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 2b9v_1_D DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 4.650 125.058 120.400 0.013 0.000 2.358 51 D HA 0.123 4.763 4.640 0.001 0.000 0.258 51 D C -1.212 175.069 176.300 -0.031 0.000 1.223 51 D CA -1.917 52.065 54.000 -0.031 0.000 0.886 51 D CB 1.321 42.121 40.800 0.000 0.000 1.120 51 D HN 0.298 nan 8.370 nan 0.000 0.482 52 P HA -0.050 nan 4.420 nan 0.000 0.229 52 P C 1.220 178.514 177.300 -0.010 0.000 1.160 52 P CA 0.541 63.616 63.100 -0.043 0.000 0.777 52 P CB 0.292 31.950 31.700 -0.070 0.000 0.814 53 L N -1.281 119.936 121.223 -0.011 0.000 2.612 53 L HA 0.131 4.471 4.340 0.001 0.000 0.230 53 L C 1.584 178.457 176.870 0.006 0.000 1.140 53 L CA 0.506 55.344 54.840 -0.002 0.000 0.896 53 L CB -0.261 41.794 42.059 -0.006 0.000 1.065 53 L HN -0.038 nan 8.230 nan 0.000 0.447 54 S N -2.003 113.705 115.700 0.014 0.000 2.918 54 S HA 0.176 4.647 4.470 0.001 0.000 0.264 54 S C 0.333 174.952 174.600 0.031 0.000 1.078 54 S CA -0.209 58.003 58.200 0.020 0.000 0.918 54 S CB 1.194 64.405 63.200 0.019 0.000 0.882 54 S HN -0.051 nan 8.310 nan 0.000 0.466 55 V N 3.111 123.055 119.914 0.050 0.000 2.384 55 V HA 0.594 4.715 4.120 0.001 0.000 0.287 55 V C -0.678 175.469 176.094 0.089 0.000 1.020 55 V CA -0.463 61.880 62.300 0.072 0.000 0.850 55 V CB 1.416 33.305 31.823 0.109 0.000 0.987 55 V HN 0.242 nan 8.190 nan 0.000 0.436 56 Q N 3.164 123.001 119.800 0.062 0.000 2.394 56 Q HA 0.384 4.724 4.340 0.001 0.000 0.259 56 Q C 0.598 176.627 176.000 0.048 0.000 1.021 56 Q CA -0.072 55.765 55.803 0.058 0.000 0.805 56 Q CB 1.566 30.324 28.738 0.034 0.000 1.226 56 Q HN 0.886 nan 8.270 nan 0.000 0.476 57 T N -0.185 114.406 114.554 0.062 0.000 3.069 57 T HA 0.390 4.740 4.350 0.001 0.000 0.252 57 T C 0.808 175.524 174.700 0.026 0.000 1.053 57 T CA 0.284 62.398 62.100 0.024 0.000 0.964 57 T CB 0.534 69.393 68.868 -0.015 0.000 1.005 57 T HN 0.441 nan 8.240 nan 0.000 0.532 58 G N 1.014 109.837 108.800 0.038 0.000 3.075 58 G HA2 0.546 4.506 3.960 0.001 0.000 0.156 58 G HA3 0.546 4.506 3.960 0.001 0.000 0.156 58 G C -0.804 174.108 174.900 0.020 0.000 1.403 58 G CA -0.501 44.617 45.100 0.029 0.000 1.033 58 G HN 0.370 nan 8.290 nan 0.000 0.589 59 S N -0.964 114.747 115.700 0.018 0.000 2.500 59 S HA 0.412 4.882 4.470 0.001 0.000 0.301 59 S C -0.225 174.383 174.600 0.013 0.000 1.092 59 S CA -0.585 57.623 58.200 0.014 0.000 1.030 59 S CB 1.719 64.926 63.200 0.011 0.000 1.031 59 S HN 0.317 nan 8.310 nan 0.000 0.483 60 D N 2.657 123.064 120.400 0.011 0.000 2.355 60 D HA 0.176 4.816 4.640 0.001 0.000 0.218 60 D C 0.130 176.435 176.300 0.009 0.000 1.004 60 D CA 0.601 54.607 54.000 0.010 0.000 0.880 60 D CB 0.057 40.863 40.800 0.009 0.000 0.911 60 D HN 0.535 nan 8.370 nan 0.000 0.528 61 I N 3.038 123.613 120.570 0.008 0.000 2.301 61 I HA 0.144 4.314 4.170 0.001 0.000 0.292 61 I C -1.536 174.586 176.117 0.008 0.000 1.046 61 I CA -1.644 59.660 61.300 0.008 0.000 1.282 61 I CB 0.795 38.799 38.000 0.007 0.000 1.409 61 I HN -0.202 nan 8.210 nan 0.000 0.484 73 R N 2.138 122.567 120.500 -0.117 0.000 2.679 73 R HA 0.039 4.380 4.340 0.001 0.000 0.269 73 R C 0.235 176.462 176.300 -0.120 0.000 1.076 73 R CA 0.748 56.736 56.100 -0.187 0.000 1.160 73 R CB 0.247 30.225 30.300 -0.536 0.000 1.054 73 R HN 0.133 nan 8.270 nan 0.000 0.507 74 D N 0.583 120.982 120.400 -0.001 0.000 2.427 74 D HA 0.031 4.671 4.640 0.001 0.000 0.224 74 D C -0.518 175.884 176.300 0.170 0.000 1.157 74 D CA -0.119 53.929 54.000 0.081 0.000 0.828 74 D CB -0.143 40.726 40.800 0.114 0.000 0.974 74 D HN 0.496 nan 8.370 nan 0.000 0.498 75 Y N -1.296 119.019 120.300 0.024 0.000 2.725 75 Y HA 0.578 5.128 4.550 0.001 0.000 0.333 75 Y C -1.393 174.523 175.900 0.027 0.000 1.242 75 Y CA -1.860 56.257 58.100 0.029 0.000 1.059 75 Y CB 0.962 39.444 38.460 0.037 0.000 1.306 75 Y HN -0.058 nan 8.280 nan 0.000 0.454 76 I N 0.051 120.731 120.570 0.183 0.000 2.608 76 I HA 0.698 4.868 4.170 0.001 0.000 0.295 76 I C -1.510 174.757 176.117 0.251 0.000 1.049 76 I CA -1.092 60.262 61.300 0.090 0.000 1.063 76 I CB 2.414 40.438 38.000 0.041 0.000 1.248 76 I HN 0.774 nan 8.210 nan 0.000 0.424 77 K N 5.130 125.650 120.400 0.199 0.000 2.292 77 K HA 0.596 4.916 4.320 0.001 0.000 0.257 77 K C -1.131 175.536 176.600 0.112 0.000 0.940 77 K CA -0.736 55.669 56.287 0.196 0.000 0.811 77 K CB 1.874 34.521 32.500 0.244 0.000 1.120 77 K HN 0.744 nan 8.250 nan 0.000 0.428 78 R N 2.750 123.302 120.500 0.087 0.000 2.534 78 R HA 0.244 4.584 4.340 0.001 0.000 0.301 78 R C -0.987 175.316 176.300 0.004 0.000 0.961 78 R CA -0.715 55.420 56.100 0.059 0.000 0.871 78 R CB 1.974 32.319 30.300 0.076 0.000 1.170 78 R HN 0.599 nan 8.270 nan 0.000 0.446 79 E N 2.415 122.606 120.200 -0.014 0.000 2.145 79 E HA 0.397 4.747 4.350 0.001 0.000 0.270 79 E C -0.873 175.658 176.600 -0.114 0.000 0.906 79 E CA -0.702 55.619 56.400 -0.133 0.000 0.761 79 E CB 2.176 31.867 29.700 -0.014 0.000 1.116 79 E HN 0.149 nan 8.360 nan 0.000 0.408 80 V N 2.542 122.319 119.914 -0.228 0.000 2.962 80 V HA 0.404 4.525 4.120 0.001 0.000 0.313 80 V C -0.441 175.494 176.094 -0.265 0.000 1.099 80 V CA -1.098 61.095 62.300 -0.178 0.000 0.971 80 V CB 2.133 33.852 31.823 -0.172 0.000 1.028 80 V HN 0.686 nan 8.190 nan 0.000 0.430 81 M N 2.789 122.281 119.600 -0.180 0.000 2.055 81 M HA 0.401 4.882 4.480 0.001 0.000 0.346 81 M C -0.706 175.419 176.300 -0.291 0.000 1.074 81 M CA -0.391 54.816 55.300 -0.154 0.000 1.009 81 M CB 0.953 33.536 32.600 -0.028 0.000 1.423 81 M HN 0.408 nan 8.290 nan 0.000 0.410 82 V N 7.285 126.932 119.914 -0.445 0.000 2.455 82 V HA 0.258 4.378 4.120 0.001 0.000 0.273 82 V C -1.849 174.075 176.094 -0.282 0.000 1.045 82 V CA -1.173 60.738 62.300 -0.649 0.000 0.976 82 V CB 0.714 32.080 31.823 -0.761 0.000 0.993 82 V HN 0.557 nan 8.190 nan 0.000 0.475 83 P HA 0.302 nan 4.420 nan 0.000 0.280 83 P C -0.489 176.820 177.300 0.015 0.000 1.244 83 P CA -0.443 62.638 63.100 -0.032 0.000 0.784 83 P CB 0.966 32.683 31.700 0.029 0.000 0.913 84 M N 2.746 122.367 119.600 0.034 0.000 2.363 84 M HA 0.260 4.740 4.480 0.001 0.000 0.280 84 M C 2.145 178.489 176.300 0.074 0.000 1.182 84 M CA -0.587 54.753 55.300 0.067 0.000 0.974 84 M CB 0.180 32.818 32.600 0.064 0.000 1.452 84 M HN 0.406 nan 8.290 nan 0.000 0.507 85 R N 0.686 121.233 120.500 0.078 0.000 2.120 85 R HA -0.151 4.189 4.340 0.001 0.000 0.234 85 R C 0.519 176.843 176.300 0.040 0.000 1.123 85 R CA 1.929 58.064 56.100 0.058 0.000 0.975 85 R CB -0.589 29.731 30.300 0.034 0.000 0.866 85 R HN 0.679 nan 8.270 nan 0.000 0.446 86 D N -0.694 119.729 120.400 0.039 0.000 2.340 86 D HA 0.100 4.741 4.640 0.001 0.000 0.217 86 D C 1.108 177.429 176.300 0.035 0.000 1.081 86 D CA 0.523 54.543 54.000 0.033 0.000 0.842 86 D CB 0.499 41.319 40.800 0.033 0.000 0.934 86 D HN 0.452 nan 8.370 nan 0.000 0.511 87 G N -0.214 108.609 108.800 0.039 0.000 2.217 87 G HA2 -0.277 3.683 3.960 0.001 0.000 0.246 87 G HA3 -0.277 3.683 3.960 0.001 0.000 0.246 87 G C 0.238 175.158 174.900 0.033 0.000 0.990 87 G CA 0.152 45.273 45.100 0.036 0.000 0.627 87 G HN 0.375 nan 8.290 nan 0.000 0.522 88 V N 2.066 122.002 119.914 0.037 0.000 2.521 88 V HA 0.316 4.437 4.120 0.001 0.000 0.286 88 V C 0.739 176.850 176.094 0.029 0.000 1.034 88 V CA 0.394 62.717 62.300 0.037 0.000 1.045 88 V CB 1.149 33.001 31.823 0.048 0.000 0.974 88 V HN 0.347 nan 8.190 nan 0.000 0.480 89 K N 6.148 126.561 120.400 0.022 0.000 2.183 89 K HA 0.607 4.927 4.320 0.001 0.000 0.274 89 K C -0.944 175.665 176.600 0.015 0.000 1.009 89 K CA -0.457 55.830 56.287 -0.000 0.000 0.888 89 K CB 1.443 33.941 32.500 -0.003 0.000 1.078 89 K HN 0.500 nan 8.250 nan 0.000 0.459 90 L N 3.347 124.561 121.223 -0.015 0.000 2.295 90 L HA 0.319 4.660 4.340 0.001 0.000 0.285 90 L C -0.330 176.549 176.870 0.014 0.000 1.035 90 L CA -1.159 53.695 54.840 0.023 0.000 0.806 90 L CB 0.493 42.562 42.059 0.017 0.000 1.214 90 L HN 0.566 nan 8.230 nan 0.000 0.426 91 Y N 2.718 123.004 120.300 -0.024 0.000 2.496 91 Y HA 0.165 4.715 4.550 0.001 0.000 0.334 91 Y C -0.173 175.715 175.900 -0.021 0.000 1.080 91 Y CA 0.188 58.275 58.100 -0.022 0.000 1.355 91 Y CB 0.597 39.065 38.460 0.013 0.000 1.193 91 Y HN 0.496 nan 8.280 nan 0.000 0.523 92 T N 6.340 120.578 114.554 -0.528 0.000 2.848 92 T HA 0.510 4.861 4.350 0.001 0.000 0.285 92 T C -1.152 173.261 174.700 -0.478 0.000 0.995 92 T CA -0.699 61.174 62.100 -0.379 0.000 0.970 92 T CB 1.247 69.931 68.868 -0.307 0.000 0.976 92 T HN 0.372 nan 8.240 nan 0.000 0.441 93 V N 4.184 123.950 119.914 -0.247 0.000 2.459 93 V HA 0.600 4.720 4.120 0.001 0.000 0.295 93 V C -0.615 175.482 176.094 0.005 0.000 1.029 93 V CA -0.809 61.419 62.300 -0.120 0.000 0.874 93 V CB 1.333 33.171 31.823 0.025 0.000 0.985 93 V HN 0.768 nan 8.190 nan 0.000 0.438 94 I N 4.816 125.402 120.570 0.026 0.000 2.447 94 I HA 0.464 4.634 4.170 0.001 0.000 0.287 94 I C -0.465 175.704 176.117 0.087 0.000 1.023 94 I CA -0.423 60.914 61.300 0.062 0.000 1.083 94 I CB 2.073 40.119 38.000 0.077 0.000 1.245 94 I HN 0.286 nan 8.210 nan 0.000 0.434 95 V N 7.311 127.278 119.914 0.089 0.000 2.357 95 V HA 0.498 4.618 4.120 0.001 0.000 0.284 95 V C -0.003 176.149 176.094 0.096 0.000 1.018 95 V CA -0.418 61.942 62.300 0.100 0.000 0.841 95 V CB 1.250 33.091 31.823 0.031 0.000 0.991 95 V HN 0.481 nan 8.190 nan 0.000 0.437 96 I N 7.128 127.777 120.570 0.133 0.000 2.406 96 I HA 0.430 4.600 4.170 0.001 0.000 0.290 96 I C -2.447 173.753 176.117 0.138 0.000 0.999 96 I CA -2.289 59.076 61.300 0.108 0.000 1.124 96 I CB 2.597 40.646 38.000 0.082 0.000 1.289 96 I HN 0.396 nan 8.210 nan 0.000 0.441 97 P HA 0.080 nan 4.420 nan 0.000 0.268 97 P C -0.766 176.585 177.300 0.086 0.000 1.205 97 P CA -0.356 62.813 63.100 0.116 0.000 0.771 97 P CB 0.477 32.227 31.700 0.084 0.000 0.858 98 K N 2.459 122.909 120.400 0.083 0.000 2.436 98 K HA -0.005 4.316 4.320 0.001 0.000 0.275 98 K C 0.395 177.013 176.600 0.030 0.000 0.999 98 K CA 0.457 56.771 56.287 0.044 0.000 0.980 98 K CB -0.541 31.975 32.500 0.026 0.000 0.919 98 K HN 0.437 nan 8.250 nan 0.000 0.484 99 N N -0.026 118.684 118.700 0.017 0.000 2.735 99 N HA -0.245 4.495 4.740 0.001 0.000 0.248 99 N C -1.235 174.279 175.510 0.007 0.000 1.083 99 N CA 0.630 53.685 53.050 0.008 0.000 0.703 99 N CB -0.684 37.807 38.487 0.006 0.000 1.005 99 N HN 0.619 nan 8.380 nan 0.000 0.550 100 A N 0.669 123.495 122.820 0.010 0.000 2.363 100 A HA 0.672 4.992 4.320 0.001 0.000 0.270 100 A C 0.534 178.109 177.584 -0.014 0.000 1.121 100 A CA -0.017 52.021 52.037 0.002 0.000 0.800 100 A CB 0.745 19.752 19.000 0.012 0.000 1.052 100 A HN 0.362 nan 8.150 nan 0.000 0.493 101 R N 1.722 122.206 120.500 -0.027 0.000 2.522 101 R HA 0.357 4.697 4.340 0.001 0.000 0.283 101 R C -0.640 175.629 176.300 -0.053 0.000 1.074 101 R CA -0.328 55.750 56.100 -0.037 0.000 0.925 101 R CB 0.666 30.948 30.300 -0.030 0.000 1.205 101 R HN 1.025 nan 8.270 nan 0.000 0.436 102 N N 1.012 119.674 118.700 -0.063 0.000 2.758 102 N HA -0.227 4.513 4.740 0.001 0.000 0.248 102 N C -1.156 174.291 175.510 -0.104 0.000 1.076 102 N CA 0.713 53.715 53.050 -0.080 0.000 0.696 102 N CB -0.362 38.082 38.487 -0.073 0.000 0.979 102 N HN 0.587 nan 8.380 nan 0.000 0.550 103 A N 0.538 123.293 122.820 -0.107 0.000 2.310 103 A HA 0.623 4.943 4.320 0.001 0.000 0.299 103 A C -1.972 175.496 177.584 -0.193 0.000 1.147 103 A CA -1.204 50.741 52.037 -0.153 0.000 0.818 103 A CB 0.731 19.670 19.000 -0.102 0.000 1.096 103 A HN 0.057 nan 8.150 nan 0.000 0.495 104 P HA 0.302 nan 4.420 nan 0.000 0.272 104 P C -0.721 176.484 177.300 -0.157 0.000 1.240 104 P CA 0.087 63.009 63.100 -0.296 0.000 0.791 104 P CB 0.666 32.059 31.700 -0.513 0.000 0.978 105 I N 1.110 121.646 120.570 -0.057 0.000 2.404 105 I HA 0.271 4.442 4.170 0.001 0.000 0.293 105 I C -0.044 176.101 176.117 0.046 0.000 0.992 105 I CA -0.975 60.327 61.300 0.003 0.000 1.149 105 I CB 1.616 39.596 38.000 -0.034 0.000 1.315 105 I HN 0.139 nan 8.210 nan 0.000 0.446 106 L N 7.789 129.026 121.223 0.022 0.000 2.276 106 L HA 0.527 4.867 4.340 0.001 0.000 0.286 106 L C -1.051 175.712 176.870 -0.178 0.000 1.024 106 L CA -0.367 54.413 54.840 -0.100 0.000 0.826 106 L CB 1.298 43.152 42.059 -0.341 0.000 1.211 106 L HN 0.468 nan 8.230 nan 0.000 0.422 107 L N 4.696 125.835 121.223 -0.140 0.000 2.334 107 L HA 0.808 5.148 4.340 0.001 0.000 0.276 107 L C -0.627 176.138 176.870 -0.174 0.000 1.014 107 L CA 0.372 55.114 54.840 -0.164 0.000 0.815 107 L CB 2.151 44.159 42.059 -0.084 0.000 1.268 107 L HN 0.662 nan 8.230 nan 0.000 0.428 108 T N 4.518 118.929 114.554 -0.237 0.000 2.921 108 T HA 0.565 4.915 4.350 0.001 0.000 0.297 108 T C -0.809 173.900 174.700 0.016 0.000 1.013 108 T CA -0.640 61.381 62.100 -0.131 0.000 0.990 108 T CB 1.366 70.073 68.868 -0.268 0.000 1.023 108 T HN 0.548 nan 8.240 nan 0.000 0.447 109 R N 1.424 121.994 120.500 0.116 0.000 2.445 109 R HA 0.783 5.124 4.340 0.001 0.000 0.308 109 R C -0.502 175.938 176.300 0.233 0.000 0.961 109 R CA -0.826 55.374 56.100 0.167 0.000 0.862 109 R CB 1.965 32.359 30.300 0.156 0.000 1.144 109 R HN 0.556 nan 8.270 nan 0.000 0.447 110 T N 1.970 116.652 114.554 0.215 0.000 2.916 110 T HA 0.407 4.757 4.350 0.001 0.000 0.305 110 T C -2.402 172.284 174.700 -0.022 0.000 1.119 110 T CA -1.922 60.270 62.100 0.154 0.000 1.008 110 T CB 1.885 70.902 68.868 0.249 0.000 1.129 110 T HN 0.362 nan 8.240 nan 0.000 0.480 111 P HA 0.247 nan 4.420 nan 0.000 0.266 111 P C -0.483 176.602 177.300 -0.359 0.000 1.381 111 P CA -0.044 62.759 63.100 -0.495 0.000 0.940 111 P CB -0.140 30.943 31.700 -1.029 0.000 1.435 112 Y N 0.479 120.806 120.300 0.045 0.000 2.781 112 Y HA 0.320 4.871 4.550 0.000 0.000 0.326 112 Y C 0.504 176.244 175.900 -0.267 0.000 1.019 112 Y CA -1.448 56.650 58.100 -0.004 0.000 1.372 112 Y CB -1.128 37.358 38.460 0.042 0.000 1.260 112 Y HN 0.069 nan 8.280 nan 0.000 0.546 113 N N 0.406 118.837 118.700 -0.450 0.000 2.469 113 N HA -0.212 4.528 4.740 0.001 0.000 0.283 113 N C 0.911 176.240 175.510 -0.301 0.000 1.326 113 N CA 0.231 52.803 53.050 -0.797 0.000 0.646 113 N CB -0.250 37.515 38.487 -1.204 0.000 0.894 113 N HN 0.536 nan 8.380 nan 0.000 0.533 114 A N 3.387 126.156 122.820 -0.085 0.000 1.948 114 A HA -0.234 4.086 4.320 0.001 0.000 0.220 114 A C 1.969 179.551 177.584 -0.003 0.000 1.177 114 A CA 1.988 54.051 52.037 0.043 0.000 0.636 114 A CB -0.301 18.850 19.000 0.252 0.000 0.815 114 A HN 0.770 nan 8.150 nan 0.000 0.449 115 K N -0.844 119.587 120.400 0.052 0.000 2.063 115 K HA -0.122 4.199 4.320 0.001 0.000 0.208 115 K C 2.011 178.567 176.600 -0.072 0.000 1.048 115 K CA 1.499 57.822 56.287 0.060 0.000 0.928 115 K CB -0.494 32.009 32.500 0.005 0.000 0.713 115 K HN 0.405 nan 8.250 nan 0.000 0.442 116 G N 0.701 109.407 108.800 -0.158 0.000 2.403 116 G HA2 -0.177 3.783 3.960 0.001 0.000 0.216 116 G HA3 -0.177 3.783 3.960 0.001 0.000 0.216 116 G C 1.408 176.176 174.900 -0.219 0.000 1.154 116 G CA 0.041 45.042 45.100 -0.166 0.000 0.784 116 G HN 0.150 nan 8.290 nan 0.000 0.538 117 R N 0.961 121.260 120.500 -0.336 0.000 2.105 117 R HA -0.013 4.327 4.340 0.001 0.000 0.239 117 R C 2.381 178.261 176.300 -0.699 0.000 1.135 117 R CA 1.176 56.924 56.100 -0.587 0.000 0.967 117 R CB -0.805 28.935 30.300 -0.934 0.000 0.861 117 R HN 0.346 nan 8.270 nan 0.000 0.442 118 A N 0.602 123.114 122.820 -0.514 0.000 2.370 118 A HA 0.100 4.421 4.320 0.001 0.000 0.238 118 A C 0.363 177.871 177.584 -0.127 0.000 1.289 118 A CA -0.059 51.826 52.037 -0.253 0.000 0.885 118 A CB 0.008 18.983 19.000 -0.043 0.000 0.961 118 A HN 0.077 nan 8.150 nan 0.000 0.499 119 N N 0.025 118.646 118.700 -0.130 0.000 2.610 119 N HA 0.107 4.847 4.740 0.001 0.000 0.307 119 N C 1.106 176.579 175.510 -0.062 0.000 1.813 119 N CA -0.265 52.745 53.050 -0.067 0.000 0.901 119 N CB 0.131 38.594 38.487 -0.041 0.000 1.354 119 N HN 0.384 nan 8.380 nan 0.000 0.491 120 R N -0.206 120.253 120.500 -0.070 0.000 2.112 120 R HA -0.048 4.292 4.340 0.001 0.000 0.242 120 R C -0.232 176.057 176.300 -0.018 0.000 1.137 120 R CA 1.337 57.413 56.100 -0.041 0.000 0.944 120 R CB -0.046 30.237 30.300 -0.028 0.000 0.857 120 R HN -0.016 nan 8.270 nan 0.000 0.435 121 V N 4.384 124.291 119.914 -0.011 0.000 2.313 121 V HA 0.242 4.363 4.120 0.001 0.000 0.278 121 V C -2.233 173.869 176.094 0.014 0.000 1.017 121 V CA -1.826 60.477 62.300 0.005 0.000 0.823 121 V CB 1.433 33.265 31.823 0.014 0.000 1.010 121 V HN 0.233 nan 8.190 nan 0.000 0.443 122 P HA 0.017 nan 4.420 nan 0.000 0.260 122 P C 0.293 177.623 177.300 0.050 0.000 1.185 122 P CA 0.589 63.703 63.100 0.023 0.000 0.763 122 P CB -0.118 31.591 31.700 0.015 0.000 0.776 123 N N -0.400 118.347 118.700 0.078 0.000 2.725 123 N HA -0.208 4.532 4.740 0.001 0.000 0.249 123 N C 0.308 175.904 175.510 0.143 0.000 1.103 123 N CA 0.337 53.459 53.050 0.120 0.000 0.707 123 N CB -1.364 37.168 38.487 0.075 0.000 1.043 123 N HN 0.623 nan 8.380 nan 0.000 0.553 124 A N 0.041 122.951 122.820 0.151 0.000 2.475 124 A HA 0.221 4.541 4.320 0.001 0.000 0.239 124 A C 1.394 179.118 177.584 0.234 0.000 1.087 124 A CA 0.186 52.312 52.037 0.148 0.000 0.779 124 A CB 0.245 19.307 19.000 0.103 0.000 1.036 124 A HN 0.343 nan 8.150 nan 0.000 0.506 125 L N 0.005 121.324 121.223 0.159 0.000 2.418 125 L HA 0.081 4.422 4.340 0.001 0.000 0.218 125 L C 1.191 178.188 176.870 0.211 0.000 1.125 125 L CA 1.099 56.020 54.840 0.135 0.000 0.835 125 L CB -0.685 41.412 42.059 0.064 0.000 0.953 125 L HN 0.901 nan 8.230 nan 0.000 0.454 126 T N -4.601 110.096 114.554 0.239 0.000 2.893 126 T HA 0.299 4.649 4.350 0.001 0.000 0.291 126 T C 0.564 175.352 174.700 0.147 0.000 1.028 126 T CA -0.688 61.543 62.100 0.218 0.000 0.995 126 T CB 2.410 71.341 68.868 0.106 0.000 1.051 126 T HN -0.019 nan 8.240 nan 0.000 0.470 127 M N 0.880 120.534 119.600 0.089 0.000 2.159 127 M HA 0.003 4.484 4.480 0.001 0.000 0.263 127 M C 2.398 178.632 176.300 -0.111 0.000 1.063 127 M CA 1.502 56.685 55.300 -0.195 0.000 1.110 127 M CB -0.222 32.336 32.600 -0.069 0.000 1.374 127 M HN 0.763 nan 8.290 nan 0.000 0.411 128 R N 0.716 121.202 120.500 -0.022 0.000 2.103 128 R HA -0.178 4.162 4.340 0.001 0.000 0.242 128 R C 1.616 177.905 176.300 -0.019 0.000 1.142 128 R CA 2.298 58.391 56.100 -0.012 0.000 0.960 128 R CB -0.433 29.872 30.300 0.007 0.000 0.858 128 R HN 0.540 nan 8.270 nan 0.000 0.439 129 E N -1.057 119.136 120.200 -0.011 0.000 2.158 129 E HA -0.091 4.259 4.350 0.001 0.000 0.191 129 E C 1.856 178.438 176.600 -0.030 0.000 0.982 129 E CA 1.041 57.437 56.400 -0.006 0.000 0.823 129 E CB -0.002 29.711 29.700 0.021 0.000 0.766 129 E HN 0.142 nan 8.360 nan 0.000 0.468 130 V N 1.135 120.999 119.914 -0.084 0.000 2.548 130 V HA -0.045 4.076 4.120 0.001 0.000 0.249 130 V C 0.853 176.884 176.094 -0.105 0.000 1.055 130 V CA 0.807 63.034 62.300 -0.122 0.000 1.065 130 V CB 0.036 31.688 31.823 -0.285 0.000 0.681 130 V HN 0.069 nan 8.190 nan 0.000 0.462 131 L N 0.829 122.002 121.223 -0.084 0.000 2.379 131 L HA 0.410 4.751 4.340 0.001 0.000 0.269 131 L C -2.180 174.689 176.870 -0.000 0.000 1.084 131 L CA -1.980 52.851 54.840 -0.016 0.000 0.802 131 L CB 0.802 42.872 42.059 0.019 0.000 1.175 131 L HN 0.025 nan 8.230 nan 0.000 0.448 132 P HA -0.027 nan 4.420 nan 0.000 0.270 132 P C 0.085 177.381 177.300 -0.007 0.000 1.223 132 P CA -0.165 62.941 63.100 0.010 0.000 0.785 132 P CB 0.513 32.228 31.700 0.024 0.000 0.923 133 Q N 1.857 121.641 119.800 -0.026 0.000 2.133 133 Q HA -0.203 4.137 4.340 0.001 0.000 0.208 133 Q C 2.006 177.964 176.000 -0.070 0.000 0.991 133 Q CA 2.411 58.192 55.803 -0.037 0.000 0.867 133 Q CB -1.033 27.700 28.738 -0.007 0.000 0.911 133 Q HN 0.703 nan 8.270 nan 0.000 0.417 134 G N -0.101 108.615 108.800 -0.141 0.000 2.470 134 G HA2 -0.205 3.755 3.960 0.001 0.000 0.220 134 G HA3 -0.205 3.755 3.960 0.001 0.000 0.220 134 G C 0.566 175.464 174.900 -0.004 0.000 1.121 134 G CA 0.927 45.967 45.100 -0.101 0.000 0.766 134 G HN 0.395 nan 8.290 nan 0.000 0.553 135 D N 0.808 121.219 120.400 0.017 0.000 2.328 135 D HA 0.035 4.676 4.640 0.001 0.000 0.221 135 D C 1.896 178.212 176.300 0.028 0.000 1.072 135 D CA 0.455 54.495 54.000 0.066 0.000 0.850 135 D CB 0.090 40.928 40.800 0.064 0.000 0.922 135 D HN 0.415 nan 8.370 nan 0.000 0.516 136 D N 0.835 121.224 120.400 -0.018 0.000 2.116 136 D HA -0.198 4.442 4.640 0.001 0.000 0.193 136 D C 2.053 178.294 176.300 -0.099 0.000 0.998 136 D CA 1.586 55.566 54.000 -0.033 0.000 0.836 136 D CB -0.871 39.927 40.800 -0.002 0.000 0.951 136 D HN 0.282 nan 8.370 nan 0.000 0.449 137 V N -2.536 117.231 119.914 -0.245 0.000 2.626 137 V HA -0.065 4.055 4.120 0.001 0.000 0.252 137 V C 2.308 178.069 176.094 -0.556 0.000 1.067 137 V CA 1.016 63.050 62.300 -0.443 0.000 1.081 137 V CB -1.169 30.232 31.823 -0.703 0.000 0.686 137 V HN -0.022 nan 8.190 nan 0.000 0.468 138 F N 0.378 120.123 119.950 -0.342 0.000 2.335 138 F HA 0.153 4.681 