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_B 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 4.259 124.671 120.400 0.019 0.000 2.358 51 D HA 0.149 4.789 4.640 -0.000 0.000 0.258 51 D C -1.262 175.024 176.300 -0.023 0.000 1.223 51 D CA -2.038 51.946 54.000 -0.026 0.000 0.886 51 D CB 1.334 42.135 40.800 0.003 0.000 1.120 51 D HN 0.284 nan 8.370 nan 0.000 0.482 52 P HA -0.042 nan 4.420 nan 0.000 0.229 52 P C 1.224 178.520 177.300 -0.006 0.000 1.160 52 P CA 0.505 63.583 63.100 -0.036 0.000 0.777 52 P CB 0.311 31.971 31.700 -0.066 0.000 0.814 53 L N -1.336 119.882 121.223 -0.008 0.000 2.591 53 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 53 L C 1.714 178.588 176.870 0.007 0.000 1.133 53 L CA 0.538 55.377 54.840 -0.001 0.000 0.880 53 L CB -0.242 41.814 42.059 -0.005 0.000 1.033 53 L HN -0.037 nan 8.230 nan 0.000 0.450 54 S N -1.947 113.762 115.700 0.015 0.000 3.171 54 S HA 0.175 4.645 4.470 -0.000 0.000 0.258 54 S C 0.418 175.038 174.600 0.033 0.000 1.083 54 S CA -0.203 58.010 58.200 0.021 0.000 0.801 54 S CB 1.051 64.263 63.200 0.020 0.000 0.831 54 S HN -0.058 nan 8.310 nan 0.000 0.462 55 V N 3.336 123.282 119.914 0.054 0.000 2.347 55 V HA 0.546 4.666 4.120 -0.000 0.000 0.280 55 V C -0.579 175.570 176.094 0.092 0.000 1.021 55 V CA -0.424 61.921 62.300 0.074 0.000 0.847 55 V CB 1.209 33.099 31.823 0.112 0.000 0.990 55 V HN 0.265 nan 8.190 nan 0.000 0.444 56 Q N 3.398 123.234 119.800 0.060 0.000 2.431 56 Q HA 0.342 4.682 4.340 -0.000 0.000 0.249 56 Q C 0.729 176.756 176.000 0.045 0.000 1.025 56 Q CA -0.077 55.760 55.803 0.056 0.000 0.835 56 Q CB 1.405 30.163 28.738 0.034 0.000 1.207 56 Q HN 0.882 nan 8.270 nan 0.000 0.490 57 T N -0.207 114.382 114.554 0.059 0.000 3.086 57 T HA 0.378 4.727 4.350 -0.000 0.000 0.250 57 T C 0.807 175.521 174.700 0.024 0.000 1.074 57 T CA 0.252 62.364 62.100 0.019 0.000 0.988 57 T CB 0.504 69.358 68.868 -0.023 0.000 0.988 57 T HN 0.440 nan 8.240 nan 0.000 0.530 58 G N 0.932 109.754 108.800 0.037 0.000 3.019 58 G HA2 0.546 4.506 3.960 -0.000 0.000 0.152 58 G HA3 0.546 4.506 3.960 -0.000 0.000 0.152 58 G C -0.890 174.022 174.900 0.020 0.000 1.320 58 G CA -0.576 44.541 45.100 0.028 0.000 1.013 58 G HN 0.333 nan 8.290 nan 0.000 0.593 59 S N -0.957 114.753 115.700 0.018 0.000 2.472 59 S HA 0.395 4.865 4.470 -0.000 0.000 0.303 59 S C -0.033 174.575 174.600 0.013 0.000 1.099 59 S CA -0.583 57.625 58.200 0.013 0.000 1.077 59 S CB 1.613 64.820 63.200 0.011 0.000 1.031 59 S HN 0.338 nan 8.310 nan 0.000 0.487 60 D N 2.738 123.145 120.400 0.011 0.000 2.347 60 D HA 0.156 4.796 4.640 -0.000 0.000 0.215 60 D C 0.195 176.500 176.300 0.009 0.000 0.976 60 D CA 0.626 54.632 54.000 0.010 0.000 0.884 60 D CB 0.057 40.862 40.800 0.009 0.000 0.915 60 D HN 0.545 nan 8.370 nan 0.000 0.526 61 I N 3.189 123.764 120.570 0.008 0.000 2.322 61 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 61 I C -1.513 174.609 176.117 0.008 0.000 1.060 61 I CA -1.623 59.681 61.300 0.008 0.000 1.309 61 I CB 0.699 38.704 38.000 0.007 0.000 1.415 61 I HN -0.187 nan 8.210 nan 0.000 0.492 73 R N 2.294 122.731 120.500 -0.106 0.000 2.694 73 R HA 0.021 4.361 4.340 -0.000 0.000 0.268 73 R C 0.193 176.426 176.300 -0.113 0.000 1.061 73 R CA 0.838 56.837 56.100 -0.168 0.000 1.133 73 R CB 0.216 30.231 30.300 -0.476 0.000 1.020 73 R HN 0.157 nan 8.270 nan 0.000 0.475 74 D N 0.955 121.356 120.400 0.001 0.000 2.427 74 D HA 0.029 4.669 4.640 -0.000 0.000 0.224 74 D C -0.555 175.849 176.300 0.172 0.000 1.157 74 D CA -0.130 53.918 54.000 0.080 0.000 0.828 74 D CB -0.166 40.703 40.800 0.116 0.000 0.974 74 D HN 0.497 nan 8.370 nan 0.000 0.498 75 Y N -1.449 118.865 120.300 0.024 0.000 2.689 75 Y HA 0.560 5.110 4.550 -0.000 0.000 0.333 75 Y C -1.377 174.540 175.900 0.028 0.000 1.208 75 Y CA -1.874 56.244 58.100 0.029 0.000 1.055 75 Y CB 0.930 39.412 38.460 0.037 0.000 1.304 75 Y HN -0.047 nan 8.280 nan 0.000 0.455 76 I N 0.066 120.729 120.570 0.155 0.000 2.689 76 I HA 0.716 4.886 4.170 -0.000 0.000 0.299 76 I C -1.538 174.720 176.117 0.235 0.000 1.059 76 I CA -1.107 60.229 61.300 0.060 0.000 1.055 76 I CB 2.448 40.465 38.000 0.027 0.000 1.243 76 I HN 0.779 nan 8.210 nan 0.000 0.425 77 K N 5.151 125.663 120.400 0.187 0.000 2.376 77 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 77 K C -1.173 175.493 176.600 0.111 0.000 0.939 77 K CA -0.693 55.711 56.287 0.196 0.000 0.809 77 K CB 1.908 34.561 32.500 0.255 0.000 1.121 77 K HN 0.755 nan 8.250 nan 0.000 0.425 78 R N 2.611 123.163 120.500 0.086 0.000 2.514 78 R HA 0.276 4.616 4.340 -0.000 0.000 0.301 78 R C -0.886 175.416 176.300 0.002 0.000 0.962 78 R CA -0.730 55.403 56.100 0.056 0.000 0.882 78 R CB 1.879 32.222 30.300 0.072 0.000 1.143 78 R HN 0.582 nan 8.270 nan 0.000 0.452 79 E N 2.162 122.349 120.200 -0.022 0.000 2.155 79 E HA 0.373 4.722 4.350 -0.000 0.000 0.264 79 E C -1.016 175.501 176.600 -0.138 0.000 0.886 79 E CA -0.674 55.640 56.400 -0.143 0.000 0.752 79 E CB 2.193 31.880 29.700 -0.021 0.000 1.133 79 E HN 0.151 nan 8.360 nan 0.000 0.414 80 V N 2.512 122.272 119.914 -0.258 0.000 2.962 80 V HA 0.434 4.554 4.120 -0.000 0.000 0.313 80 V C -0.406 175.508 176.094 -0.300 0.000 1.099 80 V CA -1.077 61.090 62.300 -0.221 0.000 0.971 80 V CB 2.123 33.787 31.823 -0.264 0.000 1.028 80 V HN 0.688 nan 8.190 nan 0.000 0.430 81 M N 2.856 122.327 119.600 -0.216 0.000 2.036 81 M HA 0.404 4.884 4.480 -0.000 0.000 0.337 81 M C -0.758 175.368 176.300 -0.291 0.000 1.012 81 M CA -0.391 54.807 55.300 -0.170 0.000 0.962 81 M CB 0.990 33.566 32.600 -0.040 0.000 1.423 81 M HN 0.402 nan 8.290 nan 0.000 0.405 82 V N 7.022 126.676 119.914 -0.434 0.000 2.455 82 V HA 0.266 4.386 4.120 -0.000 0.000 0.273 82 V C -1.843 174.098 176.094 -0.255 0.000 1.045 82 V CA -1.167 60.766 62.300 -0.612 0.000 0.976 82 V CB 0.736 32.129 31.823 -0.717 0.000 0.993 82 V HN 0.543 nan 8.190 nan 0.000 0.475 83 P HA 0.292 nan 4.420 nan 0.000 0.280 83 P C -0.500 176.817 177.300 0.030 0.000 1.244 83 P CA -0.427 62.662 63.100 -0.018 0.000 0.784 83 P CB 0.965 32.685 31.700 0.033 0.000 0.913 84 M N 2.914 122.541 119.600 0.044 0.000 2.245 84 M HA 0.245 4.725 4.480 -0.000 0.000 0.292 84 M C 2.123 178.470 176.300 0.078 0.000 1.176 84 M CA -0.540 54.806 55.300 0.076 0.000 1.035 84 M CB 0.243 32.886 32.600 0.072 0.000 1.440 84 M HN 0.408 nan 8.290 nan 0.000 0.494 85 R N 0.696 121.245 120.500 0.082 0.000 2.200 85 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 85 R C 0.435 176.759 176.300 0.039 0.000 1.127 85 R CA 1.865 58.000 56.100 0.058 0.000 0.989 85 R CB -0.560 29.759 30.300 0.032 0.000 0.869 85 R HN 0.676 nan 8.270 nan 0.000 0.459 86 D N -0.758 119.666 120.400 0.041 0.000 2.342 86 D HA 0.108 4.748 4.640 -0.000 0.000 0.221 86 D C 1.079 177.401 176.300 0.036 0.000 1.101 86 D CA 0.437 54.458 54.000 0.034 0.000 0.837 86 D CB 0.521 41.342 40.800 0.034 0.000 0.938 86 D HN 0.415 nan 8.370 nan 0.000 0.508 87 G N -0.129 108.695 108.800 0.040 0.000 2.225 87 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.254 87 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.254 87 G C 0.262 175.183 174.900 0.035 0.000 0.988 87 G CA 0.184 45.306 45.100 0.037 0.000 0.625 87 G HN 0.377 nan 8.290 nan 0.000 0.527 88 V N 1.780 121.717 119.914 0.039 0.000 2.637 88 V HA 0.355 4.475 4.120 -0.000 0.000 0.296 88 V C 0.739 176.853 176.094 0.032 0.000 1.046 88 V CA 0.413 62.737 62.300 0.040 0.000 1.066 88 V CB 1.296 33.150 31.823 0.052 0.000 0.968 88 V HN 0.352 nan 8.190 nan 0.000 0.483 89 K N 5.658 126.074 120.400 0.026 0.000 2.182 89 K HA 0.658 4.978 4.320 -0.000 0.000 0.262 89 K C -1.122 175.489 176.600 0.019 0.000 0.957 89 K CA -0.541 55.749 56.287 0.004 0.000 0.842 89 K CB 1.681 34.181 32.500 -0.000 0.000 1.099 89 K HN 0.480 nan 8.250 nan 0.000 0.438 90 L N 3.348 124.566 121.223 -0.008 0.000 2.313 90 L HA 0.327 4.667 4.340 -0.000 0.000 0.283 90 L C -0.465 176.417 176.870 0.021 0.000 1.013 90 L CA -1.193 53.666 54.840 0.031 0.000 0.816 90 L CB 0.688 42.764 42.059 0.027 0.000 1.236 90 L HN 0.586 nan 8.230 nan 0.000 0.419 91 Y N 3.111 123.400 120.300 -0.019 0.000 2.650 91 Y HA 0.095 4.645 4.550 -0.000 0.000 0.331 91 Y C -0.108 175.780 175.900 -0.019 0.000 1.165 91 Y CA 0.468 58.556 58.100 -0.019 0.000 1.473 91 Y CB 0.504 38.974 38.460 0.016 0.000 1.224 91 Y HN 0.511 nan 8.280 nan 0.000 0.533 92 T N 6.201 120.411 114.554 -0.574 0.000 2.886 92 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 92 T C -1.210 173.194 174.700 -0.494 0.000 1.012 92 T CA -0.724 61.139 62.100 -0.395 0.000 0.982 92 T CB 1.365 70.050 68.868 -0.305 0.000 1.018 92 T HN 0.374 nan 8.240 nan 0.000 0.451 93 V N 4.003 123.772 119.914 -0.243 0.000 2.448 93 V HA 0.573 4.692 4.120 -0.000 0.000 0.295 93 V C -0.742 175.359 176.094 0.012 0.000 1.025 93 V CA -0.804 61.428 62.300 -0.113 0.000 0.859 93 V CB 1.312 33.150 31.823 0.026 0.000 0.988 93 V HN 0.758 nan 8.190 nan 0.000 0.431 94 I N 5.109 125.695 120.570 0.027 0.000 2.389 94 I HA 0.472 4.642 4.170 -0.000 0.000 0.288 94 I C -0.327 175.845 176.117 0.093 0.000 0.999 94 I CA -0.428 60.910 61.300 0.063 0.000 1.129 94 I CB 2.008 40.054 38.000 0.077 0.000 1.288 94 I HN 0.275 nan 8.210 nan 0.000 0.444 95 V N 7.432 127.404 119.914 0.097 0.000 2.334 95 V HA 0.478 4.598 4.120 -0.000 0.000 0.281 95 V C -0.002 176.157 176.094 0.107 0.000 1.016 95 V CA -0.401 61.966 62.300 0.111 0.000 0.832 95 V CB 1.057 32.905 31.823 0.042 0.000 0.999 95 V HN 0.483 nan 8.190 nan 0.000 0.439 96 I N 7.296 127.951 120.570 0.142 0.000 2.378 96 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 96 I C -2.417 173.787 176.117 0.145 0.000 0.992 96 I CA -2.281 59.087 61.300 0.113 0.000 1.154 96 I CB 2.483 40.534 38.000 0.084 0.000 1.315 96 I HN 0.383 nan 8.210 nan 0.000 0.448 97 P HA 0.087 nan 4.420 nan 0.000 0.268 97 P C -0.683 176.672 177.300 0.091 0.000 1.205 97 P CA -0.349 62.824 63.100 0.123 0.000 0.771 97 P CB 0.495 32.247 31.700 0.088 0.000 0.858 98 K N 2.258 122.709 120.400 0.085 0.000 2.469 98 K HA -0.029 4.291 4.320 -0.000 0.000 0.274 98 K C 0.528 177.146 176.600 0.030 0.000 0.983 98 K CA 0.512 56.825 56.287 0.044 0.000 0.974 98 K CB -0.474 32.040 32.500 0.024 0.000 0.913 98 K HN 0.432 nan 8.250 nan 0.000 0.493 99 N N -0.452 118.258 118.700 0.016 0.000 2.708 99 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 99 N C -1.166 174.348 175.510 0.006 0.000 1.097 99 N CA 0.626 53.681 53.050 0.008 0.000 0.710 99 N CB -0.692 37.798 38.487 0.006 0.000 1.032 99 N HN 0.612 nan 8.380 nan 0.000 0.551 100 A N 0.619 123.445 122.820 0.010 0.000 2.401 100 A HA 0.615 4.935 4.320 -0.000 0.000 0.259 100 A C 0.585 178.160 177.584 -0.014 0.000 1.103 100 A CA 0.126 52.164 52.037 0.001 0.000 0.789 100 A CB 0.649 19.655 19.000 0.011 0.000 1.035 100 A HN 0.363 nan 8.150 nan 0.000 0.491 101 R N 1.670 122.154 120.500 -0.027 0.000 2.515 101 R HA 0.358 4.698 4.340 -0.000 0.000 0.278 101 R C -0.701 175.568 176.300 -0.052 0.000 1.107 101 R CA -0.304 55.774 56.100 -0.036 0.000 0.945 101 R CB 0.661 30.943 30.300 -0.030 0.000 1.219 101 R HN 0.989 nan 8.270 nan 0.000 0.434 102 N N 0.636 119.297 118.700 -0.064 0.000 2.776 102 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 102 N C -0.992 174.454 175.510 -0.107 0.000 1.111 102 N CA 0.822 53.823 53.050 -0.081 0.000 0.711 102 N CB -0.683 37.760 38.487 -0.073 0.000 1.065 102 N HN 0.601 nan 8.380 nan 0.000 0.556 103 A N 0.328 123.082 122.820 -0.110 0.000 2.354 103 A HA 0.585 4.905 4.320 -0.000 0.000 0.269 103 A C -1.843 175.620 177.584 -0.202 0.000 1.109 103 A CA -1.108 50.834 52.037 -0.158 0.000 0.800 103 A CB 0.583 19.516 19.000 -0.111 0.000 1.045 103 A HN 0.071 nan 8.150 nan 0.000 0.489 104 P HA 0.335 nan 4.420 nan 0.000 0.274 104 P C -0.737 176.453 177.300 -0.185 0.000 1.246 104 P CA 0.021 62.934 63.100 -0.312 0.000 0.795 104 P CB 0.677 32.068 31.700 -0.514 0.000 1.006 105 I N 1.171 121.694 120.570 -0.079 0.000 2.377 105 I HA 0.292 4.462 4.170 -0.000 0.000 0.293 105 I C 0.070 176.208 176.117 0.034 0.000 0.987 105 I CA -0.964 60.327 61.300 -0.015 0.000 1.185 105 I CB 1.516 39.487 38.000 -0.048 0.000 1.341 105 I HN 0.153 nan 8.210 nan 0.000 0.455 106 L N 7.609 128.844 121.223 0.019 0.000 2.287 106 L HA 0.586 4.926 4.340 -0.000 0.000 0.287 106 L C -1.157 175.610 176.870 -0.172 0.000 1.022 106 L CA -0.375 54.408 54.840 -0.095 0.000 0.814 106 L CB 1.424 43.288 42.059 -0.325 0.000 1.217 106 L HN 0.486 nan 8.230 nan 0.000 0.420 107 L N 4.454 125.587 121.223 -0.149 0.000 2.362 107 L HA 0.814 5.154 4.340 -0.000 0.000 0.271 107 L C -0.762 175.997 176.870 -0.186 0.000 1.002 107 L CA 0.291 55.024 54.840 -0.178 0.000 0.818 107 L CB 2.387 44.388 42.059 -0.097 0.000 1.298 107 L HN 0.656 nan 8.230 nan 0.000 0.420 108 T N 4.302 118.703 114.554 -0.255 0.000 2.921 108 T HA 0.573 4.923 4.350 -0.000 0.000 0.297 108 T C -0.864 173.838 174.700 0.004 0.000 1.013 108 T CA -0.623 61.395 62.100 -0.137 0.000 0.990 108 T CB 1.385 70.117 68.868 -0.227 0.000 1.023 108 T HN 0.553 nan 8.240 nan 0.000 0.447 109 R N 1.476 122.038 120.500 0.104 0.000 2.445 109 R HA 0.781 5.121 4.340 -0.000 0.000 0.308 109 R C -0.431 176.004 176.300 0.223 0.000 0.961 109 R CA -0.827 55.366 56.100 0.155 0.000 0.862 109 R CB 1.965 32.352 30.300 0.145 0.000 1.144 109 R HN 0.552 nan 8.270 nan 0.000 0.447 110 T N 1.679 116.357 114.554 0.206 0.000 2.900 110 T HA 0.438 4.788 4.350 -0.000 0.000 0.303 110 T C -2.407 172.278 174.700 -0.025 0.000 1.142 110 T CA -1.972 60.215 62.100 0.145 0.000 1.007 110 T CB 1.929 70.937 68.868 0.233 0.000 1.156 110 T HN 0.363 nan 8.240 nan 0.000 0.490 111 P HA 0.261 nan 4.420 nan 0.000 0.266 111 P C -0.461 176.619 177.300 -0.368 0.000 1.381 111 P CA -0.054 62.754 63.100 -0.488 0.000 0.940 111 P CB -0.121 30.980 31.700 -0.998 0.000 1.435 112 Y N 0.476 120.798 120.300 0.036 0.000 2.774 112 Y HA 0.316 4.866 4.550 -0.000 0.000 0.305 112 Y C 0.506 176.228 175.900 -0.297 0.000 1.067 112 Y CA -1.410 56.678 58.100 -0.019 0.000 1.304 112 Y CB -1.145 37.337 38.460 0.036 0.000 1.209 112 Y HN 0.072 nan 8.280 nan 0.000 0.543 113 N N 0.380 118.785 118.700 -0.492 0.000 2.411 113 N HA -0.212 4.528 4.740 -0.000 0.000 0.286 113 N C 0.880 176.203 175.510 -0.311 0.000 1.382 113 N CA 0.229 52.772 53.050 -0.846 0.000 0.630 113 N CB -0.207 37.490 38.487 -1.317 0.000 0.904 113 N HN 0.512 nan 8.380 nan 0.000 0.516 114 A N 3.612 126.379 122.820 -0.088 0.000 1.978 114 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 114 A C 1.977 179.565 177.584 0.006 0.000 1.170 114 A CA 1.918 53.984 52.037 0.047 0.000 0.636 114 A CB -0.253 18.900 19.000 0.254 0.000 0.810 114 A HN 0.771 nan 8.150 nan 0.000 0.448 115 K N -0.780 119.647 120.400 0.046 0.000 2.057 115 K HA -0.105 4.214 4.320 -0.000 0.000 0.207 115 K C 2.027 178.583 176.600 -0.074 0.000 1.049 115 K CA 1.400 57.721 56.287 0.057 0.000 0.931 115 K CB -0.481 32.023 32.500 0.006 0.000 0.714 115 K HN 0.397 nan 8.250 nan 0.000 0.440 116 G N 0.850 109.556 108.800 -0.155 0.000 2.403 116 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 116 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 116 G C 1.423 176.192 174.900 -0.218 0.000 1.154 116 G CA 0.071 45.073 45.100 -0.163 0.000 0.784 116 G HN 0.159 nan 8.290 nan 0.000 0.538 117 R N 0.927 121.233 120.500 -0.325 0.000 2.096 117 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 117 R C 2.283 178.150 176.300 -0.721 0.000 1.127 117 R CA 1.123 56.881 56.100 -0.571 0.000 0.968 117 R CB -0.740 29.067 30.300 -0.822 0.000 0.861 117 R HN 0.340 nan 8.270 nan 0.000 0.440 118 A N 0.776 123.279 122.820 -0.529 0.000 2.462 118 A HA 0.130 4.449 4.320 -0.000 0.000 0.261 118 A C 0.114 177.614 177.584 -0.141 0.000 1.323 118 A CA -0.144 51.722 52.037 -0.284 0.000 0.913 118 A CB -0.016 18.938 19.000 -0.077 0.000 1.028 118 A HN 0.069 nan 8.150 nan 0.000 0.511 119 N N 0.037 118.653 118.700 -0.141 0.000 2.664 119 N HA 0.115 4.855 4.740 -0.000 0.000 0.287 119 N C 0.991 176.460 175.510 -0.069 0.000 1.869 119 N CA -0.295 52.711 53.050 -0.073 0.000 0.832 119 N CB 0.287 38.749 38.487 -0.042 0.000 1.293 119 N HN 0.379 nan 8.380 nan 0.000 0.498 120 R N -0.240 120.215 120.500 -0.075 0.000 2.080 120 R HA 0.021 4.361 4.340 -0.000 0.000 0.236 120 R C -0.225 176.061 176.300 -0.023 0.000 1.137 120 R CA 1.335 57.407 56.100 -0.046 0.000 0.943 120 R CB 0.005 30.283 30.300 -0.037 0.000 0.846 120 R HN 0.016 nan 8.270 nan 0.000 0.431 121 V N 4.637 124.541 119.914 -0.016 0.000 2.311 121 V HA 0.247 4.367 4.120 -0.000 0.000 0.275 121 V C -2.235 173.865 176.094 0.010 0.000 1.022 121 V CA -1.872 60.429 62.300 0.002 0.000 0.830 121 V CB 1.433 33.263 31.823 0.012 0.000 1.012 121 V HN 0.248 nan 8.190 nan 0.000 0.452 122 P HA 0.009 nan 4.420 nan 0.000 0.260 122 P C 0.240 177.568 177.300 0.047 0.000 1.185 122 P CA 0.541 63.653 63.100 0.021 0.000 0.763 122 P CB -0.125 31.583 31.700 0.014 0.000 0.776 123 N N -0.337 118.408 118.700 0.076 0.000 2.721 123 N HA -0.198 4.541 4.740 -0.000 0.000 0.249 123 N C 0.201 175.792 175.510 0.135 0.000 1.072 123 N CA 0.358 53.477 53.050 0.116 0.000 0.710 123 N CB -1.346 37.184 38.487 0.073 0.000 0.993 123 N HN 0.619 nan 8.380 nan 0.000 0.547 124 A N -0.076 122.835 122.820 0.151 0.000 2.448 124 A HA 0.271 4.590 4.320 -0.000 0.000 0.239 124 A C 1.375 179.097 177.584 0.231 0.000 1.080 124 A CA -0.029 52.095 52.037 0.145 0.000 0.779 124 A CB 0.295 19.356 19.000 0.102 0.000 1.026 124 A HN 0.364 nan 8.150 nan 0.000 0.499 125 L N 0.400 121.716 121.223 0.155 0.000 2.418 125 L HA 0.055 4.395 4.340 -0.000 0.000 0.218 125 L C 1.265 178.264 176.870 0.215 0.000 1.125 125 L CA 1.144 56.065 54.840 0.134 0.000 0.835 125 L CB -0.712 41.386 42.059 0.064 0.000 0.953 125 L HN 0.902 nan 8.230 nan 0.000 0.454 126 T N -4.567 110.126 114.554 0.231 0.000 2.887 126 T HA 0.290 4.640 4.350 -0.000 0.000 0.288 126 T C 0.594 175.375 174.700 0.136 0.000 1.021 126 T CA -0.694 61.530 62.100 0.207 0.000 1.000 126 T CB 2.361 71.290 68.868 0.101 0.000 1.034 126 T HN -0.017 nan 8.240 nan 0.000 0.467 127 M N 0.710 120.361 119.600 0.084 0.000 2.229 127 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 127 M C 2.336 178.567 176.300 -0.116 0.000 1.063 127 M CA 1.362 56.550 55.300 -0.187 0.000 1.114 127 M CB -0.193 32.373 32.600 -0.057 0.000 1.387 127 M HN 0.745 nan 8.290 nan 0.000 0.420 128 R N 0.653 121.136 120.500 -0.028 0.000 2.096 128 