0.000 2.229 164 R HA 0.619 4.964 4.340 0.008 0.000 0.328 164 R C -1.569 174.851 176.300 0.200 0.000 1.009 164 R CA -0.491 55.736 56.100 0.211 0.000 0.864 164 R CB 0.641 31.035 30.300 0.156 0.000 1.085 164 R HN 0.571 nan 8.270 nan 0.000 0.453 165 V N 4.642 124.653 119.914 0.163 0.000 2.572 165 V HA 0.128 4.253 4.120 0.008 0.000 0.291 165 V C 0.181 176.272 176.094 -0.006 0.000 1.039 165 V CA 0.291 62.609 62.300 0.029 0.000 1.055 165 V CB 1.006 32.910 31.823 0.134 0.000 0.969 165 V HN 0.833 nan 8.190 nan 0.000 0.482 166 E N 3.776 123.877 120.200 -0.165 0.000 2.248 166 E HA 0.394 4.748 4.350 0.008 0.000 0.267 166 E C -0.384 176.165 176.600 -0.085 0.000 0.877 166 E CA -0.823 55.537 56.400 -0.066 0.000 0.759 166 E CB 1.350 31.024 29.700 -0.043 0.000 1.182 166 E HN 0.717 nan 8.360 nan 0.000 0.418 167 N N 3.217 121.913 118.700 -0.007 0.000 2.740 167 N HA -0.185 4.560 4.740 0.008 0.000 0.248 167 N C -0.956 174.555 175.510 0.001 0.000 1.062 167 N CA 1.083 54.131 53.050 -0.003 0.000 0.704 167 N CB -0.850 37.619 38.487 -0.030 0.000 0.968 167 N HN 0.764 nan 8.380 nan 0.000 0.547 168 D N -1.766 118.671 120.400 0.062 0.000 2.911 168 D HA -0.190 4.454 4.640 0.008 0.000 0.227 168 D C 1.143 177.369 176.300 -0.125 0.000 1.164 168 D CA 2.381 56.409 54.000 0.047 0.000 0.782 168 D CB -1.430 39.420 40.800 0.083 0.000 1.094 168 D HN 0.937 nan 8.370 nan 0.000 0.425 169 G N -1.397 107.271 108.800 -0.221 0.000 2.168 169 G HA2 -0.279 3.685 3.960 0.008 0.000 0.197 169 G HA3 -0.279 3.685 3.960 0.008 0.000 0.197 169 G C 1.012 175.796 174.900 -0.193 0.000 0.997 169 G CA 0.166 45.069 45.100 -0.328 0.000 0.658 169 G HN 0.356 nan 8.290 nan 0.000 0.513 170 I N 0.770 121.281 120.570 -0.098 0.000 2.202 170 I HA 0.050 4.225 4.170 0.008 0.000 0.242 170 I C 1.208 177.472 176.117 0.246 0.000 1.091 170 I CA 1.802 63.168 61.300 0.110 0.000 1.368 170 I CB -0.690 37.325 38.000 0.024 0.000 1.058 170 I HN 0.460 nan 8.210 nan 0.000 0.410 171 N N -0.763 117.912 118.700 -0.041 0.000 2.284 171 N HA 0.411 5.155 4.740 0.008 0.000 0.289 171 N C -1.613 173.714 175.510 -0.305 0.000 1.179 171 N CA -0.447 52.664 53.050 0.102 0.000 0.774 171 N CB 1.570 40.132 38.487 0.126 0.000 1.548 171 N HN -0.182 nan 8.380 nan 0.000 0.473 172 F N 1.151 121.241 119.950 0.232 0.000 2.507 172 F HA 0.452 4.983 4.527 0.008 0.000 0.328 172 F C -0.497 175.455 175.800 0.253 0.000 1.136 172 F CA -0.852 57.257 58.000 0.182 0.000 0.930 172 F CB 1.801 40.824 39.000 0.038 0.000 1.166 172 F HN 0.063 nan 8.300 nan 0.000 0.436 173 V N 5.343 125.479 119.914 0.370 0.000 2.370 173 V HA 0.395 4.520 4.120 0.008 0.000 0.279 173 V C -2.063 174.215 176.094 0.306 0.000 1.029 173 V CA -1.941 60.539 62.300 0.299 0.000 0.870 173 V CB 1.376 33.308 31.823 0.182 0.000 0.984 173 V HN 0.461 nan 8.190 nan 0.000 0.451 174 P HA 0.223 nan 4.420 nan 0.000 0.276 174 P C 0.381 177.633 177.300 -0.081 0.000 1.230 174 P CA -0.115 62.935 63.100 -0.084 0.000 0.776 174 P CB 1.394 33.033 31.700 -0.101 0.000 0.888 175 L N 1.920 123.044 121.223 -0.166 0.000 2.558 175 L HA 0.038 4.382 4.340 0.008 0.000 0.225 175 L C 0.339 177.145 176.870 -0.106 0.000 1.128 175 L CA 0.188 54.983 54.840 -0.076 0.000 0.868 175 L CB -1.095 40.934 42.059 -0.051 0.000 1.006 175 L HN 0.433 nan 8.230 nan 0.000 0.454 176 N N 0.430 119.020 118.700 -0.183 0.000 2.707 176 N HA -0.227 4.518 4.740 0.008 0.000 0.253 176 N C 0.416 175.831 175.510 -0.158 0.000 0.998 176 N CA 0.276 53.235 53.050 -0.152 0.000 0.751 176 N CB -1.013 37.451 38.487 -0.039 0.000 0.920 176 N HN 0.333 nan 8.380 nan 0.000 0.539 177 L N -0.854 120.196 121.223 -0.289 0.000 2.693 177 L HA 0.323 4.667 4.340 0.008 0.000 0.235 177 L C 1.383 177.903 176.870 -0.583 0.000 1.127 177 L CA 0.285 54.910 54.840 -0.358 0.000 0.914 177 L CB -0.028 41.826 42.059 -0.341 0.000 1.193 177 L HN 0.503 nan 8.230 nan 0.000 0.502 178 G N 1.126 109.387 108.800 -0.897 0.000 2.757 178 G HA2 -0.165 3.799 3.960 0.008 0.000 0.638 178 G HA3 -0.165 3.799 3.960 0.008 0.000 0.638 178 G C -2.788 171.604 174.900 -0.847 0.000 1.344 178 G CA -0.992 43.131 45.100 -1.628 0.000 0.855 178 G HN -0.016 nan 8.290 nan 0.000 0.537 179 P HA 0.464 nan 4.420 nan 0.000 0.265 179 P C -0.077 177.054 177.300 -0.282 0.000 1.193 179 P CA 1.119 63.984 63.100 -0.391 0.000 0.765 179 P CB 1.187 32.736 31.700 -0.251 0.000 0.823 180 A N 2.559 125.247 122.820 -0.222 0.000 2.594 180 A HA 0.592 4.916 4.320 0.008 0.000 0.295 180 A C 0.565 178.110 177.584 -0.065 0.000 1.071 180 A CA -0.347 51.616 52.037 -0.123 0.000 0.685 180 A CB 0.988 19.902 19.000 -0.143 0.000 1.285 180 A HN 0.385 nan 8.150 nan 0.000 0.405 181 T N 0.098 114.681 114.554 0.048 0.000 3.026 181 T HA 0.249 4.603 4.350 0.008 0.000 0.245 181 T C 0.044 174.732 174.700 -0.020 0.000 1.004 181 T CA 1.206 63.363 62.100 0.095 0.000 1.069 181 T CB -0.169 68.887 68.868 0.315 0.000 1.005 181 T HN 0.720 nan 8.240 nan 0.000 0.472 182 H N -0.449 118.637 119.070 0.026 0.000 2.768 182 H HA 0.717 5.277 4.556 0.008 0.000 0.371 182 H C -1.382 173.954 175.328 0.012 0.000 1.151 182 H CA -1.032 55.037 56.048 0.035 0.000 1.165 182 H CB 1.908 31.703 29.762 0.055 0.000 1.722 182 H HN 0.062 nan 8.280 nan 0.000 0.543 183 I N 2.776 123.429 120.570 0.139 0.000 2.512 183 I HA 0.414 4.589 4.170 0.008 0.000 0.287 183 I C -1.909 174.259 176.117 0.085 0.000 1.069 183 I CA -0.269 61.061 61.300 0.050 0.000 1.056 183 I CB 0.693 38.712 38.000 0.033 0.000 1.229 183 I HN 0.484 nan 8.210 nan 0.000 0.429 184 L N 6.633 127.841 121.223 -0.026 0.000 2.354 184 L HA 0.616 4.961 4.340 0.008 0.000 0.264 184 L C -1.360 175.419 176.870 -0.152 0.000 1.008 184 L CA -0.737 54.150 54.840 0.079 0.000 0.819 184 L CB 1.971 44.108 42.059 0.130 0.000 1.339 184 L HN 0.393 nan 8.230 nan 0.000 0.420 185 F N 1.024 121.050 119.950 0.127 0.000 2.449 185 F HA 0.695 5.226 4.527 0.008 0.000 0.342 185 F C 0.168 176.013 175.800 0.075 0.000 1.127 185 F CA -0.607 57.457 58.000 0.106 0.000 0.975 185 F CB 1.999 41.064 39.000 0.109 0.000 1.146 185 F HN 0.390 nan 8.300 nan 0.000 0.444 186 A N 2.635 125.553 122.820 0.164 0.000 2.357 186 A HA 0.571 4.896 4.320 0.008 0.000 0.295 186 A C -0.488 177.158 177.584 0.103 0.000 1.121 186 A CA -0.738 51.352 52.037 0.087 0.000 0.742 186 A CB 0.415 19.431 19.000 0.027 0.000 1.181 186 A HN 0.859 nan 8.150 nan 0.000 0.454 187 D N 2.149 122.615 120.400 0.111 0.000 2.708 187 D HA -0.225 4.419 4.640 0.008 0.000 0.236 187 D C 1.121 177.497 176.300 0.127 0.000 1.146 187 D CA 2.158 56.238 54.000 0.134 0.000 0.662 187 D CB -1.340 39.560 40.800 0.165 0.000 1.059 187 D HN 2.017 nan 8.370 nan 0.000 0.428 188 G N -0.259 108.636 108.800 0.159 0.000 2.189 188 G HA2 -0.390 3.575 3.960 0.008 0.000 0.267 188 G HA3 -0.390 3.575 3.960 0.008 0.000 0.267 188 G C 0.403 175.401 174.900 0.164 0.000 0.975 188 G CA 0.735 45.938 45.100 0.172 0.000 0.644 188 G HN 0.533 nan 8.290 nan 0.000 0.537 189 R N 0.036 120.610 120.500 0.124 0.000 2.486 189 R HA 0.555 4.900 4.340 0.008 0.000 0.286 189 R C 0.241 176.538 176.300 -0.005 0.000 0.999 189 R CA -0.771 55.353 56.100 0.039 0.000 0.993 189 R CB 0.926 31.231 30.300 0.008 0.000 1.084 189 R HN 0.210 nan 8.270 nan 0.000 0.487 190 R N 1.420 121.871 120.500 -0.081 0.000 2.265 190 R HA 0.306 4.650 4.340 0.008 0.000 0.319 190 R C -0.590 175.693 176.300 -0.027 0.000 1.006 190 R CA -0.578 55.411 56.100 -0.184 0.000 0.880 190 R CB 1.356 31.673 30.300 0.028 0.000 1.077 190 R HN 0.242 nan 8.270 nan 0.000 0.454 191 V N 5.570 125.419 119.914 -0.108 0.000 2.435 191 V HA 0.441 4.565 4.120 0.008 0.000 0.290 191 V C 0.255 176.381 176.094 0.053 0.000 1.030 191 V CA -0.607 61.716 62.300 0.038 0.000 0.881 191 V CB 1.665 33.505 31.823 0.030 0.000 0.983 191 V HN 0.634 nan 8.190 nan 0.000 0.445 192 I N 3.498 124.160 120.570 0.153 0.000 2.436 192 I HA 0.554 4.728 4.170 0.008 0.000 0.289 192 I C 0.607 176.800 176.117 0.126 0.000 1.010 192 I CA -0.399 60.962 61.300 0.102 0.000 1.098 192 I CB 1.997 40.014 38.000 0.030 0.000 1.266 192 I HN 0.733 nan 8.210 nan 0.000 0.434 193 G N 6.017 114.876 108.800 0.098 0.000 2.347 193 G HA2 0.490 4.455 3.960 0.008 0.000 0.314 193 G HA3 0.490 4.455 3.960 0.008 0.000 0.314 193 G C -0.370 174.583 174.900 0.089 0.000 1.126 193 G CA -0.553 44.596 45.100 0.082 0.000 0.929 193 G HN 0.539 nan 8.290 nan 0.000 0.441 194 R N 2.219 122.765 120.500 0.078 0.000 2.207 194 R HA 0.196 4.540 4.340 0.008 0.000 0.334 194 R C 0.186 176.510 176.300 0.041 0.000 1.013 194 R CA -0.388 55.754 56.100 0.071 0.000 0.858 194 R CB 0.555 30.917 30.300 0.103 0.000 1.094 194 R HN 0.875 nan 8.270 nan 0.000 0.457 195 N N 0.403 119.132 118.700 0.048 0.000 2.735 195 N HA -0.182 4.563 4.740 0.008 0.000 0.248 195 N C -0.235 175.012 175.510 -0.439 0.000 1.083 195 N CA 0.871 53.816 53.050 -0.176 0.000 0.703 195 N CB -0.846 37.642 38.487 0.002 0.000 1.005 195 N HN 0.667 nan 8.380 nan 0.000 0.550 196 T N -2.120 112.329 114.554 -0.174 0.000 3.330 196 T HA 0.293 4.648 4.350 0.008 0.000 0.249 196 T C 0.327 175.070 174.700 0.070 0.000 0.980 196 T CA -0.600 61.415 62.100 -0.141 0.000 0.920 196 T CB -0.702 68.073 68.868 -0.154 0.000 1.065 196 T HN 0.355 nan 8.240 nan 0.000 0.588 197 F N 0.031 120.212 119.950 0.384 0.000 2.380 197 F HA 0.732 5.263 4.527 0.008 0.000 0.321 197 F C 0.340 176.390 175.800 0.418 0.000 1.103 197 F CA -1.900 56.327 58.000 0.377 0.000 1.067 197 F CB 0.456 39.650 39.000 0.324 0.000 1.265 197 F HN -0.184 nan 8.300 nan 0.000 0.517 198 E N 1.183 121.743 120.200 0.601 0.000 2.398 198 E HA 0.188 4.543 4.350 0.008 0.000 0.263 198 E C -0.404 176.503 176.600 0.511 0.000 1.046 198 E CA 0.068 56.764 56.400 0.494 0.000 0.908 198 E CB 1.084 31.019 29.700 0.392 0.000 0.963 198 E HN 0.659 nan 8.360 nan 0.000 0.431 199 L N 4.447 125.868 121.223 0.331 0.000 2.784 199 L HA 0.150 4.495 4.340 0.008 0.000 0.241 199 L C -1.443 175.446 176.870 0.032 0.000 1.352 199 L CA -1.282 53.631 54.840 0.122 0.000 0.911 199 L CB 0.946 42.870 42.059 -0.225 0.000 1.227 199 L HN 0.246 nan 8.230 nan 0.000 0.501 200 P HA -0.222 nan 4.420 nan 0.000 0.216 200 P C 1.246 178.585 177.300 0.066 0.000 1.150 200 P CA 1.492 64.640 63.100 0.080 0.000 0.837 200 P CB -0.125 31.660 31.700 0.141 0.000 0.786 201 H N -3.925 115.228 119.070 0.138 0.000 2.546 201 H HA -0.050 4.511 4.556 0.008 0.000 0.277 201 H C 0.060 175.533 175.328 0.243 0.000 1.004 201 H CA 0.348 56.491 56.048 0.159 0.000 1.231 201 H CB -0.557 29.319 29.762 0.189 0.000 1.382 201 H HN 0.212 nan 8.280 nan 0.000 0.580 202 W N 3.056 124.113 121.300 -0.406 0.000 2.237 202 W HA 0.351 5.015 4.660 0.008 0.000 0.289 202 W C -0.960 175.497 176.519 -0.103 0.000 0.988 202 W CA -1.964 55.248 57.345 -0.222 0.000 1.671 202 W CB 0.413 29.674 29.460 -0.333 0.000 1.746 202 W HN -0.140 nan 8.180 nan 0.000 0.380 203 K N 0.946 121.489 120.400 0.239 0.000 2.355 203 K HA 0.407 4.732 4.320 0.008 0.000 0.270 203 K C 1.162 177.917 176.600 0.258 0.000 1.003 203 K CA 0.836 57.206 56.287 0.137 0.000 0.957 203 K CB 0.547 33.032 32.500 -0.025 0.000 0.939 203 K HN 0.538 nan 8.250 nan 0.000 0.482 204 G N 1.572 110.493 108.800 0.201 0.000 2.153 204 G HA2 -0.319 3.646 3.960 0.008 0.000 0.252 204 G HA3 -0.319 3.646 3.960 0.008 0.000 0.252 204 G C -0.278 174.621 174.900 -0.002 0.000 0.994 204 G CA 0.198 45.386 45.100 0.147 0.000 0.698 204 G HN 0.653 nan 8.290 nan 0.000 0.521 205 Y N 1.113 121.194 120.300 -0.365 0.000 2.620 205 Y HA 0.402 4.956 4.550 0.008 0.000 0.330 205 Y C 1.357 177.005 175.900 -0.420 0.000 1.186 205 Y CA 0.102 57.706 58.100 -0.828 0.000 1.467 205 Y CB 0.414 38.205 38.460 -1.115 0.000 1.262 205 Y HN 0.242 nan 8.280 nan 0.000 0.550 206 R N 3.770 123.658 120.500 -1.020 0.000 2.590 206 R HA 0.271 4.615 4.340 0.008 0.000 0.410 206 R C 0.661 176.463 176.300 -0.830 0.000 1.010 206 R CA 0.095 55.772 56.100 -0.705 0.000 1.155 206 R CB 0.512 30.658 30.300 -0.257 0.000 1.455 206 R HN 0.808 nan 8.270 nan 0.000 0.567 207 G N -0.445 107.384 108.800 -1.618 0.000 2.588 207 G HA2 0.251 4.216 3.960 0.008 0.000 0.278 207 G HA3 0.251 4.216 3.960 0.008 0.000 0.278 207 G C 0.942 175.545 174.900 -0.495 0.000 1.307 207 G CA -0.106 44.488 45.100 -0.843 0.000 1.016 207 G HN 0.167 nan 8.290 nan 0.000 0.503 208 G N -1.730 106.951 108.800 -0.199 0.000 2.559 208 G HA2 0.014 3.979 3.960 0.008 0.000 0.216 208 G HA3 0.014 3.979 3.960 0.008 0.000 0.216 208 G C 1.189 176.087 174.900 -0.004 0.000 1.126 208 G CA 1.342 46.368 45.100 -0.124 0.000 0.778 208 G HN 0.581 nan 8.290 nan 0.000 0.543 209 T N 0.737 115.426 114.554 0.225 0.000 3.122 209 T HA 0.151 4.505 4.350 0.008 0.000 0.250 209 T C 1.078 175.972 174.700 0.323 0.000 1.067 209 T CA -0.628 61.624 62.100 0.253 0.000 0.966 209 T CB 0.038 69.171 68.868 0.443 0.000 1.002 209 T HN 0.551 nan 8.240 nan 0.000 0.542 210 R N 1.460 122.142 120.500 0.304 0.000 2.698 210 R HA 0.354 4.699 4.340 0.008 0.000 0.266 210 R C 0.587 177.007 176.300 0.199 0.000 1.026 210 R CA -0.367 55.926 56.100 0.322 0.000 1.102 210 R CB -0.027 30.262 30.300 -0.019 0.000 0.978 210 R HN 0.115 nan 8.270 nan 0.000 0.436 211 G N 2.078 111.027 108.800 0.247 0.000 2.353 211 G HA2 0.113 4.077 3.960 0.008 0.000 0.239 211 G HA3 0.113 4.077 3.960 0.008 0.000 0.239 211 G C -0.686 174.117 174.900 -0.160 0.000 1.295 211 G CA -0.449 44.582 45.100 -0.116 0.000 0.884 211 G HN 0.592 nan 8.290 nan 0.000 0.537 212 K N 1.097 121.437 120.400 -0.099 0.000 2.508 212 K HA 0.510 4.835 4.320 0.008 0.000 0.260 212 K C -0.956 175.629 176.600 -0.025 0.000 0.949 212 K CA -0.765 55.465 56.287 -0.094 0.000 0.834 212 K CB 2.690 35.195 32.500 0.010 0.000 1.365 212 K HN 0.374 nan 8.250 nan 0.000 0.437 213 I N 1.375 121.887 120.570 -0.096 0.000 2.436 213 I HA 0.396 4.570 4.170 0.008 0.000 0.289 213 I C -1.083 175.049 176.117 0.024 0.000 1.010 213 I CA -0.755 60.547 61.300 0.003 0.000 1.098 213 I CB 1.031 38.974 38.000 -0.094 0.000 1.266 213 I HN 0.407 nan 8.210 nan 0.000 0.434 214 W N 6.426 127.738 121.300 0.020 0.000 2.576 214 W HA 0.773 5.437 4.660 0.008 0.000 0.360 214 W C -0.372 176.236 176.519 0.147 0.000 1.109 214 W CA -0.564 56.843 57.345 0.103 0.000 1.237 214 W CB 1.245 30.802 29.460 0.161 0.000 1.369 214 W HN 0.223 nan 8.180 nan 0.000 0.609 215 I N 0.515 121.326 120.570 0.402 0.000 2.827 215 I HA 0.230 4.404 4.170 0.008 0.000 0.298 215 I C -0.697 175.430 176.117 0.017 0.000 1.235 215 I CA -0.945 60.478 61.300 0.205 0.000 1.021 215 I CB 1.952 39.999 38.000 0.077 0.000 1.259 215 I HN 0.414 nan 8.210 nan 0.000 0.427 216 E N 4.007 124.018 120.200 -0.315 0.000 2.343 216 E HA 0.385 4.740 4.350 0.008 0.000 0.269 216 E C -0.200 176.223 176.600 -0.295 0.000 1.047 216 E CA -0.131 55.834 56.400 -0.725 0.000 0.874 216 E CB 1.279 30.493 29.700 -0.810 0.000 1.033 216 E HN 0.495 nan 8.360 nan 0.000 0.409 217 V N 0.544 120.307 119.914 -0.252 0.000 3.219 217 V HA 0.198 4.322 4.120 0.008 0.000 0.214 217 V C 1.030 177.067 176.094 -0.095 0.000 1.433 217 V CA 0.158 62.387 62.300 -0.119 0.000 1.301 217 V CB -0.268 31.514 31.823 -0.069 0.000 1.160 217 V HN 0.572 nan 8.190 nan 0.000 0.505 218 N N 1.266 119.901 118.700 -0.108 0.000 2.410 218 N HA 0.159 4.904 4.740 0.008 0.000 0.231 218 N C 0.614 176.088 175.510 -0.060 0.000 1.172 218 N CA 0.824 53.832 53.050 -0.070 0.000 0.849 218 N CB -0.460 37.986 38.487 -0.068 0.000 1.116 218 N HN 0.538 nan 8.380 nan 0.000 0.485 219 S N -2.262 113.395 115.700 -0.072 0.000 3.270 219 S HA -0.189 4.285 4.470 0.008 0.000 0.293 219 S C 0.915 175.501 174.600 -0.022 0.000 1.278 219 S CA 1.181 59.358 58.200 -0.037 0.000 1.038 219 S CB -1.538 61.659 63.200 -0.004 0.000 1.218 219 S HN 0.761 nan 8.310 nan 0.000 0.659 220 G N -1.308 107.457 108.800 -0.058 0.000 4.476 220 G HA2 0.473 4.437 3.960 0.008 0.000 0.169 220 G HA3 0.473 4.437 3.960 0.008 0.000 0.169 220 G C -0.224 174.717 174.900 0.068 0.000 0.802 220 G CA 0.518 45.640 45.100 0.037 0.000 0.782 220 G HN 1.116 nan 8.290 nan 0.000 0.461 221 A N 0.207 122.975 122.820 -0.087 0.000 2.320 221 A HA 0.886 5.211 4.320 0.008 0.000 0.334 221 A C -1.296 176.227 177.584 -0.102 0.000 1.147 221 A CA -0.504 51.484 52.037 -0.080 0.000 0.820 221 A CB 1.134 20.008 19.000 -0.209 0.000 1.218 221 A HN 0.206 nan 8.150 nan 0.000 0.482 222 F N 0.472 120.582 119.950 0.268 0.000 2.522 222 F HA 0.631 5.163 4.527 0.008 0.000 0.324 222 F C 0.399 176.511 175.800 0.520 0.000 1.077 222 F CA -0.454 57.799 58.000 0.422 0.000 0.944 222 F CB 2.283 41.569 39.000 0.476 0.000 1.175 222 F HN 0.579 nan 8.300 nan 0.000 0.468 223 K N 2.690 123.407 120.400 0.528 0.000 2.443 223 K HA 0.367 4.692 4.320 0.008 0.000 0.252 223 K C -1.131 175.426 176.600 -0.072 0.000 0.933 223 K CA -0.859 55.568 56.287 0.234 0.000 0.792 223 K CB 1.853 34.395 32.500 0.068 0.000 1.185 223 K HN 0.669 nan 8.250 nan 0.000 0.425 224 K N 5.036 124.989 120.400 -0.747 0.000 2.416 224 K HA 0.102 4.426 4.320 0.008 0.000 0.283 224 K C 0.774 177.059 176.600 -0.525 0.000 1.037 224 K CA 0.040 55.592 56.287 -1.224 0.000 0.995 224 K CB 0.289 31.859 32.500 -1.550 0.000 0.938 224 K HN 0.707 nan 8.250 nan 0.000 0.475 225 I N 0.676 121.020 120.570 -0.377 0.000 4.403 225 I HA 0.186 4.360 4.170 0.008 0.000 0.331 225 I C -0.744 175.253 176.117 -0.200 0.000 1.327 225 I CA -0.579 60.593 61.300 -0.213 0.000 1.175 225 I CB 1.149 39.085 38.000 -0.106 0.000 1.165 225 I HN 0.068 nan 8.210 nan 0.000 0.413 226 V N 2.658 122.415 119.914 -0.262 0.000 2.445 226 V HA 0.422 4.547 4.120 0.008 0.000 0.283 226 V C -1.452 174.464 176.094 -0.296 0.000 1.014 226 V CA -0.194 61.940 62.300 -0.276 0.000 0.852 226 V CB 1.409 33.009 31.823 -0.372 0.000 1.021 226 V HN 0.220 nan 8.190 nan 0.000 0.435 227 D N 4.906 125.156 120.400 -0.250 0.000 2.552 227 D HA 0.391 5.036 4.640 0.008 0.000 0.285 227 D C -0.057 176.135 176.300 -0.180 0.000 1.206 227 D CA -0.250 53.621 54.000 -0.216 0.000 0.826 227 D CB 0.776 41.451 40.800 -0.208 0.000 1.179 227 D HN 0.387 nan 8.370 nan 0.000 0.508 228 M N 0.029 119.509 119.600 -0.200 0.000 2.103 228 M HA 0.091 4.575 4.480 0.008 0.000 0.291 228 M C 2.041 178.258 176.300 -0.138 0.000 1.216 228 M CA -0.059 55.144 55.300 -0.162 0.000 1.132 228 M CB 0.961 33.449 32.600 -0.186 0.000 1.396 228 M HN 0.210 nan 8.290 nan 0.000 0.479 229 S N -1.361 114.272 115.700 -0.111 0.000 2.428 229 S HA -0.041 4.434 4.470 0.008 0.000 0.230 229 S C 0.833 175.355 174.600 -0.129 0.000 1.014 229 S CA 0.935 59.078 58.200 -0.096 0.000 0.957 229 S CB -0.757 62.406 63.200 -0.061 0.000 0.784 229 S HN 0.850 nan 8.310 nan 0.000 0.499 230 T N -1.074 113.408 114.554 -0.121 0.000 2.910 230 T HA 0.465 4.819 4.350 0.008 0.000 0.279 230 T C -0.296 174.355 174.700 -0.081 0.000 0.989 230 T CA -0.726 61.309 62.100 -0.109 0.000 0.968 230 T CB 0.565 69.405 68.868 -0.047 0.000 1.135 230 T HN 0.347 nan 8.240 nan 0.000 0.562 231 H N -0.690 118.309 119.070 -0.118 0.000 2.764 231 H HA 0.501 5.062 4.556 0.008 0.000 0.341 231 H C -0.886 174.401 175.328 -0.069 0.000 1.072 231 H CA -0.111 55.900 56.048 -0.062 0.000 1.444 231 H CB 0.211 30.004 29.762 0.052 0.000 1.458 231 H HN 0.473 nan 8.280 nan 0.000 0.572 232 V N 5.467 124.990 119.914 -0.652 0.000 2.495 232 V HA 0.421 4.545 4.120 0.008 0.000 0.298 232 V C -0.374 175.294 176.094 -0.709 0.000 1.031 232 V CA -0.201 61.757 62.300 -0.571 0.000 0.871 232 V CB 1.353 32.812 31.823 -0.608 0.000 0.988 232 V HN 1.023 nan 8.190 nan 0.000 0.432 233 S N 1.995 117.484 115.700 -0.352 0.000 2.661 233 S HA 0.640 5.115 4.470 0.008 0.000 0.285 233 S C -0.105 174.463 174.600 -0.053 0.000 1.138 233 S CA -0.361 57.721 58.200 -0.196 0.000 0.855 233 S CB 1.789 64.986 63.200 -0.005 0.000 1.136 233 S HN 1.001 nan 8.310 nan 0.000 0.484 234 S N 1.880 117.546 115.700 -0.057 0.000 3.447 234 S HA -0.078 4.396 4.470 0.008 0.000 0.371 234 S C -2.226 172.350 174.600 -0.039 0.000 0.951 234 S CA 0.717 58.912 58.200 -0.009 0.000 1.269 234 S CB -1.837 61.452 63.200 0.148 0.000 0.919 234 S HN 0.780 nan 8.310 nan 0.000 0.516 235 P HA 0.494 nan 4.420 nan 0.000 0.275 235 P C -0.029 177.333 177.300 0.103 0.000 1.228 235 P CA -0.261 62.835 63.100 -0.007 0.000 0.786 235 P CB 1.313 32.950 31.700 -0.105 0.000 0.927 236 V N 0.045 120.080 119.914 0.200 0.000 3.216 236 V HA 0.625 4.750 4.120 0.008 0.000 0.302 236 V C -0.744 175.503 176.094 0.256 0.000 1.286 236 V CA -1.089 61.343 62.300 0.221 0.000 1.048 236 V CB 2.104 34.055 31.823 0.213 0.000 1.081 236 V HN 0.333 nan 8.190 nan 0.000 0.442 237 I N 1.238 121.941 120.570 0.222 0.000 2.466 237 I HA 0.680 4.854 4.170 0.008 0.000 0.289 237 I C -1.166 175.060 176.117 0.182 0.000 1.026 237 I CA -0.972 60.460 61.300 0.220 0.000 1.078 237 I CB 2.220 40.306 38.000 0.144 0.000 1.249 237 I HN 0.454 nan 8.210 nan 0.000 0.429 238 V N 5.581 125.635 119.914 0.233 0.000 2.409 238 V HA 0.698 4.822 4.120 0.008 0.000 0.290 238 V C 0.692 176.891 176.094 0.176 0.000 1.017 238 V CA 0.151 62.531 62.300 0.134 0.000 0.841 238 V CB 0.685 32.502 31.823 -0.010 0.000 1.003 238 V HN 1.149 nan 8.190 nan 0.000 0.426 239 G N 4.559 113.420 108.800 0.101 0.000 2.559 239 G HA2 -0.292 3.673 3.960 0.008 0.000 0.282 239 G HA3 -0.292 3.673 3.960 0.008 0.000 0.282 239 G C 0.155 175.071 174.900 0.027 0.000 1.177 239 G CA 0.756 45.940 45.100 0.139 0.000 0.960 239 G HN 0.857 nan 8.290 nan 0.000 0.540 240 H N 1.621 120.766 119.070 0.124 0.000 2.492 240 H HA 0.539 5.100 4.556 0.008 0.000 0.264 240 H C 0.752 176.143 175.328 0.104 0.000 1.150 240 H CA -0.110 56.002 56.048 0.106 0.000 0.962 240 H CB 0.404 30.213 29.762 0.078 0.000 1.766 240 H HN 0.430 nan 8.280 nan 0.000 0.589 241 R N 0.385 120.997 120.500 0.187 0.000 2.750 241 R HA 0.544 4.889 4.340 0.008 0.000 0.281 241 R C -0.879 175.497 176.300 0.126 0.000 0.972 241 R CA -0.914 55.249 56.100 0.104 0.000 0.912 241 R CB 2.526 32.839 30.300 0.021 0.000 1.187 241 R HN 0.090 nan 8.270 nan 0.000 0.464 242 I N 2.821 123.413 120.570 0.036 0.000 2.330 242 I HA 0.281 4.456 4.170 0.008 0.000 0.289 242 I C -0.872 175.252 176.117 0.012 0.000 1.001 242 I CA -0.627 60.760 61.300 0.146 0.000 1.193 242 I CB 0.714 38.833 38.000 0.197 0.000 1.345 242 I HN 0.364 nan 8.210 nan 0.000 0.461 243 Y N 6.915 127.254 120.300 0.064 0.000 2.361 243 Y HA 0.628 5.182 4.550 0.008 0.000 0.332 243 Y C -0.024 175.878 175.900 0.004 0.000 1.101 243 Y CA -0.557 57.478 58.100 -0.107 0.000 1.137 243 Y CB 1.236 39.639 38.460 -0.094 0.000 1.207 243 Y HN 0.455 nan 8.280 nan 0.000 0.463 244 F N -0.319 119.701 119.950 0.117 0.000 2.831 244 F HA 0.816 5.348 4.527 0.008 0.000 0.318 244 F C -1.870 173.967 175.800 0.061 0.000 1.174 244 F CA -1.954 56.070 58.000 0.039 0.000 0.918 244 F CB 0.932 39.907 39.000 -0.042 0.000 1.364 244 F HN 0.156 nan 8.300 nan 0.000 0.475 245 I N 0.663 121.447 120.570 0.358 0.000 2.646 245 I HA 0.743 4.917 4.170 0.008 0.000 0.299 245 I C -0.492 175.783 176.117 0.263 0.000 1.036 245 I CA -0.711 60.745 61.300 0.259 0.000 1.074 245 I CB 2.237 40.334 38.000 0.162 0.000 1.258 245 I HN 0.862 nan 8.210 nan 0.000 0.430 246 T N 1.562 116.251 114.554 0.224 0.000 2.827 246 T HA 0.210 4.565 4.350 0.008 0.000 0.328 246 T C -1.719 173.053 174.700 0.120 0.000 1.598 246 T CA -0.635 61.527 62.100 0.103 0.000 1.043 246 T CB 1.348 70.190 68.868 -0.043 0.000 1.447 246 T HN 0.779 nan 8.240 nan 0.000 0.491 247 D N 2.573 123.036 120.400 0.105 0.000 2.772 247 D HA 0.142 4.787 4.640 0.008 0.000 0.272 247 D C 1.397 177.751 176.300 0.090 0.000 1.314 247 D CA -0.428 53.638 54.000 0.109 0.000 0.835 247 D CB -0.184 40.715 40.800 0.165 0.000 1.080 247 D HN 0.390 nan 8.370 nan 0.000 0.482 248 I N 0.679 121.259 120.570 0.017 0.000 2.381 248 I HA -0.262 3.912 4.170 0.008 0.000 0.255 248 I C 0.552 176.701 176.117 0.053 0.000 1.140 248 I CA 1.580 62.874 61.300 -0.009 0.000 1.404 248 I CB 0.164 38.097 38.000 -0.112 0.000 1.075 248 I HN -0.131 nan 8.210 nan 0.000 0.433 249 D N 0.046 120.513 120.400 0.112 0.000 2.349 249 D HA 0.277 4.921 4.640 0.008 0.000 0.214 249 D C 1.570 177.945 176.300 0.126 0.000 1.063 249 D CA 0.954 55.025 54.000 0.118 0.000 0.847 249 D CB 0.455 41.343 40.800 0.146 0.000 0.933 249 D HN 0.473 nan 8.370 nan 0.000 0.513 250 G N -0.057 108.832 108.800 0.148 0.000 2.201 250 G HA2 -0.196 3.769 3.960 0.008 0.000 0.212 250 G HA3 -0.196 3.769 3.960 0.008 0.000 0.212 250 G C 0.062 175.130 174.900 0.280 0.000 0.994 250 G CA -0.310 44.904 45.100 0.191 0.000 0.644 250 G HN 0.290 nan 8.290 nan 0.000 0.508 251 F N 0.259 120.201 119.950 -0.015 0.000 2.693 251 F HA 0.578 5.110 4.527 0.008 0.000 0.309 251 F C 0.387 175.970 175.800 -0.361 0.000 1.129 251 F CA -0.106 57.742 58.000 -0.253 0.000 0.948 251 F CB 1.174 40.066 39.000 -0.180 0.000 1.315 251 F HN 0.389 nan 8.300 nan 0.000 0.447 252 G N 3.672 111.693 108.800 -1.298 0.000 2.354 252 G HA2 0.500 4.465 3.960 0.008 0.000 0.266 252 G HA3 0.500 4.465 3.960 0.008 0.000 0.266 252 G C -1.182 173.714 174.900 -0.006 0.000 1.242 252 G CA -0.132 44.633 45.100 -0.559 0.000 0.923 252 G HN 0.414 nan 8.290 nan 0.000 0.476 253 Q N 1.142 121.019 119.800 0.130 0.000 2.495 253 Q HA 0.398 4.742 4.340 0.008 0.000 0.287 253 Q C -0.515 175.509 176.000 0.040 0.000 1.078 253 Q CA -0.785 55.054 55.803 0.061 0.000 0.793 253 Q CB 2.511 31.182 28.738 -0.113 0.000 1.459 253 Q HN 0.528 nan 8.270 nan 0.000 0.422 254 I N 1.690 122.142 120.570 -0.195 0.000 2.342 254 I HA 0.305 4.480 4.170 0.008 0.000 0.291 254 I C -0.731 175.235 176.117 -0.252 0.000 1.010 254 I CA -0.300 60.872 61.300 -0.213 0.000 1.308 254 I CB 0.384 38.113 38.000 -0.453 0.000 1.400 254 I HN 0.425 nan 8.210 nan 0.000 0.488 255 Y N 3.408 123.491 120.300 -0.363 0.000 2.753 255 Y HA 0.673 5.228 4.550 0.008 0.000 0.324 255 Y C 0.298 175.738 175.900 -0.767 0.000 1.147 255 Y CA -0.758 57.084 58.100 -0.431 0.000 1.173 255 Y CB 1.926 40.065 38.460 -0.536 0.000 1.361 255 Y HN 0.567 nan 8.280 nan 0.000 0.545 256 S N -0.675 114.743 115.700 -0.470 0.000 2.567 256 S HA 0.793 5.268 4.470 0.008 0.000 0.270 256 S C -1.030 173.413 174.600 -0.261 0.000 1.152 256 S CA -0.260 57.545 58.200 -0.659 0.000 0.835 256 S CB 1.604 64.058 63.200 -1.244 0.000 1.115 256 S HN 1.070 nan 8.310 nan 0.000 0.459 257 T N -1.341 113.130 114.554 -0.139 0.000 2.754 257 T HA 0.721 5.075 4.350 0.008 0.000 0.296 257 T C -1.216 173.486 174.700 0.004 0.000 1.205 257 T CA -0.432 61.669 62.100 0.003 0.000 1.009 257 T CB 0.787 69.725 68.868 0.116 0.000 1.368 257 T HN 0.859 nan 8.240 nan 0.000 0.509 258 D N 0.258 120.677 120.400 0.032 0.000 2.447 258 D HA 0.277 4.921 4.640 0.008 0.000 0.265 258 D C 1.101 177.439 176.300 0.064 0.000 1.250 258 D CA -1.048 52.984 54.000 0.054 0.000 1.046 258 D CB 0.117 40.948 40.800 0.052 0.000 1.095 258 D HN 0.546 nan 8.370 nan 0.000 0.555 259 L N -0.671 120.601 121.223 0.081 0.000 2.821 259 L HA 0.070 4.415 4.340 0.008 0.000 0.254 259 L C 0.481 177.377 176.870 0.043 0.000 1.151 259 L CA 0.615 55.498 54.840 0.072 0.000 0.937 259 L CB -0.609 41.508 42.059 0.096 0.000 1.141 259 L HN 0.373 nan 8.230 nan 0.000 0.425 260 D N -0.259 120.159 120.400 0.030 0.000 2.525 260 D HA 0.124 4.769 4.640 0.008 0.000 0.231 260 D C 1.407 177.700 176.300 -0.011 0.000 1.216 260 D CA 0.699 54.702 54.000 0.005 0.000 0.813 260 D CB 1.203 42.006 40.800 0.005 0.000 1.108 260 D HN 0.266 nan 8.370 nan 0.000 0.524 261 G N 1.919 110.723 108.800 0.005 0.000 2.153 261 G HA2 -0.260 3.704 3.960 0.008 0.000 0.252 261 G HA3 -0.260 3.704 3.960 0.008 0.000 0.252 261 G C 0.439 175.341 174.900 0.004 0.000 0.994 261 G CA 0.447 45.546 45.100 -0.002 0.000 0.698 261 G HN 0.127 nan 8.290 nan 0.000 0.521 262 K N -0.054 120.352 120.400 0.011 0.000 2.211 262 K HA 0.540 4.865 4.320 0.008 0.000 0.237 262 K C 0.425 177.034 176.600 0.015 0.000 1.002 262 K CA -0.325 55.966 56.287 0.007 0.000 0.885 262 K CB 0.846 33.347 32.500 0.001 0.000 1.136 262 K HN 0.112 nan 8.250 nan 0.000 0.448 263 D N 0.998 121.403 120.400 0.008 0.000 2.718 263 D HA -0.170 4.474 4.640 0.008 0.000 0.242 263 D C -0.847 175.456 176.300 0.005 0.000 1.123 263 D CA 0.164 54.166 54.000 0.004 0.000 0.690 263 D CB -0.897 39.906 40.800 0.006 0.000 1.059 263 D HN 0.381 nan 8.370 nan 0.000 0.429 264 L N 1.070 122.305 121.223 0.019 0.000 2.540 264 L HA 0.277 4.621 4.340 0.008 0.000 0.276 264 L C 0.419 177.297 176.870 0.012 0.000 1.212 264 L CA 0.916 55.782 54.840 0.044 0.000 0.893 264 L CB 0.310 42.409 42.059 0.067 0.000 1.138 264 L HN 0.209 nan 8.230 nan 0.000 0.491 265 R N 4.134 124.625 120.500 -0.015 0.000 2.673 265 R HA 0.413 4.758 4.340 0.008 0.000 0.281 265 R C -1.161 174.947 176.300 -0.320 0.000 0.991 265 R CA -1.015 54.972 56.100 -0.189 0.000 0.896 265 R CB 1.855 31.958 30.300 -0.327 0.000 1.201 265 R HN 0.519 nan 8.270 nan 0.000 0.457 266 K N 1.650 121.759 120.400 -0.485 0.000 2.293 266 K HA 0.234 4.558 4.320 0.008 0.000 0.267 266 K C -0.300 175.897 176.600 -0.671 0.000 1.010 266 K CA -0.335 55.486 56.287 -0.778 0.000 0.875 266 K CB 0.706 32.840 32.500 -0.611 0.000 1.106 266 K HN 0.658 nan 8.250 nan 0.000 0.450 267 H N 0.475 119.254 119.070 -0.485 0.000 2.654 267 H HA 0.079 4.640 4.556 0.008 0.000 0.264 267 H C 0.117 175.217 175.328 -0.381 0.000 0.954 267 H CA 0.460 56.325 56.048 -0.305 0.000 1.199 267 H CB 0.894 30.511 29.762 -0.242 0.000 1.446 267 H HN 0.641 nan 8.280 nan 0.000 0.516 268 T N -2.624 111.654 114.554 -0.459 0.000 2.926 268 T HA 0.602 4.957 4.350 0.008 0.000 0.289 268 T C 0.286 174.606 174.700 -0.633 0.000 1.054 268 T CA -0.962 60.721 62.100 -0.695 0.000 1.015 268 T CB 2.145 70.297 68.868 -1.194 0.000 1.167 268 T HN -0.051 nan 8.240 nan 0.000 0.526 269 S N 0.231 115.510 115.700 -0.702 0.000 2.825 269 S HA 0.354 4.828 4.470 0.008 0.000 0.242 269 S C -0.316 174.090 174.600 -0.324 0.000 0.980 269 S CA -0.782 57.175 58.200 -0.405 0.000 1.107 269 S CB -0.558 62.484 63.200 -0.264 0.000 1.172 269 S HN 0.614 nan 8.310 nan 0.000 0.483 270 F N 2.009 121.903 119.950 -0.092 0.000 2.586 270 F HA 0.151 4.683 4.527 0.008 0.000 0.335 270 F C 2.059 177.628 175.800 -0.385 0.000 1.210 270 F CA 0.679 58.621 58.000 -0.097 0.000 1.359 270 F CB 0.614 39.665 39.000 0.083 0.000 1.142 270 F HN 0.297 nan 8.300 nan 0.000 0.606 271 T N -4.681 109.710 114.554 -0.271 0.000 3.074 271 T HA 0.006 4.360 4.350 0.008 0.000 0.258 271 T C 0.882 175.243 174.700 -0.565 0.000 0.891 271 T CA 0.228 61.850 62.100 -0.798 0.000 0.867 271 T CB -0.236 68.364 68.868 -0.447 0.000 1.261 271 T HN 0.539 nan 8.240 nan 0.000 0.537 272 D N 1.256 121.532 120.400 -0.208 0.000 2.085 272 D HA 0.060 4.705 4.640 0.008 0.000 0.199 272 D C 0.165 176.190 176.300 -0.458 0.000 0.981 272 D CA 1.080 54.879 54.000 -0.334 0.000 0.834 272 D CB -0.371 40.312 40.800 -0.195 0.000 0.992 272 D HN 0.580 nan 8.370 nan 0.000 0.457 273 Y N -2.368 118.163 120.300 0.385 0.000 2.597 273 Y HA 0.384 4.939 4.550 0.008 0.000 0.340 273 Y C -0.862 175.272 175.900 0.389 0.000 1.097 273 Y CA -1.556 56.791 58.100 0.411 0.000 1.037 273 Y CB 1.106 39.681 38.460 0.191 0.000 1.305 273 Y HN -0.242 nan 8.280 nan 0.000 0.463 274 Y N 3.729 124.127 120.300 0.163 0.000 2.425 274 Y HA 0.172 4.727 4.550 0.008 0.000 0.331 274 Y C -2.067 173.872 175.900 0.065 0.000 1.157 274 Y CA -2.300 55.778 58.100 -0.036 0.000 1.372 274 Y CB 0.136 38.543 38.460 -0.089 0.000 1.253 274 Y HN 0.163 nan 8.280 nan 0.000 0.536 275 P HA 0.321 nan 4.420 nan 0.000 0.282 275 P C -0.549 176.873 177.300 0.204 0.000 1.249 275 P CA -0.343 62.797 63.100 0.068 0.000 0.806 275 P CB 1.642 33.168 31.700 -0.290 0.000 0.984 276 R N 0.146 120.833 120.500 0.313 0.000 2.846 276 R HA 0.291 4.635 4.340 0.008 0.000 0.263 276 R C -0.214 176.347 176.300 