4.527 0.001 0.000 0.296 138 F C 2.411 178.136 175.800 -0.125 0.000 1.091 138 F CA 1.246 58.991 58.000 -0.426 0.000 1.399 138 F CB -0.671 37.935 39.000 -0.656 0.000 1.067 138 F HN -0.031 nan 8.300 nan 0.000 0.520 139 V N 0.137 120.085 119.914 0.056 0.000 2.407 139 V HA -0.262 3.858 4.120 0.001 0.000 0.248 139 V C 2.037 178.162 176.094 0.052 0.000 1.055 139 V CA 1.939 64.276 62.300 0.061 0.000 1.049 139 V CB -0.594 31.245 31.823 0.027 0.000 0.662 139 V HN 0.323 nan 8.190 nan 0.000 0.455 140 E N 0.280 120.483 120.200 0.005 0.000 2.204 140 E HA -0.098 4.252 4.350 0.001 0.000 0.194 140 E C 2.198 178.814 176.600 0.026 0.000 0.989 140 E CA 1.034 57.434 56.400 -0.000 0.000 0.824 140 E CB -0.332 29.346 29.700 -0.037 0.000 0.756 140 E HN 0.640 nan 8.360 nan 0.000 0.477 141 G N -0.179 108.657 108.800 0.061 0.000 2.813 141 G HA2 0.121 4.081 3.960 0.001 0.000 0.209 141 G HA3 0.121 4.081 3.960 0.001 0.000 0.209 141 G C 1.027 176.057 174.900 0.218 0.000 1.150 141 G CA 0.219 45.414 45.100 0.159 0.000 0.785 141 G HN 0.378 nan 8.290 nan 0.000 0.535 142 G N -1.312 107.606 108.800 0.197 0.000 2.137 142 G HA2 -0.284 3.677 3.960 0.001 0.000 0.237 142 G HA3 -0.284 3.677 3.960 0.001 0.000 0.237 142 G C 0.077 175.061 174.900 0.141 0.000 1.002 142 G CA -0.057 45.121 45.100 0.130 0.000 0.702 142 G HN 0.351 nan 8.290 nan 0.000 0.515 143 Y N -0.469 119.863 120.300 0.054 0.000 2.314 143 Y HA 0.600 5.150 4.550 0.000 0.000 0.334 143 Y C 1.493 177.403 175.900 0.015 0.000 1.266 143 Y CA -0.633 57.493 58.100 0.044 0.000 1.391 143 Y CB 0.576 39.083 38.460 0.078 0.000 1.306 143 Y HN 0.175 nan 8.280 nan 0.000 0.558 144 I N 2.611 123.258 120.570 0.129 0.000 2.440 144 I HA 0.331 4.501 4.170 0.001 0.000 0.294 144 I C -0.195 175.959 176.117 0.061 0.000 0.995 144 I CA -0.707 60.636 61.300 0.072 0.000 1.306 144 I CB 1.249 39.265 38.000 0.027 0.000 1.407 144 I HN 0.403 nan 8.210 nan 0.000 0.501 145 R N 4.687 125.203 120.500 0.028 0.000 2.494 145 R HA 0.699 5.039 4.340 0.001 0.000 0.305 145 R C -1.805 174.469 176.300 -0.044 0.000 0.959 145 R CA -0.496 55.578 56.100 -0.044 0.000 0.864 145 R CB 1.575 31.868 30.300 -0.012 0.000 1.159 145 R HN 0.385 nan 8.270 nan 0.000 0.446 146 V N 5.254 125.077 119.914 -0.152 0.000 2.638 146 V HA 0.552 4.673 4.120 0.001 0.000 0.306 146 V C -1.044 174.901 176.094 -0.247 0.000 1.052 146 V CA -0.631 61.610 62.300 -0.099 0.000 0.885 146 V CB 1.649 33.435 31.823 -0.062 0.000 0.999 146 V HN 0.624 nan 8.190 nan 0.000 0.424 147 F N 2.847 122.795 119.950 -0.005 0.000 2.520 147 F HA 0.668 5.195 4.527 0.001 0.000 0.322 147 F C 0.110 175.915 175.800 0.009 0.000 1.103 147 F CA -0.284 57.725 58.000 0.016 0.000 0.926 147 F CB 2.029 41.045 39.000 0.027 0.000 1.154 147 F HN 0.425 nan 8.300 nan 0.000 0.453 148 Q N 2.443 122.367 119.800 0.207 0.000 2.372 148 Q HA 0.288 4.628 4.340 0.001 0.000 0.273 148 Q C -1.804 174.303 176.000 0.178 0.000 1.078 148 Q CA -0.969 54.916 55.803 0.136 0.000 0.806 148 Q CB 2.026 30.800 28.738 0.060 0.000 1.332 148 Q HN 0.497 nan 8.270 nan 0.000 0.435 149 D N 4.278 124.795 120.400 0.195 0.000 2.317 149 D HA 0.206 4.846 4.640 0.001 0.000 0.252 149 D C 0.522 176.913 176.300 0.152 0.000 1.174 149 D CA -0.007 54.104 54.000 0.185 0.000 0.866 149 D CB 0.532 41.467 40.800 0.224 0.000 1.127 149 D HN 0.542 nan 8.370 nan 0.000 0.467 150 I N -0.915 119.742 120.570 0.145 0.000 3.112 150 I HA 0.130 4.300 4.170 0.001 0.000 0.284 150 I C 0.879 177.097 176.117 0.169 0.000 1.227 150 I CA -0.760 60.646 61.300 0.177 0.000 1.369 150 I CB 0.609 38.757 38.000 0.247 0.000 1.376 150 I HN 0.163 nan 8.210 nan 0.000 0.608 151 R N 2.756 123.373 120.500 0.194 0.000 2.504 151 R HA 0.109 4.450 4.340 0.001 0.000 0.291 151 R C 0.981 177.413 176.300 0.220 0.000 0.974 151 R CA 1.211 57.418 56.100 0.178 0.000 1.077 151 R CB -0.280 30.125 30.300 0.174 0.000 0.926 151 R HN 1.157 nan 8.270 nan 0.000 0.407 152 G N 3.062 111.949 108.800 0.145 0.000 2.148 152 G HA2 -0.229 3.731 3.960 0.001 0.000 0.254 152 G HA3 -0.229 3.731 3.960 0.001 0.000 0.254 152 G C -0.461 174.427 174.900 -0.020 0.000 0.981 152 G CA 0.259 45.433 45.100 0.122 0.000 0.670 152 G HN 0.525 nan 8.290 nan 0.000 0.528 153 K N -0.895 119.470 120.400 -0.059 0.000 2.371 153 K HA 0.636 4.956 4.320 0.001 0.000 0.251 153 K C 0.850 177.443 176.600 -0.010 0.000 0.934 153 K CA -0.813 55.363 56.287 -0.185 0.000 0.798 153 K CB 1.634 33.992 32.500 -0.237 0.000 1.204 153 K HN 0.169 nan 8.250 nan 0.000 0.427 154 Y N 0.328 120.549 120.300 -0.132 0.000 2.796 154 Y HA -0.450 4.100 4.550 0.001 0.000 0.472 154 Y C 1.754 177.573 175.900 -0.134 0.000 1.126 154 Y CA 2.109 60.132 58.100 -0.127 0.000 2.780 154 Y CB -1.372 37.013 38.460 -0.126 0.000 1.152 154 Y HN 0.803 nan 8.280 nan 0.000 0.616 155 G N 0.019 108.821 108.800 0.003 0.000 2.985 155 G HA2 0.277 4.238 3.960 0.001 0.000 0.209 155 G HA3 0.277 4.238 3.960 0.001 0.000 0.209 155 G C -0.026 174.904 174.900 0.051 0.000 1.165 155 G CA 0.704 45.732 45.100 -0.120 0.000 0.776 155 G HN 0.260 nan 8.290 nan 0.000 0.541 156 S N 0.132 115.886 115.700 0.090 0.000 2.616 156 S HA 0.413 4.884 4.470 0.001 0.000 0.277 156 S C 0.176 174.810 174.600 0.058 0.000 1.234 156 S CA -0.554 57.705 58.200 0.099 0.000 1.028 156 S CB 1.669 64.936 63.200 0.112 0.000 0.988 156 S HN 0.419 nan 8.310 nan 0.000 0.522 157 Q N 0.357 120.191 119.800 0.057 0.000 2.222 157 Q HA 0.660 5.001 4.340 0.001 0.000 0.211 157 Q C 0.572 176.606 176.000 0.057 0.000 1.013 157 Q CA -0.372 55.458 55.803 0.044 0.000 0.993 157 Q CB 0.685 29.447 28.738 0.040 0.000 1.151 157 Q HN 0.973 nan 8.270 nan 0.000 0.544 158 G N 0.545 109.377 108.800 0.052 0.000 2.655 158 G HA2 -0.134 3.826 3.960 0.001 0.000 0.680 158 G HA3 -0.134 3.826 3.960 0.001 0.000 0.680 158 G C -1.620 173.327 174.900 0.078 0.000 1.302 158 G CA -0.876 44.263 45.100 0.066 0.000 0.872 158 G HN 0.548 nan 8.290 nan 0.000 0.540 159 D N -0.155 120.297 120.400 0.087 0.000 2.198 159 D HA 0.465 5.105 4.640 0.001 0.000 0.245 159 D C -0.338 176.051 176.300 0.149 0.000 1.079 159 D CA 0.078 54.136 54.000 0.096 0.000 0.854 159 D CB 1.363 42.201 40.800 0.064 0.000 1.148 159 D HN 0.493 nan 8.370 nan 0.000 0.456 160 Y N 2.093 122.411 120.300 0.030 0.000 2.327 160 Y HA 0.380 4.930 4.550 0.000 0.000 0.336 160 Y C -0.851 175.085 175.900 0.060 0.000 1.035 160 Y CA -0.448 57.677 58.100 0.042 0.000 1.165 160 Y CB 0.749 39.212 38.460 0.006 0.000 1.181 160 Y HN 0.057 nan 8.280 nan 0.000 0.494 161 V N 8.338 127.927 119.914 -0.542 0.000 2.444 161 V HA 0.174 4.294 4.120 0.001 0.000 0.294 161 V C -0.079 175.571 176.094 -0.739 0.000 1.022 161 V CA -1.036 60.993 62.300 -0.452 0.000 0.850 161 V CB 1.288 33.037 31.823 -0.123 0.000 0.992 161 V HN 0.884 nan 8.190 nan 0.000 0.426 162 M N 5.792 124.991 119.600 -0.667 0.000 2.284 162 M HA 0.142 4.622 4.480 0.001 0.000 0.351 162 M C 0.957 177.137 176.300 -0.200 0.000 1.443 162 M CA 0.963 55.971 55.300 -0.486 0.000 1.031 162 M CB -0.477 31.609 32.600 -0.855 0.000 1.893 162 M HN 1.174 nan 8.290 nan 0.000 0.456 163 T N 2.617 117.119 114.554 -0.088 0.000 3.361 163 T HA -0.257 4.093 4.350 0.001 0.000 0.417 163 T C 0.117 174.846 174.700 0.048 0.000 0.769 163 T CA 0.968 62.852 62.100 -0.359 0.000 2.085 163 T CB -1.550 67.071 68.868 -0.411 0.000 1.689 163 T HN 0.983 nan 8.240 nan 0.000 0.639 164 R N 1.861 122.467 120.500 0.177 0.000 2.501 164 R HA 0.147 4.487 4.340 0.001 0.000 0.319 164 R C -2.010 174.443 176.300 0.254 0.000 0.913 164 R CA -0.995 55.216 56.100 0.185 0.000 1.104 164 R CB 0.213 30.623 30.300 0.185 0.000 0.901 164 R HN 0.368 nan 8.270 nan 0.000 0.407 165 P HA 0.096 nan 4.420 nan 0.000 0.272 165 P C -2.442 174.924 177.300 0.110 0.000 1.223 165 P CA -1.143 62.024 63.100 0.110 0.000 0.784 165 P CB 0.308 32.009 31.700 0.001 0.000 0.923 166 P HA 0.027 nan 4.420 nan 0.000 0.273 166 P C -0.345 177.012 177.300 0.096 0.000 1.250 166 P CA -0.019 63.140 63.100 0.099 0.000 0.793 166 P CB 0.160 31.910 31.700 0.084 0.000 1.011 167 H N -0.578 118.508 119.070 0.026 0.000 3.034 167 H HA 0.389 4.946 4.556 0.000 0.000 0.324 167 H C 0.772 176.104 175.328 0.008 0.000 1.015 167 H CA 2.250 58.307 56.048 0.015 0.000 1.429 167 H CB -0.506 29.261 29.762 0.008 0.000 1.429 167 H HN 0.776 nan 8.280 nan 0.000 0.585 168 G N 3.810 112.324 108.800 -0.478 0.000 2.398 168 G HA2 -0.061 3.899 3.960 0.001 0.000 0.251 168 G HA3 -0.061 3.899 3.960 0.001 0.000 0.251 168 G C -2.039 172.713 174.900 -0.246 0.000 1.277 168 G CA -0.340 44.566 45.100 -0.322 0.000 0.927 168 G HN 0.461 nan 8.290 nan 0.000 0.477 169 P HA 0.030 nan 4.420 nan 0.000 0.219 169 P C 1.684 178.932 177.300 -0.087 0.000 1.146 169 P CA 1.019 64.054 63.100 -0.107 0.000 0.808 169 P CB 0.124 31.773 31.700 -0.085 0.000 0.779 170 L N -1.938 119.231 121.223 -0.089 0.000 2.567 170 L HA 0.172 4.512 4.340 0.001 0.000 0.225 170 L C 0.738 177.589 176.870 -0.031 0.000 1.119 170 L CA 0.238 55.043 54.840 -0.058 0.000 0.871 170 L CB -0.408 41.588 42.059 -0.105 0.000 1.036 170 L HN -0.002 nan 8.230 nan 0.000 0.459 171 N N 0.002 118.671 118.700 -0.053 0.000 2.732 171 N HA 0.148 4.888 4.740 0.001 0.000 0.247 171 N C -2.329 173.154 175.510 -0.044 0.000 1.305 171 N CA -1.200 51.843 53.050 -0.011 0.000 0.762 171 N CB 1.235 39.745 38.487 0.039 0.000 1.361 171 N HN -0.253 nan 8.380 nan 0.000 0.545 172 P HA 0.042 nan 4.420 nan 0.000 0.249 172 P C 0.485 177.858 177.300 0.122 0.000 1.229 172 P CA 0.300 63.389 63.100 -0.018 0.000 0.788 172 P CB -0.114 31.576 31.700 -0.017 0.000 1.072 173 T N -2.092 112.541 114.554 0.132 0.000 2.689 173 T HA 0.146 4.496 4.350 0.001 0.000 0.308 173 T C 1.204 175.994 174.700 0.151 0.000 1.021 173 T CA -0.198 61.975 62.100 0.121 0.000 0.973 173 T CB 0.711 69.631 68.868 0.086 0.000 1.113 173 T HN -0.157 nan 8.240 nan 0.000 0.522 174 K N 0.475 120.912 120.400 0.061 0.000 2.393 174 K HA 0.141 4.461 4.320 0.001 0.000 0.193 174 K C 1.048 177.633 176.600 -0.024 0.000 1.026 174 K CA 0.306 56.582 56.287 -0.019 0.000 1.064 174 K CB 0.057 32.542 32.500 -0.025 0.000 0.833 174 K HN 0.908 nan 8.250 nan 0.000 0.521 175 T N -0.500 114.075 114.554 0.035 0.000 2.916 175 T HA 0.540 4.890 4.350 0.001 0.000 0.292 175 T C -0.894 173.857 174.700 0.084 0.000 1.055 175 T CA -0.810 61.317 62.100 0.045 0.000 1.009 175 T CB 2.674 71.576 68.868 0.056 0.000 1.118 175 T HN 0.062 nan 8.240 nan 0.000 0.497 176 D N -0.320 120.133 120.400 0.089 0.000 2.838 176 D HA 0.270 4.910 4.640 0.001 0.000 0.334 176 D C 0.478 176.850 176.300 0.119 0.000 1.315 176 D CA -0.656 53.412 54.000 0.113 0.000 0.917 176 D CB 0.078 40.949 40.800 0.119 0.000 1.435 176 D HN 0.371 nan 8.370 nan 0.000 0.517 177 E N -0.633 119.643 120.200 0.126 0.000 2.347 177 E HA -0.011 4.340 4.350 0.001 0.000 0.196 177 E C 1.337 177.990 176.600 0.087 0.000 1.008 177 E CA 1.035 57.507 56.400 0.120 0.000 0.852 177 E CB -0.283 29.482 29.700 0.109 0.000 0.783 177 E HN 0.557 nan 8.360 nan 0.000 0.505 178 T N 0.486 115.088 114.554 0.081 0.000 2.851 178 T HA -0.104 4.247 4.350 0.001 0.000 0.262 178 T C 2.148 176.945 174.700 0.162 0.000 1.043 178 T CA 1.826 63.987 62.100 0.102 0.000 1.140 178 T CB -0.268 68.649 68.868 0.083 0.000 0.872 178 T HN 0.386 nan 8.240 nan 0.000 0.446 179 T N 0.579 115.207 114.554 0.124 0.000 2.904 179 T HA -0.090 4.260 4.350 0.001 0.000 0.267 179 T C 1.534 176.355 174.700 0.202 0.000 1.059 179 T CA 1.035 63.217 62.100 0.137 0.000 1.137 179 T CB -0.409 68.480 68.868 0.034 0.000 0.879 179 T HN 0.093 nan 8.240 nan 0.000 0.467 180 D N 2.016 122.510 120.400 0.158 0.000 2.117 180 D HA 0.086 4.726 4.640 0.001 0.000 0.197 180 D C 2.454 178.849 176.300 0.158 0.000 0.987 180 D CA 1.453 55.542 54.000 0.149 0.000 0.829 180 D CB -0.657 40.223 40.800 0.132 0.000 0.961 180 D HN 0.581 nan 8.370 nan 0.000 0.460 181 A N -0.235 122.682 122.820 0.161 0.000 1.969 181 A HA -0.143 4.178 4.320 0.001 0.000 0.218 181 A C 2.152 179.836 177.584 0.166 0.000 1.169 181 A CA 1.068 53.185 52.037 0.133 0.000 0.635 181 A CB -1.071 17.996 19.000 0.113 0.000 0.810 181 A HN 0.366 nan 8.150 nan 0.000 0.445 182 W N 1.114 122.459 121.300 0.075 0.000 2.354 182 W HA -0.161 4.499 4.660 0.000 0.000 0.315 182 W C 1.520 178.106 176.519 0.112 0.000 1.206 182 W CA 1.856 59.274 57.345 0.123 0.000 1.290 182 W CB 0.021 29.556 29.460 0.124 0.000 1.152 182 W HN 0.366 nan 8.180 nan 0.000 0.489 183 D N -0.831 119.859 120.400 0.484 0.000 2.178 183 D HA -0.170 4.470 4.640 0.001 0.000 0.201 183 D C 2.084 178.491 176.300 0.178 0.000 0.980 183 D CA 2.034 56.248 54.000 0.357 0.000 0.842 183 D CB -0.837 40.126 40.800 0.271 0.000 0.948 183 D HN 0.162 nan 8.370 nan 0.000 0.472 184 T N 0.447 115.065 114.554 0.106 0.000 2.737 184 T HA -0.073 4.277 4.350 0.001 0.000 0.265 184 T C 2.256 176.965 174.700 0.014 0.000 1.038 184 T CA 0.679 62.810 62.100 0.053 0.000 1.144 184 T CB -0.267 68.615 68.868 0.022 0.000 0.866 184 T HN -0.027 nan 8.240 nan 0.000 0.434 185 V N 1.764 121.599 119.914 -0.132 0.000 2.490 185 V HA -0.161 3.959 4.120 0.001 0.000 0.250 185 V C 2.326 178.119 176.094 -0.503 0.000 1.061 185 V CA 1.829 63.936 62.300 -0.321 0.000 1.064 185 V CB -0.582 30.967 31.823 -0.457 0.000 0.670 185 V HN 0.467 nan 8.190 nan 0.000 0.461 186 D N -1.235 118.842 120.400 -0.540 0.000 2.097 186 D HA -0.241 4.399 4.640 0.001 0.000 0.197 186 D C 1.875 178.205 176.300 0.050 0.000 0.984 186 D CA 1.409 55.194 54.000 -0.359 0.000 0.826 186 D CB -0.213 40.530 40.800 -0.096 0.000 0.973 186 D HN 0.544 nan 8.370 nan 0.000 0.460 187 W N 0.637 121.899 121.300 -0.063 0.000 2.363 187 W HA -0.066 4.594 4.660 0.000 0.000 0.296 187 W C 1.879 178.388 176.519 -0.017 0.000 1.212 187 W CA 1.076 58.421 57.345 -0.001 0.000 1.260 187 W CB -0.156 29.302 29.460 -0.003 0.000 1.131 187 W HN 0.008 nan 8.180 nan 0.000 0.530 188 L N 0.155 121.536 121.223 0.264 0.000 2.046 188 L HA -0.218 4.122 4.340 0.001 0.000 0.208 188 L C 2.485 179.282 176.870 -0.121 0.000 1.077 188 L CA 1.566 56.475 54.840 0.114 0.000 0.747 188 L CB -1.394 40.717 42.059 0.087 0.000 0.896 188 L HN 0.048 nan 8.230 nan 0.000 0.432 189 V N -4.067 115.743 119.914 -0.173 0.000 2.970 189 V HA -0.180 3.940 4.120 0.001 0.000 0.260 189 V C 1.607 177.458 176.094 -0.405 0.000 1.100 189 V CA 1.409 63.543 62.300 -0.277 0.000 1.122 189 V CB -0.915 30.720 31.823 -0.314 0.000 0.721 189 V HN 0.455 nan 8.190 nan 0.000 0.483 190 H N 0.349 119.271 119.070 -0.247 0.000 2.648 190 H HA 0.367 4.924 4.556 0.001 0.000 0.265 190 H C 0.920 176.010 175.328 -0.397 0.000 0.961 190 H CA 0.771 56.658 56.048 -0.267 0.000 1.185 190 H CB 0.263 29.889 29.762 -0.227 0.000 1.449 190 H HN 0.521 nan 8.280 nan 0.000 0.523 191 N N -0.258 118.150 118.700 -0.488 0.000 2.305 191 N HA 0.178 4.918 4.740 0.001 0.000 0.248 191 N C -1.285 173.969 175.510 -0.426 0.000 1.290 191 N CA 0.077 52.733 53.050 -0.658 0.000 0.873 191 N CB 2.171 39.730 38.487 -1.547 0.000 1.261 191 N HN -0.105 nan 8.380 nan 0.000 0.504 192 V N 1.567 121.332 119.914 -0.248 0.000 2.380 192 V HA 0.271 4.391 4.120 0.001 0.000 0.268 192 V C -1.858 174.171 176.094 -0.108 0.000 1.008 192 V CA -1.157 61.069 62.300 -0.123 0.000 0.823 192 V CB 1.607 33.394 31.823 -0.060 0.000 1.053 192 V HN -0.020 nan 8.190 nan 0.000 0.446 193 P HA -0.111 nan 4.420 nan 0.000 0.219 193 P C 1.131 178.393 177.300 -0.064 0.000 1.146 193 P CA 1.047 64.099 63.100 -0.080 0.000 0.808 193 P CB 0.454 32.116 31.700 -0.063 0.000 0.779 194 E N -0.456 119.715 120.200 -0.050 0.000 2.418 194 E HA -0.026 4.325 4.350 0.001 0.000 0.197 194 E C 0.871 177.439 176.600 -0.055 0.000 1.026 194 E CA 0.294 56.669 56.400 -0.041 0.000 0.862 194 E CB -0.421 29.267 29.700 -0.019 0.000 0.799 194 E HN 0.336 nan 8.360 nan 0.000 0.518 195 S N 0.773 116.431 115.700 -0.070 0.000 2.687 195 S HA 0.189 4.659 4.470 0.001 0.000 0.283 195 S C 0.712 175.251 174.600 -0.102 0.000 1.170 195 S CA -0.757 57.391 58.200 -0.087 0.000 1.008 195 S CB 1.012 64.160 63.200 -0.088 0.000 1.026 195 S HN 0.144 nan 8.310 nan 0.000 0.541 196 N N 0.054 118.686 118.700 -0.112 0.000 2.322 196 N HA 0.203 4.943 4.740 0.001 0.000 0.194 196 N C 1.185 176.624 175.510 -0.118 0.000 1.126 196 N CA 0.373 53.356 53.050 -0.111 0.000 0.845 196 N CB -0.434 37.985 38.487 -0.113 0.000 0.976 196 N HN 1.345 nan 8.380 nan 0.000 0.475 197 G N 0.270 108.992 108.800 -0.130 0.000 2.162 197 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 197 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 197 G C -0.388 174.436 174.900 -0.127 0.000 0.976 197 G CA -0.031 44.981 45.100 -0.147 0.000 0.655 197 G HN 0.422 nan 8.290 nan 0.000 0.533 198 R N 0.054 120.485 120.500 -0.116 0.000 2.295 198 R HA 0.608 4.948 4.340 0.001 0.000 0.324 198 R C -0.568 175.670 176.300 -0.102 0.000 0.968 198 R CA -0.558 55.479 56.100 -0.104 0.000 0.837 198 R CB 2.081 32.320 30.300 -0.102 0.000 1.133 198 R HN 0.149 nan 8.270 nan 0.000 0.450 199 V N 1.567 121.419 119.914 -0.103 0.000 2.495 199 V HA 0.624 4.744 4.120 0.001 0.000 0.298 199 V C 0.453 176.482 176.094 -0.110 0.000 1.031 199 V CA -0.835 61.409 62.300 -0.093 0.000 0.871 199 V CB 2.123 33.883 31.823 -0.104 0.000 0.988 199 V HN 0.913 nan 8.190 nan 0.000 0.432 200 G N 4.007 112.760 108.800 -0.078 0.000 2.461 200 G HA2 0.707 4.667 3.960 0.001 0.000 0.323 200 G HA3 0.707 4.667 3.960 0.001 0.000 0.323 200 G C -0.912 174.014 174.900 0.044 0.000 1.229 200 G CA -0.675 44.349 45.100 -0.126 0.000 0.941 200 G HN 0.525 nan 8.290 nan 0.000 0.477 201 M N 1.352 120.995 119.600 0.072 0.000 2.436 201 M HA 0.569 5.050 4.480 0.001 0.000 0.331 201 M C -0.070 176.345 176.300 0.191 0.000 1.135 201 M CA -0.510 54.842 55.300 0.088 0.000 0.987 201 M CB 2.565 35.182 32.600 0.028 0.000 1.687 201 M HN 0.585 nan 8.290 nan 0.000 0.445 202 T N 1.051 115.665 114.554 0.100 0.000 2.762 202 T HA 0.893 5.244 4.350 0.001 0.000 0.301 202 T C -1.285 173.452 174.700 0.062 0.000 1.299 202 T CA -0.054 62.106 62.100 0.099 0.000 1.005 202 T CB 2.137 71.090 68.868 0.141 0.000 1.377 202 T HN 1.007 nan 8.240 nan 0.000 0.504 203 G N 0.835 109.682 108.800 0.080 0.000 2.352 203 G HA2 0.423 4.383 3.960 0.001 0.000 0.303 203 G HA3 0.423 4.383 3.960 0.001 0.000 0.303 203 G C -1.289 173.693 174.900 0.137 0.000 1.593 203 G CA 0.014 45.191 45.100 0.128 0.000 0.963 203 G HN 0.780 nan 8.290 nan 0.000 0.685 204 S N 0.030 115.830 115.700 0.165 0.000 2.537 204 S HA 0.856 5.327 4.470 0.001 0.000 0.301 204 S C 0.948 175.703 174.600 0.259 0.000 1.092 204 S CA 1.275 59.558 58.200 0.139 0.000 1.048 204 S CB 1.429 64.642 63.200 0.022 0.000 1.053 204 S HN 2.446 nan 8.310 nan 0.000 0.501 205 S N 2.257 118.130 115.700 0.289 0.000 4.116 205 S HA -0.320 4.150 4.470 0.001 0.000 0.623 205 S C 0.841 175.716 174.600 0.458 0.000 1.933 205 S CA 1.422 59.890 58.200 0.447 0.000 4.224 205 S CB -1.910 61.642 63.200 0.585 0.000 0.208 205 S HN 1.003 nan 8.310 nan 0.000 0.527 206 Y N 2.264 122.821 120.300 0.428 0.000 2.274 206 Y HA -0.022 4.528 4.550 0.001 0.000 0.290 206 Y C 2.426 178.568 175.900 0.404 0.000 1.145 206 Y CA 2.185 60.517 58.100 0.387 0.000 1.203 206 Y CB -0.162 38.486 38.460 0.313 0.000 0.984 206 Y HN 0.597 nan 8.280 nan 0.000 0.533 207 E N -0.979 119.574 120.200 0.589 0.000 2.268 207 E HA -0.141 4.209 4.350 0.001 0.000 0.195 207 E C 2.273 179.069 176.600 0.327 0.000 0.995 207 E CA 0.743 57.402 56.400 0.432 0.000 0.836 207 E CB -0.240 29.686 29.700 0.377 0.000 0.763 207 E HN 0.613 nan 8.360 nan 0.000 0.491 208 G N 0.784 109.776 108.800 0.321 0.000 2.408 208 G HA2 -0.227 3.733 3.960 0.001 0.000 0.215 208 G HA3 -0.227 3.733 3.960 0.001 0.000 0.215 208 G C 1.315 176.374 174.900 0.266 0.000 1.156 208 G CA 0.048 45.296 45.100 0.245 0.000 0.793 208 G HN 0.265 nan 8.290 nan 0.000 0.535 209 F N 3.149 123.194 119.950 0.157 0.000 2.126 209 F HA -0.188 4.339 4.527 0.000 0.000 0.299 209 F C 2.882 178.754 175.800 0.120 0.000 1.096 209 F CA 2.409 60.467 58.000 0.096 0.000 1.255 209 F CB -0.557 38.392 39.000 -0.085 0.000 0.997 209 F HN 0.196 nan 8.300 nan 0.000 0.479 210 T N -2.084 112.548 114.554 0.131 0.000 2.867 210 T HA -0.120 4.230 4.350 0.001 0.000 0.268 210 T C 1.955 176.649 174.700 -0.011 0.000 1.057 210 T CA 1.367 63.484 62.100 0.030 0.000 1.136 210 T CB -1.217 67.796 68.868 0.241 0.000 0.874 210 T HN 0.186 nan 8.240 nan 0.000 0.466 211 V N 1.207 121.142 119.914 0.035 0.000 2.323 211 V HA -0.093 4.027 4.120 0.001 0.000 0.244 211 V C 2.920 179.004 176.094 -0.018 0.000 1.041 211 V CA 1.144 63.452 62.300 0.012 0.000 1.025 211 V CB -0.690 31.138 31.823 0.009 0.000 0.656 211 V HN 0.370 nan 8.190 nan 0.000 0.451 212 V N -0.402 119.510 119.914 -0.004 0.000 2.332 212 V HA -0.300 3.821 4.120 0.001 0.000 0.248 212 V C 2.556 178.639 176.094 -0.019 0.000 1.055 212 V CA 1.916 64.249 62.300 0.055 0.000 1.038 212 V CB -0.612 31.315 31.823 0.175 0.000 0.651 212 V HN 0.411 nan 8.190 nan 0.000 0.450 213 M N -0.266 119.226 119.600 -0.180 0.000 2.213 213 M HA -0.125 4.356 4.480 0.001 0.000 0.263 213 M C 2.326 178.607 