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 128 R C 1.597 177.882 176.300 -0.026 0.000 1.127 128 R CA 2.078 58.167 56.100 -0.018 0.000 0.968 128 R CB -0.327 29.974 30.300 0.002 0.000 0.861 128 R HN 0.509 nan 8.270 nan 0.000 0.440 129 E N -0.967 119.222 120.200 -0.018 0.000 2.112 129 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 129 E C 1.842 178.419 176.600 -0.040 0.000 0.979 129 E CA 1.092 57.485 56.400 -0.012 0.000 0.814 129 E CB -0.012 29.699 29.700 0.017 0.000 0.762 129 E HN 0.127 nan 8.360 nan 0.000 0.460 130 V N 1.091 120.946 119.914 -0.100 0.000 2.591 130 V HA -0.032 4.088 4.120 -0.000 0.000 0.249 130 V C 0.835 176.856 176.094 -0.122 0.000 1.053 130 V CA 0.762 62.979 62.300 -0.138 0.000 1.068 130 V CB 0.042 31.678 31.823 -0.311 0.000 0.689 130 V HN 0.065 nan 8.190 nan 0.000 0.462 131 L N 0.820 121.981 121.223 -0.103 0.000 2.399 131 L HA 0.402 4.741 4.340 -0.000 0.000 0.265 131 L C -2.112 174.749 176.870 -0.015 0.000 1.089 131 L CA -1.960 52.859 54.840 -0.035 0.000 0.802 131 L CB 0.675 42.740 42.059 0.011 0.000 1.180 131 L HN 0.029 nan 8.230 nan 0.000 0.454 132 P HA -0.054 nan 4.420 nan 0.000 0.270 132 P C 0.024 177.316 177.300 -0.013 0.000 1.227 132 P CA -0.180 62.920 63.100 0.000 0.000 0.788 132 P CB 0.455 32.165 31.700 0.015 0.000 0.926 133 Q N 1.006 120.786 119.800 -0.034 0.000 2.135 133 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 133 Q C 1.953 177.904 176.000 -0.080 0.000 0.981 133 Q CA 2.159 57.935 55.803 -0.045 0.000 0.856 133 Q CB -0.982 27.750 28.738 -0.011 0.000 0.902 133 Q HN 0.683 nan 8.270 nan 0.000 0.425 134 G N -0.046 108.666 108.800 -0.147 0.000 2.509 134 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 134 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 134 G C 0.582 175.477 174.900 -0.009 0.000 1.124 134 G CA 0.767 45.802 45.100 -0.107 0.000 0.776 134 G HN 0.365 nan 8.290 nan 0.000 0.547 135 D N 0.901 121.310 120.400 0.014 0.000 2.340 135 D HA 0.021 4.661 4.640 -0.000 0.000 0.220 135 D C 2.004 178.321 176.300 0.028 0.000 1.039 135 D CA 0.502 54.542 54.000 0.067 0.000 0.866 135 D CB 0.063 40.905 40.800 0.070 0.000 0.913 135 D HN 0.412 nan 8.370 nan 0.000 0.523 136 D N 0.954 121.341 120.400 -0.021 0.000 2.126 136 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 136 D C 2.054 178.293 176.300 -0.103 0.000 1.001 136 D CA 1.877 55.854 54.000 -0.037 0.000 0.841 136 D CB -0.914 39.880 40.800 -0.009 0.000 0.949 136 D HN 0.281 nan 8.370 nan 0.000 0.446 137 V N -2.410 117.355 119.914 -0.248 0.000 2.626 137 V HA -0.097 4.023 4.120 -0.000 0.000 0.252 137 V C 2.396 178.134 176.094 -0.594 0.000 1.067 137 V CA 1.157 63.181 62.300 -0.460 0.000 1.081 137 V CB -1.239 30.157 31.823 -0.711 0.000 0.686 137 V HN -0.007 nan 8.190 nan 0.000 0.468 138 F N 0.397 120.140 119.950 -0.345 0.000 2.293 138 F HA 0.133 4.660 4.527 -0.000 0.000 0.297 138 F C 2.393 178.127 175.800 -0.110 0.000 1.089 138 F CA 1.237 58.994 58.000 -0.405 0.000 1.377 138 F CB -0.669 37.959 39.000 -0.620 0.000 1.051 138 F HN -0.017 nan 8.300 nan 0.000 0.511 139 V N 0.061 120.012 119.914 0.062 0.000 2.427 139 V HA -0.249 3.870 4.120 -0.000 0.000 0.248 139 V C 2.009 178.135 176.094 0.052 0.000 1.051 139 V CA 1.876 64.215 62.300 0.065 0.000 1.048 139 V CB -0.590 31.249 31.823 0.027 0.000 0.666 139 V HN 0.318 nan 8.190 nan 0.000 0.456 140 E N 0.367 120.568 120.200 0.002 0.000 2.204 140 E HA -0.086 4.263 4.350 -0.000 0.000 0.194 140 E C 2.145 178.758 176.600 0.021 0.000 0.989 140 E CA 0.995 57.392 56.400 -0.004 0.000 0.824 140 E CB -0.294 29.380 29.700 -0.043 0.000 0.756 140 E HN 0.634 nan 8.360 nan 0.000 0.477 141 G N -0.141 108.693 108.800 0.056 0.000 2.985 141 G HA2 0.162 4.122 3.960 -0.000 0.000 0.209 141 G HA3 0.162 4.122 3.960 -0.000 0.000 0.209 141 G C 0.991 176.032 174.900 0.234 0.000 1.165 141 G CA 0.146 45.344 45.100 0.164 0.000 0.776 141 G HN 0.354 nan 8.290 nan 0.000 0.541 142 G N -1.104 107.812 108.800 0.194 0.000 2.160 142 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 142 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 142 G C 0.078 175.062 174.900 0.140 0.000 1.022 142 G CA -0.019 45.157 45.100 0.127 0.000 0.741 142 G HN 0.360 nan 8.290 nan 0.000 0.508 143 Y N -0.504 119.833 120.300 0.060 0.000 2.326 143 Y HA 0.588 5.138 4.550 -0.000 0.000 0.333 143 Y C 1.497 177.408 175.900 0.020 0.000 1.240 143 Y CA -0.727 57.403 58.100 0.050 0.000 1.365 143 Y CB 0.597 39.110 38.460 0.089 0.000 1.289 143 Y HN 0.179 nan 8.280 nan 0.000 0.548 144 I N 2.932 123.574 120.570 0.120 0.000 2.472 144 I HA 0.297 4.466 4.170 -0.000 0.000 0.290 144 I C -0.124 176.029 176.117 0.060 0.000 1.016 144 I CA -0.600 60.743 61.300 0.071 0.000 1.348 144 I CB 1.066 39.080 38.000 0.024 0.000 1.417 144 I HN 0.391 nan 8.210 nan 0.000 0.521 145 R N 4.895 125.417 120.500 0.036 0.000 2.494 145 R HA 0.666 5.006 4.340 -0.000 0.000 0.305 145 R C -1.722 174.558 176.300 -0.033 0.000 0.959 145 R CA -0.485 55.598 56.100 -0.028 0.000 0.864 145 R CB 1.468 31.777 30.300 0.014 0.000 1.159 145 R HN 0.402 nan 8.270 nan 0.000 0.446 146 V N 5.316 125.141 119.914 -0.148 0.000 2.604 146 V HA 0.581 4.701 4.120 -0.000 0.000 0.305 146 V C -0.988 174.939 176.094 -0.278 0.000 1.043 146 V CA -0.618 61.620 62.300 -0.103 0.000 0.888 146 V CB 1.639 33.424 31.823 -0.064 0.000 0.995 146 V HN 0.621 nan 8.190 nan 0.000 0.429 147 F N 2.757 122.705 119.950 -0.004 0.000 2.529 147 F HA 0.642 5.169 4.527 -0.000 0.000 0.320 147 F C -0.001 175.805 175.800 0.010 0.000 1.118 147 F CA -0.323 57.687 58.000 0.016 0.000 0.915 147 F CB 2.069 41.085 39.000 0.027 0.000 1.161 147 F HN 0.418 nan 8.300 nan 0.000 0.445 148 Q N 2.547 122.468 119.800 0.201 0.000 2.347 148 Q HA 0.305 4.645 4.340 -0.000 0.000 0.271 148 Q C -1.780 174.326 176.000 0.176 0.000 1.064 148 Q CA -0.947 54.935 55.803 0.132 0.000 0.800 148 Q CB 2.035 30.810 28.738 0.061 0.000 1.304 148 Q HN 0.485 nan 8.270 nan 0.000 0.438 149 D N 4.011 124.529 120.400 0.197 0.000 2.312 149 D HA 0.213 4.853 4.640 -0.000 0.000 0.252 149 D C 0.405 176.799 176.300 0.156 0.000 1.150 149 D CA -0.018 54.096 54.000 0.190 0.000 0.870 149 D CB 0.597 41.538 40.800 0.235 0.000 1.153 149 D HN 0.546 nan 8.370 nan 0.000 0.457 150 I N -0.928 119.731 120.570 0.148 0.000 3.060 150 I HA 0.208 4.378 4.170 -0.000 0.000 0.285 150 I C 0.833 177.053 176.117 0.171 0.000 1.190 150 I CA -0.865 60.541 61.300 0.178 0.000 1.363 150 I CB 0.671 38.821 38.000 0.250 0.000 1.396 150 I HN 0.152 nan 8.210 nan 0.000 0.607 151 R N 2.756 123.371 120.500 0.192 0.000 2.504 151 R HA 0.119 4.459 4.340 -0.000 0.000 0.291 151 R C 0.988 177.422 176.300 0.222 0.000 0.974 151 R CA 1.294 57.501 56.100 0.177 0.000 1.077 151 R CB -0.214 30.190 30.300 0.173 0.000 0.926 151 R HN 1.157 nan 8.270 nan 0.000 0.407 152 G N 2.903 111.794 108.800 0.150 0.000 2.176 152 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.253 152 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.253 152 G C -0.446 174.442 174.900 -0.021 0.000 0.979 152 G CA 0.224 45.404 45.100 0.134 0.000 0.641 152 G HN 0.524 nan 8.290 nan 0.000 0.530 153 K N -0.807 119.559 120.400 -0.057 0.000 2.371 153 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 153 K C 0.874 177.463 176.600 -0.019 0.000 0.934 153 K CA -0.800 55.378 56.287 -0.182 0.000 0.798 153 K CB 1.576 33.945 32.500 -0.218 0.000 1.204 153 K HN 0.165 nan 8.250 nan 0.000 0.427 154 Y N 0.276 120.501 120.300 -0.125 0.000 2.775 154 Y HA -0.453 4.097 4.550 -0.000 0.000 0.474 154 Y C 1.783 177.603 175.900 -0.134 0.000 1.110 154 Y CA 2.171 60.197 58.100 -0.123 0.000 2.835 154 Y CB -1.446 36.939 38.460 -0.124 0.000 1.133 154 Y HN 0.802 nan 8.280 nan 0.000 0.613 155 G N -0.153 108.652 108.800 0.008 0.000 2.985 155 G HA2 0.246 4.206 3.960 -0.000 0.000 0.209 155 G HA3 0.246 4.206 3.960 -0.000 0.000 0.209 155 G C 0.081 175.017 174.900 0.060 0.000 1.165 155 G CA 0.714 45.745 45.100 -0.114 0.000 0.776 155 G HN 0.280 nan 8.290 nan 0.000 0.541 156 S N 0.217 115.975 115.700 0.097 0.000 2.616 156 S HA 0.401 4.871 4.470 -0.000 0.000 0.277 156 S C 0.248 174.884 174.600 0.060 0.000 1.234 156 S CA -0.553 57.708 58.200 0.102 0.000 1.028 156 S CB 1.661 64.932 63.200 0.118 0.000 0.988 156 S HN 0.428 nan 8.310 nan 0.000 0.522 157 Q N 0.381 120.216 119.800 0.059 0.000 2.189 157 Q HA 0.639 4.979 4.340 -0.000 0.000 0.193 157 Q C 0.676 176.712 176.000 0.059 0.000 1.034 157 Q CA -0.242 55.589 55.803 0.046 0.000 1.062 157 Q CB 0.363 29.126 28.738 0.041 0.000 1.118 157 Q HN 0.975 nan 8.270 nan 0.000 0.569 158 G N 0.365 109.198 108.800 0.055 0.000 2.710 158 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.668 158 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.668 158 G C -1.548 173.399 174.900 0.078 0.000 1.320 158 G CA -0.777 44.363 45.100 0.068 0.000 0.860 158 G HN 0.539 nan 8.290 nan 0.000 0.538 159 D N -0.313 120.138 120.400 0.086 0.000 2.210 159 D HA 0.484 5.123 4.640 -0.000 0.000 0.249 159 D C -0.292 176.098 176.300 0.151 0.000 1.078 159 D CA 0.110 54.167 54.000 0.095 0.000 0.875 159 D CB 1.308 42.147 40.800 0.064 0.000 1.175 159 D HN 0.501 nan 8.370 nan 0.000 0.440 160 Y N 1.935 122.255 120.300 0.033 0.000 2.341 160 Y HA 0.412 4.962 4.550 -0.000 0.000 0.340 160 Y C -0.956 174.982 175.900 0.064 0.000 0.997 160 Y CA -0.501 57.626 58.100 0.046 0.000 1.149 160 Y CB 0.767 39.234 38.460 0.011 0.000 1.171 160 Y HN 0.052 nan 8.280 nan 0.000 0.494 161 V N 8.080 127.640 119.914 -0.590 0.000 2.487 161 V HA 0.207 4.327 4.120 -0.000 0.000 0.298 161 V C -0.116 175.520 176.094 -0.763 0.000 1.028 161 V CA -1.039 60.975 62.300 -0.477 0.000 0.860 161 V CB 1.424 33.170 31.823 -0.128 0.000 0.991 161 V HN 0.881 nan 8.190 nan 0.000 0.427 162 M N 5.582 124.802 119.600 -0.634 0.000 2.303 162 M HA 0.207 4.687 4.480 -0.000 0.000 0.350 162 M C 0.867 177.059 176.300 -0.180 0.000 1.518 162 M CA 0.781 55.805 55.300 -0.460 0.000 1.070 162 M CB -0.401 31.665 32.600 -0.890 0.000 1.910 162 M HN 1.147 nan 8.290 nan 0.000 0.458 163 T N 2.527 117.046 114.554 -0.058 0.000 3.433 163 T HA -0.251 4.099 4.350 -0.000 0.000 0.412 163 T C 0.092 174.838 174.700 0.077 0.000 0.768 163 T CA 0.922 62.828 62.100 -0.323 0.000 2.077 163 T CB -1.573 67.054 68.868 -0.403 0.000 1.700 163 T HN 0.971 nan 8.240 nan 0.000 0.666 164 R N 2.051 122.678 120.500 0.211 0.000 2.488 164 R HA 0.163 4.503 4.340 -0.000 0.000 0.317 164 R C -1.957 174.498 176.300 0.258 0.000 0.941 164 R CA -1.100 55.120 56.100 0.198 0.000 1.076 164 R CB 0.212 30.628 30.300 0.193 0.000 0.917 164 R HN 0.364 nan 8.270 nan 0.000 0.407 165 P HA 0.071 nan 4.420 nan 0.000 0.270 165 P C -2.470 174.898 177.300 0.114 0.000 1.223 165 P CA -1.077 62.092 63.100 0.115 0.000 0.785 165 P CB 0.203 31.906 31.700 0.004 0.000 0.923 166 P HA 0.051 nan 4.420 nan 0.000 0.274 166 P C -0.371 176.985 177.300 0.093 0.000 1.256 166 P CA -0.072 63.088 63.100 0.099 0.000 0.795 166 P CB 0.133 31.886 31.700 0.087 0.000 1.038 167 H N -0.331 118.756 119.070 0.028 0.000 3.094 167 H HA 0.371 4.927 4.556 -0.000 0.000 0.320 167 H C 0.752 176.086 175.328 0.011 0.000 1.000 167 H CA 2.293 58.352 56.048 0.017 0.000 1.413 167 H CB -0.528 29.240 29.762 0.010 0.000 1.405 167 H HN 0.782 nan 8.280 nan 0.000 0.586 168 G N 3.800 112.342 108.800 -0.430 0.000 2.368 168 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.269 168 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.269 168 G C -2.130 172.631 174.900 -0.232 0.000 1.291 168 G CA -0.365 44.559 45.100 -0.292 0.000 0.903 168 G HN 0.449 nan 8.290 nan 0.000 0.483 169 P HA 0.034 nan 4.420 nan 0.000 0.221 169 P C 1.610 178.858 177.300 -0.086 0.000 1.145 169 P CA 0.972 64.008 63.100 -0.106 0.000 0.795 169 P CB 0.137 31.786 31.700 -0.084 0.000 0.775 170 L N -1.978 119.192 121.223 -0.089 0.000 2.585 170 L HA 0.198 4.538 4.340 -0.000 0.000 0.226 170 L C 0.748 177.597 176.870 -0.035 0.000 1.113 170 L CA 0.189 54.993 54.840 -0.060 0.000 0.876 170 L CB -0.342 41.653 42.059 -0.106 0.000 1.072 170 L HN -0.026 nan 8.230 nan 0.000 0.468 171 N N 0.297 118.962 118.700 -0.058 0.000 2.701 171 N HA 0.172 4.911 4.740 -0.000 0.000 0.258 171 N C -2.448 173.023 175.510 -0.064 0.000 1.262 171 N CA -1.299 51.739 53.050 -0.019 0.000 0.780 171 N CB 1.472 39.978 38.487 0.031 0.000 1.380 171 N HN -0.244 nan 8.380 nan 0.000 0.548 172 P HA 0.105 nan 4.420 nan 0.000 0.256 172 P C 0.244 177.603 177.300 0.099 0.000 1.384 172 P CA 0.096 63.176 63.100 -0.034 0.000 0.879 172 P CB -0.188 31.497 31.700 -0.025 0.000 1.403 173 T N -2.513 112.118 114.554 0.129 0.000 2.770 173 T HA 0.244 4.594 4.350 -0.000 0.000 0.281 173 T C 1.182 175.979 174.700 0.163 0.000 0.981 173 T CA -0.432 61.741 62.100 0.123 0.000 0.955 173 T CB 0.990 69.911 68.868 0.087 0.000 1.060 173 T HN -0.194 nan 8.240 nan 0.000 0.531 174 K N 0.560 121.001 120.400 0.069 0.000 2.426 174 K HA 0.132 4.452 4.320 -0.000 0.000 0.193 174 K C 1.000 177.590 176.600 -0.017 0.000 1.028 174 K CA 0.308 56.589 56.287 -0.011 0.000 1.047 174 K CB -0.039 32.448 32.500 -0.022 0.000 0.821 174 K HN 0.906 nan 8.250 nan 0.000 0.513 175 T N -0.494 114.085 114.554 0.042 0.000 2.916 175 T HA 0.538 4.888 4.350 -0.000 0.000 0.292 175 T C -0.822 173.930 174.700 0.087 0.000 1.055 175 T CA -0.869 61.262 62.100 0.050 0.000 1.009 175 T CB 2.668 71.571 68.868 0.059 0.000 1.118 175 T HN 0.051 nan 8.240 nan 0.000 0.497 176 D N -0.356 120.099 120.400 0.091 0.000 2.838 176 D HA 0.258 4.898 4.640 -0.000 0.000 0.334 176 D C 0.575 176.946 176.300 0.118 0.000 1.315 176 D CA -0.661 53.407 54.000 0.113 0.000 0.917 176 D CB 0.111 40.981 40.800 0.118 0.000 1.435 176 D HN 0.369 nan 8.370 nan 0.000 0.517 177 E N -0.432 119.842 120.200 0.124 0.000 2.204 177 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 177 E C 1.535 178.186 176.600 0.086 0.000 0.990 177 E CA 1.421 57.889 56.400 0.113 0.000 0.821 177 E CB -0.416 29.330 29.700 0.077 0.000 0.750 177 E HN 0.585 nan 8.360 nan 0.000 0.477 178 T N 0.571 115.172 114.554 0.078 0.000 2.812 178 T HA -0.114 4.236 4.350 -0.000 0.000 0.264 178 T C 2.142 176.938 174.700 0.159 0.000 1.042 178 T CA 1.966 64.126 62.100 0.100 0.000 1.140 178 T CB -0.368 68.551 68.868 0.084 0.000 0.870 178 T HN 0.409 nan 8.240 nan 0.000 0.445 179 T N 0.576 115.204 114.554 0.124 0.000 2.904 179 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 179 T C 1.531 176.349 174.700 0.197 0.000 1.059 179 T CA 1.026 63.208 62.100 0.136 0.000 1.137 179 T CB -0.411 68.479 68.868 0.037 0.000 0.879 179 T HN 0.115 nan 8.240 nan 0.000 0.467 180 D N 2.040 122.534 120.400 0.157 0.000 2.144 180 D HA 0.069 4.709 4.640 -0.000 0.000 0.199 180 D C 2.435 178.831 176.300 0.161 0.000 0.984 180 D CA 1.436 55.527 54.000 0.151 0.000 0.834 180 D CB -0.612 40.268 40.800 0.134 0.000 0.955 180 D HN 0.586 nan 8.370 nan 0.000 0.465 181 A N -0.136 122.782 122.820 0.162 0.000 1.898 181 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 181 A C 2.173 179.855 177.584 0.163 0.000 1.181 181 A CA 1.086 53.202 52.037 0.131 0.000 0.620 181 A CB -1.149 17.915 19.000 0.107 0.000 0.819 181 A HN 0.358 nan 8.150 nan 0.000 0.442 182 W N 1.216 122.563 121.300 0.079 0.000 2.333 182 W HA -0.195 4.465 4.660 -0.000 0.000 0.316 182 W C 1.520 178.119 176.519 0.134 0.000 1.215 182 W CA 2.013 59.437 57.345 0.132 0.000 1.278 182 W CB 0.011 29.547 29.460 0.125 0.000 1.154 182 W HN 0.374 nan 8.180 nan 0.000 0.486 183 D N -0.963 119.746 120.400 0.516 0.000 2.144 183 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 183 D C 2.115 178.539 176.300 0.206 0.000 0.984 183 D CA 2.039 56.280 54.000 0.402 0.000 0.834 183 D CB -0.855 40.125 40.800 0.301 0.000 0.955 183 D HN 0.149 nan 8.370 nan 0.000 0.465 184 T N 0.621 115.252 114.554 0.130 0.000 2.708 184 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 184 T C 2.264 176.983 174.700 0.032 0.000 1.037 184 T CA 0.805 62.949 62.100 0.073 0.000 1.146 184 T CB -0.270 68.620 68.868 0.037 0.000 0.865 184 T HN -0.022 nan 8.240 nan 0.000 0.435 185 V N 1.659 121.498 119.914 -0.124 0.000 2.343 185 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 185 V C 2.362 178.165 176.094 -0.486 0.000 1.051 185 V CA 1.887 63.987 62.300 -0.333 0.000 1.036 185 V CB -0.633 30.888 31.823 -0.503 0.000 0.654 185 V HN 0.454 nan 8.190 nan 0.000 0.451 186 D N -1.269 118.813 120.400 -0.530 0.000 2.123 186 D HA -0.254 4.386 4.640 -0.000 0.000 0.196 186 D C 1.859 178.202 176.300 0.072 0.000 0.992 186 D CA 1.529 55.358 54.000 -0.284 0.000 0.833 186 D CB -0.196 40.599 40.800 -0.008 0.000 0.954 186 D HN 0.565 nan 8.370 nan 0.000 0.455 187 W N 0.519 121.793 121.300 -0.043 0.000 2.381 187 W HA -0.042 4.617 4.660 -0.000 0.000 0.301 187 W C 1.968 178.477 176.519 -0.016 0.000 1.205 187 W CA 1.030 58.381 57.345 0.009 0.000 1.285 187 W CB -0.260 29.203 29.460 0.005 0.000 1.133 187 W HN -0.012 nan 8.180 nan 0.000 0.521 188 L N 0.271 121.647 121.223 0.254 0.000 2.012 188 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 188 L C 2.516 179.302 176.870 -0.140 0.000 1.073 188 L CA 1.838 56.741 54.840 0.106 0.000 0.748 188 L CB -1.523 40.579 42.059 0.071 0.000 0.891 188 L HN 0.062 nan 8.230 nan 0.000 0.431 189 V N -3.938 115.856 119.914 -0.200 0.000 2.913 189 V HA -0.216 3.904 4.120 -0.000 0.000 0.260 189 V C 1.673 177.522 176.094 -0.408 0.000 1.098 189 V CA 1.564 63.687 62.300 -0.295 0.000 1.121 189 V CB -0.993 30.631 31.823 -0.333 0.000 0.714 189 V HN 0.469 nan 8.190 nan 0.000 0.487 190 H N 0.381 119.286 119.070 -0.275 0.000 2.648 190 H HA 0.345 4.901 4.556 -0.000 0.000 0.265 190 H C 1.137 176.209 175.328 -0.426 0.000 0.961 190 H CA 0.869 56.741 56.048 -0.293 0.000 1.185 190 H CB 0.205 29.817 29.762 -0.249 0.000 1.449 190 H HN 0.537 nan 8.280 nan 0.000 0.523 191 N N -0.297 118.079 118.700 -0.541 0.000 2.241 191 N HA 0.166 4.906 4.740 -0.000 0.000 0.238 191 N C -1.170 174.090 175.510 -0.417 0.000 1.244 191 N CA 0.065 52.696 53.050 -0.697 0.000 0.880 191 N CB 2.162 39.626 38.487 -1.705 0.000 1.179 191 N HN -0.100 nan 8.380 nan 0.000 0.513 192 V N 1.775 121.538 119.914 -0.250 0.000 2.383 192 V HA 0.254 4.374 4.120 -0.000 0.000 0.264 192 V C -1.825 174.205 176.094 -0.106 0.000 1.001 192 V CA -1.187 61.042 62.300 -0.119 0.000 0.828 192 V CB 1.465 33.254 31.823 -0.057 0.000 1.069 192 V HN -0.028 nan 8.190 nan 0.000 0.451 193 P HA -0.135 nan 4.420 nan 0.000 0.217 193 P C 1.209 178.470 177.300 -0.064 0.000 1.148 193 P CA 1.138 64.191 63.100 -0.079 0.000 0.828 193 P CB 0.459 32.123 31.700 -0.060 0.000 0.783 194 E N -0.354 119.817 120.200 -0.049 0.000 2.347 194 E HA -0.046 4.303 4.350 -0.000 0.000 0.196 194 E C 1.063 177.629 176.600 -0.056 0.000 1.008 194 E CA 0.420 56.795 56.400 -0.041 0.000 0.852 194 E CB -0.449 29.239 29.700 -0.020 0.000 0.783 194 E HN 0.361 nan 8.360 nan 0.000 0.505 195 S N 0.860 116.517 115.700 -0.071 0.000 2.681 195 S HA 0.144 4.614 4.470 -0.000 0.000 0.270 195 S C 0.790 175.328 174.600 -0.103 0.000 1.209 195 S CA -0.507 57.639 58.200 -0.090 0.000 0.988 195 S CB 0.791 63.935 63.200 -0.093 0.000 1.006 195 S HN 0.186 nan 8.310 nan 0.000 0.558 196 N N -0.740 117.890 118.700 -0.117 0.000 2.230 196 N HA 0.225 4.965 4.740 -0.000 0.000 0.202 196 N C 1.097 176.533 175.510 -0.123 0.000 1.119 196 N CA 0.304 53.285 53.050 -0.115 0.000 0.851 196 N CB -0.259 38.158 38.487 -0.116 0.000 0.990 196 N HN 1.335 nan 8.380 nan 0.000 0.497 197 G N 0.473 109.190 108.800 -0.138 0.000 2.162 197 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 197 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 197 G C -0.460 174.356 174.900 -0.141 0.000 0.976 197 G CA -0.044 44.962 45.100 -0.157 0.000 0.655 197 G HN 0.412 nan 8.290 nan 0.000 0.533 198 R N -0.046 120.377 120.500 -0.128 0.000 2.338 198 R HA 0.621 4.961 4.340 -0.000 0.000 0.317 198 R C -0.498 175.730 176.300 -0.120 0.000 0.968 198 R CA -0.594 55.435 56.100 -0.118 0.000 0.849 198 R CB 2.153 32.385 30.300 -0.112 0.000 1.128 198 R HN 0.153 nan 8.270 nan 0.000 0.448 199 V N 1.314 121.154 119.914 -0.123 0.000 2.555 199 V HA 0.661 4.781 4.120 -0.000 0.000 0.302 199 V C 0.481 176.493 176.094 -0.137 0.000 1.038 199 V CA -0.863 61.367 62.300 -0.116 0.000 0.887 199 V CB 2.124 33.869 31.823 -0.130 0.000 0.991 199 V HN 0.918 nan 8.190 nan 0.000 0.434 200 G N 3.643 112.378 108.800 -0.109 0.000 2.513 200 G HA2 0.727 4.687 3.960 -0.000 0.000 0.317 200 G HA3 0.727 4.687 3.960 -0.000 0.000 0.317 200 G C -1.005 173.901 174.900 0.010 0.000 1.277 200 G CA -0.682 44.317 45.100 -0.168 0.000 0.955 200 G HN 0.524 nan 8.290 nan 0.000 0.484 201 M N 1.144 120.774 119.600 0.050 0.000 2.508 201 M HA 0.625 5.105 4.480 -0.000 0.000 0.327 201 M C -0.089 176.325 176.300 0.191 0.000 1.160 201 M CA -0.551 54.795 55.300 0.078 0.000 0.980 201 M CB 2.734 35.344 32.600 0.018 0.000 1.693 201 M HN 0.595 nan 8.290 nan 0.000 0.452 202 T N 0.715 115.329 114.554 0.100 0.000 2.739 202 T HA 0.873 5.223 4.350 -0.000 0.000 0.303 202 T C -1.392 173.346 174.700 0.063 0.000 1.389 202 T CA 0.041 62.202 62.100 0.101 0.000 1.001 202 T CB 2.081 71.041 68.868 0.155 0.000 1.436 202 T HN 1.037 nan 8.240 nan 0.000 0.500 203 G N 0.799 109.646 108.800 0.078 0.000 2.329 203 G HA2 0.424 4.383 3.960 -0.000 0.000 0.308 203 G HA3 0.424 4.383 3.960 -0.000 0.000 0.308 203 G C -1.246 173.733 174.900 0.131 0.000 1.587 203 G CA 0.095 45.268 45.100 0.123 0.000 0.978 203 G HN 0.798 nan 8.290 nan 0.000 0.685 204 S N -0.207 115.589 115.700 0.160 0.000 2.578 204 S HA 0.856 5.325 4.470 -0.000 0.000 0.301 204 S C 1.069 175.831 174.600 0.269 0.000 1.091 204 S CA 1.285 59.570 58.200 0.141 0.000 1.032 204 S CB 1.448 64.659 63.200 0.020 0.000 1.064 204 S HN 2.446 nan 8.310 nan 0.000 0.508 205 S N 1.754 117.637 115.700 0.305 0.000 4.140 205 S HA -0.328 4.142 4.470 -0.000 0.000 0.618 205 S C 0.875 175.750 174.600 0.457 0.000 1.896 205 S CA 1.596 60.076 58.200 0.467 0.000 4.240 205 S CB -1.928 61.637 63.200 0.607 0.000 0.208 205 S HN 0.985 nan 8.310 nan 0.000 0.487 206 Y N 2.297 122.850 120.300 0.422 0.000 2.293 206 Y HA 0.045 4.595 4.550 -0.000 0.000 0.291 206 Y C 2.439 178.582 175.900 0.406 0.000 1.137 206 Y CA 2.014 60.343 58.100 0.381 0.000 1.202 206 Y CB -0.144 38.504 38.460 0.313 0.000 0.990 206 Y HN 0.589 nan 8.280 nan 0.000 0.537 207 E N -0.855 119.692 120.200 0.579 0.000 2.268 207 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 207 E C 2.206 178.993 176.600 0.313 0.000 0.995 207 E CA 0.727 57.379 56.400 0.419 0.000 0.836 207 E CB -0.200 29.721 29.700 0.369 0.000 0.763 207 E HN 0.623 nan 8.360 nan 0.000 0.491 208 G N 0.779 109.768 108.800 0.315 0.000 2.426 208 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.214 208 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.214 208 G C 1.301 176.355 174.900 0.256 0.000 1.156 208 G CA -0.018 45.225 45.100 0.238 0.000 0.802 208 G HN 0.271 nan 8.290 nan 0.000 0.534 209 F N 3.154 123.197 119.950 0.155 0.000 2.161 209 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 209 F C 2.853 178.725 175.800 0.120 0.000 1.089 209 F CA 2.376 60.436 58.000 0.099 0.000 1.282 209 F CB -0.502 38.458 39.000 -0.067 0.000 1.010 209 F HN 0.197 nan 8.300 nan 0.000 0.485 210 T N -2.240 112.371 114.554 0.094 0.000 2.915 210 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 210 T C 1.947 176.634 174.700 -0.021 0.000 1.071 210 T CA 1.341 63.443 62.100 0.004 0.000 1.132 210 T CB -1.173 67.824 68.868 0.215 0.000 0.878 210 T HN 0.177 nan 8.240 nan 0.000 0.479 211 V N 1.240 121.169 119.914 0.025 0.000 2.323 211 V HA -0.093 4.027 4.120 -0.000 0.000 0.244 211 V C 2.931 179.010 176.094 -0.024 0.000 1.041 211 V CA 1.214 63.516 62.300 0.003 0.000 1.025 211 V CB -0.664 31.160 31.823 0.002 0.000 0.656 211 V HN 0.379 nan 8.190 nan 0.000 0.451 212 V N -0.424 119.483 119.914 -0.011 0.000 2.343 212 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 212 V C 2.541 178.628 176.094 -0.013 0.000 1.051 212 V CA 1.889 64.219 62.300 0.050 0.000 1.036 212 V CB -0.609 31.315 31.823 0.168 0.000 0.654 212 V HN 0.412 nan 8.190 nan 0.000 0.451 213 M N -0.264 119.234 119.600 -0.169 0.000 2.213 213 M HA -0.118 4.361 4.480 -0.000 0.000 0.263 213 M C 2.365 178.648 176.300 -0.029 0.000 1.062 213 M CA 2.077 57.280 55.300 -0.162 0.000 1.105 213 M CB -1.362 31.031 32.600 -0.346 0.000 1.385 213 M HN 0.429 nan 8.290 nan 0.000 0.417 214 A N 0.082 122.897 122.820 -0.009 0.000 1.930 214 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 214 A C 2.206 179.830 177.584 0.067 0.000 1.175 214 A CA 1.007 53.073 52.037 0.049 0.000 0.627 214 A CB -0.814 18.207 19.000 0.036 0.000 0.815 214 A HN 0.475 nan 8.150 nan 0.000 0.443 215 L N -0.314 120.940 121.223 0.051 0.000 2.362 215 L HA -0.100 4.240 4.340 -0.000 0.000 0.219 215 L C 2.120 179.047 176.870 0.095 0.000 1.134 215 L CA 0.344 55.227 54.840 0.072 0.000 0.807 215 L CB -0.400 41.709 42.059 0.083 0.000 0.927 215 L HN 0.391 nan 8.230 nan 0.000 0.447 216 L N -0.683 120.594 121.223 0.090 0.000 2.141 216 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 216 L C 0.382 177.309 176.870 0.094 0.000 1.094 216 L CA 0.845 55.739 54.840 0.091 0.000 0.763 216 L CB -0.127 41.978 42.059 0.078 0.000 0.908 216 L HN 0.237 nan 8.230 nan 0.000 0.437 217 D N -0.510 119.960 120.400 0.117 0.000 2.634 217 D HA 0.164 4.804 4.640 -0.000 0.000 0.236 217 D C -2.673 173.775 176.300 0.246 0.000 1.323 217 D CA -1.360 52.728 54.000 0.147 0.000 0.884 217 D CB 1.102 41.969 40.800 0.111 0.000 1.496 217 D HN -0.166 nan 8.370 nan 0.000 0.525 218 P HA 0.153 nan 4.420 nan 0.000 0.278 218 P C -0.106 177.299 177.300 0.175 0.000 1.238 218 P CA -0.318 62.884 63.100 0.170 0.000 0.794 218 P CB 0.700 32.445 31.700 0.075 0.000 0.955 219 H N 4.953 123.951 119.070 -0.119 0.000 2.815 219 H HA 0.048 4.604 4.556 -0.000 0.000 0.350 219 H C -1.185 174.022 175.328 -0.202 0.000 1.080 219 H CA -1.093 54.681 56.048 -0.457 0.000 1.433 219 H CB 0.777 30.047 29.762 -0.821 0.000 1.432 219 H HN 0.253 nan 8.280 nan 0.000 0.592 220 P HA -0.121 nan 4.420 nan 0.000 0.223 220 P C 0.786 178.088 177.300 0.005 0.000 1.144 220 P CA 1.390 64.420 63.100 -0.117 0.000 0.783 220 P CB 0.031 31.626 31.700 -0.175 0.000 0.771 221 A N -0.739 122.199 122.820 0.198 0.000 2.169 221 A HA 0.040 4.360 4.320 -0.000 0.000 0.212 221 A C 1.167 178.722 177.584 -0.048 0.000 1.153 221 A CA -0.012 52.050 52.037 0.043 0.000 0.756 221 A CB -0.897 18.085 19.000 -0.030 0.000 0.813 221 A HN 0.176 nan 8.150 nan 0.000 0.471 222 L N 0.879 122.079 121.223 -0.039 0.000 2.454 222 L HA 0.212 4.552 4.340 -0.000 0.000 0.284 222 L C 0.713 177.511 176.870 -0.120 0.000 1.139 222 L CA 0.123 54.909 54.840 -0.090 0.000 0.911 222 L CB 0.086 42.107 42.059 -0.063 0.000 1.262 222 L HN 0.017 nan 8.230 nan 0.000 0.453 223 K N 3.342 123.645 120.400 -0.162 0.000 2.361 223 K HA 0.266 4.586 4.320 -0.000 0.000 0.196 223 K C -0.050 176.338 176.600 -0.353 0.000 1.039 223 K CA 0.339 56.505 56.287 -0.202 0.000 1.001 223 K CB 0.341 32.757 32.500 -0.140 0.000 0.795 223 K HN 0.395 nan 8.250 nan 0.000 0.495 224 V N -0.657 119.019 119.914 -0.397 0.000 3.167 224 V HA 0.655 4.775 4.120 -0.000 0.000 0.293 224 V C -2.041 173.835 176.094 -0.362 0.000 1.379 224 V CA -0.808 61.181 62.300 -0.520 0.000 1.019 224 V CB 2.197 33.520 31.823 -0.832 0.000 1.115 224 V HN 0.139 nan 8.190 nan 0.000 0.442 225 A N 3.906 126.653 122.820 -0.121 0.000 2.475 225 A HA 1.026 5.346 4.320 -0.000 0.000 0.301 225 A C -0.445 177.255 177.584 0.193 0.000 1.059 225 A CA -0.147 51.914 52.037 0.041 0.000 0.710 225 A CB 2.106 21.058 19.000 -0.081 0.000 1.288 225 A HN 2.264 nan 8.150 nan 0.000 0.408 226 A N 2.494 125.431 122.820 0.195 0.000 3.127 226 A HA 0.696 5.015 4.320 -0.000 0.000 0.319 226 A C -3.099 174.410 177.584 -0.126 0.000 1.104 226 A CA -1.289 50.747 52.037 -0.003 0.000 0.802 226 A CB 0.316 19.255 19.000 -0.102 0.000 1.193 226 A HN 0.419 nan 8.150 nan 0.000 0.479 227 P HA 0.337 nan 4.420 nan 0.000 0.276 227 P C -0.520 176.768 177.300 -0.020 0.000 1.243 227 P CA 0.401 63.424 63.100 -0.129 0.000 0.768 227 P CB 0.785 32.326 31.700 -0.265 0.000 0.856 228 E N 1.440 121.664 120.200 0.040 0.000 2.145 228 E HA 0.276 4.626 4.350 -0.000 0.000 0.270 228 E C -0.161 176.513 176.600 0.124 0.000 0.906 228 E CA -0.707 55.717 56.400 0.040 0.000 0.761 228 E CB 0.716 30.399 29.700 -0.027 0.000 1.116 228 E HN 0.240 nan 8.360 nan 0.000 0.408 229 S N 2.573 118.370 115.700 0.162 0.000 3.378 229 S HA -0.141 4.329 4.470 -0.000 0.000 0.365 229 S C -2.146 172.640 174.600 0.310 0.000 0.951 229 S CA 0.238 58.585 58.200 0.245 0.000 1.274 229 S CB -1.500 61.835 63.200 0.225 0.000 0.915 229 S HN 0.476 nan 8.310 nan 0.000 0.513 230 P HA 0.265 nan 4.420 nan 0.000 0.276 230 P C -0.162 177.319 177.300 0.301 0.000 1.244 230 P CA -0.652 62.645 63.100 0.329 0.000 0.801 230 P CB 0.565 32.489 31.700 0.373 0.000 1.006 231 M N 2.204 121.969 119.600 0.276 0.000 2.135 231 M HA 0.101 4.580 4.480 -0.000 0.000 0.345 231 M C 0.823 177.294 176.300 0.284 0.000 1.340 231 M CA -0.188 55.209 55.300 0.161 0.000 1.162 231 M CB 0.515 33.093 32.600 -0.036 0.000 1.570 231 M HN 0.113 nan 8.290 nan 0.000 0.454 232 V N 0.348 120.420 119.914 0.264 0.000 2.854 232 V HA 0.140 4.260 4.120 -0.000 0.000 0.236 232 V C 0.176 176.432 176.094 0.270 0.000 1.157 232 V CA 0.841 63.329 62.300 0.314 0.000 1.187 232 V CB 0.470 32.495 31.823 0.337 0.000 0.949 232 V HN 0.731 nan 8.190 nan 0.000 0.488 233 D N -0.021 120.489 120.400 0.183 0.000 2.402 233 D HA 0.333 4.973 4.640 -0.000 0.000 0.252 233 D C 0.885 177.154 176.300 -0.052 0.000 1.294 233 D CA 0.283 54.334 54.000 0.086 0.000 0.948 233 D CB 1.572 42.326 40.800 -0.076 0.000 1.202 233 D HN 0.181 nan 8.370 nan 0.000 0.561 234 G N 1.838 110.697 108.800 0.098 0.000 2.679 234 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.212 234 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.212 234 G C 0.986 175.882 174.900 -0.008 0.000 1.137 234 G CA 0.079 45.163 45.100 -0.027 0.000 0.787 234 G HN 0.540 nan 8.290 nan 0.000 0.534 235 W N -0.197 120.925 121.300 -0.297 0.000 2.699 235 W HA 0.271 4.931 4.660 -0.000 0.000 0.267 235 W C 2.308 178.413 176.519 -0.688 0.000 1.182 235 W CA 0.113 57.160 57.345 -0.497 0.000 1.453 235 W CB 0.293 29.340 29.460 -0.688 0.000 1.054 235 W HN -0.036 nan 8.180 nan 0.000 0.595 236 M N -0.301 118.912 119.600 -0.645 0.000 2.099 236 M HA 0.155 4.635 4.480 -0.000 0.000 0.262 236 M C 1.503 176.876 176.300 -1.545 0.000 1.067 236 M CA 1.940 56.426 55.300 -1.357 0.000 1.124 236 M CB -1.353 30.013 32.600 -2.057 0.000 1.353 236 M HN 0.245 nan 8.290 nan 0.000 0.410 237 G N -1.068 107.002 108.800 -1.218 0.000 5.310 237 G HA2 0.103 4.063 3.960 -0.000 0.000 0.203 237 G HA3 0.103 4.063 3.960 -0.000 0.000 0.203 237 G C -0.187 174.414 174.900 -0.499 0.000 0.800 237 G CA -0.383 44.130 45.100 -0.978 0.000 0.754 237 G HN 0.193 nan 8.290 nan 0.000 0.308 238 D N 0.046 120.272 120.400 -0.289 0.000 3.213 238 D HA 0.160 4.799 4.640 -0.000 0.000 0.229 238 D C 0.925 177.110 176.300 -0.192 0.000 1.179 238 D CA -0.172 53.747 54.000 -0.135 0.000 1.218 238 D CB 0.641 41.370 40.800 -0.120 0.000 0.950 238 D HN -0.087 nan 8.370 nan 0.000 0.232 239 D N -0.605 119.491 120.400 -0.507 0.000 2.183 239 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 239 D C 2.152 178.074 176.300 -0.630 0.000 0.962 239 D CA 0.616 54.166 54.000 -0.750 0.000 0.849 239 D CB 0.246 40.261 40.800 -1.309 0.000 0.978 239 D HN 0.371 nan 8.370 nan 0.000 0.488 240 W N -0.059 121.181 121.300 -0.099 0.000 2.525 240 W HA 0.114 4.774 4.660 -0.000 0.000 0.288 240 W C 0.514 176.677 176.519 -0.594 0.000 1.200 240 W CA -0.422 56.774 57.345 -0.249 0.000 1.349 240 W CB 0.105 29.600 29.460 0.058 0.000 1.102 240 W HN -0.227 nan 8.180 nan 0.000 0.558 241 F N -1.483 118.431 119.950 -0.060 0.000 2.643 241 F HA 0.412 4.939 4.527 -0.000 0.000 0.314 241 F C -0.377 175.295 175.800 -0.214 0.000 1.096 241 F CA -1.393 56.469 58.000 -0.229 0.000 0.953 241 F CB 1.220 39.769 39.000 -0.753 0.000 1.345 241 F HN -0.301 nan 8.300 nan 0.000 0.468 242 H N 1.453 120.420 119.070 -0.172 0.000 2.800 242 H HA 0.221 4.777 4.556 -0.000 0.000 0.322 242 H C -1.098 173.962 175.328 -0.447 0.000 0.979 242 H CA -0.884 54.979 56.048 -0.307 0.000 1.277 242 H CB 0.868 30.619 29.762 -0.018 0.000 1.484 242 H HN 0.674 nan 8.280 nan 0.000 0.512 243 Y N 1.803 121.726 120.300 -0.629 0.000 3.225 243 Y HA -0.306 4.244 4.550 -0.000 0.000 0.211 243 Y C 1.581 176.913 175.900 -0.948 0.000 1.223 243 Y CA 1.420 59.044 58.100 -0.793 0.000 1.284 243 Y CB -1.814 36.313 38.460 -0.555 0.000 1.367 243 Y HN 1.148 nan 8.280 nan 0.000 0.566 244 G N -2.080 105.834 108.800 -1.478 0.000 2.205 244 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.261 244 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.261 244 G C 0.385 175.194 174.900 -0.151 0.000 0.980 244 G CA -0.064 44.343 45.100 -1.154 0.000 0.632 244 G HN 1.586 nan 8.290 nan 0.000 0.533 245 A N 0.329 123.114 122.820 -0.059 0.000 2.354 245 A HA 0.645 4.965 4.320 -0.000 0.000 0.281 245 A C -0.100 177.688 177.584 0.339 0.000 1.174 245 A CA -0.350 51.770 52.037 0.139 0.000 0.828 245 A CB 0.215 19.162 19.000 -0.088 0.000 1.099 245 A HN 1.267 nan 8.150 nan 0.000 0.516 246 F N 3.033 123.080 119.950 0.160 0.000 2.456 246 F HA 0.372 4.899 4.527 -0.000 0.000 0.358 246 F C 0.733 176.412 175.800 -0.202 0.000 1.095 246 F CA -0.264 57.645 58.000 -0.152 0.000 1.216 246 F CB 0.642 39.584 39.000 -0.096 0.000 1.125 246 F HN 0.569 nan 8.300 nan 0.000 0.549 247 R N 5.901 125.621 120.500 -1.301 0.000 2.196 247 R HA 0.130 4.470 4.340 -0.000 0.000 0.340 247 R C 0.929 176.160 176.300 -1.781 0.000 1.043 247 R CA -0.250 55.043 56.100 -1.345 0.000 0.883 247 R CB 0.704 30.413 30.300 -0.985 0.000 1.078 247 R HN 0.765 nan 8.270 nan 0.000 0.462 248 Q N 1.377 120.313 119.800 -1.441 0.000 2.500 248 Q HA -0.063 4.276 4.340 -0.000 0.000 0.213 248 Q C 1.575 176.645 176.000 -1.550 0.000 0.974 248 Q CA 1.002 55.990 55.803 -1.358 0.000 0.918 248 Q CB 0.336 28.387 28.738 -1.145 0.000 0.980 248 Q HN 0.850 nan 8.270 nan 0.000 0.505 249 G N 0.505 108.186 108.800 -1.864 0.000 2.744 249 G HA2 0.015 3.975 3.960 -0.000 0.000 0.211 249 G HA3 0.015 3.975 3.960 -0.000 0.000 0.211 249 G C 1.369 175.598 174.900 -1.118 0.000 1.143 249 G CA 0.540 44.414 45.100 -2.042 0.000 0.788 249 G HN 0.361 nan 8.290 nan 0.000 0.534 250 A N 0.623 122.813 122.820 -1.049 0.000 2.015 250 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 250 A C 1.942 178.898 177.584 -1.046 0.000 1.163 250 A CA 0.867 52.388 52.037 -0.859 0.000 0.646 250 A CB -0.428 18.124 19.000 -0.748 0.000 0.806 250 A HN 0.254 nan 8.150 nan 0.000 0.448 251 F N 0.844 120.419 119.950 -0.625 0.000 2.102 251 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 251 F C 2.128 177.777 175.800 -0.252 0.000 1.105 251 F CA 1.196 58.968 58.000 -0.380 0.000 1.239 251 F CB -0.775 38.172 39.000 -0.089 0.000 0.991 251 F HN 0.237 nan 8.300 nan 0.000 0.474 252 D N -1.209 119.161 120.400 -0.050 0.000 2.117 252 D HA -0.237 4.402 4.640 -0.000 0.000 0.197 252 D C 2.149 178.447 176.300 -0.003 0.000 0.987 252 D CA 1.215 55.202 54.000 -0.023 0.000 0.829 252 D CB -0.712 40.050 40.800 -0.063 0.000 0.961 252 D HN 0.343 nan 8.370 nan 0.000 0.460 253 Y N 0.639 120.837 120.300 -0.170 0.000 2.181 253 Y HA -0.233 4.316 4.550 -0.000 0.000 0.288 253 Y C 2.197 178.194 175.900 0.160 0.000 1.146 253 Y CA 1.518 59.607 58.100 -0.019 0.000 1.164 253 Y CB -0.455 37.995 38.460 -0.017 0.000 0.982 253 Y HN -0.088 nan 8.280 nan 0.000 0.515 254 F N -1.379 118.651 119.950 0.133 0.000 2.075 254 F HA -0.283 4.244 4.527 -0.000 0.000 0.297 254 F C 2.309 178.072 175.800 -0.063 0.000 1.113 254 F CA 0.987 59.014 58.000 0.046 0.000 1.218 254 F CB -0.700 38.339 39.000 0.065 0.000 0.984 254 F HN -0.147 nan 8.300 nan 0.000 0.472 255 V N -0.801 119.149 119.914 0.060 0.000 2.407 255 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 255 V C 2.382 178.513 176.094 0.061 0.000 1.055 255 V CA 2.017 64.317 62.300 0.000 0.000 1.049 255 V CB -0.701 31.085 31.823 -0.061 0.000 0.662 255 V HN 0.372 nan 8.190 nan 0.000 0.455 256 S N -1.002 114.701 115.700 0.006 0.000 2.383 256 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 256 S C 1.908 176.469 174.600 -0.066 0.000 1.026 256 S CA 1.239 59.424 58.200 -0.024 0.000 0.981 256 S CB -0.073 63.106 63.200 -0.036 0.000 0.818 256 S HN 0.596 nan 8.310 nan 0.000 0.472 257 Q N -0.596 119.124 119.800 -0.134 0.000 2.378 257 Q HA 0.344 4.684 4.340 -0.000 0.000 0.216 257 Q C 0.945 176.892 176.000 -0.088 0.000 0.892 257 Q CA 0.373 56.061 55.803 -0.191 0.000 0.931 257 Q CB 0.371 28.867 28.738 -0.403 0.000 1.086 257 Q HN 0.573 nan 8.270 nan 0.000 0.528 258 M N -0.844 118.813 119.600 0.095 0.000 2.416 258 M HA 0.136 4.616 4.480 -0.000 