0.434 0.000 1.080 276 R CA -1.096 55.204 56.100 0.334 0.000 0.961 276 R CB -0.336 30.161 30.300 0.330 0.000 1.231 276 R HN 0.668 nan 8.270 nan 0.000 0.465 277 H N 0.325 119.569 119.070 0.290 0.000 2.604 277 H HA -0.142 4.419 4.556 0.008 0.000 0.321 277 H C -0.603 174.917 175.328 0.320 0.000 1.132 277 H CA 0.201 56.430 56.048 0.303 0.000 1.129 277 H CB -1.089 28.843 29.762 0.284 0.000 1.526 277 H HN 0.292 nan 8.280 nan 0.000 0.415 278 L N 1.192 122.590 121.223 0.291 0.000 2.485 278 L HA 0.113 4.457 4.340 0.008 0.000 0.275 278 L C 0.900 177.928 176.870 0.263 0.000 1.207 278 L CA 0.938 55.950 54.840 0.288 0.000 0.855 278 L CB 0.552 42.733 42.059 0.202 0.000 1.114 278 L HN 0.599 nan 8.230 nan 0.000 0.485 279 N N 0.229 119.111 118.700 0.305 0.000 2.710 279 N HA 0.532 5.276 4.740 0.008 0.000 0.257 279 N C -1.268 174.403 175.510 0.269 0.000 1.327 279 N CA -0.540 52.685 53.050 0.293 0.000 0.861 279 N CB 2.510 41.208 38.487 0.351 0.000 1.532 279 N HN 0.534 nan 8.380 nan 0.000 0.499 280 T N -1.188 113.513 114.554 0.244 0.000 2.731 280 T HA 0.271 4.625 4.350 0.008 0.000 0.300 280 T C -1.496 173.310 174.700 0.177 0.000 1.283 280 T CA -0.398 61.815 62.100 0.190 0.000 1.005 280 T CB 1.114 70.063 68.868 0.135 0.000 1.420 280 T HN 0.705 nan 8.240 nan 0.000 0.503 281 D N -1.092 119.372 120.400 0.106 0.000 2.520 281 D HA 0.353 4.998 4.640 0.008 0.000 0.223 281 D C 1.275 177.585 176.300 0.017 0.000 1.186 281 D CA 0.815 54.847 54.000 0.053 0.000 0.821 281 D CB 0.183 40.948 40.800 -0.059 0.000 1.072 281 D HN 1.126 nan 8.370 nan 0.000 0.518 282 G N 0.799 109.621 108.800 0.036 0.000 2.238 282 G HA2 -0.314 3.651 3.960 0.008 0.000 0.217 282 G HA3 -0.314 3.651 3.960 0.008 0.000 0.217 282 G C 1.283 176.182 174.900 -0.000 0.000 0.996 282 G CA 0.196 45.311 45.100 0.025 0.000 0.632 282 G HN 0.407 nan 8.290 nan 0.000 0.503 283 R N -0.358 120.129 120.500 -0.022 0.000 2.197 283 R HA 0.409 4.754 4.340 0.008 0.000 0.188 283 R C 0.861 177.124 176.300 -0.061 0.000 1.015 283 R CA 0.335 56.410 56.100 -0.041 0.000 1.132 283 R CB 0.383 30.652 30.300 -0.051 0.000 1.134 283 R HN 0.318 nan 8.270 nan 0.000 0.560 284 R N 0.565 121.044 120.500 -0.036 0.000 2.803 284 R HA 0.501 4.845 4.340 0.008 0.000 0.276 284 R C -0.860 175.472 176.300 0.053 0.000 0.978 284 R CA -0.596 55.488 56.100 -0.026 0.000 0.939 284 R CB 2.096 32.392 30.300 -0.007 0.000 1.179 284 R HN -0.064 nan 8.270 nan 0.000 0.472 285 I N 2.266 122.905 120.570 0.116 0.000 2.428 285 I HA 0.319 4.493 4.170 0.008 0.000 0.296 285 I C -0.778 175.541 176.117 0.337 0.000 0.985 285 I CA -0.921 60.518 61.300 0.231 0.000 1.260 285 I CB 1.451 39.624 38.000 0.288 0.000 1.389 285 I HN 0.266 nan 8.210 nan 0.000 0.484 286 L N 7.592 129.024 121.223 0.349 0.000 2.354 286 L HA 0.744 5.088 4.340 0.008 0.000 0.269 286 L C -1.059 176.097 176.870 0.475 0.000 1.005 286 L CA -0.349 54.694 54.840 0.338 0.000 0.819 286 L CB 1.705 43.923 42.059 0.266 0.000 1.311 286 L HN 0.541 nan 8.230 nan 0.000 0.423 287 F N 0.437 120.531 119.950 0.240 0.000 2.807 287 F HA 0.788 5.319 4.527 0.008 0.000 0.316 287 F C -1.143 174.792 175.800 0.225 0.000 1.162 287 F CA -0.527 57.618 58.000 0.242 0.000 0.910 287 F CB 0.921 40.045 39.000 0.207 0.000 1.314 287 F HN 0.550 nan 8.300 nan 0.000 0.454 288 S N 1.000 116.913 115.700 0.355 0.000 2.600 288 S HA 0.833 5.308 4.470 0.008 0.000 0.300 288 S C -1.330 173.462 174.600 0.320 0.000 1.087 288 S CA -0.701 57.616 58.200 0.195 0.000 0.965 288 S CB 2.181 65.456 63.200 0.126 0.000 1.089 288 S HN 1.102 nan 8.310 nan 0.000 0.496 289 K N 0.247 120.793 120.400 0.243 0.000 2.575 289 K HA 0.465 4.789 4.320 0.008 0.000 0.255 289 K C 0.333 177.012 176.600 0.132 0.000 0.953 289 K CA 0.137 56.544 56.287 0.199 0.000 0.840 289 K CB 0.689 33.225 32.500 0.059 0.000 1.303 289 K HN 1.615 nan 8.250 nan 0.000 0.438 290 G N 2.439 111.202 108.800 -0.061 0.000 2.258 290 G HA2 -0.213 3.751 3.960 0.008 0.000 0.274 290 G HA3 -0.213 3.751 3.960 0.008 0.000 0.274 290 G C 0.781 175.513 174.900 -0.279 0.000 1.021 290 G CA 0.865 45.657 45.100 -0.513 0.000 0.798 290 G HN 1.755 nan 8.290 nan 0.000 0.507 291 G N -2.685 106.030 108.800 -0.141 0.000 2.157 291 G HA2 0.033 3.997 3.960 0.008 0.000 0.248 291 G HA3 0.033 3.997 3.960 0.008 0.000 0.248 291 G C 0.270 175.090 174.900 -0.133 0.000 0.979 291 G CA 0.698 45.724 45.100 -0.122 0.000 0.650 291 G HN 1.746 nan 8.290 nan 0.000 0.529 292 S N -0.754 114.881 115.700 -0.107 0.000 2.599 292 S HA 0.797 5.272 4.470 0.008 0.000 0.294 292 S C -0.252 174.153 174.600 -0.326 0.000 1.094 292 S CA -0.619 57.421 58.200 -0.266 0.000 0.931 292 S CB 2.109 65.111 63.200 -0.330 0.000 1.093 292 S HN 0.379 nan 8.310 nan 0.000 0.488 293 I N 2.254 122.498 120.570 -0.543 0.000 2.392 293 I HA 0.447 4.622 4.170 0.008 0.000 0.295 293 I C -1.183 174.497 176.117 -0.729 0.000 0.985 293 I CA -0.239 60.762 61.300 -0.498 0.000 1.221 293 I CB 0.790 38.507 38.000 -0.471 0.000 1.366 293 I HN 0.545 nan 8.210 nan 0.000 0.467 294 Y N 5.434 125.362 120.300 -0.621 0.000 2.598 294 Y HA 0.677 5.231 4.550 0.008 0.000 0.340 294 Y C -0.182 175.447 175.900 -0.453 0.000 1.038 294 Y CA -0.882 56.846 58.100 -0.620 0.000 1.100 294 Y CB 1.515 39.405 38.460 -0.950 0.000 1.281 294 Y HN 0.239 nan 8.280 nan 0.000 0.488 295 I N 1.848 122.441 120.570 0.037 0.000 2.569 295 I HA 0.311 4.485 4.170 0.008 0.000 0.296 295 I C -1.538 174.798 176.117 0.365 0.000 1.028 295 I CA -0.836 60.565 61.300 0.167 0.000 1.082 295 I CB 2.093 40.149 38.000 0.093 0.000 1.264 295 I HN 0.434 nan 8.210 nan 0.000 0.429 296 F N 6.376 126.466 119.950 0.233 0.000 2.477 296 F HA 0.401 4.932 4.527 0.008 0.000 0.335 296 F C -0.533 175.301 175.800 0.057 0.000 1.130 296 F CA -0.624 57.492 58.000 0.193 0.000 0.948 296 F CB 1.237 40.371 39.000 0.224 0.000 1.154 296 F HN 0.395 nan 8.300 nan 0.000 0.439 297 N N 7.826 126.149 118.700 -0.628 0.000 2.469 297 N HA 0.313 5.058 4.740 0.008 0.000 0.253 297 N C -2.178 172.758 175.510 -0.956 0.000 0.970 297 N CA -1.977 50.731 53.050 -0.570 0.000 0.940 297 N CB 1.766 40.092 38.487 -0.267 0.000 1.128 297 N HN 0.308 nan 8.380 nan 0.000 0.503 298 P HA -0.122 nan 4.420 nan 0.000 0.216 298 P C 0.128 177.290 177.300 -0.231 0.000 1.150 298 P CA 1.147 63.903 63.100 -0.573 0.000 0.843 298 P CB 0.322 31.827 31.700 -0.324 0.000 0.787 299 D N -1.954 118.335 120.400 -0.185 0.000 2.149 299 D HA -0.068 4.577 4.640 0.008 0.000 0.201 299 D C 1.702 177.958 176.300 -0.074 0.000 0.972 299 D CA 1.348 55.300 54.000 -0.080 0.000 0.835 299 D CB -0.861 39.902 40.800 -0.061 0.000 0.966 299 D HN 0.147 nan 8.370 nan 0.000 0.476 300 T N -0.616 113.860 114.554 -0.130 0.000 3.044 300 T HA -0.000 4.355 4.350 0.008 0.000 0.255 300 T C 0.802 175.462 174.700 -0.066 0.000 1.073 300 T CA 0.421 62.472 62.100 -0.083 0.000 1.125 300 T CB 0.396 69.215 68.868 -0.082 0.000 0.908 300 T HN 0.243 nan 8.240 nan 0.000 0.480 301 E N 0.419 120.525 120.200 -0.158 0.000 3.286 301 E HA -0.204 4.151 4.350 0.008 0.000 0.292 301 E C 0.018 176.675 176.600 0.096 0.000 0.928 301 E CA 0.508 56.909 56.400 0.002 0.000 0.982 301 E CB -0.735 29.061 29.700 0.161 0.000 1.500 301 E HN 0.413 nan 8.360 nan 0.000 0.441 302 K N 0.860 121.254 120.400 -0.011 0.000 2.159 302 K HA 0.557 4.881 4.320 0.008 0.000 0.266 302 K C -0.421 176.279 176.600 0.166 0.000 0.975 302 K CA -0.565 55.771 56.287 0.082 0.000 0.865 302 K CB 0.788 33.311 32.500 0.039 0.000 1.087 302 K HN 0.130 nan 8.250 nan 0.000 0.446 303 I N 3.667 124.394 120.570 0.260 0.000 2.433 303 I HA 0.269 4.443 4.170 0.008 0.000 0.292 303 I C -0.489 175.805 176.117 0.295 0.000 1.001 303 I CA -0.653 60.869 61.300 0.370 0.000 1.119 303 I CB 1.898 40.201 38.000 0.506 0.000 1.289 303 I HN 0.667 nan 8.210 nan 0.000 0.438 304 E N 5.064 125.429 120.200 0.274 0.000 2.317 304 E HA 0.455 4.809 4.350 0.008 0.000 0.270 304 E C -1.289 175.394 176.600 0.139 0.000 0.885 304 E CA -1.246 55.270 56.400 0.193 0.000 0.760 304 E CB 2.484 32.241 29.700 0.094 0.000 1.227 304 E HN 0.398 nan 8.360 nan 0.000 0.434 305 K N 3.243 123.652 120.400 0.016 0.000 2.234 305 K HA 0.299 4.623 4.320 0.008 0.000 0.282 305 K C -0.573 175.839 176.600 -0.314 0.000 1.039 305 K CA -0.534 55.520 56.287 -0.388 0.000 0.928 305 K CB 0.678 32.948 32.500 -0.384 0.000 1.039 305 K HN 0.540 nan 8.250 nan 0.000 0.470 306 I N 4.028 124.346 120.570 -0.420 0.000 2.474 306 I HA 0.053 4.227 4.170 0.008 0.000 0.287 306 I C 0.298 176.196 176.117 -0.365 0.000 1.048 306 I CA -0.412 60.684 61.300 -0.340 0.000 1.383 306 I CB 1.065 38.823 38.000 -0.403 0.000 1.412 306 I HN 0.505 nan 8.210 nan 0.000 0.531 307 E N 7.142 127.189 120.200 -0.255 0.000 2.089 307 E HA 0.282 4.636 4.350 0.008 0.000 0.284 307 E C 0.465 176.923 176.600 -0.237 0.000 1.023 307 E CA -0.005 56.271 56.400 -0.207 0.000 0.819 307 E CB 1.803 31.444 29.700 -0.099 0.000 1.076 307 E HN 0.565 nan 8.360 nan 0.000 0.396 308 I N 0.855 121.255 120.570 -0.283 0.000 3.971 308 I HA 0.132 4.306 4.170 0.008 0.000 0.303 308 I C 1.152 177.190 176.117 -0.131 0.000 1.233 308 I CA 0.454 61.605 61.300 -0.248 0.000 1.346 308 I CB 0.238 37.985 38.000 -0.422 0.000 1.273 308 I HN 0.655 nan 8.210 nan 0.000 0.448 309 G N 1.814 110.525 108.800 -0.149 0.000 2.750 309 G HA2 -0.225 3.740 3.960 0.008 0.000 0.228 309 G HA3 -0.225 3.740 3.960 0.008 0.000 0.228 309 G C -0.818 174.017 174.900 -0.108 0.000 1.367 309 G CA -0.548 44.490 45.100 -0.103 0.000 0.871 309 G HN 0.266 nan 8.290 nan 0.000 0.560 310 D N -0.239 120.116 120.400 -0.075 0.000 2.488 310 D HA 0.363 5.008 4.640 0.008 0.000 0.238 310 D C 1.103 177.356 176.300 -0.078 0.000 1.138 310 D CA 0.020 53.977 54.000 -0.072 0.000 0.873 310 D CB 1.204 41.981 40.800 -0.038 0.000 1.183 310 D HN 0.320 nan 8.370 nan 0.000 0.458 311 L N 1.167 122.314 121.223 -0.127 0.000 2.758 311 L HA 0.288 4.633 4.340 0.008 0.000 0.234 311 L C 0.233 177.113 176.870 0.017 0.000 1.049 311 L CA 0.648 55.374 54.840 -0.190 0.000 0.908 311 L CB 0.151 41.794 42.059 -0.694 0.000 1.362 311 L HN 0.546 nan 8.230 nan 0.000 0.499 312 E N -1.368 118.843 120.200 0.019 0.000 2.381 312 E HA 0.398 4.752 4.350 0.008 0.000 0.286 312 E C -1.430 175.212 176.600 0.070 0.000 0.960 312 E CA -0.148 56.331 56.400 0.131 0.000 0.793 312 E CB 1.734 31.611 29.700 0.294 0.000 1.225 312 E HN -0.186 nan 8.360 nan 0.000 0.420 313 S N 4.858 120.596 115.700 0.063 0.000 2.496 313 S HA 0.384 4.859 4.470 0.008 0.000 0.221 313 S C -2.379 172.240 174.600 0.031 0.000 1.260 313 S CA -0.979 57.241 58.200 0.032 0.000 1.181 313 S CB 0.673 63.878 63.200 0.007 0.000 1.136 313 S HN 0.488 nan 8.310 nan 0.000 0.467 314 P HA 0.265 nan 4.420 nan 0.000 0.273 314 P C -0.300 177.002 177.300 0.004 0.000 1.250 314 P CA -0.417 62.699 63.100 0.027 0.000 0.793 314 P CB 0.417 32.139 31.700 0.036 0.000 1.011 315 E N 0.256 120.455 120.200 -0.001 0.000 2.558 315 E HA -0.121 4.233 4.350 0.008 0.000 0.255 315 E C 0.600 177.186 176.600 -0.023 0.000 0.968 315 E CA 0.611 57.005 56.400 -0.011 0.000 0.939 315 E CB -0.087 29.607 29.700 -0.009 0.000 0.921 315 E HN 0.404 nan 8.360 nan 0.000 0.477 316 D N 3.409 123.795 120.400 -0.022 0.000 2.137 316 D HA -0.077 4.568 4.640 0.008 0.000 0.202 316 D C 0.301 176.579 176.300 -0.036 0.000 0.970 316 D CA 0.455 54.441 54.000 -0.023 0.000 0.837 316 D CB 0.225 41.038 40.800 0.021 0.000 0.981 316 D HN 0.312 nan 8.370 nan 0.000 0.475 317 R N 0.861 121.347 120.500 -0.023 0.000 2.288 317 R HA 0.245 4.590 4.340 0.008 0.000 0.330 317 R C -0.378 175.898 176.300 -0.040 0.000 1.069 317 R CA -0.154 55.927 56.100 -0.032 0.000 0.941 317 R CB -0.069 30.220 30.300 -0.017 0.000 0.998 317 R HN 0.310 nan 8.270 nan 0.000 0.452 318 I N 1.397 121.932 120.570 -0.058 0.000 2.648 318 I HA 0.478 4.652 4.170 0.008 0.000 0.304 318 I C -0.566 175.525 176.117 -0.043 0.000 1.009 318 I CA -1.215 60.052 61.300 -0.054 0.000 1.114 318 I CB 1.679 39.633 38.000 -0.077 0.000 1.293 318 I HN 0.249 nan 8.210 nan 0.000 0.449 319 I N 3.064 123.619 120.570 -0.025 0.000 2.392 319 I HA 0.491 4.665 4.170 0.008 0.000 0.295 319 I C 0.076 176.197 176.117 0.006 0.000 0.985 319 I CA -0.003 61.291 61.300 -0.009 0.000 1.221 319 I CB 1.351 39.350 38.000 -0.002 0.000 1.366 319 I HN 0.722 nan 8.210 nan 0.000 0.467 320 S N 5.686 121.399 115.700 0.022 0.000 2.595 320 S HA 0.643 5.118 4.470 0.008 0.000 0.281 320 S C -0.340 174.334 174.600 0.124 0.000 1.117 320 S CA -0.585 57.669 58.200 0.090 0.000 0.873 320 S CB 2.330 65.550 63.200 0.033 0.000 1.108 320 S HN 0.350 nan 8.310 nan 0.000 0.477 321 I N 4.014 124.704 120.570 0.199 0.000 2.291 321 I HA 0.222 4.397 4.170 0.008 0.000 0.292 321 I C -1.232 174.982 176.117 0.162 0.000 1.064 321 I CA -1.957 59.411 61.300 0.113 0.000 1.269 321 I CB 1.174 39.202 38.000 0.047 0.000 1.418 321 I HN 0.493 nan 8.210 nan 0.000 0.485 322 P HA -0.294 nan 4.420 nan 0.000 0.218 322 P C 1.566 178.910 177.300 0.074 0.000 1.154 322 P CA 1.918 65.092 63.100 0.124 0.000 0.872 322 P CB 0.087 31.800 31.700 0.023 0.000 0.790 323 S N -0.219 115.444 115.700 -0.062 0.000 2.370 323 S HA -0.162 4.312 4.470 0.008 0.000 0.226 323 S C 2.047 176.558 174.600 -0.147 0.000 1.033 323 S CA 1.019 59.134 58.200 -0.142 0.000 1.011 323 S CB -0.943 62.157 63.200 -0.168 0.000 0.852 323 S HN -0.006 nan 8.310 nan 0.000 0.457 324 K N 0.911 121.181 120.400 -0.216 0.000 2.113 324 K HA -0.034 4.291 4.320 0.008 0.000 0.208 324 K C 0.887 177.047 176.600 -0.734 0.000 1.047 324 K CA 1.258 57.218 56.287 -0.543 0.000 0.928 324 K CB -0.517 31.479 32.500 -0.840 0.000 0.716 324 K HN 0.681 nan 8.250 nan 0.000 0.446 325 F N -0.516 119.454 119.950 0.035 0.000 2.698 325 F HA 0.354 4.885 4.527 0.007 0.000 0.304 325 F C 0.628 176.490 175.800 0.104 0.000 1.108 325 F CA -0.742 57.295 58.000 0.063 0.000 1.263 325 F CB -0.023 39.016 39.000 0.065 0.000 1.013 325 F HN -0.237 nan 8.300 nan 0.000 0.532 326 A N 1.482 124.416 122.820 0.190 0.000 2.351 326 A HA 0.653 4.977 4.320 0.008 0.000 0.257 326 A C 0.201 177.914 177.584 0.214 0.000 1.087 326 A CA 0.044 52.216 52.037 0.226 0.000 0.798 326 A CB 0.315 19.317 19.000 0.005 0.000 1.033 326 A HN 0.548 nan 8.150 nan 0.000 0.488 327 E N -0.594 119.791 120.200 0.308 0.000 2.417 327 E HA 0.417 4.771 4.350 0.008 0.000 0.280 327 E C -0.921 175.862 176.600 0.306 0.000 1.112 327 E CA -0.429 56.143 56.400 0.287 0.000 0.863 327 E CB 0.382 30.195 29.700 0.190 0.000 1.346 327 E HN 0.408 nan 8.360 nan 0.000 0.443 328 D N -0.371 120.147 120.400 0.197 0.000 2.800 328 D HA -0.181 4.463 4.640 0.008 0.000 0.232 328 D C -0.780 175.575 176.300 0.093 0.000 1.137 328 D CA 1.091 55.141 54.000 0.084 0.000 0.718 328 D CB -1.505 39.393 40.800 0.164 0.000 1.084 328 D HN 0.476 nan 8.370 nan 0.000 0.432 329 F N -0.628 119.437 119.950 0.192 0.000 2.578 329 F HA 0.475 5.006 4.527 0.007 0.000 0.376 329 F C 0.677 176.571 175.800 0.157 0.000 1.085 329 F CA -0.341 57.770 58.000 0.184 0.000 1.260 329 F CB 0.802 39.849 39.000 0.078 0.000 1.095 329 F HN -0.020 nan 8.300 nan 0.000 0.573 330 S N 4.290 120.121 115.700 0.217 0.000 2.541 330 S HA 0.611 5.086 4.470 0.008 0.000 0.271 330 S C -3.187 171.511 174.600 0.163 0.000 1.133 330 S CA -1.458 56.815 58.200 0.122 0.000 0.876 330 S CB 2.108 65.357 63.200 0.082 0.000 1.105 330 S HN 0.624 nan 8.310 nan 0.000 0.470 331 P HA 0.405 nan 4.420 nan 0.000 0.286 331 P C -0.849 176.511 177.300 0.100 0.000 1.269 331 P CA -0.479 62.686 63.100 0.108 0.000 0.787 331 P CB 0.827 32.574 31.700 0.078 0.000 0.920 332 L N 1.768 123.053 121.223 0.103 0.000 2.341 332 L HA 0.487 4.832 4.340 0.008 0.000 0.267 332 L C 0.695 177.626 176.870 0.102 0.000 1.022 332 L CA -1.127 53.783 54.840 0.116 0.000 0.844 332 L CB 0.476 42.617 42.059 0.138 0.000 1.436 332 L HN 0.207 nan 8.230 nan 0.000 0.483 333 D N 0.055 120.528 120.400 0.122 0.000 2.360 333 D HA 0.284 4.929 4.640 0.008 0.000 0.242 333 D C 0.799 177.154 176.300 0.093 0.000 1.184 333 D CA 1.012 55.071 54.000 0.099 0.000 0.930 333 D CB 0.528 41.387 40.800 0.099 0.000 1.161 333 D HN 0.775 nan 8.370 nan 0.000 0.447 334 G N 1.185 110.027 108.800 0.069 0.000 2.305 334 G HA2 -0.344 3.621 3.960 0.008 0.000 0.287 334 G HA3 -0.344 3.621 3.960 0.008 0.000 0.287 334 G C 0.326 175.254 174.900 0.047 0.000 1.036 334 G CA 0.692 45.825 45.100 0.056 0.000 0.887 334 G HN 0.800 nan 8.290 nan 0.000 0.505 335 D N -2.059 118.371 120.400 0.050 0.000 2.708 335 D HA -0.174 4.470 4.640 0.008 0.000 0.236 335 D C 0.636 176.965 176.300 0.050 0.000 1.146 335 D CA 1.490 55.520 54.000 0.049 0.000 0.662 335 D CB -1.139 39.688 40.800 0.045 0.000 1.059 335 D HN 0.765 nan 8.370 nan 0.000 0.428 336 L N -0.118 121.135 121.223 0.051 0.000 2.331 336 L HA 0.600 4.945 4.340 0.008 0.000 0.268 336 L C 0.524 177.434 176.870 0.067 0.000 1.015 336 L CA -1.155 53.707 54.840 0.036 0.000 0.807 336 L CB 1.339 43.382 42.059 -0.026 0.000 1.293 336 L HN -0.071 nan 8.230 nan 0.000 0.451 337 I N 0.857 121.476 120.570 0.083 0.000 2.608 337 I HA 0.641 4.815 4.170 0.008 0.000 0.295 337 I C -0.092 176.136 176.117 0.186 0.000 1.049 337 I CA -0.578 60.813 61.300 0.152 0.000 1.063 337 I CB 1.656 39.763 38.000 0.179 0.000 1.248 337 I HN 0.579 nan 8.210 nan 0.000 0.424 338 A N 5.647 128.609 122.820 0.237 0.000 2.413 338 A HA 0.994 5.319 4.320 0.008 0.000 0.307 338 A C -1.166 176.652 177.584 0.389 0.000 1.087 338 A CA -0.402 51.776 52.037 0.235 0.000 0.750 338 A CB 2.114 21.219 19.000 0.175 0.000 1.296 338 A HN 0.711 nan 8.150 nan 0.000 0.423 339 F N -0.795 119.275 119.950 0.200 0.000 2.807 339 F HA 0.722 5.253 4.527 0.007 0.000 0.316 339 F C -1.838 174.101 175.800 0.231 0.000 1.162 339 F CA -1.078 57.050 58.000 0.213 0.000 0.910 339 F CB 0.756 39.892 39.000 0.227 0.000 1.314 339 F HN 0.462 nan 8.300 nan 0.000 0.454 340 V N 1.412 121.562 119.914 0.394 0.000 2.769 340 V HA 0.825 4.949 4.120 0.008 0.000 0.312 340 V C -0.886 175.468 176.094 0.433 0.000 1.061 340 V CA -0.454 61.975 62.300 0.216 0.000 0.931 340 V CB 1.730 33.612 31.823 0.099 0.000 1.010 340 V HN 0.975 nan 8.190 nan 0.000 0.433 341 S N 3.159 119.068 115.700 0.349 0.000 2.562 341 S HA 0.529 5.004 4.470 0.008 0.000 0.274 341 S C -0.069 174.681 174.600 0.249 0.000 1.160 341 S CA -0.671 57.762 58.200 0.388 0.000 0.933 341 S CB 1.024 64.552 63.200 0.546 0.000 1.100 341 S HN 0.778 nan 8.310 nan 0.000 0.468 342 R N 2.517 123.126 120.500 0.182 0.000 3.502 342 R HA -0.235 4.109 4.340 0.008 0.000 0.266 342 R C 1.061 177.356 176.300 -0.008 0.000 1.077 342 R CA 1.314 57.426 56.100 0.020 0.000 0.718 342 R CB -1.785 28.447 30.300 -0.113 0.000 1.120 342 R HN 1.814 nan 8.270 nan 0.000 0.457 343 G N -1.380 107.418 108.800 -0.002 0.000 2.205 343 G HA2 -0.360 3.605 3.960 0.008 0.000 0.261 343 G HA3 -0.360 3.605 3.960 0.008 0.000 0.261 343 G C 0.053 174.895 174.900 -0.098 0.000 0.980 343 G CA 0.731 45.795 45.100 -0.060 0.000 0.632 343 G HN 0.516 nan 8.290 nan 0.000 0.533 344 Q N -0.057 119.701 119.800 -0.070 0.000 2.204 344 Q HA 0.773 5.118 4.340 0.008 0.000 0.254 344 Q C 0.072 175.848 176.000 -0.373 0.000 0.981 344 Q CA -0.082 55.575 55.803 -0.243 0.000 0.897 344 Q CB 1.941 30.578 28.738 -0.168 0.000 1.273 344 Q HN 0.824 nan 8.270 nan 0.000 0.464 345 A N 1.045 123.388 122.820 -0.795 0.000 2.413 345 A HA 0.862 5.187 4.320 0.008 0.000 0.307 345 A C -1.546 175.298 177.584 -1.233 0.000 1.087 345 A CA -0.468 51.140 52.037 -0.715 0.000 0.750 345 A CB 0.915 19.652 19.000 -0.439 0.000 1.296 345 A HN 0.551 nan 8.150 nan 0.000 0.423 346 F N -0.076 119.579 119.950 -0.491 0.000 2.601 346 F HA 0.641 5.173 4.527 0.007 0.000 0.309 346 F C -0.688 174.983 175.800 -0.216 0.000 1.089 346 F CA -0.605 57.162 58.000 -0.388 0.000 0.940 346 F CB 1.988 40.664 39.000 -0.539 0.000 1.273 346 F HN 0.257 nan 8.300 nan 0.000 0.450 347 I N 2.336 122.945 120.570 0.065 0.000 2.382 347 I HA 0.452 4.627 4.170 0.008 0.000 0.286 347 I C -0.675 175.460 176.117 0.029 0.000 1.002 347 I CA -0.359 60.928 61.300 -0.021 0.000 1.135 347 I CB 1.553 39.417 38.000 -0.227 0.000 1.288 347 I HN 0.677 nan 8.210 nan 0.000 0.448 348 Q N 4.830 124.676 119.800 0.076 0.000 2.553 348 Q HA 0.567 4.911 4.340 0.008 0.000 0.293 348 Q C -1.663 174.398 176.000 0.102 0.000 1.038 348 Q CA -1.109 54.764 55.803 0.117 0.000 0.777 348 Q CB 2.170 31.018 28.738 0.183 0.000 1.487 348 Q HN 0.522 nan 8.270 nan 0.000 0.426 349 D N 0.625 121.103 120.400 0.129 0.000 2.312 349 D HA 0.054 4.699 4.640 0.008 0.000 0.248 349 D C 1.411 177.771 176.300 0.101 0.000 1.086 349 D CA -0.090 53.981 54.000 0.119 0.000 0.948 349 D CB 1.692 42.605 40.800 0.188 0.000 1.162 349 D HN 0.614 nan 8.370 nan 0.000 0.446 350 V N 0.217 120.178 119.914 0.079 0.000 2.317 350 V HA -0.310 3.815 4.120 0.008 0.000 0.251 350 V C 2.375 178.485 176.094 0.027 0.000 1.065 350 V CA 2.504 64.834 62.300 0.050 0.000 1.049 350 V CB -1.501 30.349 31.823 0.046 0.000 0.651 350 V HN 0.697 nan 8.190 nan 0.000 0.450 351 S N 1.062 116.788 115.700 0.044 0.000 2.442 351 S HA 0.072 4.547 4.470 0.008 0.000 0.236 351 S C 1.858 176.453 174.600 -0.008 0.000 1.007 351 S CA 1.884 60.094 58.200 0.017 0.000 0.965 351 S CB -0.954 62.269 63.200 0.038 0.000 0.773 351 S HN 2.179 nan 8.310 nan 0.000 0.504 352 G N -0.114 108.699 108.800 0.021 0.000 2.153 352 G HA2 -0.310 3.655 3.960 0.008 0.000 0.252 352 G HA3 -0.310 3.655 3.960 0.008 0.000 0.252 352 G C 0.776 175.653 174.900 -0.039 0.000 0.994 352 G CA 1.240 46.344 45.100 0.007 0.000 0.698 352 G HN 0.739 nan 8.290 nan 0.000 0.521 353 T N -1.403 113.104 114.554 -0.079 0.000 2.894 353 T HA 0.201 4.556 4.350 0.008 0.000 0.258 353 T C 0.857 175.328 174.700 -0.382 0.000 1.043 353 T CA 1.204 63.142 62.100 -0.270 0.000 1.141 353 T CB 0.016 68.645 68.868 -0.399 0.000 0.873 353 T HN 0.383 nan 8.240 nan 0.000 0.449 354 Y N 1.850 122.162 120.300 0.021 0.000 2.504 354 Y HA 0.586 5.139 4.550 0.005 0.000 0.339 354 Y C -0.560 175.361 175.900 0.035 0.000 0.974 354 Y CA -1.019 57.097 58.100 0.026 0.000 1.232 354 Y CB 1.050 39.523 38.460 0.021 0.000 1.108 354 Y HN -0.123 nan 8.280 nan 0.000 0.509 355 V N 5.642 125.640 119.914 0.140 0.000 2.448 355 V HA 0.424 4.548 4.120 0.008 0.000 0.295 355 V C -0.247 175.944 176.094 0.161 0.000 1.025 355 V CA -0.934 61.450 62.300 0.140 0.000 0.859 355 V CB 1.789 33.668 31.823 0.094 0.000 0.988 355 V HN 0.590 nan 8.190 nan 0.000 0.431 356 L N 4.519 125.843 121.223 0.168 0.000 2.322 356 L HA 0.584 4.929 4.340 0.008 0.000 0.281 356 L C -0.053 176.890 176.870 0.123 0.000 1.014 356 L CA -0.552 54.377 54.840 0.147 0.000 0.815 356 L CB 1.930 44.072 42.059 0.139 0.000 1.247 356 L HN 0.578 nan 8.230 nan 0.000 0.421 357 K N 2.658 123.075 120.400 0.028 0.000 2.211 357 K HA 0.421 4.746 4.320 0.008 0.000 0.275 357 K C -0.773 175.588 176.600 -0.398 0.000 1.024 357 K CA -0.641 55.472 56.287 -0.290 0.000 0.887 357 K CB 1.433 33.810 32.500 -0.205 0.000 1.084 357 K HN 0.331 nan 8.250 nan 0.000 0.463 358 V N 6.875 126.418 119.914 -0.617 0.000 2.540 358 V HA 0.073 4.198 4.120 0.008 0.000 0.297 358 V C -1.733 173.956 176.094 -0.676 0.000 1.024 358 V CA -1.083 60.739 62.300 -0.798 0.000 1.105 358 V CB 0.577 31.915 31.823 -0.808 0.000 0.938 358 V HN 0.829 nan 8.190 nan 0.000 0.482 359 P HA 0.310 nan 4.420 nan 0.000 0.244 359 P C -0.439 176.630 177.300 -0.384 0.000 1.769 359 P CA 0.055 62.916 63.100 -0.398 0.000 1.102 359 P CB 0.383 31.921 31.700 -0.271 0.000 1.937 360 E N 2.857 122.828 120.200 -0.383 0.000 2.335 360 E HA 0.323 4.678 4.350 0.008 0.000 0.280 360 E C -2.303 174.180 176.600 -0.196 0.000 0.918 360 E CA -1.763 54.440 56.400 -0.330 0.000 0.765 360 E CB 2.291 31.697 29.700 -0.490 0.000 1.218 360 E HN 0.270 nan 8.360 nan 0.000 0.425 361 P HA 0.047 nan 4.420 nan 0.000 0.273 361 P C 0.421 177.777 177.300 0.093 0.000 1.252 361 P CA -0.353 62.756 63.100 0.014 0.000 0.809 361 P CB 0.838 32.572 31.700 0.057 0.000 1.017 362 L N 0.558 121.799 121.223 0.030 0.000 2.529 362 L HA -0.055 4.289 4.340 0.008 0.000 0.287 362 L C 0.982 177.783 176.870 -0.115 0.000 1.241 362 L CA 0.461 55.280 54.840 -0.036 0.000 0.857 362 L CB -0.181 41.851 42.059 -0.045 0.000 1.113 362 L HN 0.485 nan 8.230 nan 0.000 0.504 363 R N 3.404 123.815 120.500 -0.149 0.000 2.388 363 R HA -0.103 4.242 4.340 0.008 0.000 0.344 363 R C -1.315 174.838 176.300 -0.244 0.000 1.043 363 R CA 0.470 56.447 56.100 -0.205 0.000 0.776 363 R CB -1.473 28.698 30.300 -0.215 0.000 2.324 363 R HN 0.535 nan 8.270 nan 0.000 0.479 364 I N 4.431 124.910 120.570 -0.153 0.000 2.412 364 I HA 0.189 4.364 4.170 0.008 0.000 0.279 364 I C 1.804 177.846 176.117 -0.126 0.000 1.063 364 I CA -0.542 60.704 61.300 -0.091 0.000 1.193 364 I CB 0.907 38.812 38.000 -0.157 0.000 1.370 364 I HN 0.283 nan 8.210 nan 0.000 0.479 365 R N 3.992 124.391 120.500 -0.168 0.000 2.073 365 R HA -0.054 4.291 4.340 0.008 0.000 0.234 365 R C -0.336 175.562 176.300 -0.670 0.000 1.134 365 R CA 1.509 57.329 56.100 -0.465 0.000 0.952 365 R CB -0.053 29.927 30.300 -0.534 0.000 0.850 365 R HN 0.405 nan 8.270 nan 0.000 0.433 366 Y N -1.485 118.862 120.300 0.079 0.000 2.576 366 Y HA 0.500 5.054 4.550 0.007 0.000 0.346 366 Y C -0.559 175.435 175.900 0.156 0.000 1.018 366 Y CA -1.259 56.898 58.100 0.096 0.000 1.050 366 Y CB 2.186 40.693 38.460 0.079 0.000 1.280 366 Y HN -0.362 nan 8.280 nan 0.000 0.474 367 V N 2.303 122.404 119.914 0.312 0.000 2.638 367 V HA 0.689 4.814 4.120 0.008 0.000 0.306 367 V C -0.895 175.332 176.094 0.222 0.000 1.052 367 V CA -0.805 61.655 62.300 0.267 0.000 0.885 367 V CB 1.877 33.817 31.823 0.194 0.000 0.999 367 V HN 0.615 nan 8.190 nan 0.000 0.424 368 R N 2.192 122.817 120.500 0.208 0.000 2.621 368 R HA 0.580 4.925 4.340 0.008 0.000 0.284 368 R C -0.603 175.783 176.300 0.144 0.000 0.998 368 R CA -1.018 55.173 56.100 0.150 0.000 0.895 368 R CB 1.468 31.839 30.300 0.118 0.000 1.195 368 R HN 0.841 nan 8.270 nan 0.000 0.450 369 R N 0.973 121.547 120.500 0.124 0.000 2.502 369 R HA 0.231 4.576 4.340 0.008 0.000 0.292 369 R C 0.310 176.655 176.300 0.075 0.000 0.998 369 R CA 1.268 57.438 56.100 0.117 0.000 1.056 369 R CB 0.111 30.471 30.300 0.101 0.000 0.939 369 R HN 0.737 nan 8.270 nan 0.000 0.411 370 G N 1.544 110.382 108.800 0.063 0.000 3.342 370 G HA2 0.457 4.422 3.960 0.008 0.000 0.252 370 G HA3 0.457 4.422 3.960 0.008 0.000 0.252 370 G C 0.075 174.970 174.900 -0.007 0.000 1.011 370 G CA 0.161 45.273 45.100 0.020 0.000 0.869 370 G HN 0.985 nan 8.290 nan 0.000 0.514 371 G N -0.291 108.506 108.800 -0.005 0.000 2.320 371 G HA2 0.331 4.296 3.960 0.008 0.000 0.296 371 G HA3 0.331 4.296 3.960 0.008 0.000 0.296 371 G C -0.396 174.486 174.900 -0.031 0.000 1.306 371 G CA -0.052 45.029 45.100 -0.031 0.000 0.836 371 G HN -0.171 nan 8.290 nan 0.000 0.517 372 D N -0.189 120.185 120.400 -0.043 0.000 2.116 372 D HA -0.101 4.544 4.640 0.008 0.000 0.193 372 D C 2.355 178.616 176.300 -0.064 0.000 0.998 372 D CA 2.616 56.601 54.000 -0.026 0.000 0.836 372 D CB -0.032 40.747 40.800 -0.034 0.000 0.951 372 D HN 0.656 nan 8.370 nan 0.000 0.449 373 T N -3.670 110.731 114.554 -0.255 0.000 3.111 373 T HA 0.258 4.613 4.350 0.008 0.000 0.284 373 T C 0.489 174.551 174.700 -1.064 0.000 0.983 373 T CA -0.544 61.121 62.100 -0.724 0.000 0.900 373 T CB 0.838 69.383 68.868 -0.539 0.000 1.132 373 T HN -0.145 nan 8.240 nan 0.000 0.531 374 K N 0.868 120.977 120.400 -0.484 0.000 2.156 374 K HA 0.754 5.078 4.320 0.008 0.000 0.254 374 K C -1.505 175.044 176.600 -0.085 0.000 0.950 374 K CA -0.881 55.215 56.287 -0.319 0.000 0.849 374 K CB 2.675 35.070 32.500 -0.175 0.000 1.100 374 K HN 0.076 nan 8.250 nan 0.000 0.434 375 V N 1.261 121.204 119.914 0.049 0.000 2.760 375 V HA 0.636 4.761 4.120 0.008 0.000 0.309 375 V C -1.368 174.858 176.094 0.220 0.000 1.077 375 V CA -0.542 61.879 62.300 0.201 0.000 0.910 375 V CB 1.834 33.874 31.823 0.361 0.000 1.008 375 V HN 0.935 nan 8.190 nan 0.000 0.424 376 A N 5.873 128.790 122.820 0.163 0.000 2.295 376 A HA 0.995 5.319 4.320 0.008 0.000 0.318 376 A C -0.857 176.844 177.584 0.195 0.000 1.134 376 A CA -0.339 51.745 52.037 0.079 0.000 0.827 376 A CB 0.824 19.845 19.000 0.036 0.000 1.136 376 A HN 1.570 nan 8.150 nan 0.000 0.493 377 F N -0.273 119.752 119.950 0.125 0.000 2.645 377 F HA 0.735 5.267 4.527 0.007 0.000 0.310 377 F C -1.238 174.662 175.800 0.167 0.000 1.102 377 F CA -1.580 56.504 58.000 0.139 0.000 0.952 377 F CB 1.165 40.224 39.000 0.097 0.000 1.326 377 F HN 0.254 nan 8.300 nan 0.000 0.456 378 I N 3.011 123.850 120.570 0.448 0.000 2.354 378 I HA 0.201 4.376 4.170 0.008 0.000 0.286 378 I C -0.540 175.829 176.117 0.421 0.000 1.007 378 I CA -0.225 61.292 61.300 0.362 0.000 1.167 378 I CB 0.788 39.005 38.000 0.361 0.000 1.320 378 I HN 0.782 nan 8.210 nan 0.000 0.458 379 H N 5.701 125.010 119.070 0.398 0.000 2.517 379 H HA 0.516 5.077 4.556 0.007 0.000 0.317 379 H C -0.360 175.137 175.328 0.283 0.000 1.080 379 H CA -0.285 55.958 56.048 0.325 0.000 1.301 379 H CB 1.667 31.662 29.762 0.388 0.000 1.425 379 H HN 0.739 nan 8.280 nan 0.000 0.471 380 G N 3.092 111.715 108.800 -0.295 0.000 2.371 380 G HA2 0.446 4.410 3.960 0.008 0.000 0.326 380 G HA3 0.446 4.410 3.960 0.008 0.000 0.326 380 G C -0.299 174.487 174.900 -0.191 0.000 1.127 380 G CA -0.246 44.776 45.100 -0.129 0.000 0.885 380 G HN 0.734 nan 8.290 nan 0.000 0.477 381 T N -1.338 113.277 114.554 0.102 0.000 2.716 381 T HA 0.383 4.738 4.350 0.008 0.000 0.286 381 T C 1.230 176.024 174.700 0.157 0.000 1.052 381 T CA -0.735 61.448 62.100 0.139 0.000 1.024 381 T CB 1.800 70.817 68.868 0.247 0.000 1.349 381 T HN 0.412 nan 8.240 nan 0.000 0.525 382 R N 0.016 120.607 120.500 0.151 0.000 2.120 382 R HA -0.063 4.282 4.340 0.008 0.000 0.234 382 R C 1.644 178.047 176.300 0.171 0.000 1.123 382 R CA 1.403 57.594 56.100 0.153 0.000 0.975 382 R CB -0.127 30.246 30.300 0.122 0.000 0.866 382 R HN 0.633 nan 8.270 nan 0.000 0.446 383 E N -0.581 119.743 120.200 0.206 0.000 2.158 383 E HA 0.100 4.455 4.350 0.008 0.000 0.191 383 E C 0.935 177.644 176.600 0.182 0.000 0.982 383 E CA 1.065 57.595 56.400 0.218 0.000 0.823 383 E CB 0.434 30.310 29.700 0.293 0.000 0.766 383 E HN 0.518 nan 8.360 nan 0.000 0.468 384 G N 0.148 109.075 108.800 0.211 0.000 2.367 384 G HA2 0.089 4.054 3.960 0.008 0.000 0.272 384 G HA3 0.089 4.054 3.960 0.008 0.000 0.272 384 G C -1.825 173.012 174.900 -0.106 0.000 1.271 384 G CA -0.757 44.324 45.100 -0.032 0.000 0.893 384 G HN -0.084 nan 8.290 nan 0.000 0.485 385 D N 0.086 120.248 120.400 -0.397 0.000 2.248 385 D HA 0.748 5.392 4.640 0.008 0.000 0.246 385 D C -0.979 174.950 176.300 -0.618 0.000 1.027 385 D CA 0.198 54.046 54.000 -0.253 0.000 0.853 385 D CB 1.642 42.392 40.800 -0.084 0.000 1.243 385 D HN 0.180 nan 8.370 nan 0.000 0.462 386 F N 0.493 120.531 119.950 0.148 0.000 2.576 386 F HA 0.315 4.846 4.527 0.007 0.000 0.313 386 F C -0.052 175.828 175.800 0.134 0.000 1.078 386 F CA -1.143 56.948 58.000 0.151 0.000 0.921 386 F CB 1.501 40.604 39.000 0.173 0.000 1.232 386 F HN 0.008 nan 8.300 nan 0.000 0.459 387 L N 2.183 123.566 121.223 0.267 0.000 2.326 387 L HA 0.803 5.148 4.340 0.008 0.000 0.278 387 L C -0.208 176.600 176.870 -0.103 0.000 1.092 387 L CA 0.294 55.201 54.840 0.113 0.000 0.810 387 L CB 0.720 42.892 42.059 0.188 0.000 1.153 387 L HN 0.799 nan 8.230 nan 0.000 0.439 388 G N 5.268 113.660 108.800 -0.680 0.000 2.619 388 G HA2 0.671 4.636 3.960 0.008 0.000 0.296 388 G HA3 0.671 4.636 3.960 0.008 0.000 0.296 388 G C -1.442 172.620 174.900 -1.397 0.000 1.334 388 G CA -0.538 43.763 45.100 -1.331 0.000 0.934 388 G HN 0.567 nan 8.290 nan 0.000 0.476 389 I N 0.301 120.432 120.570 -0.731 0.000 