176.300 -0.031 0.000 1.062 213 M CA 2.088 57.284 55.300 -0.173 0.000 1.105 213 M CB -1.406 30.977 32.600 -0.362 0.000 1.385 213 M HN 0.430 nan 8.290 nan 0.000 0.417 214 A N -0.132 122.685 122.820 -0.005 0.000 1.968 214 A HA -0.045 4.275 4.320 0.001 0.000 0.217 214 A C 2.196 179.822 177.584 0.071 0.000 1.169 214 A CA 0.870 52.939 52.037 0.054 0.000 0.638 214 A CB -0.747 18.280 19.000 0.044 0.000 0.812 214 A HN 0.472 nan 8.150 nan 0.000 0.446 215 L N -0.268 120.986 121.223 0.052 0.000 2.456 215 L HA -0.087 4.254 4.340 0.001 0.000 0.224 215 L C 2.134 179.060 176.870 0.094 0.000 1.148 215 L CA 0.260 55.142 54.840 0.071 0.000 0.825 215 L CB -0.399 41.706 42.059 0.077 0.000 0.937 215 L HN 0.393 nan 8.230 nan 0.000 0.450 216 L N -0.671 120.605 121.223 0.088 0.000 2.093 216 L HA -0.104 4.236 4.340 0.001 0.000 0.208 216 L C 0.541 177.466 176.870 0.092 0.000 1.085 216 L CA 1.009 55.902 54.840 0.088 0.000 0.755 216 L CB -0.098 42.006 42.059 0.074 0.000 0.904 216 L HN 0.224 nan 8.230 nan 0.000 0.435 217 D N -0.525 119.944 120.400 0.115 0.000 2.668 217 D HA 0.184 4.824 4.640 0.001 0.000 0.247 217 D C -2.612 173.841 176.300 0.255 0.000 1.268 217 D CA -1.562 52.525 54.000 0.146 0.000 0.842 217 D CB 1.101 41.962 40.800 0.101 0.000 1.399 217 D HN -0.135 nan 8.370 nan 0.000 0.530 218 P HA 0.139 nan 4.420 nan 0.000 0.278 218 P C -0.022 177.388 177.300 0.183 0.000 1.238 218 P CA -0.298 62.909 63.100 0.179 0.000 0.794 218 P CB 0.744 32.492 31.700 0.079 0.000 0.955 219 H N 4.788 123.792 119.070 -0.110 0.000 2.815 219 H HA 0.053 4.610 4.556 0.000 0.000 0.350 219 H C -1.188 174.024 175.328 -0.195 0.000 1.080 219 H CA -1.125 54.660 56.048 -0.440 0.000 1.433 219 H CB 0.836 30.131 29.762 -0.780 0.000 1.432 219 H HN 0.252 nan 8.280 nan 0.000 0.592 220 P HA -0.108 nan 4.420 nan 0.000 0.223 220 P C 0.732 178.019 177.300 -0.023 0.000 1.144 220 P CA 1.248 64.254 63.100 -0.156 0.000 0.783 220 P CB 0.047 31.628 31.700 -0.199 0.000 0.771 221 A N -0.828 122.104 122.820 0.188 0.000 2.218 221 A HA 0.070 4.390 4.320 0.001 0.000 0.209 221 A C 1.064 178.635 177.584 -0.022 0.000 1.168 221 A CA -0.054 52.028 52.037 0.074 0.000 0.804 221 A CB -0.810 18.210 19.000 0.033 0.000 0.834 221 A HN 0.177 nan 8.150 nan 0.000 0.482 222 L N 0.680 121.892 121.223 -0.018 0.000 2.363 222 L HA 0.266 4.606 4.340 0.001 0.000 0.286 222 L C 0.625 177.430 176.870 -0.108 0.000 1.106 222 L CA 0.129 54.926 54.840 -0.073 0.000 0.859 222 L CB 0.311 42.341 42.059 -0.049 0.000 1.223 222 L HN -0.003 nan 8.230 nan 0.000 0.446 223 K N 3.806 124.114 120.400 -0.153 0.000 2.361 223 K HA 0.324 4.644 4.320 0.001 0.000 0.194 223 K C -0.307 176.086 176.600 -0.346 0.000 1.032 223 K CA 0.254 56.423 56.287 -0.196 0.000 1.048 223 K CB 0.547 32.966 32.500 -0.134 0.000 0.842 223 K HN 0.397 nan 8.250 nan 0.000 0.526 224 V N -0.527 119.162 119.914 -0.375 0.000 3.177 224 V HA 0.640 4.761 4.120 0.001 0.000 0.287 224 V C -2.066 173.823 176.094 -0.342 0.000 1.465 224 V CA -0.793 61.215 62.300 -0.487 0.000 1.020 224 V CB 2.156 33.503 31.823 -0.793 0.000 1.152 224 V HN 0.139 nan 8.190 nan 0.000 0.448 225 A N 3.873 126.628 122.820 -0.109 0.000 2.475 225 A HA 1.033 5.354 4.320 0.001 0.000 0.301 225 A C -0.441 177.253 177.584 0.184 0.000 1.059 225 A CA -0.145 51.919 52.037 0.045 0.000 0.710 225 A CB 2.120 21.073 19.000 -0.079 0.000 1.288 225 A HN 2.288 nan 8.150 nan 0.000 0.408 226 A N 2.424 125.354 122.820 0.183 0.000 3.127 226 A HA 0.693 5.014 4.320 0.001 0.000 0.319 226 A C -3.091 174.416 177.584 -0.127 0.000 1.104 226 A CA -1.284 50.743 52.037 -0.017 0.000 0.802 226 A CB 0.300 19.220 19.000 -0.134 0.000 1.193 226 A HN 0.420 nan 8.150 nan 0.000 0.479 227 P HA 0.315 nan 4.420 nan 0.000 0.276 227 P C -0.465 176.833 177.300 -0.003 0.000 1.243 227 P CA 0.465 63.496 63.100 -0.115 0.000 0.768 227 P CB 0.743 32.301 31.700 -0.238 0.000 0.856 228 E N 1.376 121.607 120.200 0.051 0.000 2.171 228 E HA 0.280 4.631 4.350 0.001 0.000 0.271 228 E C -0.095 176.582 176.600 0.129 0.000 0.916 228 E CA -0.734 55.695 56.400 0.049 0.000 0.774 228 E CB 0.725 30.413 29.700 -0.020 0.000 1.128 228 E HN 0.230 nan 8.360 nan 0.000 0.403 229 S N 2.429 118.223 115.700 0.157 0.000 3.348 229 S HA -0.142 4.329 4.470 0.001 0.000 0.366 229 S C -2.149 172.633 174.600 0.303 0.000 0.953 229 S CA 0.251 58.591 58.200 0.233 0.000 1.255 229 S CB -1.530 61.784 63.200 0.190 0.000 0.906 229 S HN 0.462 nan 8.310 nan 0.000 0.495 230 P HA 0.264 nan 4.420 nan 0.000 0.276 230 P C -0.156 177.324 177.300 0.299 0.000 1.252 230 P CA -0.667 62.630 63.100 0.329 0.000 0.802 230 P CB 0.552 32.480 31.700 0.380 0.000 1.035 231 M N 1.949 121.715 119.600 0.278 0.000 2.135 231 M HA 0.112 4.593 4.480 0.001 0.000 0.345 231 M C 0.813 177.291 176.300 0.298 0.000 1.340 231 M CA -0.246 55.156 55.300 0.171 0.000 1.162 231 M CB 0.557 33.148 32.600 -0.015 0.000 1.570 231 M HN 0.101 nan 8.290 nan 0.000 0.454 232 V N 0.412 120.486 119.914 0.267 0.000 2.721 232 V HA 0.132 4.252 4.120 0.001 0.000 0.236 232 V C 0.228 176.485 176.094 0.271 0.000 1.116 232 V CA 0.909 63.395 62.300 0.310 0.000 1.148 232 V CB 0.429 32.444 31.823 0.321 0.000 0.886 232 V HN 0.726 nan 8.190 nan 0.000 0.490 233 D N -0.063 120.451 120.400 0.191 0.000 2.421 233 D HA 0.336 4.976 4.640 0.001 0.000 0.254 233 D C 0.873 177.149 176.300 -0.041 0.000 1.238 233 D CA 0.283 54.341 54.000 0.096 0.000 0.919 233 D CB 1.558 42.324 40.800 -0.058 0.000 1.152 233 D HN 0.201 nan 8.370 nan 0.000 0.552 234 G N 1.889 110.756 108.800 0.112 0.000 2.598 234 G HA2 -0.206 3.754 3.960 0.001 0.000 0.215 234 G HA3 -0.206 3.754 3.960 0.001 0.000 0.215 234 G C 1.028 175.938 174.900 0.016 0.000 1.131 234 G CA 0.060 45.156 45.100 -0.007 0.000 0.785 234 G HN 0.538 nan 8.290 nan 0.000 0.539 235 W N -0.087 121.046 121.300 -0.278 0.000 2.630 235 W HA 0.259 4.919 4.660 0.000 0.000 0.275 235 W C 2.335 178.446 176.519 -0.680 0.000 1.192 235 W CA 0.194 57.248 57.345 -0.485 0.000 1.410 235 W CB 0.281 29.329 29.460 -0.688 0.000 1.075 235 W HN -0.029 nan 8.180 nan 0.000 0.581 236 M N -0.398 118.817 119.600 -0.641 0.000 2.132 236 M HA 0.166 4.646 4.480 0.001 0.000 0.263 236 M C 1.417 176.765 176.300 -1.588 0.000 1.065 236 M CA 1.854 56.331 55.300 -1.372 0.000 1.122 236 M CB -1.264 30.081 32.600 -2.091 0.000 1.365 236 M HN 0.242 nan 8.290 nan 0.000 0.411 237 G N -0.882 107.191 108.800 -1.212 0.000 5.413 237 G HA2 0.093 4.053 3.960 0.001 0.000 0.206 237 G HA3 0.093 4.053 3.960 0.001 0.000 0.206 237 G C -0.268 174.376 174.900 -0.427 0.000 0.794 237 G CA -0.413 44.124 45.100 -0.939 0.000 0.751 237 G HN 0.185 nan 8.290 nan 0.000 0.334 238 D N -0.007 120.245 120.400 -0.246 0.000 3.213 238 D HA 0.169 4.809 4.640 0.001 0.000 0.229 238 D C 0.928 177.127 176.300 -0.168 0.000 1.179 238 D CA -0.155 53.779 54.000 -0.110 0.000 1.218 238 D CB 0.644 41.374 40.800 -0.117 0.000 0.950 238 D HN -0.070 nan 8.370 nan 0.000 0.232 239 D N -0.679 119.426 120.400 -0.492 0.000 2.240 239 D HA 0.001 4.641 4.640 0.001 0.000 0.206 239 D C 2.105 178.039 176.300 -0.609 0.000 0.963 239 D CA 0.579 54.141 54.000 -0.731 0.000 0.863 239 D CB 0.320 40.358 40.800 -1.271 0.000 0.973 239 D HN 0.374 nan 8.370 nan 0.000 0.501 240 W N -0.072 121.165 121.300 -0.105 0.000 2.580 240 W HA 0.134 4.794 4.660 0.001 0.000 0.287 240 W C 0.518 176.700 176.519 -0.562 0.000 1.175 240 W CA -0.463 56.738 57.345 -0.241 0.000 1.409 240 W CB 0.104 29.612 29.460 0.079 0.000 1.101 240 W HN -0.242 nan 8.180 nan 0.000 0.558 241 F N -1.242 118.662 119.950 -0.078 0.000 2.613 241 F HA 0.411 4.939 4.527 0.000 0.000 0.314 241 F C -0.366 175.290 175.800 -0.240 0.000 1.075 241 F CA -1.397 56.448 58.000 -0.258 0.000 0.945 241 F CB 1.196 39.719 39.000 -0.794 0.000 1.310 241 F HN -0.284 nan 8.300 nan 0.000 0.467 242 H N 1.597 120.557 119.070 -0.183 0.000 2.762 242 H HA 0.217 4.774 4.556 0.001 0.000 0.310 242 H C -1.109 173.962 175.328 -0.429 0.000 1.004 242 H CA -0.871 54.996 56.048 -0.302 0.000 1.267 242 H CB 0.707 30.459 29.762 -0.016 0.000 1.437 242 H HN 0.662 nan 8.280 nan 0.000 0.498 243 Y N 1.878 121.800 120.300 -0.630 0.000 3.108 243 Y HA -0.311 4.240 4.550 0.000 0.000 0.208 243 Y C 1.557 176.891 175.900 -0.943 0.000 1.245 243 Y CA 1.428 59.065 58.100 -0.772 0.000 1.171 243 Y CB -1.760 36.409 38.460 -0.486 0.000 1.331 243 Y HN 1.140 nan 8.280 nan 0.000 0.534 244 G N -2.063 105.816 108.800 -1.534 0.000 2.253 244 G HA2 -0.079 3.881 3.960 0.001 0.000 0.251 244 G HA3 -0.079 3.881 3.960 0.001 0.000 0.251 244 G C 0.402 175.208 174.900 -0.156 0.000 0.998 244 G CA -0.130 44.273 45.100 -1.161 0.000 0.621 244 G HN 1.595 nan 8.290 nan 0.000 0.524 245 A N 0.502 123.287 122.820 -0.058 0.000 2.347 245 A HA 0.638 4.958 4.320 0.001 0.000 0.287 245 A C -0.078 177.702 177.584 0.328 0.000 1.199 245 A CA -0.281 51.844 52.037 0.147 0.000 0.851 245 A CB 0.122 19.095 19.000 -0.045 0.000 1.118 245 A HN 1.287 nan 8.150 nan 0.000 0.525 246 F N 3.025 123.065 119.950 0.151 0.000 2.495 246 F HA 0.365 4.892 4.527 0.001 0.000 0.365 246 F C 0.744 176.421 175.800 -0.204 0.000 1.090 246 F CA -0.122 57.778 58.000 -0.167 0.000 1.235 246 F CB 0.645 39.586 39.000 -0.098 0.000 1.119 246 F HN 0.567 nan 8.300 nan 0.000 0.562 247 R N 5.845 125.563 120.500 -1.304 0.000 2.198 247 R HA 0.141 4.481 4.340 0.001 0.000 0.339 247 R C 0.834 176.066 176.300 -1.781 0.000 1.020 247 R CA -0.287 54.994 56.100 -1.364 0.000 0.864 247 R CB 0.784 30.462 30.300 -1.037 0.000 1.105 247 R HN 0.771 nan 8.270 nan 0.000 0.463 248 Q N 1.340 120.270 119.800 -1.451 0.000 2.488 248 Q HA -0.056 4.284 4.340 0.001 0.000 0.211 248 Q C 1.665 176.752 176.000 -1.522 0.000 0.967 248 Q CA 0.935 55.928 55.803 -1.349 0.000 0.926 248 Q CB 0.342 28.433 28.738 -1.078 0.000 0.992 248 Q HN 0.872 nan 8.270 nan 0.000 0.506 249 G N 0.707 108.388 108.800 -1.864 0.000 2.598 249 G HA2 -0.084 3.876 3.960 0.001 0.000 0.215 249 G HA3 -0.084 3.876 3.960 0.001 0.000 0.215 249 G C 1.430 175.689 174.900 -1.069 0.000 1.131 249 G CA 0.600 44.503 45.100 -1.995 0.000 0.785 249 G HN 0.380 nan 8.290 nan 0.000 0.539 250 A N 0.794 123.013 122.820 -1.001 0.000 1.978 250 A HA 0.066 4.386 4.320 0.001 0.000 0.220 250 A C 2.014 179.017 177.584 -0.969 0.000 1.170 250 A CA 1.193 52.755 52.037 -0.791 0.000 0.636 250 A CB -0.484 18.115 19.000 -0.668 0.000 0.810 250 A HN 0.259 nan 8.150 nan 0.000 0.448 251 F N 0.803 120.385 119.950 -0.614 0.000 2.069 251 F HA -0.174 4.354 4.527 0.001 0.000 0.298 251 F C 2.187 177.831 175.800 -0.260 0.000 1.113 251 F CA 1.317 59.084 58.000 -0.389 0.000 1.214 251 F CB -0.930 38.020 39.000 -0.084 0.000 0.978 251 F HN 0.233 nan 8.300 nan 0.000 0.474 252 D N -1.253 119.125 120.400 -0.036 0.000 2.144 252 D HA -0.243 4.397 4.640 0.001 0.000 0.199 252 D C 2.147 178.446 176.300 -0.001 0.000 0.984 252 D CA 1.215 55.205 54.000 -0.017 0.000 0.834 252 D CB -0.668 40.099 40.800 -0.053 0.000 0.955 252 D HN 0.356 nan 8.370 nan 0.000 0.465 253 Y N 0.428 120.629 120.300 -0.165 0.000 2.224 253 Y HA -0.212 4.339 4.550 0.001 0.000 0.289 253 Y C 2.160 178.156 175.900 0.160 0.000 1.146 253 Y CA 1.483 59.573 58.100 -0.018 0.000 1.182 253 Y CB -0.420 38.033 38.460 -0.012 0.000 0.983 253 Y HN -0.080 nan 8.280 nan 0.000 0.524 254 F N -1.639 118.402 119.950 0.151 0.000 2.146 254 F HA -0.237 4.290 4.527 0.001 0.000 0.298 254 F C 2.228 178.004 175.800 -0.041 0.000 1.096 254 F CA 0.801 58.840 58.000 0.066 0.000 1.275 254 F CB -0.512 38.541 39.000 0.089 0.000 1.008 254 F HN -0.142 nan 8.300 nan 0.000 0.480 255 V N -1.026 118.932 119.914 0.073 0.000 2.548 255 V HA -0.248 3.872 4.120 0.001 0.000 0.249 255 V C 2.354 178.488 176.094 0.068 0.000 1.055 255 V CA 1.900 64.207 62.300 0.013 0.000 1.065 255 V CB -0.487 31.296 31.823 -0.067 0.000 0.681 255 V HN 0.346 nan 8.190 nan 0.000 0.462 256 S N -0.783 114.921 115.700 0.008 0.000 2.387 256 S HA -0.162 4.308 4.470 0.001 0.000 0.226 256 S C 1.908 176.467 174.600 -0.068 0.000 1.026 256 S CA 1.154 59.340 58.200 -0.024 0.000 0.972 256 S CB -0.062 63.118 63.200 -0.033 0.000 0.814 256 S HN 0.587 nan 8.310 nan 0.000 0.477 257 Q N -0.486 119.230 119.800 -0.139 0.000 2.378 257 Q HA 0.328 4.668 4.340 0.001 0.000 0.216 257 Q C 0.917 176.862 176.000 -0.093 0.000 0.892 257 Q CA 0.406 56.095 55.803 -0.190 0.000 0.931 257 Q CB 0.320 28.836 28.738 -0.369 0.000 1.086 257 Q HN 0.580 nan 8.270 nan 0.000 0.528 258 M N -0.846 118.808 119.600 0.091 0.000 2.414 258 M HA 0.141 4.622 4.480 0.001 0.000 0.357 258 M C 0.911 177.329 176.300 0.198 0.000 1.059 258 M CA 0.081 55.495 55.300 0.190 0.000 0.959 258 M CB 0.889 33.698 32.600 0.347 0.000 1.522 258 M HN -0.147 nan 8.290 nan 0.000 0.551 259 T N 1.044 115.698 114.554 0.166 0.000 2.896 259 T HA 0.239 4.589 4.350 0.001 0.000 0.263 259 T C 0.725 175.408 174.700 -0.027 0.000 1.050 259 T CA 0.995 63.163 62.100 0.113 0.000 1.140 259 T CB 0.207 69.153 68.868 0.130 0.000 0.877 259 T HN 0.472 nan 8.240 nan 0.000 0.457 260 A N -0.202 122.574 122.820 -0.073 0.000 2.594 260 A HA 0.686 5.006 4.320 0.001 0.000 0.291 260 A C 0.845 178.298 177.584 -0.218 0.000 1.105 260 A CA -0.678 51.283 52.037 -0.126 0.000 0.694 260 A CB 0.928 19.856 19.000 -0.121 0.000 1.291 260 A HN 0.072 nan 8.150 nan 0.000 0.410 261 R N 0.115 120.485 120.500 -0.216 0.000 2.096 261 R HA -0.131 4.209 4.340 0.001 0.000 0.240 261 R C 1.266 177.234 176.300 -0.554 0.000 1.139 261 R CA 2.428 58.355 56.100 -0.288 0.000 0.952 261 R CB -0.416 29.773 30.300 -0.184 0.000 0.854 261 R HN 0.883 nan 8.270 nan 0.000 0.436 262 G N -1.121 107.356 108.800 -0.538 0.000 2.829 262 G HA2 0.355 4.315 3.960 0.001 0.000 0.173 262 G HA3 0.355 4.315 3.960 0.001 0.000 0.173 262 G C -0.404 174.043 174.900 -0.755 0.000 1.476 262 G CA -0.180 44.374 45.100 -0.911 0.000 1.072 262 G HN 0.429 nan 8.290 nan 0.000 0.577 263 G N -1.057 107.587 108.800 -0.260 0.000 2.491 263 G HA2 0.504 4.464 3.960 0.001 0.000 0.242 263 G HA3 0.504 4.464 3.960 0.001 0.000 0.242 263 G C 0.162 175.027 174.900 -0.058 0.000 1.266 263 G CA 0.605 45.694 45.100 -0.019 0.000 0.844 263 G HN 0.830 nan 8.290 nan 0.000 0.571 264 G N 0.348 109.134 108.800 -0.024 0.000 3.140 264 G HA2 0.598 4.558 3.960 0.001 0.000 0.271 264 G HA3 0.598 4.558 3.960 0.001 0.000 0.271 264 G C -0.675 174.231 174.900 0.010 0.000 1.370 264 G CA -0.817 44.276 45.100 -0.011 0.000 1.014 264 G HN 0.591 nan 8.290 nan 0.000 0.541 265 N N -0.669 118.040 118.700 0.015 0.000 2.531 265 N HA 0.386 5.126 4.740 0.001 0.000 0.290 265 N C -1.178 174.340 175.510 0.013 0.000 1.257 265 N CA -0.493 52.565 53.050 0.013 0.000 0.863 265 N CB 2.061 40.553 38.487 0.008 0.000 1.320 265 N HN 0.354 nan 8.380 nan 0.000 0.538 266 D N 0.320 120.725 120.400 0.009 0.000 2.411 266 D HA 0.363 5.003 4.640 0.001 0.000 0.251 266 D C 0.115 176.416 176.300 0.002 0.000 1.201 266 D CA -0.084 53.921 54.000 0.009 0.000 0.996 266 D CB 0.999 41.806 40.800 0.011 0.000 1.101 266 D HN 0.292 nan 8.370 nan 0.000 0.504 267 I N 2.194 122.770 120.570 0.009 0.000 2.352 267 I HA 0.155 4.326 4.170 0.001 0.000 0.290 267 I C -1.901 174.205 176.117 -0.018 0.000 1.036 267 I CA -1.664 59.625 61.300 -0.018 0.000 1.336 267 I CB 0.736 38.732 38.000 -0.007 0.000 1.407 267 I HN 0.049 nan 8.210 nan 0.000 0.497 268 P HA 0.084 nan 4.420 nan 0.000 0.264 268 P C -0.681 176.591 177.300 -0.047 0.000 1.183 268 P CA -0.017 63.057 63.100 -0.043 0.000 0.763 268 P CB 0.450 32.116 31.700 -0.057 0.000 0.807 269 R N 2.281 122.767 120.500 -0.023 0.000 2.732 269 R HA 0.355 4.696 4.340 0.001 0.000 0.278 269 R C 1.036 177.323 176.300 -0.021 0.000 0.976 269 R CA -0.905 55.189 56.100 -0.011 0.000 0.963 269 R CB 1.440 31.750 30.300 0.016 0.000 1.150 269 R HN 0.336 nan 8.270 nan 0.000 0.478 270 R N 0.446 120.936 120.500 -0.017 0.000 2.057 270 R HA 0.079 4.419 4.340 0.001 0.000 0.224 270 R C 0.085 176.385 176.300 0.000 0.000 1.136 270 R CA 1.459 57.550 56.100 -0.015 0.000 0.968 270 R CB 0.039 30.328 30.300 -0.019 0.000 0.863 270 R HN 0.623 nan 8.270 nan 0.000 0.433 271 D N -1.423 118.986 120.400 0.015 0.000 2.269 271 D HA 0.279 4.919 4.640 0.001 0.000 0.244 271 D C 0.038 176.346 176.300 0.014 0.000 0.992 271 D CA 0.211 54.224 54.000 0.022 0.000 0.894 271 D CB 2.183 43.010 40.800 0.045 0.000 1.248 271 D HN 0.252 nan 8.370 nan 0.000 0.468 272 A N 2.274 125.097 122.820 0.005 0.000 2.067 272 A HA -0.073 4.247 4.320 0.001 0.000 0.219 272 A C 0.813 178.381 177.584 -0.026 0.000 1.158 272 A CA 0.879 52.907 52.037 -0.015 0.000 0.661 272 A CB 0.030 19.020 19.000 -0.016 0.000 0.801 272 A HN 0.508 nan 8.150 nan 0.000 0.452 273 D N -0.440 119.967 120.400 0.012 0.000 2.274 273 D HA 0.278 4.918 4.640 0.001 0.000 0.239 273 D C -0.190 176.158 176.300 0.080 0.000 1.104 273 D CA -0.464 53.557 54.000 0.035 0.000 0.840 273 D CB 0.873 41.721 40.800 0.080 0.000 1.100 273 D HN 0.011 nan 8.370 nan 0.000 0.477 274 D N 2.375 122.793 120.400 0.030 0.000 2.312 274 D HA -0.151 4.489 4.640 0.001 0.000 0.211 274 D C 1.282 177.717 176.300 0.225 0.000 0.964 274 D CA 0.514 54.585 54.000 0.119 0.000 0.877 274 D CB -0.021 40.758 40.800 -0.036 0.000 0.924 274 D HN 0.564 nan 8.370 nan 0.000 0.515 275 Y N 1.415 121.776 120.300 0.101 0.000 2.224 275 Y HA -0.216 4.334 4.550 0.000 0.000 0.289 275 Y C 2.202 178.292 175.900 0.317 0.000 1.146 275 Y CA 1.607 59.847 58.100 0.232 0.000 1.182 275 Y CB -0.212 38.381 38.460 0.222 0.000 0.983 275 Y HN -0.117 nan 8.280 nan 0.000 0.524 276 T N 0.535 115.335 114.554 0.410 0.000 2.770 276 T HA -0.153 4.198 4.350 0.001 0.000 0.263 276 T C 1.654 176.472 174.700 0.197 0.000 1.039 276 T CA 1.334 63.600 62.100 0.276 0.000 1.142 276 T CB -0.313 68.671 68.868 0.195 0.000 0.868 276 T HN 0.364 nan 8.240 nan 0.000 0.435 277 N N 0.987 119.792 118.700 0.174 0.000 2.069 277 N HA -0.055 4.685 4.740 0.001 0.000 0.191 277 N C 1.606 177.158 175.510 0.069 0.000 1.031 277 N CA 1.321 54.431 53.050 0.100 0.000 0.852 277 N CB -0.543 37.979 38.487 0.058 0.000 1.018 277 N HN 0.358 nan 8.380 nan 0.000 0.423 278 F N 0.535 120.532 119.950 0.078 0.000 2.293 278 F HA 0.011 4.538 4.527 0.001 0.000 0.297 278 F C 2.158 178.105 175.800 0.244 0.000 1.089 278 F CA 0.148 58.199 58.000 0.086 0.000 1.377 278 F CB -0.337 38.565 39.000 -0.164 0.000 1.051 278 F HN -0.024 nan 8.300 nan 0.000 0.511 279 L N 0.517 121.980 121.223 0.401 0.000 2.093 279 L HA -0.137 4.203 4.340 0.001 0.000 0.208 279 L C 2.070 178.966 176.870 0.042 0.000 1.085 279 L CA 1.827 56.738 54.840 0.117 0.000 0.755 279 L CB -0.648 41.370 42.059 -0.068 0.000 0.904 279 L HN -0.032 nan 8.230 nan 0.000 0.435 280 K N -0.918 119.528 120.400 0.078 0.000 2.155 280 K HA -0.008 4.312 4.320 0.001 0.000 0.203 280 K C 1.967 178.594 176.600 0.044 0.000 1.052 280 K CA 1.026 57.338 56.287 0.042 0.000 0.948 280 K CB -0.195 32.332 32.500 0.045 0.000 0.728 280 K HN 0.417 nan 8.250 nan 0.000 0.448 281 A N 0.789 123.663 122.820 0.090 0.000 2.016 281 A HA 0.137 4.458 4.320 0.001 0.000 0.217 281 A C 1.434 179.085 177.584 0.113 0.000 1.162 281 A CA 1.540 53.638 52.037 0.101 0.000 0.662 281 A CB -0.380 18.731 19.000 0.185 0.000 0.812 281 A HN 0.436 nan 8.150 nan 0.000 0.450 282 G N -0.798 108.063 108.800 0.102 0.000 3.076 282 G HA2 -0.196 3.765 3.960 0.001 0.000 0.256 282 G HA3 -0.196 3.765 3.960 0.001 0.000 0.256 282 G C 0.717 175.713 174.900 0.160 0.000 1.589 282 G CA 0.752 45.876 45.100 0.039 0.000 1.044 282 G HN 1.708 nan 8.290 nan 0.000 0.563 283 S N 1.300 117.171 115.700 0.284 0.000 2.655 283 S HA 0.729 5.199 4.470 0.001 0.000 0.265 283 S C 1.706 176.593 174.600 0.478 0.000 1.240 283 S CA 0.662 59.117 58.200 0.424 0.000 0.986 283 S CB 1.508 64.964 63.200 0.426 0.000 0.985 283 S HN 2.168 nan 8.310 nan 0.000 0.562 284 A N 1.157 124.333 122.820 0.594 0.000 1.898 284 A HA 0.183 4.503 4.320 0.001 0.000 0.216 284 A C 2.201 180.154 177.584 0.615 0.000 1.181 284 A CA 1.511 54.004 52.037 0.759 0.000 0.620 284 A CB -1.834 17.723 19.000 0.929 0.000 0.819 284 A HN 1.151 nan 8.150 nan 0.000 0.442 285 G N -0.865 108.309 108.800 0.623 0.000 2.432 285 G HA2 -0.200 3.760 3.960 0.001 0.000 0.219 285 G HA3 -0.200 3.760 3.960 0.001 0.000 0.219 285 G C 1.894 176.939 174.900 0.242 0.000 1.135 285 G CA 1.514 46.915 45.100 0.501 0.000 0.767 285 G HN 0.569 nan 8.290 nan 0.000 0.550 286 S N -0.457 115.389 115.700 0.243 0.000 2.383 286 S HA -0.079 4.391 4.470 0.001 0.000 0.227 286 S C 2.034 176.652 174.600 0.029 0.000 1.026 286 S CA 1.225 59.502 58.200 0.128 0.000 0.981 286 S CB -0.377 62.915 63.200 0.155 0.000 0.818 286 S HN 0.371 nan 8.310 nan 0.000 0.472 287 F N 2.122 122.021 119.950 -0.085 0.000 2.186 287 F HA 0.109 4.637 4.527 0.001 0.000 0.299 287 F C 2.264 177.771 175.800 -0.488 0.000 1.090 287 F CA 1.144 58.984 58.000 -0.267 0.000 1.307 287 F CB -0.689 38.160 39.000 -0.253 0.000 1.019 287 F HN 0.278 nan 8.300 nan 0.000 0.489 288 A N -0.527 121.984 122.820 -0.515 0.000 1.898 288 A HA -0.149 4.171 4.320 0.001 0.000 0.216 288 A C 2.179 179.455 177.584 -0.513 0.000 