0.000 0.337 258 M C 0.917 177.348 176.300 0.219 0.000 1.074 258 M CA 0.105 55.529 55.300 0.206 0.000 0.968 258 M CB 0.890 33.706 32.600 0.360 0.000 1.472 258 M HN -0.153 nan 8.290 nan 0.000 0.539 259 T N 1.031 115.697 114.554 0.187 0.000 2.942 259 T HA 0.250 4.600 4.350 -0.000 0.000 0.265 259 T C 0.692 175.385 174.700 -0.012 0.000 1.062 259 T CA 0.944 63.125 62.100 0.135 0.000 1.139 259 T CB 0.176 69.129 68.868 0.142 0.000 0.883 259 T HN 0.480 nan 8.240 nan 0.000 0.468 260 A N -0.201 122.584 122.820 -0.059 0.000 2.588 260 A HA 0.681 5.001 4.320 -0.000 0.000 0.290 260 A C 0.798 178.264 177.584 -0.197 0.000 1.136 260 A CA -0.665 51.303 52.037 -0.114 0.000 0.681 260 A CB 0.745 19.677 19.000 -0.113 0.000 1.282 260 A HN 0.030 nan 8.150 nan 0.000 0.421 261 R N -0.219 120.160 120.500 -0.201 0.000 2.091 261 R HA -0.066 4.274 4.340 -0.000 0.000 0.238 261 R C 1.210 177.199 176.300 -0.518 0.000 1.136 261 R CA 2.278 58.218 56.100 -0.267 0.000 0.959 261 R CB -0.377 29.817 30.300 -0.175 0.000 0.856 261 R HN 0.878 nan 8.270 nan 0.000 0.437 262 G N -1.075 107.411 108.800 -0.523 0.000 2.882 262 G HA2 0.381 4.340 3.960 -0.000 0.000 0.164 262 G HA3 0.381 4.340 3.960 -0.000 0.000 0.164 262 G C -0.472 174.031 174.900 -0.661 0.000 1.429 262 G CA -0.234 44.334 45.100 -0.887 0.000 1.059 262 G HN 0.401 nan 8.290 nan 0.000 0.581 263 G N -1.172 107.463 108.800 -0.276 0.000 2.491 263 G HA2 0.505 4.465 3.960 -0.000 0.000 0.238 263 G HA3 0.505 4.465 3.960 -0.000 0.000 0.238 263 G C 0.171 175.035 174.900 -0.060 0.000 1.277 263 G CA 0.633 45.711 45.100 -0.037 0.000 0.851 263 G HN 0.868 nan 8.290 nan 0.000 0.573 264 G N 0.235 109.022 108.800 -0.022 0.000 3.140 264 G HA2 0.602 4.562 3.960 -0.000 0.000 0.271 264 G HA3 0.602 4.562 3.960 -0.000 0.000 0.271 264 G C -0.782 174.125 174.900 0.012 0.000 1.370 264 G CA -0.819 44.277 45.100 -0.007 0.000 1.014 264 G HN 0.596 nan 8.290 nan 0.000 0.541 265 N N -0.600 118.110 118.700 0.017 0.000 2.453 265 N HA 0.396 5.135 4.740 -0.000 0.000 0.290 265 N C -1.157 174.361 175.510 0.014 0.000 1.250 265 N CA -0.493 52.565 53.050 0.014 0.000 0.815 265 N CB 2.138 40.631 38.487 0.010 0.000 1.381 265 N HN 0.365 nan 8.380 nan 0.000 0.510 266 D N 0.258 120.664 120.400 0.009 0.000 2.398 266 D HA 0.351 4.991 4.640 -0.000 0.000 0.247 266 D C 0.162 176.465 176.300 0.005 0.000 1.227 266 D CA -0.024 53.982 54.000 0.010 0.000 0.980 266 D CB 0.893 41.700 40.800 0.011 0.000 1.106 266 D HN 0.293 nan 8.370 nan 0.000 0.493 267 I N 1.947 122.525 120.570 0.013 0.000 2.352 267 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 267 I C -1.942 174.167 176.117 -0.013 0.000 1.036 267 I CA -1.750 59.544 61.300 -0.011 0.000 1.336 267 I CB 0.846 38.849 38.000 0.005 0.000 1.407 267 I HN 0.048 nan 8.210 nan 0.000 0.497 268 P HA 0.120 nan 4.420 nan 0.000 0.263 268 P C -0.707 176.562 177.300 -0.051 0.000 1.195 268 P CA -0.119 62.956 63.100 -0.043 0.000 0.762 268 P CB 0.395 32.062 31.700 -0.054 0.000 0.799 269 R N 2.634 123.120 120.500 -0.024 0.000 2.598 269 R HA 0.328 4.668 4.340 -0.000 0.000 0.279 269 R C 1.157 177.443 176.300 -0.023 0.000 0.984 269 R CA -0.827 55.266 56.100 -0.013 0.000 0.999 269 R CB 1.210 31.521 30.300 0.018 0.000 1.114 269 R HN 0.350 nan 8.270 nan 0.000 0.493 270 R N 0.539 121.026 120.500 -0.021 0.000 2.057 270 R HA 0.056 4.396 4.340 -0.000 0.000 0.224 270 R C 0.080 176.380 176.300 -0.000 0.000 1.136 270 R CA 1.486 57.576 56.100 -0.018 0.000 0.968 270 R CB 0.055 30.341 30.300 -0.022 0.000 0.863 270 R HN 0.627 nan 8.270 nan 0.000 0.433 271 D N -1.523 118.887 120.400 0.016 0.000 2.269 271 D HA 0.290 4.930 4.640 -0.000 0.000 0.244 271 D C 0.079 176.391 176.300 0.019 0.000 0.992 271 D CA 0.214 54.229 54.000 0.025 0.000 0.894 271 D CB 2.212 43.041 40.800 0.049 0.000 1.248 271 D HN 0.228 nan 8.370 nan 0.000 0.468 272 A N 2.260 125.086 122.820 0.010 0.000 2.015 272 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 272 A C 0.853 178.428 177.584 -0.016 0.000 1.163 272 A CA 1.001 53.032 52.037 -0.009 0.000 0.646 272 A CB -0.000 18.994 19.000 -0.010 0.000 0.806 272 A HN 0.511 nan 8.150 nan 0.000 0.448 273 D N -0.343 120.071 120.400 0.023 0.000 2.317 273 D HA 0.273 4.913 4.640 -0.000 0.000 0.234 273 D C -0.135 176.225 176.300 0.100 0.000 1.112 273 D CA -0.451 53.579 54.000 0.051 0.000 0.840 273 D CB 0.787 41.645 40.800 0.097 0.000 1.078 273 D HN 0.028 nan 8.370 nan 0.000 0.486 274 D N 2.419 122.850 120.400 0.051 0.000 2.264 274 D HA -0.182 4.457 4.640 -0.000 0.000 0.208 274 D C 1.348 177.799 176.300 0.252 0.000 0.966 274 D CA 0.631 54.717 54.000 0.143 0.000 0.864 274 D CB -0.086 40.712 40.800 -0.003 0.000 0.933 274 D HN 0.577 nan 8.370 nan 0.000 0.499 275 Y N 1.459 121.834 120.300 0.125 0.000 2.128 275 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 275 Y C 2.303 178.402 175.900 0.331 0.000 1.154 275 Y CA 1.897 60.146 58.100 0.249 0.000 1.149 275 Y CB -0.337 38.263 38.460 0.232 0.000 0.976 275 Y HN -0.100 nan 8.280 nan 0.000 0.505 276 T N 0.667 115.472 114.554 0.417 0.000 2.770 276 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 276 T C 1.633 176.456 174.700 0.205 0.000 1.039 276 T CA 1.294 63.565 62.100 0.285 0.000 1.142 276 T CB -0.299 68.695 68.868 0.209 0.000 0.868 276 T HN 0.377 nan 8.240 nan 0.000 0.435 277 N N 1.098 119.910 118.700 0.188 0.000 2.043 277 N HA -0.056 4.684 4.740 -0.000 0.000 0.193 277 N C 1.609 177.189 175.510 0.116 0.000 1.037 277 N CA 1.323 54.448 53.050 0.125 0.000 0.851 277 N CB -0.628 37.915 38.487 0.093 0.000 1.027 277 N HN 0.354 nan 8.380 nan 0.000 0.422 278 F N 0.652 120.671 119.950 0.114 0.000 2.325 278 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 278 F C 2.145 178.098 175.800 0.256 0.000 1.090 278 F CA 0.231 58.304 58.000 0.121 0.000 1.392 278 F CB -0.293 38.629 39.000 -0.130 0.000 1.053 278 F HN -0.002 nan 8.300 nan 0.000 0.521 279 L N 0.340 121.795 121.223 0.387 0.000 2.156 279 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 279 L C 2.010 178.907 176.870 0.044 0.000 1.095 279 L CA 1.758 56.667 54.840 0.115 0.000 0.770 279 L CB -0.639 41.379 42.059 -0.068 0.000 0.914 279 L HN -0.045 nan 8.230 nan 0.000 0.439 280 K N -0.819 119.632 120.400 0.085 0.000 2.155 280 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 280 K C 1.992 178.624 176.600 0.052 0.000 1.052 280 K CA 0.966 57.282 56.287 0.048 0.000 0.948 280 K CB -0.173 32.356 32.500 0.048 0.000 0.728 280 K HN 0.393 nan 8.250 nan 0.000 0.448 281 A N 0.936 123.815 122.820 0.098 0.000 2.014 281 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 281 A C 1.468 179.128 177.584 0.127 0.000 1.163 281 A CA 1.657 53.758 52.037 0.107 0.000 0.652 281 A CB -0.468 18.648 19.000 0.193 0.000 0.808 281 A HN 0.444 nan 8.150 nan 0.000 0.449 282 G N -0.914 107.962 108.800 0.125 0.000 3.076 282 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.256 282 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.256 282 G C 0.673 175.698 174.900 0.207 0.000 1.589 282 G CA 0.759 45.908 45.100 0.081 0.000 1.044 282 G HN 1.714 nan 8.290 nan 0.000 0.563 283 S N 1.288 117.181 115.700 0.321 0.000 2.669 283 S HA 0.742 5.212 4.470 -0.000 0.000 0.270 283 S C 1.663 176.559 174.600 0.494 0.000 1.225 283 S CA 0.609 59.076 58.200 0.445 0.000 0.991 283 S CB 1.588 65.046 63.200 0.430 0.000 0.987 283 S HN 2.152 nan 8.310 nan 0.000 0.552 284 A N 1.302 124.487 122.820 0.608 0.000 1.902 284 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 284 A C 2.157 180.126 177.584 0.643 0.000 1.181 284 A CA 1.662 54.167 52.037 0.780 0.000 0.623 284 A CB -1.791 17.785 19.000 0.960 0.000 0.818 284 A HN 1.143 nan 8.150 nan 0.000 0.443 285 G N -1.099 108.079 108.800 0.629 0.000 2.422 285 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 285 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 285 G C 1.875 176.939 174.900 0.274 0.000 1.140 285 G CA 1.425 46.844 45.100 0.532 0.000 0.775 285 G HN 0.569 nan 8.290 nan 0.000 0.545 286 S N -0.486 115.369 115.700 0.257 0.000 2.371 286 S HA -0.055 4.414 4.470 -0.000 0.000 0.224 286 S C 2.026 176.654 174.600 0.047 0.000 1.029 286 S CA 1.096 59.381 58.200 0.142 0.000 0.978 286 S CB -0.379 62.922 63.200 0.169 0.000 0.833 286 S HN 0.354 nan 8.310 nan 0.000 0.466 287 F N 2.285 122.196 119.950 -0.064 0.000 2.102 287 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 287 F C 2.339 177.862 175.800 -0.462 0.000 1.105 287 F CA 1.348 59.195 58.000 -0.255 0.000 1.239 287 F CB -0.755 38.096 39.000 -0.249 0.000 0.991 287 F HN 0.279 nan 8.300 nan 0.000 0.474 288 A N -0.599 121.942 122.820 -0.464 0.000 1.933 288 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 288 A C 2.154 179.475 177.584 -0.438 0.000 1.175 288 A CA 2.250 53.799 52.037 -0.815 0.000 0.628 288 A CB -1.394 16.926 19.000 -1.134 0.000 0.814 288 A HN 0.448 nan 8.150 nan 0.000 0.444 289 T N -0.058 114.366 114.554 -0.216 0.000 2.777 289 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 289 T C 2.024 176.606 174.700 -0.196 0.000 1.040 289 T CA 1.670 63.692 62.100 -0.129 0.000 1.141 289 T CB -0.261 68.579 68.868 -0.047 0.000 0.868 289 T HN 0.622 nan 8.240 nan 0.000 0.444 290 Q N 0.458 120.093 119.800 -0.275 0.000 2.226 290 Q HA 0.046 4.386 4.340 -0.000 0.000 0.204 290 Q C 2.350 178.123 176.000 -0.379 0.000 0.975 290 Q CA 1.196 56.811 55.803 -0.314 0.000 0.866 290 Q CB -0.172 28.346 28.738 -0.367 0.000 0.915 290 Q HN 0.525 nan 8.270 nan 0.000 0.440 291 A N -0.386 122.134 122.820 -0.499 0.000 2.218 291 A HA 0.301 4.621 4.320 -0.000 0.000 0.209 291 A C 1.456 178.889 177.584 -0.251 0.000 1.168 291 A CA 0.731 52.503 52.037 -0.443 0.000 0.804 291 A CB -0.099 18.550 19.000 -0.584 0.000 0.834 291 A HN 0.431 nan 8.150 nan 0.000 0.482 292 G N -1.075 107.612 108.800 -0.189 0.000 2.143 292 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.249 292 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.249 292 G C 0.719 175.643 174.900 0.039 0.000 0.981 292 G CA 0.437 45.505 45.100 -0.053 0.000 0.665 292 G HN 0.418 nan 8.290 nan 0.000 0.528 293 L N 0.097 121.252 121.223 -0.114 0.000 2.291 293 L HA 0.056 4.396 4.340 -0.000 0.000 0.214 293 L C 2.203 179.222 176.870 0.249 0.000 1.120 293 L CA 1.091 55.872 54.840 -0.099 0.000 0.799 293 L CB -0.177 41.567 42.059 -0.525 0.000 0.925 293 L HN 0.090 nan 8.230 nan 0.000 0.446 294 D N 0.114 120.632 120.400 0.197 0.000 2.354 294 D HA -0.211 4.429 4.640 -0.000 0.000 0.216 294 D C 1.980 178.381 176.300 0.169 0.000 0.970 294 D CA 0.894 55.026 54.000 0.219 0.000 0.905 294 D CB 0.016 40.861 40.800 0.075 0.000 0.903 294 D HN 0.590 nan 8.370 nan 0.000 0.508 295 Q N -0.632 119.290 119.800 0.204 0.000 2.360 295 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 295 Q C -0.259 175.787 176.000 0.077 0.000 0.915 295 Q CA -0.041 55.821 55.803 0.097 0.000 0.943 295 Q CB -0.072 28.680 28.738 0.022 0.000 1.064 295 Q HN 0.264 nan 8.270 nan 0.000 0.511 296 Y N 1.434 121.781 120.300 0.079 0.000 2.367 296 Y HA 0.250 4.799 4.550 -0.000 0.000 0.342 296 Y C -1.588 174.357 175.900 0.075 0.000 0.979 296 Y CA -2.614 55.539 58.100 0.088 0.000 1.161 296 Y CB 1.510 40.045 38.460 0.125 0.000 1.155 296 Y HN 0.038 nan 8.280 nan 0.000 0.503 297 P HA -0.269 nan 4.420 nan 0.000 0.216 297 P C 1.526 178.866 177.300 0.067 0.000 1.153 297 P CA 1.480 64.619 63.100 0.065 0.000 0.858 297 P CB 0.052 31.782 31.700 0.050 0.000 0.789 298 F N -1.202 118.732 119.950 -0.028 0.000 2.186 298 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 298 F C 2.205 177.922 175.800 -0.139 0.000 1.090 298 F CA 1.114 59.044 58.000 -0.117 0.000 1.307 298 F CB -0.683 38.182 39.000 -0.225 0.000 1.019 298 F HN 0.007 nan 8.300 nan 0.000 0.489 299 W N 1.141 122.290 121.300 -0.252 0.000 2.436 299 W HA -0.173 4.487 4.660 -0.000 0.000 0.284 299 W C 1.918 178.308 176.519 -0.215 0.000 1.225 299 W CA 1.253 58.442 57.345 -0.260 0.000 1.271 299 W CB -0.306 29.111 29.460 -0.071 0.000 1.114 299 W HN 0.139 nan 8.180 nan 0.000 0.559 300 Q N 0.369 119.975 119.800 -0.323 0.000 2.061 300 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 300 Q C 2.359 178.063 176.000 -0.494 0.000 0.984 300 Q CA 2.064 57.600 55.803 -0.445 0.000 0.846 300 Q CB -0.355 28.245 28.738 -0.231 0.000 0.902 300 Q HN 0.287 nan 8.270 nan 0.000 0.421 301 R N 0.151 120.373 120.500 -0.463 0.000 2.081 301 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 301 R C 2.297 178.230 176.300 -0.611 0.000 1.131 301 R CA 1.493 57.245 56.100 -0.580 0.000 0.960 301 R CB -0.390 29.537 30.300 -0.621 0.000 0.856 301 R HN 0.337 nan 8.270 nan 0.000 0.436 302 M N 0.315 119.573 119.600 -0.570 0.000 2.159 302 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 302 M C 2.389 178.531 176.300 -0.264 0.000 1.063 302 M CA 1.665 56.851 55.300 -0.189 0.000 1.110 302 M CB -0.264 32.276 32.600 -0.100 0.000 1.374 302 M HN 0.204 nan 8.290 nan 0.000 0.411 303 H N 0.069 118.568 119.070 -0.952 0.000 2.423 303 H HA -0.029 4.527 4.556 -0.000 0.000 0.297 303 H C 1.523 176.593 175.328 -0.430 0.000 1.075 303 H CA 1.749 57.171 56.048 -1.043 0.000 1.342 303 H CB 0.106 28.979 29.762 -1.482 0.000 1.395 303 H HN 0.520 nan 8.280 nan 0.000 0.530 304 A N 0.254 122.826 122.820 -0.412 0.000 2.208 304 A HA -0.016 4.304 4.320 -0.000 0.000 0.209 304 A C 0.167 177.349 177.584 -0.670 0.000 1.161 304 A CA 0.244 51.975 52.037 -0.509 0.000 0.782 304 A CB -0.070 18.554 19.000 -0.626 0.000 0.816 304 A HN 0.472 nan 8.150 nan 0.000 0.477 305 H N -0.726 118.295 119.070 -0.082 0.000 2.439 305 H HA 0.175 4.731 4.556 -0.000 0.000 0.228 305 H C -2.210 173.378 175.328 0.433 0.000 1.423 305 H CA -1.270 54.836 56.048 0.097 0.000 1.386 305 H CB 0.683 30.408 29.762 -0.063 0.000 1.641 305 H HN 0.311 nan 8.280 nan 0.000 0.508 306 P HA -0.018 nan 4.420 nan 0.000 0.222 306 P C 0.818 178.362 177.300 0.406 0.000 1.153 306 P CA 0.542 63.908 63.100 0.445 0.000 0.798 306 P CB 0.673 32.529 31.700 0.260 0.000 0.796 307 A N -0.473 122.544 122.820 0.329 0.000 2.252 307 A HA 0.253 4.573 4.320 -0.000 0.000 0.305 307 A C -0.541 176.864 177.584 -0.297 0.000 1.097 307 A CA -0.491 51.629 52.037 0.139 0.000 0.849 307 A CB -0.265 18.884 19.000 0.247 0.000 1.142 307 A HN 0.039 nan 8.150 nan 0.000 0.499 308 Y N 2.086 121.738 120.300 -1.081 0.000 2.724 308 Y HA 0.196 4.746 4.550 -0.000 0.000 0.354 308 Y C 0.233 175.887 175.900 -0.410 0.000 1.270 308 Y CA -1.110 56.243 58.100 -1.244 0.000 1.902 308 Y CB -0.921 36.524 38.460 -1.691 0.000 1.981 308 Y HN 0.782 nan 8.280 nan 0.000 0.428 309 D N -0.024 120.228 120.400 -0.248 0.000 2.453 309 D HA 0.243 4.883 4.640 -0.000 0.000 0.282 309 D C 1.577 177.711 176.300 -0.276 0.000 1.222 309 D CA 0.086 53.981 54.000 -0.174 0.000 1.079 309 D CB -0.032 40.762 40.800 -0.010 0.000 1.128 309 D HN 0.201 nan 8.370 nan 0.000 0.568 310 A N -0.891 121.812 122.820 -0.195 0.000 1.986 310 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 310 A C 2.012 179.432 177.584 -0.274 0.000 1.171 310 A CA 1.555 53.468 52.037 -0.206 0.000 0.640 310 A CB -1.261 17.661 19.000 -0.130 0.000 0.811 310 A HN 0.534 nan 8.150 nan 0.000 0.451 311 F N -1.040 118.576 119.950 -0.557 0.000 2.134 311 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 311 F C 1.892 177.279 175.800 -0.688 0.000 1.097 311 F CA 1.716 59.251 58.000 -0.774 0.000 1.264 311 F CB -0.404 37.758 39.000 -1.397 0.000 1.001 311 F HN 0.414 nan 8.300 nan 0.000 0.479 312 W N 0.276 121.352 121.300 -0.374 0.000 2.481 312 W HA -0.003 4.657 4.660 -0.000 0.000 0.293 312 W C 2.496 178.737 176.519 -0.463 0.000 1.201 312 W CA 0.616 57.739 57.345 -0.370 0.000 1.328 312 W CB -0.713 28.593 29.460 -0.256 0.000 1.112 312 W HN -0.060 nan 8.180 nan 0.000 0.546 313 Q N -0.013 119.486 119.800 -0.501 0.000 2.181 313 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 313 Q C 2.366 178.264 176.000 -0.169 0.000 0.980 313 Q CA 1.430 56.979 55.803 -0.423 0.000 0.862 313 Q CB -0.720 27.760 28.738 -0.430 0.000 0.905 313 Q HN 0.405 nan 8.270 nan 0.000 0.429 314 G N 0.209 108.893 108.800 -0.195 0.000 2.679 314 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.212 314 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.212 314 G C 0.900 175.751 174.900 -0.082 0.000 1.137 314 G CA 0.119 45.138 45.100 -0.135 0.000 0.787 314 G HN 0.294 nan 8.290 nan 0.000 0.534 315 Q N -0.461 119.307 119.800 -0.052 0.000 2.159 315 Q HA 0.370 4.710 4.340 -0.000 0.000 0.217 315 Q C 0.632 176.742 176.000 0.184 0.000 0.818 315 Q CA -0.362 55.482 55.803 0.069 0.000 1.008 315 Q CB 1.340 30.110 28.738 0.054 0.000 1.148 315 Q HN 0.293 nan 8.270 nan 0.000 0.491 316 A N 1.472 124.389 122.820 0.162 0.000 2.671 316 A HA 0.206 4.526 4.320 -0.000 0.000 0.306 316 A C 0.924 178.624 177.584 0.194 0.000 1.473 316 A CA -0.112 52.055 52.037 0.217 0.000 1.155 316 A CB -0.311 18.832 19.000 0.237 0.000 1.123 316 A HN 0.405 nan 8.150 nan 0.000 0.545 317 L N 1.137 122.494 121.223 0.223 0.000 2.275 317 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 317 L C 2.049 179.033 176.870 0.190 0.000 1.119 317 L CA 1.057 56.020 54.840 0.205 0.000 0.790 317 L CB -0.497 41.707 42.059 0.240 0.000 0.919 317 L HN 0.777 nan 8.230 nan 0.000 0.443 318 D N 0.246 120.766 120.400 0.200 0.000 2.097 318 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 318 D C 1.803 178.178 176.300 0.125 0.000 0.989 318 D CA 1.164 55.255 54.000 0.150 0.000 0.827 318 D CB -0.281 40.627 40.800 0.181 0.000 0.966 318 D HN 0.161 nan 8.370 nan 0.000 0.456 319 K N 0.362 120.849 120.400 0.146 0.000 2.025 319 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 319 K C 2.365 179.023 176.600 0.097 0.000 1.049 319 K CA 0.364 56.722 56.287 0.119 0.000 0.933 319 K CB -0.399 32.178 32.500 0.128 0.000 0.714 319 K HN 0.263 nan 8.250 nan 0.000 0.438 320 I N 1.243 121.876 120.570 0.104 0.000 2.163 320 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 320 I C 2.455 178.629 176.117 0.095 0.000 1.085 320 I CA 0.898 62.253 61.300 0.091 0.000 1.347 320 I CB -1.064 36.992 38.000 0.093 0.000 1.044 320 I HN 0.062 nan 8.210 nan 0.000 0.408 321 L N 1.527 122.820 121.223 0.116 0.000 2.083 321 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 321 L C 2.562 179.494 176.870 0.104 0.000 1.083 321 L CA 2.033 56.950 54.840 0.130 0.000 0.752 321 L CB -0.887 41.284 42.059 0.187 0.000 0.899 321 L HN 0.198 nan 8.230 nan 0.000 0.433 322 A N -1.283 121.585 122.820 0.080 0.000 1.972 322 