2.689 389 I HA 0.528 4.702 4.170 0.008 0.000 0.299 389 I C -1.356 174.881 176.117 0.200 0.000 1.059 389 I CA -1.016 60.156 61.300 -0.214 0.000 1.055 389 I CB 2.579 40.467 38.000 -0.188 0.000 1.243 389 I HN 0.550 nan 8.210 nan 0.000 0.425 390 Y N 4.293 124.683 120.300 0.150 0.000 2.534 390 Y HA 0.480 5.035 4.550 0.007 0.000 0.345 390 Y C -1.798 174.119 175.900 0.029 0.000 1.031 390 Y CA -1.173 57.015 58.100 0.147 0.000 1.022 390 Y CB 1.883 40.486 38.460 0.239 0.000 1.292 390 Y HN 0.485 nan 8.280 nan 0.000 0.459 391 D N 4.266 124.209 120.400 -0.763 0.000 2.462 391 D HA 0.139 4.784 4.640 0.008 0.000 0.245 391 D C -0.290 175.328 176.300 -1.137 0.000 1.122 391 D CA -0.430 53.078 54.000 -0.821 0.000 0.864 391 D CB 0.472 41.021 40.800 -0.419 0.000 1.098 391 D HN 0.615 nan 8.370 nan 0.000 0.541 392 Y N 2.598 122.374 120.300 -0.875 0.000 2.553 392 Y HA 0.217 4.771 4.550 0.007 0.000 0.303 392 Y C 1.843 177.624 175.900 -0.198 0.000 1.194 392 Y CA -0.069 57.730 58.100 -0.501 0.000 1.305 392 Y CB -0.221 38.151 38.460 -0.146 0.000 1.045 392 Y HN 0.266 nan 8.280 nan 0.000 0.514 393 R N 0.707 121.082 120.500 -0.209 0.000 2.119 393 R HA -0.011 4.333 4.340 0.008 0.000 0.202 393 R C 2.143 178.400 176.300 -0.072 0.000 1.114 393 R CA 1.281 57.334 56.100 -0.078 0.000 1.089 393 R CB -0.313 29.913 30.300 -0.123 0.000 1.000 393 R HN 0.395 nan 8.270 nan 0.000 0.487 394 T N -3.243 111.237 114.554 -0.124 0.000 2.937 394 T HA 0.210 4.565 4.350 0.008 0.000 0.260 394 T C 1.495 176.173 174.700 -0.037 0.000 1.051 394 T CA 1.168 63.225 62.100 -0.072 0.000 1.141 394 T CB 0.389 69.208 68.868 -0.083 0.000 0.879 394 T HN 0.484 nan 8.240 nan 0.000 0.459 395 G N 1.979 110.744 108.800 -0.059 0.000 2.278 395 G HA2 -0.212 3.753 3.960 0.008 0.000 0.210 395 G HA3 -0.212 3.753 3.960 0.008 0.000 0.210 395 G C 0.133 175.100 174.900 0.112 0.000 1.000 395 G CA -0.012 45.127 45.100 0.064 0.000 0.635 395 G HN 1.001 nan 8.290 nan 0.000 0.495 396 K N 0.117 120.532 120.400 0.026 0.000 2.527 396 K HA 0.535 4.859 4.320 0.008 0.000 0.278 396 K C -0.002 176.675 176.600 0.129 0.000 0.981 396 K CA 0.602 56.916 56.287 0.044 0.000 1.009 396 K CB 1.099 33.594 32.500 -0.008 0.000 0.895 396 K HN 1.334 nan 8.250 nan 0.000 0.493 397 A N 3.083 125.983 122.820 0.132 0.000 3.005 397 A HA 0.131 4.456 4.320 0.008 0.000 0.308 397 A C -0.641 176.980 177.584 0.062 0.000 1.173 397 A CA -0.750 51.405 52.037 0.197 0.000 0.796 397 A CB 0.306 19.470 19.000 0.273 0.000 1.325 397 A HN 0.899 nan 8.150 nan 0.000 0.467 398 E N 1.187 121.364 120.200 -0.038 0.000 2.392 398 E HA 0.391 4.746 4.350 0.008 0.000 0.256 398 E C -0.303 176.156 176.600 -0.236 0.000 1.145 398 E CA -0.079 56.230 56.400 -0.150 0.000 0.929 398 E CB 0.596 30.154 29.700 -0.237 0.000 0.998 398 E HN 0.406 nan 8.360 nan 0.000 0.442 399 K N 3.389 123.632 120.400 -0.261 0.000 2.716 399 K HA 0.202 4.526 4.320 0.008 0.000 0.249 399 K C -1.234 175.273 176.600 -0.155 0.000 1.004 399 K CA -0.364 55.779 56.287 -0.239 0.000 0.968 399 K CB 0.409 32.849 32.500 -0.100 0.000 1.214 399 K HN 0.388 nan 8.250 nan 0.000 0.476 400 F N 1.872 121.816 119.950 -0.010 0.000 2.586 400 F HA -0.060 4.472 4.527 0.008 0.000 0.335 400 F C 1.699 177.532 175.800 0.055 0.000 1.210 400 F CA 0.032 58.048 58.000 0.027 0.000 1.359 400 F CB 0.647 39.675 39.000 0.047 0.000 1.142 400 F HN 0.556 nan 8.300 nan 0.000 0.606 401 E N -0.276 120.107 120.200 0.306 0.000 2.413 401 E HA 0.010 4.364 4.350 0.008 0.000 0.203 401 E C -0.036 176.796 176.600 0.387 0.000 0.957 401 E CA 0.178 56.696 56.400 0.196 0.000 0.950 401 E CB -0.187 29.570 29.700 0.096 0.000 0.957 401 E HN 0.506 nan 8.360 nan 0.000 0.497 402 E N 2.451 122.831 120.200 0.299 0.000 2.491 402 E HA -0.025 4.330 4.350 0.008 0.000 0.250 402 E C -0.082 176.655 176.600 0.228 0.000 1.061 402 E CA 0.115 56.636 56.400 0.201 0.000 0.942 402 E CB -0.205 29.526 29.700 0.052 0.000 0.957 402 E HN 0.184 nan 8.360 nan 0.000 0.480 403 N N 3.341 122.121 118.700 0.133 0.000 2.475 403 N HA 0.014 4.758 4.740 0.008 0.000 0.267 403 N C 0.676 176.054 175.510 -0.220 0.000 1.169 403 N CA -0.249 52.658 53.050 -0.240 0.000 0.947 403 N CB 0.482 38.909 38.487 -0.100 0.000 1.061 403 N HN 0.356 nan 8.380 nan 0.000 0.466 404 L N 2.859 123.892 121.223 -0.317 0.000 2.640 404 L HA 0.380 4.724 4.340 0.008 0.000 0.230 404 L C 1.339 178.133 176.870 -0.127 0.000 1.123 404 L CA 0.020 54.765 54.840 -0.158 0.000 0.900 404 L CB -0.662 41.337 42.059 -0.101 0.000 1.146 404 L HN 0.886 nan 8.230 nan 0.000 0.484 405 G N 1.042 109.736 108.800 -0.176 0.000 2.484 405 G HA2 -0.231 3.734 3.960 0.008 0.000 0.225 405 G HA3 -0.231 3.734 3.960 0.008 0.000 0.225 405 G C -0.507 174.359 174.900 -0.057 0.000 1.250 405 G CA -0.620 44.422 45.100 -0.096 0.000 0.926 405 G HN 0.202 nan 8.290 nan 0.000 0.581 406 N N 0.912 119.639 118.700 0.046 0.000 2.527 406 N HA 0.424 5.168 4.740 0.008 0.000 0.236 406 N C 0.153 175.816 175.510 0.255 0.000 0.999 406 N CA -0.153 52.978 53.050 0.136 0.000 0.935 406 N CB 1.666 40.312 38.487 0.265 0.000 1.132 406 N HN 0.542 nan 8.380 nan 0.000 0.511 407 V N 2.454 122.438 119.914 0.116 0.000 2.637 407 V HA 0.124 4.249 4.120 0.008 0.000 0.296 407 V C 0.611 176.788 176.094 0.138 0.000 1.046 407 V CA 0.400 62.803 62.300 0.171 0.000 1.066 407 V CB 0.177 32.079 31.823 0.132 0.000 0.968 407 V HN 0.545 nan 8.190 nan 0.000 0.483 408 F N 1.837 121.865 119.950 0.131 0.000 2.798 408 F HA 0.646 5.178 4.527 0.008 0.000 0.328 408 F C 0.660 176.397 175.800 -0.105 0.000 1.098 408 F CA 0.408 58.490 58.000 0.137 0.000 1.172 408 F CB 0.658 39.736 39.000 0.131 0.000 1.072 408 F HN 0.560 nan 8.300 nan 0.000 0.555 409 A N 1.156 123.947 122.820 -0.048 0.000 2.566 409 A HA 0.755 5.080 4.320 0.008 0.000 0.297 409 A C -1.440 176.128 177.584 -0.026 0.000 1.059 409 A CA -0.446 51.500 52.037 -0.153 0.000 0.691 409 A CB 1.845 20.891 19.000 0.077 0.000 1.282 409 A HN 0.000 nan 8.150 nan 0.000 0.401 410 M N 2.114 121.656 119.600 -0.097 0.000 2.284 410 M HA 0.568 5.052 4.480 0.008 0.000 0.281 410 M C -0.694 175.685 176.300 0.131 0.000 1.083 410 M CA -0.008 55.341 55.300 0.082 0.000 0.965 410 M CB 1.712 34.293 32.600 -0.031 0.000 1.717 410 M HN 1.333 nan 8.290 nan 0.000 0.479 411 G N 2.653 111.621 108.800 0.281 0.000 2.642 411 G HA2 0.774 4.738 3.960 0.008 0.000 0.293 411 G HA3 0.774 4.738 3.960 0.008 0.000 0.293 411 G C -1.955 173.022 174.900 0.128 0.000 1.341 411 G CA -0.476 44.754 45.100 0.217 0.000 0.916 411 G HN 0.536 nan 8.290 nan 0.000 0.474 412 V N 1.415 121.358 119.914 0.048 0.000 2.735 412 V HA 0.385 4.509 4.120 0.008 0.000 0.310 412 V C -0.511 175.492 176.094 -0.152 0.000 1.061 412 V CA -0.942 61.318 62.300 -0.067 0.000 0.913 412 V CB 1.891 33.694 31.823 -0.035 0.000 1.005 412 V HN 0.975 nan 8.190 nan 0.000 0.428 413 D N 3.537 123.689 120.400 -0.414 0.000 2.361 413 D HA 0.019 4.663 4.640 0.008 0.000 0.239 413 D C 0.891 177.080 176.300 -0.186 0.000 1.200 413 D CA -0.441 53.316 54.000 -0.405 0.000 0.915 413 D CB 1.201 41.496 40.800 -0.842 0.000 1.170 413 D HN 0.490 nan 8.370 nan 0.000 0.444 414 R N 0.431 120.875 120.500 -0.093 0.000 2.189 414 R HA -0.097 4.248 4.340 0.008 0.000 0.223 414 R C 1.574 177.852 176.300 -0.037 0.000 1.092 414 R CA 0.755 56.834 56.100 -0.035 0.000 0.989 414 R CB -0.169 30.135 30.300 0.007 0.000 0.876 414 R HN 0.610 nan 8.270 nan 0.000 0.457 415 N N -0.638 118.028 118.700 -0.058 0.000 2.336 415 N HA -0.021 4.724 4.740 0.008 0.000 0.189 415 N C 0.173 175.660 175.510 -0.038 0.000 1.113 415 N CA 0.505 53.538 53.050 -0.029 0.000 0.858 415 N CB 0.399 38.886 38.487 -0.001 0.000 0.970 415 N HN 0.325 nan 8.380 nan 0.000 0.471 416 G N 1.692 110.445 108.800 -0.078 0.000 2.225 416 G HA2 -0.301 3.663 3.960 0.008 0.000 0.267 416 G HA3 -0.301 3.663 3.960 0.008 0.000 0.267 416 G C 0.731 175.614 174.900 -0.028 0.000 1.024 416 G CA 0.607 45.670 45.100 -0.061 0.000 0.784 416 G HN 0.436 nan 8.290 nan 0.000 0.507 417 K N -1.410 118.977 120.400 -0.022 0.000 2.287 417 K HA 0.358 4.682 4.320 0.008 0.000 0.199 417 K C 0.915 177.622 176.600 0.178 0.000 1.061 417 K CA 1.061 57.403 56.287 0.093 0.000 0.976 417 K CB 0.407 33.005 32.500 0.164 0.000 0.898 417 K HN 0.664 nan 8.250 nan 0.000 0.492 418 F N -0.857 119.112 119.950 0.032 0.000 2.675 418 F HA 0.786 5.318 4.527 0.008 0.000 0.324 418 F C -1.389 174.436 175.800 0.043 0.000 1.106 418 F CA -1.630 56.388 58.000 0.029 0.000 0.970 418 F CB 1.071 40.079 39.000 0.015 0.000 1.385 418 F HN -0.245 nan 8.300 nan 0.000 0.489 419 A N 0.771 123.727 122.820 0.226 0.000 2.498 419 A HA 0.782 5.106 4.320 0.008 0.000 0.298 419 A C -1.912 175.795 177.584 0.205 0.000 1.075 419 A CA -0.877 51.223 52.037 0.105 0.000 0.714 419 A CB 1.687 20.739 19.000 0.086 0.000 1.299 419 A HN 0.809 nan 8.150 nan 0.000 0.407 420 V N 1.363 121.348 119.914 0.117 0.000 2.459 420 V HA 0.606 4.731 4.120 0.008 0.000 0.295 420 V C -0.487 175.530 176.094 -0.129 0.000 1.029 420 V CA -0.345 61.905 62.300 -0.084 0.000 0.874 420 V CB 1.472 33.101 31.823 -0.324 0.000 0.985 420 V HN 0.714 nan 8.190 nan 0.000 0.438 421 V N 3.205 123.009 119.914 -0.185 0.000 2.789 421 V HA 0.897 5.021 4.120 0.008 0.000 0.311 421 V C -0.020 176.025 176.094 -0.081 0.000 1.073 421 V CA -0.664 61.604 62.300 -0.053 0.000 0.921 421 V CB 1.979 33.803 31.823 0.001 0.000 1.009 421 V HN 0.987 nan 8.190 nan 0.000 0.426 422 A N 3.827 126.694 122.820 0.078 0.000 2.355 422 A HA 0.883 5.207 4.320 0.008 0.000 0.317 422 A C -0.435 177.249 177.584 0.167 0.000 1.094 422 A CA -0.707 51.398 52.037 0.114 0.000 0.764 422 A CB 1.045 20.191 19.000 0.243 0.000 1.230 422 A HN 1.045 nan 8.150 nan 0.000 0.448 423 N N 0.263 119.051 118.700 0.146 0.000 2.761 423 N HA 0.380 5.124 4.740 0.008 0.000 0.283 423 N C -0.536 175.072 175.510 0.164 0.000 1.377 423 N CA -0.506 52.658 53.050 0.190 0.000 0.791 423 N CB 1.150 39.693 38.487 0.092 0.000 1.540 423 N HN 0.449 nan 8.380 nan 0.000 0.539 424 D N -0.312 120.166 120.400 0.129 0.000 2.378 424 D HA -0.081 4.564 4.640 0.008 0.000 0.227 424 D C 0.827 177.008 176.300 -0.197 0.000 1.012 424 D CA 0.438 54.433 54.000 -0.008 0.000 0.905 424 D CB -0.163 40.624 40.800 -0.022 0.000 0.895 424 D HN 0.459 nan 8.370 nan 0.000 0.532 425 R N -0.635 119.779 120.500 -0.144 0.000 2.317 425 R HA 0.234 4.578 4.340 0.008 0.000 0.208 425 R C 0.173 176.350 176.300 -0.205 0.000 0.914 425 R CA -0.190 55.737 56.100 -0.288 0.000 1.060 425 R CB -0.253 29.959 30.300 -0.147 0.000 1.015 425 R HN 0.113 nan 8.270 nan 0.000 0.498 426 F N 0.148 120.059 119.950 -0.064 0.000 2.965 426 F HA -0.281 4.250 4.527 0.007 0.000 0.287 426 F C -0.257 175.510 175.800 -0.056 0.000 0.790 426 F CA 0.012 57.968 58.000 -0.073 0.000 1.279 426 F CB -1.563 37.382 39.000 -0.092 0.000 1.409 426 F HN 0.205 nan 8.300 nan 0.000 0.446 427 E N 1.196 121.460 120.200 0.107 0.000 2.222 427 E HA 0.732 5.086 4.350 0.008 0.000 0.272 427 E C -0.317 176.252 176.600 -0.053 0.000 0.982 427 E CA -0.953 55.456 56.400 0.016 0.000 0.842 427 E CB 3.071 32.757 29.700 -0.025 0.000 1.144 427 E HN 0.320 nan 8.360 nan 0.000 0.397 428 I N 3.244 123.722 120.570 -0.153 0.000 2.466 428 I HA 0.405 4.580 4.170 0.008 0.000 0.289 428 I C -1.010 174.920 176.117 -0.311 0.000 1.026 428 I CA -0.523 60.598 61.300 -0.299 0.000 1.078 428 I CB 0.806 38.489 38.000 -0.528 0.000 1.249 428 I HN 0.627 nan 8.210 nan 0.000 0.429 429 M N 5.268 124.697 119.600 -0.286 0.000 2.664 429 M HA 0.595 5.079 4.480 0.008 0.000 0.279 429 M C -1.550 174.635 176.300 -0.191 0.000 1.275 429 M CA -0.509 54.650 55.300 -0.235 0.000 0.829 429 M CB 2.226 34.733 32.600 -0.155 0.000 1.727 429 M HN 0.489 nan 8.290 nan 0.000 0.459 430 T N 0.053 114.518 114.554 -0.147 0.000 2.791 430 T HA 0.667 5.022 4.350 0.008 0.000 0.288 430 T C -0.641 174.048 174.700 -0.017 0.000 0.999 430 T CA -0.652 61.421 62.100 -0.046 0.000 0.952 430 T CB 1.102 69.886 68.868 -0.141 0.000 0.938 430 T HN 0.534 nan 8.240 nan 0.000 0.444 431 V N 3.584 123.528 119.914 0.050 0.000 2.370 431 V HA 0.292 4.417 4.120 0.008 0.000 0.279 431 V C 0.572 176.703 176.094 0.061 0.000 1.029 431 V CA -0.909 61.402 62.300 0.018 0.000 0.870 431 V CB 1.218 33.059 31.823 0.031 0.000 0.984 431 V HN 0.968 nan 8.190 nan 0.000 0.451 432 D N 3.907 124.297 120.400 -0.018 0.000 2.434 432 D HA 0.055 4.699 4.640 0.008 0.000 0.252 432 D C 0.986 177.303 176.300 0.028 0.000 1.185 432 D CA 0.130 54.136 54.000 0.009 0.000 0.886 432 D CB 1.210 41.969 40.800 -0.069 0.000 1.148 432 D HN 0.504 nan 8.370 nan 0.000 0.483 433 L N 3.145 124.453 121.223 0.142 0.000 2.551 433 L HA -0.068 4.276 4.340 0.008 0.000 0.228 433 L C 1.998 179.045 176.870 0.295 0.000 1.153 433 L CA 0.559 55.540 54.840 0.235 0.000 0.851 433 L CB -0.029 42.120 42.059 0.151 0.000 0.959 433 L HN 0.484 nan 8.230 nan 0.000 0.451 434 E N -0.453 119.850 120.200 0.170 0.000 2.083 434 E HA -0.116 4.239 4.350 0.008 0.000 0.193 434 E C 2.192 178.875 176.600 0.138 0.000 0.950 434 E CA 1.164 57.664 56.400 0.167 0.000 0.849 434 E CB 0.229 29.979 29.700 0.083 0.000 0.827 434 E HN 0.371 nan 8.360 nan 0.000 0.465 435 T N -2.796 111.724 114.554 -0.055 0.000 2.809 435 T HA 0.100 4.455 4.350 0.008 0.000 0.260 435 T C 1.616 175.944 174.700 -0.621 0.000 1.039 435 T CA 1.383 63.377 62.100 -0.176 0.000 1.141 435 T CB 0.173 68.958 68.868 -0.139 0.000 0.869 435 T HN 0.365 nan 8.240 nan 0.000 0.437 436 G N 1.033 109.268 108.800 -0.942 0.000 2.231 436 G HA2 -0.190 3.775 3.960 0.008 0.000 0.206 436 G HA3 -0.190 3.775 3.960 0.008 0.000 0.206 436 G C 0.036 174.572 174.900 -0.606 0.000 0.996 436 G CA 0.120 44.261 45.100 -1.598 0.000 0.645 436 G HN 0.827 nan 8.290 nan 0.000 0.498 437 K N 2.495 122.679 120.400 -0.359 0.000 2.412 437 K HA 0.335 4.659 4.320 0.008 0.000 0.284 437 K C -1.912 174.601 176.600 -0.145 0.000 1.046 437 K CA -0.971 55.200 56.287 -0.194 0.000 0.999 437 K CB 0.912 33.329 32.500 -0.137 0.000 0.941 437 K HN 0.218 nan 8.250 nan 0.000 0.474 438 P HA 0.191 nan 4.420 nan 0.000 0.278 438 P C -1.157 176.088 177.300 -0.090 0.000 1.258 438 P CA -0.474 62.574 63.100 -0.088 0.000 0.811 438 P CB 1.206 32.862 31.700 -0.072 0.000 1.063 439 T N 0.123 114.615 114.554 -0.103 0.000 3.348 439 T HA 0.184 4.538 4.350 0.008 0.000 0.328 439 T C -0.288 174.319 174.700 -0.156 0.000 0.913 439 T CA -0.401 61.629 62.100 -0.116 0.000 1.043 439 T CB 0.462 69.260 68.868 -0.115 0.000 1.021 439 T HN 0.079 nan 8.240 nan 0.000 0.461 440 V N 4.914 124.743 119.914 -0.141 0.000 2.585 440 V HA 0.171 4.295 4.120 0.008 0.000 0.296 440 V C 1.319 177.277 176.094 -0.226 0.000 1.035 440 V CA 0.357 62.559 62.300 -0.164 0.000 1.084 440 V CB 0.309 32.065 31.823 -0.112 0.000 0.953 440 V HN 0.834 nan 8.190 nan 0.000 0.483 441 I N 2.380 122.761 120.570 -0.314 0.000 2.512 441 I HA 0.222 4.396 4.170 0.008 0.000 0.247 441 I C 1.000 176.964 176.117 -0.254 0.000 1.094 441 I CA 0.752 61.783 61.300 -0.448 0.000 1.427 441 I CB 0.319 37.913 38.000 -0.678 0.000 1.149 441 I HN 0.693 nan 8.210 nan 0.000 0.438 442 E N 0.332 120.425 120.200 -0.178 0.000 2.412 442 E HA 0.428 4.783 4.350 0.008 0.000 0.279 442 E C -1.089 175.547 176.600 0.060 0.000 0.984 442 E CA -0.749 55.634 56.400 -0.028 0.000 0.788 442 E CB 2.498 32.224 29.700 0.043 0.000 1.277 442 E HN -0.040 nan 8.360 nan 0.000 0.455 443 R N 1.766 122.367 120.500 0.169 0.000 2.513 443 R HA 0.391 4.736 4.340 0.008 0.000 0.301 443 R C -1.238 175.256 176.300 0.324 0.000 0.968 443 R CA -0.408 55.809 56.100 0.196 0.000 0.872 443 R CB 2.001 32.362 30.300 0.103 0.000 1.177 443 R HN 0.438 nan 8.270 nan 0.000 0.444 444 S N 1.799 117.622 115.700 0.206 0.000 2.632 444 S HA 0.268 4.743 4.470 0.008 0.000 0.271 444 S C 0.723 175.388 174.600 0.108 0.000 1.260 444 S CA -0.708 57.435 58.200 -0.096 0.000 1.010 444 S CB 0.793 63.671 63.200 -0.537 0.000 0.965 444 S HN 0.776 nan 8.310 nan 0.000 0.534 445 R N 1.381 121.894 120.500 0.022 0.000 2.472 445 R HA 0.368 4.713 4.340 0.008 0.000 0.279 445 R C 0.047 176.421 176.300 0.123 0.000 0.953 445 R CA -0.301 55.907 56.100 0.180 0.000 1.088 445 R CB 0.118 30.474 30.300 0.093 0.000 1.197 445 R HN 0.447 nan 8.270 nan 0.000 0.536 446 E N 1.076 121.141 120.200 -0.225 0.000 2.288 446 E HA 0.321 4.676 4.350 0.008 0.000 0.200 446 E C 0.545 176.655 176.600 -0.815 0.000 0.880 446 E CA 0.762 56.956 56.400 -0.343 0.000 0.971 446 E CB 0.771 30.282 29.700 -0.314 0.000 0.954 446 E HN 0.311 nan 8.360 nan 0.000 0.489 447 A N 0.393 122.420 122.820 -1.322 0.000 2.529 447 A HA 0.677 5.001 4.320 0.008 0.000 0.296 447 A C -0.869 175.937 177.584 -1.296 0.000 1.205 447 A CA -0.700 50.510 52.037 -1.379 0.000 0.671 447 A CB 0.652 19.298 19.000 -0.591 0.000 1.301 447 A HN 0.009 nan 8.150 nan 0.000 0.450 448 M N 0.435 119.681 119.600 -0.590 0.000 2.255 448 M HA 0.365 4.849 4.480 0.008 0.000 0.336 448 M C -0.595 175.634 176.300 -0.119 0.000 1.135 448 M CA 0.340 55.531 55.300 -0.183 0.000 1.145 448 M CB 0.472 33.052 32.600 -0.033 0.000 1.473 448 M HN 0.457 nan 8.290 nan 0.000 0.462 449 I N 2.065 122.635 120.570 0.000 0.000 2.318 449 I HA 0.082 4.256 4.170 0.008 0.000 0.285 449 I C 1.030 177.284 176.117 0.227 0.000 1.127 449 I CA -0.132 61.216 61.300 0.080 0.000 1.243 449 I CB -0.100 37.926 38.000 0.043 0.000 1.498 449 I HN 0.815 nan 8.210 nan 0.000 0.535 450 T N -1.945 112.718 114.554 0.183 0.000 3.044 450 T HA 0.050 4.404 4.350 0.008 0.000 0.250 450 T C 0.627 175.349 174.700 0.036 0.000 1.081 450 T CA -0.084 62.124 62.100 0.181 0.000 1.040 450 T CB 0.058 68.978 68.868 0.085 0.000 0.962 450 T HN 0.260 nan 8.240 nan 0.000 0.506 451 D N 1.584 122.061 120.400 0.128 0.000 2.485 451 D HA 0.406 5.051 4.640 0.008 0.000 0.221 451 D C -0.708 175.724 176.300 0.220 0.000 1.112 451 D CA -1.056 52.981 54.000 0.062 0.000 0.911 451 D CB -0.310 40.560 40.800 0.116 0.000 1.019 451 D HN 0.499 nan 8.370 nan 0.000 0.516 452 F N -0.144 119.897 119.950 0.151 0.000 2.650 452 F HA 0.769 5.301 4.527 0.007 0.000 0.320 452 F C -0.580 175.329 175.800 0.181 0.000 1.091 452 F CA -1.028 57.099 58.000 0.211 0.000 0.962 452 F CB 1.887 41.030 39.000 0.238 0.000 1.363 452 F HN -0.036 nan 8.300 nan 0.000 0.482 453 T N 1.226 116.103 114.554 0.538 0.000 2.889 453 T HA 0.652 5.006 4.350 0.008 0.000 0.315 453 T C -1.607 173.441 174.700 0.580 0.000 1.291 453 T CA -0.612 61.754 62.100 0.443 0.000 1.028 453 T CB 1.385 70.412 68.868 0.265 0.000 1.235 453 T HN 0.690 nan 8.240 nan 0.000 0.491 454 I N 3.641 124.510 120.570 0.498 0.000 2.377 454 I HA 0.379 4.553 4.170 0.008 0.000 0.293 454 I C 0.907 177.252 176.117 0.380 0.000 0.987 454 I CA -0.927 60.642 61.300 0.448 0.000 1.185 454 I CB 2.008 40.184 38.000 0.294 0.000 1.341 454 I HN 0.749 nan 8.210 nan 0.000 0.455 455 S N 2.544 118.317 115.700 0.122 0.000 2.573 455 S HA 0.036 4.510 4.470 0.008 0.000 0.277 455 S C 0.524 175.138 174.600 0.024 0.000 1.346 455 S CA -0.527 57.562 58.200 -0.186 0.000 1.034 455 S CB 0.924 63.730 63.200 -0.657 0.000 0.879 455 S HN 0.580 nan 8.310 nan 0.000 0.528 456 D N 1.498 121.938 120.400 0.066 0.000 2.263 456 D HA -0.104 4.540 4.640 0.008 0.000 0.208 456 D C 1.271 177.596 176.300 0.042 0.000 0.971 456 D CA 1.417 55.459 54.000 0.070 0.000 0.867 456 D CB -0.423 40.429 40.800 0.088 0.000 0.929 456 D HN 0.837 nan 8.370 nan 0.000 0.492 457 N N -0.818 117.896 118.700 0.023 0.000 2.314 457 N HA 0.014 4.759 4.740 0.008 0.000 0.200 457 N C -0.150 175.355 175.510 -0.010 0.000 1.135 457 N CA 0.019 53.077 53.050 0.013 0.000 0.835 457 N CB 0.220 38.724 38.487 0.029 0.000 0.989 457 N HN -0.270 nan 8.380 nan 0.000 0.478 458 S N -0.914 114.799 115.700 0.021 0.000 3.473 458 S HA -0.260 4.214 4.470 0.008 0.000 0.339 458 S C 1.013 175.636 174.600 0.037 0.000 1.148 458 S CA 1.159 59.433 58.200 0.123 0.000 0.969 458 S CB -1.252 62.068 63.200 0.199 0.000 0.936 458 S HN 0.787 nan 8.310 nan 0.000 0.530 459 R N -0.678 119.684 120.500 -0.230 0.000 2.195 459 R HA 0.312 4.657 4.340 0.008 0.000 0.197 459 R C -0.142 175.683 176.300 -0.792 0.000 0.990 459 R CA 0.572 56.313 56.100 -0.598 0.000 1.048 459 R CB 0.398 30.127 30.300 -0.951 0.000 0.997 459 R HN 0.364 nan 8.270 nan 0.000 0.502 460 F N 0.450 120.285 119.950 -0.192 0.000 2.522 460 F HA 0.506 5.038 4.527 0.007 0.000 0.324 460 F C -0.273 175.605 175.800 0.130 0.000 1.077 460 F CA -1.106 56.813 58.000 -0.135 0.000 0.944 460 F CB 1.952 40.740 39.000 -0.353 0.000 1.175 460 F HN -0.220 nan 8.300 nan 0.000 0.468 461 I N 2.494 123.390 120.570 0.543 0.000 2.448 461 I HA 0.491 4.665 4.170 0.008 0.000 0.281 461 I C -0.591 175.934 176.117 0.680 0.000 1.027 461 I CA -0.606 61.070 61.300 0.627 0.000 1.111 461 I CB 1.458 39.788 38.000 0.550 0.000 1.236 461 I HN 0.683 nan 8.210 nan 0.000 0.452 462 A N 6.805 130.011 122.820 0.644 0.000 2.306 462 A HA 0.871 5.196 4.320 0.008 0.000 0.314 462 A C -1.107 176.693 177.584 0.360 0.000 1.164 462 A CA -0.186 52.030 52.037 0.298 0.000 0.822 462 A CB 0.602 19.593 19.000 -0.016 0.000 1.130 462 A HN 0.708 nan 8.150 nan 0.000 0.496 463 Y N -1.198 119.220 120.300 0.197 0.000 2.641 463 Y HA 0.640 5.194 4.550 0.007 0.000 0.333 463 Y C 0.064 176.029 175.900 0.108 0.000 1.174 463 Y CA -0.942 57.280 58.100 0.202 0.000 1.057 463 Y CB 0.569 39.191 38.460 0.269 0.000 1.322 463 Y HN 0.864 nan 8.280 nan 0.000 0.457 464 G N 1.559 110.494 108.800 0.224 0.000 2.355 464 G HA2 0.396 4.361 3.960 0.008 0.000 0.276 464 G HA3 0.396 4.361 3.960 0.008 0.000 0.276 464 G C -1.860 173.118 174.900 0.129 0.000 1.198 464 G CA -0.362 44.779 45.100 0.069 0.000 0.876 464 G HN 0.687 nan 8.290 nan 0.000 0.478 465 F N 6.313 126.140 119.950 -0.205 0.000 2.347 465 F HA 0.460 4.991 4.527 0.007 0.000 0.366 465 F C -1.958 173.706 175.800 -0.227 0.000 1.107 465 F CA -2.941 54.912 58.000 -0.244 0.000 1.058 465 F CB 2.142 40.718 39.000 -0.706 0.000 1.236 465 F HN 0.258 nan 8.300 nan 0.000 0.456 466 P HA 0.246 nan 4.420 nan 0.000 0.271 466 P C -1.445 175.451 177.300 -0.673 0.000 1.216 466 P CA 0.031 62.811 63.100 -0.534 0.000 0.771 466 P CB 1.451 32.873 31.700 -0.464 0.000 0.864 467 L N 0.208 121.217 121.223 -0.357 0.000 2.568 467 L HA 0.741 5.086 4.340 0.008 0.000 0.257 467 L C -1.023 175.730 176.870 -0.194 0.000 1.024 467 L CA -0.802 53.895 54.840 -0.239 0.000 0.854 467 L CB 2.034 44.058 42.059 -0.058 0.000 1.460 467 L HN 0.116 nan 8.230 nan 0.000 0.409 468 K N 0.055 120.360 120.400 -0.159 0.000 2.464 468 K HA 0.449 4.774 4.320 0.008 0.000 0.253 468 K C -0.161 176.362 176.600 -0.129 0.000 0.933 468 K CA -0.864 55.334 56.287 -0.148 0.000 0.801 468 K CB 1.895 34.357 32.500 -0.064 0.000 1.271 468 K HN 0.701 nan 8.250 nan 0.000 0.430 469 H N 0.627 119.711 119.070 0.024 0.000 2.357 469 H HA -0.013 4.548 4.556 0.008 0.000 0.301 469 H C 0.950 176.289 175.328 0.018 0.000 1.082 469 H CA 1.104 57.166 56.048 0.022 0.000 1.342 469 H CB 0.452 30.227 29.762 0.021 0.000 1.389 469 H HN 0.691 nan 8.280 nan 0.000 0.511 470 G N -0.423 108.455 108.800 0.130 0.000 2.498 470 G HA2 0.210 4.175 3.960 0.008 0.000 0.312 470 G HA3 0.210 4.175 3.960 0.008 0.000 0.312 470 G C 0.635 175.555 174.900 0.034 0.000 1.230 470 G CA -0.366 44.778 45.100 0.072 0.000 0.968 470 G HN 0.181 nan 8.290 nan 0.000 0.481 471 E N -0.411 119.799 120.200 0.017 0.000 2.110 471 E HA -0.159 4.196 4.350 0.008 0.000 0.193 471 E C 1.603 178.195 176.600 -0.013 0.000 0.988 471 E CA 1.739 58.137 56.400 -0.003 0.000 0.804 471 E CB 0.040 29.732 29.700 -0.012 0.000 0.745 471 E HN 0.456 nan 8.360 nan 0.000 0.458 472 T N -0.775 113.774 114.554 -0.009 0.000 3.264 472 T HA 0.180 4.534 4.350 0.008 0.000 0.257 472 T C 0.056 174.758 174.700 0.002 0.000 0.976 472 T CA -0.588 61.501 62.100 -0.018 0.000 0.908 472 T CB 0.155 69.007 68.868 -0.026 0.000 1.082 472 T HN -0.055 nan 8.240 nan 0.000 0.567 473 D N 1.114 121.524 120.400 0.017 0.000 2.414 473 D HA 0.199 4.844 4.640 0.008 0.000 0.242 473 D C 1.293 177.605 176.300 0.020 0.000 1.129 473 D CA 0.320 54.348 54.000 0.047 0.000 0.885 473 D CB 1.520 42.361 40.800 0.069 0.000 1.198 473 D HN 0.401 nan 8.370 nan 0.000 0.437 474 G N 2.473 111.303 108.800 0.049 0.000 2.511 474 G HA2 -0.112 3.852 3.960 0.008 0.000 0.217 474 G HA3 -0.112 3.852 3.960 0.008 0.000 0.217 474 G C 0.084 174.826 174.900 -0.263 0.000 1.133 474 G CA 0.595 45.650 45.100 -0.074 0.000 0.792 474 G HN 0.425 nan 8.290 nan 0.000 0.539 475 Y N -1.355 118.945 120.300 0.000 0.000 2.524 475 Y HA 0.566 5.120 4.550 0.007 0.000 0.344 475 Y C -0.438 175.442 175.900 -0.034 0.000 1.012 475 Y CA -1.029 57.063 58.100 -0.015 0.000 1.068 475 Y CB 2.518 40.980 38.460 0.003 0.000 1.249 475 Y HN -0.202 nan 8.280 nan 0.000 0.468 476 V N 4.921 124.885 119.914 0.082 0.000 2.347 476 V HA 0.293 4.418 4.120 0.008 0.000 0.280 476 V C -0.121 175.990 176.094 0.028 0.000 1.021 476 V CA -0.772 61.526 62.300 -0.003 0.000 0.847 476 V CB 0.720 32.501 31.823 -0.071 0.000 0.990 476 V HN 0.676 nan 8.190 nan 0.000 0.444 477 M N 3.697 123.280 119.600 -0.029 0.000 2.267 477 M HA 0.506 4.990 4.480 0.008 0.000 0.303 477 M C -0.235 176.022 176.300 -0.072 0.000 1.164 477 M CA -0.133 55.155 55.300 -0.019 0.000 1.060 477 M CB 0.676 33.229 32.600 -0.078 0.000 1.455 477 M HN 0.710 nan 8.290 nan 0.000 0.483 478 Q N 0.188 119.938 119.800 -0.082 0.000 2.271 478 Q HA 0.697 5.041 4.340 0.008 0.000 0.268 478 Q C -2.084 173.838 176.000 -0.130 0.000 1.021 478 Q CA -0.462 55.238 55.803 -0.172 0.000 0.802 478 Q CB 2.238 30.752 28.738 -0.373 0.000 1.282 478 Q HN 0.856 nan 8.270 nan 0.000 0.431 479 A N 4.460 127.225 122.820 -0.092 0.000 2.365 479 A HA 0.660 4.984 4.320 0.008 0.000 0.318 479 A C -0.793 176.725 177.584 -0.110 0.000 1.091 479 A CA -0.709 51.287 52.037 -0.068 0.000 0.763 479 A CB 0.981 20.006 19.000 0.042 0.000 1.248 479 A HN 0.714 nan 8.150 nan 0.000 0.442 480 I N 2.631 123.108 120.570 -0.155 0.000 2.496 480 I HA 0.228 4.403 4.170 0.008 0.000 0.285 480 I C -0.172 175.915 176.117 -0.050 0.000 1.080 480 I CA 0.176 61.352 61.300 -0.206 0.000 1.404 480 I CB 0.174 37.947 38.000 -0.379 0.000 1.403 480 I HN 0.564 nan 8.210 nan 0.000 0.539 481 H N 4.326 123.088 119.070 -0.512 0.000 2.569 481 H HA 0.618 5.179 4.556 0.008 0.000 0.357 481 H C -0.704 174.332 175.328 -0.487 0.000 1.153 481 H CA -0.804 54.915 56.048 -0.548 0.000 1.193 481 H CB 2.168 31.476 29.762 -0.758 0.000 1.602 481 H HN 0.198 nan 8.280 nan 0.000 0.523 482 V N 3.503 123.404 119.914 -0.023 0.000 2.443 482 V HA 0.116 4.241 4.120 0.008 0.000 0.293 482 V C -1.064 175.259 176.094 0.382 0.000 1.021 482 V CA -0.894 61.515 62.300 0.181 0.000 0.848 482 V CB 1.120 33.020 31.823 0.130 0.000 0.998 482 V HN 0.630 nan 8.190 nan 0.000 0.424 483 Y N 3.791 124.301 120.300 0.350 0.000 2.320 483 Y HA 0.562 5.116 4.550 0.007 0.000 0.334 483 Y C -0.080 176.009 175.900 0.314 0.000 1.055 483 Y CA -0.849 57.444 58.100 0.322 0.000 1.143 483 Y CB 1.334 39.972 38.460 0.296 0.000 1.193 483 Y HN 0.669 nan 8.280 nan 0.000 0.477 484 D N 6.507 126.714 120.400 -0.321 0.000 2.329 484 D HA 0.133 4.778 4.640 0.008 0.000 0.232 484 D C 0.854 176.686 176.300 -0.780 0.000 1.088 484 D CA -0.268 53.524 54.000 -0.346 0.000 0.835 484 D CB 1.105 41.898 40.800 -0.011 0.000 1.078 484 D HN 0.672 nan 8.370 nan 0.000 0.495 485 M N 1.837 121.049 119.600 -0.646 0.000 2.202 485 M HA -0.124 4.360 4.480 0.008 0.000 0.262 485 M C 0.304 176.391 176.300 -0.355 0.000 1.063 485 M CA 1.354 56.356 55.300 -0.497 0.000 1.097 485 M CB -0.552 31.830 32.600 -0.363 0.000 1.382 485 M HN 0.386 nan 8.290 nan 0.000 0.413 486 E N -0.460 119.547 120.200 -0.321 0.000 2.174 486 E HA 0.433 4.787 4.350 0.008 0.000 0.282 486 E C 0.949 177.462 176.600 -0.145 0.000 0.992 486 E CA 0.210 56.493 56.400 -0.194 0.000 0.803 486 E CB 0.840 30.441 29.700 -0.166 0.000 1.090 486 E HN 0.441 nan 8.360 nan 0.000 0.396 487 G N 3.751 112.496 108.800 -0.092 0.000 2.284 487 G HA2 -0.406 3.559 3.960 0.008 0.000 0.230 487 G HA3 -0.406 3.559 3.960 0.008 0.000 0.230 487 G C 0.432 175.299 174.900 -0.055 0.000 1.021 487 G CA -0.064 45.012 45.100 -0.039 0.000 0.619 487 G HN 0.599 nan 8.290 nan 0.000 0.510 488 R N -0.036 120.374 120.500 -0.150 0.000 3.251 488 R HA -0.203 4.142 4.340 0.008 0.000 0.249 488 R C 0.159 176.479 176.300 0.034 0.000 0.949 488 R CA 1.678 57.706 56.100 -0.119 0.000 0.645 488 R CB -1.990 28.347 30.300 0.062 0.000 1.065 488 R HN 0.874 nan 8.270 nan 0.000 0.452 489 K N 0.096 120.465 120.400 -0.052 0.000 2.375 489 K HA 0.612 4.936 4.320 0.008 0.000 0.249 489 K C -0.271 176.296 176.600 -0.054 0.000 0.942 489 K CA -1.015 55.229 56.287 -0.073 0.000 0.806 489 K CB 2.044 34.391 32.500 -0.256 0.000 1.227 489 K HN 0.003 nan 8.250 nan 0.000 0.430 490 I N 2.716 123.215 120.570 -0.118 0.000 2.342 490 I HA 0.295 4.469 4.170 0.008 0.000 0.291 490 I C -0.758 175.133 176.117 -0.375 0.000 1.010 490 I CA -0.689 60.587 61.300 -0.041 0.000 1.308 490 I CB 0.335 38.322 38.000 -0.023 0.000 1.400 490 I HN 0.434 nan 8.210 nan 0.000 0.488 491 F N 3.777 123.671 119.950 -0.094 0.000 2.523 491 F HA 0.643 5.174 4.527 0.008 0.000 0.329 491 F C 0.472 176.120 175.800 -0.253 0.000 1.061 491 F CA -0.876 57.041 58.000 -0.138 0.000 0.967 491 F CB 1.508 40.465 39.000 -0.072 0.000 1.218 491 F HN 0.372 nan 8.300 nan 0.000 0.480 492 A N 0.904 123.703 122.820 -0.034 0.000 2.269 492 A HA 0.626 4.951 4.320 0.008 0.000 0.302 492 A C 0.650 178.256 177.584 0.037 0.000 1.266 492 A CA 0.108 52.063 52.037 -0.136 0.000 0.894 492 A CB 0.259 19.148 19.000 -0.186 0.000 1.147 492 A HN 0.965 nan 8.150 nan 0.000 0.537 493 A N 2.579 125.375 122.820 -0.041 0.000 1.930 493 A HA 0.331 4.655 4.320 0.008 0.000 0.215 493 A C 1.386 178.923 177.584 -0.079 0.000 1.176 493 A CA 1.781 53.771 52.037 -0.078 0.000 0.632 493 A CB -0.266 18.602 19.000 -0.221 0.000 0.819 493 A HN 1.318 nan 8.150 nan 0.000 0.445 494 T N -3.541 110.934 114.554 -0.131 0.000 2.865 494 T HA 0.528 4.883 4.350 0.008 0.000 0.294 494 T C 0.039 174.636 174.700 -0.171 0.000 1.119 494 T CA 0.054 62.075 62.100 -0.133 0.000 1.007 494 T CB 1.089 69.801 68.868 -0.260 0.000 1.225 494 T HN 0.443 nan 8.240 nan 0.000 0.515 495 T N -0.673 113.779 114.554 -0.170 0.000 2.754 495 T HA 0.356 4.711 4.350 0.008 0.000 0.286 495 T C 0.295 174.937 174.700 -0.098 0.000 0.997 495 T CA -0.701 61.274 62.100 -0.208 0.000 0.982 495 T CB 0.257 69.044 68.868 -0.136 0.000 1.027 495 T HN 0.832 nan 8.240 nan 0.000 0.529 496 E N 0.185 120.357 120.200 -0.047 0.000 2.947 496 E HA 0.271 4.625 4.350 0.008 0.000 0.229 496 E C -0.394 176.246 176.600 0.067 0.000 1.158 496 E CA -0.447 55.951 56.400 -0.003 0.000 1.441 496 E CB -0.570 29.122 29.700 -0.013 0.000 1.414 496 E HN 0.677 nan 8.360 nan 0.000 0.432 497 N N 0.411 119.145 118.700 0.056 0.000 2.184 497 N HA -0.007 4.738 4.740 0.008 0.000 0.206 497 N C 0.139 175.683 175.510 0.057 0.000 1.151 497 N CA 0.239 53.345 53.050 0.094 0.000 0.878 497 N CB 0.857 39.376 38.487 0.052 0.000 1.014 497 N HN 0.296 nan 8.380 nan 0.000 0.512 498 S N -1.348 114.382 115.700 0.050 0.000 4.140 498 S HA 0.223 4.698 4.470 0.008 0.000 0.286 498 S C -1.337 173.350 174.600 0.146 0.000 1.074 498 S CA -0.757 57.493 58.200 0.084 0.000 1.289 498 S CB 1.436 64.687 63.200 0.085 0.000 1.584 498 S HN 0.042 nan 8.310 nan 0.000 0.675 499 H N 1.783 120.929 119.070 0.127 0.000 2.800 499 H HA 0.513 5.074 4.556 0.007 0.000 0.322 499 H C -1.790 173.736 175.328 0.330 0.000 0.979 499 H CA -0.294 55.869 56.048 0.191 0.000 1.277 499 H CB 0.774 30.659 29.762 0.205 0.000 1.484 499 H HN 0.552 nan 8.280 nan 0.000 0.512 500 D N 5.794 126.228 120.400 0.057 0.000 2.278 500 D HA 0.239 4.883 4.640 0.008 0.000 0.245 500 D C -0.265 176.142 176.300 0.178 0.000 1.052 500 D CA -0.144 53.966 54.000 0.183 0.000 0.834 500 D CB 2.241 43.034 40.800 -0.011 0.000 1.194 500 D HN 0.579 nan 8.370 nan 0.000 0.481 501 Y N -2.182 118.155 120.300 0.061 0.000 2.905 501 Y HA 0.549 5.103 4.550 0.007 0.000 0.322 501 Y C -0.031 175.940 175.900 0.119 0.000 1.455 501 Y CA -1.447 56.684 58.100 0.051 0.000 1.083 501 Y CB 0.560 39.086 38.460 0.110 0.000 1.473 501 Y HN 0.387 nan 8.280 nan 0.000 0.449 502 A N -0.019 122.894 122.820 0.155 0.000 2.687 502 A HA -0.135 4.190 4.320 0.008 0.000 0.299 502 A C -2.566 175.021 177.584 0.005 0.000 1.497 502 A CA 0.359 52.423 52.037 0.045 0.000 0.751 502 A CB -2.632 16.340 19.000 -0.046 0.000 1.048 502 A HN 0.582 nan 8.150 nan 0.000 0.464 503 P HA 0.452 nan 4.420 nan 0.000 0.269 503 P C -0.163 177.103 177.300 -0.056 0.000 1.215 503 P CA 0.858 63.947 63.100 -0.019 0.000 0.780 503 P CB 1.213 32.863 31.700 -0.083 0.000 0.898 504 A N 2.319 125.071 122.820 -0.114 0.000 2.513 504 A HA 0.634 4.958 4.320 0.008 0.000 0.296 504 A C -1.249 176.288 177.584 -0.078 0.000 1.052 504 A CA -0.564 51.433 52.037 -0.067 0.000 0.714 504 A CB 0.649 19.657 19.000 0.014 0.000 1.279 504 A HN 0.326 nan 8.150 nan 0.000 0.397 505 F N 1.498 121.558 119.950 0.185 0.000 2.403 505 F HA 0.478 5.009 4.527 0.007 0.000 0.326 505 F C 0.722 176.634 175.800 0.186 0.000 1.081 505 F CA -0.153 57.968 58.000 0.203 0.000 1.041 505 F CB 1.430 40.539 39.000 0.182 0.000 1.234 505 F HN 0.712 nan 8.300 nan 0.000 0.503 506 D N 0.930 121.593 120.400 0.438 0.000 2.340 506 D HA 0.359 5.003 4.640 0.008 0.000 0.251 506 D C 0.793 177.231 176.300 0.230 0.000 1.080 506 D CA -0.454 53.713 54.000 0.279 0.000 0.971 506 D CB 0.894 41.884 40.800 0.316 0.000 1.137 506 D HN 0.557 nan 8.370 nan 0.000 0.475 507 A N 1.086 123.998 122.820 0.154 0.000 1.896 507 A HA -0.289 4.035 4.320 0.008 0.000 0.220 507 A C 1.555 179.215 177.584 0.127 0.000 1.206 507 A CA 2.131 54.242 52.037 0.124 0.000 0.647 507 A CB -0.895 18.158 19.000 0.089 0.000 0.828 507 A HN 0.636 nan 8.150 nan 0.000 0.455 508 D N -0.489 119.988 120.400 0.128 0.000 2.350 508 D HA 0.075 4.720 4.640 0.008 0.000 0.216 508 D C 0.507 176.900 176.300 0.155 0.000 0.968 508 D CA 1.131 55.202 54.000 0.119 0.000 0.894 508 D CB -0.170 40.690 40.800 0.100 0.000 0.909 508 D HN 0.323 nan 8.370 nan 0.000 0.520 509 S N -1.067 114.749 115.700 0.194 0.000 3.749 509 S HA -0.207 4.267 4.470 0.008 0.000 0.348 509 S C 1.063 175.831 174.600 0.280 0.000 1.045 509 S CA 0.536 58.864 58.200 0.214 0.000 1.051 509 S CB -1.247 62.058 63.200 0.175 0.000 0.898 509 S HN 0.451 nan 8.310 nan 0.000 0.472 510 K N -0.370 120.177 120.400 0.244 0.000 2.391 510 K HA 0.193 4.517 4.320 0.008 0.000 0.197 510 K C 0.096 176.796 176.600 0.166 0.000 1.087 510 K CA 0.247 56.659 56.287 0.208 0.000 1.012 510 K CB 0.307 32.880 32.500 0.122 0.000 0.925 510 K HN 0.464 nan 8.250 nan 0.000 0.547 511 N N 0.449 119.270 118.700 0.202 0.000 2.284 511 N HA 0.324 5.068 4.740 0.008 0.000 0.289 511 N C -2.038 173.584 175.510 0.185 0.000 1.179 511 N CA -0.742 52.363 53.050 0.092 0.000 0.774 511 N CB 2.168 40.616 38.487 -0.064 0.000 1.548 511 N HN -0.132 nan 8.380 nan 0.000 0.473 512 L N 2.041 123.275 121.223 0.018 0.000 2.316 512 L HA 0.554 4.898 4.340 0.008 0.000 0.280 512 L C -1.733 175.120 176.870 -0.028 0.000 1.006 512 L CA -0.461 54.356 54.840 -0.038 0.000 0.836 512 L CB -0.049 41.927 42.059 -0.138 0.000 1.221 512 L HN 0.493 nan 8.230 nan 0.000 0.418 513 Y N 5.124 125.418 120.300 -0.011 0.000 2.403 513 Y HA 0.678 5.233 4.550 0.008 0.000 0.323 513 Y C -0.194 175.750 175.900 0.073 0.000 1.226 513 Y CA -0.010 58.095 58.100 0.009 0.000 1.235 513 Y CB 1.366 39.795 38.460 -0.052 0.000 1.248 513 Y HN 0.655 nan 8.280 nan 0.000 0.489 514 Y N -1.768 118.563 120.300 0.051 0.000 2.818 514 Y HA 0.737 5.292 4.550 0.007 0.000 0.341 514 Y C -2.344 173.493 175.900 -0.105 0.000 1.283 514 Y CA -1.850 56.205 58.100 -0.075 0.000 1.075 514 Y CB 0.773 39.166 38.460 -0.111 0.000 1.370 514 Y HN 0.408 nan 8.280 nan 0.000 0.448 515 L N 1.959 123.033 121.223 -0.247 0.000 2.279 515 L HA 0.930 5.275 4.340 0.008 0.000 0.262 515 L C -0.753 175.952 176.870 -0.276 0.000 1.019 515 L CA -0.957 53.622 54.840 -0.436 0.000 0.823 515 L CB 2.376 43.946 42.059 -0.814 0.000 1.358 515 L HN 0.954 nan 8.230 nan 0.000 0.432 516 S N -1.297 114.387 115.700 -0.026 0.000 2.565 516 S HA 0.383 4.857 4.470 0.008 0.000 0.274 516 S C -1.335 173.394 174.600 0.214 0.000 1.144 516 S CA -0.782 57.576 58.200 0.264 0.000 0.849 516 S CB 0.722 64.054 63.200 0.220 0.000 1.103 516 S HN 0.390 nan 8.310 nan 0.000 0.455 517 Y N 1.265 121.797 120.300 0.385 0.000 2.903 517 Y HA 0.392 4.947 4.550 0.008 0.000 0.387 517 Y C 1.628 177.587 175.900 0.099 0.000 1.189 517 Y CA -0.514 57.713 58.100 0.212 0.000 1.856 517 Y CB -0.156 38.380 38.460 0.127 0.000 1.917 517 Y HN 0.609 nan 8.280 nan 0.000 0.448 518 R N -1.307 119.326 120.500 0.223 0.000 2.307 518 R HA 0.146 4.491 4.340 0.008 0.000 0.200 518 R C 0.610 176.975 176.300 0.109 0.000 0.893 518 R CA 0.071 56.246 56.100 0.125 0.000 1.042 518 R CB 0.451 30.809 30.300 0.097 0.000 1.059 518 R HN 0.037 nan 8.270 nan 0.000 0.530 519 S N 2.392 118.186 115.700 0.157 0.000 4.120 519 S HA 0.184 4.658 4.470 0.008 0.000 0.215 519 S C 0.141 174.795 174.600 0.090 0.000 1.347 519 S CA -0.072 58.204 58.200 0.126 0.000 0.889 519 S CB -0.308 62.971 63.200 0.131 0.000 1.585 519 S HN 0.180 nan 8.310 nan 0.000 0.447 520 L N 2.881 124.117 121.223 0.021 0.000 2.455 520 L HA 0.283 4.628 4.340 0.008 0.000 0.272 520 L C 0.264 177.248 176.870 0.190 0.000 1.174 520 L CA 0.103 54.939 54.840 -0.006 0.000 0.869 520 L CB 0.181 42.129 42.059 -0.185 0.000 1.130 520 L HN 0.348 nan 8.230 nan 0.000 0.474 521 D N 4.421 125.052 120.400 0.385 0.000 2.804 521 D HA 0.265 4.910 4.640 0.008 0.000 0.209 521 D C -2.750 173.728 176.300 0.296 0.000 1.314 521 D CA -0.976 53.192 54.000 0.281 0.000 0.894 521 D CB 2.435 43.340 40.800 0.175 0.000 1.615 521 D HN 0.086 nan 8.370 nan 0.000 0.571 522 P HA 0.320 nan 4.420 nan 0.000 0.279 522 P C -0.699 176.651 177.300 0.083 0.000 1.239 522 P CA -0.439 62.634 63.100 -0.044 0.000 0.789 522 P CB 1.103 32.709 31.700 -0.158 0.000 0.933 523 S N 3.436 119.186 115.700 0.083 0.000 2.472 523 S HA 0.501 4.976 4.470 0.008 0.000 0.303 523 S C -2.369 172.303 174.600 0.119 0.000 1.099 523 S CA -1.342 56.920 58.200 0.102 0.000 1.077 523 S CB 1.268 64.495 63.200 0.044 0.000 1.031 523 S HN 0.444 nan 8.310 nan 0.000 0.487 524 P HA 0.118 nan 4.420 nan 0.000 0.275 524 P C -1.008 176.133 177.300 -0.265 0.000 1.227 524 P CA -0.289 62.706 63.100 -0.176 0.000 0.781 524 P CB 0.584 32.272 31.700 -0.020 0.000 0.906 525 D N 3.157 123.288 120.400 -0.449 0.000 2.308 525 D HA 0.049 4.694 4.640 0.008 0.000 0.251 525 D C 0.995 177.155 176.300 -0.234 0.000 1.127 525 D CA -0.317 53.501 54.000 -0.302 0.000 0.876 525 D CB 0.825 41.416 40.800 -0.348 0.000 1.176 525 D HN 0.110 nan 8.370 nan 0.000 0.446 526 R N 2.833 123.246 120.500 -0.146 0.000 2.307 526 R HA 0.040 4.384 4.340 0.008 0.000 0.199 526 R C 1.081 177.330 176.300 -0.085 0.000 1.000 526 R CA 0.258 56.298 56.100 -0.099 0.000 1.023 526 R CB -0.065 30.199 30.300 -0.060 0.000 0.908 526 R HN 0.345 nan 8.270 nan 0.000 0.473 527 V N -0.604 119.247 119.914 -0.105 0.000 2.948 527 V HA 0.128 4.252 4.120 0.008 0.000 0.234 527 V C 0.728 176.774 176.094 -0.080 0.000 1.205 527 V CA 0.365 62.624 62.300 -0.069 0.000 1.234 527 V CB 0.581 32.378 31.823 -0.043 0.000 1.020 527 V HN -0.198 nan 8.190 nan 0.000 0.491 528 V N 1.715 121.537 119.914 -0.153 0.000 2.612 528 V HA 0.425 4.549 4.120 0.008 0.000 0.301 528 V C -0.193 175.789 176.094 -0.187 0.000 1.046 528 V CA -0.725 61.483 62.300 -0.154 0.000 0.946 528 V CB 1.908 33.528 31.823 -0.339 0.000 1.003 528 V HN 0.321 nan 8.190 nan 0.000 0.459 529 L N 4.845 126.005 121.223 -0.104 0.000 2.600 529 L HA 0.314 4.659 4.340 0.008 0.000 0.278 529 L C -0.044 176.719 176.870 -0.178 0.000 1.139 529 L CA 1.145 55.909 54.840 -0.127 0.000 0.933 529 L CB -1.363 40.695 42.059 -0.003 0.000 1.266 529 L HN 0.911 nan 8.230 nan 0.000 0.471 530 N N 3.184 121.635 118.700 -0.415 0.000 3.185 530 N HA 0.521 5.265 4.740 0.008 0.000 0.238 530 N C -1.840 173.230 175.510 -0.733 0.000 1.451 530 N CA -0.640 52.206 53.050 -0.341 0.000 0.888 530 N CB 0.901 39.228 38.487 -0.265 0.000 1.413 530 N HN 0.260 nan 8.380 nan 0.000 0.511 531 F N 0.433 120.301 119.950 -0.136 0.000 2.631 531 F HA 0.567 5.099 4.527 0.008 0.000 0.308 531 F C 0.023 175.661 175.800 -0.269 0.000 1.097 531 F CA -0.408 57.483 58.000 -0.182 0.000 0.952 531 F CB 2.088 40.976 39.000 -0.186 0.000 1.307 531 F HN 0.502 nan 8.300 nan 0.000 0.450 532 S N 0.252 115.863 115.700 -0.148 0.000 2.638 532 S HA 0.722 5.197 4.470 0.008 0.000 0.274 532 S C -1.523 172.858 174.600 -0.364 0.000 1.157 532 S CA -0.860 57.161 58.200 -0.298 0.000 0.826 532 S CB 1.165 64.286 63.200 -0.132 0.000 1.139 532 S HN 0.351 nan 8.310 nan 0.000 0.474 533 F N 2.187 122.159 119.950 0.037 0.000 2.377 533 F HA 0.421 4.953 4.527 0.007 0.000 0.360 533 F C 1.531 177.346 175.800 0.025 0.000 1.147 533 F CA -0.514 57.509 58.000 0.038 0.000 1.170 533 F CB 0.794 39.812 39.000 0.030 0.000 1.339 533 F HN 0.610 nan 8.300 nan 0.000 0.552 534 E N 1.741 122.032 120.200 0.153 0.000 2.079 534 E HA 0.019 4.374 4.350 0.008 0.000 0.191 534 E C 0.834 177.507 176.600 0.122 0.000 0.961 534 E CA 0.844 57.302 56.400 0.097 0.000 0.823 534 E CB 0.091 29.820 29.700 0.048 0.000 0.789 534 E HN 0.326 nan 8.360 nan 0.000 0.459 535 V N 0.744 120.736 119.914 0.129 0.000 2.233 535 V HA 0.307 4.432 4.120 0.008 0.000 0.261 535 V C 0.526 176.701 176.094 0.134 0.000 1.076 535 V CA -0.497 61.860 62.300 0.095 0.000 1.001 535 V CB 0.522 32.377 31.823 0.053 0.000 1.206 535 V HN 0.025 nan 8.190 nan 0.000 0.468 536 V N -0.546 119.487 119.914 0.198 0.000 3.070 536 V HA 0.481 4.605 4.120 0.008 0.000 0.345 536 V C 0.573 176.789 176.094 0.203 0.000 1.403 536 V CA 0.447 62.872 62.300 0.209 0.000 1.155 536 V CB 0.210 32.170 31.823 0.228 0.000 1.140 536 V HN 0.595 nan 8.190 nan 0.000 0.505 537 S N 1.606 117.369 115.700 0.106 0.000 2.480 537 S HA 0.667 5.141 4.470 0.008 0.000 0.286 537 S C -0.506 174.185 174.600 0.152 0.000 1.180 537 S CA -0.407 57.788 58.200 -0.009 0.000 1.075 537 S CB 1.043 64.122 63.200 -0.203 0.000 0.996 537 S HN 0.698 nan 8.310 nan 0.000 0.487 538 K N 4.323 124.824 120.400 0.169 0.000 2.523 538 K HA 0.561 4.885 4.320 0.008 0.000 0.257 538 K C -2.950 173.617 176.600 -0.054 0.000 0.932 538 K CA -2.205 54.134 56.287 0.086 0.000 0.812 538 K CB 2.063 34.544 32.500 -0.031 0.000 1.326 538 K HN 0.368 nan 8.250 nan 0.000 0.433 539 P HA 0.317 nan 4.420 nan 0.000 0.282 539 P C -1.128 175.833 177.300 -0.565 0.000 1.249 539 P CA -0.225 62.676 63.100 -0.332 0.000 0.806 539 P CB 0.614 32.109 31.700 -0.342 0.000 0.984 540 F N 0.191 119.788 119.950 -0.588 0.000 2.643 540 F HA 0.561 5.092 4.527 0.008 0.000 0.314 540 F C -0.087 175.374 175.800 -0.565 0.000 1.096 540 F CA -0.890 56.743 58.000 -0.610 0.000 0.953 540 F CB 2.067 40.556 39.000 -0.851 0.000 1.345 540 F HN 0.078 nan 8.300 nan 0.000 0.468 541 V N 2.671 122.493 119.914 -0.154 0.000 3.078 541 V HA 0.707 4.831 4.120 0.008 0.000 0.311 541 V C -1.563 174.484 176.094 -0.079 0.000 1.138 541 V CA -0.739 61.391 62.300 -0.283 0.000 1.007 541 V CB 2.508 33.949 31.823 -0.637 0.000 1.045 541 V HN 0.602 nan 8.190 nan 0.000 0.432 542 I N 6.134 126.645 120.570 -0.098 0.000 2.500 542 I HA 0.414 4.588 4.170 0.008 0.000 0.286 542 I C -2.662 173.409 176.117 -0.078 0.000 1.063 542 I CA -1.706 59.574 61.300 -0.034 0.000 1.062 542 I CB 2.797 40.812 38.000 0.026 0.000 1.223 542 I HN 0.472 nan 8.210 nan 0.000 0.435 543 P HA 0.183 nan 4.420 nan 0.000 0.276 543 P C 0.590 177.871 177.300 -0.031 0.000 1.243 543 P CA -0.207 62.866 63.100 -0.044 0.000 0.768 543 P CB 1.211 32.888 31.700 -0.039 0.000 0.856 544 L N 2.378 123.602 121.223 0.003 0.000 2.465 544 L HA -0.006 4.339 4.340 0.008 0.000 0.224 544 L C 0.691 177.607 176.870 0.077 0.000 1.145 544 L CA 0.936 55.773 54.840 -0.004 0.000 0.834 544 L CB -0.368 41.701 42.059 0.016 0.000 0.944 544 L HN 0.327 nan 8.230 nan 0.000 0.451 545 I N 0.041 120.638 120.570 0.045 0.000 2.359 545 I HA 0.316 4.490 4.170 0.008 0.000 0.284 545 I C -2.258 173.849 176.117 -0.017 0.000 1.018 545 I CA -2.313 58.995 61.300 0.012 0.000 1.173 545 I CB 0.978 38.957 38.000 -0.034 0.000 1.326 545 I HN -0.300 nan 8.210 nan 0.000 0.462 546 P HA 0.134 nan 4.420 nan 0.000 0.263 546 P C 1.007 178.289 177.300 -0.030 0.000 1.175 546 P CA 0.843 63.922 63.100 -0.035 0.000 0.761 546 P CB 0.592 32.270 31.700 -0.038 0.000 0.794 547 G N 1.469 110.251 108.800 -0.030 0.000 2.241 547 G HA2 -0.251 3.714 3.960 0.008 0.000 0.244 547 G HA3 -0.251 3.714 3.960 0.008 0.000 0.244 547 G C 0.544 175.431 174.900 -0.021 0.000 0.998 547 G CA 0.166 45.251 45.100 -0.025 0.000 0.621 547 G HN 0.730 nan 8.290 nan 0.000 0.519 548 S N 3.109 118.796 115.700 -0.022 0.000 2.523 548 S HA 0.597 5.071 4.470 0.008 0.000 0.275 548 S C -1.324 173.265 174.600 -0.019 0.000 1.281 548 S CA -0.537 57.652 58.200 -0.018 0.000 1.050 548 S CB 1.346 64.536 63.200 -0.017 0.000 0.937 548 S HN 0.444 nan 8.310 nan 0.000 0.492 549 P HA 0.178 nan 4.420 nan 0.000 0.279 549 P C -0.885 176.404 177.300 -0.017 0.000 1.276 549 P CA -0.812 62.280 63.100 -0.014 0.000 0.801 549 P CB 0.419 32.115 31.700 -0.007 0.000 1.127 550 N N 1.729 120.416 118.700 -0.021 0.000 2.427 550 N HA 0.010 4.754 4.740 0.008 0.000 0.269 550 N C -1.261 174.249 175.510 -0.001 0.000 1.235 550 N CA -1.724 51.307 53.050 -0.033 0.000 0.934 550 N CB -0.047 38.417 38.487 -0.038 0.000 1.121 550 N HN 0.182 nan 8.380 nan 0.000 0.480 551 P HA -0.199 nan 4.420 nan 0.000 0.215 551 P C 1.070 178.417 177.300 0.078 0.000 1.157 551 P CA 1.927 65.063 63.100 0.059 0.000 0.874 551 P CB -0.354 31.407 31.700 0.103 0.000 0.790 552 T N -2.353 112.265 114.554 0.106 0.000 2.918 552 T HA -0.141 4.214 4.350 0.008 0.000 0.271 552 T C 1.741 176.494 174.700 0.088 0.000 1.104 552 T CA 1.124 63.302 62.100 0.131 0.000 1.114 552 T CB -0.810 68.154 68.868 0.160 0.000 0.855 552 T HN 0.206 nan 8.240 nan 0.000 0.518 553 K N 0.679 121.107 120.400 0.047 0.000 2.362 553 K HA 0.214 4.539 4.320 0.008 0.000 0.200 553 K C 0.667 177.284 176.600 0.030 0.000 1.046 553 K CA 0.422 56.727 56.287 0.030 0.000 0.952 553 K CB -0.423 32.084 32.500 0.012 0.000 0.753 553 K HN 0.421 nan 8.250 nan 0.000 0.466 554 L N 0.583 121.826 121.223 0.033 0.000 3.608 554 L HA -0.183 4.162 4.340 0.008 0.000 0.422 554 L C -0.639 176.240 176.870 0.015 0.000 1.260 554 L CA -0.350 54.504 54.840 0.024 0.000 0.889 554 L CB -1.957 40.114 42.059 0.020 0.000 1.821 554 L HN -0.123 nan 8.230 nan 0.000 0.884 555 V N 0.327 120.249 119.914 0.014 0.000 2.439 555 V HA 0.201 4.325 4.120 0.008 0.000 0.271 555 V C -1.278 174.820 176.094 0.007 0.000 1.040 555 V CA -1.214 61.091 62.300 0.008 0.000 1.002 555 V CB 0.421 32.247 31.823 0.006 0.000 1.000 555 V HN 0.113 nan 8.190 nan 0.000 0.477 556 P HA -0.058 nan 4.420 nan 0.000 0.259 556 P C 0.798 178.100 177.300 0.003 0.000 1.155 556 P CA 0.105 63.208 63.100 0.004 0.000 0.759 556 P CB 0.437 32.139 31.700 0.002 0.000 0.753 557 R N 4.135 124.637 120.500 0.003 0.000 2.091 557 R HA -0.162 4.183 4.340 0.008 0.000 0.238 557 R C 1.870 178.170 176.300 -0.000 0.000 1.136 557 R CA 2.445 58.546 56.100 0.002 0.000 0.959 557 R CB -1.340 28.962 30.300 0.003 0.000 0.856 557 R HN 0.516 nan 8.270 nan 0.000 0.437 558 S N -0.733 114.967 115.700 -0.000 0.000 2.469 558 S HA -0.104 4.371 4.470 0.008 0.000 0.238 558 S C 1.690 176.289 174.600 -0.002 0.000 0.998 558 S CA 1.289 59.488 58.200 -0.002 0.000 0.957 558 S CB -0.226 62.973 63.200 -0.001 0.000 0.764 558 S HN 0.399 nan 8.310 nan 0.000 0.514 559 M N 2.133 121.732 119.600 -0.001 0.000 2.419 559 M HA 0.176 4.660 4.480 0.008 0.000 0.252 559 M C 0.208 176.506 176.300 -0.003 0.000 1.143 559 M CA 0.032 55.330 55.300 -0.002 0.000 0.985 559 M CB 0.422 33.021 32.600 -0.001 0.000 1.489 559 M HN 0.496 nan 8.290 nan 0.000 0.484 560 T N -2.372 112.180 114.554 -0.004 0.000 2.901 560 T HA 0.585 4.939 4.350 0.008 0.000 0.293 560 T C -0.068 174.628 174.700 -0.007 0.000 1.084 560 T CA -0.846 61.250 62.100 -0.005 0.000 1.008 560 T CB 1.947 70.813 68.868 -0.005 0.000 1.170 560 T HN 0.105 nan 8.240 nan 0.000 0.509 561 S N 0.300 115.994 115.700 -0.010 0.000 2.158 561 S HA 0.479 4.954 4.470 0.008 0.000 0.160 561 S C -0.200 174.390 174.600 -0.016 0.000 1.693 561 S CA -0.762 57.431 58.200 -0.012 0.000 1.251 561 S CB 0.608 63.801 63.200 -0.012 0.000 1.153 561 S HN 0.682 nan 8.310 nan 0.000 0.439 562 E N 2.674 122.864 120.200 -0.017 0.000 3.381 562 E HA 0.628 4.982 4.350 0.008 0.000 0.509 562 E C 1.647 178.228 176.600 -0.031 0.000 0.319 562 E CA 0.815 57.201 56.400 -0.024 0.000 3.013 562 E CB -0.660 29.027 29.700 -0.022 0.000 2.197 562 E HN 1.075 nan 8.360 nan 0.000 0.410 563 A N -0.797 122.000 122.820 -0.038 0.000 3.408 563 A HA -0.199 4.126 4.320 0.008 0.000 0.269 563 A C 1.244 178.794 177.584 -0.056 0.000 1.124 563 A CA 1.307 53.316 52.037 -0.047 0.000 0.999 563 A CB -2.499 16.481 19.000 -0.034 0.000 1.067 563 A HN 0.477 nan 8.150 nan 0.000 0.815 564 G N -1.110 107.657 108.800 -0.054 0.000 2.593 564 G HA2 0.362 4.326 3.960 0.008 0.000 0.279 564 G HA3 0.362 4.326 3.960 0.008 0.000 0.279 564 G C 0.013 174.863 174.900 -0.083 0.000 1.329 564 G CA 0.474 45.542 45.100 -0.054 0.000 1.036 564 G HN 0.866 nan 8.290 nan 0.000 0.555 565 E N -1.862 118.298 120.200 -0.068 0.000 2.320 565 E HA 0.315 4.670 4.350 0.008 0.000 0.264 565 E C -0.877 175.704 176.600 -0.032 0.000 0.923 565 E CA -0.822 55.524 56.400 -0.089 0.000 0.796 565 E CB 1.348 31.024 29.700 -0.039 0.000 1.262 565 E HN 0.447 nan 8.360 nan 0.000 0.428 566 Y N 1.250 121.542 120.300 -0.014 0.000 2.805 566 Y HA -0.031 4.523 4.550 0.007 0.000 0.337 566 Y C 0.424 176.280 175.900 -0.072 0.000 1.252 566 Y CA 0.552 58.632 58.100 -0.032 0.000 1.515 566 Y CB 0.529 39.016 38.460 0.044 0.000 1.305 566 Y HN 0.355 nan 8.280 nan 0.000 0.600 567 D N 4.069 124.506 120.400 0.061 0.000 2.333 567 D HA 0.118 4.763 4.640 0.008 0.000 0.225 567 D C -0.492 175.687 176.300 -0.203 0.000 1.345 567 D CA -0.299 53.660 54.000 -0.069 0.000 0.971 567 D CB 0.660 41.441 40.800 -0.032 0.000 1.451 567 D HN 0.518 nan 8.370 nan 0.000 0.561 568 L N 1.995 122.947 121.223 -0.452 0.000 2.591 568 L HA 0.216 4.561 4.340 0.008 0.000 0.228 568 L C 0.471 177.159 176.870 -0.304 0.000 1.133 568 L CA -0.068 54.418 54.840 -0.590 0.000 0.880 568 L CB -0.488 40.868 42.059 -1.172 0.000 1.033 568 L HN 0.101 nan 8.230 nan 0.000 0.450 569 N N 0.697 119.333 118.700 -0.107 0.000 2.518 569 N HA 0.003 4.747 4.740 0.008 0.000 0.266 569 N C -0.037 175.460 175.510 -0.022 0.000 1.196 569 N CA -0.054 53.052 53.050 0.093 0.000 0.947 569 N CB 0.253 38.804 38.487 0.106 0.000 1.098 569 N HN 0.032 nan 8.380 nan 0.000 0.450 570 D N 1.068 121.455 120.400 -0.023 0.000 2.692 570 D HA -0.219 4.425 4.640 0.008 0.000 0.233 570 D C 0.948 177.008 176.300 -0.399 0.000 1.172 570 D CA 0.617 54.419 54.000 -0.330 0.000 0.636 570 D CB -0.595 40.040 40.800 -0.275 0.000 1.028 570 D HN 0.680 nan 8.370 nan 0.000 0.419 571 M N -1.941 117.526 119.600 -0.221 0.000 2.447 571 M HA -0.094 4.391 4.480 0.008 0.000 0.264 571 M C 2.056 178.270 176.300 -0.143 0.000 1.095 571 M CA 0.604 55.808 55.300 -0.160 0.000 1.125 571 M CB -0.417 32.123 32.600 -0.100 0.000 1.389 571 M HN 0.131 nan 8.290 nan 0.000 0.459 572 Y N 0.631 120.907 120.300 -0.041 0.000 2.569 572 Y HA 0.147 4.701 4.550 0.007 0.000 0.293 572 Y C 1.569 177.458 175.900 -0.019 0.000 1.144 572 Y CA 0.685 58.760 58.100 -0.042 0.000 1.321 572 Y CB -1.020 37.407 38.460 -0.054 0.000 0.982 572 Y HN 0.224 nan 8.280 nan 0.000 0.558 573 K N 0.699 120.830 120.400 -0.448 0.000 2.305 573 K HA 0.095 4.420 4.320 0.008 0.000 0.199 573 K C 1.651 178.186 176.600 -0.108 0.000 1.047 573 K CA 0.600 56.737 56.287 -0.251 0.000 0.976 573 K CB -0.007 32.287 32.500 -0.343 0.000 0.765 573 K HN 0.384 nan 8.250 nan 0.000 0.474 574 R N 1.397 121.834 120.500 -0.106 0.000 2.310 574 R HA 0.048 4.393 4.340 0.008 0.000 0.202 574 R C 0.632 176.932 176.300 0.000 0.000 0.933 574 R CA 0.054 56.123 56.100 -0.052 0.000 1.054 574 R CB 0.020 30.281 30.300 -0.064 0.000 0.985 574 R HN 0.079 nan 8.270 nan 0.000 0.489 575 S N 0.813 116.535 115.700 0.037 0.000 2.554 575 S HA 0.053 4.527 4.470 0.008 0.000 0.290 575 S C 0.183 174.865 174.600 0.136 0.000 1.309 575 S CA -0.402 57.867 58.200 0.116 0.000 1.047 575 S CB 1.341 64.629 63.200 0.147 0.000 0.828 575 S HN 0.139 nan 8.310 nan 0.000 0.509 576 S N 2.405 118.214 115.700 0.181 0.000 2.543 576 S HA 0.635 5.110 4.470 0.008 0.000 0.271 576 S C -3.150 171.487 174.600 0.062 0.000 1.148 576 S CA -1.336 56.937 58.200 0.122 0.000 0.914 576 S CB 1.794 65.004 63.200 0.017 0.000 1.096 576 S HN 0.716 nan 8.310 nan 0.000 0.471 577 P HA 0.425 nan 4.420 nan 0.000 0.279 577 P C -0.837 176.229 177.300 -0.390 0.000 1.252 577 P CA -0.610 62.118 63.100 -0.621 0.000 0.811 577 P CB 0.590 31.907 31.700 -0.638 0.000 1.035 578 I N -0.381 119.911 120.570 -0.463 0.000 2.354 578 I HA 0.373 4.547 4.170 0.008 0.000 0.292 578 I C 0.228 176.123 176.117 -0.371 0.000 0.989 578 I CA -0.711 60.388 61.300 -0.334 0.000 1.188 578 I CB 0.397 38.211 38.000 -0.311 0.000 1.342 578 I HN 0.094 nan 8.210 nan 0.000 0.457 579 N N 5.894 124.442 118.700 -0.253 0.000 2.718 579 N HA -0.003 4.742 4.740 0.008 0.000 0.315 579 N C -1.213 174.153 175.510 -0.240 0.000 1.191 579 N CA 0.384 53.329 53.050 -0.175 0.000 1.172 579 N CB -0.451 38.017 38.487 -0.030 0.000 1.441 579 N HN 0.530 nan 8.380 nan 0.000 0.519 580 V N 1.870 121.600 119.914 -0.308 0.000 2.588 580 V HA 0.137 4.261 4.120 0.008 0.000 0.304 580 V C -0.369 175.665 176.094 -0.101 0.000 1.042 580 V CA -1.113 61.017 62.300 -0.284 0.000 0.877 580 V CB 1.985 33.494 31.823 -0.524 0.000 0.996 580 V HN 0.282 nan 8.190 nan 0.000 0.425 581 D N 6.105 126.507 120.400 0.004 0.000 2.506 581 D HA 0.140 4.785 4.640 0.008 0.000 0.234 581 D C -2.139 174.260 176.300 0.164 0.000 1.143 581 D CA -0.438 53.604 54.000 0.071 0.000 0.871 581 D CB 0.624 41.477 40.800 0.089 0.000 1.190 581 D HN 0.315 nan 8.370 nan 0.000 0.459 582 P HA 0.316 nan 4.420 nan 0.000 0.272 582 P C 0.253 177.596 177.300 0.073 0.000 1.254 582 P CA -0.095 63.093 63.100 0.147 0.000 0.795 582 P CB 0.655 32.411 31.700 0.095 0.000 1.022 583 G N -0.712 108.000 108.800 -0.147 0.000 2.566 583 G HA2 0.277 4.242 3.960 0.008 0.000 0.138 583 G HA3 0.277 4.242 3.960 0.008 0.000 0.138 583 G C -1.755 172.876 174.900 -0.448 0.000 1.133 583 G CA -0.196 44.687 45.100 -0.362 0.000 1.037 583 G HN 0.490 nan 8.290 nan 0.000 0.491 584 D N 0.122 120.146 120.400 -0.626 0.000 2.363 584 D HA 0.479 5.124 4.640 0.008 0.000 0.258 584 D C -1.383 174.769 176.300 -0.247 0.000 1.259 584 D CA -0.377 53.475 54.000 -0.247 0.000 0.921 584 D CB 0.082 40.898 40.800 0.027 0.000 1.201 584 D HN 0.320 nan 8.370 nan 0.000 0.524 585 Y N 1.628 122.024 120.300 0.162 0.000 2.323 585 Y HA 0.409 4.963 4.550 0.008 0.000 0.331 585 Y C 1.687 177.746 175.900 0.265 0.000 1.092 585 Y CA -0.930 57.274 58.100 0.173 0.000 1.150 585 Y CB 1.413 39.909 38.460 0.059 0.000 1.200 585 Y HN 0.039 nan 8.280 nan 0.000 0.472 586 R N 1.850 122.615 120.500 0.442 0.000 2.344 586 R HA 0.277 4.622 4.340 0.008 0.000 0.209 586 R C -0.447 176.001 176.300 0.247 0.000 0.886 586 R CA 0.145 56.458 56.100 0.354 0.000 1.040 586 R CB 0.671 31.057 30.300 0.143 0.000 1.114 586 R HN 0.793 nan 8.270 nan 0.000 0.547 587 M N 0.408 120.143 119.600 0.225 0.000 2.413 587 M HA 0.410 4.895 4.480 0.008 0.000 0.287 587 M C -1.983 174.367 176.300 0.082 0.000 1.186 587 M CA -0.609 54.767 55.300 0.126 0.000 0.927 587 M CB 2.406 35.076 32.600 0.116 0.000 1.715 587 M HN -0.155 nan 8.290 nan 0.000 0.478 588 I N 5.983 126.557 120.570 0.006 0.000 2.478 588 I HA 0.512 4.687 4.170 0.008 0.000 0.287 588 I C -1.843 174.234 176.117 -0.066 0.000 1.042 588 I CA -0.680 60.585 61.300 -0.058 0.000 1.067 588 I CB 1.602 39.539 38.000 -0.105 0.000 1.233 588 I HN 0.771 nan 8.210 nan 0.000 0.431 589 I N 9.939 130.460 120.570 -0.082 0.000 2.420 589 I HA 0.326 4.500 4.170 0.008 0.000 0.282 589 I C -2.361 173.655 176.117 -0.168 0.000 1.019 589 I CA -1.742 59.507 61.300 -0.085 0.000 1.130 589 I CB 2.033 40.023 38.000 -0.016 0.000 1.262 589 I HN 0.329 nan 8.210 nan 0.000 0.454 590 P HA 0.328 nan 4.420 nan 0.000 0.281 590 P C -0.898 176.300 177.300 -0.170 0.000 1.252 590 P CA -0.015 62.831 63.100 -0.423 0.000 0.778 590 P CB 1.620 32.815 31.700 -0.842 0.000 0.895 591 L N 1.565 122.719 121.223 -0.114 0.000 2.183 591 L HA 0.365 4.709 4.340 0.008 0.000 0.253 591 L C 2.212 179.076 176.870 -0.009 0.000 1.048 591 L CA -0.797 54.022 54.840 -0.035 0.000 0.890 591 L CB 0.762 42.811 42.059 -0.016 0.000 1.476 591 L HN 0.294 nan 8.230 nan 0.000 0.455 592 E N 0.344 120.550 120.200 0.011 0.000 2.033 592 E HA -0.214 4.140 4.350 0.008 0.000 0.199 592 E C 0.843 177.455 176.600 0.020 0.000 1.011 592 E CA 2.236 58.649 56.400 0.022 0.000 0.815 592 E CB 0.145 29.857 29.700 0.020 0.000 0.755 592 E HN 0.619 nan 8.360 nan 0.000 0.451 593 S N -0.960 114.744 115.700 0.007 0.000 2.855 593 S HA 0.266 4.741 4.470 0.008 0.000 0.249 593 S C -0.335 174.254 174.600 -0.018 0.000 1.033 593 S CA -0.196 58.004 58.200 -0.001 0.000 1.038 593 S CB 0.851 64.045 63.200 -0.010 0.000 0.960 593 S HN 0.245 nan 8.310 nan 0.000 0.548 594 S N 0.826 116.522 115.700 -0.007 0.000 2.625 594 S HA 0.812 5.286 4.470 0.008 0.000 0.271 594 S C -1.523 173.084 174.600 0.013 0.000 1.161 594 S CA -0.940 57.258 58.200 -0.003 0.000 0.820 594 S CB 1.091 64.279 63.200 -0.020 0.000 1.137 594 S HN 0.115 nan 8.310 nan 0.000 0.470 595 I N 1.386 121.993 120.570 0.062 0.000 2.498 595 I HA 0.450 4.624 4.170 0.008 0.000 0.290 595 I C -0.785 175.333 176.117 0.003 0.000 1.032 595 I CA -0.843 60.452 61.300 -0.007 0.000 1.073 595 I CB 1.530 39.520 38.000 -0.017 0.000 1.251 595 I HN 0.702 nan 8.210 nan 0.000 0.426 596 L N 6.230 127.435 121.223 -0.029 0.000 2.307 596 L HA 0.593 4.938 4.340 0.008 0.000 0.282 596 L C -0.407 176.453 176.870 -0.017 0.000 1.051 596 L CA -0.489 54.353 54.840 0.004 0.000 0.804 596 L CB 1.628 43.707 42.059 0.033 0.000 1.197 596 L HN 0.400 nan 8.230 nan 0.000 0.431 597 I N 2.712 123.277 120.570 -0.008 0.000 2.534 597 I HA 0.209 4.384 4.170 0.008 0.000 0.288 597 I C -1.176 175.005 176.117 0.106 0.000 1.077 597 I CA -0.650 60.638 61.300 -0.020 0.000 1.051 597 I CB 2.377 40.238 38.000 -0.232 0.000 1.234 597 I HN 0.454 nan 8.210 nan 0.000 0.425 598 Y N 5.862 126.220 120.300 0.098 0.000 2.425 598 Y HA 0.372 4.927 4.550 0.007 0.000 0.347 598 Y C 0.369 176.423 175.900 0.256 0.000 0.976 598 Y CA 0.197 58.389 58.100 0.155 0.000 1.190 598 Y CB 1.125 39.671 38.460 0.143 0.000 1.136 598 Y HN 0.582 nan 8.280 nan 0.000 0.517 599 S N 4.799 120.614 115.700 0.192 0.000 2.537 599 S HA 0.757 5.232 4.470 0.008 0.000 0.301 599 S C -1.558 173.140 174.600 0.164 0.000 1.092 599 S CA -0.593 57.783 58.200 0.293 0.000 1.048 599 S CB 1.205 64.576 63.200 0.285 0.000 1.053 599 S HN 0.458 nan 8.310 nan 0.000 0.501 600 V N 5.571 125.596 119.914 0.186 0.000 2.409 600 V HA 0.427 4.551 4.120 0.008 0.000 0.290 600 V C -2.421 173.754 176.094 0.135 0.000 1.017 600 V CA -1.763 60.643 62.300 0.177 0.000 0.841 600 V CB 1.218 33.191 31.823 0.249 0.000 1.003 600 V HN 0.771 nan 8.190 nan 0.000 0.426 601 P HA 0.117 nan 4.420 nan 0.000 0.269 601 P C -0.166 177.254 177.300 0.201 0.000 1.209 601 P CA -0.036 63.131 63.100 0.112 0.000 0.776 601 P CB 0.531 32.279 31.700 0.080 0.000 0.876 602 V N 4.865 124.863 119.914 0.141 0.000 2.599 602 V HA 0.102 4.227 4.120 0.008 0.000 0.300 602 V C 0.753 176.944 176.094 0.161 0.000 1.034 602 V CA 0.753 63.123 62.300 0.118 0.000 1.115 602 V CB -0.764 31.083 31.823 0.041 0.000 0.934 602 V HN 0.761 nan 8.190 nan 0.000 0.485 603 H N 2.247 121.342 119.070 0.042 0.000 2.966 603 H HA 0.609 5.169 4.556 0.008 0.000 0.330 603 H C -0.059 175.300 175.328 0.051 0.000 1.292 603 H CA -0.554 55.522 56.048 0.046 0.000 1.127 603 H CB 1.628 31.423 29.762 0.055 0.000 1.863 603 H HN 0.685 nan 8.280 nan 0.000 0.543 604 G N -0.311 108.543 108.800 0.090 0.000 2.539 604 G HA2 0.189 4.153 3.960 0.008 0.000 0.258 604 G HA3 0.189 4.153 3.960 0.008 0.000 0.258 604 G C 0.282 175.263 174.900 0.134 0.000 1.202 604 G CA -0.363 44.774 45.100 0.063 0.000 0.851 604 G HN 0.650 nan 8.290 nan 0.000 0.556 605 E N 0.839 121.104 120.200 0.107 0.000 2.481 605 E HA 0.033 4.387 4.350 0.008 0.000 0.198 605 E C 1.496 178.224 176.600 0.212 0.000 1.027 605 E CA -0.418 56.068 56.400 0.144 0.000 0.900 605 E CB 0.186 29.913 29.700 0.044 0.000 0.993 605 E HN 0.531 nan 8.360 nan 0.000 0.482 606 F N 2.443 122.466 119.950 0.122 0.000 2.043 606 F HA -0.298 4.234 4.527 0.007 0.000 0.297 606 F C 2.250 178.207 175.800 0.261 0.000 1.121 606 F CA 2.134 60.259 58.000 0.209 0.000 1.199 606 F CB -0.244 38.856 39.000 0.167 0.000 0.968 606 F HN 0.034 nan 8.300 nan 0.000 0.478 607 A N -0.086 123.041 122.820 0.511 0.000 1.972 607 A HA -0.029 4.295 4.320 0.008 0.000 0.219 607 A C 2.322 180.014 177.584 0.180 0.000 1.169 607 A CA 1.699 53.946 52.037 0.351 0.000 0.635 607 A CB -1.498 17.659 19.000 0.262 0.000 0.810 607 A HN 0.528 nan 8.150 nan 0.000 0.446 608 A N -1.852 121.066 122.820 0.163 0.000 1.929 608 A HA -0.038 4.287 4.320 0.008 0.000 0.216 608 A C 2.110 179.709 177.584 0.025 0.000 1.176 608 A CA 1.488 53.586 52.037 0.102 0.000 0.628 608 A CB -0.665 18.424 19.000 0.149 0.000 0.816 608 A HN 0.655 nan 8.150 nan 0.000 0.444 609 Y N -1.282 118.906 120.300 -0.186 0.000 2.263 609 Y HA -0.108 4.446 4.550 0.008 0.000 0.292 609 Y C 1.812 177.369 175.900 -0.572 0.000 1.130 609 Y CA 1.613 59.461 58.100 -0.421 0.000 1.179 609 Y CB -0.123 37.950 38.460 -0.645 0.000 0.998 609 Y HN 0.409 nan 8.280 nan 0.000 0.532 610 Y N -1.096 119.094 120.300 -0.183 0.000 2.347 610 Y HA -0.003 4.552 4.550 0.007 0.000 0.274 610 Y C 2.361 178.177 175.900 -0.140 0.000 1.124 610 Y CA 0.498 58.451 58.100 -0.246 0.000 1.208 610 Y CB -0.646 37.609 38.460 -0.341 0.000 1.142 610 Y HN -0.200 nan 8.280 nan 0.000 0.506 611 Q N 0.359 120.231 119.800 0.119 0.000 2.364 611 Q HA 0.007 4.351 4.340 0.008 0.000 0.209 611 Q C 1.469 177.492 176.000 0.037 0.000 0.977 611 Q CA 1.042 56.893 55.803 0.081 0.000 0.885 611 Q CB -0.251 28.559 28.738 0.120 0.000 0.941 611 Q HN 0.758 nan 8.270 nan 0.000 0.464 612 G N 0.609 109.417 108.800 0.013 0.000 2.155 612 G HA2 -0.339 3.625 3.960 0.008 0.000 0.257 612 G HA3 -0.339 3.625 3.960 0.008 0.000 0.257 612 G C 0.280 175.197 174.900 0.029 0.000 0.983 612 G CA -0.022 45.078 45.100 0.001 0.000 0.676 612 G HN 0.645 nan 8.290 nan 0.000 0.528 613 A N 1.123 123.975 122.820 0.052 0.000 2.587 613 A HA 0.497 4.822 4.320 0.008 0.000 0.235 613 A C -0.400 177.211 177.584 0.046 0.000 1.044 613 A CA 0.374 52.443 52.037 0.054 0.000 0.754 613 A CB 0.135 19.179 19.000 0.074 0.000 0.968 613 A HN 0.484 nan 8.150 nan 0.000 0.509 614 P HA 0.161 nan 4.420 nan 0.000 0.274 614 P C -0.432 176.873 177.300 0.008 0.000 1.231 614 P CA -0.336 62.785 63.100 0.036 0.000 0.790 614 P CB 0.709 32.435 31.700 0.044 0.000 0.951 615 E N 1.340 121.544 120.200 0.006 0.000 2.290 615 E HA 0.091 4.445 4.350 0.008 0.000 0.277 615 E C -0.231 176.356 176.600 -0.022 0.000 1.035 615 E CA -0.342 56.016 56.400 -0.070 