1.181 288 A CA 2.195 53.688 52.037 -0.907 0.000 0.620 288 A CB -1.393 16.857 19.000 -1.250 0.000 0.819 288 A HN 0.412 nan 8.150 nan 0.000 0.442 289 T N 0.068 114.462 114.554 -0.267 0.000 2.708 289 T HA -0.178 4.172 4.350 0.001 0.000 0.266 289 T C 2.039 176.607 174.700 -0.219 0.000 1.037 289 T CA 1.777 63.779 62.100 -0.163 0.000 1.146 289 T CB -0.282 68.545 68.868 -0.068 0.000 0.865 289 T HN 0.617 nan 8.240 nan 0.000 0.435 290 Q N 0.413 120.039 119.800 -0.289 0.000 2.226 290 Q HA 0.045 4.386 4.340 0.001 0.000 0.204 290 Q C 2.322 178.085 176.000 -0.395 0.000 0.975 290 Q CA 1.203 56.815 55.803 -0.320 0.000 0.866 290 Q CB -0.167 28.354 28.738 -0.361 0.000 0.915 290 Q HN 0.520 nan 8.270 nan 0.000 0.440 291 A N -0.318 122.179 122.820 -0.538 0.000 2.251 291 A HA 0.309 4.629 4.320 0.001 0.000 0.209 291 A C 1.427 178.840 177.584 -0.285 0.000 1.187 291 A CA 0.684 52.430 52.037 -0.485 0.000 0.823 291 A CB -0.172 18.435 19.000 -0.654 0.000 0.846 291 A HN 0.428 nan 8.150 nan 0.000 0.486 292 G N -1.042 107.626 108.800 -0.219 0.000 2.136 292 G HA2 -0.251 3.709 3.960 0.001 0.000 0.242 292 G HA3 -0.251 3.709 3.960 0.001 0.000 0.242 292 G C 0.668 175.572 174.900 0.007 0.000 0.989 292 G CA 0.448 45.500 45.100 -0.079 0.000 0.682 292 G HN 0.444 nan 8.290 nan 0.000 0.522 293 L N 0.047 121.181 121.223 -0.148 0.000 2.465 293 L HA 0.091 4.432 4.340 0.001 0.000 0.224 293 L C 2.061 179.062 176.870 0.218 0.000 1.145 293 L CA 0.843 55.608 54.840 -0.126 0.000 0.834 293 L CB -0.104 41.614 42.059 -0.568 0.000 0.944 293 L HN 0.080 nan 8.230 nan 0.000 0.451 294 D N 0.116 120.620 120.400 0.172 0.000 2.351 294 D HA -0.193 4.447 4.640 0.001 0.000 0.216 294 D C 1.988 178.381 176.300 0.155 0.000 0.968 294 D CA 0.831 54.952 54.000 0.201 0.000 0.899 294 D CB 0.074 40.911 40.800 0.062 0.000 0.907 294 D HN 0.583 nan 8.370 nan 0.000 0.514 295 Q N -0.650 119.260 119.800 0.183 0.000 2.360 295 Q HA -0.040 4.300 4.340 0.001 0.000 0.202 295 Q C -0.202 175.845 176.000 0.078 0.000 0.915 295 Q CA -0.027 55.828 55.803 0.086 0.000 0.943 295 Q CB -0.095 28.654 28.738 0.018 0.000 1.064 295 Q HN 0.257 nan 8.270 nan 0.000 0.511 296 Y N 1.699 122.044 120.300 0.075 0.000 2.425 296 Y HA 0.230 4.780 4.550 0.001 0.000 0.347 296 Y C -1.562 174.383 175.900 0.074 0.000 0.976 296 Y CA -2.556 55.596 58.100 0.087 0.000 1.190 296 Y CB 1.385 39.922 38.460 0.128 0.000 1.136 296 Y HN 0.057 nan 8.280 nan 0.000 0.517 297 P HA -0.281 nan 4.420 nan 0.000 0.216 297 P C 1.522 178.857 177.300 0.059 0.000 1.154 297 P CA 1.508 64.645 63.100 0.061 0.000 0.865 297 P CB 0.041 31.768 31.700 0.045 0.000 0.789 298 F N -1.239 118.690 119.950 -0.036 0.000 2.234 298 F HA -0.105 4.422 4.527 0.000 0.000 0.299 298 F C 2.215 177.917 175.800 -0.162 0.000 1.087 298 F CA 1.061 58.983 58.000 -0.131 0.000 1.340 298 F CB -0.674 38.189 39.000 -0.228 0.000 1.031 298 F HN 0.005 nan 8.300 nan 0.000 0.500 299 W N 1.217 122.359 121.300 -0.263 0.000 2.388 299 W HA -0.188 4.473 4.660 0.000 0.000 0.294 299 W C 1.869 178.255 176.519 -0.222 0.000 1.212 299 W CA 1.390 58.577 57.345 -0.263 0.000 1.271 299 W CB -0.339 29.079 29.460 -0.071 0.000 1.126 299 W HN 0.143 nan 8.180 nan 0.000 0.535 300 Q N 0.280 119.856 119.800 -0.373 0.000 2.124 300 Q HA -0.200 4.140 4.340 0.001 0.000 0.202 300 Q C 2.351 178.056 176.000 -0.492 0.000 0.977 300 Q CA 1.834 57.361 55.803 -0.460 0.000 0.850 300 Q CB -0.268 28.329 28.738 -0.235 0.000 0.901 300 Q HN 0.309 nan 8.270 nan 0.000 0.429 301 R N 0.177 120.385 120.500 -0.486 0.000 2.062 301 R HA -0.058 4.282 4.340 0.001 0.000 0.229 301 R C 2.316 178.236 176.300 -0.634 0.000 1.128 301 R CA 1.388 57.127 56.100 -0.601 0.000 0.960 301 R CB -0.394 29.510 30.300 -0.659 0.000 0.855 301 R HN 0.303 nan 8.270 nan 0.000 0.432 302 M N 0.477 119.711 119.600 -0.611 0.000 2.108 302 M HA -0.229 4.252 4.480 0.001 0.000 0.261 302 M C 2.433 178.583 176.300 -0.250 0.000 1.066 302 M CA 1.755 56.928 55.300 -0.211 0.000 1.107 302 M CB -0.355 32.171 32.600 -0.123 0.000 1.356 302 M HN 0.241 nan 8.290 nan 0.000 0.406 303 H N -0.019 118.474 119.070 -0.961 0.000 2.387 303 H HA -0.105 4.451 4.556 0.001 0.000 0.299 303 H C 1.612 176.694 175.328 -0.409 0.000 1.099 303 H CA 1.883 57.302 56.048 -1.048 0.000 1.315 303 H CB 0.067 28.965 29.762 -1.440 0.000 1.380 303 H HN 0.545 nan 8.280 nan 0.000 0.513 304 A N 0.324 122.877 122.820 -0.445 0.000 2.119 304 A HA -0.048 4.273 4.320 0.001 0.000 0.216 304 A C 0.483 177.707 177.584 -0.599 0.000 1.152 304 A CA 0.422 52.145 52.037 -0.524 0.000 0.708 304 A CB -0.072 18.538 19.000 -0.650 0.000 0.805 304 A HN 0.474 nan 8.150 nan 0.000 0.460 305 H N -0.558 118.453 119.070 -0.099 0.000 2.317 305 H HA 0.195 4.751 4.556 0.001 0.000 0.231 305 H C -2.045 173.546 175.328 0.438 0.000 1.442 305 H CA -1.549 54.553 56.048 0.091 0.000 1.336 305 H CB 0.484 30.188 29.762 -0.098 0.000 1.533 305 H HN 0.363 nan 8.280 nan 0.000 0.522 306 P HA -0.033 nan 4.420 nan 0.000 0.221 306 P C 0.800 178.345 177.300 0.409 0.000 1.150 306 P CA 0.552 63.922 63.100 0.450 0.000 0.800 306 P CB 0.664 32.518 31.700 0.257 0.000 0.787 307 A N -0.544 122.485 122.820 0.349 0.000 2.252 307 A HA 0.274 4.594 4.320 0.001 0.000 0.305 307 A C -0.537 176.896 177.584 -0.252 0.000 1.097 307 A CA -0.516 51.625 52.037 0.174 0.000 0.849 307 A CB -0.231 18.936 19.000 0.280 0.000 1.142 307 A HN 0.025 nan 8.150 nan 0.000 0.499 308 Y N 2.008 121.694 120.300 -1.023 0.000 2.851 308 Y HA 0.200 4.751 4.550 0.001 0.000 0.369 308 Y C 0.282 175.952 175.900 -0.383 0.000 1.226 308 Y CA -1.093 56.294 58.100 -1.188 0.000 1.949 308 Y CB -1.025 36.460 38.460 -1.626 0.000 2.059 308 Y HN 0.785 nan 8.280 nan 0.000 0.420 309 D N -0.145 120.134 120.400 -0.201 0.000 2.453 309 D HA 0.241 4.881 4.640 0.001 0.000 0.282 309 D C 1.591 177.737 176.300 -0.257 0.000 1.222 309 D CA 0.119 54.030 54.000 -0.148 0.000 1.079 309 D CB 0.037 40.840 40.800 0.005 0.000 1.128 309 D HN 0.182 nan 8.370 nan 0.000 0.568 310 A N -0.972 121.736 122.820 -0.186 0.000 1.978 310 A HA -0.143 4.177 4.320 0.001 0.000 0.220 310 A C 1.997 179.424 177.584 -0.261 0.000 1.170 310 A CA 1.479 53.397 52.037 -0.200 0.000 0.636 310 A CB -1.268 17.656 19.000 -0.127 0.000 0.810 310 A HN 0.545 nan 8.150 nan 0.000 0.448 311 F N -1.034 118.588 119.950 -0.546 0.000 2.134 311 F HA -0.164 4.364 4.527 0.001 0.000 0.299 311 F C 1.895 177.320 175.800 -0.624 0.000 1.097 311 F CA 1.744 59.297 58.000 -0.746 0.000 1.264 311 F CB -0.393 37.785 39.000 -1.369 0.000 1.001 311 F HN 0.414 nan 8.300 nan 0.000 0.479 312 W N 0.287 121.374 121.300 -0.354 0.000 2.481 312 W HA -0.009 4.652 4.660 0.001 0.000 0.293 312 W C 2.518 178.769 176.519 -0.447 0.000 1.201 312 W CA 0.601 57.736 57.345 -0.351 0.000 1.328 312 W CB -0.700 28.619 29.460 -0.236 0.000 1.112 312 W HN -0.064 nan 8.180 nan 0.000 0.546 313 Q N -0.061 119.446 119.800 -0.489 0.000 2.135 313 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 313 Q C 2.342 178.237 176.000 -0.175 0.000 0.981 313 Q CA 1.479 57.020 55.803 -0.437 0.000 0.856 313 Q CB -0.760 27.716 28.738 -0.437 0.000 0.902 313 Q HN 0.412 nan 8.270 nan 0.000 0.425 314 G N 0.146 108.829 108.800 -0.195 0.000 2.776 314 G HA2 -0.169 3.791 3.960 0.001 0.000 0.209 314 G HA3 -0.169 3.791 3.960 0.001 0.000 0.209 314 G C 0.847 175.695 174.900 -0.088 0.000 1.145 314 G CA 0.102 45.119 45.100 -0.138 0.000 0.791 314 G HN 0.304 nan 8.290 nan 0.000 0.530 315 Q N -0.470 119.297 119.800 -0.054 0.000 2.139 315 Q HA 0.363 4.704 4.340 0.001 0.000 0.219 315 Q C 0.577 176.686 176.000 0.182 0.000 0.805 315 Q CA -0.369 55.473 55.803 0.066 0.000 1.024 315 Q CB 1.385 30.152 28.738 0.048 0.000 1.163 315 Q HN 0.288 nan 8.270 nan 0.000 0.485 316 A N 1.492 124.407 122.820 0.159 0.000 2.805 316 A HA 0.216 4.536 4.320 0.001 0.000 0.301 316 A C 0.974 178.673 177.584 0.191 0.000 1.557 316 A CA -0.138 52.025 52.037 0.210 0.000 1.254 316 A CB -0.347 18.786 19.000 0.222 0.000 1.114 316 A HN 0.412 nan 8.150 nan 0.000 0.553 317 L N 0.917 122.270 121.223 0.217 0.000 2.265 317 L HA -0.158 4.182 4.340 0.001 0.000 0.215 317 L C 2.045 179.024 176.870 0.181 0.000 1.117 317 L CA 1.208 56.166 54.840 0.198 0.000 0.782 317 L CB -0.501 41.694 42.059 0.228 0.000 0.914 317 L HN 0.771 nan 8.230 nan 0.000 0.441 318 D N 0.024 120.538 120.400 0.190 0.000 2.117 318 D HA -0.192 4.448 4.640 0.001 0.000 0.198 318 D C 1.842 178.214 176.300 0.121 0.000 0.982 318 D CA 1.111 55.196 54.000 0.141 0.000 0.828 318 D CB -0.257 40.645 40.800 0.171 0.000 0.967 318 D HN 0.146 nan 8.370 nan 0.000 0.464 319 K N 0.329 120.814 120.400 0.141 0.000 2.025 319 K HA 0.001 4.321 4.320 0.001 0.000 0.207 319 K C 2.328 178.984 176.600 0.095 0.000 1.049 319 K CA 0.353 56.709 56.287 0.116 0.000 0.933 319 K CB -0.343 32.232 32.500 0.125 0.000 0.714 319 K HN 0.256 nan 8.250 nan 0.000 0.438 320 I N 1.250 121.880 120.570 0.101 0.000 2.226 320 I HA -0.238 3.932 4.170 0.001 0.000 0.245 320 I C 2.434 178.606 176.117 0.093 0.000 1.100 320 I CA 0.862 62.215 61.300 0.088 0.000 1.374 320 I CB -0.960 37.094 38.000 0.090 0.000 1.057 320 I HN 0.055 nan 8.210 nan 0.000 0.413 321 L N 1.553 122.843 121.223 0.113 0.000 2.046 321 L HA -0.090 4.250 4.340 0.001 0.000 0.208 321 L C 2.583 179.514 176.870 0.102 0.000 1.077 321 L CA 2.035 56.951 54.840 0.127 0.000 0.747 321 L CB -0.890 41.278 42.059 0.182 0.000 0.896 321 L HN 0.191 nan 8.230 nan 0.000 0.432 322 A N -1.344 121.523 122.820 0.079 0.000 1.972 322 A HA -0.243 4.077 4.320 0.001 0.000 0.219 322 A C 2.163 179.778 177.584 0.051 0.000 1.169 322 A CA 1.719 53.788 52.037 0.053 0.000 0.635 322 A CB -0.476 18.544 19.000 0.035 0.000 0.810 322 A HN 0.661 nan 8.150 nan 0.000 0.446 323 Q N -1.120 118.714 119.800 0.057 0.000 2.230 323 Q HA -0.051 4.289 4.340 0.001 0.000 0.202 323 Q C 2.073 178.103 176.000 0.051 0.000 0.963 323 Q CA 0.752 56.584 55.803 0.049 0.000 0.866 323 Q CB -0.024 28.744 28.738 0.049 0.000 0.931 323 Q HN 0.430 nan 8.270 nan 0.000 0.452 324 R N 0.956 121.493 120.500 0.062 0.000 2.161 324 R HA 0.059 4.399 4.340 0.001 0.000 0.213 324 R C 0.086 176.424 176.300 0.063 0.000 1.055 324 R CA 0.356 56.494 56.100 0.063 0.000 0.996 324 R CB -0.056 30.289 30.300 0.075 0.000 0.901 324 R HN 0.143 nan 8.270 nan 0.000 0.456 325 K N 1.350 121.791 120.400 0.068 0.000 4.868 325 K HA -0.116 4.204 4.320 0.001 0.000 0.314 325 K C -2.354 174.288 176.600 0.071 0.000 0.932 325 K CA 0.052 56.378 56.287 0.066 0.000 0.998 325 K CB -0.956 31.573 32.500 0.048 0.000 1.704 325 K HN 0.245 nan 8.250 nan 0.000 0.426 326 P HA 0.016 nan 4.420 nan 0.000 0.274 326 P C 0.543 177.883 177.300 0.066 0.000 1.237 326 P CA -0.039 63.110 63.100 0.081 0.000 0.793 326 P CB 0.827 32.588 31.700 0.102 0.000 0.977 327 T N -3.657 110.922 114.554 0.041 0.000 3.084 327 T HA 0.186 4.537 4.350 0.001 0.000 0.270 327 T C 0.472 175.162 174.700 -0.016 0.000 1.008 327 T CA -0.229 61.885 62.100 0.024 0.000 0.900 327 T CB -0.397 68.482 68.868 0.019 0.000 1.084 327 T HN 0.077 nan 8.240 nan 0.000 0.538 328 V N 3.939 123.837 119.914 -0.026 0.000 2.508 328 V HA 0.291 4.411 4.120 0.001 0.000 0.281 328 V C -2.195 173.839 176.094 -0.101 0.000 1.041 328 V CA -1.909 60.333 62.300 -0.097 0.000 1.016 328 V CB 0.678 32.456 31.823 -0.076 0.000 0.984 328 V HN 0.247 nan 8.190 nan 0.000 0.478 329 P HA 0.132 nan 4.420 nan 0.000 0.264 329 P C -0.524 176.825 177.300 0.082 0.000 1.183 329 P CA 0.505 63.530 63.100 -0.126 0.000 0.763 329 P CB 0.315 31.618 31.700 -0.661 0.000 0.807 330 M N 2.855 122.595 119.600 0.234 0.000 2.464 330 M HA 0.449 4.929 4.480 0.001 0.000 0.308 330 M C -0.964 175.360 176.300 0.040 0.000 1.127 330 M CA -0.837 54.513 55.300 0.083 0.000 0.913 330 M CB 2.205 34.776 32.600 -0.049 0.000 1.689 330 M HN 0.071 nan 8.290 nan 0.000 0.445 331 L N 2.864 124.014 121.223 -0.120 0.000 2.377 331 L HA 0.551 4.892 4.340 0.001 0.000 0.270 331 L C -2.067 174.679 176.870 -0.208 0.000 0.991 331 L CA 0.005 54.730 54.840 -0.192 0.000 0.851 331 L CB 0.780 42.693 42.059 -0.243 0.000 1.218 331 L HN 0.631 nan 8.230 nan 0.000 0.420 332 W N 4.440 125.716 121.300 -0.041 0.000 2.351 332 W HA 0.601 5.261 4.660 0.000 0.000 0.311 332 W C 0.406 176.837 176.519 -0.146 0.000 1.168 332 W CA -0.196 57.126 57.345 -0.038 0.000 1.200 332 W CB 1.083 30.567 29.460 0.040 0.000 1.221 332 W HN 0.403 nan 8.180 nan 0.000 0.519 333 E N 3.632 123.895 120.200 0.106 0.000 2.317 333 E HA 0.402 4.752 4.350 0.001 0.000 0.270 333 E C -1.230 175.406 176.600 0.059 0.000 0.885 333 E CA -0.705 55.684 56.400 -0.019 0.000 0.760 333 E CB 2.241 31.850 29.700 -0.152 0.000 1.227 333 E HN 0.686 nan 8.360 nan 0.000 0.434 334 Q N 1.298 121.125 119.800 0.045 0.000 2.578 334 Q HA 0.624 4.965 4.340 0.001 0.000 0.284 334 Q C -0.790 175.267 176.000 0.094 0.000 0.960 334 Q CA -1.118 54.743 55.803 0.097 0.000 0.809 334 Q CB 0.799 29.587 28.738 0.084 0.000 1.462 334 Q HN 0.478 nan 8.270 nan 0.000 0.392 335 G N 0.941 109.838 108.800 0.161 0.000 2.476 335 G HA2 0.372 4.332 3.960 0.001 0.000 0.269 335 G HA3 0.372 4.332 3.960 0.001 0.000 0.269 335 G C 0.346 175.177 174.900 -0.114 0.000 1.195 335 G CA -0.830 44.330 45.100 0.100 0.000 0.843 335 G HN 0.645 nan 8.290 nan 0.000 0.545 336 L N 0.237 121.255 121.223 -0.342 0.000 2.201 336 L HA 0.018 4.359 4.340 0.001 0.000 0.212 336 L C 0.994 177.511 176.870 -0.588 0.000 1.105 336 L CA 0.757 55.251 54.840 -0.576 0.000 0.775 336 L CB 0.017 41.516 42.059 -0.933 0.000 0.913 336 L HN 0.545 nan 8.230 nan 0.000 0.440 337 W N 0.180 121.413 121.300 -0.112 0.000 1.788 337 W HA 0.215 4.875 4.660 0.001 0.000 0.318 337 W C -0.083 176.377 176.519 -0.099 0.000 0.785 337 W CA -1.015 56.255 57.345 -0.125 0.000 2.625 337 W CB 0.031 29.405 29.460 -0.142 0.000 2.210 337 W HN -0.070 nan 8.180 nan 0.000 0.591 338 D N 2.455 122.922 120.400 0.110 0.000 2.344 338 D HA -0.036 4.604 4.640 0.001 0.000 0.253 338 D C 1.447 177.790 176.300 0.073 0.000 1.255 338 D CA 0.463 54.552 54.000 0.148 0.000 0.894 338 D CB 1.125 42.036 40.800 0.186 0.000 1.067 338 D HN 0.144 nan 8.370 nan 0.000 0.492 339 Q N 2.757 122.548 119.800 -0.015 0.000 2.365 339 Q HA 0.004 4.344 4.340 0.001 0.000 0.203 339 Q C 0.108 176.110 176.000 0.004 0.000 0.929 339 Q CA 0.710 56.431 55.803 -0.137 0.000 0.948 339 Q CB 0.294 28.732 28.738 -0.500 0.000 1.043 339 Q HN 0.597 nan 8.270 nan 0.000 0.505 340 E N -0.068 120.111 120.200 -0.034 0.000 2.444 340 E HA 0.132 4.482 4.350 0.001 0.000 0.209 340 E C -0.379 176.134 176.600 -0.145 0.000 0.806 340 E CA 0.088 56.391 56.400 -0.162 0.000 1.240 340 E CB 0.797 30.151 29.700 -0.576 0.000 1.238 340 E HN 0.244 nan 8.360 nan 0.000 0.591 341 D N 0.752 121.137 120.400 -0.025 0.000 2.735 341 D HA 0.108 4.748 4.640 0.001 0.000 0.291 341 D C 0.199 176.609 176.300 0.184 0.000 1.205 341 D CA 0.008 54.066 54.000 0.096 0.000 0.777 341 D CB 1.186 42.082 40.800 0.160 0.000 1.234 341 D HN 0.016 nan 8.370 nan 0.000 0.520 342 M N 0.208 119.919 119.600 0.185 0.000 2.349 342 M HA 0.047 4.527 4.480 0.001 0.000 0.266 342 M C 1.570 177.989 176.300 0.198 0.000 1.076 342 M CA 1.090 56.495 55.300 0.174 0.000 1.126 342 M CB 0.145 32.855 32.600 0.184 0.000 1.392 342 M HN 0.402 nan 8.290 nan 0.000 0.440 343 W N 0.369 121.670 121.300 0.002 0.000 2.443 343 W HA 0.055 4.715 4.660 0.001 0.000 0.296 343 W C 1.678 178.284 176.519 0.146 0.000 1.202 343 W CA 1.523 58.888 57.345 0.033 0.000 1.312 343 W CB -0.879 28.456 29.460 -0.209 0.000 1.120 343 W HN 0.311 nan 8.180 nan 0.000 0.536 344 G N 1.563 110.573 108.800 0.350 0.000 2.863 344 G HA2 -0.416 3.544 3.960 0.001 0.000 0.217 344 G HA3 -0.416 3.544 3.960 0.001 0.000 0.217 344 G C 1.665 176.666 174.900 0.167 0.000 1.315 344 G CA 2.720 47.991 45.100 0.285 0.000 0.796 344 G HN 0.374 nan 8.290 nan 0.000 0.669 345 A N 0.221 123.150 122.820 0.181 0.000 1.865 345 A HA -0.047 4.273 4.320 0.001 0.000 0.217 345 A C 2.517 180.071 177.584 -0.050 0.000 1.191 345 A CA 1.898 54.025 52.037 0.150 0.000 0.623 345 A CB -0.538 18.606 19.000 0.240 0.000 0.826 345 A HN 0.574 nan 8.150 nan 0.000 0.444 346 I N -1.533 119.014 120.570 -0.039 0.000 2.286 346 I HA -0.283 3.888 4.170 0.001 0.000 0.248 346 I C 2.306 178.345 176.117 -0.129 0.000 1.115 346 I CA 1.927 63.181 61.300 -0.075 0.000 1.392 346 I CB -0.142 37.779 38.000 -0.131 0.000 1.065 346 I HN 0.494 nan 8.210 nan 0.000 0.418 347 H N 0.185 119.106 119.070 -0.248 0.000 2.428 347 H HA 0.035 4.592 4.556 0.001 0.000 0.296 347 H C 2.206 177.405 175.328 -0.216 0.000 1.062 347 H CA 1.346 57.214 56.048 -0.299 0.000 1.350 347 H CB -0.120 29.297 29.762 -0.575 0.000 1.403 347 H HN 0.434 nan 8.280 nan 0.000 0.533 348 A N 0.278 122.974 122.820 -0.205 0.000 1.873 348 A HA -0.186 4.134 4.320 0.001 0.000 0.215 348 A C 2.114 179.337 177.584 -0.602 0.000 1.186 348 A CA 1.383 53.147 52.037 -0.455 0.000 0.616 348 A CB -1.145 17.310 19.000 -0.907 0.000 0.823 348 A HN 0.680 nan 8.150 nan 0.000 0.442 349 W N 0.661 121.400 121.300 -0.935 0.000 2.358 349 W HA -0.231 4.429 4.660 -0.000 0.000 0.303 349 W C 2.180 178.530 176.519 -0.282 0.000 1.208 349 W CA 2.200 59.140 57.345 -0.676 0.000 1.274 349 W CB -0.204 28.953 29.460 -0.504 0.000 1.138 349 W HN 0.399 nan 8.180 nan 0.000 0.515 350 Q N 0.749 120.376 119.800 -0.289 0.000 2.119 350 Q HA -0.058 4.282 4.340 0.001 0.000 0.201 350 Q C 2.233 178.027 176.000 -0.344 0.000 0.972 350 Q CA 2.444 57.974 55.803 -0.454 0.000 0.847 350 Q CB -0.802 27.812 28.738 -0.206 0.000 0.903 350 Q HN 0.278 nan 8.270 nan 0.000 0.433 351 A N 0.063 122.752 122.820 -0.218 0.000 1.902 351 A HA -0.112 4.208 4.320 0.001 0.000 0.217 351 A C 2.064 179.563 177.584 -0.142 0.000 1.181 351 A CA 1.325 53.287 52.037 -0.125 0.000 0.623 351 A CB -0.702 18.271 19.000 -0.045 0.000 0.818 351 A HN 0.446 nan 8.150 nan 0.000 0.443 352 L N -0.751 120.361 121.223 -0.185 0.000 2.056 352 L HA -0.164 4.176 4.340 0.001 0.000 0.207 352 L C 2.634 179.396 176.870 -0.179 0.000 1.078 352 L CA 1.782 56.549 54.840 -0.121 0.000 0.749 352 L CB -0.387 41.646 42.059 -0.044 0.000 0.901 352 L HN 0.436 nan 8.230 nan 0.000 0.433 353 K N 0.091 120.273 120.400 -0.363 0.000 2.057 353 K HA -0.201 4.119 4.320 0.001 0.000 0.207 353 K C 1.530 177.992 176.600 -0.230 0.000 1.049 353 K CA 1.701 57.761 56.287 -0.379 0.000 0.931 353 K CB 0.035 32.101 32.500 -0.723 0.000 0.714 353 K HN 0.261 nan 8.250 nan 0.000 0.440 354 D N 0.062 120.337 120.400 -0.210 0.000 2.224 354 D HA -0.077 4.563 4.640 0.001 0.000 0.205 354 D C 1.329 177.585 176.300 -0.073 0.000 0.965 354 D CA 0.905 54.831 54.000 -0.124 0.000 0.852 354 D CB 0.085 40.823 40.800 -0.104 0.000 0.947 354 D HN 0.303 nan 8.370 nan 0.000 0.494 355 A N 0.358 123.139 122.820 -0.065 0.000 2.238 355 A HA -0.047 4.274 4.320 0.001 0.000 0.208 355 A C 0.483 178.054 177.584 -0.021 0.000 1.177 355 A CA 0.130 52.150 52.037 -0.028 0.000 0.804 355 A CB -0.067 18.925 19.000 -0.012 0.000 0.823 355 A HN 0.081 nan 8.150 nan 0.000 0.482 356 D N -0.215 120.163 120.400 -0.037 0.000 2.812 356 D HA -0.143 4.498 4.640 0.001 0.000 0.237 356 D C -0.064 176.237 176.300 0.002 0.000 1.162 356 D CA 0.817 54.805 54.000 -0.020 0.000 0.740 356 D CB -1.163 39.632 40.800 -0.008 0.000 1.000 356 D HN 0.331 nan 8.370 nan 0.000 0.416 357 V N 2.163 122.078 119.914 0.002 0.000 2.872 357 V HA -0.000 4.120 4.120 0.001 0.000 0.307 357 V C 0.791 176.914 176.094 0.048 0.000 1.072 357 V CA 0.411 62.731 62.300 0.034 0.000 1.148 357 V CB 1.160 33.015 31.823 0.054 0.000 0.954 357 V HN 0.151 nan 8.190 nan 0.000 0.490 358 K N 5.943 126.375 120.400 0.054 0.000 2.778 358 K HA 0.661 4.982 4.320 0.001 0.000 0.238 358 K C -0.333 176.307 176.600 0.065 0.000 1.233 358 K CA 0.280 56.601 56.287 0.057 0.000 1.195 358 K CB 0.461 32.988 32.500 0.046 0.000 1.743 358 K HN 0.830 nan 8.250 nan 0.000 0.418 359 A N 1.084 123.956 122.820 0.086 0.000 2.583 359 A HA 0.513 4.834 4.320 0.001 0.000 0.292 359 A C -2.970 174.704 177.584 0.151 0.000 1.045 359 A CA -1.211 50.884 52.037 0.096 0.000 0.672 359 A CB 0.795 19.833 19.000 0.064 0.000 1.283 359 A HN 0.078 nan 8.150 nan 0.000 0.419 360 P HA 0.260 nan 4.420 nan 0.000 0.262 360 P C -0.745 176.729 177.300 0.291 0.000 1.182 360 P CA 0.672 63.941 63.100 0.281 0.000 0.761 360 P CB 0.229 32.186 31.700 0.428 0.000 0.795 361 N N 1.397 120.284 118.700 0.312 0.000 2.653 361 N HA 0.212 4.953 4.740 0.001 0.000 0.261 361 N C -1.599 174.241 175.510 0.549 0.000 1.216 361 N CA -0.295 53.013 53.050 0.429 0.000 0.784 361 N CB 0.702 39.390 38.487 0.334 0.000 1.327 361 N HN 0.057 nan 8.380 nan 0.000 0.539 362 T N 2.320 117.114 114.554 0.400 0.000 2.855 362 T HA 0.481 4.832 4.350 0.001 0.000 0.281 362 T C -0.870 173.827 174.700 -0.005 0.000 1.007 362 T CA -0.425 61.801 62.100 0.210 0.000 1.009 362 T CB 1.213 70.067 68.868 -0.024 0.000 0.983 362 T HN 0.344 nan 8.240 nan 0.000 0.455 363 L N 4.313 125.255 121.223 -0.469 0.000 2.295 363 L HA 0.732 5.072 4.340 0.001 0.000 0.285 363 L C -1.146 175.404 176.870 -0.533 0.000 1.035 363 L CA -0.393 