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 322 A C 2.159 179.774 177.584 0.051 0.000 1.169 322 A CA 1.732 53.800 52.037 0.052 0.000 0.635 322 A CB -0.483 18.537 19.000 0.033 0.000 0.810 322 A HN 0.664 nan 8.150 nan 0.000 0.446 323 Q N -1.124 118.711 119.800 0.058 0.000 2.230 323 Q HA -0.028 4.311 4.340 -0.000 0.000 0.202 323 Q C 1.894 177.926 176.000 0.053 0.000 0.963 323 Q CA 0.681 56.514 55.803 0.050 0.000 0.866 323 Q CB 0.008 28.777 28.738 0.050 0.000 0.931 323 Q HN 0.413 nan 8.270 nan 0.000 0.452 324 R N 0.929 121.468 120.500 0.064 0.000 2.246 324 R HA 0.072 4.412 4.340 -0.000 0.000 0.199 324 R C -0.038 176.302 176.300 0.066 0.000 0.984 324 R CA 0.221 56.360 56.100 0.066 0.000 1.015 324 R CB 0.010 30.357 30.300 0.078 0.000 0.930 324 R HN 0.147 nan 8.270 nan 0.000 0.475 325 K N 1.709 122.150 120.400 0.070 0.000 4.814 325 K HA -0.140 4.180 4.320 -0.000 0.000 0.295 325 K C -2.279 174.366 176.600 0.075 0.000 0.828 325 K CA 0.070 56.398 56.287 0.068 0.000 0.895 325 K CB -0.954 31.576 32.500 0.050 0.000 1.810 325 K HN 0.234 nan 8.250 nan 0.000 0.418 326 P HA -0.011 nan 4.420 nan 0.000 0.272 326 P C 0.498 177.841 177.300 0.072 0.000 1.240 326 P CA -0.007 63.145 63.100 0.086 0.000 0.791 326 P CB 0.728 32.492 31.700 0.108 0.000 0.978 327 T N -3.582 111.000 114.554 0.047 0.000 3.200 327 T HA 0.248 4.598 4.350 -0.000 0.000 0.284 327 T C 0.244 174.939 174.700 -0.009 0.000 1.009 327 T CA -0.318 61.800 62.100 0.030 0.000 0.907 327 T CB -0.545 68.338 68.868 0.025 0.000 1.120 327 T HN 0.070 nan 8.240 nan 0.000 0.534 328 V N 3.505 123.409 119.914 -0.017 0.000 2.465 328 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 328 V C -2.284 173.753 176.094 -0.095 0.000 1.045 328 V CA -2.186 60.059 62.300 -0.092 0.000 0.938 328 V CB 1.120 32.898 31.823 -0.075 0.000 0.986 328 V HN 0.244 nan 8.190 nan 0.000 0.467 329 P HA 0.160 nan 4.420 nan 0.000 0.264 329 P C -0.580 176.765 177.300 0.076 0.000 1.193 329 P CA 0.480 63.504 63.100 -0.127 0.000 0.763 329 P CB 0.287 31.585 31.700 -0.671 0.000 0.810 330 M N 3.120 122.862 119.600 0.235 0.000 2.465 330 M HA 0.432 4.911 4.480 -0.000 0.000 0.316 330 M C -0.873 175.494 176.300 0.113 0.000 1.121 330 M CA -0.885 54.485 55.300 0.118 0.000 0.934 330 M CB 2.100 34.695 32.600 -0.009 0.000 1.692 330 M HN 0.079 nan 8.290 nan 0.000 0.444 331 L N 3.005 124.208 121.223 -0.034 0.000 2.345 331 L HA 0.546 4.886 4.340 -0.000 0.000 0.274 331 L C -1.992 174.760 176.870 -0.196 0.000 0.999 331 L CA -0.039 54.725 54.840 -0.128 0.000 0.849 331 L CB 0.733 42.707 42.059 -0.143 0.000 1.220 331 L HN 0.617 nan 8.230 nan 0.000 0.422 332 W N 4.522 125.811 121.300 -0.019 0.000 2.417 332 W HA 0.606 5.266 4.660 -0.000 0.000 0.317 332 W C 0.387 176.828 176.519 -0.131 0.000 1.121 332 W CA -0.199 57.135 57.345 -0.018 0.000 1.208 332 W CB 1.078 30.574 29.460 0.059 0.000 1.253 332 W HN 0.406 nan 8.180 nan 0.000 0.533 333 E N 3.471 123.733 120.200 0.102 0.000 2.340 333 E HA 0.383 4.733 4.350 -0.000 0.000 0.273 333 E C -1.309 175.327 176.600 0.060 0.000 0.891 333 E CA -0.709 55.678 56.400 -0.021 0.000 0.757 333 E CB 2.267 31.866 29.700 -0.167 0.000 1.231 333 E HN 0.685 nan 8.360 nan 0.000 0.439 334 Q N 1.315 121.146 119.800 0.053 0.000 2.522 334 Q HA 0.651 4.991 4.340 -0.000 0.000 0.285 334 Q C -0.771 175.299 176.000 0.118 0.000 0.982 334 Q CA -1.135 54.731 55.803 0.106 0.000 0.805 334 Q CB 0.966 29.759 28.738 0.092 0.000 1.457 334 Q HN 0.474 nan 8.270 nan 0.000 0.394 335 G N 0.925 109.833 108.800 0.179 0.000 2.476 335 G HA2 0.382 4.342 3.960 -0.000 0.000 0.269 335 G HA3 0.382 4.342 3.960 -0.000 0.000 0.269 335 G C 0.290 175.138 174.900 -0.086 0.000 1.195 335 G CA -0.854 44.325 45.100 0.131 0.000 0.843 335 G HN 0.648 nan 8.290 nan 0.000 0.545 336 L N 0.222 121.258 121.223 -0.312 0.000 2.275 336 L HA 0.038 4.378 4.340 -0.000 0.000 0.215 336 L C 0.967 177.505 176.870 -0.554 0.000 1.119 336 L CA 0.662 55.176 54.840 -0.544 0.000 0.790 336 L CB 0.034 41.540 42.059 -0.922 0.000 0.919 336 L HN 0.541 nan 8.230 nan 0.000 0.443 337 W N 0.136 121.368 121.300 -0.113 0.000 1.931 337 W HA 0.216 4.876 4.660 -0.000 0.000 0.346 337 W C -0.069 176.392 176.519 -0.097 0.000 0.775 337 W CA -1.047 56.220 57.345 -0.129 0.000 2.738 337 W CB 0.044 29.416 29.460 -0.148 0.000 1.908 337 W HN -0.083 nan 8.180 nan 0.000 0.665 338 D N 2.366 122.834 120.400 0.114 0.000 2.346 338 D HA -0.042 4.598 4.640 -0.000 0.000 0.260 338 D C 1.500 177.843 176.300 0.071 0.000 1.252 338 D CA 0.529 54.619 54.000 0.149 0.000 0.895 338 D CB 1.127 42.040 40.800 0.188 0.000 1.097 338 D HN 0.147 nan 8.370 nan 0.000 0.489 339 Q N 2.760 122.551 119.800 -0.015 0.000 2.403 339 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 339 Q C 0.160 176.150 176.000 -0.017 0.000 0.932 339 Q CA 0.785 56.503 55.803 -0.142 0.000 0.945 339 Q CB 0.309 28.755 28.738 -0.485 0.000 1.045 339 Q HN 0.597 nan 8.270 nan 0.000 0.511 340 E N -0.095 120.081 120.200 -0.040 0.000 2.444 340 E HA 0.127 4.477 4.350 -0.000 0.000 0.209 340 E C -0.364 176.157 176.600 -0.132 0.000 0.806 340 E CA 0.090 56.403 56.400 -0.145 0.000 1.240 340 E CB 0.797 30.201 29.700 -0.494 0.000 1.238 340 E HN 0.228 nan 8.360 nan 0.000 0.591 341 D N 0.754 121.136 120.400 -0.031 0.000 2.656 341 D HA 0.108 4.748 4.640 -0.000 0.000 0.303 341 D C 0.214 176.620 176.300 0.177 0.000 1.199 341 D CA -0.007 54.045 54.000 0.086 0.000 0.797 341 D CB 1.193 42.078 40.800 0.143 0.000 1.170 341 D HN 0.025 nan 8.370 nan 0.000 0.509 342 M N 0.192 119.900 119.600 0.180 0.000 2.349 342 M HA 0.037 4.517 4.480 -0.000 0.000 0.266 342 M C 1.535 177.959 176.300 0.206 0.000 1.076 342 M CA 1.117 56.523 55.300 0.177 0.000 1.126 342 M CB 0.146 32.861 32.600 0.192 0.000 1.392 342 M HN 0.396 nan 8.290 nan 0.000 0.440 343 W N 0.236 121.540 121.300 0.007 0.000 2.481 343 W HA 0.092 4.751 4.660 -0.000 0.000 0.293 343 W C 1.663 178.283 176.519 0.169 0.000 1.201 343 W CA 1.413 58.789 57.345 0.050 0.000 1.328 343 W CB -0.833 28.510 29.460 -0.196 0.000 1.112 343 W HN 0.302 nan 8.180 nan 0.000 0.546 344 G N 1.610 110.631 108.800 0.367 0.000 2.863 344 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.217 344 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.217 344 G C 1.673 176.695 174.900 0.204 0.000 1.315 344 G CA 2.672 47.957 45.100 0.309 0.000 0.796 344 G HN 0.353 nan 8.290 nan 0.000 0.669 345 A N 0.256 123.209 122.820 0.222 0.000 1.873 345 A HA -0.102 4.217 4.320 -0.000 0.000 0.218 345 A C 2.512 180.098 177.584 0.004 0.000 1.193 345 A CA 1.995 54.162 52.037 0.217 0.000 0.629 345 A CB -0.550 18.616 19.000 0.277 0.000 0.826 345 A HN 0.584 nan 8.150 nan 0.000 0.447 346 I N -1.664 118.900 120.570 -0.009 0.000 2.226 346 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 346 I C 2.324 178.371 176.117 -0.116 0.000 1.100 346 I CA 1.959 63.228 61.300 -0.050 0.000 1.374 346 I CB -0.151 37.773 38.000 -0.126 0.000 1.057 346 I HN 0.497 nan 8.210 nan 0.000 0.413 347 H N 0.292 119.222 119.070 -0.233 0.000 2.395 347 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 347 H C 2.207 177.406 175.328 -0.215 0.000 1.070 347 H CA 1.396 57.273 56.048 -0.285 0.000 1.356 347 H CB -0.154 29.286 29.762 -0.538 0.000 1.401 347 H HN 0.441 nan 8.280 nan 0.000 0.524 348 A N 0.275 122.978 122.820 -0.195 0.000 1.898 348 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 348 A C 2.118 179.305 177.584 -0.661 0.000 1.181 348 A CA 1.347 53.112 52.037 -0.454 0.000 0.620 348 A CB -1.102 17.425 19.000 -0.788 0.000 0.819 348 A HN 0.675 nan 8.150 nan 0.000 0.442 349 W N 0.702 121.419 121.300 -0.972 0.000 2.355 349 W HA -0.235 4.425 4.660 -0.000 0.000 0.309 349 W C 2.198 178.529 176.519 -0.314 0.000 1.206 349 W CA 2.231 59.125 57.345 -0.753 0.000 1.284 349 W CB -0.308 28.834 29.460 -0.530 0.000 1.145 349 W HN 0.387 nan 8.180 nan 0.000 0.502 350 Q N 0.904 120.488 119.800 -0.360 0.000 2.124 350 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 350 Q C 2.235 177.999 176.000 -0.393 0.000 0.977 350 Q CA 2.658 58.137 55.803 -0.539 0.000 0.850 350 Q CB -0.890 27.704 28.738 -0.240 0.000 0.901 350 Q HN 0.310 nan 8.270 nan 0.000 0.429 351 A N -0.111 122.561 122.820 -0.248 0.000 1.933 351 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 351 A C 2.051 179.543 177.584 -0.154 0.000 1.175 351 A CA 1.345 53.297 52.037 -0.143 0.000 0.628 351 A CB -0.629 18.335 19.000 -0.060 0.000 0.814 351 A HN 0.450 nan 8.150 nan 0.000 0.444 352 L N -0.909 120.189 121.223 -0.209 0.000 2.109 352 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 352 L C 2.592 179.350 176.870 -0.187 0.000 1.086 352 L CA 1.598 56.357 54.840 -0.135 0.000 0.760 352 L CB -0.355 41.670 42.059 -0.057 0.000 0.910 352 L HN 0.426 nan 8.230 nan 0.000 0.437 353 K N 0.257 120.431 120.400 -0.376 0.000 2.057 353 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 353 K C 1.555 178.017 176.600 -0.230 0.000 1.049 353 K CA 1.762 57.824 56.287 -0.375 0.000 0.931 353 K CB 0.040 32.112 32.500 -0.713 0.000 0.714 353 K HN 0.198 nan 8.250 nan 0.000 0.440 354 D N 0.194 120.461 120.400 -0.221 0.000 2.219 354 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 354 D C 1.348 177.602 176.300 -0.077 0.000 0.970 354 D CA 1.051 54.973 54.000 -0.130 0.000 0.851 354 D CB 0.005 40.739 40.800 -0.111 0.000 0.943 354 D HN 0.327 nan 8.370 nan 0.000 0.488 355 A N 0.160 122.939 122.820 -0.069 0.000 2.238 355 A HA -0.042 4.278 4.320 -0.000 0.000 0.208 355 A C 0.503 178.074 177.584 -0.022 0.000 1.177 355 A CA 0.244 52.263 52.037 -0.030 0.000 0.804 355 A CB -0.063 18.929 19.000 -0.014 0.000 0.823 355 A HN 0.099 nan 8.150 nan 0.000 0.482 356 D N -0.405 119.972 120.400 -0.038 0.000 2.705 356 D HA -0.142 4.498 4.640 -0.000 0.000 0.240 356 D C 0.011 176.314 176.300 0.005 0.000 1.137 356 D CA 0.832 54.821 54.000 -0.018 0.000 0.677 356 D CB -1.314 39.482 40.800 -0.006 0.000 1.049 356 D HN 0.353 nan 8.370 nan 0.000 0.427 357 V N 1.690 121.608 119.914 0.006 0.000 2.788 357 V HA -0.063 4.057 4.120 -0.000 0.000 0.307 357 V C 0.847 176.974 176.094 0.055 0.000 1.069 357 V CA 0.551 62.875 62.300 0.039 0.000 1.173 357 V CB 0.993 32.852 31.823 0.060 0.000 0.925 357 V HN 0.116 nan 8.190 nan 0.000 0.492 358 K N 6.022 126.458 120.400 0.059 0.000 2.778 358 K HA 0.645 4.965 4.320 -0.000 0.000 0.238 358 K C -0.301 176.342 176.600 0.072 0.000 1.233 358 K CA 0.344 56.668 56.287 0.062 0.000 1.195 358 K CB 0.414 32.944 32.500 0.050 0.000 1.743 358 K HN 0.834 nan 8.250 nan 0.000 0.418 359 A N 1.069 123.946 122.820 0.094 0.000 2.590 359 A HA 0.501 4.821 4.320 -0.000 0.000 0.294 359 A C -2.968 174.712 177.584 0.159 0.000 1.046 359 A CA -1.223 50.876 52.037 0.103 0.000 0.684 359 A CB 0.847 19.889 19.000 0.070 0.000 1.279 359 A HN 0.064 nan 8.150 nan 0.000 0.415 360 P HA 0.248 nan 4.420 nan 0.000 0.264 360 P C -0.743 176.736 177.300 0.299 0.000 1.183 360 P CA 0.647 63.919 63.100 0.287 0.000 0.763 360 P CB 0.246 32.205 31.700 0.432 0.000 0.807 361 N N 1.322 120.215 118.700 0.320 0.000 2.594 361 N HA 0.266 5.006 4.740 -0.000 0.000 0.280 361 N C -1.656 174.182 175.510 0.546 0.000 1.156 361 N CA -0.310 53.002 53.050 0.438 0.000 0.831 361 N CB 0.842 39.540 38.487 0.352 0.000 1.379 361 N HN 0.069 nan 8.380 nan 0.000 0.536 362 T N 2.512 117.318 114.554 0.420 0.000 2.841 362 T HA 0.470 4.820 4.350 -0.000 0.000 0.283 362 T C -1.033 173.661 174.700 -0.010 0.000 1.000 362 T CA -0.446 61.781 62.100 0.212 0.000 0.977 362 T CB 1.234 70.089 68.868 -0.023 0.000 0.979 362 T HN 0.372 nan 8.240 nan 0.000 0.446 363 L N 4.362 125.284 121.223 -0.502 0.000 2.282 363 L HA 0.756 5.096 4.340 -0.000 0.000 0.288 363 L C -1.163 175.389 176.870 -0.529 0.000 1.033 363 L CA -0.390 53.996 54.840 -0.757 0.000 0.807 363 L CB 1.099 42.152 42.059 -1.677 0.000 1.209 363 L HN 0.439 nan 8.230 nan 0.000 0.423 364 V N 6.529 126.221 119.914 -0.369 0.000 2.444 364 V HA 0.546 4.666 4.120 -0.000 0.000 0.294 364 V C -0.181 175.734 176.094 -0.299 0.000 1.022 364 V CA -0.455 61.640 62.300 -0.342 0.000 0.850 364 V CB 1.557 33.165 31.823 -0.359 0.000 0.992 364 V HN 0.787 nan 8.190 nan 0.000 0.426 365 M N 3.905 123.305 119.600 -0.334 0.000 2.204 365 M HA 0.651 5.131 4.480 -0.000 0.000 0.293 365 M C 0.270 176.218 176.300 -0.587 0.000 0.994 365 M CA -0.217 54.853 55.300 -0.384 0.000 0.925 365 M CB 2.232 34.587 32.600 -0.408 0.000 1.577 365 M HN 0.763 nan 8.290 nan 0.000 0.439 366 G N 2.110 110.217 108.800 -1.155 0.000 2.667 366 G HA2 0.752 4.712 3.960 -0.000 0.000 0.310 366 G HA3 0.752 4.712 3.960 -0.000 0.000 0.310 366 G C -2.810 171.082 174.900 -1.680 0.000 1.259 366 G CA -1.360 42.517 45.100 -2.039 0.000 1.019 366 G HN 0.424 nan 8.290 nan 0.000 0.496 367 P HA 0.196 nan 4.420 nan 0.000 0.220 367 P C -1.069 175.866 177.300 -0.609 0.000 1.806 367 P CA -0.110 62.299 63.100 -1.152 0.000 0.976 367 P CB -0.101 30.397 31.700 -2.002 0.000 1.952 368 W N 2.176 123.436 121.300 -0.067 0.000 2.902 368 W HA 0.407 5.067 4.660 -0.000 0.000 0.346 368 W C 0.624 177.214 176.519 0.118 0.000 1.139 368 W CA -0.780 56.584 57.345 0.032 0.000 1.139 368 W CB 0.936 30.387 29.460 -0.016 0.000 1.439 368 W HN 0.059 nan 8.180 nan 0.000 0.558 369 R N -0.176 120.540 120.500 0.360 0.000 2.517 369 R HA 0.348 4.688 4.340 -0.000 0.000 0.250 369 R C -0.151 176.300 176.300 0.252 0.000 1.213 369 R CA -0.650 55.588 56.100 0.231 0.000 1.146 369 R CB -0.427 29.945 30.300 0.120 0.000 1.279 369 R HN 0.359 nan 8.270 nan 0.000 0.597 370 H N -0.127 119.013 119.070 0.116 0.000 3.046 370 H HA 0.084 4.640 4.556 -0.000 0.000 0.303 370 H C -0.271 175.152 175.328 0.158 0.000 1.002 370 H CA 1.461 57.590 56.048 0.134 0.000 1.460 370 H CB 0.083 29.919 29.762 0.122 0.000 1.493 370 H HN 0.695 nan 8.280 nan 0.000 0.559 371 S N 1.898 117.406 115.700 -0.320 0.000 3.127 371 S HA -0.236 4.234 4.470 -0.000 0.000 0.281 371 S C 1.869 176.472 174.600 0.006 0.000 1.293 371 S CA 0.887 58.968 58.200 -0.200 0.000 1.156 371 S CB -1.652 61.453 63.200 -0.158 0.000 1.389 371 S HN 1.022 nan 8.310 nan 0.000 0.672 372 G N 0.596 109.416 108.800 0.033 0.000 2.462 372 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 372 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 372 G C 1.241 175.892 174.900 -0.414 0.000 1.121 372 G CA 1.025 46.137 45.100 0.019 0.000 0.758 372 G HN 0.716 nan 8.290 nan 0.000 0.559 373 V N 1.046 120.504 119.914 -0.761 0.000 2.828 373 V HA -0.101 4.019 4.120 -0.000 0.000 0.260 373 V C 1.584 177.356 176.094 -0.536 0.000 1.101 373 V CA 1.791 63.420 62.300 -1.118 0.000 1.123 373 V CB -0.316 30.955 31.823 -0.920 0.000 0.704 373 V HN 0.350 nan 8.190 nan 0.000 0.493 374 N N -1.502 116.937 118.700 -0.435 0.000 2.235 374 N HA 0.175 4.914 4.740 -0.000 0.000 0.209 374 N C -0.221 174.783 175.510 -0.843 0.000 1.122 374 N CA 0.196 52.919 53.050 -0.546 0.000 0.845 374 N CB 0.446 38.572 38.487 -0.602 0.000 1.004 374 N HN 0.606 nan 8.380 nan 0.000 0.499 375 Y N -0.515 119.720 120.300 -0.109 0.000 3.345 375 Y HA 0.305 4.855 4.550 -0.000 0.000 0.279 375 Y C 0.529 176.408 175.900 -0.033 0.000 1.980 375 Y CA -1.152 56.918 58.100 -0.051 0.000 0.912 375 Y CB 0.194 38.634 38.460 -0.033 0.000 1.460 375 Y HN -0.229 nan 8.280 nan 0.000 0.605 376 N N 0.511 119.333 118.700 0.202 0.000 2.426 376 N HA 0.214 4.953 4.740 -0.000 0.000 0.275 376 N C -0.172 175.450 175.510 0.186 0.000 1.019 376 N CA 0.101 53.240 53.050 0.148 0.000 0.941 376 N CB 1.552 40.109 38.487 0.117 0.000 1.123 376 N HN 0.862 nan 8.380 nan 0.000 0.486 377 G N 1.721 110.667 108.800 0.242 0.000 3.820 377 G HA2 0.051 4.011 3.960 -0.000 0.000 0.293 377 G HA3 0.051 4.011 3.960 -0.000 0.000 0.293 377 G C 0.741 175.875 174.900 0.390 0.000 1.152 377 G CA -0.274 45.065 45.100 0.399 0.000 0.921 377 G HN 0.553 nan 8.290 nan 0.000 0.544 378 S N -0.043 115.825 115.700 0.279 0.000 2.414 378 S HA 0.061 4.531 4.470 -0.000 0.000 0.227 378 S C 1.434 176.128 174.600 0.155 0.000 1.022 378 S CA 1.124 59.455 58.200 0.218 0.000 0.958 378 S CB 0.152 63.421 63.200 0.115 0.000 0.797 378 S HN 0.711 nan 8.310 nan 0.000 0.493 379 T N -0.968 113.666 114.554 0.135 0.000 2.816 379 T HA 0.702 5.052 4.350 -0.000 0.000 0.299 379 T C -1.663 173.079 174.700 0.069 0.000 1.230 379 T CA -0.826 61.215 62.100 -0.098 0.000 1.007 379 T CB 1.866 70.658 68.868 -0.126 0.000 1.289 379 T HN -0.028 nan 8.240 nan 0.000 0.508 380 L N 1.241 122.408 121.223 -0.094 0.000 2.661 380 L HA 0.633 4.973 4.340 -0.000 0.000 0.263 380 L C 0.574 177.332 176.870 -0.188 0.000 0.956 380 L CA 1.477 56.300 54.840 -0.029 0.000 0.918 380 L CB 0.902 43.035 42.059 0.123 0.000 1.280 380 L HN 1.622 nan 8.230 nan 0.000 0.416 381 G N 5.665 114.383 108.800 -0.138 0.000 2.583 381 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.292 381 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.292 381 G C -1.719 173.079 174.900 -0.170 0.000 1.203 381 G CA 0.214 45.229 45.100 -0.143 0.000 0.987 381 G HN 0.613 nan 8.290 nan 0.000 0.554 382 P HA 0.243 nan 4.420 nan 0.000 0.245 382 P C 0.903 178.010 177.300 -0.323 0.000 1.206 382 P CA 0.290 63.255 63.100 -0.225 0.000 0.781 382 P CB 0.042 31.610 31.700 -0.219 0.000 0.994 383 L N 0.667 121.641 121.223 -0.414 0.000 2.426 383 L HA 0.206 4.546 4.340 -0.000 0.000 0.271 383 L C 0.597 177.013 176.870 -0.757 0.000 1.169 383 L CA 0.137 54.638 54.840 -0.565 0.000 0.836 383 L CB 0.230 41.912 42.059 -0.628 0.000 1.112 383 L HN -0.097 nan 8.230 nan 0.000 0.465 384 E N 2.270 122.042 120.200 -0.714 0.000 2.199 384 E HA 0.482 4.832 4.350 -0.000 0.000 0.265 384 E C -1.328 174.941 176.600 -0.552 0.000 0.882 384 E CA -0.522 55.526 56.400 -0.586 0.000 0.759 384 E CB 1.866 31.406 29.700 -0.268 0.000 1.148 384 E HN 0.203 nan 8.360 nan 0.000 0.412 385 F N 0.533 120.474 119.950 -0.014 0.000 2.518 385 F HA 0.280 4.807 4.527 -0.000 0.000 0.338 385 F C 1.004 176.834 175.800 0.050 0.000 1.065 385 F CA -1.108 56.894 58.000 0.003 0.000 1.012 385 F CB 0.686 39.581 39.000 -0.176 0.000 1.297 385 F HN 0.210 nan 8.300 nan 0.000 0.489 386 E N 1.749 122.148 120.200 0.332 0.000 1.802 386 E HA 0.386 4.736 4.350 -0.000 0.000 0.265 386 E C 0.540 177.276 176.600 0.227 0.000 1.168 386 E CA 0.179 56.721 56.400 0.236 0.000 1.033 386 E CB -0.159 29.680 29.700 0.233 0.000 1.095 386 E HN 0.779 nan 8.360 nan 0.000 0.436 387 G N 3.128 112.038 108.800 0.185 0.000 2.796 387 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.571 387 