0.000 0.873 615 E CB 0.444 30.144 29.700 0.000 0.000 1.029 615 E HN 0.229 nan 8.360 nan 0.000 0.419 616 K N 2.356 122.696 120.400 -0.099 0.000 2.276 616 K HA 0.327 4.652 4.320 0.008 0.000 0.285 616 K C -0.047 176.574 176.600 0.034 0.000 1.062 616 K CA -0.351 55.926 56.287 -0.017 0.000 0.918 616 K CB 1.529 34.001 32.500 -0.047 0.000 1.055 616 K HN 0.551 nan 8.250 nan 0.000 0.477 617 G N 0.868 109.722 108.800 0.091 0.000 3.013 617 G HA2 0.678 4.642 3.960 0.008 0.000 0.278 617 G HA3 0.678 4.642 3.960 0.008 0.000 0.278 617 G C -1.473 173.279 174.900 -0.247 0.000 1.353 617 G CA -0.516 44.579 45.100 -0.010 0.000 1.043 617 G HN 0.428 nan 8.290 nan 0.000 0.523 618 V N -0.775 118.842 119.914 -0.494 0.000 3.077 618 V HA 0.621 4.745 4.120 0.008 0.000 0.299 618 V C -1.773 174.065 176.094 -0.426 0.000 1.276 618 V CA -0.870 61.226 62.300 -0.341 0.000 0.993 618 V CB 2.023 33.755 31.823 -0.152 0.000 1.076 618 V HN 0.799 nan 8.190 nan 0.000 0.434 619 L N 6.523 127.597 121.223 -0.248 0.000 2.268 619 L HA 0.588 4.933 4.340 0.008 0.000 0.289 619 L C -0.579 176.264 176.870 -0.045 0.000 1.064 619 L CA 0.330 55.099 54.840 -0.117 0.000 0.824 619 L CB 0.443 42.514 42.059 0.020 0.000 1.202 619 L HN 0.661 nan 8.230 nan 0.000 0.433 620 L N 4.698 125.909 121.223 -0.020 0.000 2.360 620 L HA 0.526 4.871 4.340 0.008 0.000 0.271 620 L C -0.050 176.831 176.870 0.017 0.000 1.057 620 L CA -0.682 54.160 54.840 0.004 0.000 0.803 620 L CB 1.430 43.501 42.059 0.019 0.000 1.207 620 L HN 0.555 nan 8.230 nan 0.000 0.445 621 K N 1.941 122.356 120.400 0.026 0.000 2.345 621 K HA 0.326 4.650 4.320 0.008 0.000 0.255 621 K C -1.793 174.847 176.600 0.067 0.000 0.934 621 K CA -0.586 55.722 56.287 0.036 0.000 0.801 621 K CB 1.579 34.088 32.500 0.015 0.000 1.137 621 K HN 0.468 nan 8.250 nan 0.000 0.424 622 Y N 3.786 124.048 120.300 -0.063 0.000 2.328 622 Y HA 0.221 4.776 4.550 0.008 0.000 0.333 622 Y C -0.832 175.038 175.900 -0.050 0.000 0.958 622 Y CA -0.795 57.267 58.100 -0.064 0.000 1.167 622 Y CB 1.199 39.602 38.460 -0.095 0.000 1.151 622 Y HN 0.629 nan 8.280 nan 0.000 0.470 623 D N 5.982 126.070 120.400 -0.520 0.000 2.325 623 D HA 0.035 4.679 4.640 0.008 0.000 0.251 623 D C 1.366 177.281 176.300 -0.642 0.000 1.196 623 D CA 0.185 53.939 54.000 -0.409 0.000 0.866 623 D CB 1.643 42.281 40.800 -0.270 0.000 1.101 623 D HN 0.683 nan 8.370 nan 0.000 0.476 624 V N 3.391 123.108 119.914 -0.327 0.000 2.392 624 V HA -0.192 3.932 4.120 0.008 0.000 0.249 624 V C 2.076 178.075 176.094 -0.158 0.000 1.059 624 V CA 1.009 63.206 62.300 -0.171 0.000 1.051 624 V CB -0.427 31.410 31.823 0.024 0.000 0.658 624 V HN 0.345 nan 8.190 nan 0.000 0.455 625 K N 1.295 121.611 120.400 -0.140 0.000 1.973 625 K HA -0.088 4.236 4.320 0.008 0.000 0.210 625 K C 2.552 179.082 176.600 -0.117 0.000 1.045 625 K CA 2.362 58.592 56.287 -0.096 0.000 0.937 625 K CB -1.063 31.395 32.500 -0.071 0.000 0.721 625 K HN 0.774 nan 8.250 nan 0.000 0.438 626 T N -1.241 113.221 114.554 -0.154 0.000 3.055 626 T HA -0.007 4.347 4.350 0.008 0.000 0.265 626 T C 0.741 175.339 174.700 -0.170 0.000 1.111 626 T CA 0.289 62.308 62.100 -0.135 0.000 1.118 626 T CB -0.026 68.769 68.868 -0.121 0.000 0.909 626 T HN 0.267 nan 8.240 nan 0.000 0.501 627 R N 0.167 120.473 120.500 -0.324 0.000 4.000 627 R HA -0.140 4.204 4.340 0.008 0.000 0.362 627 R C 0.150 176.306 176.300 -0.241 0.000 1.183 627 R CA 1.093 56.964 56.100 -0.383 0.000 1.011 627 R CB -1.994 28.279 30.300 -0.045 0.000 1.501 627 R HN 0.608 nan 8.270 nan 0.000 0.553 628 K N 1.495 121.752 120.400 -0.240 0.000 2.144 628 K HA 0.404 4.729 4.320 0.008 0.000 0.270 628 K C -0.234 176.314 176.600 -0.087 0.000 1.005 628 K CA -0.336 55.887 56.287 -0.107 0.000 0.932 628 K CB 1.249 33.697 32.500 -0.086 0.000 1.021 628 K HN -0.077 nan 8.250 nan 0.000 0.462 629 V N 2.889 122.808 119.914 0.009 0.000 2.513 629 V HA 0.414 4.539 4.120 0.008 0.000 0.299 629 V C -0.220 175.885 176.094 0.018 0.000 1.035 629 V CA -0.562 61.767 62.300 0.047 0.000 0.889 629 V CB 1.680 33.564 31.823 0.102 0.000 0.988 629 V HN 1.096 nan 8.190 nan 0.000 0.440 630 T N 0.432 114.993 114.554 0.011 0.000 2.841 630 T HA 0.594 4.949 4.350 0.008 0.000 0.296 630 T C -0.907 173.791 174.700 -0.003 0.000 1.166 630 T CA -0.813 61.286 62.100 -0.002 0.000 1.007 630 T CB 2.168 71.026 68.868 -0.016 0.000 1.253 630 T HN 0.607 nan 8.240 nan 0.000 0.511 631 E N 0.387 120.577 120.200 -0.016 0.000 2.109 631 E HA 0.479 4.834 4.350 0.008 0.000 0.278 631 E C 0.194 176.766 176.600 -0.046 0.000 0.954 631 E CA -0.669 55.713 56.400 -0.030 0.000 0.779 631 E CB 1.156 30.835 29.700 -0.035 0.000 1.093 631 E HN 0.482 nan 8.360 nan 0.000 0.401 632 V N 4.009 123.896 119.914 -0.044 0.000 2.725 632 V HA 0.083 4.207 4.120 0.008 0.000 0.247 632 V C 0.354 176.372 176.094 -0.127 0.000 1.058 632 V CA 0.810 63.075 62.300 -0.058 0.000 1.080 632 V CB -0.018 31.805 31.823 0.000 0.000 0.713 632 V HN 0.529 nan 8.190 nan 0.000 0.465 633 K N 0.645 120.973 120.400 -0.119 0.000 2.589 633 K HA 0.381 4.706 4.320 0.008 0.000 0.265 633 K C -1.283 175.237 176.600 -0.133 0.000 0.935 633 K CA -0.396 55.787 56.287 -0.173 0.000 0.850 633 K CB 1.469 33.839 32.500 -0.217 0.000 1.372 633 K HN 0.274 nan 8.250 nan 0.000 0.420 634 N N 0.871 119.490 118.700 -0.135 0.000 3.091 634 N HA 0.475 5.219 4.740 0.008 0.000 0.329 634 N C -1.026 174.425 175.510 -0.099 0.000 1.430 634 N CA -0.617 52.367 53.050 -0.110 0.000 0.755 634 N CB 0.289 38.723 38.487 -0.089 0.000 1.626 634 N HN 0.663 nan 8.380 nan 0.000 0.614 635 N N -1.900 116.757 118.700 -0.071 0.000 2.735 635 N HA -0.157 4.588 4.740 0.008 0.000 0.248 635 N C -1.300 174.200 175.510 -0.017 0.000 1.083 635 N CA 0.296 53.318 53.050 -0.047 0.000 0.703 635 N CB -1.290 37.158 38.487 -0.064 0.000 1.005 635 N HN 0.396 nan 8.380 nan 0.000 0.550 636 L N -0.111 121.116 121.223 0.007 0.000 2.343 636 L HA 0.423 4.767 4.340 0.008 0.000 0.275 636 L C 1.659 178.641 176.870 0.186 0.000 1.056 636 L CA -0.064 54.839 54.840 0.104 0.000 0.804 636 L CB 1.370 43.507 42.059 0.131 0.000 1.203 636 L HN 0.279 nan 8.230 nan 0.000 0.440 637 T N -3.791 110.887 114.554 0.208 0.000 3.058 637 T HA 0.238 4.593 4.350 0.008 0.000 0.278 637 T C -0.185 174.642 174.700 0.212 0.000 0.974 637 T CA -0.250 61.965 62.100 0.192 0.000 0.893 637 T CB 0.319 69.255 68.868 0.113 0.000 1.138 637 T HN 0.553 nan 8.240 nan 0.000 0.529 638 D N -0.300 120.262 120.400 0.271 0.000 2.722 638 D HA 0.489 5.134 4.640 0.008 0.000 0.231 638 D C -2.060 174.442 176.300 0.338 0.000 1.218 638 D CA -0.527 53.627 54.000 0.257 0.000 0.753 638 D CB 1.740 42.756 40.800 0.360 0.000 1.471 638 D HN 0.299 nan 8.370 nan 0.000 0.455 639 L N 1.667 123.042 121.223 0.253 0.000 2.466 639 L HA 0.779 5.123 4.340 0.008 0.000 0.258 639 L C -1.557 175.412 176.870 0.165 0.000 0.973 639 L CA -0.545 54.462 54.840 0.277 0.000 0.826 639 L CB 1.665 43.931 42.059 0.347 0.000 1.372 639 L HN 0.348 nan 8.230 nan 0.000 0.409 640 R N 3.470 124.065 120.500 0.159 0.000 2.651 640 R HA 0.599 4.944 4.340 0.008 0.000 0.278 640 R C -1.816 174.512 176.300 0.048 0.000 1.010 640 R CA -0.771 55.366 56.100 0.062 0.000 0.896 640 R CB 2.201 32.512 30.300 0.019 0.000 1.211 640 R HN 0.532 nan 8.270 nan 0.000 0.456 641 L N 1.161 122.398 121.223 0.025 0.000 2.334 641 L HA 0.465 4.810 4.340 0.008 0.000 0.276 641 L C 0.477 177.358 176.870 0.018 0.000 1.014 641 L CA -0.109 54.739 54.840 0.013 0.000 0.815 641 L CB 1.881 43.952 42.059 0.020 0.000 1.268 641 L HN 0.854 nan 8.230 nan 0.000 0.428 642 S N 2.884 118.593 115.700 0.015 0.000 2.634 642 S HA 0.411 4.886 4.470 0.008 0.000 0.254 642 S C 1.198 175.820 174.600 0.036 0.000 1.299 642 S CA 0.070 58.288 58.200 0.029 0.000 0.974 642 S CB 0.536 63.752 63.200 0.027 0.000 1.001 642 S HN 0.881 nan 8.310 nan 0.000 0.584 643 A N 1.074 123.919 122.820 0.042 0.000 1.854 643 A HA -0.029 4.296 4.320 0.008 0.000 0.214 643 A C 1.601 179.212 177.584 0.045 0.000 1.192 643 A CA 1.518 53.582 52.037 0.045 0.000 0.611 643 A CB -1.549 17.476 19.000 0.043 0.000 0.832 643 A HN 0.979 nan 8.150 nan 0.000 0.442 644 D N -1.529 118.895 120.400 0.040 0.000 2.371 644 D HA -0.030 4.614 4.640 0.008 0.000 0.234 644 D C 0.781 177.103 176.300 0.036 0.000 1.049 644 D CA 0.271 54.294 54.000 0.038 0.000 0.907 644 D CB -0.547 40.274 40.800 0.035 0.000 0.891 644 D HN 0.448 nan 8.370 nan 0.000 0.531 645 R N -1.175 119.346 120.500 0.034 0.000 3.989 645 R HA -0.266 4.078 4.340 0.008 0.000 0.335 645 R C 0.694 177.006 176.300 0.020 0.000 1.223 645 R CA 1.382 57.499 56.100 0.028 0.000 0.962 645 R CB -1.374 28.946 30.300 0.034 0.000 1.393 645 R HN 0.386 nan 8.270 nan 0.000 0.554 646 K N -0.479 119.932 120.400 0.018 0.000 2.313 646 K HA 0.072 4.397 4.320 0.008 0.000 0.197 646 K C 0.415 177.013 176.600 -0.004 0.000 1.061 646 K CA 0.850 57.147 56.287 0.016 0.000 0.980 646 K CB 0.628 33.143 32.500 0.025 0.000 0.888 646 K HN 0.052 nan 8.250 nan 0.000 0.502 647 T N 1.763 116.307 114.554 -0.016 0.000 2.795 647 T HA 0.368 4.723 4.350 0.008 0.000 0.282 647 T C -0.380 174.248 174.700 -0.120 0.000 0.980 647 T CA -0.602 61.467 62.100 -0.052 0.000 1.012 647 T CB 2.196 71.057 68.868 -0.012 0.000 0.936 647 T HN -0.257 nan 8.240 nan 0.000 0.457 648 V N 4.060 123.801 119.914 -0.288 0.000 2.495 648 V HA 0.555 4.679 4.120 0.008 0.000 0.298 648 V C -0.276 175.587 176.094 -0.384 0.000 1.031 648 V CA -0.876 61.161 62.300 -0.439 0.000 0.871 648 V CB 1.715 32.971 31.823 -0.945 0.000 0.988 648 V HN 0.920 nan 8.190 nan 0.000 0.432 649 M N 6.620 126.155 119.600 -0.108 0.000 2.190 649 M HA 0.759 5.244 4.480 0.008 0.000 0.312 649 M C -1.083 175.342 176.300 0.209 0.000 0.990 649 M CA -0.469 54.881 55.300 0.084 0.000 0.927 649 M CB 1.514 34.244 32.600 0.217 0.000 1.571 649 M HN 0.674 nan 8.290 nan 0.000 0.427 650 V N 1.987 122.035 119.914 0.224 0.000 3.158 650 V HA 0.824 4.948 4.120 0.008 0.000 0.311 650 V C -1.394 174.778 176.094 0.130 0.000 1.181 650 V CA -1.021 61.441 62.300 0.271 0.000 1.054 650 V CB 2.122 34.146 31.823 0.335 0.000 1.085 650 V HN 0.978 nan 8.190 nan 0.000 0.446 651 R N 1.063 121.634 120.500 0.118 0.000 2.513 651 R HA 0.629 4.973 4.340 0.008 0.000 0.301 651 R C -0.580 175.788 176.300 0.113 0.000 0.968 651 R CA -0.430 55.675 56.100 0.008 0.000 0.872 651 R CB 1.789 32.035 30.300 -0.089 0.000 1.177 651 R HN 0.919 nan 8.270 nan 0.000 0.444 652 K N 1.818 122.298 120.400 0.133 0.000 2.210 652 K HA 0.146 4.470 4.320 0.008 0.000 0.236 652 K C 0.212 176.851 176.600 0.065 0.000 1.016 652 K CA -0.589 55.744 56.287 0.078 0.000 0.913 652 K CB 0.906 33.408 32.500 0.004 0.000 1.141 652 K HN 0.773 nan 8.250 nan 0.000 0.462 653 D N 0.563 120.985 120.400 0.037 0.000 2.263 653 D HA -0.198 4.447 4.640 0.008 0.000 0.208 653 D C 0.837 177.154 176.300 0.029 0.000 0.971 653 D CA 1.303 55.320 54.000 0.029 0.000 0.867 653 D CB -0.306 40.502 40.800 0.013 0.000 0.929 653 D HN 0.599 nan 8.370 nan 0.000 0.492 654 D N -0.794 119.632 120.400 0.043 0.000 2.363 654 D HA 0.089 4.734 4.640 0.008 0.000 0.226 654 D C 1.800 178.116 176.300 0.027 0.000 1.020 654 D CA 0.924 54.948 54.000 0.040 0.000 0.892 654 D CB -0.393 40.447 40.800 0.067 0.000 0.900 654 D HN 0.394 nan 8.370 nan 0.000 0.531 655 G N -0.290 108.526 108.800 0.027 0.000 2.199 655 G HA2 -0.311 3.653 3.960 0.008 0.000 0.254 655 G HA3 -0.311 3.653 3.960 0.008 0.000 0.254 655 G C 0.274 175.141 174.900 -0.055 0.000 0.982 655 G CA 0.232 45.323 45.100 -0.015 0.000 0.632 655 G HN 0.486 nan 8.290 nan 0.000 0.529 656 K N -0.139 120.253 120.400 -0.013 0.000 2.126 656 K HA 0.622 4.947 4.320 0.008 0.000 0.257 656 K C 0.008 176.500 176.600 -0.180 0.000 1.007 656 K CA -0.556 55.640 56.287 -0.151 0.000 0.928 656 K CB 1.055 33.410 32.500 -0.243 0.000 1.013 656 K HN 0.169 nan 8.250 nan 0.000 0.473 657 I N 2.139 122.476 120.570 -0.389 0.000 2.392 657 I HA 0.235 4.410 4.170 0.008 0.000 0.295 657 I C -0.734 175.177 176.117 -0.344 0.000 0.985 657 I CA -0.337 60.759 61.300 -0.340 0.000 1.221 657 I CB 0.543 38.269 38.000 -0.457 0.000 1.366 657 I HN 0.380 nan 8.210 nan 0.000 0.467 658 Y N 2.329 122.597 120.300 -0.053 0.000 2.602 658 Y HA 0.708 5.262 4.550 0.007 0.000 0.342 658 Y C 0.188 176.146 175.900 0.098 0.000 1.029 658 Y CA -1.065 57.066 58.100 0.052 0.000 1.080 658 Y CB 2.235 40.766 38.460 0.118 0.000 1.284 658 Y HN 0.406 nan 8.280 nan 0.000 0.485 659 T N 2.802 117.541 114.554 0.308 0.000 2.991 659 T HA 0.690 5.045 4.350 0.008 0.000 0.303 659 T C -1.853 172.988 174.700 0.234 0.000 1.015 659 T CA -0.554 61.641 62.100 0.158 0.000 1.007 659 T CB -0.047 68.873 68.868 0.087 0.000 1.034 659 T HN 0.476 nan 8.240 nan 0.000 0.446 660 F N 2.707 122.716 119.950 0.098 0.000 2.601 660 F HA 0.833 5.364 4.527 0.007 0.000 0.309 660 F C -3.235 172.603 175.800 0.064 0.000 1.089 660 F CA -3.012 55.031 58.000 0.072 0.000 0.940 660 F CB 0.571 39.605 39.000 0.056 0.000 1.273 660 F HN 0.232 nan 8.300 nan 0.000 0.450 661 P HA 0.075 nan 4.420 nan 0.000 0.271 661 P C 0.708 178.102 177.300 0.157 0.000 1.216 661 P CA -0.267 62.889 63.100 0.093 0.000 0.771 661 P CB 0.986 32.745 31.700 0.099 0.000 0.864 662 L N 4.912 126.178 121.223 0.072 0.000 2.127 662 L HA -0.204 4.140 4.340 0.008 0.000 0.211 662 L C 1.926 178.869 176.870 0.123 0.000 1.089 662 L CA 1.907 56.813 54.840 0.110 0.000 0.757 662 L CB -1.214 40.874 42.059 0.049 0.000 0.899 662 L HN 0.475 nan 8.230 nan 0.000 0.434 663 E N -0.909 119.345 120.200 0.091 0.000 2.047 663 E HA -0.153 4.201 4.350 0.008 0.000 0.191 663 E C 0.205 176.852 176.600 0.078 0.000 0.987 663 E CA 0.947 57.389 56.400 0.070 0.000 0.799 663 E CB -0.242 29.490 29.700 0.053 0.000 0.752 663 E HN 0.205 nan 8.360 nan 0.000 0.449 664 K N 1.463 121.923 120.400 0.100 0.000 2.682 664 K HA 0.203 4.528 4.320 0.008 0.000 0.189 664 K C -2.133 174.543 176.600 0.126 0.000 1.062 664 K CA -2.094 54.245 56.287 0.087 0.000 0.997 664 K CB 1.550 34.089 32.500 0.065 0.000 1.405 664 K HN 0.100 nan 8.250 nan 0.000 0.588 665 P HA -0.169 nan 4.420 nan 0.000 0.236 665 P C 0.866 178.082 177.300 -0.140 0.000 1.172 665 P CA 0.881 64.014 63.100 0.054 0.000 0.759 665 P CB 0.451 32.115 31.700 -0.060 0.000 0.843 666 E N 0.638 120.811 120.200 -0.046 0.000 2.216 666 E HA -0.086 4.269 4.350 0.008 0.000 0.192 666 E C 0.055 176.642 176.600 -0.022 0.000 0.988 666 E CA 0.460 56.824 56.400 -0.060 0.000 0.834 666 E CB -0.095 29.587 29.700 -0.030 0.000 0.772 666 E HN 0.154 nan 8.360 nan 0.000 0.479 667 D N 2.638 123.062 120.400 0.040 0.000 2.767 667 D HA 0.039 4.684 4.640 0.008 0.000 0.241 667 D C -0.582 175.801 176.300 0.139 0.000 1.187 667 D CA 0.021 54.066 54.000 0.075 0.000 0.999 667 D CB 0.192 41.039 40.800 0.078 0.000 1.042 667 D HN 0.404 nan 8.370 nan 0.000 0.510 668 E N 0.089 120.367 120.200 0.130 0.000 2.283 668 E HA 0.630 4.985 4.350 0.008 0.000 0.271 668 E C -0.315 176.409 176.600 0.207 0.000 1.031 668 E CA -0.826 55.717 56.400 0.238 0.000 0.868 668 E CB 1.638 31.464 29.700 0.210 0.000 1.094 668 E HN -0.039 nan 8.360 nan 0.000 0.401 669 R N 0.648 121.286 120.500 0.229 0.000 2.854 669 R HA 0.413 4.757 4.340 0.008 0.000 0.271 669 R C -0.880 175.500 176.300 0.133 0.000 0.996 669 R CA -0.764 55.429 56.100 0.155 0.000 0.961 669 R CB 2.176 32.534 30.300 0.098 0.000 1.182 669 R HN 0.509 nan 8.270 nan 0.000 0.479 670 T N 1.199 115.753 114.554 -0.001 0.000 2.806 670 T HA 0.243 4.598 4.350 0.008 0.000 0.290 670 T C -0.110 174.468 174.700 -0.204 0.000 0.966 670 T CA -0.623 61.321 62.100 -0.261 0.000 1.060 670 T CB 1.020 69.715 68.868 -0.288 0.000 0.927 670 T HN 0.132 nan 8.240 nan 0.000 0.485 671 V N 4.641 124.397 119.914 -0.263 0.000 2.455 671 V HA 0.204 4.328 4.120 0.008 0.000 0.273 671 V C 0.395 176.367 176.094 -0.204 0.000 1.045 671 V CA -0.353 61.841 62.300 -0.177 0.000 0.976 671 V CB 0.535 32.258 31.823 -0.166 0.000 0.993 671 V HN 0.754 nan 8.190 nan 0.000 0.475 672 E N 3.195 123.310 120.200 -0.142 0.000 2.179 672 E HA 0.456 4.811 4.350 0.008 0.000 0.275 672 E C 0.604 177.124 176.600 -0.132 0.000 0.945 672 E CA -0.113 56.201 56.400 -0.143 0.000 0.792 672 E CB 2.061 31.698 29.700 -0.105 0.000 1.125 672 E HN 0.836 nan 8.360 nan 0.000 0.397 673 T N -2.286 112.166 114.554 -0.171 0.000 3.041 673 T HA 0.095 4.449 4.350 0.008 0.000 0.276 673 T C 0.264 174.892 174.700 -0.121 0.000 0.948 673 T CA -0.315 61.688 62.100 -0.162 0.000 0.885 673 T CB 0.141 68.781 68.868 -0.381 0.000 1.175 673 T HN 0.059 nan 8.240 nan 0.000 0.529 674 D N 1.571 121.901 120.400 -0.116 0.000 2.325 674 D HA 0.193 4.837 4.640 0.008 0.000 0.234 674 D C 1.629 177.887 176.300 -0.070 0.000 1.122 674 D CA 0.018 53.966 54.000 -0.086 0.000 0.850 674 D CB 0.307 41.057 40.800 -0.083 0.000 0.921 674 D HN 0.249 nan 8.370 nan 0.000 0.513 675 K N 0.317 120.674 120.400 -0.072 0.000 2.031 675 K HA 0.011 4.335 4.320 0.008 0.000 0.205 675 K C 1.136 177.700 176.600 -0.059 0.000 1.049 675 K CA 0.417 56.665 56.287 -0.065 0.000 0.939 675 K CB 0.297 32.754 32.500 -0.071 0.000 0.717 675 K HN 0.081 nan 8.250 nan 0.000 0.438 676 R N 1.935 122.396 120.500 -0.065 0.000 2.229 676 R HA 0.215 4.560 4.340 0.008 0.000 0.328 676 R C -2.444 173.817 176.300 -0.064 0.000 1.009 676 R CA -1.882 54.183 56.100 -0.058 0.000 0.864 676 R CB 1.015 31.280 30.300 -0.059 0.000 1.085 676 R HN -0.099 nan 8.270 nan 0.000 0.453 677 P HA -0.016 nan 4.420 nan 0.000 0.270 677 P C -0.944 176.344 177.300 -0.021 0.000 1.223 677 P CA -0.425 62.661 63.100 -0.023 0.000 0.785 677 P CB 0.503 32.197 31.700 -0.010 0.000 0.923 678 L N 2.960 124.182 121.223 -0.001 0.000 2.276 678 L HA 0.274 4.619 4.340 0.008 0.000 0.286 678 L C -0.751 176.132 176.870 0.021 0.000 1.061 678 L CA -0.125 54.729 54.840 0.024 0.000 0.807 678 L CB 0.922 43.010 42.059 0.048 0.000 1.177 678 L HN 0.057 nan 8.230 nan 0.000 0.429 679 V N 4.160 124.097 119.914 0.038 0.000 2.417 679 V HA 0.833 4.957 4.120 0.008 0.000 0.291 679 V C -0.055 176.028 176.094 -0.019 0.000 1.024 679 V CA -0.314 61.989 62.300 0.005 0.000 0.861 679 V CB 1.376 33.205 31.823 0.010 0.000 0.985 679 V HN 0.916 nan 8.190 nan 0.000 0.436 680 S N 2.541 118.209 115.700 -0.053 0.000 2.656 680 S HA 0.717 5.191 4.470 0.008 0.000 0.273 680 S C -0.685 173.851 174.600 -0.108 0.000 1.168 680 S CA -0.552 57.596 58.200 -0.087 0.000 0.817 680 S CB 1.993 65.124 63.200 -0.114 0.000 1.146 680 S HN 0.947 nan 8.310 nan 0.000 0.475 681 S N 0.363 115.975 115.700 -0.147 0.000 2.456 681 S HA 0.508 4.983 4.470 0.008 0.000 0.316 681 S C 1.045 175.485 174.600 -0.267 0.000 1.089 681 S CA -0.990 57.107 58.200 -0.171 0.000 1.101 681 S CB -0.109 62.970 63.200 -0.203 0.000 0.995 681 S HN 0.658 nan 8.310 nan 0.000 0.468 682 I N 4.105 124.511 120.570 -0.274 0.000 2.091 682 I HA -0.249 3.925 4.170 0.008 0.000 0.239 682 I C 2.717 178.480 176.117 -0.589 0.000 1.061 682 I CA 1.884 62.857 61.300 -0.544 0.000 1.317 682 I CB -0.661 37.001 38.000 -0.564 0.000 1.031 682 I HN 0.876 nan 8.210 nan 0.000 0.401 683 H N 1.885 120.753 119.070 -0.336 0.000 2.387 683 H HA -0.200 4.361 4.556 0.008 0.000 0.299 683 H C 1.846 177.150 175.328 -0.039 0.000 1.090 683 H CA 1.851 57.810 56.048 -0.147 0.000 1.332 683 H CB -0.764 28.955 29.762 -0.071 0.000 1.386 683 H HN 0.636 nan 8.280 nan 0.000 0.516 684 E N 1.165 120.878 120.200 -0.812 0.000 2.106 684 E HA -0.141 4.214 4.350 0.008 0.000 0.192 684 E C 1.965 178.468 176.600 -0.163 0.000 0.984 684 E CA 1.013 57.142 56.400 -0.453 0.000 0.806 684 E CB -0.172 29.254 29.700 -0.457 0.000 0.750 684 E HN 0.612 nan 8.360 nan 0.000 0.458 685 E N -0.108 119.999 120.200 -0.156 0.000 2.072 685 E HA -0.117 4.238 4.350 0.008 0.000 0.191 685 E C 1.764 178.476 176.600 0.185 0.000 0.985 685 E CA 0.835 57.222 56.400 -0.022 0.000 0.801 685 E CB -0.134 29.523 29.700 -0.071 0.000 0.750 685 E HN 0.248 nan 8.360 nan 0.000 0.452 686 F N 1.018 120.947 119.950 -0.035 0.000 2.095 686 F HA -0.171 4.360 4.527 0.008 0.000 0.298 686 F C 2.199 178.037 175.800 0.064 0.000 1.104 686 F CA 0.980 58.989 58.000 0.015 0.000 1.232 686 F CB -0.877 38.134 39.000 0.019 0.000 0.987 686 F HN 0.028 nan 8.300 nan 0.000 0.475 687 L N -0.640 120.730 121.223 0.244 0.000 2.046 687 L HA -0.216 4.129 4.340 0.008 0.000 0.208 687 L C 2.660 179.649 176.870 0.199 0.000 1.077 687 L CA 1.249 56.203 54.840 0.189 0.000 0.747 687 L CB -0.658 41.475 42.059 0.123 0.000 0.896 687 L HN 0.163 nan 8.230 nan 0.000 0.432 688 Q N 0.434 120.316 119.800 0.137 0.000 2.020 688 Q HA -0.231 4.114 4.340 0.008 0.000 0.202 688 Q C 2.227 178.302 176.000 0.125 0.000 0.982 688 Q CA 1.974 57.841 55.803 0.106 0.000 0.838 688 Q CB -0.194 28.573 28.738 0.047 0.000 0.899 688 Q HN 0.472 nan 8.270 nan 0.000 0.423 689 M N -0.667 119.014 119.600 0.134 0.000 2.159 689 M HA -0.206 4.278 4.480 0.008 0.000 0.263 689 M C 2.071 178.446 176.300 0.125 0.000 1.063 689 M CA 1.726 57.092 55.300 0.109 0.000 1.110 689 M CB -0.534 32.124 32.600 0.097 0.000 1.374 689 M HN 0.236 nan 8.290 nan 0.000 0.411 690 Y N 1.496 121.839 120.300 0.072 0.000 2.089 690 Y HA -0.287 4.267 4.550 0.007 0.000 0.282 690 Y C 1.914 177.928 175.900 0.190 0.000 1.139 690 Y CA 1.968 60.121 58.100 0.089 0.000 1.123 690 Y CB -0.472 38.012 38.460 0.040 0.000 0.980 690 Y HN 0.200 nan 8.280 nan 0.000 0.493 691 D N 0.258 120.741 120.400 0.139 0.000 2.158 691 D HA -0.221 4.423 4.640 0.008 0.000 0.197 691 D C 2.049 178.455 176.300 0.177 0.000 0.995 691 D CA 1.802 55.904 54.000 0.169 0.000 0.846 691 D CB -0.318 40.632 40.800 0.251 0.000 0.941 691 D HN 0.642 nan 8.370 nan 0.000 0.456 692 E N 0.045 120.311 120.200 0.110 0.000 2.072 692 E HA -0.085 4.270 4.350 0.008 0.000 0.190 692 E C 2.035 178.671 176.600 0.059 0.000 0.982 692 E CA 0.880 57.334 56.400 0.091 0.000 0.803 692 E CB 0.015 29.748 29.700 0.057 0.000 0.755 692 E HN 0.178 nan 8.360 nan 0.000 0.453 693 A N 0.568 123.398 122.820 0.017 0.000 1.908 693 A HA -0.212 4.113 4.320 0.008 0.000 0.218 693 A C 1.910 179.484 177.584 -0.016 0.000 1.181 693 A CA 1.529 53.561 52.037 -0.009 0.000 0.627 693 A CB -1.193 17.797 19.000 -0.016 0.000 0.818 693 A HN 0.686 nan 8.150 nan 0.000 0.445 694 W N 0.679 121.824 121.300 -0.257 0.000 2.381 694 W HA -0.140 4.524 4.660 0.007 0.000 0.301 694 W C 2.186 178.680 176.519 -0.041 0.000 1.205 694 W CA 2.007 59.247 57.345 -0.175 0.000 1.285 694 W CB 0.005 29.280 29.460 -0.307 0.000 1.133 694 W HN 0.260 nan 8.180 nan 0.000 0.521 695 K N 0.165 120.660 120.400 0.157 0.000 2.097 695 K HA -0.173 4.151 4.320 0.008 0.000 0.205 695 K C 2.014 178.510 176.600 -0.174 0.000 1.050 695 K CA 1.625 57.883 56.287 -0.048 0.000 0.938 695 K CB -0.476 32.133 32.500 0.181 0.000 0.718 695 K HN 0.284 nan 8.250 nan 0.000 0.442 696 L N 0.445 121.607 121.223 -0.101 0.000 2.056 696 L HA -0.132 4.213 4.340 0.008 0.000 0.207 696 L C 2.607 179.356 176.870 -0.202 0.000 1.078 696 L CA 1.170 55.948 54.840 -0.103 0.000 0.749 696 L CB -0.521 41.512 42.059 -0.043 0.000 0.901 696 L HN 0.239 nan 8.230 nan 0.000 0.433 697 A N -0.123 122.532 122.820 -0.274 0.000 1.978 697 A HA -0.253 4.072 4.320 0.008 0.000 0.220 697 A C 2.459 179.698 177.584 -0.575 0.000 1.170 697 A CA 1.878 53.639 52.037 -0.461 0.000 0.636 697 A CB -0.544 18.192 19.000 -0.439 0.000 0.810 697 A HN 0.367 nan 8.150 nan 0.000 0.448 698 R N -0.782 119.443 120.500 -0.459 0.000 2.080 698 R HA -0.081 4.264 4.340 0.008 0.000 0.222 698 R C 0.999 177.153 176.300 -0.244 0.000 1.107 698 R CA 1.316 57.203 56.100 -0.354 0.000 0.980 698 R CB -0.202 29.767 30.300 -0.552 0.000 0.879 698 R HN 0.358 nan 8.270 nan 0.000 0.439 699 D N 0.400 120.662 120.400 -0.230 0.000 2.269 699 D HA -0.070 4.574 4.640 0.008 0.000 0.208 699 D C 0.683 176.893 176.300 -0.150 0.000 0.963 699 D CA 0.831 54.736 54.000 -0.158 0.000 0.864 699 D CB 0.012 40.746 40.800 -0.111 0.000 0.936 699 D HN 0.240 nan 8.370 nan 0.000 0.505 700 N N -0.649 117.952 118.700 -0.164 0.000 2.184 700 N HA -0.058 4.686 4.740 0.008 0.000 0.206 700 N C -0.018 175.382 175.510 -0.183 0.000 1.151 700 N CA -0.269 52.681 53.050 -0.167 0.000 0.878 700 N CB 0.335 38.744 38.487 -0.130 0.000 1.014 700 N HN 0.179 nan 8.380 nan 0.000 0.512 701 Y N 2.928 123.043 120.300 -0.307 0.000 2.717 701 Y HA -0.133 4.422 4.550 0.007 0.000 0.330 701 Y C 1.798 177.548 175.900 -0.251 0.000 1.217 701 Y CA -0.524 57.401 58.100 -0.291 0.000 1.506 701 Y CB 0.433 38.688 38.460 -0.343 0.000 1.268 701 Y HN 0.179 nan 8.280 nan 0.000 0.561 702 W N 4.664 125.471 121.300 -0.820 0.000 2.325 702 W HA -0.265 4.400 4.660 0.007 0.000 0.299 702 W C -0.446 175.827 176.519 -0.411 0.000 1.215 702 W CA 1.305 58.286 57.345 -0.606 0.000 1.244 702 W CB -0.713 28.384 29.460 -0.605 0.000 1.140 702 W HN 0.614 nan 8.180 nan 0.000 0.523 703 N N 2.003 119.807 118.700 -1.493 0.000 2.589 703 N HA 0.019 4.764 4.740 0.008 0.000 0.232 703 N C 1.083 176.365 175.510 -0.381 0.000 1.015 703 N CA 0.011 52.415 53.050 -1.077 0.000 0.931 703 N CB 0.761 38.281 38.487 -1.612 0.000 1.150 703 N HN 0.133 nan 8.380 nan 0.000 0.512 704 E N 3.582 123.613 120.200 -0.281 0.000 2.097 704 E HA -0.280 4.074 4.350 0.008 0.000 0.196 704 E C 1.622 178.136 176.600 -0.144 0.000 1.000 704 E CA 1.621 57.918 56.400 -0.171 0.000 0.804 704 E CB 0.027 29.633 29.700 -0.156 0.000 0.740 704 E HN 0.764 nan 8.360 nan 0.000 0.454 705 A N 0.564 123.286 122.820 -0.163 0.000 1.841 705 A HA -0.201 4.123 4.320 0.008 0.000 0.216 705 A C 2.457 179.967 177.584 -0.123 0.000 1.199 705 A CA 1.986 53.947 52.037 -0.128 0.000 0.621 705 A CB -1.050 17.875 19.000 -0.126 0.000 0.835 705 A HN 0.236 nan 8.150 nan 0.000 0.445 706 V N 0.123 119.946 119.914 -0.152 0.000 2.453 706 V HA -0.291 3.834 4.120 0.008 0.000 0.252 706 V C 2.989 178.973 176.094 -0.184 0.000 1.068 706 V CA 1.978 64.182 62.300 -0.160 0.000 1.070 706 V CB -1.570 30.148 31.823 -0.176 0.000 0.664 706 V HN 0.663 nan 8.190 nan 0.000 0.461 707 A N 0.253 122.988 122.820 -0.142 0.000 1.865 707 A HA -0.330 3.995 4.320 0.008 0.000 0.217 707 A C 2.347 179.870 177.584 -0.102 0.000 1.191 707 A CA 2.460 54.439 52.037 -0.097 0.000 0.623 707 A CB -0.619 18.350 19.000 -0.052 0.000 0.826 707 A HN 0.548 nan 8.150 nan 0.000 0.444 708 K N -0.730 119.619 120.400 -0.085 0.000 2.089 708 K HA -0.256 4.069 4.320 0.008 0.000 0.210 708 K C 2.150 178.731 176.600 -0.032 0.000 1.048 708 K CA 1.929 58.184 56.287 -0.053 0.000 0.926 708 K CB -0.134 32.339 32.500 -0.046 0.000 0.714 708 K HN 0.549 nan 8.250 nan 0.000 0.448 709 E N 0.557 120.722 120.200 -0.058 0.000 2.033 709 E HA -0.137 4.218 4.350 0.008 0.000 0.189 709 E C 2.092 178.655 176.600 -0.063 0.000 0.979 709 E CA 0.831 57.204 56.400 -0.045 0.000 0.802 709 E CB 0.020 29.687 29.700 -0.055 0.000 0.763 709 E HN 0.266 nan 8.360 nan 0.000 0.449 710 I N 1.974 122.444 120.570 -0.167 0.000 2.127 710 I HA -0.288 3.887 4.170 0.008 0.000 0.241 710 I C 2.745 178.755 176.117 -0.178 0.000 1.075 710 I CA 1.638 62.762 61.300 -0.293 0.000 1.334 710 I CB -1.717 35.854 38.000 -0.715 0.000 1.040 710 I HN 0.137 nan 8.210 nan 0.000 0.405 711 S N 0.986 116.615 115.700 -0.117 0.000 2.351 711 S HA -0.235 4.239 4.470 0.008 0.000 0.220 711 S C 1.795 176.695 174.600 0.500 0.000 1.035 711 S CA 1.401 59.654 58.200 0.089 0.000 1.031 711 S CB -0.936 62.150 63.200 -0.190 0.000 0.928 711 S HN 0.509 nan 8.310 nan 0.000 0.433 712 E N 0.903 121.305 120.200 0.337 0.000 2.209 712 E HA -0.125 4.230 4.350 0.008 0.000 0.196 712 E C 2.317 179.072 176.600 0.259 0.000 0.993 712 E CA 0.812 57.405 56.400 0.322 0.000 0.819 712 E CB -0.166 29.640 29.700 0.176 0.000 0.745 712 E HN 0.572 nan 8.360 nan 0.000 0.477 713 R N 1.070 121.688 120.500 0.197 0.000 2.161 713 R HA -0.036 4.308 4.340 0.008 0.000 0.213 713 R C 2.228 178.652 176.300 0.205 0.000 1.055 713 R CA 0.807 56.998 56.100 0.150 0.000 0.996 713 R CB 0.067 30.414 30.300 0.079 0.000 0.901 713 R HN 0.269 nan 8.270 nan 0.000 0.456 714 I N -3.305 117.453 120.570 0.312 0.000 3.854 714 I HA 0.081 4.256 4.170 0.008 0.000 0.312 714 I C 1.784 178.209 176.117 0.513 0.000 1.273 714 I CA -0.170 61.375 61.300 0.408 0.000 1.298 714 I CB -0.398 37.863 38.000 0.436 0.000 1.071 714 I HN -0.040 nan 8.210 nan 0.000 0.428 715 Y N 2.721 123.265 120.300 0.406 0.000 1.993 715 Y HA -0.375 4.180 4.550 0.007 0.000 0.267 715 Y C 2.742 178.700 175.900 0.098 0.000 1.155 715 Y CA 2.695 60.865 58.100 0.117 0.000 1.105 715 Y CB -0.212 38.050 38.460 -0.330 0.000 0.960 715 Y HN 0.288 nan 8.280 nan 0.000 0.486 716 E N 0.415 120.652 120.200 0.062 0.000 2.058 716 E HA -0.335 4.020 4.350 0.008 0.000 0.194 716 E C 2.369 178.906 176.600 -0.104 0.000 0.997 716 E CA 1.761 58.119 56.400 -0.070 0.000 0.801 716 E CB -0.345 29.395 29.700 0.066 0.000 0.746 716 E HN 0.526 nan 8.360 nan 0.000 0.450 717 K N -0.433 119.944 120.400 -0.037 0.000 2.044 717 K HA -0.222 4.103 4.320 0.008 0.000 0.210 717 K C 1.873 178.387 176.600 -0.142 0.000 1.049 717 K CA 1.932 58.148 56.287 -0.119 0.000 0.927 717 K CB -0.280 32.085 32.500 -0.226 0.000 0.713 717 K HN 0.254 nan 8.250 nan 0.000 0.443 718 Y N -0.114 120.226 120.300 0.068 0.000 2.490 718 Y HA 0.076 4.630 4.550 0.008 0.000 0.285 718 Y C 2.457 178.103 175.900 -0.424 0.000 1.117 718 Y CA 0.518 58.614 58.100 -0.007 0.000 1.262 718 Y CB 0.140 38.706 38.460 0.176 0.000 1.043 718 Y HN 0.068 nan 8.280 nan 0.000 0.553 719 R N 0.726 120.908 120.500 -0.529 0.000 2.115 719 R HA -0.130 4.215 4.340 0.008 0.000 0.230 719 R C 1.211 177.246 176.300 -0.441 0.000 1.111 719 R CA 1.316 56.893 56.100 -0.871 0.000 0.976 719 R CB -0.058 29.723 30.300 -0.865 0.000 0.870 719 R HN 0.300 nan 8.270 nan 0.000 0.445 720 N N 0.592 119.138 118.700 -0.257 0.000 2.520 720 N HA -0.105 4.639 4.740 0.008 0.000 0.185 720 N C 1.324 176.759 175.510 -0.124 0.000 1.068 720 N CA 0.781 53.744 53.050 -0.144 0.000 0.911 720 N CB 0.101 38.544 38.487 -0.072 0.000 0.961 720 N HN 0.346 nan 8.380 nan 0.000 0.446 721 L N -0.364 120.766 121.223 -0.154 0.000 2.513 721 L HA 0.105 4.450 4.340 0.008 0.000 0.222 721 L C 1.903 178.703 176.870 -0.116 0.000 1.096 721 L CA 0.057 54.818 54.840 -0.132 0.000 0.857 721 L CB -0.010 41.964 42.059 -0.142 0.000 1.026 721 L HN -0.121 nan 8.230 nan 0.000 0.469 722 V N 1.396 121.209 119.914 -0.169 0.000 2.252 722 V HA -0.203 3.921 4.120 0.008 0.000 0.249 722 V C -0.120 175.986 176.094 0.020 0.000 1.056 722 V CA 2.270 64.508 62.300 -0.104 0.000 1.022 722 V CB -1.784 29.939 31.823 -0.166 0.000 0.641 722 V HN 0.388 nan 8.190 nan 0.000 0.445 723 P HA -0.128 nan 4.420 nan 0.000 0.226 723 P C 1.490 178.804 177.300 0.023 0.000 1.146 723 P CA 1.361 64.479 63.100 0.031 0.000 0.773 723 P CB -0.085 31.610 31.700 -0.010 0.000 0.772 724 L N -1.447 119.777 121.223 0.001 0.000 2.509 724 L HA 0.092 4.436 4.340 0.008 0.000 0.222 724 L C 1.079 177.970 176.870 0.035 0.000 1.123 724 L CA -0.010 54.825 54.840 -0.008 0.000 0.856 724 L CB -0.490 41.539 42.059 -0.049 0.000 0.985 724 L HN -0.095 nan 8.230 nan 0.000 0.456 725 C N 1.030 120.382 119.300 0.087 0.000 2.482 725 C HA 0.155 4.619 4.460 0.008 0.000 0.378 725 C C 1.512 176.696 174.990 0.324 0.000 1.284 725 C CA -0.425 58.693 59.018 0.166 0.000 1.826 725 C CB 0.533 28.327 27.740 0.090 0.000 2.473 725 C HN 0.303 nan 8.230 nan 0.000 0.562 726 K N 0.671 121.233 120.400 0.269 0.000 2.399 726 K HA 0.107 4.431 4.320 0.008 0.000 0.196 726 K C 1.149 177.917 176.600 0.281 0.000 1.117 726 K CA 0.459 56.876 56.287 0.216 0.000 0.965 726 K CB 0.234 32.808 32.500 0.123 0.000 0.983 726 K HN 0.861 nan 8.250 nan 0.000 0.531 727 T N -2.654 112.108 114.554 0.346 0.000 2.940 727 T HA 0.393 4.747 4.350 0.008 0.000 0.288 727 T C 0.936 175.865 174.700 