53.989 54.840 -0.763 0.000 0.806 363 L CB 1.186 42.253 42.059 -1.653 0.000 1.214 363 L HN 0.430 nan 8.230 nan 0.000 0.426 364 V N 6.433 126.115 119.914 -0.386 0.000 2.483 364 V HA 0.542 4.662 4.120 0.001 0.000 0.297 364 V C -0.220 175.677 176.094 -0.327 0.000 1.027 364 V CA -0.468 61.616 62.300 -0.361 0.000 0.855 364 V CB 1.609 33.207 31.823 -0.374 0.000 0.995 364 V HN 0.765 nan 8.190 nan 0.000 0.424 365 M N 3.941 123.325 119.600 -0.360 0.000 2.204 365 M HA 0.634 5.115 4.480 0.001 0.000 0.293 365 M C 0.222 176.139 176.300 -0.640 0.000 0.994 365 M CA -0.214 54.828 55.300 -0.431 0.000 0.925 365 M CB 2.202 34.538 32.600 -0.439 0.000 1.577 365 M HN 0.776 nan 8.290 nan 0.000 0.439 366 G N 2.311 110.360 108.800 -1.252 0.000 2.597 366 G HA2 0.751 4.712 3.960 0.001 0.000 0.317 366 G HA3 0.751 4.712 3.960 0.001 0.000 0.317 366 G C -2.837 171.002 174.900 -1.768 0.000 1.230 366 G CA -1.369 42.456 45.100 -2.125 0.000 0.996 366 G HN 0.409 nan 8.290 nan 0.000 0.490 367 P HA 0.183 nan 4.420 nan 0.000 0.225 367 P C -1.077 175.872 177.300 -0.586 0.000 1.813 367 P CA -0.068 62.346 63.100 -1.144 0.000 1.013 367 P CB -0.143 30.340 31.700 -2.028 0.000 1.961 368 W N 2.233 123.481 121.300 -0.087 0.000 2.962 368 W HA 0.398 5.058 4.660 0.001 0.000 0.341 368 W C 0.553 177.137 176.519 0.108 0.000 1.155 368 W CA -0.851 56.506 57.345 0.019 0.000 1.165 368 W CB 0.936 30.377 29.460 -0.032 0.000 1.435 368 W HN 0.063 nan 8.180 nan 0.000 0.546 369 R N -0.225 120.486 120.500 0.351 0.000 2.531 369 R HA 0.326 4.667 4.340 0.001 0.000 0.260 369 R C -0.094 176.352 176.300 0.244 0.000 1.144 369 R CA -0.661 55.575 56.100 0.227 0.000 1.171 369 R CB -0.382 29.991 30.300 0.120 0.000 1.199 369 R HN 0.369 nan 8.270 nan 0.000 0.594 370 H N 0.118 119.256 119.070 0.114 0.000 3.157 370 H HA 0.041 4.597 4.556 0.000 0.000 0.299 370 H C -0.285 175.139 175.328 0.160 0.000 0.961 370 H CA 1.584 57.713 56.048 0.135 0.000 1.428 370 H CB -0.052 29.788 29.762 0.130 0.000 1.459 370 H HN 0.710 nan 8.280 nan 0.000 0.566 371 S N 1.731 117.249 115.700 -0.303 0.000 3.084 371 S HA -0.235 4.235 4.470 0.001 0.000 0.277 371 S C 1.895 176.497 174.600 0.003 0.000 1.295 371 S CA 0.858 58.942 58.200 -0.195 0.000 1.170 371 S CB -1.699 61.406 63.200 -0.159 0.000 1.412 371 S HN 1.005 nan 8.310 nan 0.000 0.669 372 G N 0.714 109.531 108.800 0.029 0.000 2.462 372 G HA2 -0.140 3.821 3.960 0.001 0.000 0.220 372 G HA3 -0.140 3.821 3.960 0.001 0.000 0.220 372 G C 1.261 175.922 174.900 -0.398 0.000 1.121 372 G CA 1.034 46.141 45.100 0.012 0.000 0.758 372 G HN 0.732 nan 8.290 nan 0.000 0.559 373 V N 1.196 120.670 119.914 -0.734 0.000 2.660 373 V HA -0.132 3.988 4.120 0.001 0.000 0.257 373 V C 1.733 177.522 176.094 -0.509 0.000 1.088 373 V CA 1.928 63.587 62.300 -1.067 0.000 1.106 373 V CB -0.340 30.940 31.823 -0.905 0.000 0.686 373 V HN 0.351 nan 8.190 nan 0.000 0.481 374 N N -1.352 117.100 118.700 -0.413 0.000 2.322 374 N HA 0.145 4.885 4.740 0.001 0.000 0.194 374 N C -0.181 174.853 175.510 -0.793 0.000 1.126 374 N CA 0.302 53.030 53.050 -0.535 0.000 0.845 374 N CB 0.275 38.404 38.487 -0.597 0.000 0.976 374 N HN 0.646 nan 8.380 nan 0.000 0.475 375 Y N -0.771 119.466 120.300 -0.105 0.000 3.326 375 Y HA 0.296 4.846 4.550 0.000 0.000 0.269 375 Y C 0.432 176.309 175.900 -0.039 0.000 2.118 375 Y CA -1.182 56.887 58.100 -0.052 0.000 0.942 375 Y CB 0.219 38.657 38.460 -0.036 0.000 1.585 375 Y HN -0.246 nan 8.280 nan 0.000 0.542 376 N N 0.562 119.381 118.700 0.198 0.000 2.426 376 N HA 0.228 4.968 4.740 0.001 0.000 0.275 376 N C -0.215 175.392 175.510 0.163 0.000 1.019 376 N CA 0.123 53.256 53.050 0.138 0.000 0.941 376 N CB 1.492 40.046 38.487 0.110 0.000 1.123 376 N HN 0.864 nan 8.380 nan 0.000 0.486 377 G N 1.718 110.641 108.800 0.205 0.000 3.959 377 G HA2 0.063 4.024 3.960 0.001 0.000 0.298 377 G HA3 0.063 4.024 3.960 0.001 0.000 0.298 377 G C 0.690 175.812 174.900 0.371 0.000 1.211 377 G CA -0.287 45.023 45.100 0.350 0.000 1.001 377 G HN 0.541 nan 8.290 nan 0.000 0.561 378 S N -0.063 115.804 115.700 0.279 0.000 2.446 378 S HA 0.087 4.557 4.470 0.001 0.000 0.225 378 S C 1.412 176.137 174.600 0.209 0.000 1.016 378 S CA 1.018 59.361 58.200 0.237 0.000 0.943 378 S CB 0.218 63.496 63.200 0.129 0.000 0.786 378 S HN 0.718 nan 8.310 nan 0.000 0.508 379 T N -0.914 113.758 114.554 0.196 0.000 2.816 379 T HA 0.712 5.063 4.350 0.001 0.000 0.299 379 T C -1.678 173.100 174.700 0.130 0.000 1.230 379 T CA -0.817 61.266 62.100 -0.029 0.000 1.007 379 T CB 1.854 70.671 68.868 -0.085 0.000 1.289 379 T HN -0.033 nan 8.240 nan 0.000 0.508 380 L N 1.016 122.209 121.223 -0.049 0.000 2.737 380 L HA 0.618 4.958 4.340 0.001 0.000 0.261 380 L C 0.545 177.315 176.870 -0.167 0.000 0.949 380 L CA 1.484 56.325 54.840 0.001 0.000 0.952 380 L CB 0.920 43.075 42.059 0.159 0.000 1.337 380 L HN 1.646 nan 8.230 nan 0.000 0.430 381 G N 5.586 114.312 108.800 -0.123 0.000 2.574 381 G HA2 -0.264 3.696 3.960 0.001 0.000 0.286 381 G HA3 -0.264 3.696 3.960 0.001 0.000 0.286 381 G C -1.708 173.097 174.900 -0.159 0.000 1.212 381 G CA 0.201 45.223 45.100 -0.130 0.000 0.979 381 G HN 0.621 nan 8.290 nan 0.000 0.557 382 P HA 0.232 nan 4.420 nan 0.000 0.249 382 P C 0.791 177.902 177.300 -0.315 0.000 1.229 382 P CA 0.348 63.319 63.100 -0.215 0.000 0.788 382 P CB -0.001 31.574 31.700 -0.209 0.000 1.072 383 L N 0.516 121.498 121.223 -0.402 0.000 2.371 383 L HA 0.262 4.603 4.340 0.001 0.000 0.272 383 L C 0.629 177.055 176.870 -0.739 0.000 1.124 383 L CA -0.152 54.352 54.840 -0.560 0.000 0.816 383 L CB 0.456 42.131 42.059 -0.640 0.000 1.129 383 L HN -0.130 nan 8.230 nan 0.000 0.448 384 E N 2.169 121.941 120.200 -0.713 0.000 2.210 384 E HA 0.515 4.866 4.350 0.001 0.000 0.266 384 E C -1.337 174.905 176.600 -0.598 0.000 0.883 384 E CA -0.525 55.525 56.400 -0.584 0.000 0.761 384 E CB 1.948 31.487 29.700 -0.267 0.000 1.156 384 E HN 0.213 nan 8.360 nan 0.000 0.412 385 F N 0.437 120.379 119.950 -0.013 0.000 2.585 385 F HA 0.282 4.809 4.527 0.000 0.000 0.350 385 F C 0.932 176.760 175.800 0.047 0.000 1.074 385 F CA -1.102 56.898 58.000 0.000 0.000 1.032 385 F CB 0.721 39.622 39.000 -0.165 0.000 1.330 385 F HN 0.206 nan 8.300 nan 0.000 0.495 386 E N 1.766 122.163 120.200 0.328 0.000 1.802 386 E HA 0.390 4.740 4.350 0.001 0.000 0.265 386 E C 0.536 177.267 176.600 0.218 0.000 1.168 386 E CA 0.172 56.711 56.400 0.231 0.000 1.033 386 E CB -0.196 29.638 29.700 0.224 0.000 1.095 386 E HN 0.781 nan 8.360 nan 0.000 0.436 387 G N 2.914 111.823 108.800 0.182 0.000 2.760 387 G HA2 -0.258 3.703 3.960 0.001 0.000 0.246 387 G HA3 -0.258 3.703 3.960 0.001 0.000 0.246 387 G C -0.381 174.646 174.900 0.212 0.000 1.359 387 G CA -0.529 44.678 45.100 0.179 0.000 0.861 387 G HN 0.473 nan 8.290 nan 0.000 0.541 388 D N 0.880 121.408 120.400 0.214 0.000 2.441 388 D HA 0.323 4.963 4.640 0.001 0.000 0.243 388 D C 2.191 178.691 176.300 0.333 0.000 1.257 388 D CA 0.861 55.008 54.000 0.245 0.000 1.027 388 D CB -0.130 40.790 40.800 0.201 0.000 1.084 388 D HN 0.785 nan 8.370 nan 0.000 0.514 389 T N 0.588 115.357 114.554 0.359 0.000 2.849 389 T HA -0.176 4.175 4.350 0.001 0.000 0.270 389 T C 1.804 176.943 174.700 0.732 0.000 1.066 389 T CA 1.045 63.452 62.100 0.511 0.000 1.130 389 T CB -0.074 68.868 68.868 0.123 0.000 0.864 389 T HN 0.254 nan 8.240 nan 0.000 0.481 390 A N 1.372 124.512 122.820 0.533 0.000 1.872 390 A HA -0.047 4.273 4.320 0.001 0.000 0.214 390 A C 2.227 179.947 177.584 0.227 0.000 1.187 390 A CA 1.826 53.977 52.037 0.190 0.000 0.614 390 A CB -1.237 17.661 19.000 -0.170 0.000 0.826 390 A HN 0.707 nan 8.150 nan 0.000 0.442 391 H N -0.198 118.951 119.070 0.132 0.000 2.387 391 H HA -0.094 4.463 4.556 0.001 0.000 0.299 391 H C 2.111 177.491 175.328 0.087 0.000 1.090 391 H CA 2.122 58.212 56.048 0.071 0.000 1.332 391 H CB -0.166 29.627 29.762 0.052 0.000 1.386 391 H HN 0.594 nan 8.280 nan 0.000 0.516 392 Q N -1.017 118.872 119.800 0.147 0.000 2.061 392 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 392 Q C 2.003 177.980 176.000 -0.039 0.000 0.984 392 Q CA 1.892 57.742 55.803 0.078 0.000 0.846 392 Q CB -0.368 28.557 28.738 0.311 0.000 0.902 392 Q HN 0.674 nan 8.270 nan 0.000 0.421 393 Y N 1.094 121.370 120.300 -0.039 0.000 2.181 393 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 393 Y C 2.091 177.929 175.900 -0.105 0.000 1.146 393 Y CA 1.376 59.389 58.100 -0.145 0.000 1.164 393 Y CB 0.094 38.581 38.460 0.045 0.000 0.982 393 Y HN -0.091 nan 8.280 nan 0.000 0.515 394 R N -0.024 120.295 120.500 -0.303 0.000 2.096 394 R HA -0.157 4.183 4.340 0.001 0.000 0.235 394 R C 2.474 178.471 176.300 -0.505 0.000 1.127 394 R CA 1.659 57.518 56.100 -0.401 0.000 0.968 394 R CB -0.295 29.883 30.300 -0.204 0.000 0.861 394 R HN 0.376 nan 8.270 nan 0.000 0.440 395 R N 0.387 120.594 120.500 -0.489 0.000 2.112 395 R HA -0.059 4.281 4.340 0.001 0.000 0.216 395 R C 0.871 176.987 176.300 -0.306 0.000 1.080 395 R CA 1.271 57.105 56.100 -0.442 0.000 0.996 395 R CB 0.292 30.288 30.300 -0.507 0.000 0.902 395 R HN 0.092 nan 8.270 nan 0.000 0.449 396 D N -0.587 119.654 120.400 -0.265 0.000 2.327 396 D HA 0.006 4.646 4.640 0.001 0.000 0.205 396 D C 1.522 177.734 176.300 -0.147 0.000 0.989 396 D CA 0.672 54.568 54.000 -0.174 0.000 0.873 396 D CB 0.793 41.509 40.800 -0.141 0.000 0.955 396 D HN 0.103 nan 8.370 nan 0.000 0.515 397 V N 0.162 119.934 119.914 -0.236 0.000 2.950 397 V HA -0.003 4.118 4.120 0.001 0.000 0.231 397 V C 1.803 177.826 176.094 -0.119 0.000 1.205 397 V CA -0.059 62.140 62.300 -0.168 0.000 1.239 397 V CB -0.100 31.624 31.823 -0.165 0.000 1.050 397 V HN -0.035 nan 8.190 nan 0.000 0.498 398 F N 2.352 121.910 119.950 -0.652 0.000 2.069 398 F HA -0.166 4.361 4.527 0.000 0.000 0.298 398 F C 2.571 178.238 175.800 -0.223 0.000 1.113 398 F CA 2.515 60.207 58.000 -0.513 0.000 1.214 398 F CB -0.564 37.929 39.000 -0.845 0.000 0.978 398 F HN 0.094 nan 8.300 nan 0.000 0.474 399 R N 0.718 121.039 120.500 -0.298 0.000 2.070 399 R HA -0.102 4.238 4.340 0.001 0.000 0.232 399 R C -0.792 175.489 176.300 -0.032 0.000 1.138 399 R CA 2.003 57.849 56.100 -0.423 0.000 0.936 399 R CB -1.916 28.012 30.300 -0.621 0.000 0.839 399 R HN 0.161 nan 8.270 nan 0.000 0.429 400 P HA -0.117 nan 4.420 nan 0.000 0.216 400 P C 1.005 178.408 177.300 0.172 0.000 1.150 400 P CA 1.219 64.355 63.100 0.060 0.000 0.837 400 P CB -0.211 31.506 31.700 0.028 0.000 0.786 401 F N -1.354 118.684 119.950 0.147 0.000 2.113 401 F HA -0.152 4.375 4.527 0.001 0.000 0.297 401 F C 1.952 178.012 175.800 0.435 0.000 1.103 401 F CA 1.276 59.435 58.000 0.266 0.000 1.248 401 F CB -0.447 38.753 39.000 0.333 0.000 0.999 401 F HN -0.238 nan 8.300 nan 0.000 0.475 402 F N 1.149 121.275 119.950 0.293 0.000 2.186 402 F HA -0.158 4.369 4.527 0.000 0.000 0.299 402 F C 2.207 178.120 175.800 0.187 0.000 1.090 402 F CA 1.405 59.558 58.000 0.256 0.000 1.307 402 F CB -0.972 38.269 39.000 0.402 0.000 1.019 402 F HN -0.014 nan 8.300 nan 0.000 0.489 403 D N -0.212 120.371 120.400 0.305 0.000 2.144 403 D HA -0.185 4.455 4.640 0.001 0.000 0.199 403 D C 2.208 178.481 176.300 -0.046 0.000 0.984 403 D CA 1.064 55.158 54.000 0.156 0.000 0.834 403 D CB -0.361 40.505 40.800 0.109 0.000 0.955 403 D HN 0.388 nan 8.370 nan 0.000 0.465 404 E N -0.595 119.495 120.200 -0.184 0.000 2.085 404 E HA -0.213 4.137 4.350 0.001 0.000 0.194 404 E C 1.277 177.533 176.600 -0.575 0.000 0.994 404 E CA 1.095 57.219 56.400 -0.460 0.000 0.801 404 E CB -0.042 29.213 29.700 -0.741 0.000 0.743 404 E HN 0.434 nan 8.360 nan 0.000 0.453 405 Y N -0.871 119.302 120.300 -0.211 0.000 2.497 405 Y HA 0.175 4.725 4.550 0.000 0.000 0.265 405 Y C 1.710 177.503 175.900 -0.178 0.000 1.111 405 Y CA 0.012 57.979 58.100 -0.222 0.000 1.288 405 Y CB 0.548 38.809 38.460 -0.332 0.000 1.082 405 Y HN 0.010 nan 8.280 nan 0.000 0.536 406 L N -0.750 120.457 121.223 -0.027 0.000 2.609 406 L HA 0.177 4.517 4.340 0.001 0.000 0.230 406 L C 0.144 176.951 176.870 -0.105 0.000 1.087 406 L CA 0.461 55.268 54.840 -0.056 0.000 0.874 406 L CB 0.404 42.464 42.059 0.002 0.000 1.114 406 L HN -0.159 nan 8.230 nan 0.000 0.488 407 K N 1.141 121.486 120.400 -0.092 0.000 2.540 407 K HA 0.320 4.640 4.320 0.001 0.000 0.218 407 K C -2.477 174.066 176.600 -0.094 0.000 1.017 407 K CA -1.828 54.395 56.287 -0.107 0.000 1.029 407 K CB 1.262 33.706 32.500 -0.094 0.000 1.348 407 K HN -0.227 nan 8.250 nan 0.000 0.508 408 P HA -0.131 nan 4.420 nan 0.000 0.263 408 P C 0.823 178.079 177.300 -0.074 0.000 1.168 408 P CA 1.267 64.318 63.100 -0.081 0.000 0.759 408 P CB 0.586 32.245 31.700 -0.068 0.000 0.782 409 G N 1.482 110.238 108.800 -0.073 0.000 2.195 409 G HA2 -0.226 3.734 3.960 0.001 0.000 0.246 409 G HA3 -0.226 3.734 3.960 0.001 0.000 0.246 409 G C 0.350 175.212 174.900 -0.064 0.000 0.984 409 G CA -0.042 45.022 45.100 -0.060 0.000 0.633 409 G HN 0.584 nan 8.290 nan 0.000 0.525 410 S N 1.067 116.719 115.700 -0.079 0.000 2.565 410 S HA 0.645 5.115 4.470 0.001 0.000 0.276 410 S C 0.938 175.484 174.600 -0.091 0.000 1.326 410 S CA 0.186 58.340 58.200 -0.076 0.000 1.045 410 S CB 1.424 64.576 63.200 -0.079 0.000 0.918 410 S HN 1.618 nan 8.310 nan 0.000 0.505 411 A N 3.145 125.925 122.820 -0.068 0.000 2.555 411 A HA 0.280 4.600 4.320 0.001 0.000 0.233 411 A C 0.607 178.130 177.584 -0.102 0.000 1.060 411 A CA -0.017 51.983 52.037 -0.062 0.000 0.759 411 A CB -0.018 18.961 19.000 -0.035 0.000 0.995 411 A HN 0.675 nan 8.150 nan 0.000 0.506 412 S N -0.416 115.222 115.700 -0.105 0.000 2.562 412 S HA 0.499 4.970 4.470 0.001 0.000 0.275 412 S C 0.078 174.570 174.600 -0.180 0.000 1.281 412 S CA -0.114 57.970 58.200 -0.193 0.000 1.045 412 S CB 1.100 64.181 63.200 -0.200 0.000 0.962 412 S HN 1.412 nan 8.310 nan 0.000 0.503 413 V N 1.371 121.145 119.914 -0.234 0.000 2.628 413 V HA 0.604 4.724 4.120 0.001 0.000 0.306 413 V C -0.918 175.033 176.094 -0.239 0.000 1.045 413 V CA -0.672 61.570 62.300 -0.096 0.000 0.905 413 V CB 1.605 33.474 31.823 0.077 0.000 0.997 413 V HN 0.911 nan 8.190 nan 0.000 0.436 414 H N 5.095 124.245 119.070 0.134 0.000 2.645 414 H HA 0.480 5.037 4.556 0.001 0.000 0.257 414 H C -0.588 174.836 175.328 0.160 0.000 1.269 414 H CA -0.304 55.832 56.048 0.146 0.000 1.409 414 H CB 1.368 31.191 29.762 0.102 0.000 1.434 414 H HN 0.591 nan 8.280 nan 0.000 0.505 415 L N 4.384 125.757 121.223 0.250 0.000 2.417 415 L HA 0.239 4.580 4.340 0.001 0.000 0.268 415 L C -1.393 175.601 176.870 0.208 0.000 1.158 415 L CA -1.586 53.377 54.840 0.204 0.000 0.819 415 L CB 0.525 42.649 42.059 0.109 0.000 1.112 415 L HN 0.343 nan 8.230 nan 0.000 0.458 416 P HA 0.148 nan 4.420 nan 0.000 0.297 416 P C -0.198 177.221 177.300 0.198 0.000 1.303 416 P CA -0.448 62.773 63.100 0.202 0.000 0.753 416 P CB 0.876 32.701 31.700 0.208 0.000 1.281 417 D N -0.955 119.601 120.400 0.261 0.000 2.144 417 D HA 0.054 4.695 4.640 0.001 0.000 0.199 417 D C 0.511 176.954 176.300 0.237 0.000 0.984 417 D CA 1.489 55.720 54.000 0.385 0.000 0.834 417 D CB -0.204 40.905 40.800 0.515 0.000 0.955 417 D HN 0.522 nan 8.370 nan 0.000 0.465 418 A N -0.546 122.305 122.820 0.050 0.000 2.547 418 A HA 0.618 4.938 4.320 0.001 0.000 0.297 418 A C -1.308 176.081 177.584 -0.325 0.000 1.056 418 A CA -0.599 51.268 52.037 -0.282 0.000 0.688 418 A CB 1.186 19.847 19.000 -0.564 0.000 1.282 418 A HN 0.025 nan 8.150 nan 0.000 0.400 419 I N 2.919 123.220 120.570 -0.447 0.000 2.390 419 I HA 0.430 4.600 4.170 0.001 0.000 0.283 419 I C -0.975 174.940 176.117 -0.336 0.000 1.016 419 I CA -0.102 60.880 61.300 -0.530 0.000 1.151 419 I CB 1.108 38.711 38.000 -0.662 0.000 1.293 419 I HN 0.475 nan 8.210 nan 0.000 0.458 420 I N 5.781 126.178 120.570 -0.289 0.000 2.498 420 I HA 0.276 4.446 4.170 0.001 0.000 0.290 420 I C -0.658 175.316 176.117 -0.238 0.000 1.032 420 I CA -0.964 60.173 61.300 -0.271 0.000 1.073 420 I CB 2.008 39.753 38.000 -0.424 0.000 1.251 420 I HN 0.395 nan 8.210 nan 0.000 0.426 421 Y N 6.193 126.104 120.300 -0.648 0.000 2.497 421 Y HA 0.092 4.643 4.550 0.001 0.000 0.334 421 Y C 0.462 176.021 175.900 -0.569 0.000 1.199 421 Y CA 0.314 57.835 58.100 -0.965 0.000 1.425 421 Y CB 0.558 38.145 38.460 -1.455 0.000 1.291 421 Y HN 0.511 nan 8.280 nan 0.000 0.562 422 N N 3.574 121.720 118.700 -0.923 0.000 2.485 422 N HA 0.026 4.767 4.740 0.001 0.000 0.243 422 N C 0.446 175.660 175.510 -0.492 0.000 0.987 422 N CA 0.309 53.035 53.050 -0.540 0.000 0.940 422 N CB 1.151 39.382 38.487 -0.426 0.000 1.122 422 N HN 0.884 nan 8.380 nan 0.000 0.509 423 T N -0.158 114.310 114.554 -0.144 0.000 3.098 423 T HA 0.028 4.379 4.350 0.001 0.000 0.266 423 T C 1.426 176.161 174.700 0.059 0.000 1.145 423 T CA 0.780 62.970 62.100 0.149 0.000 1.092 423 T CB 0.134 69.185 68.868 0.306 0.000 0.908 423 T HN 0.437 nan 8.240 nan 0.000 0.526 424 G N 0.982 109.618 108.800 -0.274 0.000 2.662 424 G HA2 0.071 4.031 3.960 0.001 0.000 0.207 424 G HA3 0.071 4.031 3.960 0.001 0.000 0.207 424 G C 1.156 175.895 174.900 -0.268 0.000 1.154 424 G CA 0.076 44.902 45.100 -0.456 0.000 0.837 424 G HN 0.388 nan 8.290 nan 0.000 0.580 425 D N 0.517 120.759 120.400 -0.262 0.000 2.317 425 D HA 0.059 4.699 4.640 0.001 0.000 0.211 425 D C 0.545 176.721 176.300 -0.206 0.000 0.966 425 D CA 0.372 54.249 54.000 -0.206 0.000 0.876 425 D CB 0.137 40.815 40.800 -0.203 0.000 0.927 425 D HN 0.105 nan 8.370 nan 0.000 0.519 426 Q N -0.386 119.241 119.800 -0.289 0.000 2.464 426 Q HA -0.206 4.135 4.340 0.001 0.000 0.304 426 Q C -0.449 175.316 176.000 -0.393 0.000 1.401 426 Q CA 0.826 56.472 55.803 -0.261 0.000 0.806 426 Q CB -2.027 26.724 28.738 0.020 0.000 1.134 426 Q HN 0.579 nan 8.270 nan 0.000 0.411 427 K N -2.618 117.297 120.400 -0.808 0.000 2.579 427 K HA 0.621 4.941 4.320 0.001 0.000 0.284 427 K C -1.229 174.945 176.600 -0.710 0.000 0.990 427 K CA -1.035 54.937 56.287 -0.525 0.000 0.880 427 K CB 0.767 33.140 32.500 -0.212 0.000 1.488 427 K HN -0.023 nan 8.250 nan 0.000 0.425 428 W N 1.732 122.907 121.300 -0.209 0.000 2.287 428 W HA 0.260 4.920 4.660 -0.000 0.000 0.313 428 W C -0.523 175.890 176.519 -0.175 0.000 1.267 428 W CA 0.233 57.484 57.345 -0.157 0.000 1.201 428 W CB 0.918 30.399 29.460 0.035 0.000 1.196 428 W HN 0.374 nan 8.180 nan 0.000 0.536 429 D N 2.537 122.882 120.400 -0.092 0.000 2.193 429 D HA 0.175 4.815 4.640 0.001 0.000 0.244 429 D C -1.189 174.834 176.300 -0.461 0.000 1.064 429 D CA -0.554 53.235 54.000 -0.353 0.000 0.845 429 D CB 1.047 41.404 40.800 -0.739 0.000 1.148 429 D HN 0.249 nan 8.370 nan 0.000 0.464 430 Y N 1.605 121.653 120.300 -0.420 0.000 2.434 430 Y HA 0.247 4.797 4.550 0.000 0.000 0.341 430 Y C -0.329 175.408 175.900 -0.272 0.000 0.965 430 Y CA -0.747 57.192 58.100 -0.269 0.000 1.205 430 Y CB 0.726 39.116 38.460 -0.118 0.000 1.121 430 Y HN 0.279 nan 8.280 nan 0.000 0.507 431 Y N 3.548 123.884 120.300 0.060 0.000 2.417 431 Y HA 0.274 4.824 4.550 -0.000 0.000 0.336 431 Y C 1.435 177.432 175.900 0.161 0.000 0.961 431 Y CA -0.807 57.364 58.100 0.118 0.000 1.215 431 Y CB 1.083 39.619 38.460 0.126 0.000 1.120 431 Y HN 0.632 nan 8.280 nan 0.000 0.499 432 R N 1.277 121.968 120.500 0.317 0.000 2.094 432 R HA -0.107 4.233 4.340 0.001 0.000 0.239 432 R C -0.160 176.298 176.300 0.264 0.000 1.137 432 R CA 1.440 57.687 56.100 0.246 0.000 0.943 432 R CB 0.069 30.484 30.300 0.191 0.000 0.850 432 R HN 0.473 nan 8.270 nan 0.000 0.433 433 S N -1.299 114.566 115.700 0.276 0.000 2.502 433 S HA 0.404 4.874 4.470 0.001 0.000 0.304 433 S C -1.765 173.032 174.600 0.328 0.000 1.097 433 S CA -0.612 57.739 58.200 0.253 0.000 1.045 433 S CB 1.882 65.170 63.200 0.147 0.000 1.019 433 S HN 0.378 nan 8.310 nan 0.000 0.481 434 W N 4.361 125.741 121.300 0.134 0.000 3.372 434 W HA 0.525 5.185 4.660 -0.000 0.000 0.315 434 W C -3.014 173.601 176.519 0.161 0.000 1.223 434 W CA -1.585 55.798 57.345 0.063 0.000 1.202 434 W CB 1.120 30.610 29.460 0.051 0.000 1.367 434 W HN 0.400 nan 8.180 nan 0.000 0.531 435 P HA 0.197 nan 4.420 nan 0.000 0.276 435 P C 0.333 177.316 177.300 -0.530 0.000 1.244 435 P CA -0.107 62.218 63.100 -1.292 0.000 0.801 435 P CB 1.504 32.389 31.700 -1.359 0.000 1.006 436 S N -0.380 115.053 115.700 -0.445 0.000 2.528 436 S HA 0.170 4.640 4.470 0.001 0.000 0.219 436 S C 0.571 175.056 174.600 -0.193 0.000 0.985 436 S CA 0.117 58.186 58.200 -0.218 0.000 0.914 436 S CB -0.738 62.376 63.200 -0.143 0.000 0.776 436 S HN 0.397 nan 8.310 nan 0.000 0.526 437 V N -0.602 119.160 119.914 -0.253 0.000 2.841 437 V HA 0.901 5.021 4.120 0.001 0.000 0.310 437 V C -0.350 175.618 176.094 -0.210 0.000 1.090 437 V CA -0.847 61.342 62.300 -0.184 0.000 0.930 437 V CB 0.506 32.244 31.823 -0.142 0.000 1.014 437 V HN 0.858 nan 8.190 nan 0.000 0.425 438 C N 1.451 120.663 119.300 -0.148 0.000 3.253 438 C HA 0.561 5.022 4.460 0.001 0.000 0.362 438 C C 0.991 175.937 174.990 -0.073 0.000 1.487 438 C CA -0.060 58.879 59.018 -0.132 0.000 1.179 438 C CB 1.223 28.868 27.740 -0.159 