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.571 387 G C -0.351 174.681 174.900 0.219 0.000 1.370 387 G CA -0.551 44.659 45.100 0.184 0.000 0.856 387 G HN 0.491 nan 8.290 nan 0.000 0.538 388 D N 0.934 121.466 120.400 0.219 0.000 2.489 388 D HA 0.294 4.934 4.640 -0.000 0.000 0.237 388 D C 2.206 178.712 176.300 0.343 0.000 1.212 388 D CA 0.846 54.996 54.000 0.250 0.000 1.058 388 D CB -0.173 40.750 40.800 0.204 0.000 1.098 388 D HN 0.760 nan 8.370 nan 0.000 0.509 389 T N 0.563 115.343 114.554 0.376 0.000 2.803 389 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 389 T C 1.810 176.973 174.700 0.772 0.000 1.052 389 T CA 1.060 63.480 62.100 0.534 0.000 1.136 389 T CB -0.061 68.900 68.868 0.154 0.000 0.864 389 T HN 0.256 nan 8.240 nan 0.000 0.467 390 A N 1.388 124.568 122.820 0.600 0.000 1.872 390 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 390 A C 2.219 179.950 177.584 0.244 0.000 1.187 390 A CA 1.850 54.036 52.037 0.248 0.000 0.614 390 A CB -1.248 17.655 19.000 -0.161 0.000 0.826 390 A HN 0.704 nan 8.150 nan 0.000 0.442 391 H N -0.133 119.018 119.070 0.136 0.000 2.352 391 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 391 H C 2.134 177.507 175.328 0.075 0.000 1.097 391 H CA 2.282 58.370 56.048 0.066 0.000 1.311 391 H CB -0.245 29.547 29.762 0.051 0.000 1.377 391 H HN 0.589 nan 8.280 nan 0.000 0.504 392 Q N -1.018 118.856 119.800 0.124 0.000 2.077 392 Q HA -0.258 4.082 4.340 -0.000 0.000 0.206 392 Q C 2.117 178.074 176.000 -0.073 0.000 0.989 392 Q CA 2.024 57.851 55.803 0.040 0.000 0.853 392 Q CB -0.445 28.449 28.738 0.260 0.000 0.907 392 Q HN 0.677 nan 8.270 nan 0.000 0.418 393 Y N 1.166 121.425 120.300 -0.068 0.000 2.145 393 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 393 Y C 2.187 178.015 175.900 -0.120 0.000 1.145 393 Y CA 1.547 59.546 58.100 -0.168 0.000 1.148 393 Y CB 0.013 38.489 38.460 0.026 0.000 0.981 393 Y HN -0.073 nan 8.280 nan 0.000 0.507 394 R N -0.018 120.283 120.500 -0.332 0.000 2.091 394 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 394 R C 2.540 178.535 176.300 -0.508 0.000 1.136 394 R CA 1.930 57.783 56.100 -0.412 0.000 0.959 394 R CB -0.412 29.764 30.300 -0.207 0.000 0.856 394 R HN 0.392 nan 8.270 nan 0.000 0.437 395 R N 0.431 120.634 120.500 -0.494 0.000 2.100 395 R HA -0.079 4.261 4.340 -0.000 0.000 0.220 395 R C 0.800 176.911 176.300 -0.315 0.000 1.091 395 R CA 1.473 57.303 56.100 -0.449 0.000 0.986 395 R CB 0.234 30.218 30.300 -0.527 0.000 0.888 395 R HN 0.106 nan 8.270 nan 0.000 0.444 396 D N -0.727 119.507 120.400 -0.277 0.000 2.346 396 D HA 0.018 4.658 4.640 -0.000 0.000 0.206 396 D C 1.402 177.612 176.300 -0.150 0.000 1.001 396 D CA 0.543 54.433 54.000 -0.182 0.000 0.871 396 D CB 0.838 41.548 40.800 -0.149 0.000 0.943 396 D HN 0.091 nan 8.370 nan 0.000 0.518 397 V N -0.131 119.642 119.914 -0.235 0.000 3.054 397 V HA 0.018 4.138 4.120 -0.000 0.000 0.227 397 V C 1.690 177.721 176.094 -0.104 0.000 1.252 397 V CA -0.140 62.063 62.300 -0.162 0.000 1.279 397 V CB -0.099 31.620 31.823 -0.174 0.000 1.118 397 V HN -0.035 nan 8.190 nan 0.000 0.504 398 F N 2.416 121.988 119.950 -0.631 0.000 2.046 398 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 398 F C 2.580 178.260 175.800 -0.200 0.000 1.123 398 F CA 2.573 60.282 58.000 -0.485 0.000 1.199 398 F CB -0.595 37.908 39.000 -0.828 0.000 0.972 398 F HN 0.096 nan 8.300 nan 0.000 0.474 399 R N 0.757 121.076 120.500 -0.302 0.000 2.082 399 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 399 R C -0.800 175.486 176.300 -0.024 0.000 1.136 399 R CA 2.164 58.014 56.100 -0.416 0.000 0.935 399 R CB -1.921 28.007 30.300 -0.619 0.000 0.842 399 R HN 0.180 nan 8.270 nan 0.000 0.430 400 P HA -0.110 nan 4.420 nan 0.000 0.216 400 P C 1.023 178.435 177.300 0.186 0.000 1.150 400 P CA 1.197 64.337 63.100 0.066 0.000 0.837 400 P CB -0.217 31.501 31.700 0.030 0.000 0.786 401 F N -1.405 118.640 119.950 0.159 0.000 2.146 401 F HA -0.160 4.366 4.527 -0.000 0.000 0.298 401 F C 1.922 177.999 175.800 0.463 0.000 1.096 401 F CA 1.207 59.379 58.000 0.287 0.000 1.275 401 F CB -0.356 38.853 39.000 0.347 0.000 1.008 401 F HN -0.232 nan 8.300 nan 0.000 0.480 402 F N 1.144 121.244 119.950 0.250 0.000 2.146 402 F HA -0.146 4.380 4.527 -0.000 0.000 0.298 402 F C 2.212 178.116 175.800 0.173 0.000 1.096 402 F CA 1.444 59.577 58.000 0.222 0.000 1.275 402 F CB -1.005 38.210 39.000 0.358 0.000 1.008 402 F HN -0.049 nan 8.300 nan 0.000 0.480 403 D N -0.146 120.439 120.400 0.309 0.000 2.144 403 D HA -0.201 4.439 4.640 -0.000 0.000 0.199 403 D C 2.179 178.454 176.300 -0.042 0.000 0.984 403 D CA 1.184 55.279 54.000 0.158 0.000 0.834 403 D CB -0.397 40.469 40.800 0.111 0.000 0.955 403 D HN 0.403 nan 8.370 nan 0.000 0.465 404 E N -0.650 119.442 120.200 -0.180 0.000 2.118 404 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 404 E C 1.247 177.505 176.600 -0.569 0.000 0.992 404 E CA 1.067 57.196 56.400 -0.452 0.000 0.804 404 E CB -0.040 29.219 29.700 -0.735 0.000 0.741 404 E HN 0.445 nan 8.360 nan 0.000 0.458 405 Y N -0.846 119.338 120.300 -0.194 0.000 2.497 405 Y HA 0.189 4.738 4.550 -0.000 0.000 0.265 405 Y C 1.740 177.534 175.900 -0.177 0.000 1.111 405 Y CA -0.012 57.961 58.100 -0.211 0.000 1.288 405 Y CB 0.538 38.805 38.460 -0.322 0.000 1.082 405 Y HN -0.001 nan 8.280 nan 0.000 0.536 406 L N -0.650 120.558 121.223 -0.025 0.000 2.575 406 L HA 0.170 4.509 4.340 -0.000 0.000 0.228 406 L C 0.186 176.995 176.870 -0.102 0.000 1.075 406 L CA 0.491 55.297 54.840 -0.057 0.000 0.867 406 L CB 0.339 42.397 42.059 -0.001 0.000 1.097 406 L HN -0.142 nan 8.230 nan 0.000 0.485 407 K N 1.200 121.549 120.400 -0.084 0.000 2.562 407 K HA 0.314 4.634 4.320 -0.000 0.000 0.206 407 K C -2.458 174.090 176.600 -0.088 0.000 1.033 407 K CA -1.836 54.392 56.287 -0.099 0.000 1.029 407 K CB 1.216 33.668 32.500 -0.080 0.000 1.393 407 K HN -0.216 nan 8.250 nan 0.000 0.539 408 P HA -0.129 nan 4.420 nan 0.000 0.261 408 P C 0.803 178.062 177.300 -0.069 0.000 1.165 408 P CA 1.259 64.314 63.100 -0.077 0.000 0.759 408 P CB 0.600 32.261 31.700 -0.066 0.000 0.772 409 G N 1.569 110.328 108.800 -0.069 0.000 2.213 409 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.236 409 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.236 409 G C 0.403 175.266 174.900 -0.062 0.000 0.991 409 G CA -0.055 45.010 45.100 -0.058 0.000 0.629 409 G HN 0.580 nan 8.290 nan 0.000 0.517 410 S N 0.966 116.620 115.700 -0.077 0.000 2.585 410 S HA 0.612 5.082 4.470 -0.000 0.000 0.273 410 S C 0.936 175.484 174.600 -0.088 0.000 1.339 410 S CA 0.200 58.355 58.200 -0.074 0.000 1.028 410 S CB 1.377 64.531 63.200 -0.076 0.000 0.906 410 S HN 1.616 nan 8.310 nan 0.000 0.528 411 A N 2.724 125.504 122.820 -0.067 0.000 2.531 411 A HA 0.355 4.675 4.320 -0.000 0.000 0.236 411 A C 0.591 178.113 177.584 -0.103 0.000 1.062 411 A CA -0.186 51.814 52.037 -0.063 0.000 0.760 411 A CB -0.019 18.959 19.000 -0.037 0.000 0.995 411 A HN 0.673 nan 8.150 nan 0.000 0.501 412 S N -0.296 115.336 115.700 -0.113 0.000 2.584 412 S HA 0.488 4.958 4.470 -0.000 0.000 0.273 412 S C 0.178 174.662 174.600 -0.193 0.000 1.311 412 S CA -0.128 57.950 58.200 -0.203 0.000 1.034 412 S CB 1.075 64.149 63.200 -0.211 0.000 0.939 412 S HN 1.350 nan 8.310 nan 0.000 0.513 413 V N 0.921 120.690 119.914 -0.240 0.000 2.769 413 V HA 0.607 4.727 4.120 -0.000 0.000 0.312 413 V C -0.898 175.043 176.094 -0.254 0.000 1.061 413 V CA -0.698 61.537 62.300 -0.108 0.000 0.931 413 V CB 1.654 33.527 31.823 0.084 0.000 1.010 413 V HN 0.911 nan 8.190 nan 0.000 0.433 414 H N 4.558 123.709 119.070 0.134 0.000 2.541 414 H HA 0.473 5.029 4.556 -0.000 0.000 0.246 414 H C -0.573 174.847 175.328 0.154 0.000 1.341 414 H CA -0.308 55.827 56.048 0.144 0.000 1.469 414 H CB 1.274 31.096 29.762 0.101 0.000 1.472 414 H HN 0.585 nan 8.280 nan 0.000 0.503 415 L N 3.948 125.317 121.223 0.242 0.000 2.417 415 L HA 0.208 4.548 4.340 -0.000 0.000 0.268 415 L C -1.363 175.628 176.870 0.202 0.000 1.158 415 L CA -1.507 53.448 54.840 0.192 0.000 0.819 415 L CB 0.398 42.503 42.059 0.077 0.000 1.112 415 L HN 0.317 nan 8.230 nan 0.000 0.458 416 P HA 0.155 nan 4.420 nan 0.000 0.302 416 P C -0.194 177.226 177.300 0.199 0.000 1.307 416 P CA -0.433 62.787 63.100 0.201 0.000 0.754 416 P CB 0.882 32.709 31.700 0.212 0.000 1.298 417 D N -0.948 119.609 120.400 0.262 0.000 2.117 417 D HA 0.066 4.706 4.640 -0.000 0.000 0.197 417 D C 0.518 176.951 176.300 0.221 0.000 0.987 417 D CA 1.483 55.713 54.000 0.384 0.000 0.829 417 D CB -0.259 40.847 40.800 0.510 0.000 0.961 417 D HN 0.512 nan 8.370 nan 0.000 0.460 418 A N -0.518 122.334 122.820 0.053 0.000 2.520 418 A HA 0.636 4.956 4.320 -0.000 0.000 0.298 418 A C -1.254 176.148 177.584 -0.303 0.000 1.051 418 A CA -0.590 51.274 52.037 -0.288 0.000 0.690 418 A CB 1.257 19.889 19.000 -0.613 0.000 1.281 418 A HN 0.038 nan 8.150 nan 0.000 0.402 419 I N 2.968 123.287 120.570 -0.419 0.000 2.390 419 I HA 0.418 4.588 4.170 -0.000 0.000 0.283 419 I C -0.987 174.945 176.117 -0.308 0.000 1.016 419 I CA -0.046 60.958 61.300 -0.495 0.000 1.151 419 I CB 0.940 38.565 38.000 -0.624 0.000 1.293 419 I HN 0.468 nan 8.210 nan 0.000 0.458 420 I N 5.501 125.909 120.570 -0.269 0.000 2.545 420 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 420 I C -0.722 175.245 176.117 -0.250 0.000 1.040 420 I CA -0.984 60.158 61.300 -0.263 0.000 1.068 420 I CB 2.159 39.901 38.000 -0.429 0.000 1.251 420 I HN 0.373 nan 8.210 nan 0.000 0.424 421 Y N 5.762 125.659 120.300 -0.671 0.000 2.346 421 Y HA 0.172 4.722 4.550 -0.000 0.000 0.330 421 Y C 0.340 175.879 175.900 -0.601 0.000 1.178 421 Y CA 0.150 57.644 58.100 -1.010 0.000 1.331 421 Y CB 0.662 38.185 38.460 -1.562 0.000 1.253 421 Y HN 0.510 nan 8.280 nan 0.000 0.529 422 N N 3.349 121.477 118.700 -0.953 0.000 2.426 422 N HA 0.034 4.774 4.740 -0.000 0.000 0.257 422 N C 0.371 175.568 175.510 -0.521 0.000 1.002 422 N CA 0.266 52.977 53.050 -0.566 0.000 0.942 422 N CB 1.285 39.502 38.487 -0.450 0.000 1.112 422 N HN 0.884 nan 8.380 nan 0.000 0.499 423 T N -0.140 114.318 114.554 -0.160 0.000 3.160 423 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 423 T C 1.346 176.083 174.700 0.062 0.000 1.147 423 T CA 0.583 62.764 62.100 0.134 0.000 1.064 423 T CB 0.214 69.244 68.868 0.271 0.000 0.949 423 T HN 0.439 nan 8.240 nan 0.000 0.526 424 G N 1.115 109.747 108.800 -0.280 0.000 2.789 424 G HA2 0.088 4.048 3.960 -0.000 0.000 0.207 424 G HA3 0.088 4.048 3.960 -0.000 0.000 0.207 424 G C 1.062 175.796 174.900 -0.277 0.000 1.153 424 G CA 0.022 44.837 45.100 -0.475 0.000 0.847 424 G HN 0.372 nan 8.290 nan 0.000 0.615 425 D N 0.827 121.059 120.400 -0.279 0.000 2.348 425 D HA 0.057 4.697 4.640 -0.000 0.000 0.216 425 D C 0.544 176.708 176.300 -0.227 0.000 0.970 425 D CA 0.351 54.219 54.000 -0.221 0.000 0.889 425 D CB 0.103 40.776 40.800 -0.212 0.000 0.912 425 D HN 0.123 nan 8.370 nan 0.000 0.524 426 Q N -0.499 119.118 119.800 -0.305 0.000 2.459 426 Q HA -0.226 4.114 4.340 -0.000 0.000 0.322 426 Q C -0.399 175.346 176.000 -0.425 0.000 1.427 426 Q CA 0.915 56.548 55.803 -0.283 0.000 0.861 426 Q CB -2.014 26.732 28.738 0.014 0.000 1.137 426 Q HN 0.589 nan 8.270 nan 0.000 0.394 427 K N -2.663 117.223 120.400 -0.856 0.000 2.607 427 K HA 0.609 4.929 4.320 -0.000 0.000 0.287 427 K C -1.263 174.892 176.600 -0.741 0.000 0.996 427 K CA -1.038 54.919 56.287 -0.551 0.000 0.876 427 K CB 0.717 33.087 32.500 -0.217 0.000 1.496 427 K HN -0.023 nan 8.250 nan 0.000 0.415 428 W N 1.631 122.795 121.300 -0.226 0.000 2.287 428 W HA 0.277 4.937 4.660 -0.000 0.000 0.313 428 W C -0.520 175.884 176.519 -0.192 0.000 1.267 428 W CA 0.253 57.494 57.345 -0.174 0.000 1.201 428 W CB 0.965 30.428 29.460 0.006 0.000 1.196 428 W HN 0.373 nan 8.180 nan 0.000 0.536 429 D N 2.412 122.753 120.400 -0.099 0.000 2.217 429 D HA 0.182 4.822 4.640 -0.000 0.000 0.243 429 D C -1.250 174.767 176.300 -0.471 0.000 1.054 429 D CA -0.615 53.174 54.000 -0.352 0.000 0.838 429 D CB 1.114 41.515 40.800 -0.665 0.000 1.162 429 D HN 0.241 nan 8.370 nan 0.000 0.472 430 Y N 1.688 121.737 120.300 -0.419 0.000 2.417 430 Y HA 0.245 4.795 4.550 -0.000 0.000 0.336 430 Y C -0.345 175.380 175.900 -0.291 0.000 0.961 430 Y CA -0.740 57.198 58.100 -0.269 0.000 1.215 430 Y CB 0.647 39.035 38.460 -0.120 0.000 1.120 430 Y HN 0.274 nan 8.280 nan 0.000 0.499 431 Y N 3.361 123.699 120.300 0.063 0.000 2.385 431 Y HA 0.267 4.817 4.550 -0.000 0.000 0.341 431 Y C 1.471 177.468 175.900 0.162 0.000 0.965 431 Y CA -0.721 57.451 58.100 0.120 0.000 1.180 431 Y CB 1.095 39.638 38.460 0.138 0.000 1.139 431 Y HN 0.613 nan 8.280 nan 0.000 0.502 432 R N 1.281 121.973 120.500 0.320 0.000 2.080 432 R HA -0.080 4.260 4.340 -0.000 0.000 0.236 432 R C -0.175 176.284 176.300 0.264 0.000 1.137 432 R CA 1.324 57.572 56.100 0.247 0.000 0.943 432 R CB 0.094 30.509 30.300 0.190 0.000 0.846 432 R HN 0.493 nan 8.270 nan 0.000 0.431 433 S N -1.187 114.680 115.700 0.277 0.000 2.502 433 S HA 0.398 4.867 4.470 -0.000 0.000 0.304 433 S C -1.807 172.988 174.600 0.325 0.000 1.097 433 S CA -0.606 57.745 58.200 0.252 0.000 1.045 433 S CB 1.855 65.143 63.200 0.146 0.000 1.019 433 S HN 0.371 nan 8.310 nan 0.000 0.481 434 W N 4.500 125.881 121.300 0.135 0.000 3.425 434 W HA 0.528 5.187 4.660 -0.000 0.000 0.318 434 W C -2.991 173.626 176.519 0.164 0.000 1.201 434 W CA -1.572 55.811 57.345 0.063 0.000 1.212 434 W CB 1.116 30.605 29.460 0.048 0.000 1.355 434 W HN 0.407 nan 8.180 nan 0.000 0.515 435 P HA 0.211 nan 4.420 nan 0.000 0.276 435 P C 0.306 177.285 177.300 -0.535 0.000 1.261 435 P CA -0.074 62.233 63.100 -1.321 0.000 0.800 435 P CB 1.396 32.271 31.700 -1.376 0.000 1.066 436 S N -1.056 114.379 115.700 -0.442 0.000 2.517 436 S HA 0.206 4.675 4.470 -0.000 0.000 0.214 436 S C 0.562 175.047 174.600 -0.191 0.000 0.991 436 S CA 0.080 58.151 58.200 -0.216 0.000 0.906 436 S CB -0.690 62.428 63.200 -0.137 0.000 0.789 436 S HN 0.405 nan 8.310 nan 0.000 0.513 437 V N -0.585 119.180 119.914 -0.248 0.000 2.841 437 V HA 0.915 5.035 4.120 -0.000 0.000 0.310 437 V C -0.359 175.609 176.094 -0.209 0.000 1.090 437 V CA -0.793 61.399 62.300 -0.180 0.000 0.930 437 V CB 0.564 32.306 31.823 -0.135 0.000 1.014 437 V HN 0.902 nan 8.190 nan 0.000 0.425 438 C N 1.524 120.735 119.300 -0.148 0.000 3.253 438 C HA 0.553 5.013 4.460 -0.000 0.000 0.362 438 C C 1.029 175.975 174.990 -0.074 0.000 1.487 438 C CA 0.088 59.025 59.018 -0.134 0.000 1.179 438 C CB 1.106 28.747 27.740 -0.166 0.000 1.660 438 C HN 0.990 nan 8.230 nan 0.000 0.438 439 E N 1.164 121.337 120.200 -0.045 0.000 2.150 439 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 439 E C 0.763 177.358 176.600 -0.009 0.000 0.985 439 E CA 1.870 58.267 56.400 -0.005 0.000 0.814 439 E CB 0.071 29.797 29.700 0.044 0.000 0.752 439 E HN 0.868 nan 8.360 nan 0.000 0.466 440 S N -1.323 114.363 115.700 -0.024 0.000 2.570 440 S HA 0.276 4.746 4.470 -0.000 0.000 0.270 440 S C -0.494 174.083 174.600 -0.037 0.000 1.149 440 S CA -0.824 57.363 58.200 -0.023 0.000 0.837 440 S CB 1.259 64.453 63.200 -0.009 0.000 1.124 440 S HN 0.289 nan 8.310 nan 0.000 0.465 441 N N -0.552 118.129 118.700 -0.033 0.000 2.727 441 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 441 N C -0.692 174.786 175.510 -0.053 0.000 1.048 441 N CA 0.689 53.716 53.050 -0.038 0.000 0.714 441 N CB -1.591 36.874 38.487 -0.036 0.000 0.959 441 N HN 0.678 nan 8.380 nan 0.000 0.544 442 C N -1.706 117.560 119.300 -0.056 0.000 3.044 442 C HA 0.349 4.809 4.460 -0.000 0.000 0.315 442 C C 2.206 177.164 174.990 -0.053 0.000 1.320 442 C CA -0.488 58.487 59.018 -0.070 0.000 1.582 442 C CB 1.699 29.376 27.740 -0.104 0.000 2.039 442 C HN 0.448 nan 8.230 nan 0.000 0.466 443 T N 0.693 115.214 114.554 -0.055 0.000 2.788 443 T HA 0.106 4.456 4.350 -0.000 0.000 0.268 443 T C 0.703 175.380 174.700 -0.040 0.000 1.044 443 T CA 1.732 63.809 62.100 -0.038 0.000 1.139 443 T CB -0.178 68.671 68.868 -0.033 0.000 0.867 443 T HN 0.932 nan 8.240 nan 0.000 0.454 444 G N -0.966 107.801 108.800 -0.055 0.000 2.733 444 G HA2 0.623 4.583 3.960 -0.000 0.000 0.288 444 G HA3 0.623 4.583 3.960 -0.000 0.000 0.288 444 G C -0.604 174.263 174.900 -0.056 0.000 1.373 444 G CA -0.331 44.740 45.100 -0.049 0.000 0.895 444 G HN 0.355 nan 8.290 nan 0.000 0.479 445 G N -1.327 107.448 108.800 -0.042 0.000 2.601 445 G HA2 0.560 4.519 3.960 -0.000 0.000 0.317 445 G HA3 0.560 4.519 3.960 -0.000 0.000 0.317 445 G C -0.938 173.938 174.900 -0.040 0.000 1.246 445 G CA -0.657 44.421 45.100 -0.037 0.000 1.012 445 G HN 0.463 nan 8.290 nan 0.000 0.494 446 L N 0.033 121.236 121.223 -0.033 0.000 2.436 446 L HA 0.417 4.757 4.340 -0.000 0.000 0.265 446 L C 0.842 177.706 176.870 -0.010 0.000 1.168 446 L CA -0.061 54.761 54.840 -0.030 0.000 0.815 446 L CB 1.318 43.355 42.059 -0.037 0.000 1.109 446 L HN 0.358 nan 8.230 nan 0.000 0.462 447 T N 3.811 118.367 114.554 0.005 0.000 2.756 447 T HA 0.416 4.766 4.350 -0.000 0.000 0.290 447 T C -2.461 172.265 174.700 0.043 0.000 0.985 447 T CA -1.215 60.912 62.100 0.044 0.000 0.955 447 T CB 1.293 70.188 68.868 0.046 0.000 0.930 447 T HN 0.300 nan 8.240 nan 0.000 0.451 448 P HA 0.271 nan 4.420 nan 0.000 0.271 448 P C -0.870 176.211 177.300 -0.366 0.000 1.216 448 P CA -0.730 62.169 63.100 -0.335 0.000 0.771 448 P CB 0.511 31.796 31.700 -0.693 0.000 0.864 449 L N 5.314 126.253 121.223 -0.472 0.000 2.295 449 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 449 L C -1.310 175.266 176.870 -0.490 0.000 1.018 449 L CA -0.769 53.730 54.840 -0.568 0.000 0.841 449 L CB -0.186 41.527 42.059 -0.576 0.000 1.218 449 L HN 0.213 nan 8.230 nan 0.000 0.424 450 Y N 4.587 124.731 120.300 -0.260 0.000 2.304 450 Y HA 0.419 4.969 4.550 -0.000 0.000 0.328 450 Y C 0.119 175.863 175.900 -0.260 0.000 1.123 450 Y CA -0.591 57.369 58.100 -0.233 0.000 1.218 450 Y CB 0.855 39.187 38.460 -0.215 0.000 1.207 450 Y HN 0.373 nan 8.280 nan 0.000 0.495 451 L N 2.885 124.024 121.223 -0.140 0.000 2.439 451 L HA 0.497 4.837 4.340 -0.000 0.000 0.269 451 L C 0.351 177.082 176.870 -0.232 0.000 1.179 451 L CA 0.278 54.911 54.840 -0.345 0.000 0.828 451 L CB 0.174 41.841 42.059 -0.653 0.000 1.106 451 L HN 0.852 nan 8.230 nan 0.000 0.467 452 A N 1.731 124.376 122.820 -0.292 0.000 2.552 452 A HA 0.465 4.785 4.320 -0.000 0.000 0.288 452 A C -0.794 176.474 177.584 -0.527 0.000 1.193 