0.381 0.000 1.045 727 T CA -0.806 61.497 62.100 0.339 0.000 1.018 727 T CB 2.021 71.052 68.868 0.271 0.000 1.151 727 T HN -0.170 nan 8.240 nan 0.000 0.529 728 R N -0.261 120.399 120.500 0.266 0.000 2.073 728 R HA -0.071 4.274 4.340 0.008 0.000 0.234 728 R C 2.015 178.318 176.300 0.005 0.000 1.134 728 R CA 1.705 57.768 56.100 -0.061 0.000 0.952 728 R CB -1.719 28.306 30.300 -0.459 0.000 0.850 728 R HN 0.787 nan 8.270 nan 0.000 0.433 729 Y N 1.599 122.066 120.300 0.279 0.000 2.165 729 Y HA -0.235 4.319 4.550 0.007 0.000 0.286 729 Y C 1.588 177.613 175.900 0.208 0.000 1.155 729 Y CA 2.182 60.568 58.100 0.475 0.000 1.164 729 Y CB -0.460 38.217 38.460 0.363 0.000 0.978 729 Y HN 0.183 nan 8.280 nan 0.000 0.513 730 D N 0.225 120.669 120.400 0.073 0.000 2.103 730 D HA -0.256 4.389 4.640 0.008 0.000 0.190 730 D C 2.497 178.701 176.300 -0.160 0.000 0.997 730 D CA 1.541 55.501 54.000 -0.068 0.000 0.833 730 D CB -0.761 40.064 40.800 0.042 0.000 0.961 730 D HN 0.374 nan 8.370 nan 0.000 0.447 731 L N 0.824 121.881 121.223 -0.276 0.000 2.043 731 L HA -0.235 4.109 4.340 0.008 0.000 0.212 731 L C 2.416 179.176 176.870 -0.185 0.000 1.075 731 L CA 1.592 56.185 54.840 -0.411 0.000 0.752 731 L CB -0.512 40.959 42.059 -0.979 0.000 0.891 731 L HN 0.027 nan 8.230 nan 0.000 0.432 732 S N 0.175 115.828 115.700 -0.080 0.000 2.353 732 S HA -0.251 4.224 4.470 0.008 0.000 0.222 732 S C 1.594 176.167 174.600 -0.044 0.000 1.035 732 S CA 2.078 60.308 58.200 0.050 0.000 1.025 732 S CB -0.268 63.117 63.200 0.308 0.000 0.902 732 S HN 0.575 nan 8.310 nan 0.000 0.440 733 N N 0.391 118.991 118.700 -0.167 0.000 2.094 733 N HA -0.103 4.641 4.740 0.008 0.000 0.191 733 N C 1.641 177.123 175.510 -0.047 0.000 1.023 733 N CA 1.664 54.626 53.050 -0.147 0.000 0.857 733 N CB -0.433 37.923 38.487 -0.219 0.000 1.013 733 N HN 0.279 nan 8.380 nan 0.000 0.426 734 V N 0.758 120.649 119.914 -0.039 0.000 2.283 734 V HA -0.145 3.979 4.120 0.008 0.000 0.243 734 V C 2.078 178.191 176.094 0.031 0.000 1.039 734 V CA 1.300 63.621 62.300 0.035 0.000 1.016 734 V CB -0.483 31.350 31.823 0.017 0.000 0.650 734 V HN 0.286 nan 8.190 nan 0.000 0.449 735 I N -0.073 120.530 120.570 0.055 0.000 2.163 735 I HA -0.245 3.929 4.170 0.008 0.000 0.243 735 I C 2.400 178.524 176.117 0.012 0.000 1.085 735 I CA 1.438 62.785 61.300 0.079 0.000 1.347 735 I CB -0.422 37.626 38.000 0.081 0.000 1.044 735 I HN 0.152 nan 8.210 nan 0.000 0.408 736 V N 0.489 120.414 119.914 0.019 0.000 2.343 736 V HA -0.258 3.867 4.120 0.008 0.000 0.247 736 V C 2.467 178.557 176.094 -0.007 0.000 1.051 736 V CA 1.762 64.088 62.300 0.045 0.000 1.036 736 V CB -0.680 31.188 31.823 0.075 0.000 0.654 736 V HN 0.414 nan 8.190 nan 0.000 0.451 737 E N 0.206 120.358 120.200 -0.080 0.000 2.118 737 E HA -0.273 4.082 4.350 0.008 0.000 0.195 737 E C 2.159 178.466 176.600 -0.489 0.000 0.992 737 E CA 1.966 58.264 56.400 -0.171 0.000 0.804 737 E CB -0.336 29.358 29.700 -0.011 0.000 0.741 737 E HN 0.766 nan 8.360 nan 0.000 0.458 738 M N -0.041 119.140 119.600 -0.698 0.000 2.349 738 M HA -0.044 4.441 4.480 0.008 0.000 0.266 738 M C 1.705 177.958 176.300 -0.078 0.000 1.076 738 M CA 1.461 56.385 55.300 -0.627 0.000 1.126 738 M CB -0.083 32.298 32.600 -0.365 0.000 1.392 738 M HN -0.135 nan 8.290 nan 0.000 0.440 739 Q N 0.579 120.380 119.800 0.001 0.000 2.123 739 Q HA 0.062 4.406 4.340 0.008 0.000 0.199 739 Q C 2.162 178.264 176.000 0.171 0.000 0.966 739 Q CA 1.258 57.142 55.803 0.135 0.000 0.845 739 Q CB -0.552 28.246 28.738 0.100 0.000 0.907 739 Q HN 0.788 nan 8.270 nan 0.000 0.439 740 G N 1.151 110.000 108.800 0.083 0.000 2.470 740 G HA2 -0.237 3.727 3.960 0.008 0.000 0.220 740 G HA3 -0.237 3.727 3.960 0.008 0.000 0.220 740 G C 1.162 176.105 174.900 0.072 0.000 1.121 740 G CA 0.412 45.559 45.100 0.080 0.000 0.766 740 G HN 0.195 nan 8.290 nan 0.000 0.553 741 E N 0.128 120.350 120.200 0.037 0.000 2.265 741 E HA -0.101 4.253 4.350 0.008 0.000 0.196 741 E C 1.448 177.977 176.600 -0.118 0.000 0.996 741 E CA 0.515 56.910 56.400 -0.008 0.000 0.832 741 E CB -0.247 29.445 29.700 -0.014 0.000 0.756 741 E HN 0.670 nan 8.360 nan 0.000 0.491 742 Y N 0.536 120.821 120.300 -0.026 0.000 2.578 742 Y HA 0.084 4.638 4.550 0.008 0.000 0.297 742 Y C 0.562 176.491 175.900 0.048 0.000 1.176 742 Y CA 0.121 58.158 58.100 -0.105 0.000 1.315 742 Y CB -0.107 38.254 38.460 -0.165 0.000 1.031 742 Y HN -0.108 nan 8.280 nan 0.000 0.524 743 R N 0.566 121.198 120.500 0.219 0.000 3.387 743 R HA -0.181 4.163 4.340 0.008 0.000 0.254 743 R C -0.637 175.888 176.300 0.375 0.000 1.006 743 R CA 0.997 57.308 56.100 0.353 0.000 0.677 743 R CB -2.431 28.048 30.300 0.299 0.000 1.063 743 R HN 0.144 nan 8.270 nan 0.000 0.453 744 T N -1.547 113.023 114.554 0.027 0.000 2.883 744 T HA 0.422 4.777 4.350 0.008 0.000 0.296 744 T C 0.289 174.265 174.700 -1.206 0.000 1.117 744 T CA -0.403 61.533 62.100 -0.272 0.000 1.006 744 T CB 1.912 70.891 68.868 0.185 0.000 1.191 744 T HN 0.225 nan 8.240 nan 0.000 0.508 745 S N -0.064 114.815 115.700 -1.368 0.000 2.633 745 S HA 0.272 4.747 4.470 0.008 0.000 0.257 745 S C 0.077 174.409 174.600 -0.446 0.000 1.265 745 S CA -0.126 57.236 58.200 -1.397 0.000 0.980 745 S CB -0.443 62.125 63.200 -1.053 0.000 1.017 745 S HN 0.914 nan 8.310 nan 0.000 0.577 746 H N -1.322 117.521 119.070 -0.378 0.000 2.690 746 H HA -0.117 4.443 4.556 0.008 0.000 0.309 746 H C -0.452 174.407 175.328 -0.783 0.000 1.138 746 H CA 0.871 56.452 56.048 -0.779 0.000 1.142 746 H CB -2.350 27.144 29.762 -0.446 0.000 1.410 746 H HN 0.446 nan 8.280 nan 0.000 0.409 747 S N 0.877 116.372 115.700 -0.341 0.000 2.665 747 S HA 0.343 4.817 4.470 0.008 0.000 0.230 747 S C -0.061 174.603 174.600 0.108 0.000 1.326 747 S CA -0.673 57.464 58.200 -0.107 0.000 1.055 747 S CB 0.127 63.336 63.200 0.017 0.000 1.178 747 S HN 0.339 nan 8.310 nan 0.000 0.489 748 Y N 1.090 121.403 120.300 0.022 0.000 2.596 748 Y HA 0.595 5.149 4.550 0.007 0.000 0.326 748 Y C 0.689 176.584 175.900 -0.009 0.000 1.167 748 Y CA -1.307 56.775 58.100 -0.030 0.000 1.246 748 Y CB 1.007 39.439 38.460 -0.047 0.000 1.347 748 Y HN 0.293 nan 8.280 nan 0.000 0.515 749 E N 2.151 122.445 120.200 0.156 0.000 2.302 749 E HA 0.373 4.728 4.350 0.008 0.000 0.263 749 E C -1.838 174.805 176.600 0.073 0.000 0.897 749 E CA -0.420 56.047 56.400 0.112 0.000 0.809 749 E CB 1.157 30.923 29.700 0.109 0.000 1.270 749 E HN 0.673 nan 8.360 nan 0.000 0.410 750 M N 2.156 121.809 119.600 0.087 0.000 2.644 750 M HA 0.681 5.165 4.480 0.008 0.000 0.304 750 M C 0.378 176.741 176.300 0.106 0.000 1.215 750 M CA -0.336 54.998 55.300 0.056 0.000 0.871 750 M CB 2.056 34.672 32.600 0.027 0.000 1.740 750 M HN 0.727 nan 8.290 nan 0.000 0.464 751 G N 0.455 109.317 108.800 0.104 0.000 2.750 751 G HA2 0.313 4.277 3.960 0.008 0.000 0.228 751 G HA3 0.313 4.277 3.960 0.008 0.000 0.228 751 G C -0.069 174.981 174.900 0.250 0.000 1.367 751 G CA -0.133 45.051 45.100 0.140 0.000 0.871 751 G HN 1.876 nan 8.290 nan 0.000 0.560 752 G N -3.112 105.819 108.800 0.219 0.000 2.662 752 G HA2 0.455 4.419 3.960 0.008 0.000 0.686 752 G HA3 0.455 4.419 3.960 0.008 0.000 0.686 752 G C -0.309 174.744 174.900 0.256 0.000 1.271 752 G CA 0.410 45.644 45.100 0.222 0.000 0.816 752 G HN 2.077 nan 8.290 nan 0.000 0.608 753 T N 1.547 116.188 114.554 0.145 0.000 2.770 753 T HA 0.564 4.919 4.350 0.008 0.000 0.297 753 T C 0.666 175.372 174.700 0.011 0.000 0.997 753 T CA -0.049 62.151 62.100 0.167 0.000 0.949 753 T CB 0.802 69.819 68.868 0.247 0.000 0.941 753 T HN 0.433 nan 8.240 nan 0.000 0.457 754 F N 1.310 121.324 119.950 0.107 0.000 2.678 754 F HA 0.297 4.829 4.527 0.008 0.000 0.291 754 F C 1.580 177.424 175.800 0.073 0.000 1.123 754 F CA -0.144 57.920 58.000 0.106 0.000 1.395 754 F CB 0.899 39.953 39.000 0.090 0.000 1.121 754 F HN 0.443 nan 8.300 nan 0.000 0.592 755 T N -0.910 113.770 114.554 0.210 0.000 2.840 755 T HA 0.160 4.515 4.350 0.008 0.000 0.317 755 T C -0.770 173.970 174.700 0.065 0.000 1.401 755 T CA -0.636 61.530 62.100 0.109 0.000 1.028 755 T CB 1.332 70.239 68.868 0.065 0.000 1.317 755 T HN 0.160 nan 8.240 nan 0.000 0.495 756 D N 1.424 121.844 120.400 0.032 0.000 2.342 756 D HA 0.125 4.769 4.640 0.008 0.000 0.221 756 D C 0.071 176.358 176.300 -0.021 0.000 1.101 756 D CA -0.270 53.738 54.000 0.014 0.000 0.837 756 D CB 0.282 41.091 40.800 0.014 0.000 0.938 756 D HN 0.179 nan 8.370 nan 0.000 0.508 757 K N 1.501 121.875 120.400 -0.043 0.000 2.249 757 K HA 0.150 4.474 4.320 0.008 0.000 0.280 757 K C 0.011 176.542 176.600 -0.115 0.000 1.033 757 K CA -0.465 55.764 56.287 -0.098 0.000 0.946 757 K CB 1.009 33.421 32.500 -0.147 0.000 1.005 757 K HN 0.095 nan 8.250 nan 0.000 0.469 758 D N 3.730 124.050 120.400 -0.133 0.000 2.372 758 D HA 0.118 4.763 4.640 0.008 0.000 0.243 758 D C -2.046 174.139 176.300 -0.192 0.000 1.121 758 D CA -1.250 52.676 54.000 -0.122 0.000 0.898 758 D CB 0.421 41.164 40.800 -0.096 0.000 1.202 758 D HN 0.216 nan 8.370 nan 0.000 0.428 759 P HA 0.004 nan 4.420 nan 0.000 0.266 759 P C -0.114 177.122 177.300 -0.107 0.000 1.195 759 P CA -0.144 62.891 63.100 -0.109 0.000 0.768 759 P CB 0.307 31.991 31.700 -0.026 0.000 0.838 760 F N 2.512 122.460 119.950 -0.004 0.000 2.595 760 F HA 0.061 4.593 4.527 0.008 0.000 0.359 760 F C 1.854 177.660 175.800 0.011 0.000 1.147 760 F CA 0.850 58.850 58.000 0.000 0.000 1.341 760 F CB 0.241 39.229 39.000 -0.020 0.000 1.104 760 F HN 0.101 nan 8.300 nan 0.000 0.603 761 R N 1.152 121.801 120.500 0.248 0.000 2.732 761 R HA 0.611 4.955 4.340 0.008 0.000 0.278 761 R C -0.903 175.503 176.300 0.176 0.000 0.976 761 R CA -0.895 55.301 56.100 0.161 0.000 0.963 761 R CB 2.006 32.378 30.300 0.119 0.000 1.150 761 R HN 0.571 nan 8.270 nan 0.000 0.478 762 S N -0.185 115.594 115.700 0.131 0.000 2.619 762 S HA 0.503 4.977 4.470 0.008 0.000 0.280 762 S C -0.726 173.937 174.600 0.105 0.000 1.150 762 S CA -0.592 57.691 58.200 0.137 0.000 0.978 762 S CB 1.593 64.870 63.200 0.127 0.000 1.041 762 S HN 0.758 nan 8.310 nan 0.000 0.485 763 G N 3.443 112.307 108.800 0.107 0.000 2.320 763 G HA2 0.594 4.558 3.960 0.008 0.000 0.300 763 G HA3 0.594 4.558 3.960 0.008 0.000 0.300 763 G C -0.666 174.291 174.900 0.096 0.000 1.126 763 G CA -0.465 44.680 45.100 0.076 0.000 0.896 763 G HN 0.629 nan 8.290 nan 0.000 0.436 764 R N 1.557 122.100 120.500 0.072 0.000 2.621 764 R HA 0.421 4.765 4.340 0.008 0.000 0.292 764 R C 0.423 176.756 176.300 0.055 0.000 0.969 764 R CA -0.788 55.351 56.100 0.065 0.000 0.887 764 R CB 1.978 32.291 30.300 0.023 0.000 1.180 764 R HN 0.483 nan 8.270 nan 0.000 0.450 765 I N -0.127 120.480 120.570 0.061 0.000 3.658 765 I HA 0.418 4.592 4.170 0.008 0.000 0.328 765 I C 0.074 176.217 176.117 0.042 0.000 1.567 765 I CA -0.687 60.651 61.300 0.062 0.000 1.078 765 I CB 0.077 38.131 38.000 0.090 0.000 1.267 765 I HN 0.669 nan 8.210 nan 0.000 0.495 766 A N 0.483 123.303 122.820 0.000 0.000 2.610 766 A HA -0.177 4.148 4.320 0.008 0.000 0.299 766 A C 0.154 177.790 177.584 0.086 0.000 1.487 766 A CA 0.963 53.001 52.037 0.002 0.000 0.743 766 A CB -2.427 16.621 19.000 0.081 0.000 1.070 766 A HN 0.664 nan 8.150 nan 0.000 0.439 767 C N -0.076 119.178 119.300 -0.077 0.000 3.090 767 C HA 0.715 5.179 4.460 0.008 0.000 0.305 767 C C -0.570 174.146 174.990 -0.456 0.000 1.292 767 C CA -0.796 58.102 59.018 -0.200 0.000 1.482 767 C CB 2.137 29.661 27.740 -0.361 0.000 1.897 767 C HN 0.673 nan 8.230 nan 0.000 0.469 768 D N 1.018 121.227 120.400 -0.320 0.000 2.308 768 D HA 0.573 5.217 4.640 0.008 0.000 0.242 768 D C -0.952 175.168 176.300 -0.301 0.000 1.059 768 D CA 0.115 53.969 54.000 -0.244 0.000 0.830 768 D CB 0.834 41.662 40.800 0.048 0.000 1.161 768 D HN 0.300 nan 8.370 nan 0.000 0.494 769 F N 1.215 121.284 119.950 0.198 0.000 2.443 769 F HA 0.407 4.938 4.527 0.008 0.000 0.335 769 F C 0.852 176.838 175.800 0.311 0.000 1.104 769 F CA -0.942 57.179 58.000 0.201 0.000 1.013 769 F CB 1.801 40.822 39.000 0.035 0.000 1.136 769 F HN -0.110 nan 8.300 nan 0.000 0.470 770 K N 3.864 124.562 120.400 0.496 0.000 2.463 770 K HA 0.328 4.652 4.320 0.008 0.000 0.255 770 K C -1.465 175.318 176.600 0.305 0.000 0.942 770 K CA -0.769 55.734 56.287 0.360 0.000 0.814 770 K CB 1.346 33.990 32.500 0.239 0.000 1.122 770 K HN 0.588 nan 8.250 nan 0.000 0.425 771 L N 5.300 126.649 121.223 0.211 0.000 2.407 771 L HA 0.186 4.530 4.340 0.008 0.000 0.282 771 L C -0.799 176.065 176.870 -0.009 0.000 1.110 771 L CA 0.795 55.609 54.840 -0.044 0.000 0.863 771 L CB 0.312 42.280 42.059 -0.150 0.000 1.207 771 L HN 0.836 nan 8.230 nan 0.000 0.454 772 D N 4.639 125.038 120.400 -0.001 0.000 2.453 772 D HA 0.442 5.087 4.640 0.008 0.000 0.238 772 D C 0.635 176.934 176.300 -0.002 0.000 1.088 772 D CA 0.623 54.635 54.000 0.020 0.000 0.854 772 D CB 1.569 42.403 40.800 0.056 0.000 1.076 772 D HN 0.815 nan 8.370 nan 0.000 0.533 773 G N 5.202 113.989 108.800 -0.022 0.000 2.557 773 G HA2 -0.294 3.671 3.960 0.008 0.000 0.292 773 G HA3 -0.294 3.671 3.960 0.008 0.000 0.292 773 G C 0.413 175.256 174.900 -0.094 0.000 1.162 773 G CA 0.555 45.635 45.100 -0.033 0.000 0.964 773 G HN 0.661 nan 8.290 nan 0.000 0.541 774 D N 0.235 120.562 120.400 -0.120 0.000 2.501 774 D HA 0.244 4.888 4.640 0.008 0.000 0.224 774 D C 0.112 176.148 176.300 -0.440 0.000 1.202 774 D CA 0.042 53.885 54.000 -0.261 0.000 0.829 774 D CB 0.088 40.729 40.800 -0.265 0.000 1.023 774 D HN 0.580 nan 8.370 nan 0.000 0.499 775 H N -0.146 118.844 119.070 -0.134 0.000 2.851 775 H HA 0.252 4.812 4.556 0.008 0.000 0.372 775 H C -1.088 174.171 175.328 -0.116 0.000 1.158 775 H CA -0.562 55.426 56.048 -0.101 0.000 1.159 775 H CB 1.497 31.239 29.762 -0.033 0.000 1.757 775 H HN -0.040 nan 8.280 nan 0.000 0.546 776 Y N 0.778 121.132 120.300 0.090 0.000 2.304 776 Y HA 0.253 4.808 4.550 0.008 0.000 0.328 776 Y C 0.526 176.481 175.900 0.091 0.000 1.123 776 Y CA -0.126 57.998 58.100 0.038 0.000 1.218 776 Y CB 1.437 39.816 38.460 -0.136 0.000 1.207 776 Y HN 0.224 nan 8.280 nan 0.000 0.495 777 V N 4.434 124.539 119.914 0.319 0.000 2.815 777 V HA 0.496 4.621 4.120 0.008 0.000 0.314 777 V C -0.979 175.313 176.094 0.330 0.000 1.064 777 V CA -0.886 61.565 62.300 0.252 0.000 0.952 777 V CB 1.986 33.908 31.823 0.165 0.000 1.020 777 V HN 0.473 nan 8.190 nan 0.000 0.439 778 V N 7.024 127.102 119.914 0.274 0.000 2.370 778 V HA 0.316 4.441 4.120 0.008 0.000 0.257 778 V C 1.286 177.462 176.094 0.137 0.000 1.064 778 V CA 0.670 63.111 62.300 0.234 0.000 0.975 778 V CB 0.079 32.008 31.823 0.177 0.000 1.067 778 V HN 1.107 nan 8.190 nan 0.000 0.485 779 A N 4.903 127.794 122.820 0.118 0.000 1.929 779 A HA 0.071 4.396 4.320 0.008 0.000 0.216 779 A C 1.091 178.680 177.584 0.009 0.000 1.176 779 A CA 1.021 53.105 52.037 0.079 0.000 0.628 779 A CB 0.127 19.191 19.000 0.107 0.000 0.816 779 A HN 0.664 nan 8.150 nan 0.000 0.444 780 K N -1.683 118.691 120.400 -0.043 0.000 2.542 780 K HA 0.580 4.905 4.320 0.008 0.000 0.259 780 K C -1.856 174.648 176.600 -0.160 0.000 0.932 780 K CA -0.220 55.977 56.287 -0.150 0.000 0.820 780 K CB 1.851 34.187 32.500 -0.274 0.000 1.345 780 K HN 0.169 nan 8.250 nan 0.000 0.432 781 A N 3.840 126.565 122.820 -0.157 0.000 2.323 781 A HA 0.464 4.788 4.320 0.008 0.000 0.305 781 A C -1.506 176.105 177.584 0.045 0.000 1.275 781 A CA -0.534 51.493 52.037 -0.016 0.000 0.804 781 A CB 0.058 19.038 19.000 -0.033 0.000 1.152 781 A HN 0.584 nan 8.150 nan 0.000 0.487 782 Y N 1.125 121.471 120.300 0.076 0.000 2.411 782 Y HA 0.447 5.001 4.550 0.008 0.000 0.333 782 Y C 0.831 176.747 175.900 0.026 0.000 1.186 782 Y CA 0.745 58.862 58.100 0.027 0.000 1.381 782 Y CB 1.067 39.498 38.460 -0.047 0.000 1.273 782 Y HN 0.906 nan 8.280 nan 0.000 0.546 783 A N 1.261 124.061 122.820 -0.034 0.000 2.565 783 A HA 0.645 4.970 4.320 0.008 0.000 0.298 783 A C -0.060 177.280 177.584 -0.407 0.000 1.062 783 A CA -0.082 51.738 52.037 -0.362 0.000 0.723 783 A CB 0.623 19.086 19.000 -0.895 0.000 1.282 783 A HN 0.844 nan 8.150 nan 0.000 0.400 784 G N -0.124 108.429 108.800 -0.411 0.000 2.930 784 G HA2 0.433 4.398 3.960 0.008 0.000 0.209 784 G HA3 0.433 4.398 3.960 0.008 0.000 0.209 784 G C -0.498 174.189 174.900 -0.356 0.000 2.018 784 G CA 0.514 45.419 45.100 -0.325 0.000 0.751 784 G HN 0.680 nan 8.290 nan 0.000 0.770 785 D N -0.114 120.148 120.400 -0.230 0.000 2.411 785 D HA 0.220 4.864 4.640 0.008 0.000 0.225 785 D C 0.669 176.892 176.300 -0.128 0.000 1.156 785 D CA -0.582 53.338 54.000 -0.135 0.000 0.874 785 D CB 0.575 41.350 40.800 -0.042 0.000 1.034 785 D HN 0.224 nan 8.370 nan 0.000 0.502 786 Y N 1.695 121.922 120.300 -0.122 0.000 2.228 786 Y HA -0.241 4.314 4.550 0.008 0.000 0.285 786 Y C 2.524 178.375 175.900 -0.081 0.000 1.178 786 Y CA 1.218 59.230 58.100 -0.147 0.000 1.202 786 Y CB -0.133 38.221 38.460 -0.175 0.000 0.974 786 Y HN 0.352 nan 8.280 nan 0.000 0.527 787 S N -0.667 115.095 115.700 0.104 0.000 2.527 787 S HA -0.007 4.467 4.470 0.008 0.000 0.222 787 S C 0.655 175.279 174.600 0.040 0.000 0.985 787 S CA -0.104 58.132 58.200 0.060 0.000 0.921 787 S CB -0.233 62.996 63.200 0.047 0.000 0.772 787 S HN 0.303 nan 8.310 nan 0.000 0.529 788 N N 1.985 120.705 118.700 0.034 0.000 2.379 788 N HA 0.172 4.916 4.740 0.008 0.000 0.260 788 N C 0.004 175.539 175.510 0.042 0.000 1.254 788 N CA -0.109 52.965 53.050 0.040 0.000 0.958 788 N CB 0.332 38.852 38.487 0.054 0.000 1.208 788 N HN 0.295 nan 8.380 nan 0.000 0.532 789 E N -0.750 119.480 120.200 0.051 0.000 2.277 789 E HA 0.357 4.712 4.350 0.008 0.000 0.274 789 E C 0.005 176.654 176.600 0.081 0.000 1.022 789 E CA -0.616 55.810 56.400 0.043 0.000 0.853 789 E CB 0.431 30.138 29.700 0.011 0.000 1.086 789 E HN 0.703 nan 8.360 nan 0.000 0.397 790 G N 3.455 112.297 108.800 0.071 0.000 2.395 790 G HA2 -0.292 3.672 3.960 0.008 0.000 0.300 790 G HA3 -0.292 3.672 3.960 0.008 0.000 0.300 790 G C 0.129 175.133 174.900 0.173 0.000 0.998 790 G CA 0.936 46.103 45.100 0.110 0.000 1.046 790 G HN 0.683 nan 8.290 nan 0.000 0.513 791 E N -0.683 119.562 120.200 0.075 0.000 3.105 791 E HA 0.189 4.543 4.350 0.008 0.000 0.198 791 E C 0.526 177.070 176.600 -0.092 0.000 0.976 791 E CA 0.007 56.395 56.400 -0.020 0.000 1.219 791 E CB 0.438 30.101 29.700 -0.062 0.000 1.081 791 E HN 0.802 nan 8.360 nan 0.000 0.464 792 K N -1.088 119.308 120.400 -0.007 0.000 2.625 792 K HA 0.263 4.588 4.320 0.008 0.000 0.284 792 K C -0.677 176.052 176.600 0.215 0.000 0.984 792 K CA -0.780 55.527 56.287 0.033 0.000 0.865 792 K CB 1.304 33.720 32.500 -0.140 0.000 1.468 792 K HN -0.055 nan 8.250 nan 0.000 0.407 793 S N 1.808 117.745 115.700 0.394 0.000 2.546 793 S HA 0.079 4.553 4.470 0.008 0.000 0.290 793 S C -1.059 173.711 174.600 0.284 0.000 1.290 793 S CA -0.814 57.558 58.200 0.287 0.000 1.069 793 S CB 0.266 63.582 63.200 0.194 0.000 0.846 793 S HN 0.553 nan 8.310 nan 0.000 0.495 794 P HA -0.145 nan 4.420 nan 0.000 0.222 794 P C 1.424 178.835 177.300 0.185 0.000 1.142 794 P CA 1.125 64.322 63.100 0.161 0.000 0.788 794 P CB -0.042 31.729 31.700 0.118 0.000 0.767 795 I N -1.478 119.165 120.570 0.121 0.000 2.286 795 I HA -0.228 3.947 4.170 0.008 0.000 0.248 795 I C 2.317 178.504 176.117 0.116 0.000 1.115 795 I CA 1.284 62.626 61.300 0.070 0.000 1.392 795 I CB -0.723 37.196 38.000 -0.135 0.000 1.065 795 I HN -0.173 nan 8.210 nan 0.000 0.418 796 F N 1.328 121.345 119.950 0.111 0.000 2.184 796 F HA -0.274 4.258 4.527 0.007 0.000 0.301 796 F C 2.387 178.233 175.800 0.077 0.000 1.076 796 F CA 1.392 59.456 58.000 0.107 0.000 1.295 796 F CB -0.462 38.639 39.000 0.169 0.000 1.026 796 F HN 0.136 nan 8.300 nan 0.000 0.494 797 E N -1.242 119.094 120.200 0.227 0.000 2.396 797 E HA -0.217 4.137 4.350 0.008 0.000 0.200 797 E C 0.835 177.362 176.600 -0.121 0.000 1.023 797 E CA 0.812 57.226 56.400 0.023 0.000 0.857 797 E CB -0.237 29.415 29.700 -0.080 0.000 0.775 797 E HN 0.559 nan 8.360 nan 0.000 0.525 798 Y N -0.140 120.184 120.300 0.040 0.000 2.493 798 Y HA 0.206 4.761 4.550 0.007 0.000 0.275 798 Y C 1.267 177.168 175.900 0.002 0.000 1.183 798 Y CA 0.191 58.294 58.100 0.006 0.000 1.258 798 Y CB 0.893 39.337 38.460 -0.026 0.000 1.108 798 Y HN 0.008 nan 8.280 nan 0.000 0.521 799 G N 1.810 110.685 108.800 0.125 0.000 2.298 799 G HA2 -0.268 3.696 3.960 0.008 0.000 0.287 799 G HA3 -0.268 3.696 3.960 0.008 0.000 0.287 799 G C -0.251 174.692 174.900 0.071 0.000 1.075 799 G CA 0.512 45.665 45.100 0.089 0.000 0.960 799 G HN 0.533 nan 8.290 nan 0.000 0.502 800 I N -3.910 116.692 120.570 0.053 0.000 2.785 800 I HA 0.582 4.757 4.170 0.008 0.000 0.293 800 I C -1.274 174.738 176.117 -0.175 0.000 1.446 800 I CA -1.492 59.782 61.300 -0.044 0.000 1.028 800 I CB 2.158 40.067 38.000 -0.151 0.000 1.349 800 I HN -0.018 nan 8.210 nan 0.000 0.438 801 D N 7.199 127.518 120.400 -0.135 0.000 2.347 801 D HA 0.352 4.997 4.640 0.008 0.000 0.235 801 D C -1.516 174.588 176.300 -0.326 0.000 1.149 801 D CA -2.314 51.523 54.000 -0.271 0.000 0.850 801 D CB 1.785 42.639 40.800 0.090 0.000 1.061 801 D HN 0.445 nan 8.370 nan 0.000 0.487 802 P HA -0.093 nan 4.420 nan 0.000 0.225 802 P C 0.223 177.502 177.300 -0.035 0.000 1.148 802 P CA 0.271 63.138 63.100 -0.387 0.000 0.779 802 P CB -0.068 31.434 31.700 -0.329 0.000 0.780 803 T N 0.346 114.895 114.554 -0.009 0.000 2.923 803 T HA 0.228 4.583 4.350 0.008 0.000 0.304 803 T C 1.613 176.425 174.700 0.187 0.000 1.044 803 T CA 1.454 63.602 62.100 0.080 0.000 1.141 803 T CB -0.242 68.662 68.868 0.060 0.000 1.023 803 T HN 0.393 nan 8.240 nan 0.000 0.533 804 G N 1.922 110.805 108.800 0.139 0.000 2.328 804 G HA2 -0.296 3.668 3.960 0.008 0.000 0.256 804 G HA3 -0.296 3.668 3.960 0.008 0.000 0.256 804 G C 0.232 175.192 174.900 0.100 0.000 1.014 804 G CA 0.178 45.340 45.100 0.103 0.000 0.620 804 G HN 0.747 nan 8.290 nan 0.000 0.530 805 Y N 0.340 120.644 120.300 0.007 0.000 2.426 805 Y HA 0.502 5.056 4.550 0.008 0.000 0.344 805 Y C 1.358 177.269 175.900 0.017 0.000 1.256 805 Y CA -0.226 57.873 58.100 -0.002 0.000 1.451 805 Y CB 0.446 38.895 38.460 -0.018 0.000 1.342 805 Y HN 0.169 nan 8.280 nan 0.000 0.600 806 L N 3.718 125.008 121.223 0.112 0.000 2.322 806 L HA 0.404 4.749 4.340 0.008 0.000 0.279 806 L C -0.665 176.246 176.870 0.068 0.000 1.036 806 L CA -0.569 54.304 54.840 0.056 0.000 0.807 806 L CB 1.259 43.263 42.059 -0.093 0.000 1.226 806 L HN 0.467 nan 8.230 nan 0.000 0.433 807 I N 3.122 123.740 120.570 0.080 0.000 2.291 807 I HA 0.102 4.277 4.170 0.008 0.000 0.290 807 I C 0.867 177.021 176.117 0.062 0.000 1.050 807 I CA -0.368 60.953 61.300 0.036 0.000 1.245 807 I CB 1.274 39.244 38.000 -0.051 0.000 1.405 807 I HN 0.720 nan 8.210 nan 0.000 0.478 808 E N 4.793 125.009 120.200 0.027 0.000 2.004 808 E HA -0.064 4.291 4.350 0.008 0.000 0.192 808 E C -0.143 176.489 176.600 0.054 0.000 0.987 808 E CA 1.255 57.692 56.400 0.062 0.000 0.822 808 E CB 0.028 29.735 29.700 0.011 0.000 0.779 808 E HN 0.789 nan 8.360 nan 0.000 0.458 809 D N -1.239 119.161 120.400 0.000 0.000 2.570 809 D HA 0.558 5.202 4.640 0.008 0.000 0.244 809 D C -0.675 175.591 176.300 -0.056 0.000 1.178 809 D CA -0.600 53.385 54.000 -0.025 0.000 0.881 809 D CB 1.522 42.313 40.800 -0.016 0.000 1.453 809 D HN -0.071 nan 8.370 nan 0.000 0.447 810 I N 0.425 120.952 120.570 -0.071 0.000 2.466 810 I HA 0.271 4.446 4.170 0.008 0.000 0.289 810 I C -0.693 175.386 176.117 -0.063 0.000 1.026 810 I CA -0.691 60.561 61.300 -0.081 0.000 1.078 810 I CB 1.847 39.777 38.000 -0.116 0.000 1.249 810 I HN 0.614 nan 8.210 nan 0.000 0.429 811 D N 5.154 125.522 120.400 -0.053 0.000 2.708 811 D HA -0.196 4.448 4.640 0.008 0.000 0.236 811 D C 1.131 177.409 176.300 -0.036 0.000 1.146 811 D CA 1.621 55.597 54.000 -0.041 0.000 0.662 811 D CB -0.715 40.061 40.800 -0.039 0.000 1.059 811 D HN 1.117 nan 8.370 nan 0.000 0.428 812 G N -0.135 108.645 108.800 -0.034 0.000 2.284 812 G HA2 -0.382 3.582 3.960 0.008 0.000 0.261 812 G HA3 -0.382 3.582 3.960 0.008 0.000 0.261 812 G C 0.154 175.037 174.900 -0.028 0.000 0.997 812 G CA 0.788 45.871 45.100 -0.027 0.000 0.621 812 G HN 0.792 nan 8.290 nan 0.000 0.534 813 E N 1.168 121.346 120.200 -0.036 0.000 2.227 813 E HA 0.527 4.882 4.350 0.008 0.000 0.282 813 E C -0.012 176.565 176.600 -0.038 0.000 1.015 813 E CA -0.266 56.111 56.400 -0.038 0.000 0.823 813 E CB 0.552 30.224 29.700 -0.046 0.000 1.081 813 E HN 0.077 nan 8.360 nan 0.000 0.396 814 T N 3.293 117.830 114.554 -0.028 0.000 2.901 814 T HA 0.281 4.636 4.350 0.008 0.000 0.301 814 T C -0.390 174.295 174.700 -0.025 0.000 1.012 814 T CA -0.401 61.688 62.100 -0.018 0.000 1.135 814 T CB 0.725 69.584 68.868 -0.015 0.000 0.936 814 T HN 0.406 nan 8.240 nan 0.000 0.539 815 V N 0.610 120.522 119.914 -0.004 0.000 2.735 815 V HA 1.076 5.200 4.120 0.008 0.000 0.310 815 V C 0.231 176.381 176.094 0.093 0.000 1.061 815 V CA -0.215 62.103 62.300 0.030 0.000 0.913 815 V CB 1.378 33.177 31.823 -0.040 0.000 1.005 815 V HN 1.123 nan 8.190 nan 0.000 0.428 816 G N 1.886 110.731 108.800 0.075 0.000 2.455 816 G HA2 0.533 4.498 3.960 0.008 0.000 0.223 816 G HA3 0.533 4.498 3.960 0.008 0.000 0.223 816 G C 0.646 175.365 174.900 -0.302 0.000 1.226 816 G CA -0.020 44.956 45.100 -0.207 0.000 0.948 816 G HN 1.617 nan 8.290 nan 0.000 0.478 817 A N -0.550 122.080 122.820 -0.316 0.000 2.093 817 A HA 0.219 4.543 4.320 0.008 0.000 0.222 817 A C 2.270 179.769 177.584 -0.142 0.000 1.162 817 A CA 3.083 54.981 52.037 -0.232 0.000 0.655 817 A CB -0.750 18.135 19.000 -0.192 0.000 0.805 817 A HN 1.952 nan 8.150 nan 0.000 0.461 818 G N -2.302 106.429 108.800 -0.115 0.000 2.727 818 G HA2 0.291 4.255 3.960 0.008 0.000 0.203 818 G HA3 0.291 4.255 3.960 0.008 0.000 0.203 818 G C 0.643 175.519 174.900 -0.039 0.000 1.117 818 G CA 0.761 45.819 45.100 -0.069 0.000 0.817 818 G HN 0.423 nan 8.290 nan 0.000 0.553 819 S N 1.348 117.032 115.700 -0.027 0.000 2.422 819 S HA 0.326 4.801 4.470 0.008 0.000 0.298 819 S C -0.257 174.373 174.600 0.050 0.000 1.118 819 S CA -0.757 57.438 58.200 -0.008 0.000 1.083 819 S CB 0.540 63.724 63.200 -0.027 0.000 0.971 819 S HN 0.290 nan 8.310 nan 0.000 0.478 820 N N 5.198 123.905 118.700 0.011 0.000 2.423 820 N HA -0.010 4.734 4.740 0.008 0.000 0.275 820 N C 1.189 176.609 175.510 -0.150 0.000 1.283 820 N CA 0.203 53.269 53.050 0.026 0.000 0.932 820 N CB 0.109 38.582 38.487 -0.023 0.000 1.185 820 N HN 0.814 nan 8.380 nan 0.000 0.483 821 I N 4.652 125.016 120.570 -0.343 0.000 2.286 821 I HA -0.313 3.862 4.170 0.008 0.000 0.248 821 I C 0.819 176.546 176.117 -0.651 0.000 1.115 821 I CA 1.304 62.156 61.300 -0.746 0.000 1.392 821 I CB 0.045 37.063 38.000 -1.637 0.000 1.065 821 I HN 0.519 nan 8.210 nan 0.000 0.418 822 Y N 0.598 120.723 120.300 -0.291 0.000 2.114 822 Y HA -0.270 4.284 4.550 0.007 0.000 0.284 822 Y C 2.771 178.416 175.900 -0.426 0.000 1.143 822 Y CA 1.931 59.903 58.100 -0.213 0.000 1.135 822 Y CB -0.929 37.484 38.460 -0.078 0.000 0.980 822 Y HN 0.105 nan 8.280 nan 0.000 0.499 823 R N 0.378 120.482 120.500 -0.660 0.000 2.083 823 R HA -0.165 4.179 4.340 0.008 0.000 0.237 823 R C 2.069 178.098 176.300 -0.452 0.000 1.137 823 R CA 1.951 57.382 56.100 -1.115 0.000 0.951 823 R CB -0.690 28.930 30.300 -1.132 0.000 0.851 823 R HN 0.207 nan 8.270 nan 0.000 0.434 824 V N 1.518 121.237 119.914 -0.325 0.000 2.231 824 V HA -0.304 3.820 4.120 0.008 0.000 0.248 824 V C 2.474 178.470 176.094 -0.164 0.000 1.054 824 V CA 2.136 64.310 62.300 -0.210 0.000 1.015 824 V CB -0.525 31.175 31.823 -0.205 0.000 0.638 824 V HN 0.366 nan 8.190 nan 0.000 0.444 825 L N 0.087 121.203 121.223 -0.178 0.000 2.043 825 L HA -0.235 4.110 4.340 0.008 0.000 0.212 825 L C 2.743 179.592 176.870 -0.033 0.000 1.075 825 L CA 2.007 56.791 54.840 -0.093 0.000 0.752 825 L CB -0.686 41.333 42.059 -0.066 0.000 0.891 825 L HN 0.438 nan 8.230 nan 0.000 0.432 826 S N -0.221 115.461 115.700 -0.031 0.000 2.383 826 S HA -0.228 4.246 4.470 0.008 0.000 0.229 826 S C 1.705 176.328 174.600 0.037 0.000 1.030 826 S CA 1.566 59.794 58.200 0.047 0.000 1.002 826 S CB -0.199 63.078 63.200 0.129 0.000 0.829 826 S HN 0.491 nan 8.310 nan 0.000 0.467 827 E N -0.256 119.937 120.200 -0.012 0.000 2.482 827 E HA 0.029 4.384 4.350 0.008 0.000 0.196 827 E C 1.258 177.855 176.600 -0.005 0.000 1.047 827 E CA 0.435 56.834 56.400 -0.002 0.000 0.869 827 E CB 0.212 29.895 29.700 -0.028 0.000 0.836 827 E HN 0.350 nan 8.360 nan 0.000 0.520 828 K N -0.210 120.185 120.400 -0.009 0.000 2.402 828 K HA 0.236 4.561 4.320 0.008 0.000 0.204 828 K C 0.248 176.853 176.600 0.008 0.000 1.056 828 K CA -0.084 56.199 56.287 -0.006 0.000 1.069 828 K CB 0.915 33.402 32.500 -0.020 0.000 0.888 828 K HN -0.043 nan 8.250 nan 0.000 0.546 829 A N 1.095 123.927 122.820 0.020 0.000 2.580 829 A HA 0.338 4.662 4.320 0.008 0.000 0.244 829 A C 1.255 178.854 177.584 0.025 0.000 1.045 829 A CA 1.425 53.480 52.037 0.030 0.000 0.761 829 A CB -0.550 18.477 19.000 0.045 0.000 0.962 829 A HN 0.585 nan 8.150 nan 0.000 0.512 830 G N 1.570 110.384 108.800 0.024 0.000 2.157 830 G HA2 -0.019 3.946 3.960 0.008 0.000 0.239 830 G HA3 -0.019 3.946 3.960 0.008 0.000 0.239 830 G C 0.410 175.320 174.900 0.017 0.000 0.982 830 G CA 0.850 45.962 45.100 0.020 0.000 0.650 830 G HN 2.515 nan 8.290 nan 0.000 0.527 831 T N -2.702 111.862 114.554 0.017 0.000 2.778 831 T HA 0.752 5.106 4.350 0.008 0.000 0.293 831 T C -0.427 174.285 174.700 0.019 0.000 1.144 831 T CA 0.186 62.296 62.100 0.016 0.000 1.010 831 T CB 1.976 70.850 68.868 0.010 0.000 1.325 831 T HN 0.617 nan 8.240 nan 0.000 0.515 832 S N 0.358 116.070 115.700 0.020 0.000 2.437 832 S HA 0.795 5.269 4.470 0.008 0.000 0.305 832 S C -0.261 174.345 174.600 0.011 0.000 1.109 832 S CA -0.687 57.528 58.200 0.025 0.000 1.099 832 S CB 0.922 64.146 63.200 0.041 0.000 1.004 832 S HN 1.089 nan 8.310 nan 0.000 0.475 833 A N 2.706 125.526 122.820 0.001 0.000 2.380 833 A HA 0.730 5.054 4.320 0.008 0.000 0.315 833 A C -0.192 177.374 177.584 -0.031 0.000 1.101 833 A CA -0.928 51.099 52.037 -0.017 0.000 0.771 833 A CB 0.930 19.914 19.000 -0.027 0.000 1.287 833 A HN 0.813 nan 8.150 nan 0.000 0.436 834 R N 1.319 121.796 120.500 -0.038 0.000 2.442 834 R HA 0.476 4.820 4.340 0.008 0.000 0.291 834 R C -1.273 174.986 176.300 -0.068 0.000 1.069 834 R CA 0.171 56.237 56.100 -0.055 0.000 1.022 834 R CB 0.070 30.343 30.300 -0.045 0.000 0.976 834 R HN 0.603 nan 8.270 nan 0.000 0.443 835 I N 4.630 125.145 120.570 -0.091 0.000 2.439 835 I HA 0.270 4.445 4.170 0.008 0.000 0.285 835 I C -0.381 175.682 176.117 -0.090 0.000 1.021 835 I CA -1.124 60.122 61.300 -0.089 0.000 1.091 835 I CB 1.808 39.752 38.000 -0.094 0.000 1.242 835 I HN 0.516 nan 8.210 nan 0.000 0.439 836 R N 6.807 127.269 120.500 -0.063 0.000 2.234 836 R HA 0.597 4.942 4.340 0.008 0.000 0.324 836 R C -1.444 174.840 176.300 -0.027 0.000 1.054 836 R CA 0.102 56.175 56.100 -0.046 0.000 0.912 836 R CB 0.357 30.639 30.300 -0.030 0.000 1.030 836 R HN 0.575 nan 8.270 nan 0.000 0.455 837 L N 2.375 123.593 121.223 -0.009 0.000 2.319 837 L HA 0.583 4.928 4.340 0.008 0.000 0.267 837 L C -0.428 176.518 176.870 0.127 0.000 1.011 837 L CA -0.878 54.003 54.840 0.068 0.000 0.818 837 L CB 2.465 44.553 42.059 0.048 0.000 1.316 837 L HN 0.622 nan 8.230 nan 0.000 0.432 838 S N 0.223 116.020 115.700 0.162 0.000 2.779 838 S HA 0.594 5.069 4.470 0.008 0.000 0.293 838 S C 0.068 174.545 174.600 -0.205 0.000 1.150 838 S CA -0.634 57.573 58.200 0.012 0.000 1.057 838 S CB 1.737 64.884 63.200 -0.088 0.000 1.021 838 S HN 0.825 nan 8.310 nan 0.000 0.485 839 G N 1.611 110.094 