0.000 1.660 438 C HN 0.967 nan 8.230 nan 0.000 0.438 439 E N 1.101 121.274 120.200 -0.045 0.000 2.204 439 E HA 0.050 4.400 4.350 0.001 0.000 0.194 439 E C 0.655 177.250 176.600 -0.009 0.000 0.989 439 E CA 1.710 58.107 56.400 -0.005 0.000 0.824 439 E CB 0.100 29.826 29.700 0.043 0.000 0.756 439 E HN 0.860 nan 8.360 nan 0.000 0.477 440 S N -1.148 114.538 115.700 -0.025 0.000 2.552 440 S HA 0.236 4.706 4.470 0.001 0.000 0.272 440 S C -0.406 174.172 174.600 -0.036 0.000 1.150 440 S CA -0.873 57.314 58.200 -0.022 0.000 0.849 440 S CB 1.155 64.351 63.200 -0.008 0.000 1.113 440 S HN 0.254 nan 8.310 nan 0.000 0.458 441 N N -0.427 118.254 118.700 -0.032 0.000 2.740 441 N HA -0.163 4.578 4.740 0.001 0.000 0.248 441 N C -0.695 174.784 175.510 -0.051 0.000 1.062 441 N CA 0.847 53.875 53.050 -0.037 0.000 0.704 441 N CB -1.575 36.891 38.487 -0.035 0.000 0.968 441 N HN 0.689 nan 8.380 nan 0.000 0.547 442 C N -1.667 117.600 119.300 -0.055 0.000 2.913 442 C HA 0.320 4.781 4.460 0.001 0.000 0.322 442 C C 2.203 177.160 174.990 -0.054 0.000 1.292 442 C CA -0.520 58.457 59.018 -0.069 0.000 1.649 442 C CB 1.688 29.366 27.740 -0.102 0.000 2.139 442 C HN 0.421 nan 8.230 nan 0.000 0.475 443 T N 0.756 115.277 114.554 -0.055 0.000 2.759 443 T HA 0.078 4.428 4.350 0.001 0.000 0.269 443 T C 0.727 175.403 174.700 -0.040 0.000 1.042 443 T CA 1.807 63.883 62.100 -0.039 0.000 1.140 443 T CB -0.176 68.671 68.868 -0.034 0.000 0.864 443 T HN 0.944 nan 8.240 nan 0.000 0.455 444 G N -1.018 107.749 108.800 -0.055 0.000 2.725 444 G HA2 0.618 4.579 3.960 0.001 0.000 0.288 444 G HA3 0.618 4.579 3.960 0.001 0.000 0.288 444 G C -0.586 174.280 174.900 -0.056 0.000 1.399 444 G CA -0.323 44.747 45.100 -0.050 0.000 0.859 444 G HN 0.348 nan 8.290 nan 0.000 0.479 445 G N -1.314 107.460 108.800 -0.043 0.000 2.601 445 G HA2 0.559 4.519 3.960 0.001 0.000 0.317 445 G HA3 0.559 4.519 3.960 0.001 0.000 0.317 445 G C -0.800 174.076 174.900 -0.041 0.000 1.246 445 G CA -0.639 44.439 45.100 -0.038 0.000 1.012 445 G HN 0.460 nan 8.290 nan 0.000 0.494 446 L N -0.134 121.069 121.223 -0.033 0.000 2.453 446 L HA 0.417 4.758 4.340 0.001 0.000 0.261 446 L C 0.856 177.718 176.870 -0.012 0.000 1.179 446 L CA 0.025 54.847 54.840 -0.031 0.000 0.813 446 L CB 1.258 43.296 42.059 -0.035 0.000 1.110 446 L HN 0.366 nan 8.230 nan 0.000 0.466 447 T N 3.195 117.749 114.554 0.000 0.000 2.809 447 T HA 0.415 4.766 4.350 0.001 0.000 0.296 447 T C -2.505 172.219 174.700 0.039 0.000 1.015 447 T CA -1.209 60.913 62.100 0.037 0.000 0.954 447 T CB 1.355 70.244 68.868 0.035 0.000 0.950 447 T HN 0.290 nan 8.240 nan 0.000 0.450 448 P HA 0.265 nan 4.420 nan 0.000 0.276 448 P C -0.785 176.284 177.300 -0.384 0.000 1.235 448 P CA -0.746 62.153 63.100 -0.334 0.000 0.772 448 P CB 0.517 31.815 31.700 -0.669 0.000 0.871 449 L N 5.745 126.701 121.223 -0.444 0.000 2.297 449 L HA 0.384 4.724 4.340 0.001 0.000 0.277 449 L C -1.161 175.424 176.870 -0.474 0.000 1.040 449 L CA -0.825 53.680 54.840 -0.560 0.000 0.867 449 L CB -0.611 41.108 42.059 -0.567 0.000 1.244 449 L HN 0.199 nan 8.230 nan 0.000 0.433 450 Y N 4.125 124.269 120.300 -0.260 0.000 2.346 450 Y HA 0.334 4.884 4.550 0.000 0.000 0.330 450 Y C 0.288 176.023 175.900 -0.274 0.000 1.178 450 Y CA -0.390 57.566 58.100 -0.240 0.000 1.331 450 Y CB 0.580 38.901 38.460 -0.232 0.000 1.253 450 Y HN 0.370 nan 8.280 nan 0.000 0.529 451 L N 2.615 123.748 121.223 -0.150 0.000 2.439 451 L HA 0.487 4.828 4.340 0.001 0.000 0.269 451 L C 0.374 177.090 176.870 -0.256 0.000 1.179 451 L CA 0.269 54.894 54.840 -0.360 0.000 0.828 451 L CB 0.194 41.851 42.059 -0.670 0.000 1.106 451 L HN 0.858 nan 8.230 nan 0.000 0.467 452 A N 1.525 124.152 122.820 -0.321 0.000 2.567 452 A HA 0.574 4.894 4.320 0.001 0.000 0.289 452 A C -1.041 176.211 177.584 -0.553 0.000 1.177 452 A CA -0.727 51.090 52.037 -0.367 0.000 0.694 452 A CB 0.339 19.255 19.000 -0.140 0.000 1.292 452 A HN 0.602 nan 8.150 nan 0.000 0.425 453 D N -0.552 119.641 120.400 -0.346 0.000 2.378 453 D HA 0.400 5.040 4.640 0.001 0.000 0.238 453 D C 1.296 177.529 176.300 -0.113 0.000 1.180 453 D CA 2.060 55.948 54.000 -0.187 0.000 0.895 453 D CB 0.319 41.113 40.800 -0.010 0.000 1.192 453 D HN 1.518 nan 8.370 nan 0.000 0.438 454 G N 1.331 110.091 108.800 -0.065 0.000 2.179 454 G HA2 -0.373 3.587 3.960 0.001 0.000 0.257 454 G HA3 -0.373 3.587 3.960 0.001 0.000 0.257 454 G C 0.181 175.128 174.900 0.079 0.000 1.010 454 G CA 0.652 45.769 45.100 0.029 0.000 0.736 454 G HN 0.864 nan 8.290 nan 0.000 0.513 455 H N -2.242 116.760 119.070 -0.113 0.000 2.713 455 H HA -0.084 4.472 4.556 0.000 0.000 0.311 455 H C 1.479 176.793 175.328 -0.023 0.000 1.175 455 H CA 1.946 57.867 56.048 -0.211 0.000 1.143 455 H CB -1.337 28.216 29.762 -0.347 0.000 1.434 455 H HN 1.315 nan 8.280 nan 0.000 0.418 456 G N -0.557 108.303 108.800 0.100 0.000 2.521 456 G HA2 0.685 4.645 3.960 0.001 0.000 0.323 456 G HA3 0.685 4.645 3.960 0.001 0.000 0.323 456 G C -0.641 174.292 174.900 0.054 0.000 1.211 456 G CA -0.900 44.238 45.100 0.062 0.000 0.979 456 G HN 0.170 nan 8.290 nan 0.000 0.490 457 L N 0.208 121.417 121.223 -0.023 0.000 2.436 457 L HA 0.635 4.975 4.340 0.001 0.000 0.268 457 L C -0.361 176.418 176.870 -0.151 0.000 0.974 457 L CA -0.700 54.071 54.840 -0.115 0.000 0.826 457 L CB 2.382 44.344 42.059 -0.161 0.000 1.291 457 L HN 0.603 nan 8.230 nan 0.000 0.406 458 S N 0.919 116.519 115.700 -0.167 0.000 2.536 458 S HA 0.505 4.975 4.470 0.001 0.000 0.271 458 S C 0.080 174.624 174.600 -0.094 0.000 1.134 458 S CA -0.494 57.639 58.200 -0.113 0.000 0.897 458 S CB 1.045 64.244 63.200 -0.001 0.000 1.094 458 S HN 0.459 nan 8.310 nan 0.000 0.473 459 F N 1.894 121.895 119.950 0.085 0.000 2.699 459 F HA 0.118 4.646 4.527 0.002 0.000 0.298 459 F C 1.503 177.438 175.800 0.225 0.000 1.154 459 F CA 0.398 58.470 58.000 0.119 0.000 1.457 459 F CB 0.207 39.238 39.000 0.051 0.000 1.106 459 F HN 0.385 nan 8.300 nan 0.000 0.585 460 T N -0.903 113.829 114.554 0.296 0.000 2.771 460 T HA 0.060 4.410 4.350 0.001 0.000 0.291 460 T C -0.520 174.207 174.700 0.045 0.000 0.954 460 T CA -0.408 61.803 62.100 0.186 0.000 1.045 460 T CB 0.337 69.267 68.868 0.102 0.000 0.917 460 T HN 0.125 nan 8.240 nan 0.000 0.484 461 H N 4.737 123.656 119.070 -0.253 0.000 3.026 461 H HA 0.221 4.777 4.556 0.000 0.000 0.289 461 H C -2.170 172.904 175.328 -0.423 0.000 1.022 461 H CA -1.527 54.023 56.048 -0.830 0.000 1.477 461 H CB 0.379 29.742 29.762 -0.665 0.000 1.510 461 H HN 0.274 nan 8.280 nan 0.000 0.535 462 P HA 0.069 nan 4.420 nan 0.000 0.276 462 P C -0.044 177.298 177.300 0.070 0.000 1.264 462 P CA -0.075 62.989 63.100 -0.060 0.000 0.769 462 P CB 1.293 32.951 31.700 -0.071 0.000 0.840 463 A N 3.962 126.801 122.820 0.032 0.000 1.902 463 A HA 0.095 4.416 4.320 0.001 0.000 0.217 463 A C 1.233 178.817 177.584 0.000 0.000 1.181 463 A CA 1.387 53.425 52.037 0.002 0.000 0.623 463 A CB -0.988 17.992 19.000 -0.033 0.000 0.818 463 A HN 0.598 nan 8.150 nan 0.000 0.443 464 A N 0.514 123.333 122.820 -0.002 0.000 2.371 464 A HA 0.448 4.768 4.320 0.001 0.000 0.257 464 A C -0.375 177.191 177.584 -0.030 0.000 1.089 464 A CA -0.515 51.515 52.037 -0.013 0.000 0.794 464 A CB 0.152 19.145 19.000 -0.011 0.000 1.029 464 A HN 0.459 nan 8.150 nan 0.000 0.488 465 D N 0.235 120.610 120.400 -0.043 0.000 2.339 465 D HA 0.524 5.164 4.640 0.001 0.000 0.245 465 D C 0.367 176.485 176.300 -0.303 0.000 1.115 465 D CA 1.015 54.958 54.000 -0.094 0.000 0.917 465 D CB 1.677 42.519 40.800 0.070 0.000 1.192 465 D HN 0.792 nan 8.370 nan 0.000 0.428 466 G N -1.071 107.266 108.800 -0.771 0.000 2.506 466 G HA2 0.612 4.573 3.960 0.001 0.000 0.292 466 G HA3 0.612 4.573 3.960 0.001 0.000 0.292 466 G C -2.028 172.138 174.900 -1.222 0.000 1.425 466 G CA -0.326 44.259 45.100 -0.858 0.000 0.788 466 G HN 0.622 nan 8.290 nan 0.000 0.490 467 A N 0.120 122.557 122.820 -0.637 0.000 2.594 467 A HA 0.722 5.042 4.320 0.001 0.000 0.296 467 A C -2.125 175.470 177.584 0.019 0.000 1.061 467 A CA -0.668 51.201 52.037 -0.280 0.000 0.689 467 A CB 1.881 20.795 19.000 -0.144 0.000 1.280 467 A HN 0.513 nan 8.150 nan 0.000 0.406 468 D N 1.131 121.622 120.400 0.152 0.000 2.498 468 D HA 0.677 5.318 4.640 0.001 0.000 0.247 468 D C -0.446 175.987 176.300 0.221 0.000 1.070 468 D CA -0.002 54.105 54.000 0.178 0.000 0.842 468 D CB 2.139 43.037 40.800 0.164 0.000 1.361 468 D HN 0.392 nan 8.370 nan 0.000 0.484 469 S N 0.794 116.613 115.700 0.198 0.000 2.621 469 S HA 0.762 5.232 4.470 0.001 0.000 0.302 469 S C -0.830 173.935 174.600 0.274 0.000 1.093 469 S CA -0.830 57.477 58.200 0.178 0.000 1.017 469 S CB 1.317 64.576 63.200 0.099 0.000 1.077 469 S HN 0.503 nan 8.310 nan 0.000 0.517 470 Y N -2.086 118.296 120.300 0.136 0.000 2.581 470 Y HA 0.746 5.296 4.550 0.001 0.000 0.337 470 Y C -1.529 174.433 175.900 0.103 0.000 1.108 470 Y CA -1.405 56.763 58.100 0.113 0.000 1.033 470 Y CB 0.377 38.909 38.460 0.120 0.000 1.318 470 Y HN 0.322 nan 8.280 nan 0.000 0.459 471 V N 2.755 122.774 119.914 0.175 0.000 2.407 471 V HA 0.458 4.578 4.120 0.001 0.000 0.278 471 V C -0.130 176.060 176.094 0.159 0.000 1.037 471 V CA -0.358 61.995 62.300 0.088 0.000 0.900 471 V CB 1.327 33.202 31.823 0.087 0.000 0.983 471 V HN 0.822 nan 8.190 nan 0.000 0.459 472 S N 3.510 119.261 115.700 0.084 0.000 2.448 472 S HA 0.350 4.820 4.470 0.001 0.000 0.320 472 S C -0.779 173.872 174.600 0.085 0.000 1.071 472 S CA -0.648 57.623 58.200 0.119 0.000 1.113 472 S CB 0.612 63.849 63.200 0.062 0.000 0.972 472 S HN 0.818 nan 8.310 nan 0.000 0.465 473 D N 5.276 125.743 120.400 0.112 0.000 2.414 473 D HA 0.462 5.102 4.640 0.001 0.000 0.232 473 D C -1.861 174.487 176.300 0.079 0.000 1.070 473 D CA -2.278 51.789 54.000 0.111 0.000 0.839 473 D CB 1.979 42.883 40.800 0.172 0.000 1.079 473 D HN 0.224 nan 8.370 nan 0.000 0.521 474 P HA -0.007 nan 4.420 nan 0.000 0.225 474 P C 0.735 177.932 177.300 -0.172 0.000 1.148 474 P CA 0.635 63.719 63.100 -0.026 0.000 0.779 474 P CB 0.307 32.072 31.700 0.109 0.000 0.780 475 A N -1.468 121.261 122.820 -0.151 0.000 2.119 475 A HA -0.068 4.252 4.320 0.001 0.000 0.216 475 A C 0.421 177.685 177.584 -0.532 0.000 1.152 475 A CA 0.950 52.784 52.037 -0.339 0.000 0.708 475 A CB -0.981 17.832 19.000 -0.312 0.000 0.805 475 A HN 0.272 nan 8.150 nan 0.000 0.460 476 H N -0.368 118.692 119.070 -0.017 0.000 2.439 476 H HA 0.265 4.822 4.556 0.001 0.000 0.228 476 H C -2.797 172.579 175.328 0.081 0.000 1.423 476 H CA -1.612 54.475 56.048 0.066 0.000 1.386 476 H CB 0.608 30.414 29.762 0.074 0.000 1.641 476 H HN 0.278 nan 8.280 nan 0.000 0.508 477 P HA 0.010 nan 4.420 nan 0.000 0.274 477 P C 0.191 177.675 177.300 0.308 0.000 1.231 477 P CA -0.324 62.825 63.100 0.082 0.000 0.790 477 P CB 1.647 33.198 31.700 -0.249 0.000 0.951 478 V N 4.273 124.363 119.914 0.294 0.000 2.521 478 V HA 0.094 4.214 4.120 0.001 0.000 0.286 478 V C -1.885 174.481 176.094 0.453 0.000 1.034 478 V CA -1.204 61.288 62.300 0.318 0.000 1.045 478 V CB -0.017 31.955 31.823 0.249 0.000 0.974 478 V HN 0.565 nan 8.190 nan 0.000 0.480 479 P HA 0.091 nan 4.420 nan 0.000 0.271 479 P C 0.460 177.934 177.300 0.290 0.000 1.216 479 P CA -0.257 63.061 63.100 0.363 0.000 0.771 479 P CB 0.352 32.108 31.700 0.092 0.000 0.864 480 F N 4.635 124.601 119.950 0.026 0.000 2.325 480 F HA 0.091 4.618 4.527 0.000 0.000 0.299 480 F C 0.605 176.288 175.800 -0.194 0.000 1.090 480 F CA 0.374 58.254 58.000 -0.200 0.000 1.392 480 F CB -0.635 37.826 39.000 -0.897 0.000 1.053 480 F HN 0.148 nan 8.300 nan 0.000 0.521 481 I N -2.891 117.119 120.570 -0.933 0.000 2.994 481 I HA 0.510 4.681 4.170 0.001 0.000 0.306 481 I C -0.278 175.582 176.117 -0.428 0.000 1.195 481 I CA -1.403 59.483 61.300 -0.691 0.000 1.001 481 I CB 1.758 39.195 38.000 -0.938 0.000 1.244 481 I HN -0.265 nan 8.210 nan 0.000 0.437 482 S N 2.232 117.778 115.700 -0.256 0.000 2.558 482 S HA 0.154 4.625 4.470 0.001 0.000 0.291 482 S C 0.187 174.701 174.600 -0.144 0.000 1.306 482 S CA -0.333 57.771 58.200 -0.161 0.000 1.056 482 S CB 0.029 63.162 63.200 -0.112 0.000 0.836 482 S HN 0.469 nan 8.310 nan 0.000 0.504 483 R N 2.593 123.018 120.500 -0.126 0.000 2.539 483 R HA 0.354 4.695 4.340 0.001 0.000 0.275 483 R C -2.028 174.240 176.300 -0.054 0.000 1.077 483 R CA -1.273 54.771 56.100 -0.093 0.000 1.097 483 R CB -0.121 30.075 30.300 -0.173 0.000 1.018 483 R HN 0.458 nan 8.270 nan 0.000 0.483 484 P HA 0.271 nan 4.420 nan 0.000 0.284 484 P C -1.366 175.976 177.300 0.071 0.000 1.258 484 P CA -0.344 62.763 63.100 0.012 0.000 0.824 484 P CB 0.813 32.514 31.700 0.002 0.000 1.038 485 F N 0.733 120.619 119.950 -0.106 0.000 2.581 485 F HA 0.650 5.178 4.527 0.001 0.000 0.311 485 F C -1.752 173.942 175.800 -0.176 0.000 1.113 485 F CA -0.646 57.260 58.000 -0.158 0.000 0.935 485 F CB 1.878 40.726 39.000 -0.253 0.000 1.232 485 F HN 0.549 nan 8.300 nan 0.000 0.445 486 A N 5.091 127.218 122.820 -1.155 0.000 2.386 486 A HA 0.544 4.864 4.320 0.001 0.000 0.311 486 A C -0.281 176.451 177.584 -1.420 0.000 1.068 486 A CA -0.640 50.810 52.037 -0.979 0.000 0.743 486 A CB 0.481 19.237 19.000 -0.407 0.000 1.258 486 A HN 0.872 nan 8.150 nan 0.000 0.429 487 F N 1.556 121.009 119.950 -0.829 0.000 2.236 487 F HA -0.208 4.319 4.527 0.000 0.000 0.302 487 F C 2.561 178.131 175.800 -0.383 0.000 1.073 487 F CA 1.888 59.539 58.000 -0.581 0.000 1.336 487 F CB -0.000 38.748 39.000 -0.420 0.000 1.040 487 F HN 0.659 nan 8.300 nan 0.000 0.507 488 A N -0.589 122.140 122.820 -0.153 0.000 2.015 488 A HA -0.148 4.172 4.320 0.001 0.000 0.219 488 A C 1.321 178.869 177.584 -0.059 0.000 1.163 488 A CA 0.541 52.530 52.037 -0.080 0.000 0.646 488 A CB -0.622 18.340 19.000 -0.063 0.000 0.806 488 A HN 0.373 nan 8.150 nan 0.000 0.448 489 Q N 1.015 120.743 119.800 -0.121 0.000 2.613 489 Q HA 0.168 4.508 4.340 0.001 0.000 0.228 489 Q C 0.782 176.887 176.000 0.176 0.000 1.318 489 Q CA -0.164 55.639 55.803 0.001 0.000 0.907 489 Q CB 0.082 28.802 28.738 -0.029 0.000 1.593 489 Q HN 0.560 nan 8.270 nan 0.000 0.559 490 S N 0.490 116.284 115.700 0.155 0.000 2.383 490 S HA -0.210 4.260 4.470 0.001 0.000 0.229 490 S C 2.046 176.788 174.600 0.236 0.000 1.030 490 S CA 1.570 59.913 58.200 0.238 0.000 1.002 490 S CB -0.075 63.212 63.200 0.145 0.000 0.829 490 S HN 0.770 nan 8.310 nan 0.000 0.467 491 S N 1.852 117.642 115.700 0.149 0.000 2.419 491 S HA -0.050 4.421 4.470 0.001 0.000 0.233 491 S C 1.671 176.351 174.600 0.132 0.000 1.016 491 S CA 0.698 58.963 58.200 0.108 0.000 0.974 491 S CB -0.271 62.967 63.200 0.063 0.000 0.786 491 S HN 0.472 nan 8.310 nan 0.000 0.492 492 R N -1.023 119.602 120.500 0.208 0.000 2.237 492 R HA 0.183 4.523 4.340 0.001 0.000 0.195 492 R C 2.000 178.466 176.300 0.276 0.000 0.956 492 R CA 0.454 56.677 56.100 0.205 0.000 1.029 492 R CB -0.194 30.249 30.300 0.238 0.000 0.972 492 R HN 0.680 nan 8.270 nan 0.000 0.493 493 W N 2.624 124.066 121.300 0.237 0.000 2.441 493 W HA -0.068 4.593 4.660 0.001 0.000 0.302 493 W C 1.047 177.743 176.519 0.294 0.000 1.191 493 W CA 0.968 58.480 57.345 0.278 0.000 1.327 493 W CB 0.064 29.734 29.460 0.350 0.000 1.128 493 W HN -0.103 nan 8.180 nan 0.000 0.522 494 K N 0.213 120.663 120.400 0.084 0.000 2.020 494 K HA -0.187 4.133 4.320 0.001 0.000 0.212 494 K C -1.018 175.504 176.600 -0.130 0.000 1.050 494 K CA 2.025 58.272 56.287 -0.067 0.000 0.929 494 K CB -1.496 31.043 32.500 0.064 0.000 0.714 494 K HN 0.143 nan 8.250 nan 0.000 0.443 495 P HA -0.038 nan 4.420 nan 0.000 0.254 495 P C 0.360 177.568 177.300 -0.152 0.000 1.620 495 P CA -0.107 62.918 63.100 -0.125 0.000 1.050 495 P CB -0.551 31.100 31.700 -0.082 0.000 1.539 496 W N 0.208 121.336 121.300 -0.287 0.000 2.374 496 W HA -0.086 4.574 4.660 0.001 0.000 0.288 496 W C 0.599 176.996 176.519 -0.203 0.000 1.218 496 W CA 0.201 57.376 57.345 -0.283 0.000 1.245 496 W CB -1.424 27.823 29.460 -0.355 0.000 1.126 496 W HN -0.152 nan 8.180 nan 0.000 0.545 497 L N 2.050 122.695 121.223 -0.964 0.000 2.456 497 L HA -0.141 4.200 4.340 0.001 0.000 0.224 497 L C 2.191 178.797 176.870 -0.439 0.000 1.148 497 L CA 1.061 55.370 54.840 -0.884 0.000 0.825 497 L CB -0.501 41.155 42.059 -0.673 0.000 0.937 497 L HN 0.006 nan 8.230 nan 0.000 0.450 498 V N -4.704 114.937 119.914 -0.454 0.000 3.376 498 V HA 0.186 4.306 4.120 0.001 0.000 0.313 498 V C 0.793 176.832 176.094 -0.092 0.000 1.393 498 V CA -0.444 61.596 62.300 -0.433 0.000 1.125 498 V CB -0.236 31.149 31.823 -0.730 0.000 1.037 498 V HN 0.130 nan 8.190 nan 0.000 0.440 499 Q N 1.803 121.576 119.800 -0.046 0.000 2.373 499 Q HA 0.248 4.589 4.340 0.001 0.000 0.255 499 Q C -0.206 175.743 176.000 -0.086 0.000 0.980 499 Q CA 0.083 55.891 55.803 0.008 0.000 0.882 499 Q CB 1.002 29.738 28.738 -0.003 0.000 1.249 499 Q HN 0.546 nan 8.270 nan 0.000 0.438 500 D N 1.563 121.750 120.400 -0.355 0.000 2.488 500 D HA -0.091 4.550 4.640 0.001 0.000 0.238 500 D C 0.167 176.307 176.300 -0.267 0.000 1.138 500 D CA 0.374 53.955 54.000 -0.698 0.000 0.873 500 D CB 0.753 41.013 40.800 -0.901 0.000 1.183 500 D HN 0.200 nan 8.370 nan 0.000 0.458 501 Q N 3.329 123.022 119.800 -0.178 0.000 2.222 501 Q HA 0.106 4.446 4.340 0.001 0.000 0.206 501 Q C 1.404 177.369 176.000 -0.059 0.000 0.877 501 Q CA -0.063 55.715 55.803 -0.043 0.000 0.958 501 Q CB 0.243 29.002 28.738 0.035 0.000 1.075 501 Q HN 0.502 nan 8.270 nan 0.000 0.483 502 R N 0.691 121.121 120.500 -0.117 0.000 2.120 502 R HA -0.140 4.200 4.340 0.001 0.000 0.234 502 R C 1.965 178.227 176.300 -0.063 0.000 1.123 502 R CA 1.158 57.204 56.100 -0.090 0.000 0.975 502 R CB 0.151 30.384 30.300 -0.112 0.000 0.866 502 R HN 0.377 nan 8.270 nan 0.000 0.446 503 E N 0.552 120.717 120.200 -0.059 0.000 2.077 503 E HA -0.199 4.151 4.350 0.001 0.000 0.193 503 E C 1.852 178.441 176.600 -0.017 0.000 0.989 503 E CA 1.250 57.627 56.400 -0.040 0.000 0.800 503 E CB -0.016 29.659 29.700 -0.041 0.000 0.746 503 E HN 0.352 nan 8.360 nan 0.000 0.452 504 A N 1.279 124.101 122.820 0.004 0.000 1.902 504 A HA -0.232 4.088 4.320 0.001 0.000 0.217 504 A C 2.063 179.639 177.584 -0.014 0.000 1.181 504 A CA 1.644 53.693 52.037 0.021 0.000 0.623 504 A CB -0.624 18.413 19.000 0.061 0.000 0.818 504 A HN 0.471 nan 8.150 nan 0.000 0.443 505 E N 0.567 120.750 120.200 -0.028 0.000 2.118 505 E HA -0.195 4.155 4.350 0.001 0.000 0.195 505 E C 1.937 178.500 176.600 -0.061 0.000 0.992 505 E CA 1.551 57.921 56.400 -0.050 0.000 0.804 505 E CB -0.130 29.539 29.700 -0.052 0.000 0.741 505 E HN 0.728 nan 8.360 nan 0.000 0.458 506 S N -0.192 115.478 115.700 -0.050 0.000 2.555 506 S HA 0.006 4.476 4.470 0.001 0.000 0.230 506 S C 0.722 175.297 174.600 -0.041 0.000 0.978 506 S CA -0.138 58.032 58.200 -0.049 0.000 0.934 506 S CB -0.112 63.062 63.200 -0.042 0.000 0.766 506 S HN 0.103 nan 8.310 nan 0.000 0.533 507 R N 1.759 122.239 120.500 -0.033 0.000 2.457 507 R HA 0.358 4.698 4.340 0.001 0.000 0.284 507 R C -1.807 174.481 176.300 -0.020 0.000 1.024 507 R CA -2.077 54.012 56.100 -0.019 0.000 1.025 507 R CB 0.409 30.710 30.300 0.002 0.000 1.063 507 R HN 0.114 nan 8.270 nan 0.000 0.493 508 P HA -0.075 nan 4.420 nan 0.000 0.236 508 P C -0.232 177.114 177.300 0.077 0.000 1.177 508 P CA 0.886 64.003 63.100 0.027 0.000 0.773 508 P CB 0.218 31.938 31.700 0.033 0.000 0.878 509 D N -0.439 120.003 120.400 0.071 0.000 2.395 509 D HA 0.105 4.746 4.640 0.001 0.000 0.226 509 D C -0.041 176.192 176.300 -0.111 0.000 1.146 509 D CA -0.657 53.426 54.000 0.138 0.000 0.830 509 D CB -0.349 40.555 40.800 0.174 0.000 0.958 509 D HN -0.040 nan 8.370 nan 0.000 0.501 510 V N 0.614 120.401 119.914 -0.212 0.000 2.686 510 V HA 0.371 4.491 4.120 0.001 0.000 0.306 510 V C -0.154 175.773 176.094 -0.277 0.000 1.065 510 V CA -1.217 60.888 62.300 -0.324 0.000 0.894 510 V CB 2.180 33.919 31.823 -0.140 0.000 1.004 510 V HN 0.167 nan 8.190 nan 0.000 0.424 511 V N 1.465 121.192 119.914 -0.311 0.000 2.483 511 V HA 0.884 5.004 4.120 0.001 0.000 0.295 511 V C -0.119 175.947 176.094 -0.047 0.000 1.035 511 V CA -0.175 62.066 62.300 -0.100 0.000 0.896 511 V CB 1.588 33.465 31.823 0.089 0.000 0.986 511 V HN 0.831 nan 8.190 nan 0.000 0.447 512 T N 4.403 118.875 114.554 -0.137 0.000 2.861 512 T HA 0.723 5.073 4.350 0.001 0.000 0.287 512 T C -1.360 173.211 174.700 -0.216 0.000 1.003 512 T CA -0.149 61.903 62.100 -0.081 0.000 0.977 512 T CB 1.217 70.033 68.868 -0.086 0.000 0.996 512 T HN 0.663 nan 8.240 nan 0.000 0.448 513 Y N 1.434 121.761 120.300 0.046 0.000 2.499 513 Y HA 0.612 5.163 4.550 0.000 0.000 0.347 513 Y C 0.314 176.204 175.900 -0.015 0.000 0.987 513 Y CA -1.114 57.001 58.100 0.026 0.000 1.044 513 Y CB 1.885 40.327 38.460 -0.029 0.000 1.245 513 Y HN 0.713 nan 8.280 nan 0.000 0.461 514 E N -0.830 119.439 120.200 0.115 0.000 2.392 514 E HA 0.507 4.857 4.350 0.001 0.000 0.279 514 E C -1.257 175.348 176.600 0.009 0.000 0.964 514 E CA -1.212 55.212 56.400 0.040 0.000 0.777 514 E CB 1.844 31.561 29.700 