452 A CA -0.732 51.100 52.037 -0.342 0.000 0.713 452 A CB 0.669 19.590 19.000 -0.131 0.000 1.305 452 A HN 0.600 nan 8.150 nan 0.000 0.424 453 D N -0.489 119.685 120.400 -0.376 0.000 2.390 453 D HA 0.342 4.982 4.640 -0.000 0.000 0.236 453 D C 1.337 177.563 176.300 -0.124 0.000 1.189 453 D CA 2.073 55.941 54.000 -0.221 0.000 0.887 453 D CB 0.510 41.289 40.800 -0.035 0.000 1.198 453 D HN 1.487 nan 8.370 nan 0.000 0.444 454 G N 1.768 110.525 108.800 -0.073 0.000 2.203 454 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 454 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 454 G C 0.341 175.291 174.900 0.083 0.000 1.012 454 G CA 1.014 46.130 45.100 0.026 0.000 0.749 454 G HN 0.852 nan 8.290 nan 0.000 0.512 455 H N -2.261 116.747 119.070 -0.103 0.000 2.770 455 H HA -0.078 4.478 4.556 -0.000 0.000 0.309 455 H C 1.467 176.792 175.328 -0.005 0.000 1.206 455 H CA 1.905 57.842 56.048 -0.185 0.000 1.147 455 H CB -1.357 28.201 29.762 -0.340 0.000 1.422 455 H HN 1.304 nan 8.280 nan 0.000 0.420 456 G N -0.617 108.251 108.800 0.114 0.000 2.552 456 G HA2 0.706 4.666 3.960 -0.000 0.000 0.318 456 G HA3 0.706 4.666 3.960 -0.000 0.000 0.318 456 G C -0.652 174.288 174.900 0.068 0.000 1.240 456 G CA -0.886 44.257 45.100 0.072 0.000 1.002 456 G HN 0.167 nan 8.290 nan 0.000 0.493 457 L N -0.047 121.169 121.223 -0.013 0.000 2.455 457 L HA 0.656 4.995 4.340 -0.000 0.000 0.264 457 L C -0.381 176.408 176.870 -0.136 0.000 0.968 457 L CA -0.692 54.087 54.840 -0.101 0.000 0.827 457 L CB 2.429 44.401 42.059 -0.145 0.000 1.317 457 L HN 0.645 nan 8.230 nan 0.000 0.407 458 S N 0.658 116.261 115.700 -0.161 0.000 2.550 458 S HA 0.521 4.991 4.470 -0.000 0.000 0.270 458 S C -0.148 174.384 174.600 -0.113 0.000 1.145 458 S CA -0.468 57.665 58.200 -0.112 0.000 0.852 458 S CB 1.122 64.324 63.200 0.003 0.000 1.119 458 S HN 0.453 nan 8.310 nan 0.000 0.465 459 F N 1.584 121.589 119.950 0.092 0.000 2.780 459 F HA 0.169 4.696 4.527 -0.000 0.000 0.299 459 F C 1.437 177.382 175.800 0.241 0.000 1.146 459 F CA 0.277 58.356 58.000 0.131 0.000 1.428 459 F CB 0.302 39.337 39.000 0.057 0.000 1.115 459 F HN 0.385 nan 8.300 nan 0.000 0.583 460 T N -0.793 113.943 114.554 0.303 0.000 2.817 460 T HA 0.032 4.382 4.350 -0.000 0.000 0.293 460 T C -0.475 174.228 174.700 0.006 0.000 0.964 460 T CA -0.359 61.846 62.100 0.174 0.000 1.085 460 T CB 0.297 69.221 68.868 0.093 0.000 0.921 460 T HN 0.141 nan 8.240 nan 0.000 0.502 461 H N 4.867 123.735 119.070 -0.336 0.000 3.017 461 H HA 0.230 4.786 4.556 -0.000 0.000 0.276 461 H C -2.142 172.917 175.328 -0.448 0.000 1.062 461 H CA -1.682 53.809 56.048 -0.929 0.000 1.486 461 H CB 0.275 29.619 29.762 -0.697 0.000 1.507 461 H HN 0.292 nan 8.280 nan 0.000 0.508 462 P HA 0.043 nan 4.420 nan 0.000 0.271 462 P C -0.043 177.305 177.300 0.080 0.000 1.220 462 P CA -0.054 63.024 63.100 -0.036 0.000 0.768 462 P CB 1.339 33.013 31.700 -0.044 0.000 0.848 463 A N 3.478 126.312 122.820 0.023 0.000 1.897 463 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 463 A C 1.213 178.795 177.584 -0.004 0.000 1.181 463 A CA 1.351 53.381 52.037 -0.011 0.000 0.620 463 A CB -0.954 18.021 19.000 -0.041 0.000 0.821 463 A HN 0.629 nan 8.150 nan 0.000 0.443 464 A N 0.277 123.096 122.820 -0.002 0.000 2.304 464 A HA 0.466 4.786 4.320 -0.000 0.000 0.271 464 A C -0.439 177.132 177.584 -0.022 0.000 1.091 464 A CA -0.500 51.531 52.037 -0.011 0.000 0.812 464 A CB 0.171 19.164 19.000 -0.011 0.000 1.056 464 A HN 0.452 nan 8.150 nan 0.000 0.489 465 D N -0.216 120.163 120.400 -0.035 0.000 2.283 465 D HA 0.543 5.182 4.640 -0.000 0.000 0.248 465 D C 0.220 176.331 176.300 -0.316 0.000 1.072 465 D CA 0.778 54.732 54.000 -0.078 0.000 0.929 465 D CB 1.764 42.620 40.800 0.093 0.000 1.182 465 D HN 0.783 nan 8.370 nan 0.000 0.433 466 G N -0.991 107.301 108.800 -0.847 0.000 2.576 466 G HA2 0.602 4.562 3.960 -0.000 0.000 0.290 466 G HA3 0.602 4.562 3.960 -0.000 0.000 0.290 466 G C -2.001 172.136 174.900 -1.272 0.000 1.442 466 G CA -0.477 44.063 45.100 -0.934 0.000 0.792 466 G HN 0.595 nan 8.290 nan 0.000 0.491 467 A N 0.302 122.758 122.820 -0.607 0.000 2.574 467 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 467 A C -1.991 175.610 177.584 0.028 0.000 1.062 467 A CA -0.674 51.203 52.037 -0.267 0.000 0.686 467 A CB 2.066 20.990 19.000 -0.126 0.000 1.285 467 A HN 0.483 nan 8.150 nan 0.000 0.403 468 D N 1.115 121.607 120.400 0.153 0.000 2.498 468 D HA 0.648 5.288 4.640 -0.000 0.000 0.247 468 D C -0.535 175.898 176.300 0.222 0.000 1.070 468 D CA 0.047 54.155 54.000 0.181 0.000 0.842 468 D CB 2.123 43.026 40.800 0.172 0.000 1.361 468 D HN 0.383 nan 8.370 nan 0.000 0.484 469 S N 1.000 116.817 115.700 0.196 0.000 2.621 469 S HA 0.764 5.234 4.470 -0.000 0.000 0.302 469 S C -0.808 173.948 174.600 0.259 0.000 1.093 469 S CA -0.836 57.465 58.200 0.169 0.000 1.017 469 S CB 1.261 64.516 63.200 0.091 0.000 1.077 469 S HN 0.485 nan 8.310 nan 0.000 0.517 470 Y N -2.042 118.339 120.300 0.136 0.000 2.552 470 Y HA 0.731 5.281 4.550 -0.000 0.000 0.337 470 Y C -1.454 174.508 175.900 0.102 0.000 1.094 470 Y CA -1.427 56.740 58.100 0.112 0.000 1.028 470 Y CB 0.344 38.875 38.460 0.119 0.000 1.321 470 Y HN 0.317 nan 8.280 nan 0.000 0.456 471 V N 2.719 122.732 119.914 0.165 0.000 2.432 471 V HA 0.420 4.540 4.120 -0.000 0.000 0.275 471 V C -0.078 176.108 176.094 0.153 0.000 1.043 471 V CA -0.343 62.006 62.300 0.082 0.000 0.925 471 V CB 1.317 33.187 31.823 0.079 0.000 0.985 471 V HN 0.823 nan 8.190 nan 0.000 0.466 472 S N 3.473 119.222 115.700 0.081 0.000 2.461 472 S HA 0.307 4.777 4.470 -0.000 0.000 0.322 472 S C -0.713 173.936 174.600 0.082 0.000 1.063 472 S CA -0.650 57.618 58.200 0.114 0.000 1.120 472 S CB 0.366 63.601 63.200 0.058 0.000 0.968 472 S HN 0.827 nan 8.310 nan 0.000 0.467 473 D N 5.476 125.942 120.400 0.110 0.000 2.392 473 D HA 0.444 5.084 4.640 -0.000 0.000 0.228 473 D C -1.808 174.533 176.300 0.069 0.000 1.074 473 D CA -2.281 51.783 54.000 0.107 0.000 0.838 473 D CB 1.889 42.792 40.800 0.173 0.000 1.067 473 D HN 0.210 nan 8.370 nan 0.000 0.511 474 P HA -0.041 nan 4.420 nan 0.000 0.223 474 P C 0.825 178.009 177.300 -0.193 0.000 1.144 474 P CA 0.710 63.783 63.100 -0.045 0.000 0.783 474 P CB 0.271 32.019 31.700 0.080 0.000 0.771 475 A N -1.431 121.286 122.820 -0.172 0.000 2.119 475 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 475 A C 0.473 177.732 177.584 -0.541 0.000 1.153 475 A CA 1.058 52.880 52.037 -0.359 0.000 0.692 475 A CB -1.070 17.727 19.000 -0.340 0.000 0.799 475 A HN 0.287 nan 8.150 nan 0.000 0.458 476 H N -0.447 118.609 119.070 -0.023 0.000 2.379 476 H HA 0.273 4.829 4.556 -0.000 0.000 0.229 476 H C -2.774 172.596 175.328 0.071 0.000 1.423 476 H CA -1.654 54.429 56.048 0.058 0.000 1.375 476 H CB 0.638 30.442 29.762 0.069 0.000 1.592 476 H HN 0.286 nan 8.280 nan 0.000 0.507 477 P HA 0.014 nan 4.420 nan 0.000 0.274 477 P C 0.137 177.618 177.300 0.303 0.000 1.231 477 P CA -0.351 62.792 63.100 0.072 0.000 0.790 477 P CB 1.649 33.186 31.700 -0.272 0.000 0.951 478 V N 3.929 124.020 119.914 0.296 0.000 2.508 478 V HA 0.114 4.234 4.120 -0.000 0.000 0.281 478 V C -1.926 174.440 176.094 0.453 0.000 1.041 478 V CA -1.346 61.145 62.300 0.319 0.000 1.016 478 V CB 0.064 32.040 31.823 0.254 0.000 0.984 478 V HN 0.553 nan 8.190 nan 0.000 0.478 479 P HA 0.070 nan 4.420 nan 0.000 0.271 479 P C 0.485 177.958 177.300 0.289 0.000 1.220 479 P CA -0.218 63.108 63.100 0.376 0.000 0.768 479 P CB 0.313 32.074 31.700 0.102 0.000 0.848 480 F N 5.017 124.991 119.950 0.041 0.000 2.293 480 F HA 0.065 4.591 4.527 -0.000 0.000 0.300 480 F C 0.591 176.285 175.800 -0.176 0.000 1.086 480 F CA 0.409 58.310 58.000 -0.165 0.000 1.375 480 F CB -0.692 37.797 39.000 -0.851 0.000 1.045 480 F HN 0.152 nan 8.300 nan 0.000 0.516 481 I N -3.108 116.878 120.570 -0.974 0.000 3.191 481 I HA 0.520 4.690 4.170 -0.000 0.000 0.313 481 I C -0.220 175.646 176.117 -0.419 0.000 1.193 481 I CA -1.459 59.419 61.300 -0.703 0.000 0.968 481 I CB 1.642 39.072 38.000 -0.950 0.000 1.262 481 I HN -0.282 nan 8.210 nan 0.000 0.456 482 S N 1.683 117.231 115.700 -0.254 0.000 2.558 482 S HA 0.188 4.658 4.470 -0.000 0.000 0.288 482 S C 0.134 174.655 174.600 -0.132 0.000 1.318 482 S CA -0.375 57.731 58.200 -0.156 0.000 1.056 482 S CB 0.035 63.170 63.200 -0.108 0.000 0.853 482 S HN 0.445 nan 8.310 nan 0.000 0.505 483 R N 2.586 123.016 120.500 -0.117 0.000 2.490 483 R HA 0.363 4.703 4.340 -0.000 0.000 0.278 483 R C -2.047 174.224 176.300 -0.047 0.000 1.069 483 R CA -1.278 54.771 56.100 -0.084 0.000 1.080 483 R CB -0.081 30.114 30.300 -0.174 0.000 1.030 483 R HN 0.452 nan 8.270 nan 0.000 0.491 484 P HA 0.274 nan 4.420 nan 0.000 0.284 484 P C -1.385 175.968 177.300 0.088 0.000 1.258 484 P CA -0.356 62.760 63.100 0.025 0.000 0.824 484 P CB 0.834 32.541 31.700 0.012 0.000 1.038 485 F N 0.665 120.564 119.950 -0.085 0.000 2.591 485 F HA 0.662 5.189 4.527 -0.000 0.000 0.309 485 F C -1.758 173.950 175.800 -0.153 0.000 1.098 485 F CA -0.641 57.277 58.000 -0.136 0.000 0.937 485 F CB 1.970 40.841 39.000 -0.214 0.000 1.250 485 F HN 0.553 nan 8.300 nan 0.000 0.447 486 A N 4.931 127.036 122.820 -1.191 0.000 2.393 486 A HA 0.531 4.851 4.320 -0.000 0.000 0.306 486 A C -0.449 176.268 177.584 -1.444 0.000 1.050 486 A CA -0.620 50.835 52.037 -0.970 0.000 0.724 486 A CB 0.468 19.224 19.000 -0.408 0.000 1.248 486 A HN 0.856 nan 8.150 nan 0.000 0.424 487 F N 1.583 121.009 119.950 -0.873 0.000 2.307 487 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 487 F C 2.526 178.083 175.800 -0.405 0.000 1.076 487 F CA 1.823 59.453 58.000 -0.616 0.000 1.383 487 F CB 0.047 38.786 39.000 -0.436 0.000 1.055 487 F HN 0.673 nan 8.300 nan 0.000 0.526 488 A N -0.591 122.122 122.820 -0.180 0.000 2.067 488 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 488 A C 1.331 178.869 177.584 -0.077 0.000 1.158 488 A CA 0.548 52.527 52.037 -0.097 0.000 0.661 488 A CB -0.579 18.373 19.000 -0.079 0.000 0.801 488 A HN 0.375 nan 8.150 nan 0.000 0.452 489 Q N 0.909 120.623 119.800 -0.143 0.000 2.815 489 Q HA 0.198 4.538 4.340 -0.000 0.000 0.235 489 Q C 0.765 176.861 176.000 0.159 0.000 1.354 489 Q CA -0.208 55.585 55.803 -0.015 0.000 0.953 489 Q CB 0.124 28.833 28.738 -0.048 0.000 1.613 489 Q HN 0.541 nan 8.270 nan 0.000 0.572 490 S N 0.412 116.199 115.700 0.146 0.000 2.383 490 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 490 S C 2.032 176.774 174.600 0.236 0.000 1.030 490 S CA 1.638 59.980 58.200 0.236 0.000 1.002 490 S CB -0.063 63.224 63.200 0.144 0.000 0.829 490 S HN 0.753 nan 8.310 nan 0.000 0.467 491 S N 1.872 117.661 115.700 0.148 0.000 2.399 491 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 491 S C 1.689 176.371 174.600 0.136 0.000 1.022 491 S CA 0.671 58.935 58.200 0.108 0.000 0.983 491 S CB -0.283 62.954 63.200 0.061 0.000 0.803 491 S HN 0.472 nan 8.310 nan 0.000 0.480 492 R N -0.837 119.791 120.500 0.213 0.000 2.223 492 R HA 0.159 4.499 4.340 -0.000 0.000 0.198 492 R C 2.048 178.530 176.300 0.303 0.000 0.984 492 R CA 0.560 56.793 56.100 0.222 0.000 1.018 492 R CB -0.213 30.245 30.300 0.262 0.000 0.945 492 R HN 0.677 nan 8.270 nan 0.000 0.479 493 W N 2.691 124.144 121.300 0.254 0.000 2.441 493 W HA -0.102 4.558 4.660 -0.000 0.000 0.302 493 W C 1.091 177.788 176.519 0.296 0.000 1.191 493 W CA 1.048 58.567 57.345 0.290 0.000 1.327 493 W CB 0.025 29.693 29.460 0.347 0.000 1.128 493 W HN -0.092 nan 8.180 nan 0.000 0.522 494 K N 0.154 120.609 120.400 0.092 0.000 2.034 494 K HA -0.195 4.125 4.320 -0.000 0.000 0.214 494 K C -1.095 175.431 176.600 -0.123 0.000 1.051 494 K CA 2.050 58.301 56.287 -0.059 0.000 0.931 494 K CB -1.543 30.993 32.500 0.060 0.000 0.715 494 K HN 0.161 nan 8.250 nan 0.000 0.446 495 P HA -0.019 nan 4.420 nan 0.000 0.257 495 P C 0.234 177.442 177.300 -0.153 0.000 1.737 495 P CA -0.184 62.834 63.100 -0.136 0.000 1.130 495 P CB -0.579 31.064 31.700 -0.095 0.000 1.572 496 W N 0.091 121.225 121.300 -0.276 0.000 2.402 496 W HA -0.047 4.613 4.660 -0.000 0.000 0.286 496 W C 0.517 176.915 176.519 -0.202 0.000 1.221 496 W CA 0.132 57.310 57.345 -0.277 0.000 1.257 496 W CB -1.329 27.926 29.460 -0.342 0.000 1.120 496 W HN -0.153 nan 8.180 nan 0.000 0.551 497 L N 2.076 122.706 121.223 -0.988 0.000 2.456 497 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 497 L C 2.169 178.784 176.870 -0.424 0.000 1.148 497 L CA 1.048 55.360 54.840 -0.880 0.000 0.825 497 L CB -0.459 41.200 42.059 -0.667 0.000 0.937 497 L HN -0.000 nan 8.230 nan 0.000 0.450 498 V N -4.798 114.843 119.914 -0.454 0.000 3.376 498 V HA 0.196 4.316 4.120 -0.000 0.000 0.313 498 V C 0.793 176.834 176.094 -0.088 0.000 1.393 498 V CA -0.456 61.592 62.300 -0.420 0.000 1.125 498 V CB -0.197 31.170 31.823 -0.760 0.000 1.037 498 V HN 0.128 nan 8.190 nan 0.000 0.440 499 Q N 1.654 121.424 119.800 -0.049 0.000 2.340 499 Q HA 0.266 4.605 4.340 -0.000 0.000 0.249 499 Q C -0.337 175.622 176.000 -0.068 0.000 0.957 499 Q CA 0.010 55.821 55.803 0.013 0.000 0.882 499 Q CB 1.120 29.854 28.738 -0.007 0.000 1.235 499 Q HN 0.513 nan 8.270 nan 0.000 0.439 500 D N 1.454 121.667 120.400 -0.312 0.000 2.458 500 D HA -0.068 4.572 4.640 -0.000 0.000 0.243 500 D C 0.209 176.352 176.300 -0.262 0.000 1.146 500 D CA 0.302 53.907 54.000 -0.658 0.000 0.877 500 D CB 0.756 41.009 40.800 -0.912 0.000 1.176 500 D HN 0.189 nan 8.370 nan 0.000 0.461 501 Q N 3.277 122.967 119.800 -0.183 0.000 2.246 501 Q HA 0.103 4.442 4.340 -0.000 0.000 0.202 501 Q C 1.408 177.371 176.000 -0.061 0.000 0.883 501 Q CA -0.029 55.745 55.803 -0.050 0.000 0.952 501 Q CB 0.240 28.995 28.738 0.028 0.000 1.078 501 Q HN 0.500 nan 8.270 nan 0.000 0.493 502 R N 0.691 121.122 120.500 -0.116 0.000 2.120 502 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 502 R C 1.977 178.239 176.300 -0.063 0.000 1.123 502 R CA 1.144 57.191 56.100 -0.089 0.000 0.975 502 R CB 0.133 30.369 30.300 -0.106 0.000 0.866 502 R HN 0.367 nan 8.270 nan 0.000 0.446 503 E N 0.540 120.705 120.200 -0.059 0.000 2.077 503 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 503 E C 1.846 178.436 176.600 -0.018 0.000 0.989 503 E CA 1.204 57.580 56.400 -0.040 0.000 0.800 503 E CB 0.002 29.678 29.700 -0.040 0.000 0.746 503 E HN 0.356 nan 8.360 nan 0.000 0.452 504 A N 1.355 124.176 122.820 0.002 0.000 1.873 504 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 504 A C 2.077 179.653 177.584 -0.015 0.000 1.186 504 A CA 1.621 53.669 52.037 0.019 0.000 0.616 504 A CB -0.646 18.388 19.000 0.057 0.000 0.823 504 A HN 0.450 nan 8.150 nan 0.000 0.442 505 E N 0.532 120.715 120.200 -0.029 0.000 2.160 505 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 505 E C 1.939 178.502 176.600 -0.062 0.000 0.991 505 E CA 1.509 57.878 56.400 -0.052 0.000 0.810 505 E CB -0.113 29.554 29.700 -0.054 0.000 0.742 505 E HN 0.733 nan 8.360 nan 0.000 0.466 506 S N -0.230 115.440 115.700 -0.049 0.000 2.561 506 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 506 S C 0.779 175.355 174.600 -0.040 0.000 0.977 506 S CA -0.170 58.001 58.200 -0.049 0.000 0.926 506 S CB -0.070 63.105 63.200 -0.042 0.000 0.769 506 S HN 0.097 nan 8.310 nan 0.000 0.533 507 R N 1.882 122.362 120.500 -0.032 0.000 2.457 507 R HA 0.350 4.690 4.340 -0.000 0.000 0.284 507 R C -1.865 174.424 176.300 -0.017 0.000 1.024 507 R CA -2.010 54.080 56.100 -0.017 0.000 1.025 507 R CB 0.338 30.640 30.300 0.004 0.000 1.063 507 R HN 0.128 nan 8.270 nan 0.000 0.493 508 P HA -0.050 nan 4.420 nan 0.000 0.245 508 P C -0.403 176.952 177.300 0.091 0.000 1.212 508 P CA 0.775 63.895 63.100 0.034 0.000 0.774 508 P CB 0.259 31.981 31.700 0.036 0.000 0.999 509 D N -0.653 119.795 120.400 0.081 0.000 2.388 509 D HA 0.119 4.759 4.640 -0.000 0.000 0.221 509 D C 0.008 176.254 176.300 -0.090 0.000 1.133 509 D CA -0.700 53.393 54.000 0.155 0.000 0.831 509 D CB -0.167 40.742 40.800 0.181 0.000 0.962 509 D HN -0.045 nan 8.370 nan 0.000 0.502 510 V N 0.542 120.336 119.914 -0.200 0.000 2.760 510 V HA 0.418 4.538 4.120 -0.000 0.000 0.309 510 V C -0.243 175.683 176.094 -0.280 0.000 1.077 510 V CA -1.215 60.892 62.300 -0.323 0.000 0.910 510 V CB 2.330 34.070 31.823 -0.137 0.000 1.008 510 V HN 0.158 nan 8.190 nan 0.000 0.424 511 V N 1.097 120.829 119.914 -0.303 0.000 2.459 511 V HA 0.868 4.988 4.120 -0.000 0.000 0.295 511 V C -0.182 175.876 176.094 -0.059 0.000 1.029 511 V CA -0.197 62.041 62.300 -0.103 0.000 0.874 511 V CB 1.512 33.388 31.823 0.088 0.000 0.985 511 V HN 0.838 nan 8.190 nan 0.000 0.438 512 T N 4.684 119.142 114.554 -0.161 0.000 2.841 512 T HA 0.734 5.084 4.350 -0.000 0.000 0.283 512 T C -1.286 173.267 174.700 -0.245 0.000 1.000 512 T CA -0.165 61.874 62.100 -0.102 0.000 0.977 512 T CB 1.252 70.062 68.868 -0.097 0.000 0.979 512 T HN 0.657 nan 8.240 nan 0.000 0.446 513 Y N 1.381 121.711 120.300 0.050 0.000 2.499 513 Y HA 0.599 5.149 4.550 -0.000 0.000 0.347 513 Y C 0.356 176.250 175.900 -0.011 0.000 0.987 513 Y CA -1.106 57.013 58.100 0.032 0.000 1.044 513 Y CB 1.860 40.309 38.460 -0.019 0.000 1.245 513 Y HN 0.720 nan 8.280 nan 0.000 0.461 514 E N -0.759 119.513 120.200 0.119 0.000 2.392 514 E HA 0.532 4.882 4.350 -0.000 0.000 0.279 514 E C -1.255 175.352 176.600 0.012 0.000 0.964 514 E CA -1.206 55.221 56.400 0.044 0.000 0.777 514 E CB 1.867 31.585 29.700 0.030 0.000 1.249 514 E HN 0.530 nan 8.360 nan 0.000 0.449 515 T N -0.420 114.120 114.554 -0.023 0.000 2.788 515 T HA 0.240 4.589 4.350 -0.000 0.000 0.280 515 T C 0.414 175.119 174.700 0.008 0.000 0.984 515 T CA -0.828 61.255 62.100 -0.029 0.000 0.972 515 T CB 0.814 69.647 68.868 -0.058 0.000 1.039 515 T HN 0.444 nan 8.240 nan 0.000 0.530 516 E N 0.218 120.429 120.200 0.018 0.000 2.391 516 E HA 0.196 4.546 4.350 -0.000 0.000 0.255 516 E C 0.303 176.930 176.600 0.045 0.000 1.187 516 E CA -0.436 55.982 56.400 0.030 0.000 0.941 516 E CB 0.948 30.668 29.700 0.034 0.000 1.010 516 E HN 0.623 nan 8.360 nan 0.000 0.458 517 V N 1.898 121.842 119.914 0.049 0.000 2.673 517 V HA 0.009 4.129 4.120 -0.000 0.000 0.303 517 V C 0.077 176.219 176.094 0.079 0.000 1.046 517 V CA -0.139 62.202 62.300 0.068 0.000 1.126 517 V CB -0.161 31.698 31.823 0.059 0.000 0.934 517 V HN 0.397 nan 8.190 nan 0.000 0.487 518 L N 6.180 127.468 121.223 0.107 0.000 2.410 518 L HA 0.312 4.652 4.340 -0.000 0.000 0.273 518 L C 0.979 177.905 176.870 0.093 