108.800 -0.528 0.000 2.641 839 G HA2 0.565 4.530 3.960 0.008 0.000 0.239 839 G HA3 0.565 4.530 3.960 0.008 0.000 0.239 839 G C -0.375 174.217 174.900 -0.513 0.000 1.402 839 G CA -0.625 43.763 45.100 -1.186 0.000 1.046 839 G HN 0.484 nan 8.290 nan 0.000 0.565 840 K N -0.073 120.072 120.400 -0.424 0.000 2.401 840 K HA 0.483 4.808 4.320 0.008 0.000 0.278 840 K C 0.977 177.486 176.600 -0.151 0.000 1.018 840 K CA 1.405 57.563 56.287 -0.216 0.000 0.981 840 K CB 0.247 32.656 32.500 -0.151 0.000 0.933 840 K HN 1.404 nan 8.250 nan 0.000 0.477 841 G N 2.957 111.693 108.800 -0.107 0.000 2.514 841 G HA2 -0.254 3.711 3.960 0.008 0.000 0.265 841 G HA3 -0.254 3.711 3.960 0.008 0.000 0.265 841 G C 0.497 175.353 174.900 -0.073 0.000 1.150 841 G CA -0.085 44.971 45.100 -0.074 0.000 0.959 841 G HN 1.025 nan 8.290 nan 0.000 0.556 842 G N -0.014 108.754 108.800 -0.053 0.000 3.707 842 G HA2 0.426 4.391 3.960 0.008 0.000 0.286 842 G HA3 0.426 4.391 3.960 0.008 0.000 0.286 842 G C 0.050 174.930 174.900 -0.033 0.000 1.112 842 G CA 0.993 46.067 45.100 -0.042 0.000 0.861 842 G HN 0.664 nan 8.290 nan 0.000 0.534 843 D N 1.817 122.189 120.400 -0.047 0.000 2.357 843 D HA 0.120 4.764 4.640 0.008 0.000 0.265 843 D C 0.051 176.370 176.300 0.032 0.000 1.334 843 D CA 0.333 54.330 54.000 -0.004 0.000 0.984 843 D CB 0.418 41.203 40.800 -0.025 0.000 1.077 843 D HN -0.004 nan 8.370 nan 0.000 0.514 844 K N 3.905 124.327 120.400 0.035 0.000 2.206 844 K HA 0.446 4.771 4.320 0.008 0.000 0.264 844 K C 0.224 176.849 176.600 0.041 0.000 0.967 844 K CA -0.738 55.570 56.287 0.034 0.000 0.844 844 K CB 1.920 34.422 32.500 0.003 0.000 1.099 844 K HN 0.267 nan 8.250 nan 0.000 0.441 845 R N 1.365 121.887 120.500 0.036 0.000 2.750 845 R HA 0.360 4.705 4.340 0.008 0.000 0.281 845 R C -0.954 175.307 176.300 -0.066 0.000 0.972 845 R CA -0.786 55.300 56.100 -0.022 0.000 0.912 845 R CB 1.630 31.898 30.300 -0.053 0.000 1.187 845 R HN 0.531 nan 8.270 nan 0.000 0.464 846 D N 3.348 123.686 120.400 -0.104 0.000 2.358 846 D HA 0.348 4.993 4.640 0.008 0.000 0.253 846 D C -0.982 175.199 176.300 -0.198 0.000 1.288 846 D CA -0.309 53.621 54.000 -0.117 0.000 0.950 846 D CB 0.526 41.284 40.800 -0.070 0.000 1.197 846 D HN 0.388 nan 8.370 nan 0.000 0.550 847 L N 0.855 121.905 121.223 -0.288 0.000 2.323 847 L HA 0.602 4.946 4.340 0.008 0.000 0.265 847 L C 0.291 176.976 176.870 -0.310 0.000 1.012 847 L CA -1.057 53.477 54.840 -0.509 0.000 0.820 847 L CB 2.096 43.587 42.059 -0.948 0.000 1.334 847 L HN 0.072 nan 8.230 nan 0.000 0.427 848 M N 3.404 122.870 119.600 -0.224 0.000 2.589 848 M HA 0.360 4.845 4.480 0.008 0.000 0.340 848 M C -0.579 175.763 176.300 0.069 0.000 1.308 848 M CA -0.424 54.864 55.300 -0.019 0.000 1.332 848 M CB 0.177 32.820 32.600 0.071 0.000 1.219 848 M HN 0.339 nan 8.290 nan 0.000 0.467 849 I N 1.876 122.453 120.570 0.011 0.000 2.519 849 I HA 0.161 4.336 4.170 0.008 0.000 0.287 849 I C 0.383 176.543 176.117 0.072 0.000 1.047 849 I CA -0.415 60.929 61.300 0.073 0.000 1.381 849 I CB 0.639 38.648 38.000 0.016 0.000 1.417 849 I HN 0.372 nan 8.210 nan 0.000 0.540 850 D N 5.477 125.932 120.400 0.091 0.000 2.317 850 D HA 0.232 4.876 4.640 0.008 0.000 0.252 850 D C 0.104 176.435 176.300 0.052 0.000 1.174 850 D CA -0.140 53.899 54.000 0.065 0.000 0.866 850 D CB 1.038 41.877 40.800 0.066 0.000 1.127 850 D HN 0.096 nan 8.370 nan 0.000 0.467 851 I N 4.020 124.613 120.570 0.037 0.000 2.291 851 I HA 0.120 4.295 4.170 0.008 0.000 0.292 851 I C 0.607 176.745 176.117 0.036 0.000 1.064 851 I CA -0.400 60.920 61.300 0.035 0.000 1.269 851 I CB -0.262 37.751 38.000 0.022 0.000 1.418 851 I HN 0.155 nan 8.210 nan 0.000 0.485 852 L N 5.177 126.424 121.223 0.040 0.000 2.452 852 L HA 0.178 4.522 4.340 0.008 0.000 0.267 852 L C 1.415 178.304 176.870 0.033 0.000 1.188 852 L CA -0.216 54.644 54.840 0.034 0.000 0.821 852 L CB 0.774 42.853 42.059 0.033 0.000 1.102 852 L HN 0.502 nan 8.230 nan 0.000 0.470 853 D N 0.065 120.482 120.400 0.027 0.000 2.289 853 D HA -0.033 4.612 4.640 0.008 0.000 0.207 853 D C -0.100 176.214 176.300 0.023 0.000 0.966 853 D CA 1.081 55.098 54.000 0.029 0.000 0.868 853 D CB 0.509 41.324 40.800 0.025 0.000 0.943 853 D HN 0.614 nan 8.370 nan 0.000 0.514 854 D N -0.675 119.733 120.400 0.012 0.000 2.717 854 D HA 0.054 4.698 4.640 0.008 0.000 0.223 854 D C -1.483 174.808 176.300 -0.014 0.000 1.240 854 D CA -0.601 53.395 54.000 -0.007 0.000 0.801 854 D CB 1.464 42.257 40.800 -0.011 0.000 1.556 854 D HN -0.183 nan 8.370 nan 0.000 0.462 855 D N 1.822 122.192 120.400 -0.050 0.000 2.692 855 D HA 0.099 4.743 4.640 0.008 0.000 0.290 855 D C 1.146 177.371 176.300 -0.125 0.000 1.455 855 D CA -0.348 53.612 54.000 -0.067 0.000 0.796 855 D CB 0.197 40.942 40.800 -0.092 0.000 1.131 855 D HN 0.280 nan 8.370 nan 0.000 0.467 856 R N 0.085 120.524 120.500 -0.103 0.000 2.070 856 R HA -0.050 4.295 4.340 0.008 0.000 0.233 856 R C 1.561 177.806 176.300 -0.092 0.000 1.137 856 R CA 1.347 57.359 56.100 -0.148 0.000 0.945 856 R CB -0.991 29.231 30.300 -0.130 0.000 0.845 856 R HN 0.159 nan 8.270 nan 0.000 0.430 857 F N 0.788 120.663 119.950 -0.125 0.000 2.126 857 F HA -0.103 4.429 4.527 0.008 0.000 0.299 857 F C 1.795 177.582 175.800 -0.021 0.000 1.096 857 F CA 1.592 59.561 58.000 -0.051 0.000 1.255 857 F CB -0.217 38.752 39.000 -0.052 0.000 0.997 857 F HN 0.050 nan 8.300 nan 0.000 0.479 858 I N -0.121 120.400 120.570 -0.082 0.000 2.179 858 I HA -0.320 3.854 4.170 0.008 0.000 0.242 858 I C 2.535 178.520 176.117 -0.220 0.000 1.088 858 I CA 1.459 62.664 61.300 -0.158 0.000 1.357 858 I CB -0.589 37.379 38.000 -0.054 0.000 1.051 858 I HN 0.037 nan 8.210 nan 0.000 0.409 859 R N -0.158 120.171 120.500 -0.285 0.000 2.091 859 R HA -0.250 4.095 4.340 0.008 0.000 0.238 859 R C 2.422 178.578 176.300 -0.239 0.000 1.136 859 R CA 2.077 57.960 56.100 -0.363 0.000 0.959 859 R CB -0.697 29.268 30.300 -0.559 0.000 0.856 859 R HN 0.360 nan 8.270 nan 0.000 0.437 860 Y N 1.528 121.574 120.300 -0.423 0.000 2.097 860 Y HA -0.234 4.321 4.550 0.008 0.000 0.282 860 Y C 2.234 177.976 175.900 -0.263 0.000 1.152 860 Y CA 1.511 59.336 58.100 -0.459 0.000 1.136 860 Y CB -0.030 38.099 38.460 -0.551 0.000 0.975 860 Y HN -0.151 nan 8.280 nan 0.000 0.498 861 R N -0.089 120.047 120.500 -0.606 0.000 2.096 861 R HA -0.155 4.189 4.340 0.008 0.000 0.235 861 R C 2.680 178.774 176.300 -0.342 0.000 1.127 861 R CA 1.229 56.995 56.100 -0.556 0.000 0.968 861 R CB -1.279 28.680 30.300 -0.568 0.000 0.861 861 R HN 0.416 nan 8.270 nan 0.000 0.440 862 S N 0.027 115.591 115.700 -0.227 0.000 2.356 862 S HA -0.187 4.287 4.470 0.008 0.000 0.223 862 S C 1.700 176.252 174.600 -0.081 0.000 1.032 862 S CA 1.309 59.442 58.200 -0.111 0.000 1.005 862 S CB -0.309 62.940 63.200 0.081 0.000 0.867 862 S HN 0.550 nan 8.310 nan 0.000 0.449 863 W N 1.745 122.892 121.300 -0.256 0.000 2.335 863 W HA -0.125 4.539 4.660 0.008 0.000 0.311 863 W C 1.991 178.357 176.519 -0.254 0.000 1.213 863 W CA 1.688 58.893 57.345 -0.233 0.000 1.274 863 W CB -0.713 28.590 29.460 -0.262 0.000 1.148 863 W HN 0.115 nan 8.180 nan 0.000 0.498 864 V N 1.082 120.855 119.914 -0.234 0.000 2.261 864 V HA -0.293 3.831 4.120 0.008 0.000 0.246 864 V C 2.436 178.378 176.094 -0.253 0.000 1.047 864 V CA 2.328 64.453 62.300 -0.292 0.000 1.015 864 V CB -0.992 30.680 31.823 -0.251 0.000 0.642 864 V HN 0.090 nan 8.190 nan 0.000 0.446 865 E N 0.254 120.323 120.200 -0.219 0.000 2.160 865 E HA -0.200 4.155 4.350 0.008 0.000 0.195 865 E C 2.276 178.745 176.600 -0.219 0.000 0.991 865 E CA 1.471 57.763 56.400 -0.181 0.000 0.810 865 E CB -0.509 29.090 29.700 -0.168 0.000 0.742 865 E HN 0.597 nan 8.360 nan 0.000 0.466 866 A N 1.688 124.348 122.820 -0.267 0.000 1.855 866 A HA -0.188 4.136 4.320 0.008 0.000 0.215 866 A C 1.973 179.341 177.584 -0.360 0.000 1.191 866 A CA 1.575 53.450 52.037 -0.271 0.000 0.613 866 A CB -0.790 18.051 19.000 -0.265 0.000 0.829 866 A HN 0.298 nan 8.150 nan 0.000 0.442 867 N N -0.979 117.369 118.700 -0.586 0.000 2.166 867 N HA -0.187 4.558 4.740 0.008 0.000 0.186 867 N C 2.064 177.145 175.510 -0.714 0.000 1.019 867 N CA 1.075 53.669 53.050 -0.760 0.000 0.856 867 N CB -0.168 37.563 38.487 -1.258 0.000 0.993 867 N HN 0.499 nan 8.380 nan 0.000 0.426 868 R N 1.723 121.915 120.500 -0.514 0.000 2.070 868 R HA -0.066 4.279 4.340 0.008 0.000 0.233 868 R C 2.234 178.204 176.300 -0.550 0.000 1.137 868 R CA 1.324 57.159 56.100 -0.442 0.000 0.945 868 R CB 0.017 30.185 30.300 -0.220 0.000 0.845 868 R HN 0.181 nan 8.270 nan 0.000 0.430 869 R N -0.874 119.444 120.500 -0.303 0.000 2.083 869 R HA -0.221 4.124 4.340 0.008 0.000 0.237 869 R C 2.314 178.534 176.300 -0.134 0.000 1.137 869 R CA 1.952 57.957 56.100 -0.157 0.000 0.951 869 R CB -0.706 29.552 30.300 -0.069 0.000 0.851 869 R HN 0.321 nan 8.270 nan 0.000 0.434 870 Y N 1.452 121.583 120.300 -0.281 0.000 2.081 870 Y HA -0.292 4.262 4.550 0.008 0.000 0.280 870 Y C 2.186 177.945 175.900 -0.234 0.000 1.163 870 Y CA 1.596 59.550 58.100 -0.243 0.000 1.135 870 Y CB -0.512 37.774 38.460 -0.290 0.000 0.970 870 Y HN -0.218 nan 8.280 nan 0.000 0.498 871 V N 0.109 119.813 119.914 -0.351 0.000 2.332 871 V HA -0.347 3.778 4.120 0.008 0.000 0.248 871 V C 2.396 178.342 176.094 -0.247 0.000 1.055 871 V CA 2.295 64.378 62.300 -0.362 0.000 1.038 871 V CB -0.851 30.768 31.823 -0.340 0.000 0.651 871 V HN 0.485 nan 8.190 nan 0.000 0.450 872 H N 0.601 119.526 119.070 -0.242 0.000 2.293 872 H HA -0.126 4.434 4.556 0.008 0.000 0.300 872 H C 2.390 177.615 175.328 -0.171 0.000 1.082 872 H CA 1.903 57.829 56.048 -0.204 0.000 1.308 872 H CB -0.409 29.269 29.762 -0.140 0.000 1.375 872 H HN 0.565 nan 8.280 nan 0.000 0.495 873 E N 0.364 120.536 120.200 -0.047 0.000 2.038 873 E HA -0.177 4.178 4.350 0.008 0.000 0.195 873 E C 2.420 178.920 176.600 -0.167 0.000 1.000 873 E CA 0.955 57.297 56.400 -0.096 0.000 0.803 873 E CB -0.035 29.606 29.700 -0.098 0.000 0.750 873 E HN 0.262 nan 8.360 nan 0.000 0.448 874 R N 0.877 121.188 120.500 -0.316 0.000 2.092 874 R HA -0.087 4.258 4.340 0.008 0.000 0.231 874 R C 1.975 178.156 176.300 -0.199 0.000 1.119 874 R CA 1.560 57.466 56.100 -0.324 0.000 0.970 874 R CB -0.044 29.912 30.300 -0.574 0.000 0.864 874 R HN 0.174 nan 8.270 nan 0.000 0.440 875 S N 0.229 115.829 115.700 -0.167 0.000 2.671 875 S HA 0.115 4.590 4.470 0.008 0.000 0.220 875 S C 0.080 174.647 174.600 -0.055 0.000 0.951 875 S CA -0.231 57.910 58.200 -0.098 0.000 0.932 875 S CB 0.303 63.455 63.200 -0.080 0.000 0.777 875 S HN 0.186 nan 8.310 nan 0.000 0.508 876 K N 0.664 121.028 120.400 -0.060 0.000 3.035 876 K HA -0.178 4.146 4.320 0.008 0.000 0.262 876 K C 0.863 177.459 176.600 -0.006 0.000 1.024 876 K CA 0.702 56.969 56.287 -0.033 0.000 0.748 876 K CB -2.492 29.991 32.500 -0.029 0.000 1.247 876 K HN 1.290 nan 8.250 nan 0.000 0.482 877 G N -0.369 108.433 108.800 0.003 0.000 2.198 877 G HA2 -0.369 3.595 3.960 0.008 0.000 0.260 877 G HA3 -0.369 3.595 3.960 0.008 0.000 0.260 877 G C 0.542 175.527 174.900 0.142 0.000 1.025 877 G CA 1.462 46.590 45.100 0.046 0.000 0.769 877 G HN 0.758 nan 8.290 nan 0.000 0.507 878 T N -2.601 112.011 114.554 0.096 0.000 3.040 878 T HA 0.642 4.996 4.350 0.008 0.000 0.266 878 T C 0.625 175.411 174.700 0.143 0.000 1.005 878 T CA 0.235 62.423 62.100 0.147 0.000 0.906 878 T CB 0.463 69.370 68.868 0.065 0.000 1.082 878 T HN 0.529 nan 8.240 nan 0.000 0.531 879 I N 1.322 121.893 120.570 0.003 0.000 2.533 879 I HA 0.627 4.802 4.170 0.008 0.000 0.290 879 I C 0.469 176.388 176.117 -0.329 0.000 1.056 879 I CA -1.409 59.848 61.300 -0.070 0.000 1.057 879 I CB 2.228 40.205 38.000 -0.037 0.000 1.240 879 I HN 0.207 nan 8.210 nan 0.000 0.423 880 G N 3.683 112.311 108.800 -0.286 0.000 2.502 880 G HA2 0.505 4.469 3.960 0.008 0.000 0.305 880 G HA3 0.505 4.469 3.960 0.008 0.000 0.305 880 G C -1.947 172.942 174.900 -0.020 0.000 1.190 880 G CA -0.157 44.764 45.100 -0.298 0.000 0.933 880 G HN 0.505 nan 8.290 nan 0.000 0.503 881 Y N -0.475 119.727 120.300 -0.165 0.000 2.504 881 Y HA 0.705 5.259 4.550 0.008 0.000 0.344 881 Y C -0.871 174.992 175.900 -0.060 0.000 1.023 881 Y CA -1.204 56.821 58.100 -0.124 0.000 1.020 881 Y CB 1.722 40.048 38.460 -0.223 0.000 1.282 881 Y HN 0.457 nan 8.280 nan 0.000 0.454 882 I N 5.474 125.567 120.570 -0.794 0.000 2.827 882 I HA 0.304 4.479 4.170 0.008 0.000 0.298 882 I C -1.621 174.113 176.117 -0.638 0.000 1.235 882 I CA -0.880 60.098 61.300 -0.537 0.000 1.021 882 I CB 2.600 40.452 38.000 -0.246 0.000 1.259 882 I HN 0.648 nan 8.210 nan 0.000 0.427 883 H N 6.149 125.012 119.070 -0.346 0.000 2.759 883 H HA 0.531 5.092 4.556 0.008 0.000 0.354 883 H C -1.748 173.664 175.328 0.140 0.000 1.074 883 H CA -0.562 55.444 56.048 -0.069 0.000 1.226 883 H CB 2.106 31.978 29.762 0.184 0.000 1.648 883 H HN 0.475 nan 8.280 nan 0.000 0.529 884 I N 8.418 128.682 120.570 -0.510 0.000 2.337 884 I HA 0.182 4.357 4.170 0.008 0.000 0.285 884 I C -1.496 174.437 176.117 -0.308 0.000 1.041 884 I CA -1.998 59.133 61.300 -0.280 0.000 1.199 884 I CB 1.746 39.551 38.000 -0.325 0.000 1.370 884 I HN 0.435 nan 8.210 nan 0.000 0.470 885 P HA -0.137 nan 4.420 nan 0.000 0.216 885 P C -0.202 177.150 177.300 0.087 0.000 1.150 885 P CA 1.603 64.848 63.100 0.242 0.000 0.837 885 P CB 0.160 31.883 31.700 0.038 0.000 0.786 886 D N -2.927 117.483 120.400 0.017 0.000 2.851 886 D HA 0.169 4.814 4.640 0.008 0.000 0.339 886 D C -0.138 176.129 176.300 -0.055 0.000 1.347 886 D CA -0.590 53.417 54.000 0.011 0.000 0.888 886 D CB -0.258 40.597 40.800 0.091 0.000 1.431 886 D HN -0.316 nan 8.370 nan 0.000 0.509 887 M N 0.640 120.211 119.600 -0.049 0.000 2.869 887 M HA 0.496 4.981 4.480 0.008 0.000 0.338 887 M C 0.411 176.553 176.300 -0.264 0.000 1.227 887 M CA -0.276 54.929 55.300 -0.157 0.000 0.946 887 M CB 0.066 32.591 32.600 -0.126 0.000 1.299 887 M HN 0.603 nan 8.290 nan 0.000 0.518 888 G N -0.047 108.632 108.800 -0.202 0.000 3.135 888 G HA2 0.483 4.448 3.960 0.008 0.000 0.159 888 G HA3 0.483 4.448 3.960 0.008 0.000 0.159 888 G C 0.817 175.412 174.900 -0.508 0.000 1.244 888 G CA -0.270 44.522 45.100 -0.514 0.000 0.965 888 G HN 0.103 nan 8.290 nan 0.000 0.599 889 M N -0.109 119.097 119.600 -0.656 0.000 2.132 889 M HA 0.052 4.537 4.480 0.008 0.000 0.263 889 M C 2.449 178.832 176.300 0.138 0.000 1.065 889 M CA 1.233 56.400 55.300 -0.221 0.000 1.122 889 M CB -1.149 31.347 32.600 -0.173 0.000 1.365 889 M HN 0.575 nan 8.290 nan 0.000 0.411 890 M N 0.045 119.840 119.600 0.325 0.000 2.159 890 M HA -0.110 4.374 4.480 0.008 0.000 0.263 890 M C 1.984 178.403 176.300 0.198 0.000 1.063 890 M CA 1.985 57.481 55.300 0.327 0.000 1.110 890 M CB -0.517 32.204 32.600 0.202 0.000 1.374 890 M HN 0.302 nan 8.290 nan 0.000 0.411 891 G N 0.653 109.512 108.800 0.099 0.000 2.440 891 G HA2 -0.222 3.743 3.960 0.008 0.000 0.218 891 G HA3 -0.222 3.743 3.960 0.008 0.000 0.218 891 G C 1.267 176.196 174.900 0.048 0.000 1.154 891 G CA 0.676 45.795 45.100 0.033 0.000 0.767 891 G HN 0.374 nan 8.290 nan 0.000 0.552 892 L N 1.143 122.382 121.223 0.026 0.000 2.046 892 L HA -0.018 4.326 4.340 0.008 0.000 0.208 892 L C 2.551 179.582 176.870 0.267 0.000 1.077 892 L CA 1.318 56.226 54.840 0.114 0.000 0.747 892 L CB -0.718 41.384 42.059 0.072 0.000 0.896 892 L HN 0.144 nan 8.230 nan 0.000 0.432 893 N N -0.394 118.444 118.700 0.231 0.000 2.039 893 N HA -0.168 4.576 4.740 0.008 0.000 0.193 893 N C 1.663 177.329 175.510 0.261 0.000 1.044 893 N CA 1.331 54.532 53.050 0.251 0.000 0.847 893 N CB -0.228 38.399 38.487 0.232 0.000 1.030 893 N HN 0.321 nan 8.380 nan 0.000 0.422 894 E N 0.444 120.804 120.200 0.267 0.000 2.110 894 E HA -0.125 4.229 4.350 0.008 0.000 0.193 894 E C 1.842 178.551 176.600 0.182 0.000 0.988 894 E CA 0.366 56.931 56.400 0.275 0.000 0.804 894 E CB -0.589 29.337 29.700 0.376 0.000 0.745 894 E HN 0.403 nan 8.360 nan 0.000 0.458 895 F N 0.545 120.490 119.950 -0.008 0.000 2.084 895 F HA -0.225 4.307 4.527 0.008 0.000 0.296 895 F C 2.087 177.813 175.800 -0.123 0.000 1.111 895 F CA 1.446 59.348 58.000 -0.163 0.000 1.224 895 F CB -0.429 38.326 39.000 -0.407 0.000 0.991 895 F HN -0.056 nan 8.300 nan 0.000 0.471 896 Y N 0.071 120.451 120.300 0.134 0.000 2.352 896 Y HA -0.113 4.441 4.550 0.008 0.000 0.292 896 Y C 2.611 178.539 175.900 0.046 0.000 1.136 896 Y CA 1.223 59.364 58.100 0.068 0.000 1.227 896 Y CB -0.535 38.019 38.460 0.157 0.000 0.991 896 Y HN 0.035 nan 8.280 nan 0.000 0.545 897 R N 0.044 120.655 120.500 0.185 0.000 2.117 897 R HA -0.204 4.141 4.340 0.008 0.000 0.243 897 R C 1.189 177.536 176.300 0.077 0.000 1.143 897 R CA 1.676 57.858 56.100 0.137 0.000 0.968 897 R CB -0.190 30.200 30.300 0.149 0.000 0.863 897 R HN 0.292 nan 8.270 nan 0.000 0.444 898 L N -1.493 119.738 121.223 0.015 0.000 2.467 898 L HA 0.106 4.450 4.340 0.008 0.000 0.213 898 L C 1.667 178.504 176.870 -0.056 0.000 1.053 898 L CA 0.584 55.414 54.840 -0.018 0.000 0.847 898 L CB -0.579 41.452 42.059 -0.047 0.000 1.075 898 L HN 0.070 nan 8.230 nan 0.000 0.479 899 F N 1.799 121.535 119.950 -0.357 0.000 2.147 899 F HA -0.270 4.262 4.527 0.008 0.000 0.301 899 F C 2.212 177.945 175.800 -0.112 0.000 1.084 899 F CA 2.062 59.824 58.000 -0.397 0.000 1.268 899 F CB -0.226 38.262 39.000 -0.853 0.000 1.009 899 F HN 0.186 nan 8.300 nan 0.000 0.486 900 I N -2.000 118.558 120.570 -0.019 0.000 3.083 900 I HA -0.127 4.048 4.170 0.008 0.000 0.273 900 I C 0.919 176.979 176.117 -0.095 0.000 1.297 900 I CA 1.307 62.572 61.300 -0.057 0.000 1.452 900 I CB -0.516 37.532 38.000 0.080 0.000 1.078 900 I HN 0.148 nan 8.210 nan 0.000 0.484 901 N N 0.434 119.095 118.700 -0.066 0.000 2.168 901 N HA 0.071 4.816 4.740 0.008 0.000 0.216 901 N C 1.013 176.580 175.510 0.094 0.000 1.259 901 N CA 0.194 53.245 53.050 0.003 0.000 0.902 901 N CB 0.569 39.091 38.487 0.060 0.000 1.079 901 N HN 0.413 nan 8.380 nan 0.000 0.507 902 E N 0.196 120.431 120.200 0.059 0.000 2.490 902 E HA 0.101 4.456 4.350 0.008 0.000 0.209 902 E C 1.427 178.126 176.600 0.165 0.000 0.971 902 E CA 0.201 56.742 56.400 0.235 0.000 0.988 902 E CB 0.362 30.126 29.700 0.107 0.000 1.029 902 E HN 0.218 nan 8.360 nan 0.000 0.496 903 S N 0.333 115.943 115.700 -0.151 0.000 2.447 903 S HA -0.018 4.457 4.470 0.008 0.000 0.233 903 S C 1.683 176.242 174.600 -0.068 0.000 1.006 903 S CA 0.639 58.696 58.200 -0.238 0.000 0.957 903 S CB -0.082 62.611 63.200 -0.846 0.000 0.773 903 S HN -0.076 nan 8.310 nan 0.000 0.507 904 S N 0.823 116.485 115.700 -0.062 0.000 2.573 904 S HA 0.410 4.884 4.470 0.008 0.000 0.244 904 S C -0.634 173.898 174.600 -0.113 0.000 0.984 904 S CA -0.659 57.494 58.200 -0.078 0.000 1.001 904 S CB -0.264 62.858 63.200 -0.129 0.000 0.788 904 S HN 0.511 nan 8.310 nan 0.000 0.456 905 Y N 1.742 122.035 120.300 -0.011 0.000 2.392 905 Y HA 0.242 4.796 4.550 0.008 0.000 0.323 905 Y C 1.878 177.789 175.900 0.020 0.000 1.291 905 Y CA -0.642 57.459 58.100 0.001 0.000 1.345 905 Y CB 0.526 38.997 38.460 0.018 0.000 1.320 905 Y HN 0.025 nan 8.280 nan 0.000 0.518 906 Q N 0.621 120.542 119.800 0.201 0.000 2.135 906 Q HA -0.029 4.316 4.340 0.008 0.000 0.204 906 Q C 0.448 176.522 176.000 0.123 0.000 0.981 906 Q CA 1.281 57.157 55.803 0.122 0.000 0.856 906 Q CB -0.053 28.740 28.738 0.091 0.000 0.902 906 Q HN 0.830 nan 8.270 nan 0.000 0.425 907 G N -0.303 108.584 108.800 0.144 0.000 2.605 907 G HA2 0.563 4.528 3.960 0.008 0.000 0.296 907 G HA3 0.563 4.528 3.960 0.008 0.000 0.296 907 G C -2.025 172.951 174.900 0.127 0.000 1.304 907 G CA -0.521 44.649 45.100 0.116 0.000 0.941 907 G HN 0.027 nan 8.290 nan 0.000 0.475 908 L N 0.127 121.426 121.223 0.127 0.000 2.455 908 L HA 0.695 5.039 4.340 0.008 0.000 0.264 908 L C -1.199 175.752 176.870 0.135 0.000 0.968 908 L CA -0.725 54.193 54.840 0.130 0.000 0.827 908 L CB 1.934 44.091 42.059 0.163 0.000 1.317 908 L HN 0.471 nan 8.230 nan 0.000 0.407 909 I N 5.405 126.050 120.570 0.125 0.000 2.330 909 I HA 0.388 4.562 4.170 0.008 0.000 0.289 909 I C -0.694 175.458 176.117 0.059 0.000 1.001 909 I CA -0.851 60.533 61.300 0.141 0.000 1.193 909 I CB 1.806 39.955 38.000 0.247 0.000 1.345 909 I HN 0.262 nan 8.210 nan 0.000 0.461 910 V N 5.419 125.360 119.914 0.045 0.000 2.304 910 V HA 0.145 4.269 4.120 0.008 0.000 0.269 910 V C -0.108 175.954 176.094 -0.053 0.000 1.036 910 V CA -0.421 61.871 62.300 -0.014 0.000 0.840 910 V CB 1.105 32.973 31.823 0.076 0.000 1.036 910 V HN 0.601 nan 8.190 nan 0.000 0.466 911 D N 4.337 124.692 120.400 -0.075 0.000 2.316 911 D HA 0.228 4.872 4.640 0.008 0.000 0.245 911 D C 0.572 176.837 176.300 -0.059 0.000 1.171 911 D CA -0.188 53.861 54.000 0.082 0.000 0.856 911 D CB 1.849 42.872 40.800 0.372 0.000 1.090 911 D HN 0.404 nan 8.370 nan 0.000 0.476 912 V N 1.801 121.667 119.914 -0.080 0.000 3.085 912 V HA 0.401 4.525 4.120 0.008 0.000 0.345 912 V C 0.729 176.774 176.094 -0.083 0.000 1.397 912 V CA -0.707 61.464 62.300 -0.215 0.000 1.165 912 V CB -0.672 30.959 31.823 -0.320 0.000 1.153 912 V HN 0.262 nan 8.190 nan 0.000 0.495 913 R N 0.476 121.005 120.500 0.049 0.000 2.623 913 R HA 0.386 4.731 4.340 0.008 0.000 0.271 913 R C 0.175 176.438 176.300 -0.062 0.000 1.043 913 R CA 0.494 56.537 56.100 -0.094 0.000 1.083 913 R CB -0.083 30.146 30.300 -0.119 0.000 0.974 913 R HN 0.481 nan 8.270 nan 0.000 0.436 914 F N -1.308 118.604 119.950 -0.063 0.000 2.840 914 F HA -0.321 4.211 4.527 0.008 0.000 0.310 914 F C 0.628 176.391 175.800 -0.062 0.000 0.688 914 F CA 0.257 58.167 58.000 -0.152 0.000 1.286 914 F CB -1.272 37.296 39.000 -0.720 0.000 1.612 914 F HN 0.613 nan 8.300 nan 0.000 0.335 915 N N 1.927 120.672 118.700 0.076 0.000 2.406 915 N HA 0.150 4.894 4.740 0.008 0.000 0.265 915 N C 1.198 176.735 175.510 0.044 0.000 1.203 915 N CA 0.972 54.042 53.050 0.034 0.000 0.945 915 N CB 1.180 39.625 38.487 -0.069 0.000 1.165 915 N HN 0.392 nan 8.380 nan 0.000 0.485 916 G N 2.188 111.019 108.800 0.052 0.000 2.882 916 G HA2 0.233 4.197 3.960 0.008 0.000 0.206 916 G HA3 0.233 4.197 3.960 0.008 0.000 0.206 916 G C 0.863 175.789 174.900 0.044 0.000 1.155 916 G CA 0.432 45.541 45.100 0.016 0.000 0.800 916 G HN 0.980 nan 8.290 nan 0.000 0.524 917 G N -1.523 107.315 108.800 0.064 0.000 2.632 917 G HA2 0.371 4.336 3.960 0.008 0.000 0.224 917 G HA3 0.371 4.336 3.960 0.008 0.000 0.224 917 G C 0.570 175.538 174.900 0.114 0.000 1.341 917 G CA 0.244 45.405 45.100 0.102 0.000 0.880 917 G HN 1.907 nan 8.290 nan 0.000 0.566 918 G N -2.885 106.011 108.800 0.161 0.000 1.930 918 G HA2 0.566 4.531 3.960 0.008 0.000 0.054 918 G HA3 0.566 4.531 3.960 0.008 0.000 0.054 918 G C 0.387 175.452 174.900 0.275 0.000 0.902 918 G CA 1.218 46.459 45.100 0.235 0.000 1.168 918 G HN 2.499 nan 8.290 nan 0.000 0.383 919 F N -0.791 119.163 119.950 0.008 0.000 3.266 919 F HA 0.408 4.940 4.527 0.008 0.000 0.360 919 F C 0.963 176.736 175.800 -0.046 0.000 1.242 919 F CA 0.781 58.767 58.000 -0.023 0.000 0.887 919 F CB -0.395 38.584 39.000 -0.035 0.000 1.656 919 F HN 0.908 nan 8.300 nan 0.000 0.491 920 V N -1.007 118.553 119.914 -0.590 0.000 3.444 920 V HA 0.229 4.353 4.120 0.008 0.000 0.308 920 V C 1.992 177.950 176.094 -0.228 0.000 1.371 920 V CA 0.689 62.717 62.300 -0.453 0.000 1.141 920 V CB -0.702 30.774 31.823 -0.578 0.000 1.037 920 V HN 0.417 nan 8.190 nan 0.000 0.433 921 S N 2.171 117.802 115.700 -0.115 0.000 2.359 921 S HA -0.376 4.099 4.470 0.008 0.000 0.224 921 S C 1.971 176.599 174.600 0.046 0.000 1.035 921 S CA 1.945 60.157 58.200 0.020 0.000 1.018 921 S CB -0.825 62.461 63.200 0.144 0.000 0.876 921 S HN 0.885 nan 8.310 nan 0.000 0.448 922 Q N 1.467 121.287 119.800 0.033 0.000 2.135 922 Q HA -0.087 4.258 4.340 0.008 0.000 0.204 922 Q C 2.251 178.248 176.000 -0.005 0.000 0.981 922 Q CA 1.644 57.472 55.803 0.041 0.000 0.856 922 Q CB -0.842 27.933 28.738 0.061 0.000 0.902 922 Q HN 0.606 nan 8.270 nan 0.000 0.425 923 L N 0.089 121.279 121.223 -0.056 0.000 2.141 923 L HA -0.120 4.224 4.340 0.008 0.000 0.209 923 L C 2.451 179.213 176.870 -0.179 0.000 1.094 923 L CA 0.468 55.259 54.840 -0.082 0.000 0.763 923 L CB -0.439 41.566 42.059 -0.089 0.000 0.908 923 L HN 0.290 nan 8.230 nan 0.000 0.437 924 I N -0.178 120.224 120.570 -0.281 0.000 2.286 924 I HA -0.223 3.951 4.170 0.008 0.000 0.245 924 I C 2.621 178.616 176.117 -0.204 0.000 1.104 924 I CA 1.253 62.241 61.300 -0.520 0.000 1.397 924 I CB -0.662 36.991 38.000 -0.578 0.000 1.072 924 I HN 0.168 nan 8.210 nan 0.000 0.417 925 I N 0.923 121.494 120.570 0.002 0.000 2.208 925 I HA -0.294 3.880 4.170 0.008 0.000 0.245 925 I C 2.528 178.650 176.117 0.009 0.000 1.097 925 I CA 1.370 62.699 61.300 0.049 0.000 1.363 925 I CB -1.054 36.967 38.000 0.034 0.000 1.051 925 I HN 0.392 nan 8.210 nan 0.000 0.413 926 E N 1.032 121.225 120.200 -0.011 0.000 2.070 926 E HA -0.301 4.054 4.350 0.008 0.000 0.197 926 E C 2.092 178.694 176.600 0.004 0.000 1.004 926 E CA 1.779 58.180 56.400 0.002 0.000 0.805 926 E CB 0.144 29.848 29.700 0.005 0.000 0.744 926 E HN 0.208 nan 8.360 nan 0.000 0.451 927 K N 0.323 120.700 120.400 -0.038 0.000 2.025 927 K HA -0.037 4.288 4.320 0.008 0.000 0.207 927 K C 2.062 178.712 176.600 0.084 0.000 1.049 927 K CA 0.976 57.255 56.287 -0.014 0.000 0.933 927 K CB -0.289 32.098 32.500 -0.189 0.000 0.714 927 K HN 0.166 nan 8.250 nan 0.000 0.438 928 L N 0.108 121.389 121.223 0.097 0.000 2.265 928 L HA -0.118 4.227 4.340 0.008 0.000 0.215 928 L C 2.324 179.265 176.870 0.118 0.000 1.117 928 L CA 0.669 55.625 54.840 0.194 0.000 0.782 928 L CB -0.384 41.835 42.059 0.267 0.000 0.914 928 L HN 0.247 nan 8.230 nan 0.000 0.441 929 M N -0.300 119.336 119.600 0.060 0.000 2.175 929 M HA -0.094 4.390 4.480 0.008 0.000 0.264 929 M C 0.582 176.900 176.300 0.031 0.000 1.063 929 M CA 0.839 56.151 55.300 0.021 0.000 1.119 929 M CB -0.816 31.789 32.600 0.009 0.000 1.377 929 M HN 0.320 nan 8.290 nan 0.000 0.415 930 N N 1.980 120.710 118.700 0.049 0.000 2.294 930 N HA -0.082 4.663 4.740 0.008 0.000 0.263 930 N C -0.093 175.437 175.510 0.033 0.000 1.281 930 N CA 0.475 53.546 53.050 0.036 0.000 0.846 930 N CB 0.400 38.917 38.487 0.049 0.000 1.061 930 N HN 0.143 nan 8.380 nan 0.000 0.478 931 K N 2.606 123.012 120.400 0.010 0.000 2.235 931 K HA 0.181 4.506 4.320 0.008 0.000 0.266 931 K C -0.448 176.147 176.600 -0.008 0.000 0.980 931 K CA -0.739 55.555 56.287 0.011 0.000 0.849 931 K CB 0.985 33.494 32.500 0.014 0.000 1.098 931 K HN 0.427 nan 8.250 nan 0.000 0.445 932 R N 5.630 126.122 120.500 -0.013 0.000 2.343 932 R HA 0.100 4.445 4.340 0.008 0.000 0.326 932 R C 0.718 176.999 176.300 -0.033 0.000 1.055 932 R CA 0.163 56.226 56.100 -0.062 0.000 0.961 932 R CB 0.045 30.294 30.300 -0.085 0.000 0.978 932 R HN 0.780 nan 8.270 nan 0.000 0.443 933 I N 0.765 121.337 120.570 0.005 0.000 4.147 933 I HA 0.504 4.679 4.170 0.008 0.000 0.329 933 I C 0.239 176.388 176.117 0.053 0.000 1.424 933 I CA -0.421 60.910 61.300 0.051 0.000 1.127 933 I CB 1.120 39.177 38.000 0.094 0.000 1.128 933 I HN 0.588 nan 8.210 nan 0.000 0.417 934 G N 0.126 108.918 108.800 -0.014 0.000 2.559 934 G HA2 0.593 4.558 3.960 0.008 0.000 0.291 934 G HA3 0.593 4.558 3.960 0.008 0.000 0.291 934 G C -2.302 172.475 174.900 -0.206 0.000 1.424 934 G CA -0.515 44.575 45.100 -0.017 0.000 0.786 934 G HN 0.078 nan 8.290 nan 0.000 0.485 935 Y N -0.853 119.494 120.300 0.077 0.000 2.615 935 Y HA 0.557 5.112 4.550 0.008 0.000 0.341 935 Y C -1.077 174.847 175.900 0.040 0.000 1.089 935 Y CA -0.754 57.388 58.100 0.070 0.000 1.049 935 Y CB 2.857 41.342 38.460 0.042 0.000 1.296 935 Y HN 0.526 nan 8.280 nan 0.000 0.470 936 D N 1.135 121.682 120.400 0.244 0.000 2.308 936 D HA 0.248 4.892 4.640 0.008 0.000 0.242 936 D C -1.472 174.892 176.300 0.106 0.000 1.059 936 D CA -0.478 53.601 54.000 0.131 0.000 0.830 936 D CB 0.902 41.770 40.800 0.114 0.000 1.161 936 D HN 0.514 nan 8.370 nan 0.000 0.494 937 N N 4.070 122.809 118.700 0.064 0.000 2.485 937 N HA 0.389 5.133 4.740 0.008 0.000 0.243 937 N C -2.282 173.243 175.510 0.025 0.000 0.987 937 N CA -1.011 52.061 53.050 0.036 0.000 0.940 937 N CB 1.416 39.916 38.487 0.022 0.000 1.122 937 N HN 0.267 nan 8.380 nan 0.000 0.509 938 P HA 0.290 nan 4.420 nan 0.000 0.290 938 P C 0.376 177.680 177.300 0.007 0.000 1.275 938 P CA -0.539 62.570 63.100 0.016 0.000 0.841 938 P CB 2.034 33.746 31.700 0.019 0.000 1.042 939 R N 2.932 123.435 120.500 0.006 0.000 2.096 939 R HA -0.136 4.209 4.340 0.008 0.000 0.240 939 R C 0.793 177.093 176.300 -0.000 0.000 1.139 939 R CA 1.659 57.760 56.100 0.002 0.000 0.952 939 R CB -0.281 30.021 30.300 0.003 0.000 0.854 939 R HN 0.647 nan 8.270 nan 0.000 0.436 940 R N -0.934 119.567 120.500 0.001 0.000 2.513 940 R HA 0.636 4.981 4.340 0.008 0.000 0.301 940 R C -0.527 175.773 176.300 0.000 0.000 0.968 940 R CA -0.370 55.730 56.100 -0.001 0.000 0.872 940 R CB 1.758 32.057 30.300 -0.001 0.000 1.177 940 R HN 0.295 nan 8.270 nan 0.000 0.444 941 G N 1.098 109.895 108.800 -0.004 0.000 2.331 941 G HA2 0.021 3.986 3.960 0.008 0.000 0.402 941 G HA3 0.021 3.986 3.960 0.008 0.000 0.402 941 G C -0.806 174.088 174.900 -0.009 0.000 1.275 941 G CA -0.430 44.667 45.100 -0.004 0.000 1.003 941 G HN 0.908 nan 8.290 nan 0.000 0.500 942 T N -1.437 113.112 114.554 -0.008 0.000 2.948 942 T HA 0.748 5.102 4.350 0.008 0.000 0.285 942 T C 0.828 175.528 174.700 -0.000 0.000 1.019 942 T CA -0.696 61.393 62.100 -0.018 0.000 1.013 942 T CB 1.378 70.230 68.868 -0.027 0.000 1.117 942 T HN 0.865 nan 8.240 nan 0.000 0.533 943 L N 1.519 122.730 121.223 -0.019 0.000 2.506 943 L HA 0.285 4.629 4.340 0.008 0.000 0.281 943 L C 0.764 177.707 176.870 0.120 0.000 1.228 943 L CA -0.086 54.767 54.840 0.022 0.000 0.850 943 L CB 0.654 42.638 42.059 -0.125 0.000 1.110 943 L HN 0.733 nan 8.230 nan 0.000 0.496 944 S N 3.490 119.320 115.700 0.215 0.000 2.707 944 S HA 0.455 4.929 4.470 0.008 0.000 0.312 944 S C -2.380 172.383 174.600 0.272 0.000 1.116 944 S CA -1.456 56.864 58.200 0.200 0.000 1.078 944 S CB 1.295 64.573 63.200 0.129 0.000 0.997 944 S HN 0.318 nan 8.310 nan 0.000 0.477 945 P HA 0.143 nan 4.420 nan 0.000 0.271 945 P C -1.458 175.805 177.300 -0.062 0.000 1.218 945 P CA -0.249 62.775 63.100 -0.126 0.000 0.780 945 P CB 0.409 32.057 31.700 -0.087 0.000 0.901 946 Y N 3.968 124.107 120.300 -0.267 0.000 2.326 946 Y HA 0.450 5.005 4.550 0.008 0.000 0.329 946 Y C -2.610 173.218 175.900 -0.120 0.000 0.973 946 Y CA -2.654 55.370 58.100 -0.128 0.000 1.162 946 Y CB 1.576 39.979 38.460 -0.096 0.000 1.147 946 Y HN 0.279 nan 8.280 nan 0.000 0.456 947 P HA 0.197 nan 4.420 nan 0.000 0.274 947 P C 0.463 177.653 177.300 -0.183 0.000 1.256 947 P CA -0.008 62.770 63.100 -0.537 0.000 0.795 947 P CB 1.033 32.493 31.700 -0.400 0.000 1.038 948 T N -0.819 113.681 114.554 -0.090 0.000 2.737 948 T HA -0.106 4.248 4.350 0.008 0.000 0.265 948 T C 0.640 175.385 174.700 0.074 0.000 1.038 948 T CA 1.567 63.673 62.100 0.011 0.000 1.144 948 T CB -0.975 67.919 68.868 0.044 0.000 0.866 948 T HN 0.460 nan 8.240 nan 0.000 0.434 949 N N 2.187 120.975 118.700 0.147 0.000 3.091 949 N HA 0.189 4.933 4.740 0.008 0.000 0.301 949 N C -0.688 175.044 175.510 0.370 0.000 1.325 949 N CA -0.329 52.954 53.050 0.388 0.000 1.143 949 N CB 0.201 38.917 38.487 0.381 0.000 1.450 949 N HN 0.307 nan 8.380 nan 0.000 0.542 950 S N -1.527 114.294 115.700 0.201 0.000 2.482 950 S HA 0.490 4.965 4.470 0.008 0.000 0.303 950 S C -0.045 174.639 174.600 0.140 0.000 1.091 950 S CA -0.919 57.372 58.200 0.151 0.000 1.057 950 S CB 1.524 64.733 63.200 0.016 0.000 1.031 950 S HN -0.095 