0.027 0.000 1.249 514 E HN 0.530 nan 8.360 nan 0.000 0.449 515 T N -0.369 114.169 114.554 -0.027 0.000 2.754 515 T HA 0.228 4.579 4.350 0.001 0.000 0.286 515 T C 0.428 175.131 174.700 0.005 0.000 0.997 515 T CA -0.784 61.297 62.100 -0.032 0.000 0.982 515 T CB 0.853 69.686 68.868 -0.059 0.000 1.027 515 T HN 0.449 nan 8.240 nan 0.000 0.529 516 E N 0.143 120.353 120.200 0.016 0.000 2.416 516 E HA 0.180 4.531 4.350 0.001 0.000 0.254 516 E C 0.316 176.942 176.600 0.043 0.000 1.241 516 E CA -0.390 56.027 56.400 0.028 0.000 0.969 516 E CB 0.862 30.581 29.700 0.032 0.000 0.999 516 E HN 0.625 nan 8.360 nan 0.000 0.481 517 V N 1.715 121.657 119.914 0.047 0.000 2.673 517 V HA 0.026 4.147 4.120 0.001 0.000 0.303 517 V C 0.085 176.226 176.094 0.078 0.000 1.046 517 V CA -0.175 62.165 62.300 0.066 0.000 1.126 517 V CB -0.096 31.761 31.823 0.056 0.000 0.934 517 V HN 0.389 nan 8.190 nan 0.000 0.487 518 L N 6.101 127.389 121.223 0.108 0.000 2.410 518 L HA 0.303 4.643 4.340 0.001 0.000 0.273 518 L C 0.946 177.873 176.870 0.095 0.000 1.152 518 L CA -0.219 54.687 54.840 0.110 0.000 0.855 518 L CB 0.459 42.604 42.059 0.143 0.000 1.129 518 L HN 0.698 nan 8.230 nan 0.000 0.463 519 D N 0.783 121.229 120.400 0.076 0.000 2.271 519 D HA 0.026 4.666 4.640 0.001 0.000 0.206 519 D C 0.360 176.694 176.300 0.055 0.000 0.967 519 D CA 1.048 55.084 54.000 0.060 0.000 0.867 519 D CB 0.567 41.396 40.800 0.048 0.000 0.960 519 D HN 0.445 nan 8.370 nan 0.000 0.509 520 E N 0.650 120.885 120.200 0.059 0.000 2.293 520 E HA 0.326 4.676 4.350 0.001 0.000 0.270 520 E C -2.461 174.175 176.600 0.060 0.000 0.879 520 E CA -1.972 54.455 56.400 0.046 0.000 0.756 520 E CB 2.551 32.269 29.700 0.029 0.000 1.208 520 E HN -0.050 nan 8.360 nan 0.000 0.428 521 P HA 0.099 nan 4.420 nan 0.000 0.272 521 P C -0.312 177.033 177.300 0.074 0.000 1.223 521 P CA -0.396 62.738 63.100 0.057 0.000 0.784 521 P CB 0.733 32.439 31.700 0.009 0.000 0.923 522 V N 1.409 121.411 119.914 0.147 0.000 2.487 522 V HA 0.560 4.681 4.120 0.001 0.000 0.298 522 V C -0.350 175.864 176.094 0.199 0.000 1.028 522 V CA -0.933 61.462 62.300 0.158 0.000 0.860 522 V CB 1.578 33.519 31.823 0.196 0.000 0.991 522 V HN 0.370 nan 8.190 nan 0.000 0.427 523 R N 3.956 124.518 120.500 0.102 0.000 2.368 523 R HA 0.813 5.153 4.340 0.001 0.000 0.302 523 R C -0.744 175.622 176.300 0.109 0.000 1.002 523 R CA -0.561 55.581 56.100 0.069 0.000 0.929 523 R CB 2.032 32.347 30.300 0.026 0.000 1.073 523 R HN 0.949 nan 8.270 nan 0.000 0.464 524 V N -1.464 118.521 119.914 0.117 0.000 2.709 524 V HA 0.745 4.865 4.120 0.001 0.000 0.308 524 V C -0.610 175.537 176.094 0.088 0.000 1.062 524 V CA -0.644 61.733 62.300 0.128 0.000 0.901 524 V CB 2.081 34.047 31.823 0.239 0.000 1.003 524 V HN 0.703 nan 8.190 nan 0.000 0.425 525 S N 2.306 118.039 115.700 0.055 0.000 2.653 525 S HA 0.859 5.330 4.470 0.001 0.000 0.268 525 S C -0.175 174.402 174.600 -0.038 0.000 1.153 525 S CA 0.676 58.932 58.200 0.094 0.000 1.036 525 S CB 0.581 63.840 63.200 0.098 0.000 1.103 525 S HN 2.566 nan 8.310 nan 0.000 0.466 526 G N 1.500 110.300 108.800 -0.000 0.000 2.302 526 G HA2 0.291 4.252 3.960 0.001 0.000 0.264 526 G HA3 0.291 4.252 3.960 0.001 0.000 0.264 526 G C -1.096 173.730 174.900 -0.123 0.000 1.335 526 G CA -0.003 44.919 45.100 -0.297 0.000 0.982 526 G HN 1.766 nan 8.290 nan 0.000 0.473 527 V N 0.163 119.972 119.914 -0.175 0.000 2.347 527 V HA 0.802 4.922 4.120 0.001 0.000 0.280 527 V C -2.416 173.633 176.094 -0.074 0.000 1.021 527 V CA -1.795 60.451 62.300 -0.090 0.000 0.847 527 V CB 1.375 33.138 31.823 -0.100 0.000 0.990 527 V HN 0.653 nan 8.190 nan 0.000 0.444 528 P HA 0.462 nan 4.420 nan 0.000 0.276 528 P C -0.953 176.289 177.300 -0.097 0.000 1.244 528 P CA -0.294 62.773 63.100 -0.056 0.000 0.801 528 P CB 1.297 32.983 31.700 -0.023 0.000 1.006 529 V N 0.786 120.600 119.914 -0.166 0.000 2.577 529 V HA 0.571 4.692 4.120 0.001 0.000 0.303 529 V C 0.059 175.906 176.094 -0.412 0.000 1.042 529 V CA -1.072 61.046 62.300 -0.302 0.000 0.872 529 V CB 1.525 33.146 31.823 -0.338 0.000 0.998 529 V HN 0.684 nan 8.190 nan 0.000 0.423 530 A N 2.677 125.114 122.820 -0.638 0.000 2.404 530 A HA 0.539 4.860 4.320 0.001 0.000 0.273 530 A C -0.210 176.985 177.584 -0.648 0.000 1.144 530 A CA 0.015 51.626 52.037 -0.711 0.000 0.806 530 A CB 0.024 18.299 19.000 -1.208 0.000 1.080 530 A HN 0.874 nan 8.150 nan 0.000 0.509 531 D N 2.404 122.600 120.400 -0.341 0.000 2.462 531 D HA 0.436 5.077 4.640 0.001 0.000 0.249 531 D C -1.079 175.144 176.300 -0.129 0.000 1.117 531 D CA -0.101 53.824 54.000 -0.124 0.000 0.900 531 D CB 0.515 41.355 40.800 0.066 0.000 1.039 531 D HN 0.346 nan 8.370 nan 0.000 0.516 532 L N 3.767 124.862 121.223 -0.213 0.000 2.307 532 L HA 0.613 4.953 4.340 0.001 0.000 0.284 532 L C -1.564 175.171 176.870 -0.225 0.000 1.023 532 L CA -0.392 54.355 54.840 -0.154 0.000 0.810 532 L CB 0.742 42.701 42.059 -0.167 0.000 1.231 532 L HN 0.167 nan 8.230 nan 0.000 0.423 533 F N 5.195 125.166 119.950 0.036 0.000 2.430 533 F HA 0.761 5.288 4.527 0.000 0.000 0.362 533 F C 0.220 176.008 175.800 -0.021 0.000 1.103 533 F CA -0.263 57.752 58.000 0.026 0.000 1.045 533 F CB 1.492 40.484 39.000 -0.013 0.000 1.276 533 F HN 0.644 nan 8.300 nan 0.000 0.444 534 A N 2.132 124.978 122.820 0.044 0.000 2.486 534 A HA 0.945 5.265 4.320 0.001 0.000 0.300 534 A C -1.398 176.194 177.584 0.014 0.000 1.048 534 A CA -0.642 51.312 52.037 -0.138 0.000 0.696 534 A CB 1.294 19.791 19.000 -0.839 0.000 1.278 534 A HN 0.782 nan 8.150 nan 0.000 0.405 535 A N 0.450 123.328 122.820 0.097 0.000 2.356 535 A HA 0.936 5.256 4.320 0.001 0.000 0.323 535 A C -0.163 177.601 177.584 0.301 0.000 1.119 535 A CA -0.254 51.898 52.037 0.192 0.000 0.790 535 A CB 1.603 20.683 19.000 0.133 0.000 1.273 535 A HN 1.549 nan 8.150 nan 0.000 0.452 536 T N -0.707 114.026 114.554 0.297 0.000 2.912 536 T HA 0.437 4.788 4.350 0.001 0.000 0.299 536 T C 1.086 175.867 174.700 0.136 0.000 1.052 536 T CA 0.243 62.486 62.100 0.239 0.000 0.996 536 T CB 1.239 70.264 68.868 0.262 0.000 1.070 536 T HN 1.295 nan 8.240 nan 0.000 0.465 537 S N 2.367 118.117 115.700 0.082 0.000 2.481 537 S HA 0.218 4.688 4.470 0.001 0.000 0.231 537 S C 1.220 175.854 174.600 0.057 0.000 0.996 537 S CA 0.349 58.586 58.200 0.060 0.000 0.942 537 S CB -0.366 62.858 63.200 0.041 0.000 0.768 537 S HN 0.909 nan 8.310 nan 0.000 0.520 538 G N 0.992 109.827 108.800 0.059 0.000 2.510 538 G HA2 0.428 4.388 3.960 0.001 0.000 0.280 538 G HA3 0.428 4.388 3.960 0.001 0.000 0.280 538 G C 0.530 175.474 174.900 0.074 0.000 1.386 538 G CA 0.137 45.269 45.100 0.053 0.000 1.047 538 G HN 0.403 nan 8.290 nan 0.000 0.527 539 T N -3.073 111.528 114.554 0.078 0.000 3.085 539 T HA 0.335 4.685 4.350 0.001 0.000 0.264 539 T C -0.222 174.563 174.700 0.141 0.000 1.019 539 T CA -0.015 62.143 62.100 0.097 0.000 0.910 539 T CB 0.375 69.303 68.868 0.100 0.000 1.059 539 T HN 0.394 nan 8.240 nan 0.000 0.542 540 D N -0.454 120.017 120.400 0.117 0.000 2.648 540 D HA 0.659 5.299 4.640 0.001 0.000 0.244 540 D C -1.574 174.734 176.300 0.015 0.000 1.244 540 D CA -0.174 53.894 54.000 0.113 0.000 0.772 540 D CB 2.167 43.035 40.800 0.112 0.000 1.379 540 D HN 0.042 nan 8.370 nan 0.000 0.428 541 S N 0.363 116.035 115.700 -0.046 0.000 2.622 541 S HA 0.383 4.853 4.470 0.001 0.000 0.275 541 S C -2.072 172.260 174.600 -0.447 0.000 1.112 541 S CA -0.787 57.222 58.200 -0.318 0.000 0.837 541 S CB 1.365 64.213 63.200 -0.587 0.000 1.082 541 S HN 0.380 nan 8.310 nan 0.000 0.456 542 D N 0.508 120.560 120.400 -0.580 0.000 2.198 542 D HA 0.597 5.237 4.640 0.001 0.000 0.247 542 D C -1.277 174.572 176.300 -0.751 0.000 1.010 542 D CA -0.017 53.720 54.000 -0.438 0.000 0.880 542 D CB 0.881 41.566 40.800 -0.192 0.000 1.209 542 D HN 0.424 nan 8.370 nan 0.000 0.451 543 W N 1.056 122.326 121.300 -0.049 0.000 2.554 543 W HA 0.477 5.138 4.660 0.001 0.000 0.324 543 W C -0.930 175.563 176.519 -0.043 0.000 1.018 543 W CA -0.905 56.408 57.345 -0.055 0.000 1.243 543 W CB 1.274 30.637 29.460 -0.160 0.000 1.345 543 W HN -0.067 nan 8.180 nan 0.000 0.441 544 V N 4.583 124.552 119.914 0.092 0.000 2.394 544 V HA 0.551 4.671 4.120 0.001 0.000 0.282 544 V C -0.288 175.790 176.094 -0.026 0.000 1.031 544 V CA -0.927 61.283 62.300 -0.151 0.000 0.881 544 V CB 1.327 32.794 31.823 -0.593 0.000 0.982 544 V HN 0.296 nan 8.190 nan 0.000 0.451 545 V N 5.610 125.547 119.914 0.038 0.000 2.531 545 V HA 0.531 4.652 4.120 0.001 0.000 0.301 545 V C -0.343 175.784 176.094 0.055 0.000 1.034 545 V CA -0.943 61.400 62.300 0.071 0.000 0.865 545 V CB 1.977 33.867 31.823 0.111 0.000 0.995 545 V HN 0.873 nan 8.190 nan 0.000 0.424 546 K N 4.309 124.737 120.400 0.047 0.000 2.324 546 K HA 0.703 5.023 4.320 0.001 0.000 0.253 546 K C -1.398 175.255 176.600 0.089 0.000 0.932 546 K CA -0.869 55.476 56.287 0.096 0.000 0.799 546 K CB 2.763 35.329 32.500 0.110 0.000 1.154 546 K HN 0.442 nan 8.250 nan 0.000 0.425 547 L N 4.483 125.773 121.223 0.111 0.000 2.287 547 L HA 0.539 4.879 4.340 0.001 0.000 0.287 547 L C -1.324 175.645 176.870 0.165 0.000 1.022 547 L CA -0.270 54.636 54.840 0.109 0.000 0.814 547 L CB 0.677 42.800 42.059 0.106 0.000 1.217 547 L HN 0.605 nan 8.230 nan 0.000 0.420 548 I N 3.726 124.401 120.570 0.175 0.000 2.689 548 I HA 0.362 4.533 4.170 0.001 0.000 0.299 548 I C -1.067 175.256 176.117 0.342 0.000 1.059 548 I CA -0.724 60.708 61.300 0.219 0.000 1.055 548 I CB 2.198 40.291 38.000 0.155 0.000 1.243 548 I HN 0.509 nan 8.210 nan 0.000 0.425 549 D N 5.310 125.947 120.400 0.395 0.000 2.392 549 D HA 0.291 4.932 4.640 0.001 0.000 0.228 549 D C -0.892 175.643 176.300 0.392 0.000 1.074 549 D CA -0.276 54.053 54.000 0.549 0.000 0.838 549 D CB 1.430 42.504 40.800 0.456 0.000 1.067 549 D HN 0.073 nan 8.370 nan 0.000 0.511 550 V N 5.032 125.146 119.914 0.332 0.000 2.432 550 V HA 0.141 4.262 4.120 0.001 0.000 0.271 550 V C 0.803 176.981 176.094 0.140 0.000 1.046 550 V CA -0.716 61.705 62.300 0.202 0.000 0.945 550 V CB 1.034 32.933 31.823 0.125 0.000 0.992 550 V HN 0.487 nan 8.190 nan 0.000 0.471 551 Q N 5.117 124.951 119.800 0.057 0.000 2.443 551 Q HA 0.294 4.635 4.340 0.001 0.000 0.232 551 Q C -2.290 173.543 176.000 -0.278 0.000 1.026 551 Q CA -2.030 53.638 55.803 -0.225 0.000 0.924 551 Q CB -0.035 28.669 28.738 -0.056 0.000 1.256 551 Q HN 0.432 nan 8.270 nan 0.000 0.519 552 P HA -0.078 nan 4.420 nan 0.000 0.265 552 P C 0.084 177.333 177.300 -0.084 0.000 1.187 552 P CA 0.539 63.522 63.100 -0.194 0.000 0.766 552 P CB 0.393 32.003 31.700 -0.149 0.000 0.820 553 A N 3.977 126.771 122.820 -0.043 0.000 1.954 553 A HA -0.189 4.132 4.320 0.001 0.000 0.222 553 A C 0.978 178.553 177.584 -0.015 0.000 1.199 553 A CA 1.868 53.893 52.037 -0.018 0.000 0.657 553 A CB -0.689 18.305 19.000 -0.009 0.000 0.823 553 A HN 0.508 nan 8.150 nan 0.000 0.463 554 M N -0.315 119.274 119.600 -0.019 0.000 2.326 554 M HA 0.322 4.802 4.480 0.001 0.000 0.306 554 M C -0.807 175.480 176.300 -0.021 0.000 1.054 554 M CA -0.078 55.213 55.300 -0.014 0.000 0.922 554 M CB 1.643 34.238 32.600 -0.009 0.000 1.632 554 M HN 0.283 nan 8.290 nan 0.000 0.436 555 T N -0.719 113.823 114.554 -0.020 0.000 3.250 555 T HA 0.403 4.753 4.350 0.001 0.000 0.391 555 T C -2.000 172.689 174.700 -0.018 0.000 1.502 555 T CA -1.397 60.689 62.100 -0.023 0.000 1.320 555 T CB 0.496 69.344 68.868 -0.034 0.000 1.102 555 T HN 0.377 nan 8.240 nan 0.000 0.610 556 P HA -0.061 nan 4.420 nan 0.000 0.219 556 P C 0.580 177.873 177.300 -0.012 0.000 1.146 556 P CA 0.958 64.052 63.100 -0.010 0.000 0.808 556 P CB 0.272 31.969 31.700 -0.006 0.000 0.779 557 D N -0.705 119.687 120.400 -0.014 0.000 2.317 557 D HA -0.041 4.599 4.640 0.001 0.000 0.211 557 D C 0.350 176.635 176.300 -0.025 0.000 0.966 557 D CA 1.219 55.209 54.000 -0.016 0.000 0.876 557 D CB -0.155 40.637 40.800 -0.014 0.000 0.927 557 D HN 0.199 nan 8.370 nan 0.000 0.519 558 D N -1.304 119.078 120.400 -0.030 0.000 2.668 558 D HA 0.135 4.776 4.640 0.001 0.000 0.247 558 D C -2.112 174.167 176.300 -0.035 0.000 1.268 558 D CA -1.663 52.313 54.000 -0.041 0.000 0.842 558 D CB 1.249 42.012 40.800 -0.062 0.000 1.399 558 D HN -0.240 nan 8.370 nan 0.000 0.530 559 P HA -0.217 nan 4.420 nan 0.000 0.217 559 P C 1.269 178.567 177.300 -0.004 0.000 1.151 559 P CA 1.560 64.652 63.100 -0.013 0.000 0.849 559 P CB 0.090 31.784 31.700 -0.010 0.000 0.787 560 K N -1.133 119.263 120.400 -0.006 0.000 2.360 560 K HA -0.080 4.240 4.320 0.001 0.000 0.201 560 K C 1.422 178.054 176.600 0.053 0.000 1.046 560 K CA 1.284 57.582 56.287 0.018 0.000 0.945 560 K CB -0.578 31.928 32.500 0.009 0.000 0.750 560 K HN 0.079 nan 8.250 nan 0.000 0.464 561 M N 1.511 121.112 119.600 0.003 0.000 2.561 561 M HA 0.115 4.595 4.480 0.001 0.000 0.238 561 M C 0.702 177.038 176.300 0.059 0.000 1.131 561 M CA 0.197 55.496 55.300 -0.003 0.000 1.046 561 M CB -0.246 32.274 32.600 -0.132 0.000 1.532 561 M HN 0.214 nan 8.290 nan 0.000 0.497 562 G N 0.278 109.101 108.800 0.038 0.000 2.299 562 G HA2 0.329 4.289 3.960 0.001 0.000 0.256 562 G HA3 0.329 4.289 3.960 0.001 0.000 0.256 562 G C 1.110 176.037 174.900 0.045 0.000 1.259 562 G CA 0.378 45.492 45.100 0.022 0.000 0.943 562 G HN 0.685 nan 8.290 nan 0.000 0.479 563 G N 1.698 110.517 108.800 0.032 0.000 2.168 563 G HA2 -0.331 3.629 3.960 0.001 0.000 0.263 563 G HA3 -0.331 3.629 3.960 0.001 0.000 0.263 563 G C 0.495 175.441 174.900 0.075 0.000 0.977 563 G CA 0.686 45.807 45.100 0.035 0.000 0.659 563 G HN 1.118 nan 8.290 nan 0.000 0.533 564 Y N 1.798 122.086 120.300 -0.021 0.000 2.805 564 Y HA 0.307 4.858 4.550 0.000 0.000 0.331 564 Y C 0.841 176.752 175.900 0.018 0.000 1.241 564 Y CA 0.658 58.753 58.100 -0.009 0.000 1.546 564 Y CB 0.422 38.871 38.460 -0.019 0.000 1.248 564 Y HN 0.358 nan 8.280 nan 0.000 0.559 565 E N 6.872 127.009 120.200 -0.105 0.000 1.936 565 E HA 0.140 4.491 4.350 0.001 0.000 0.267 565 E C -1.232 175.403 176.600 0.058 0.000 1.076 565 E CA -0.538 55.866 56.400 0.006 0.000 0.870 565 E CB 0.375 30.053 29.700 -0.037 0.000 1.093 565 E HN 0.403 nan 8.360 nan 0.000 0.411 566 L N 5.253 126.642 121.223 0.277 0.000 2.278 566 L HA 0.336 4.676 4.340 0.001 0.000 0.287 566 L C -2.574 174.425 176.870 0.216 0.000 1.072 566 L CA -2.177 52.847 54.840 0.306 0.000 0.819 566 L CB 0.444 42.697 42.059 0.323 0.000 1.176 566 L HN 0.154 nan 8.230 nan 0.000 0.435 567 P HA 0.100 nan 4.420 nan 0.000 0.282 567 P C 0.552 178.030 177.300 0.297 0.000 1.262 567 P CA -0.259 62.966 63.100 0.209 0.000 0.773 567 P CB 1.092 32.907 31.700 0.192 0.000 0.879 568 V N 0.623 120.662 119.914 0.208 0.000 3.307 568 V HA 0.248 4.368 4.120 0.001 0.000 0.253 568 V C 0.575 176.700 176.094 0.052 0.000 1.149 568 V CA 0.590 62.961 62.300 0.117 0.000 1.112 568 V CB -0.091 31.628 31.823 -0.175 0.000 0.777 568 V HN 0.543 nan 8.190 nan 0.000 0.464 569 S N 1.045 116.815 115.700 0.116 0.000 2.584 569 S HA 0.741 5.212 4.470 0.001 0.000 0.280 569 S C -0.991 173.715 174.600 0.176 0.000 1.162 569 S CA -0.672 57.592 58.200 0.107 0.000 0.951 569 S CB 1.152 64.390 63.200 0.064 0.000 1.108 569 S HN 0.606 nan 8.310 nan 0.000 0.464 570 M N 2.763 122.511 119.600 0.246 0.000 2.470 570 M HA 0.785 5.265 4.480 0.001 0.000 0.285 570 M C -1.721 174.868 176.300 0.481 0.000 1.213 570 M CA -0.746 54.757 55.300 0.339 0.000 0.901 570 M CB 2.250 35.092 32.600 0.404 0.000 1.718 570 M HN 0.487 nan 8.290 nan 0.000 0.469 571 D N 0.756 121.432 120.400 0.461 0.000 2.671 571 D HA 0.643 5.283 4.640 0.001 0.000 0.273 571 D C -2.018 174.517 176.300 0.392 0.000 1.264 571 D CA -0.392 53.959 54.000 0.585 0.000 0.788 571 D CB 3.116 44.293 40.800 0.629 0.000 1.324 571 D HN 0.847 nan 8.370 nan 0.000 0.424 572 I N 1.108 121.898 120.570 0.368 0.000 2.646 572 I HA 0.629 4.799 4.170 0.001 0.000 0.299 572 I C -1.538 174.639 176.117 0.101 0.000 1.036 572 I CA -0.897 60.466 61.300 0.105 0.000 1.074 572 I CB 1.546 39.477 38.000 -0.114 0.000 1.258 572 I HN 0.283 nan 8.210 nan 0.000 0.430 573 F N 6.807 126.616 119.950 -0.235 0.000 2.539 573 F HA 0.510 5.037 4.527 0.001 0.000 0.318 573 F C -0.430 175.317 175.800 -0.087 0.000 1.135 573 F CA -0.752 57.043 58.000 -0.341 0.000 0.915 573 F CB 1.238 39.595 39.000 -1.072 0.000 1.176 573 F HN 0.404 nan 8.300 nan 0.000 0.440 574 R N 4.000 124.309 120.500 -0.319 0.000 2.220 574 R HA 0.308 4.648 4.340 0.001 0.000 0.340 574 R C 1.283 177.623 176.300 0.066 0.000 1.076 574 R CA 0.512 56.577 56.100 -0.058 0.000 0.920 574 R CB 0.750 31.088 30.300 0.064 0.000 1.062 574 R HN 0.986 nan 8.270 nan 0.000 0.469 575 G N 4.992 113.964 108.800 0.287 0.000 2.545 575 G HA2 -0.387 3.573 3.960 0.001 0.000 0.222 575 G HA3 -0.387 3.573 3.960 0.001 0.000 0.222 575 G C 1.256 176.377 174.900 0.367 0.000 1.126 575 G CA 1.058 46.494 45.100 0.560 0.000 0.754 575 G HN 0.794 nan 8.290 nan 0.000 0.583 576 R N -0.539 120.001 120.500 0.067 0.000 2.249 576 R HA -0.069 4.271 4.340 0.001 0.000 0.230 576 R C 1.204 177.402 176.300 -0.171 0.000 1.121 576 R CA 1.273 57.324 56.100 -0.082 0.000 0.997 576 R CB -0.606 29.591 30.300 -0.171 0.000 0.867 576 R HN 0.503 nan 8.270 nan 0.000 0.465 577 Y N 0.507 120.948 120.300 0.234 0.000 2.532 577 Y HA 0.276 4.826 4.550 0.000 0.000 0.283 577 Y C 2.247 178.267 175.900 0.200 0.000 1.181 577 Y CA -0.619 57.596 58.100 0.192 0.000 1.256 577 Y CB 0.053 38.674 38.460 0.267 0.000 1.112 577 Y HN -0.007 nan 8.280 nan 0.000 0.521 578 R N 1.270 122.015 120.500 0.408 0.000 2.096 578 R HA -0.209 4.132 4.340 0.001 0.000 0.240 578 R C 1.537 177.846 176.300 0.014 0.000 1.139 578 R CA 1.970 58.236 56.100 0.277 0.000 0.952 578 R CB 0.110 30.444 30.300 0.057 0.000 0.854 578 R HN 0.314 nan 8.270 nan 0.000 0.436 579 K N -1.296 119.098 120.400 -0.009 0.000 2.128 579 K HA 0.008 4.328 4.320 0.001 0.000 0.202 579 K C 0.024 176.578 176.600 -0.075 0.000 1.050 579 K CA 0.647 56.899 56.287 -0.058 0.000 0.966 579 K CB 0.292 32.768 32.500 -0.039 0.000 0.759 579 K HN 0.052 nan 8.250 nan 0.000 0.454 580 D N -1.322 119.059 120.400 -0.031 0.000 2.970 580 D HA 0.122 4.763 4.640 0.001 0.000 0.230 580 D C -0.147 176.212 176.300 0.098 0.000 1.276 580 D CA -0.529 53.462 54.000 -0.015 0.000 0.910 580 D CB 0.991 41.825 40.800 0.056 0.000 1.590 580 D HN -0.204 nan 8.370 nan 0.000 0.551 581 F N 1.864 121.935 119.950 0.201 0.000 2.293 581 F HA 0.077 4.605 4.527 0.000 0.000 0.300 581 F C 2.356 178.136 175.800 -0.034 0.000 1.086 581 F CA 0.945 58.983 58.000 0.064 0.000 1.375 581 F CB -0.279 38.626 39.000 -0.159 0.000 1.045 581 F HN 0.491 nan 8.300 nan 0.000 0.516 582 A N -1.350 121.599 122.820 0.215 0.000 2.178 582 A HA 0.085 4.405 4.320 0.001 0.000 0.211 582 A C 0.906 178.591 177.584 0.168 0.000 1.157 582 A CA 0.459 52.568 52.037 0.119 0.000 0.780 582 A CB -0.026 19.019 19.000 0.075 0.000 0.828 582 A HN -0.063 nan 8.150 nan 0.000 0.476 583 K N 1.415 121.944 120.400 0.216 0.000 2.646 583 K HA 0.309 4.629 4.320 0.001 0.000 0.210 583 K C -3.205 173.525 176.600 0.217 0.000 1.020 583 K CA -1.885 54.514 56.287 0.186 0.000 1.040 583 K CB 1.683 34.249 32.500 0.110 0.000 1.253 583 K HN 0.176 nan 8.250 nan 0.000 0.532 584 P HA 0.183 nan 4.420 nan 0.000 0.271 584 P C -0.582 176.798 177.300 0.133 0.000 1.218 584 P CA -0.000 63.206 63.100 0.177 0.000 0.780 584 P CB 1.323 33.120 31.700 0.162 0.000 0.901 585 E N 0.176 120.355 120.200 -0.036 0.000 2.356 585 E HA 0.543 4.894 4.350 0.001 0.000 0.275 585 E C -0.773 175.459 176.600 -0.613 0.000 0.904 585 E CA -1.122 55.067 56.400 -0.351 0.000 0.757 585 E CB 2.481 32.070 29.700 -0.184 0.000 1.232 585 E HN 0.488 nan 8.360 nan 0.000 0.442 586 A N 2.709 124.868 122.820 -1.101 0.000 2.445 586 A HA 0.334 4.655 4.320 0.001 0.000 0.242 586 A C -0.149 177.286 177.584 -0.249 0.000 1.075 586 A CA -0.078 51.505 52.037 -0.758 0.000 0.777 586 A CB 0.174 18.771 19.000 -0.672 0.000 1.013 586 A HN 0.518 nan 8.150 nan 0.000 0.493 587 L N 0.764 121.950 121.223 -0.061 0.000 2.399 587 L HA 0.298 4.639 4.340 0.001 0.000 0.266 587 L C 0.498 177.378 176.870 0.016 0.000 1.114 587 L CA -0.619 54.241 54.840 0.034 0.000 0.804 587 L CB 0.935 43.090 42.059 0.160 0.000 1.146 587 L HN 0.807 nan 8.230 nan 0.000 0.451 588 Q N 3.709 123.523 119.800 0.024 0.000 2.307 588 Q HA 0.254 4.594 4.340 0.001 0.000 0.259 588 Q C -2.393 173.637 176.000 0.051 0.000 0.998 588 Q CA -1.536 54.278 55.803 0.018 0.000 0.923 588 Q CB 0.981 29.723 28.738 0.006 0.000 1.196 588 Q HN 0.142 nan 8.270 nan 0.000 0.416 589 P HA 0.018 nan 4.420 nan 0.000 0.268 589 P C -0.740 176.594 177.300 0.056 0.000 1.205 589 P CA 0.250 63.386 63.100 0.059 0.000 0.771 589 P CB 0.566 32.293 31.700 0.044 0.000 0.858 590 D N -1.257 119.185 120.400 0.071 0.000 3.077 590 D HA -0.208 4.432 4.640 0.001 0.000 0.217 590 D C 0.064 176.398 176.300 0.057 0.000 1.162 590 D CA 1.496 55.534 54.000 0.064 0.000 0.943 590 D CB -1.391 39.437 40.800 0.046 0.000 1.122 590 D HN 0.526 nan 8.370 nan 0.000 0.413 591 A N 0.508 123.365 122.820 0.061 0.000 2.290 591 A HA 0.516 4.836 4.320 0.001 0.000 0.310 591 A C 0.535 178.155 177.584 0.061 0.000 1.202 591 A CA -0.161 51.902 52.037 0.043 0.000 0.837 591 A CB 0.870 19.887 19.000 0.028 0.000 1.139 591 A HN -0.010 nan 8.150 nan 0.000 0.509 592 T N 3.853 118.431 114.554 0.040 0.000 2.752 592 T HA 0.426 4.776 4.350 0.001 0.000 0.295 592 T C -0.049 174.685 174.700 0.056 0.000 0.923 592 T CA 0.576 62.711 62.100 0.058 0.000 1.112 592 T CB -0.467 68.400 68.868 -0.001 0.000 0.884 592 T HN 0.423 nan 8.240 nan 0.000 0.525 593 L N 2.596 123.848 121.223 0.049 0.000 2.333 593 L HA 0.444 4.784 4.340 0.001 0.000 0.269 593 L C 0.355 177.093 176.870 -0.220 0.000 1.010 593 L CA -1.086 53.696 54.840 -0.097 0.000 0.818 593 L CB 1.877 43.804 42.059 -0.218 0.000 1.306 593 L HN 0.646 nan 8.230 nan 0.000 0.430 594 H N 1.733 120.524 119.070 -0.465 0.000 2.652 594 H HA 0.332 4.888 4.556 0.000 0.000 0.298 594 H C -1.542 173.355 175.328 -0.719 0.000 1.076 594 H CA -0.489 55.164 56.048 -0.659 0.000 1.360 594 H CB 0.596 30.060 29.762 -0.497 0.000 1.421 594 H HN 0.397 nan 8.280 nan 0.000 0.464 595 Y N 3.182 123.184 120.300 -0.497 0.000 2.377 595 Y HA 0.218 4.768 4.550 0.000 0.000 0.339 595 Y C -0.282 175.315 175.900 -0.506 0.000 1.011 595 Y CA -0.789 57.021 58.100 -0.483 0.000 1.093 595 Y CB 1.488 39.732 38.460 -0.360 0.000 1.201 595 Y HN 0.685 nan 8.280 nan 0.000 0.455 596 H N 4.311 123.139 119.070 -0.404 0.000 3.108 596 H HA 0.550 5.106 4.556 0.000 0.000 0.329 596 H C -1.775 173.475 175.328 -0.129 0.000 0.978 596 H CA -1.137 54.686 56.048 -0.376 0.000 1.413 596 H CB 0.574 30.059 29.762 -0.462 0.000 1.670 596 H HN 0.507 nan 8.280 nan 0.000 0.512 597 F N 1.280 120.957 119.950 -0.456 0.000 2.628 597 F HA 0.461 4.989 4.527 0.001 0.000 0.309 597 F C -0.706 175.031 175.800 -0.105 0.000 1.108 597 F CA -1.111 56.735 58.000 -0.256 0.000 0.971 597 F CB 0.831 39.568 39.000 -0.438 0.000 1.279 597 F HN 0.402 nan 8.300 nan 0.000 0.441 598 T N 1.442 116.155 114.554 0.266 0.000 2.907 598 T HA 0.636 4.986 4.350 0.001 0.000 0.298 598 T C -0.330 174.598 174.700 0.379 0.000 1.017 598 T CA -0.488 61.740 62.100 0.213 0.000 1.118 598 T CB 0.935 69.946 68.868 0.239 0.000 0.948 598 T HN 0.724 nan 8.240 nan 0.000 0.531 599 L N 2.728 124.069 121.223 0.197 0.000 2.331 599 L HA 0.530 4.870 4.340 0.001 0.000 0.268 599 L C -2.167 174.804 176.870 0.170 0.000 1.015 599 L CA -3.125 51.858 54.840 0.239 0.000 0.807 599 L CB 1.407 43.544 42.059 0.130 0.000 1.293 599 L HN 0.428 nan 8.230 nan 0.000 0.451 600 P HA -0.014 nan 4.420 nan 0.000 0.266 600 P C -0.783 176.528 177.300 0.018 0.000 1.193 600 P CA -0.106 63.045 63.100 0.084 0.000 0.770 600 P CB 0.429 32.174 31.700 0.075 0.000 0.836 601 A N 2.601 125.413 122.820 -0.012 0.000 2.483 601 A HA 0.415 4.735 4.320 0.001 0.000 0.238 601 A C 0.228 177.779 177.584 -0.054 0.000 1.070 601 A CA 0.020 52.059 52.037 0.003 0.000 0.770 601 A CB -0.340 18.705 19.000 0.076 0.000 1.008 601 A HN 0.468 nan 8.150 nan 0.000 0.497 602 V N -0.151 119.762 119.914 -0.002 0.000 2.914 602 V HA 0.842 4.963 4.120 0.001 0.000 0.314 602 V C -0.568 175.541 176.094 0.025 0.000 1.084 602 V CA -0.858 61.415 62.300 -0.046 0.000 0.963 602 V CB 2.107 33.924 31.823 -0.009 0.000 1.025 602 V HN 0.878 nan 8.190 nan 0.000 0.432 603 N N 1.240 119.921 118.700 -0.031 0.000 2.722 603 N HA 0.435 5.176 4.740 0.001 0.000 0.242 603 N C -1.212 174.288 175.510 -0.018 0.000 1.398 603 N CA -0.195 52.862 53.050 0.013 0.000 0.755 603 N CB 0.489 38.954 38.487 -0.036 0.000 1.268 603 N HN 1.135 nan 8.380 nan 0.000 0.522 604 H N -0.126 118.857 119.070 -0.145 0.000 2.977 604 H HA 0.765 5.321 4.556 0.001 0.000 0.350 604 H C -1.487 173.692 175.328 -0.249 0.000 1.238 604 H CA -0.663 55.239 56.048 -0.245 0.000 1.124 604 H CB 1.682 31.227 29.762 -0.362 0.000 1.866 604 H HN -0.040 nan 8.280 nan 0.000 0.550 605 V N 3.178 122.517 119.914 -0.958 0.000 2.525 605 V HA 0.259 4.379 4.120 0.001 0.000 0.299 605 V C -0.985 174.649 176.094 -0.767 0.000 1.034 605 V CA -0.643 61.314 62.300 -0.573 0.000 0.863 605 V CB 1.202 32.810 31.823 -0.359 0.000 0.999 605 V HN 0.591 nan 8.190 nan 0.000 0.423 606 F N 3.854 123.693 119.950 -0.185 0.000 2.405 606 F HA 0.646 5.173 4.527 -0.000 0.000 0.358 606 F C 1.021 176.703 175.800 -0.196 0.000 1.151 606 F CA -0.147 57.779 58.000 -0.122 0.000 1.161 606 F CB 0.765 39.817 39.000 0.086 0.000 1.245 606 F HN 0.600 nan 8.300 nan 0.000 0.545 607 A N 4.114 126.736 122.820 -0.329 0.000 2.310 607 A HA 0.348 4.668 4.320 0.001 0.000 0.260 607 A C 0.436 178.056 177.584 0.061 0.000 1.112 607 A CA -0.761 51.169 52.037 -0.179 0.000 0.804 607 A CB 0.379 19.224 19.000 -0.258 0.000 1.081 607 A HN 0.675 nan 8.150 nan 0.000 0.499 608 K N -0.455 120.004 120.400 0.098 0.000 2.436 608 K HA 0.328 4.649 4.320 0.001 0.000 0.275 608 K C 1.138 177.873 176.600 0.224 0.000 0.999 608 K CA 1.112 57.482 56.287 0.138 0.000 0.980 608 K CB 0.145 32.698 32.500 0.088 0.000 0.919 608 K HN 1.384 nan 8.250 nan 0.000 0.484 609 G N 1.526 110.437 108.800 0.185 0.000 2.225 609 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 609 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 609 G C 0.133 175.124 174.900 0.151 0.000 0.988 609 G CA -0.122 45.066 45.100 0.147 0.000 0.625 609 G HN 0.762 nan 8.290 nan 0.000 0.527 610 H N 0.062 119.198 119.070 0.109 0.000 2.497 610 H HA 0.703 5.259 4.556 0.001 0.000 0.348 610 H C 0.504 175.911 175.328 0.133 0.000 1.335 610 H CA -0.292 55.844 56.048 0.147 0.000 1.395 610 H CB 0.925 30.824 29.762 0.228 0.000 1.658 610 H HN 0.239 nan 8.280 nan 0.000 0.613 611 R N 0.262 120.926 120.500 0.273 0.000 2.837 611 R HA 0.446 4.787 4.340 0.001 0.000 0.271 611 R C -0.825 175.547 176.300 0.120 0.000 0.993 611 R CA -0.805 55.381 56.100 0.143 0.000 0.931 611 R CB 2.040 32.391 30.300 0.084 0.000 1.206 611 R HN 0.398 nan 8.270 nan 0.000 0.474 612 I N 2.428 122.955 120.570 -0.071 0.000 2.392 612 I HA 0.413 4.583 4.170 0.001 0.000 0.295 612 I C -0.068 175.995 176.117 -0.091 0.000 0.985 612 I CA -0.417 60.730 61.300 -0.255 0.000 1.221 612 I CB 1.594 39.251 38.000 -0.571 0.000 1.366 612 I HN 0.426 nan 8.210 nan 0.000 0.467 613 M N 6.592 126.182 119.600 -0.018 0.000 2.518 613 M HA 0.669 5.149 4.480 0.001 0.000 0.300 613 M C -2.065 174.258 176.300 0.038 0.000 1.175 613 M CA -0.592 54.725 55.300 0.028 0.000 0.890 613 M CB 2.402 35.040 32.600 0.064 0.000 1.710 613 M HN 0.308 nan 8.290 nan 0.000 0.453 614 V N 3.596 123.551 119.914 0.068 0.000 2.531 614 V HA 0.478 4.599 4.120 0.001 0.000 0.301 614 V C -0.998 175.180 176.094 0.139 0.000 1.034 614 V CA -0.530 61.813 62.300 0.073 0.000 0.865 614 V CB 2.048 33.876 31.823 0.009 0.000 0.995 614 V HN 0.889 nan 8.190 nan 0.000 0.424 615 Q N 4.121 123.979 119.800 0.096 0.000 2.353 615 Q HA 0.726 5.066 4.340 0.001 0.000 0.268 615 Q C -1.372 174.659 176.000 0.051 0.000 1.045 615 Q CA -0.553 55.297 55.803 0.078 0.000 0.811 615 Q CB 3.116 31.876 28.738 0.036 0.000 1.305 615 Q HN 0.639 nan 8.270 nan 0.000 0.447 616 I N 2.423 123.020 120.570 0.046 0.000 2.545 616 I HA 0.383 4.553 4.170 0.001 0.000 0.292 616 I C -0.451 175.598 176.117 -0.113 0.000 1.040 616 I CA -0.559 60.767 61.300 0.043 0.000 1.068 616 I CB 1.940 40.045 38.000 0.175 0.000 1.251 616 I HN 0.640 nan 8.210 nan 0.000 0.424 617 Q N 2.754 122.516 119.800 -0.063 0.000 2.707 617 Q HA 0.535 4.875 4.340 0.001 0.000 0.307 617 Q C -1.326 174.715 176.000 0.069 0.000 0.934 617 Q CA -0.894 54.835 55.803 -0.124 0.000 0.753 617 Q CB 1.945 30.593 28.738 -0.149 0.000 1.478 617 Q HN 0.398 nan 8.270 nan 0.000 0.458 618 S N 0.090 115.846 115.700 0.094 0.000 2.846 618 S HA 0.318 4.788 4.470 0.001 0.000 0.249 618 S C -0.854 173.735 174.600 -0.020 0.000 1.028 618 S CA 0.293 58.469 58.200 -0.040 0.000 1.043 618 S CB 0.454 63.567 63.200 -0.145 0.000 0.990 618 S HN 0.613 nan 8.310 nan 0.000 0.564 619 S N -0.156 115.580 115.700 0.060 0.000 2.565 619 S HA 0.732 5.202 4.470 0.001 0.000 0.269 619 S C -2.113 172.685 174.600 0.329 0.000 1.153 619 S CA -0.705 57.599 58.200 0.173 0.000 0.835 619 S CB 1.485 64.779 63.200 0.157 0.000 1.122 619 S HN 0.234 nan 8.310 nan 0.000 0.462 620 W N 2.169 123.610 121.300 0.234 0.000 1.896 620 W HA 0.532 5.192 4.660 0.000 0.000 0.302 620 W C -2.090 174.600 176.519 0.285 0.000 1.016 620 W CA -1.688 55.825 57.345 0.280 0.000 1.200 620 W CB 0.827 30.452 29.460 0.275 0.000 1.226 620 W HN 0.683 nan 8.180 nan 0.000 0.308 621 F N 5.324 125.457 119.950 0.304 0.000 2.470 621 F HA 0.635 5.162 4.527 0.000 0.000 0.329 621 F C -1.211 174.740 175.800 0.252 0.000 1.072 621 F CA -2.597 55.479 58.000 0.127 0.000 0.989 621 F CB 1.826 40.858 39.000 0.054 0.000 1.193 621 F HN -0.071 nan 8.300 nan 0.000 0.481 622 P HA -0.012 nan 4.420 nan 0.000 0.257 622 P C 1.473 178.206 177.300 -0.945 0.000 1.281 622 P CA 0.354 62.621 63.100 -1.388 0.000 0.826 622 P CB 0.222 31.142 31.700 -1.299 0.000 1.237 623 L N -0.216 120.412 121.223 -0.992 0.000 2.013 623 L HA -0.072 4.268 4.340 0.001 0.000 0.212 623 L C 0.305 176.531 176.870 -1.073 0.000 1.073 623 L CA 1.788 55.889 54.840 -1.232 0.000 0.753 623 L CB -1.227 39.578 42.059 -2.090 0.000 0.890 623 L HN -0.117 nan 8.230 nan 0.000 0.432 624 Y N 0.591 120.618 120.300 -0.456 0.000 2.352 624 Y HA 0.320 4.870 4.550 0.001 0.000 0.339 624 Y C 0.156 176.043 175.900 -0.022 0.000 0.992 624 Y CA -1.950 56.021 58.100 -0.215 0.000 1.100 624 Y CB 0.549 38.997 38.460 -0.020 0.000 1.192 624 Y HN 0.208 nan 8.280 nan 0.000 0.458 625 D N 2.189 122.712 120.400 0.206 0.000 2.378 625 D HA 0.020 4.660 4.640 0.001 0.000 0.238 625 D C -0.355 176.174 176.300 0.382 0.000 1.180 625 D CA -0.287 53.923 54.000 0.350 0.000 0.895 625 D CB 0.713 41.769 40.800 0.426 0.000 1.192 625 D HN 0.484 nan 8.370 nan 0.000 0.438 626 R N 0.754 121.496 120.500 0.405 0.000 2.490 626 R HA 0.161 4.501 4.340 0.001 0.000 0.280 626 R C 0.533 176.990 176.300 0.261 0.000 1.077 626 R CA -0.602 55.670 56.100 0.286 0.000 1.065 626 R CB 0.351 30.748 30.300 0.163 0.000 1.003 626 R HN 0.449 nan 8.270 nan 0.000 0.470 627 N N 3.263 122.049 118.700 0.143 0.000 2.444 627 N HA 0.089 4.829 4.740 0.001 0.000 0.271 627 N C -1.913 173.615 175.510 0.030 0.000 1.069 627 N CA -1.944 51.133 53.050 0.044 0.000 0.965 627 N CB 1.453 39.922 38.487 -0.030 0.000 1.092 627 N HN 0.258 nan 8.380 nan 0.000 0.476 628 P HA -0.069 nan 4.420 nan 0.000 0.222 628 P C -0.364 176.864 177.300 -0.121 0.000 1.147 628 P CA 0.996 63.904 63.100 -0.320 0.000 0.790 628 P CB 0.228 31.534 31.700 -0.656 0.000 0.780 629 Q N -2.851 116.901 119.800 -0.080 0.000 2.493 629 Q HA -0.199 4.142 4.340 0.001 0.000 0.260 629 Q C 0.074 176.065 176.000 -0.015 0.000 0.905 629 Q CA 0.791 56.570 55.803 -0.040 0.000 1.140 629 Q CB -1.786 26.934 28.738 -0.029 0.000 1.435 629 Q HN 0.320 nan 8.270 nan 0.000 0.581 630 K N 0.254 120.633 120.400 -0.035 0.000 2.535 630 K HA 0.408 4.728 4.320 0.001 0.000 0.250 630 K C -1.261 175.349 176.600 0.017 0.000 0.948 630 K CA -0.767 55.521 56.287 0.002 0.000 0.796 630 K CB 0.986 33.462 32.500 -0.039 0.000 1.216 630 K HN 0.002 nan 8.250 nan 0.000 0.432 631 F N 5.626 125.545 119.950 -0.052 0.000 2.533 631 F HA 0.198 4.725 4.527 0.001 0.000 0.378 631 F C -0.356 175.411 175.800 -0.054 0.000 1.070 631 F CA 0.192 58.159 58.000 -0.054 0.000 1.172 631 F CB 0.509 39.488 39.000 -0.035 0.000 1.085 631 F HN 0.225 nan 8.300 nan 0.000 0.552 632 V N 4.964 124.495 119.914 -0.639 0.000 2.914 632 V HA 0.515 4.635 4.120 0.001 0.000 0.314 632 V C -2.152 173.535 176.094 -0.679 0.000 1.084 632 V CA -1.946 60.071 62.300 -0.472 0.000 0.963 632 V CB 1.478 33.134 31.823 -0.277 0.000 1.025 632 V HN 0.521 nan 8.190 nan 0.000 0.432 633 P HA -0.103 nan 4.420 nan 0.000 0.215 633 P C 0.183 177.338 177.300 -0.241 0.000 1.157 633 P CA 1.556 64.487 63.100 -0.281 0.000 0.874 633 P CB 0.105 31.737 31.700 -0.113 0.000 0.790 634 N N -1.425 117.163 118.700 -0.187 0.000 2.500 634 N HA 0.180 4.920 4.740 0.001 0.000 0.291 634 N C 0.536 175.978 175.510 -0.113 0.000 1.092 634 N CA -0.413 52.561 53.050 -0.127 0.000 0.890 634 N CB 0.901 39.339 38.487 -0.081 0.000 1.466 634 N HN -0.211 nan 8.380 nan 0.000 0.507 635 I N 2.311 122.782 120.570 -0.166 0.000 2.493 635 I HA -0.184 3.986 4.170 0.001 0.000 0.254 635 I C 1.402 177.521 176.117 0.004 0.000 1.160 635 I CA 0.958 62.180 61.300 -0.129 0.000 1.445 635 I CB -0.142 37.769 38.000 -0.147 0.000 1.086 635 I HN 0.490 nan 8.210 nan 0.000 0.433 636 F N 1.046 121.064 119.950 0.113 0.000 2.161 636 F HA -0.247 4.280 4.527 0.001 0.000 0.300 636 F C 1.540 177.488 175.800 0.247 0.000 1.089 636 F CA 0.917 59.047 58.000 0.217 0.000 1.282 636 F CB -0.133 38.991 39.000 0.206 0.000 1.010 636 F HN 0.136 nan 8.300 nan 0.000 0.485 637 D N 0.390 120.990 120.400 0.333 0.000 2.427 637 D HA 0.200 4.841 4.640 0.001 0.000 0.224 637 D C 0.491 176.884 176.300 0.156 0.000 1.157 637 D CA 0.121 54.275 54.000 0.256 0.000 0.828 637 D CB -0.238 40.689 40.800 0.212 0.000 0.974 637 D HN 0.030 nan 8.370 nan 0.000 0.498 638 A N 0.898 123.800 122.820 0.137 0.000 2.498 638 A HA 0.158 4.479 4.320 0.001 0.000 0.239 638 A C 0.654 178.339 177.584 0.167 0.000 1.068 638 A CA 0.155 52.217 52.037 0.043 0.000 0.766 638 A CB 0.562 19.485 19.000 -0.128 0.000 1.003 638 A HN -0.009 nan 8.150 nan 0.000 0.497 639 K N 2.598 123.064 120.400 0.111 0.000 2.095 639 K HA 0.359 4.679 4.320 0.001 0.000 0.252 639 K C -1.910 174.847 176.600 0.261 0.000 0.977 639 K CA -1.825 54.560 56.287 0.164 0.000 0.900 639 K CB 0.792 33.346 32.500 0.091 0.000 1.060 639 K HN 0.302 nan 8.250 nan 0.000 0.449 640 P HA -0.260 nan 4.420 nan 0.000 0.216 640 P C 0.829 178.270 177.300 0.235 0.000 1.157 640 P CA 1.504 64.745 63.100 0.234 0.000 0.880 640 P CB 0.082 31.848 31.700 0.109 0.000 0.791 641 A N -0.463 122.441 122.820 0.139 0.000 2.070 641 A HA -0.193 4.127 4.320 0.001 0.000 0.220 641 A C 1.818 179.447 177.584 0.076 0.000 1.159 641 A CA 1.785 53.879 52.037 0.095 0.000 0.656 641 A CB -1.202 17.834 19.000 0.060 0.000 0.800 641 A HN 0.110 nan 8.150 nan 0.000 0.453 642 D N -1.267 119.159 120.400 0.045 0.000 2.224 642 D HA -0.037 4.604 4.640 0.001 0.000 0.205 642 D C -0.224 175.984 176.300 -0.154 0.000 0.965 642 D CA 0.633 54.578 54.000 -0.091 0.000 0.852 642 D CB -0.293 40.374 40.800 -0.221 0.000 0.947 642 D HN 0.562 nan 8.370 nan 0.000 0.494 643 Y N 1.139 121.445 120.300 0.010 0.000 2.587 643 Y HA 0.157 4.707 4.550 0.000 0.000 0.344 643 Y C 0.704 176.606 175.900 0.003 0.000 1.061 643 Y CA 0.166 58.267 58.100 0.001 0.000 1.370 643 Y CB 0.399 38.853 38.460 -0.010 0.000 1.163 643 Y HN -0.339 nan 8.280 nan 0.000 0.527 644 T N 3.242 117.850 114.554 0.089 0.000 2.829 644 T HA 0.422 4.772 4.350 0.001 0.000 0.280 644 T C -0.280 174.456 174.700 0.060 0.000 0.999 644 T CA -0.839 61.299 62.100 0.063 0.000 0.983 644 T CB 1.376 70.261 68.868 0.029 0.000 0.968 644 T HN 0.208 nan 8.240 nan 0.000 0.446 645 V N 2.337 122.287 119.914 0.059 0.000 2.715 645 V HA 0.603 4.723 4.120 0.001 0.000 0.299 645 V C 0.474 176.589 176.094 0.035 0.000 1.054 645 V CA -0.150 62.182 62.300 0.054 0.000 1.077 645 V CB 0.705 32.565 31.823 0.061 0.000 0.972 645 V HN 1.139 nan 8.190 nan 0.000 0.484 646 A N 3.404 126.236 122.820 0.021 0.000 2.539 646 A HA 0.757 5.077 4.320 0.001 0.000 0.296 646 A C -0.349 177.223 177.584 -0.020 0.000 1.073 646 A CA -0.590 51.449 52.037 0.003 0.000 0.700 646 A CB 1.814 20.808 19.000 -0.010 0.000 1.296 646 A HN 0.659 nan 8.150 nan 0.000 0.405 647 T N 2.927 117.471 114.554 -0.016 0.000 2.744 647 T HA 0.487 4.837 4.350 0.001 0.000 0.291 647 T C -0.519 174.139 174.700 -0.070 0.000 0.957 647 T CA -0.271 61.804 62.100 -0.042 0.000 1.002 647 T CB 0.688 69.557 68.868 0.001 0.000 0.919 647 T HN 0.556 nan 8.240 nan 0.000 0.468 648 Q N 1.884 121.546 119.800 -0.229 0.000 2.274 648 Q HA 0.607 4.948 4.340 0.001 0.000 0.260 648 Q C -0.773 175.151 176.000 -0.126 0.000 0.974 648 Q CA -0.657 55.030 55.803 -0.193 0.000 0.876 648 Q CB 2.122 30.493 28.738 -0.611 0.000 1.297 648 Q HN 0.547 nan 8.270 nan 0.000 0.446 649 S N 1.962 117.707 115.700 0.076 0.000 2.647 649 S HA 0.541 5.011 4.470 0.001 0.000 0.300 649 S C -0.422 174.270 174.600 0.154 0.000 1.129 649 S CA -0.593 57.678 58.200 0.117 0.000 1.029 649 S CB 0.676 63.938 63.200 0.103 0.000 1.007 649 S HN 0.374 nan 8.310 nan 0.000 0.484 650 I N 2.963 123.659 120.570 0.209 0.000 2.312 650 I HA 0.316 4.487 4.170 0.001 0.000 0.290 650 I C 0.262 176.484 176.117 0.174 0.000 1.008 650 I CA -0.341 61.076 61.300 0.195 0.000 1.226 650 I CB 0.462 38.620 38.000 0.263 0.000 1.371 650 I HN 0.633 nan 8.210 nan 0.000 0.468 651 H N 5.319 124.429 119.070 0.067 0.000 2.582 651 H HA 0.530 5.086 4.556 0.000 0.000 0.345 651 H C -0.622 174.707 175.328 0.002 0.000 1.104 651 H CA -0.006 56.027 56.048 -0.025 0.000 1.390 651 H CB 0.543 30.278 29.762 -0.046 0.000 1.461 651 H HN 0.759 nan 8.280 nan 0.000 0.551 652 H N 1.542 120.439 119.070 -0.288 0.000 2.895 652 H HA 0.607 5.163 4.556 0.001 0.000 0.373 652 H C 0.204 175.417 175.328 -0.191 0.000 1.174 652 H CA -0.770 55.178 56.048 -0.166 0.000 1.144 652 H CB 1.104 30.764 29.762 -0.169 0.000 1.793 652 H HN 1.000 nan 8.280 nan 0.000 0.551 653 G N -0.117 108.674 108.800 -0.014 0.000 2.860 653 G HA2 0.294 4.254 3.960 0.001 0.000 0.553 653 G HA3 0.294 4.254 3.960 0.001 0.000 0.553 653 G C 0.559 175.464 174.900 0.008 0.000 1.439 653 G CA 0.530 45.594 45.100 -0.060 0.000 0.879 653 G HN 2.214 nan 8.290 nan 0.000 0.545 654 G N -0.434 108.416 108.800 0.084 0.000 2.564 654 G HA2 -0.192 3.769 3.960 0.001 0.000 0.273 654 G HA3 -0.192 3.769 3.960 0.001 0.000 0.273 654 G C 0.924 175.843 174.900 0.033 0.000 1.242 654 G CA 1.130 46.265 45.100 0.059 0.000 0.951 654 G HN 1.595 nan 8.290 nan 0.000 0.564 655 K N 0.975 121.300 120.400 -0.126 0.000 2.459 655 K HA 0.133 4.454 4.320 0.001 0.000 0.193 655 K C 1.046 177.323 176.600 -0.538 0.000 1.030 655 K CA 1.132 57.283 56.287 -0.226 0.000 1.026 655 K CB 0.229 32.603 32.500 -0.209 0.000 0.809 655 K HN 0.538 nan 8.250 nan 0.000 0.504 656 E N 0.858 120.646 120.200 -0.686 0.000 3.388 656 E HA 0.182 4.533 4.350 0.001 0.000 0.214 656 E C -1.103 174.998 176.600 -0.832 0.000 1.040 656 E CA -0.373 55.145 56.400 -1.469 0.000 1.327 656 E CB 1.185 30.200 29.700 -1.143 0.000 1.243 656 E HN 0.141 nan 8.360 nan 0.000 0.444 657 A N 1.433 123.974 122.820 -0.465 0.000 2.544 657 A HA 0.153 4.473 4.320 0.001 0.000 0.301 657 A C 0.496 178.187 177.584 0.178 0.000 1.368 657 A CA -0.131 51.846 52.037 -0.101 0.000 1.045 657 A CB -0.250 18.539 19.000 -0.351 0.000 1.129 657 A HN 0.090 nan 8.150 nan 0.000 0.540 658 T N 2.660 117.368 114.554 0.257 0.000 2.928 658 T HA 0.404 4.754 4.350 0.001 0.000 0.305 658 T C 0.674 175.408 174.700 0.056 0.000 1.035 658 T CA 1.007 63.252 62.100 0.241 0.000 1.145 658 T CB 0.141 69.085 68.868 0.127 0.000 0.963 658 T HN 1.201 nan 8.240 nan 0.000 0.545 659 S N 2.268 117.948 115.700 -0.033 0.000 2.615 659 S HA 0.645 5.115 4.470 0.001 0.000 0.269 659 S C -1.533 172.939 174.600 -0.213 0.000 1.161 659 S CA -1.114 56.968 58.200 -0.197 0.000 0.817 659 S CB 1.201 64.159 63.200 -0.404 0.000 1.131 659 S HN 0.410 nan 8.310 nan 0.000 0.467 660 I N 2.053 122.476 120.570 -0.246 0.000 2.339 660 I HA 0.327 4.498 4.170 0.001 0.000 0.290 660 I C -0.508 175.490 176.117 -0.198 0.000 0.994 660 I CA -0.746 60.427 61.300 -0.212 0.000 1.191 660 I CB 1.177 39.074 38.000 -0.171 0.000 1.343 660 I HN 0.664 nan 8.210 nan 0.000 0.458 661 L N 7.087 128.208 121.223 -0.171 0.000 2.363 661 L HA 0.296 4.637 4.340 0.001 0.000 0.286 661 L C 0.089 176.912 176.870 -0.080 0.000 1.106 661 L CA -0.151 54.616 54.840 -0.121 0.000 0.859 661 L CB -0.085 41.919 42.059 -0.093 0.000 1.223 661 L HN 0.337 nan 8.230 nan 0.000 0.446 662 L N 6.208 127.409 121.223 -0.036 0.000 2.350 662 L HA 0.329 4.669 4.340 0.001 0.000 0.275 662 L C -1.708 175.170 176.870 0.013 0.000 1.099 662 L CA -1.675 53.175 54.840 0.016 0.000 0.808 662 L CB 1.310 43.423 42.059 0.091 0.000 1.149 662 L HN 0.350 nan 8.230 nan 0.000 0.442 663 P HA 0.088 nan 4.420 nan 0.000 0.225 663 P C -0.316 176.978 177.300 -0.009 0.000 1.813 663 P CA -0.148 62.930 63.100 -0.037 0.000 1.013 663 P CB 0.107 31.758 31.700 -0.082 0.000 1.961 664 V N 3.065 122.983 119.914 0.008 0.000 2.572 664 V HA 0.107 4.227 4.120 0.001 0.000 0.291 664 V C 1.076 177.153 176.094 -0.028 0.000 1.039 664 V CA 0.116 62.420 62.300 0.006 0.000 1.055 664 V CB 1.145 32.949 31.823 -0.031 0.000 0.969 664 V HN 0.298 nan 8.190 nan 0.000 0.482 665 V N 2.604 122.510 119.914 -0.015 0.000 2.914 665 V HA 0.693 4.813 4.120 0.001 0.000 0.314 665 V C -0.371 175.717 176.094 -0.010 0.000 1.084 665 V CA -1.231 61.057 62.300 -0.020 0.000 0.963 665 V CB 1.841 33.655 31.823 -0.015 0.000 1.025 665 V HN 0.739 nan 8.190 nan 0.000 0.432 666 K N 0.000 120.394 120.400 -0.009 0.000 2.780 666 K HA 0.000 4.320 4.320 0.001 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543