nan 8.310 nan 0.000 0.485 951 V N 4.219 124.247 119.914 0.190 0.000 2.637 951 V HA 0.257 4.381 4.120 0.008 0.000 0.296 951 V C 1.927 178.078 176.094 0.094 0.000 1.046 951 V CA -0.325 62.067 62.300 0.154 0.000 1.066 951 V CB 0.745 32.694 31.823 0.210 0.000 0.968 951 V HN 1.068 nan 8.190 nan 0.000 0.483 952 R N 2.634 123.179 120.500 0.076 0.000 2.062 952 R HA 0.037 4.381 4.340 0.008 0.000 0.229 952 R C 1.132 177.485 176.300 0.088 0.000 1.128 952 R CA 1.449 57.596 56.100 0.079 0.000 0.960 952 R CB -0.052 30.294 30.300 0.076 0.000 0.855 952 R HN 0.894 nan 8.270 nan 0.000 0.432 953 G N -0.069 108.789 108.800 0.097 0.000 3.356 953 G HA2 0.247 4.212 3.960 0.008 0.000 0.178 953 G HA3 0.247 4.212 3.960 0.008 0.000 0.178 953 G C -1.100 173.856 174.900 0.093 0.000 1.130 953 G CA -0.602 44.551 45.100 0.089 0.000 0.800 953 G HN -0.018 nan 8.290 nan 0.000 0.669 954 K N 0.542 120.996 120.400 0.089 0.000 2.270 954 K HA 0.439 4.763 4.320 0.008 0.000 0.276 954 K C -0.572 176.106 176.600 0.130 0.000 1.023 954 K CA 0.108 56.451 56.287 0.093 0.000 0.955 954 K CB 1.564 34.108 32.500 0.074 0.000 0.975 954 K HN 0.311 nan 8.250 nan 0.000 0.471 955 I N 2.798 123.467 120.570 0.164 0.000 2.569 955 I HA 0.460 4.635 4.170 0.008 0.000 0.296 955 I C -0.266 176.038 176.117 0.313 0.000 1.028 955 I CA -1.052 60.398 61.300 0.250 0.000 1.082 955 I CB 1.749 39.958 38.000 0.347 0.000 1.264 955 I HN 0.442 nan 8.210 nan 0.000 0.429 956 I N 4.110 124.840 120.570 0.268 0.000 2.582 956 I HA 0.721 4.896 4.170 0.008 0.000 0.292 956 I C -0.736 175.439 176.117 0.097 0.000 1.066 956 I CA -0.328 61.113 61.300 0.235 0.000 1.053 956 I CB 1.767 39.865 38.000 0.162 0.000 1.241 956 I HN 0.715 nan 8.210 nan 0.000 0.421 957 A N 7.989 130.777 122.820 -0.053 0.000 2.330 957 A HA 0.795 5.120 4.320 0.008 0.000 0.327 957 A C -0.884 176.662 177.584 -0.064 0.000 1.155 957 A CA -0.535 51.336 52.037 -0.277 0.000 0.803 957 A CB 0.688 19.108 19.000 -0.966 0.000 1.208 957 A HN 0.629 nan 8.150 nan 0.000 0.477 958 I N 1.390 121.959 120.570 -0.002 0.000 2.441 958 I HA 0.609 4.783 4.170 0.008 0.000 0.295 958 I C 0.253 176.388 176.117 0.030 0.000 0.994 958 I CA -0.285 61.048 61.300 0.055 0.000 1.144 958 I CB 2.208 40.288 38.000 0.133 0.000 1.314 958 I HN 0.651 nan 8.210 nan 0.000 0.445 959 T N 4.153 118.715 114.554 0.012 0.000 2.889 959 T HA 0.522 4.877 4.350 0.008 0.000 0.315 959 T C -1.349 173.316 174.700 -0.057 0.000 1.291 959 T CA -0.688 61.403 62.100 -0.015 0.000 1.028 959 T CB 1.570 70.446 68.868 0.013 0.000 1.235 959 T HN 0.837 nan 8.240 nan 0.000 0.491 960 N N 1.003 119.629 118.700 -0.124 0.000 3.167 960 N HA 0.328 5.073 4.740 0.008 0.000 0.323 960 N C 0.643 176.029 175.510 -0.206 0.000 1.478 960 N CA -0.726 52.212 53.050 -0.186 0.000 0.753 960 N CB 0.329 38.641 38.487 -0.292 0.000 1.721 960 N HN 0.624 nan 8.380 nan 0.000 0.618 961 E N -0.706 119.292 120.200 -0.336 0.000 2.516 961 E HA -0.151 4.203 4.350 0.008 0.000 0.199 961 E C -0.155 176.228 176.600 -0.361 0.000 1.069 961 E CA 0.886 57.087 56.400 -0.333 0.000 0.876 961 E CB -0.553 28.900 29.700 -0.413 0.000 0.843 961 E HN 0.736 nan 8.360 nan 0.000 0.530 962 Y N 0.708 120.956 120.300 -0.088 0.000 2.524 962 Y HA 0.411 4.965 4.550 0.008 0.000 0.266 962 Y C 0.912 176.774 175.900 -0.063 0.000 1.180 962 Y CA -0.259 57.797 58.100 -0.073 0.000 1.244 962 Y CB 0.826 39.217 38.460 -0.116 0.000 1.125 962 Y HN 0.063 nan 8.280 nan 0.000 0.524 963 A N 0.706 123.568 122.820 0.070 0.000 2.288 963 A HA 0.780 5.104 4.320 0.008 0.000 0.320 963 A C 0.294 177.997 177.584 0.199 0.000 1.217 963 A CA -0.058 52.031 52.037 0.087 0.000 0.840 963 A CB 0.330 19.361 19.000 0.053 0.000 1.179 963 A HN 0.306 nan 8.150 nan 0.000 0.504 964 G N -0.636 108.284 108.800 0.200 0.000 2.727 964 G HA2 0.815 4.780 3.960 0.008 0.000 0.289 964 G HA3 0.815 4.780 3.960 0.008 0.000 0.289 964 G C 0.326 175.482 174.900 0.426 0.000 1.418 964 G CA 0.491 45.873 45.100 0.471 0.000 0.818 964 G HN 2.187 nan 8.290 nan 0.000 0.486 965 S N -0.090 116.016 115.700 0.676 0.000 4.139 965 S HA -0.350 4.125 4.470 0.008 0.000 0.603 965 S C 1.437 176.179 174.600 0.237 0.000 1.897 965 S CA 2.259 60.762 58.200 0.505 0.000 4.241 965 S CB -1.618 61.921 63.200 0.564 0.000 0.221 965 S HN 1.195 nan 8.310 nan 0.000 0.488 966 D N 1.496 121.997 120.400 0.168 0.000 2.351 966 D HA 0.191 4.835 4.640 0.008 0.000 0.216 966 D C 1.824 178.201 176.300 0.128 0.000 0.968 966 D CA 1.832 55.883 54.000 0.085 0.000 0.899 966 D CB -0.963 39.878 40.800 0.068 0.000 0.907 966 D HN 0.769 nan 8.370 nan 0.000 0.514 967 G N -0.106 108.790 108.800 0.159 0.000 2.394 967 G HA2 -0.203 3.761 3.960 0.008 0.000 0.215 967 G HA3 -0.203 3.761 3.960 0.008 0.000 0.215 967 G C 1.485 176.525 174.900 0.233 0.000 1.165 967 G CA 0.437 45.633 45.100 0.160 0.000 0.784 967 G HN 0.213 nan 8.290 nan 0.000 0.535 968 D N 0.798 121.349 120.400 0.251 0.000 2.097 968 D HA -0.097 4.548 4.640 0.008 0.000 0.195 968 D C 2.680 179.123 176.300 0.239 0.000 0.989 968 D CA 0.594 54.745 54.000 0.251 0.000 0.827 968 D CB -0.019 40.938 40.800 0.261 0.000 0.966 968 D HN 0.154 nan 8.370 nan 0.000 0.456 969 I N 0.916 121.571 120.570 0.141 0.000 2.118 969 I HA -0.276 3.898 4.170 0.008 0.000 0.241 969 I C 2.485 178.762 176.117 0.267 0.000 1.070 969 I CA 1.015 62.372 61.300 0.095 0.000 1.327 969 I CB -1.273 36.587 38.000 -0.234 0.000 1.034 969 I HN -0.023 nan 8.210 nan 0.000 0.405 970 F N 2.116 122.125 119.950 0.098 0.000 2.065 970 F HA -0.283 4.248 4.527 0.008 0.000 0.298 970 F C 2.824 178.713 175.800 0.148 0.000 1.112 970 F CA 2.302 60.361 58.000 0.099 0.000 1.212 970 F CB -0.363 38.647 39.000 0.017 0.000 0.975 970 F HN -0.016 nan 8.300 nan 0.000 0.476 971 S N 0.466 116.325 115.700 0.265 0.000 2.359 971 S HA -0.275 4.200 4.470 0.008 0.000 0.223 971 S C 1.837 176.472 174.600 0.058 0.000 1.039 971 S CA 1.703 59.991 58.200 0.146 0.000 1.042 971 S CB -1.085 62.229 63.200 0.191 0.000 0.915 971 S HN 0.534 nan 8.310 nan 0.000 0.439 972 F N 2.286 122.212 119.950 -0.041 0.000 2.134 972 F HA -0.155 4.376 4.527 0.008 0.000 0.299 972 F C 2.494 178.138 175.800 -0.261 0.000 1.097 972 F CA 1.458 59.336 58.000 -0.203 0.000 1.264 972 F CB -0.443 38.324 39.000 -0.389 0.000 1.001 972 F HN 0.092 nan 8.300 nan 0.000 0.479 973 S N 0.227 115.972 115.700 0.076 0.000 2.368 973 S HA -0.209 4.266 4.470 0.008 0.000 0.225 973 S C 1.814 176.320 174.600 -0.158 0.000 1.030 973 S CA 1.306 59.520 58.200 0.024 0.000 0.999 973 S CB -0.875 62.412 63.200 0.144 0.000 0.844 973 S HN 0.489 nan 8.310 nan 0.000 0.459 974 F N 2.315 122.011 119.950 -0.424 0.000 2.120 974 F HA -0.155 4.377 4.527 0.008 0.000 0.300 974 F C 2.131 177.763 175.800 -0.281 0.000 1.095 974 F CA 1.499 59.250 58.000 -0.415 0.000 1.249 974 F CB -0.140 38.550 39.000 -0.517 0.000 0.995 974 F HN 0.057 nan 8.300 nan 0.000 0.480 975 K N -0.074 120.237 120.400 -0.147 0.000 1.984 975 K HA -0.217 4.108 4.320 0.008 0.000 0.209 975 K C 2.136 178.530 176.600 -0.344 0.000 1.046 975 K CA 1.543 57.684 56.287 -0.242 0.000 0.934 975 K CB -0.301 32.022 32.500 -0.295 0.000 0.717 975 K HN -0.032 nan 8.250 nan 0.000 0.438 976 K N 1.431 121.554 120.400 -0.462 0.000 2.059 976 K HA -0.145 4.179 4.320 0.008 0.000 0.212 976 K C 1.662 178.121 176.600 -0.235 0.000 1.050 976 K CA 1.523 57.578 56.287 -0.388 0.000 0.927 976 K CB -0.306 31.951 32.500 -0.405 0.000 0.714 976 K HN 0.098 nan 8.250 nan 0.000 0.447 977 L N -0.479 120.610 121.223 -0.223 0.000 2.610 977 L HA 0.145 4.490 4.340 0.008 0.000 0.232 977 L C 0.934 177.662 176.870 -0.237 0.000 1.149 977 L CA 0.326 55.054 54.840 -0.186 0.000 0.872 977 L CB -0.462 41.497 42.059 -0.167 0.000 0.992 977 L HN 0.548 nan 8.230 nan 0.000 0.447 978 G N 0.602 109.226 108.800 -0.295 0.000 2.338 978 G HA2 -0.282 3.682 3.960 0.008 0.000 0.296 978 G HA3 -0.282 3.682 3.960 0.008 0.000 0.296 978 G C 0.554 175.233 174.900 -0.368 0.000 1.040 978 G CA 0.064 44.991 45.100 -0.289 0.000 1.004 978 G HN 0.199 nan 8.290 nan 0.000 0.509 979 L N -0.490 120.334 121.223 -0.664 0.000 2.291 979 L HA 0.443 4.787 4.340 0.008 0.000 0.214 979 L C 1.852 178.383 176.870 -0.564 0.000 1.120 979 L CA 1.968 56.388 54.840 -0.701 0.000 0.799 979 L CB -0.671 40.763 42.059 -1.042 0.000 0.925 979 L HN 1.064 nan 8.230 nan 0.000 0.446 980 G N -2.281 106.183 108.800 -0.561 0.000 2.317 980 G HA2 0.160 4.125 3.960 0.008 0.000 0.293 980 G HA3 0.160 4.125 3.960 0.008 0.000 0.293 980 G C -1.292 173.691 174.900 0.137 0.000 1.287 980 G CA -0.914 44.155 45.100 -0.052 0.000 0.850 980 G HN -0.275 nan 8.290 nan 0.000 0.515 981 K N -0.199 120.345 120.400 0.241 0.000 2.185 981 K HA 0.543 4.868 4.320 0.008 0.000 0.271 981 K C -0.730 176.044 176.600 0.291 0.000 1.013 981 K CA -0.620 55.796 56.287 0.214 0.000 0.943 981 K CB 1.979 34.577 32.500 0.164 0.000 0.998 981 K HN 0.381 nan 8.250 nan 0.000 0.468 982 L N 3.976 125.316 121.223 0.196 0.000 2.272 982 L HA 0.376 4.720 4.340 0.008 0.000 0.289 982 L C -0.992 175.919 176.870 0.068 0.000 1.032 982 L CA -0.444 54.469 54.840 0.122 0.000 0.810 982 L CB 0.650 42.768 42.059 0.098 0.000 1.205 982 L HN 0.408 nan 8.230 nan 0.000 0.422 983 I N 4.423 125.026 120.570 0.056 0.000 2.603 983 I HA 0.929 5.104 4.170 0.008 0.000 0.300 983 I C 0.658 176.772 176.117 -0.004 0.000 1.017 983 I CA 0.293 61.609 61.300 0.027 0.000 1.098 983 I CB 1.649 39.718 38.000 0.115 0.000 1.279 983 I HN 0.760 nan 8.210 nan 0.000 0.437 984 G N 3.111 111.881 108.800 -0.050 0.000 2.204 984 G HA2 0.234 4.199 3.960 0.008 0.000 0.153 984 G HA3 0.234 4.199 3.960 0.008 0.000 0.153 984 G C -0.679 174.188 174.900 -0.055 0.000 1.295 984 G CA -0.129 44.947 45.100 -0.041 0.000 1.257 984 G HN 0.904 nan 8.290 nan 0.000 0.495 985 T N -2.022 112.499 114.554 -0.055 0.000 2.903 985 T HA 0.699 5.053 4.350 0.008 0.000 0.299 985 T C -0.026 174.626 174.700 -0.080 0.000 1.093 985 T CA 0.033 62.094 62.100 -0.065 0.000 1.002 985 T CB 2.418 71.248 68.868 -0.064 0.000 1.127 985 T HN 1.027 nan 8.240 nan 0.000 0.488 986 R N 1.734 122.175 120.500 -0.098 0.000 2.538 986 R HA 0.209 4.553 4.340 0.008 0.000 0.273 986 R C 0.784 177.021 176.300 -0.106 0.000 0.967 986 R CA 0.599 56.618 56.100 -0.135 0.000 1.101 986 R CB -0.036 30.118 30.300 -0.244 0.000 0.908 986 R HN 0.936 nan 8.270 nan 0.000 0.411 987 T N 1.310 115.833 114.554 -0.052 0.000 2.732 987 T HA -0.000 4.354 4.350 0.008 0.000 0.287 987 T C 0.949 175.732 174.700 0.139 0.000 0.993 987 T CA -0.360 61.768 62.100 0.048 0.000 0.966 987 T CB 0.470 69.408 68.868 0.118 0.000 1.047 987 T HN 0.824 nan 8.240 nan 0.000 0.527 988 W N 1.899 123.229 121.300 0.050 0.000 2.290 988 W HA -0.051 4.613 4.660 0.008 0.000 0.328 988 W C 1.778 178.451 176.519 0.256 0.000 1.272 988 W CA 2.772 60.216 57.345 0.166 0.000 1.262 988 W CB -1.094 28.492 29.460 0.211 0.000 1.151 988 W HN 1.427 nan 8.180 nan 0.000 0.473 989 G N -0.887 108.037 108.800 0.205 0.000 2.167 989 G HA2 0.016 3.980 3.960 0.008 0.000 0.194 989 G HA3 0.016 3.980 3.960 0.008 0.000 0.194 989 G C 0.068 174.947 174.900 -0.035 0.000 1.027 989 G CA -0.098 45.027 45.100 0.041 0.000 0.717 989 G HN 1.048 nan 8.290 nan 0.000 0.501 990 G N -0.634 108.036 108.800 -0.215 0.000 2.728 990 G HA2 0.681 4.645 3.960 0.008 0.000 0.296 990 G HA3 0.681 4.645 3.960 0.008 0.000 0.296 990 G C 0.093 175.129 174.900 0.227 0.000 1.401 990 G CA 0.123 45.037 45.100 -0.311 0.000 1.007 990 G HN 1.620 nan 8.290 nan 0.000 0.527 991 V N 0.532 120.517 119.914 0.117 0.000 2.647 991 V HA 0.496 4.621 4.120 0.008 0.000 0.305 991 V C -0.605 175.453 176.094 -0.060 0.000 1.162 991 V CA -0.770 61.573 62.300 0.072 0.000 1.248 991 V CB 0.578 32.430 31.823 0.049 0.000 1.508 991 V HN 0.287 nan 8.190 nan 0.000 0.647 992 V N 1.933 121.711 119.914 -0.228 0.000 2.327 992 V HA 0.726 4.850 4.120 0.008 0.000 0.272 992 V C 1.328 177.168 176.094 -0.422 0.000 1.019 992 V CA 0.044 62.160 62.300 -0.308 0.000 0.814 992 V CB 0.949 32.544 31.823 -0.380 0.000 1.040 992 V HN 0.724 nan 8.190 nan 0.000 0.440 993 G N 4.364 113.031 108.800 -0.222 0.000 2.670 993 G HA2 0.346 4.310 3.960 0.008 0.000 0.233 993 G HA3 0.346 4.310 3.960 0.008 0.000 0.233 993 G C -0.466 174.447 174.900 0.022 0.000 1.251 993 G CA 0.252 45.248 45.100 -0.174 0.000 0.849 993 G HN 0.915 nan 8.290 nan 0.000 0.588 994 I N -2.526 118.014 120.570 -0.050 0.000 2.619 994 I HA 0.669 4.843 4.170 0.008 0.000 0.292 994 I C -0.384 175.715 176.117 -0.031 0.000 1.100 994 I CA -0.938 60.398 61.300 0.060 0.000 1.043 994 I CB 2.440 40.437 38.000 -0.005 0.000 1.239 994 I HN 0.240 nan 8.210 nan 0.000 0.420 995 T N 5.199 119.792 114.554 0.064 0.000 3.135 995 T HA 0.431 4.786 4.350 0.008 0.000 0.357 995 T C -2.584 172.150 174.700 0.055 0.000 1.112 995 T CA -0.684 61.397 62.100 -0.031 0.000 1.290 995 T CB 0.675 69.435 68.868 -0.180 0.000 1.018 995 T HN 0.602 nan 8.240 nan 0.000 0.527 996 P HA 0.239 nan 4.420 nan 0.000 0.269 996 P C 0.059 177.403 177.300 0.073 0.000 1.209 996 P CA -0.294 62.843 63.100 0.061 0.000 0.776 996 P CB 1.086 32.818 31.700 0.054 0.000 0.876 997 K N 0.556 121.029 120.400 0.121 0.000 2.582 997 K HA 0.294 4.619 4.320 0.008 0.000 0.204 997 K C 0.353 177.147 176.600 0.324 0.000 1.221 997 K CA -0.539 55.859 56.287 0.185 0.000 1.048 997 K CB 1.036 33.599 32.500 0.104 0.000 1.011 997 K HN 0.257 nan 8.250 nan 0.000 0.597 998 R N 0.947 121.580 120.500 0.222 0.000 2.651 998 R HA 0.417 4.762 4.340 0.008 0.000 0.278 998 R C -1.342 175.017 176.300 0.098 0.000 1.010 998 R CA -0.577 55.625 56.100 0.169 0.000 0.896 998 R CB 1.966 32.370 30.300 0.174 0.000 1.211 998 R HN 0.057 nan 8.270 nan 0.000 0.456 999 R N 2.589 123.130 120.500 0.068 0.000 2.856 999 R HA 0.529 4.874 4.340 0.008 0.000 0.258 999 R C -0.525 175.805 176.300 0.050 0.000 1.066 999 R CA -0.879 55.261 56.100 0.066 0.000 1.045 999 R CB 1.292 31.638 30.300 0.077 0.000 1.178 999 R HN 0.375 nan 8.270 nan 0.000 0.499 1000 L N 2.412 123.672 121.223 0.063 0.000 2.379 1000 L HA 0.274 4.618 4.340 0.008 0.000 0.269 1000 L C 2.008 178.913 176.870 0.058 0.000 1.084 1000 L CA -0.281 54.590 54.840 0.050 0.000 0.802 1000 L CB 1.159 43.251 42.059 0.055 0.000 1.175 1000 L HN 0.772 nan 8.230 nan 0.000 0.448 1001 I N -1.154 119.433 120.570 0.029 0.000 2.479 1001 I HA -0.267 3.907 4.170 0.008 0.000 0.258 1001 I C 1.324 177.459 176.117 0.030 0.000 1.165 1001 I CA 1.624 62.935 61.300 0.018 0.000 1.422 1001 I CB -0.417 37.565 38.000 -0.031 0.000 1.087 1001 I HN 0.777 nan 8.210 nan 0.000 0.441 1002 D N 0.685 121.112 120.400 0.045 0.000 2.342 1002 D HA 0.157 4.802 4.640 0.008 0.000 0.221 1002 D C 1.604 178.104 176.300 0.333 0.000 1.101 1002 D CA 0.480 54.535 54.000 0.091 0.000 0.837 1002 D CB 0.354 41.154 40.800 0.000 0.000 0.938 1002 D HN 0.547 nan 8.370 nan 0.000 0.508 1003 G N 0.102 109.053 108.800 0.253 0.000 2.199 1003 G HA2 -0.282 3.683 3.960 0.008 0.000 0.254 1003 G HA3 -0.282 3.683 3.960 0.008 0.000 0.254 1003 G C 0.532 175.518 174.900 0.144 0.000 0.982 1003 G CA 0.295 45.516 45.100 0.203 0.000 0.632 1003 G HN 0.452 nan 8.290 nan 0.000 0.529 1004 T N 0.865 115.500 114.554 0.134 0.000 2.933 1004 T HA 0.373 4.728 4.350 0.008 0.000 0.306 1004 T C 0.459 175.221 174.700 0.105 0.000 1.045 1004 T CA 0.648 62.823 62.100 0.126 0.000 1.143 1004 T CB 1.931 70.866 68.868 0.112 0.000 1.003 1004 T HN 0.642 nan 8.240 nan 0.000 0.540 1005 V N 5.548 125.524 119.914 0.103 0.000 2.326 1005 V HA 0.336 4.461 4.120 0.008 0.000 0.281 1005 V C 0.171 176.318 176.094 0.088 0.000 1.015 1005 V CA -0.657 61.694 62.300 0.086 0.000 0.823 1005 V CB 0.671 32.538 31.823 0.073 0.000 1.009 1005 V HN 0.682 nan 8.190 nan 0.000 0.436 1006 L N 4.396 125.665 121.223 0.077 0.000 2.379 1006 L HA 0.702 5.046 4.340 0.008 0.000 0.269 1006 L C 0.671 177.574 176.870 0.055 0.000 1.084 1006 L CA -0.164 54.718 54.840 0.070 0.000 0.802 1006 L CB 1.921 44.010 42.059 0.049 0.000 1.175 1006 L HN 0.744 nan 8.230 nan 0.000 0.448 1007 T N -0.422 114.158 114.554 0.044 0.000 2.887 1007 T HA 0.698 5.053 4.350 0.008 0.000 0.288 1007 T C -0.706 173.957 174.700 -0.061 0.000 1.021 1007 T CA -0.906 61.194 62.100 -0.001 0.000 1.000 1007 T CB 2.063 70.923 68.868 -0.013 0.000 1.034 1007 T HN 0.464 nan 8.240 nan 0.000 0.467 1008 Q N 2.260 122.018 119.800 -0.069 0.000 2.304 1008 Q HA 0.451 4.796 4.340 0.008 0.000 0.270 1008 Q C -2.807 173.136 176.000 -0.095 0.000 1.035 1008 Q CA -2.110 53.628 55.803 -0.109 0.000 0.781 1008 Q CB 2.328 30.986 28.738 -0.133 0.000 1.261 1008 Q HN 0.502 nan 8.270 nan 0.000 0.444 1009 P HA -0.063 nan 4.420 nan 0.000 0.263 1009 P C -0.478 176.733 177.300 -0.149 0.000 1.276 1009 P CA 0.507 63.538 63.100 -0.115 0.000 0.986 1009 P CB 0.685 32.323 31.700 -0.103 0.000 1.105 1010 E N 2.077 122.201 120.200 -0.126 0.000 2.447 1010 E HA 0.101 4.455 4.350 0.008 0.000 0.204 1010 E C -0.447 175.750 176.600 -0.671 0.000 0.977 1010 E CA 0.067 56.241 56.400 -0.377 0.000 0.950 1010 E CB 0.261 29.683 29.700 -0.463 0.000 0.975 1010 E HN 0.305 nan 8.360 nan 0.000 0.496 1011 F N 0.905 120.783 119.950 -0.120 0.000 2.443 1011 F HA 0.449 4.981 4.527 0.007 0.000 0.369 1011 F C -0.120 175.588 175.800 -0.155 0.000 1.090 1011 F CA -0.959 56.980 58.000 -0.102 0.000 1.129 1011 F CB 1.259 40.203 39.000 -0.093 0.000 1.367 1011 F HN -0.117 nan 8.300 nan 0.000 0.465 1012 A N 3.291 126.046 122.820 -0.108 0.000 2.444 1012 A HA 0.286 4.611 4.320 0.008 0.000 0.273 1012 A C -0.672 176.932 177.584 0.033 0.000 1.136 1012 A CA -0.144 51.728 52.037 -0.275 0.000 0.799 1012 A CB -0.345 18.233 19.000 -0.702 0.000 1.081 1012 A HN 0.608 nan 8.150 nan 0.000 0.509 1013 F N 3.387 123.297 119.950 -0.067 0.000 2.445 1013 F HA 0.423 4.955 4.527 0.007 0.000 0.359 1013 F C -0.142 175.580 175.800 -0.131 0.000 1.101 1013 F CA -0.116 57.823 58.000 -0.101 0.000 1.177 1013 F CB 0.496 39.374 39.000 -0.203 0.000 1.110 1013 F HN 0.679 nan 8.300 nan 0.000 0.522 1014 W N 8.750 129.502 121.300 -0.914 0.000 2.361 1014 W HA 0.456 5.121 4.660 0.008 0.000 0.314 1014 W C -1.798 174.298 176.519 -0.706 0.000 1.041 1014 W CA -1.036 55.789 57.345 -0.866 0.000 1.241 1014 W CB 0.693 29.634 29.460 -0.865 0.000 1.279 1014 W HN 0.380 nan 8.180 nan 0.000 0.436 1015 F N 5.286 124.615 119.950 -1.036 0.000 2.397 1015 F HA 0.420 4.952 4.527 0.008 0.000 0.331 1015 F C 1.038 175.954 175.800 -1.473 0.000 1.090 1015 F CA -1.135 56.358 58.000 -0.845 0.000 1.065 1015 F CB 1.113 39.675 39.000 -0.730 0.000 1.184 1015 F HN 0.217 nan 8.300 nan 0.000 0.499 1016 R N 2.775 122.897 120.500 -0.629 0.000 2.491 1016 R HA 0.072 4.417 4.340 0.008 0.000 0.283 1016 R C -0.474 175.655 176.300 -0.286 0.000 1.072 1016 R CA 0.092 55.825 56.100 -0.612 0.000 1.048 1016 R CB 0.237 30.501 30.300 -0.060 0.000 0.983 1016 R HN 0.807 nan 8.270 nan 0.000 0.450 1017 D N 1.855 122.122 120.400 -0.221 0.000 3.041 1017 D HA -0.228 4.416 4.640 0.008 0.000 0.220 1017 D C -0.161 176.085 176.300 -0.089 0.000 1.157 1017 D CA 1.450 55.401 54.000 -0.081 0.000 0.876 1017 D CB -1.240 39.549 40.800 -0.018 0.000 1.107 1017 D HN 0.645 nan 8.370 nan 0.000 0.422 1018 A N -1.628 121.053 122.820 -0.232 0.000 2.726 1018 A HA 0.572 4.897 4.320 0.008 0.000 0.192 1018 A C 1.557 178.962 177.584 -0.299 0.000 1.412 1018 A CA 1.159 53.086 52.037 -0.183 0.000 1.073 1018 A CB 0.129 19.045 19.000 -0.139 0.000 1.331 1018 A HN 1.167 nan 8.150 nan 0.000 0.537 1019 G N 0.454 108.895 108.800 -0.599 0.000 2.634 1019 G HA2 -0.348 3.616 3.960 0.008 0.000 0.309 1019 G HA3 -0.348 3.616 3.960 0.008 0.000 0.309 1019 G C 0.409 174.904 174.900 -0.674 0.000 1.265 1019 G CA 1.110 45.792 45.100 -0.697 0.000 0.998 1019 G HN 0.757 nan 8.290 nan 0.000 0.551 1020 F N 2.619 122.553 119.950 -0.027 0.000 2.693 1020 F HA 0.377 4.908 4.527 0.008 0.000 0.303 1020 F C 2.546 178.332 175.800 -0.023 0.000 1.097 1020 F CA 0.638 58.611 58.000 -0.045 0.000 1.330 1020 F CB -0.085 38.870 39.000 -0.076 0.000 1.067 1020 F HN 0.593 nan 8.300 nan 0.000 0.565 1021 G N 0.755 109.612 108.800 0.096 0.000 2.596 1021 G HA2 -0.298 3.666 3.960 0.008 0.000 0.223 1021 G HA3 -0.298 3.666 3.960 0.008 0.000 0.223 1021 G C 1.753 176.720 174.900 0.111 0.000 1.120 1021 G CA 1.638 46.781 45.100 0.072 0.000 0.752 1021 G HN 0.296 nan 8.290 nan 0.000 0.596 1022 V N 0.781 120.748 119.914 0.089 0.000 2.490 1022 V HA -0.035 4.089 4.120 0.008 0.000 0.250 1022 V C 1.410 177.614 176.094 0.183 0.000 1.061 1022 V CA 1.337 63.726 62.300 0.147 0.000 1.064 1022 V CB -0.443 31.423 31.823 0.072 0.000 0.670 1022 V HN 0.541 nan 8.190 nan 0.000 0.461 1023 E N 1.343 121.639 120.200 0.161 0.000 2.415 1023 E HA -0.053 4.301 4.350 0.008 0.000 0.263 1023 E C 0.710 177.454 176.600 0.240 0.000 0.995 1023 E CA 0.655 57.155 56.400 0.167 0.000 0.915 1023 E CB -0.680 29.076 29.700 0.093 0.000 0.951 1023 E HN 0.416 nan 8.360 nan 0.000 0.449 1024 N N 2.854 121.749 118.700 0.325 0.000 2.747 1024 N HA -0.313 4.432 4.740 0.008 0.000 0.249 1024 N C -0.852 174.735 175.510 0.127 0.000 1.107 1024 N CA 0.798 54.014 53.050 0.276 0.000 0.707 1024 N CB -0.608 38.076 38.487 0.328 0.000 1.054 1024 N HN 0.674 nan 8.380 nan 0.000 0.555 1025 Y N -1.263 119.020 120.300 -0.028 0.000 2.840 1025 Y HA 0.316 4.871 4.550 0.008 0.000 0.252 1025 Y C 0.962 176.850 175.900 -0.020 0.000 1.150 1025 Y CA 2.123 60.186 58.100 -0.062 0.000 1.193 1025 Y CB 0.382 38.835 38.460 -0.012 0.000 1.386 1025 Y HN 0.293 nan 8.280 nan 0.000 0.483 1026 G N 0.950 109.744 108.800 -0.010 0.000 2.548 1026 G HA2 -0.025 3.940 3.960 0.008 0.000 0.208 1026 G HA3 -0.025 3.940 3.960 0.008 0.000 0.208 1026 G C -1.647 173.267 174.900 0.023 0.000 1.308 1026 G CA -0.533 44.548 45.100 -0.032 0.000 0.924 1026 G HN 0.645 nan 8.290 nan 0.000 0.540 1027 V N 1.012 120.941 119.914 0.024 0.000 2.540 1027 V HA 0.547 4.671 4.120 0.008 0.000 0.302 1027 V C -0.681 175.413 176.094 0.000 0.000 1.035 1027 V CA -0.846 61.513 62.300 0.098 0.000 0.873 1027 V CB 1.862 33.782 31.823 0.161 0.000 0.992 1027 V HN 0.697 nan 8.190 nan 0.000 0.428 1028 D N 5.821 126.242 120.400 0.036 0.000 2.225 1028 D HA 0.357 5.002 4.640 0.008 0.000 0.248 1028 D C -2.360 173.938 176.300 -0.004 0.000 1.096 1028 D CA -1.079 52.923 54.000 0.004 0.000 0.863 1028 D CB 2.138 42.975 40.800 0.062 0.000 1.156 1028 D HN 0.326 nan 8.370 nan 0.000 0.450 1029 P HA 0.139 nan 4.420 nan 0.000 0.284 1029 P C 0.266 177.556 177.300 -0.016 0.000 1.253 1029 P CA -0.398 62.694 63.100 -0.013 0.000 0.800 1029 P CB 1.569 33.254 31.700 -0.025 0.000 0.961 1030 D N 0.690 121.089 120.400 -0.001 0.000 2.158 1030 D HA -0.079 4.565 4.640 0.008 0.000 0.197 1030 D C 0.486 176.778 176.300 -0.013 0.000 0.995 1030 D CA 1.612 55.612 54.000 0.000 0.000 0.846 1030 D CB 0.118 40.934 40.800 0.026 0.000 0.941 1030 D HN 0.158 nan 8.370 nan 0.000 0.456 1031 V N 1.053 120.946 119.914 -0.035 0.000 2.443 1031 V HA 0.141 4.266 4.120 0.008 0.000 0.293 1031 V C -0.025 175.968 176.094 -0.168 0.000 1.021 1031 V CA -0.857 61.375 62.300 -0.113 0.000 0.848 1031 V CB 2.288 34.008 31.823 -0.172 0.000 0.998 1031 V HN -0.061 nan 8.190 nan 0.000 0.424 1032 E N 4.073 124.187 120.200 -0.143 0.000 2.289 1032 E HA 0.532 4.886 4.350 0.008 0.000 0.278 1032 E C -1.438 175.057 176.600 -0.176 0.000 1.032 1032 E CA -0.472 55.853 56.400 -0.125 0.000 0.854 1032 E CB 1.066 30.722 29.700 -0.072 0.000 1.046 1032 E HN 0.569 nan 8.360 nan 0.000 0.409 1033 I N 4.928 125.407 120.570 -0.153 0.000 2.517 1033 I HA 0.107 4.281 4.170 0.008 0.000 0.280 1033 I C -0.166 175.912 176.117 -0.065 0.000 1.061 1033 I CA -0.444 60.764 61.300 -0.153 0.000 1.091 1033 I CB 1.508 39.371 38.000 -0.229 0.000 1.205 1033 I HN 0.465 nan 8.210 nan 0.000 0.459 1034 E N 3.405 123.600 120.200 -0.007 0.000 2.397 1034 E HA 0.094 4.448 4.350 0.008 0.000 0.254 1034 E C -1.011 175.593 176.600 0.006 0.000 1.231 1034 E CA -0.067 56.376 56.400 0.072 0.000 0.954 1034 E CB 0.987 30.816 29.700 0.214 0.000 1.024 1034 E HN 0.375 nan 8.360 nan 0.000 0.481 1035 Y N 0.053 120.270 120.300 -0.138 0.000 2.535 1035 Y HA 0.363 4.918 4.550 0.008 0.000 0.351 1035 Y C -0.299 175.344 175.900 -0.428 0.000 1.050 1035 Y CA -0.820 57.101 58.100 -0.300 0.000 1.168 1035 Y CB 0.190 38.499 38.460 -0.252 0.000 1.116 1035 Y HN 0.514 nan 8.280 nan 0.000 0.654 1036 A N 3.898 126.508 122.820 -0.351 0.000 2.429 1036 A HA 0.291 4.616 4.320 0.008 0.000 0.242 1036 A C -1.491 175.740 177.584 -0.588 0.000 1.088 1036 A CA -0.890 50.678 52.037 -0.781 0.000 0.784 1036 A CB 0.128 18.661 19.000 -0.779 0.000 1.038 1036 A HN 0.521 nan 8.150 nan 0.000 0.501 1037 P HA -0.169 nan 4.420 nan 0.000 0.219 1037 P C 0.670 177.776 177.300 -0.324 0.000 1.146 1037 P CA 2.040 64.791 63.100 -0.582 0.000 0.808 1037 P CB -0.175 30.728 31.700 -1.328 0.000 0.779 1038 H N -3.050 115.963 119.070 -0.095 0.000 2.529 1038 H HA 0.063 4.624 4.556 0.008 0.000 0.277 1038 H C 1.396 176.756 175.328 0.052 0.000 0.999 1038 H CA 0.726 56.833 56.048 0.098 0.000 1.256 1038 H CB -1.094 28.825 29.762 0.262 0.000 1.402 1038 H HN 0.049 nan 8.280 nan 0.000 0.566 1039 D N 0.539 120.792 120.400 -0.244 0.000 2.183 1039 D HA -0.126 4.519 4.640 0.008 0.000 0.203 1039 D C 1.260 177.514 176.300 -0.077 0.000 0.969 1039 D CA 1.010 54.890 54.000 -0.200 0.000 0.842 1039 D CB -0.138 40.407 40.800 -0.425 0.000 0.957 1039 D HN 0.491 nan 8.370 nan 0.000 0.484 1040 Y N 0.820 121.144 120.300 0.040 0.000 2.314 1040 Y HA -0.001 4.554 4.550 0.008 0.000 0.293 1040 Y C 2.474 178.371 175.900 -0.005 0.000 1.129 1040 Y CA 0.340 58.458 58.100 0.030 0.000 1.201 1040 Y CB -0.169 38.221 38.460 -0.118 0.000 0.999 1040 Y HN -0.101 nan 8.280 nan 0.000 0.541 1041 L N -0.502 120.806 121.223 0.143 0.000 2.083 1041 L HA -0.215 4.130 4.340 0.008 0.000 0.209 1041 L C 2.425 179.354 176.870 0.098 0.000 1.083 1041 L CA 1.674 56.581 54.840 0.111 0.000 0.752 1041 L CB -0.642 41.502 42.059 0.141 0.000 0.899 1041 L HN 0.282 nan 8.230 nan 0.000 0.433 1042 S N -0.776 114.979 115.700 0.091 0.000 2.489 1042 S HA 0.070 4.544 4.470 0.008 0.000 0.228 1042 S C 1.544 176.167 174.600 0.038 0.000 0.995 1042 S CA 0.408 58.646 58.200 0.064 0.000 0.934 1042 S CB 0.126 63.362 63.200 0.060 0.000 0.771 1042 S HN 0.521 nan 8.310 nan 0.000 0.522 1043 G N 1.206 110.033 108.800 0.045 0.000 2.182 1043 G HA2 -0.272 3.693 3.960 0.008 0.000 0.248 1043 G HA3 -0.272 3.693 3.960 0.008 0.000 0.248 1043 G C -0.233 174.651 174.900 -0.027 0.000 1.042 1043 G CA 0.406 45.523 45.100 0.030 0.000 0.775 1043 G HN 0.763 nan 8.290 nan 0.000 0.501 1044 K N 0.143 120.507 120.400 -0.060 0.000 2.259 1044 K HA 0.475 4.799 4.320 0.008 0.000 0.252 1044 K C -1.360 175.094 176.600 -0.242 0.000 0.936 1044 K CA -0.930 55.277 56.287 -0.133 0.000 0.810 1044 K CB 1.185 33.620 32.500 -0.109 0.000 1.143 1044 K HN -0.008 nan 8.250 nan 0.000 0.427 1045 D N 5.654 125.897 120.400 -0.260 0.000 2.467 1045 D HA 0.157 4.801 4.640 0.008 0.000 0.220 1045 D C -1.587 174.475 176.300 -0.396 0.000 1.103 1045 D CA -2.354 51.432 54.000 -0.356 0.000 0.886 1045 D CB 1.546 42.278 40.800 -0.114 0.000 1.025 1045 D HN 0.326 nan 8.370 nan 0.000 0.514 1046 P HA -0.152 nan 4.420 nan 0.000 0.220 1046 P C 1.103 178.294 177.300 -0.182 0.000 1.148 1046 P CA 1.018 63.903 63.100 -0.359 0.000 0.803 1046 P CB 0.702 32.136 31.700 -0.443 0.000 0.782 1047 Q N -0.474 119.196 119.800 -0.216 0.000 2.049 1047 Q HA -0.037 4.308 4.340 0.008 0.000 0.198 1047 Q C 2.431 178.471 176.000 0.067 0.000 0.971 1047 Q CA 0.900 56.687 55.803 -0.027 0.000 0.833 1047 Q CB -0.497 28.254 28.738 0.022 0.000 0.896 1047 Q HN 0.205 nan 8.270 nan 0.000 0.434 1048 I N 0.774 121.372 120.570 0.047 0.000 2.315 1048 I HA -0.270 3.905 4.170 0.008 0.000 0.248 1048 I C 1.241 177.408 176.117 0.084 0.000 1.117 1048 I CA 1.121 62.465 61.300 0.074 0.000 1.404 1048 I CB 0.080 38.094 38.000 0.023 0.000 1.071 1048 I HN 0.181 nan 8.210 nan 0.000 0.419 1049 D N -0.087 120.356 120.400 0.073 0.000 2.097 1049 D HA -0.260 4.384 4.640 0.008 0.000 0.195 1049 D C 1.858 178.189 176.300 0.053 0.000 0.989 1049 D CA 1.404 55.449 54.000 0.075 0.000 0.827 1049 D CB -0.391 40.440 40.800 0.052 0.000 0.966 1049 D HN 0.428 nan 8.370 nan 0.000 0.456 1050 Y N 1.497 121.784 120.300 -0.023 0.000 2.128 1050 Y HA -0.229 4.326 4.550 0.008 0.000 0.284 1050 Y C 2.245 178.147 175.900 0.003 0.000 1.154 1050 Y CA 1.936 60.027 58.100 -0.014 0.000 1.149 1050 Y CB -0.417 38.032 38.460 -0.020 0.000 0.976 1050 Y HN -0.042 nan 8.280 nan 0.000 0.505 1051 A N 0.797 123.706 122.820 0.148 0.000 1.892 1051 A HA -0.226 4.098 4.320 0.008 0.000 0.218 1051 A C 2.184 179.757 177.584 -0.019 0.000 1.188 1051 A CA 2.169 54.260 52.037 0.090 0.000 0.631 1051 A CB -1.052 18.028 19.000 0.134 0.000 0.822 1051 A HN 0.516 nan 8.150 nan 0.000 0.447 1052 I N 0.467 121.019 120.570 -0.031 0.000 2.076 1052 I HA -0.232 3.942 4.170 0.008 0.000 0.237 1052 I C 2.028 178.079 176.117 -0.109 0.000 1.059 1052 I CA 1.947 63.205 61.300 -0.071 0.000 1.317 1052 I CB -1.829 36.108 38.000 -0.104 0.000 1.037 1052 I HN 0.298 nan 8.210 nan 0.000 0.398 1053 D N 1.285 121.598 120.400 -0.146 0.000 2.116 1053 D HA -0.162 4.482 4.640 0.008 0.000 0.193 1053 D C 2.259 178.425 176.300 -0.223 0.000 0.998 1053 D CA 1.793 55.687 54.000 -0.177 0.000 0.836 1053 D CB -0.301 40.383 40.800 -0.193 0.000 0.951 1053 D HN 0.353 nan 8.370 nan 0.000 0.449 1054 A N 0.669 123.275 122.820 -0.356 0.000 1.908 1054 A HA -0.159 4.165 4.320 0.008 0.000 0.218 1054 A C 2.412 179.914 177.584 -0.136 0.000 1.181 1054 A CA 1.089 52.927 52.037 -0.331 0.000 0.627 1054 A CB -0.833 17.905 19.000 -0.436 0.000 0.818 1054 A HN 0.232 nan 8.150 nan 0.000 0.445 1055 L N -0.829 120.342 121.223 -0.088 0.000 2.109 1055 L HA -0.125 4.220 4.340 0.008 0.000 0.207 1055 L C 2.458 179.310 176.870 -0.031 0.000 1.086 1055 L CA 0.998 55.822 54.840 -0.028 0.000 0.760 1055 L CB -0.373 41.687 42.059 0.002 0.000 0.910 1055 L HN 0.401 nan 8.230 nan 0.000 0.437 1056 I N -0.204 120.333 120.570 -0.055 0.000 2.208 1056 I HA -0.307 3.867 4.170 0.008 0.000 0.245 1056 I C 2.548 178.641 176.117 -0.040 0.000 1.097 1056 I CA 1.228 62.501 61.300 -0.046 0.000 1.363 1056 I CB -0.180 37.783 38.000 -0.062 0.000 1.051 1056 I HN 0.253 nan 8.210 nan 0.000 0.413 1057 E N 1.446 121.612 120.200 -0.057 0.000 2.110 1057 E HA -0.239 4.116 4.350 0.008 0.000 0.193 1057 E C 1.912 178.496 176.600 -0.025 0.000 0.988 1057 E CA 1.531 57.904 56.400 -0.045 0.000 0.804 1057 E CB -0.101 29.562 29.700 -0.061 0.000 0.745 1057 E HN 0.445 nan 8.360 nan 0.000 0.458 1058 E N -0.882 119.306 120.200 -0.020 0.000 2.347 1058 E HA -0.086 4.268 4.350 0.008 0.000 0.196 1058 E C 0.223 176.826 176.600 0.006 0.000 1.008 1058 E CA 0.161 56.560 56.400 -0.002 0.000 0.852 1058 E CB 0.128 29.833 29.700 0.009 0.000 0.783 1058 E HN 0.163 nan 8.360 nan 0.000 0.505 1059 L N 0.856 122.080 121.223 0.003 0.000 2.928 1059 L HA 0.103 4.447 4.340 0.008 0.000 0.236 1059 L C 1.219 178.092 176.870 0.003 0.000 1.290 1059 L CA 0.406 55.252 54.840 0.010 0.000 1.099 1059 L CB 0.069 42.137 42.059 0.015 0.000 1.437 1059 L HN -0.078 nan 8.230 nan 0.000 0.493 1060 R N -1.075 119.425 120.500 0.000 0.000 2.250 1060 R HA 0.281 4.626 4.340 0.008 0.000 0.194 1060 R C 0.486 176.786 176.300 0.001 0.000 0.927 1060 R CA -0.001 56.098 56.100 -0.002 0.000 1.052 1060 R CB 0.077 30.373 30.300 -0.007 0.000 1.055 1060 R HN 0.387 nan 8.270 nan 0.000 0.537 1061 N N 0.000 118.703 118.700 0.004 0.000 1.763 1061 N HA 0.000 4.745 4.740 0.008 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.006 0.000 0.885 1061 N CB 0.000 38.492 38.487 0.009 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667