0.000 1.144 518 L CA -0.212 54.693 54.840 0.108 0.000 0.863 518 L CB 0.466 42.608 42.059 0.138 0.000 1.140 518 L HN 0.697 nan 8.230 nan 0.000 0.463 519 D N 0.906 121.351 120.400 0.075 0.000 2.305 519 D HA 0.031 4.671 4.640 -0.000 0.000 0.206 519 D C 0.338 176.670 176.300 0.053 0.000 0.974 519 D CA 0.989 55.024 54.000 0.059 0.000 0.871 519 D CB 0.620 41.448 40.800 0.047 0.000 0.947 519 D HN 0.461 nan 8.370 nan 0.000 0.516 520 E N 0.670 120.904 120.200 0.058 0.000 2.314 520 E HA 0.316 4.666 4.350 -0.000 0.000 0.272 520 E C -2.496 174.139 176.600 0.058 0.000 0.884 520 E CA -1.936 54.491 56.400 0.045 0.000 0.753 520 E CB 2.683 32.400 29.700 0.029 0.000 1.213 520 E HN -0.066 nan 8.360 nan 0.000 0.432 521 P HA 0.092 nan 4.420 nan 0.000 0.271 521 P C -0.254 177.089 177.300 0.071 0.000 1.218 521 P CA -0.390 62.742 63.100 0.053 0.000 0.780 521 P CB 0.733 32.437 31.700 0.006 0.000 0.901 522 V N 1.546 121.545 119.914 0.142 0.000 2.448 522 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 522 V C -0.279 175.932 176.094 0.194 0.000 1.025 522 V CA -0.928 61.465 62.300 0.155 0.000 0.859 522 V CB 1.435 33.380 31.823 0.203 0.000 0.988 522 V HN 0.359 nan 8.190 nan 0.000 0.431 523 R N 4.280 124.842 120.500 0.103 0.000 2.265 523 R HA 0.747 5.087 4.340 -0.000 0.000 0.319 523 R C -0.563 175.802 176.300 0.109 0.000 1.006 523 R CA -0.535 55.610 56.100 0.075 0.000 0.880 523 R CB 1.926 32.243 30.300 0.029 0.000 1.077 523 R HN 0.931 nan 8.270 nan 0.000 0.454 524 V N -1.000 118.992 119.914 0.129 0.000 2.680 524 V HA 0.757 4.877 4.120 -0.000 0.000 0.309 524 V C -0.400 175.749 176.094 0.092 0.000 1.052 524 V CA -0.614 61.766 62.300 0.133 0.000 0.908 524 V CB 2.049 34.012 31.823 0.234 0.000 1.001 524 V HN 0.696 nan 8.190 nan 0.000 0.431 525 S N 2.454 118.192 115.700 0.064 0.000 2.536 525 S HA 0.822 5.292 4.470 -0.000 0.000 0.246 525 S C -0.190 174.414 174.600 0.008 0.000 1.077 525 S CA 0.580 58.845 58.200 0.108 0.000 1.091 525 S CB 0.332 63.591 63.200 0.099 0.000 1.148 525 S HN 2.402 nan 8.310 nan 0.000 0.447 526 G N 1.485 110.319 108.800 0.057 0.000 2.356 526 G HA2 0.332 4.292 3.960 -0.000 0.000 0.266 526 G HA3 0.332 4.292 3.960 -0.000 0.000 0.266 526 G C -1.143 173.702 174.900 -0.092 0.000 1.312 526 G CA 0.082 45.044 45.100 -0.229 0.000 0.922 526 G HN 1.711 nan 8.290 nan 0.000 0.480 527 V N -0.234 119.584 119.914 -0.159 0.000 2.384 527 V HA 0.810 4.930 4.120 -0.000 0.000 0.287 527 V C -2.529 173.522 176.094 -0.073 0.000 1.020 527 V CA -1.891 60.359 62.300 -0.083 0.000 0.850 527 V CB 1.397 33.160 31.823 -0.100 0.000 0.987 527 V HN 0.618 nan 8.190 nan 0.000 0.436 528 P HA 0.476 nan 4.420 nan 0.000 0.276 528 P C -0.929 176.310 177.300 -0.101 0.000 1.244 528 P CA -0.338 62.726 63.100 -0.061 0.000 0.801 528 P CB 1.259 32.941 31.700 -0.031 0.000 1.006 529 V N 0.686 120.496 119.914 -0.174 0.000 2.525 529 V HA 0.563 4.683 4.120 -0.000 0.000 0.299 529 V C 0.030 175.864 176.094 -0.434 0.000 1.034 529 V CA -1.022 61.090 62.300 -0.313 0.000 0.863 529 V CB 1.440 33.055 31.823 -0.346 0.000 0.999 529 V HN 0.683 nan 8.190 nan 0.000 0.423 530 A N 2.808 125.231 122.820 -0.660 0.000 2.362 530 A HA 0.559 4.878 4.320 -0.000 0.000 0.276 530 A C -0.216 176.960 177.584 -0.681 0.000 1.153 530 A CA -0.025 51.580 52.037 -0.720 0.000 0.813 530 A CB 0.066 18.387 19.000 -1.132 0.000 1.081 530 A HN 0.879 nan 8.150 nan 0.000 0.507 531 D N 2.297 122.474 120.400 -0.371 0.000 2.458 531 D HA 0.433 5.072 4.640 -0.000 0.000 0.258 531 D C -1.102 175.109 176.300 -0.149 0.000 1.134 531 D CA -0.097 53.807 54.000 -0.161 0.000 0.915 531 D CB 0.507 41.334 40.800 0.045 0.000 1.028 531 D HN 0.347 nan 8.370 nan 0.000 0.508 532 L N 3.741 124.820 121.223 -0.241 0.000 2.296 532 L HA 0.595 4.934 4.340 -0.000 0.000 0.286 532 L C -1.575 175.145 176.870 -0.249 0.000 1.023 532 L CA -0.398 54.333 54.840 -0.181 0.000 0.812 532 L CB 0.657 42.596 42.059 -0.199 0.000 1.223 532 L HN 0.149 nan 8.230 nan 0.000 0.421 533 F N 5.244 125.213 119.950 0.031 0.000 2.347 533 F HA 0.761 5.288 4.527 -0.000 0.000 0.366 533 F C 0.311 176.087 175.800 -0.039 0.000 1.107 533 F CA -0.259 57.755 58.000 0.024 0.000 1.058 533 F CB 1.440 40.434 39.000 -0.010 0.000 1.236 533 F HN 0.644 nan 8.300 nan 0.000 0.456 534 A N 2.240 125.073 122.820 0.020 0.000 2.515 534 A HA 0.952 5.272 4.320 -0.000 0.000 0.298 534 A C -1.433 176.156 177.584 0.008 0.000 1.059 534 A CA -0.656 51.271 52.037 -0.184 0.000 0.698 534 A CB 1.351 19.748 19.000 -1.006 0.000 1.289 534 A HN 0.809 nan 8.150 nan 0.000 0.404 535 A N 0.469 123.355 122.820 0.109 0.000 2.374 535 A HA 0.921 5.240 4.320 -0.000 0.000 0.317 535 A C -0.263 177.508 177.584 0.312 0.000 1.094 535 A CA -0.236 51.926 52.037 0.209 0.000 0.765 535 A CB 1.667 20.752 19.000 0.141 0.000 1.268 535 A HN 1.524 nan 8.150 nan 0.000 0.438 536 T N -0.525 114.212 114.554 0.305 0.000 2.900 536 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 536 T C 1.078 175.856 174.700 0.130 0.000 1.044 536 T CA 0.262 62.500 62.100 0.231 0.000 0.995 536 T CB 1.266 70.275 68.868 0.236 0.000 1.072 536 T HN 1.325 nan 8.240 nan 0.000 0.473 537 S N 2.204 117.950 115.700 0.076 0.000 2.522 537 S HA 0.263 4.732 4.470 -0.000 0.000 0.227 537 S C 1.144 175.775 174.600 0.051 0.000 0.986 537 S CA 0.182 58.416 58.200 0.056 0.000 0.929 537 S CB -0.260 62.963 63.200 0.038 0.000 0.769 537 S HN 0.894 nan 8.310 nan 0.000 0.529 538 G N 1.005 109.836 108.800 0.052 0.000 2.531 538 G HA2 0.435 4.395 3.960 -0.000 0.000 0.281 538 G HA3 0.435 4.395 3.960 -0.000 0.000 0.281 538 G C 0.522 175.463 174.900 0.067 0.000 1.382 538 G CA 0.088 45.217 45.100 0.047 0.000 1.045 538 G HN 0.380 nan 8.290 nan 0.000 0.533 539 T N -3.069 111.528 114.554 0.072 0.000 3.092 539 T HA 0.325 4.675 4.350 -0.000 0.000 0.258 539 T C -0.140 174.640 174.700 0.133 0.000 1.031 539 T CA 0.038 62.193 62.100 0.091 0.000 0.925 539 T CB 0.323 69.247 68.868 0.093 0.000 1.036 539 T HN 0.411 nan 8.240 nan 0.000 0.544 540 D N -0.538 119.930 120.400 0.113 0.000 2.671 540 D HA 0.651 5.290 4.640 -0.000 0.000 0.273 540 D C -1.608 174.698 176.300 0.010 0.000 1.264 540 D CA -0.220 53.848 54.000 0.113 0.000 0.788 540 D CB 2.032 42.908 40.800 0.126 0.000 1.324 540 D HN 0.041 nan 8.370 nan 0.000 0.424 541 S N 0.178 115.842 115.700 -0.061 0.000 2.614 541 S HA 0.356 4.826 4.470 -0.000 0.000 0.280 541 S C -2.093 172.229 174.600 -0.464 0.000 1.111 541 S CA -0.812 57.185 58.200 -0.339 0.000 0.847 541 S CB 1.293 64.119 63.200 -0.625 0.000 1.079 541 S HN 0.385 nan 8.310 nan 0.000 0.452 542 D N 0.467 120.532 120.400 -0.559 0.000 2.228 542 D HA 0.612 5.252 4.640 -0.000 0.000 0.247 542 D C -1.216 174.678 176.300 -0.678 0.000 0.995 542 D CA -0.018 53.733 54.000 -0.415 0.000 0.903 542 D CB 0.886 41.581 40.800 -0.177 0.000 1.205 542 D HN 0.437 nan 8.370 nan 0.000 0.459 543 W N 0.885 122.152 121.300 -0.055 0.000 2.647 543 W HA 0.463 5.123 4.660 -0.000 0.000 0.328 543 W C -0.966 175.514 176.519 -0.065 0.000 1.018 543 W CA -0.908 56.398 57.345 -0.065 0.000 1.245 543 W CB 1.282 30.644 29.460 -0.163 0.000 1.356 543 W HN -0.070 nan 8.180 nan 0.000 0.443 544 V N 4.539 124.500 119.914 0.079 0.000 2.394 544 V HA 0.529 4.649 4.120 -0.000 0.000 0.282 544 V C -0.293 175.780 176.094 -0.035 0.000 1.031 544 V CA -0.918 61.281 62.300 -0.168 0.000 0.881 544 V CB 1.287 32.763 31.823 -0.579 0.000 0.982 544 V HN 0.307 nan 8.190 nan 0.000 0.451 545 V N 5.753 125.695 119.914 0.045 0.000 2.487 545 V HA 0.512 4.632 4.120 -0.000 0.000 0.298 545 V C -0.278 175.850 176.094 0.056 0.000 1.028 545 V CA -0.932 61.413 62.300 0.074 0.000 0.860 545 V CB 1.978 33.875 31.823 0.123 0.000 0.991 545 V HN 0.864 nan 8.190 nan 0.000 0.427 546 K N 4.479 124.906 120.400 0.046 0.000 2.292 546 K HA 0.666 4.985 4.320 -0.000 0.000 0.257 546 K C -1.297 175.355 176.600 0.088 0.000 0.940 546 K CA -0.851 55.492 56.287 0.093 0.000 0.811 546 K CB 2.625 35.189 32.500 0.106 0.000 1.120 546 K HN 0.432 nan 8.250 nan 0.000 0.428 547 L N 4.778 126.065 121.223 0.107 0.000 2.265 547 L HA 0.501 4.841 4.340 -0.000 0.000 0.289 547 L C -1.251 175.717 176.870 0.162 0.000 1.033 547 L CA -0.241 54.663 54.840 0.106 0.000 0.814 547 L CB 0.525 42.645 42.059 0.102 0.000 1.203 547 L HN 0.595 nan 8.230 nan 0.000 0.423 548 I N 3.820 124.495 120.570 0.175 0.000 2.569 548 I HA 0.342 4.512 4.170 -0.000 0.000 0.296 548 I C -0.954 175.370 176.117 0.346 0.000 1.028 548 I CA -0.734 60.698 61.300 0.220 0.000 1.082 548 I CB 2.123 40.217 38.000 0.158 0.000 1.264 548 I HN 0.500 nan 8.210 nan 0.000 0.429 549 D N 5.549 126.186 120.400 0.394 0.000 2.373 549 D HA 0.269 4.909 4.640 -0.000 0.000 0.227 549 D C -0.825 175.708 176.300 0.389 0.000 1.091 549 D CA -0.261 54.065 54.000 0.543 0.000 0.840 549 D CB 1.407 42.462 40.800 0.425 0.000 1.060 549 D HN 0.067 nan 8.370 nan 0.000 0.502 550 V N 5.298 125.412 119.914 0.334 0.000 2.408 550 V HA 0.116 4.236 4.120 -0.000 0.000 0.267 550 V C 0.776 176.956 176.094 0.143 0.000 1.047 550 V CA -0.733 61.691 62.300 0.207 0.000 0.937 550 V CB 0.898 32.798 31.823 0.130 0.000 0.999 550 V HN 0.492 nan 8.190 nan 0.000 0.472 551 Q N 5.463 125.302 119.800 0.065 0.000 2.454 551 Q HA 0.230 4.570 4.340 -0.000 0.000 0.247 551 Q C -2.246 173.599 176.000 -0.258 0.000 1.028 551 Q CA -1.889 53.790 55.803 -0.207 0.000 0.910 551 Q CB -0.111 28.597 28.738 -0.050 0.000 1.276 551 Q HN 0.433 nan 8.270 nan 0.000 0.489 552 P HA -0.078 nan 4.420 nan 0.000 0.265 552 P C 0.112 177.363 177.300 -0.081 0.000 1.187 552 P CA 0.535 63.522 63.100 -0.189 0.000 0.766 552 P CB 0.393 32.003 31.700 -0.150 0.000 0.820 553 A N 3.779 126.575 122.820 -0.039 0.000 1.954 553 A HA -0.189 4.131 4.320 -0.000 0.000 0.222 553 A C 0.969 178.544 177.584 -0.014 0.000 1.199 553 A CA 1.884 53.911 52.037 -0.017 0.000 0.657 553 A CB -0.689 18.306 19.000 -0.008 0.000 0.823 553 A HN 0.507 nan 8.150 nan 0.000 0.463 554 M N -0.637 118.952 119.600 -0.019 0.000 2.393 554 M HA 0.338 4.818 4.480 -0.000 0.000 0.299 554 M C -0.836 175.451 176.300 -0.023 0.000 1.103 554 M CA -0.101 55.190 55.300 -0.015 0.000 0.910 554 M CB 1.720 34.315 32.600 -0.009 0.000 1.659 554 M HN 0.271 nan 8.290 nan 0.000 0.445 555 T N -0.986 113.556 114.554 -0.021 0.000 3.241 555 T HA 0.416 4.766 4.350 -0.000 0.000 0.387 555 T C -2.093 172.597 174.700 -0.018 0.000 1.451 555 T CA -1.358 60.727 62.100 -0.025 0.000 1.363 555 T CB 0.611 69.457 68.868 -0.036 0.000 1.074 555 T HN 0.370 nan 8.240 nan 0.000 0.598 556 P HA -0.049 nan 4.420 nan 0.000 0.220 556 P C 0.578 177.871 177.300 -0.012 0.000 1.148 556 P CA 0.951 64.044 63.100 -0.010 0.000 0.803 556 P CB 0.279 31.975 31.700 -0.006 0.000 0.782 557 D N -0.641 119.751 120.400 -0.014 0.000 2.224 557 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 557 D C 0.474 176.759 176.300 -0.024 0.000 0.965 557 D CA 1.281 55.272 54.000 -0.016 0.000 0.852 557 D CB -0.238 40.554 40.800 -0.013 0.000 0.947 557 D HN 0.182 nan 8.370 nan 0.000 0.494 558 D N -1.255 119.127 120.400 -0.030 0.000 2.517 558 D HA 0.151 4.791 4.640 -0.000 0.000 0.263 558 D C -2.061 174.218 176.300 -0.035 0.000 1.233 558 D CA -1.889 52.086 54.000 -0.041 0.000 0.849 558 D CB 1.274 42.038 40.800 -0.061 0.000 1.261 558 D HN -0.228 nan 8.370 nan 0.000 0.516 559 P HA -0.216 nan 4.420 nan 0.000 0.217 559 P C 1.263 178.559 177.300 -0.006 0.000 1.151 559 P CA 1.498 64.590 63.100 -0.014 0.000 0.849 559 P CB 0.106 31.800 31.700 -0.011 0.000 0.787 560 K N -1.230 119.166 120.400 -0.008 0.000 2.362 560 K HA -0.049 4.271 4.320 -0.000 0.000 0.200 560 K C 1.374 178.001 176.600 0.046 0.000 1.046 560 K CA 1.189 57.485 56.287 0.015 0.000 0.952 560 K CB -0.504 32.000 32.500 0.006 0.000 0.753 560 K HN 0.067 nan 8.250 nan 0.000 0.466 561 M N 1.549 121.148 119.600 -0.002 0.000 2.561 561 M HA 0.129 4.608 4.480 -0.000 0.000 0.238 561 M C 0.654 176.985 176.300 0.053 0.000 1.131 561 M CA 0.119 55.416 55.300 -0.006 0.000 1.046 561 M CB -0.187 32.336 32.600 -0.128 0.000 1.532 561 M HN 0.204 nan 8.290 nan 0.000 0.497 562 G N 0.410 109.230 108.800 0.034 0.000 2.298 562 G HA2 0.320 4.280 3.960 -0.000 0.000 0.263 562 G HA3 0.320 4.280 3.960 -0.000 0.000 0.263 562 G C 1.109 176.035 174.900 0.043 0.000 1.229 562 G CA 0.389 45.501 45.100 0.020 0.000 0.976 562 G HN 0.701 nan 8.290 nan 0.000 0.459 563 G N 1.615 110.433 108.800 0.030 0.000 2.166 563 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 563 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 563 G C 0.421 175.367 174.900 0.078 0.000 0.986 563 G CA 0.671 45.793 45.100 0.036 0.000 0.683 563 G HN 1.083 nan 8.290 nan 0.000 0.527 564 Y N 1.477 121.765 120.300 -0.020 0.000 2.620 564 Y HA 0.375 4.925 4.550 -0.000 0.000 0.330 564 Y C 0.783 176.695 175.900 0.020 0.000 1.186 564 Y CA 0.379 58.474 58.100 -0.007 0.000 1.467 564 Y CB 0.519 38.969 38.460 -0.017 0.000 1.262 564 Y HN 0.327 nan 8.280 nan 0.000 0.550 565 E N 6.714 126.853 120.200 -0.101 0.000 1.986 565 E HA 0.155 4.505 4.350 -0.000 0.000 0.264 565 E C -1.327 175.305 176.600 0.053 0.000 1.023 565 E CA -0.596 55.811 56.400 0.013 0.000 0.834 565 E CB 0.508 30.186 29.700 -0.038 0.000 1.111 565 E HN 0.412 nan 8.360 nan 0.000 0.417 566 L N 5.597 126.998 121.223 0.297 0.000 2.283 566 L HA 0.341 4.681 4.340 -0.000 0.000 0.287 566 L C -2.571 174.435 176.870 0.226 0.000 1.073 566 L CA -2.196 52.842 54.840 0.329 0.000 0.822 566 L CB 0.378 42.635 42.059 0.330 0.000 1.186 566 L HN 0.175 nan 8.230 nan 0.000 0.436 567 P HA 0.061 nan 4.420 nan 0.000 0.271 567 P C 0.623 178.099 177.300 0.293 0.000 1.226 567 P CA -0.158 63.070 63.100 0.213 0.000 0.765 567 P CB 0.972 32.790 31.700 0.195 0.000 0.835 568 V N 0.684 120.710 119.914 0.187 0.000 3.307 568 V HA 0.232 4.352 4.120 -0.000 0.000 0.253 568 V C 0.570 176.669 176.094 0.008 0.000 1.149 568 V CA 0.685 63.026 62.300 0.069 0.000 1.112 568 V CB -0.071 31.628 31.823 -0.207 0.000 0.777 568 V HN 0.546 nan 8.190 nan 0.000 0.464 569 S N 1.028 116.784 115.700 0.093 0.000 2.584 569 S HA 0.748 5.218 4.470 -0.000 0.000 0.280 569 S C -0.982 173.719 174.600 0.169 0.000 1.162 569 S CA -0.670 57.584 58.200 0.091 0.000 0.951 569 S CB 1.177 64.407 63.200 0.051 0.000 1.108 569 S HN 0.622 nan 8.310 nan 0.000 0.464 570 M N 2.728 122.473 119.600 0.243 0.000 2.520 570 M HA 0.791 5.271 4.480 -0.000 0.000 0.283 570 M C -1.739 174.848 176.300 0.479 0.000 1.237 570 M CA -0.750 54.750 55.300 0.334 0.000 0.885 570 M CB 2.224 35.062 32.600 0.397 0.000 1.727 570 M HN 0.499 nan 8.290 nan 0.000 0.468 571 D N 0.642 121.317 120.400 0.458 0.000 2.671 571 D HA 0.639 5.279 4.640 -0.000 0.000 0.273 571 D C -2.059 174.466 176.300 0.375 0.000 1.264 571 D CA -0.389 53.961 54.000 0.584 0.000 0.788 571 D CB 3.065 44.247 40.800 0.637 0.000 1.324 571 D HN 0.850 nan 8.370 nan 0.000 0.424 572 I N 1.059 121.842 120.570 0.355 0.000 2.646 572 I HA 0.655 4.825 4.170 -0.000 0.000 0.299 572 I C -1.528 174.650 176.117 0.103 0.000 1.036 572 I CA -0.886 60.466 61.300 0.087 0.000 1.074 572 I CB 1.554 39.473 38.000 -0.136 0.000 1.258 572 I HN 0.293 nan 8.210 nan 0.000 0.430 573 F N 6.716 126.525 119.950 -0.234 0.000 2.539 573 F HA 0.518 5.045 4.527 -0.000 0.000 0.318 573 F C -0.431 175.313 175.800 -0.093 0.000 1.135 573 F CA -0.763 57.037 58.000 -0.333 0.000 0.915 573 F CB 1.214 39.571 39.000 -1.072 0.000 1.176 573 F HN 0.414 nan 8.300 nan 0.000 0.440 574 R N 3.945 124.294 120.500 -0.252 0.000 2.242 574 R HA 0.311 4.651 4.340 -0.000 0.000 0.334 574 R C 1.275 177.651 176.300 0.126 0.000 1.071 574 R CA 0.572 56.656 56.100 -0.027 0.000 0.922 574 R CB 0.878 31.218 30.300 0.066 0.000 1.023 574 R HN 0.978 nan 8.270 nan 0.000 0.458 575 G N 5.087 114.057 108.800 0.283 0.000 2.503 575 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.221 575 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.221 575 G C 1.237 176.370 174.900 0.388 0.000 1.131 575 G CA 1.030 46.451 45.100 0.536 0.000 0.756 575 G HN 0.804 nan 8.290 nan 0.000 0.572 576 R N -0.516 120.032 120.500 0.079 0.000 2.200 576 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 576 R C 1.094 177.315 176.300 -0.131 0.000 1.127 576 R CA 1.256 57.319 56.100 -0.063 0.000 0.989 576 R CB -0.614 29.596 30.300 -0.150 0.000 0.869 576 R HN 0.499 nan 8.270 nan 0.000 0.459 577 Y N 0.590 121.050 120.300 0.266 0.000 2.583 577 Y HA 0.295 4.845 4.550 -0.000 0.000 0.294 577 Y C 2.162 178.196 175.900 0.223 0.000 1.170 577 Y CA -0.676 57.558 58.100 0.223 0.000 1.265 577 Y CB 0.119 38.770 38.460 0.318 0.000 1.119 577 Y HN -0.007 nan 8.280 nan 0.000 0.522 578 R N 1.121 121.870 120.500 0.414 0.000 2.091 578 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 578 R C 1.492 177.796 176.300 0.007 0.000 1.136 578 R CA 1.818 58.084 56.100 0.276 0.000 0.959 578 R CB 0.166 30.489 30.300 0.039 0.000 0.856 578 R HN 0.318 nan 8.270 nan 0.000 0.437 579 K N -1.278 119.113 120.400 -0.014 0.000 2.128 579 K HA 0.020 4.340 4.320 -0.000 0.000 0.202 579 K C -0.049 176.500 176.600 -0.086 0.000 1.050 579 K CA 0.602 56.850 56.287 -0.065 0.000 0.966 579 K CB 0.351 32.825 32.500 -0.042 0.000 0.759 579 K HN 0.026 nan 8.250 nan 0.000 0.454 580 D N -1.294 119.083 120.400 -0.039 0.000 2.970 580 D HA 0.118 4.758 4.640 -0.000 0.000 0.230 580 D C -0.078 176.282 176.300 0.099 0.000 1.276 580 D CA -0.512 53.472 54.000 -0.026 0.000 0.910 580 D CB 0.955 41.786 40.800 0.051 0.000 1.590 580 D HN -0.211 nan 8.370 nan 0.000 0.551 581 F N 1.986 122.058 119.950 0.203 0.000 2.234 581 F HA 0.039 4.566 4.527 -0.000 0.000 0.299 581 F C 2.430 178.205 175.800 -0.041 0.000 1.087 581 F CA 1.100 59.139 58.000 0.064 0.000 1.340 581 F CB -0.464 38.464 39.000 -0.119 0.000 1.031 581 F HN 0.503 nan 8.300 nan 0.000 0.500 582 A N -1.331 121.613 122.820 0.206 0.000 2.123 582 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 582 A C 0.918 178.595 177.584 0.155 0.000 1.152 582 A CA 0.663 52.763 52.037 0.104 0.000 0.728 582 A CB -0.107 18.933 19.000 0.067 0.000 0.814 582 A HN -0.036 nan 8.150 nan 0.000 0.464 583 K N 1.151 121.677 120.400 0.209 0.000 2.626 583 K HA 0.315 4.635 4.320 -0.000 0.000 0.223 583 K C -3.226 173.517 176.600 0.239 0.000 0.992 583 K CA -1.908 54.493 56.287 0.190 0.000 1.024 583 K CB 1.767 34.336 32.500 0.114 0.000 1.225 583 K HN 0.155 nan 8.250 nan 0.000 0.498 584 P HA 0.211 nan 4.420 nan 0.000 0.271 584 P C -0.573 176.831 177.300 0.174 0.000 1.218 584 P CA -0.067 63.170 63.100 0.229 0.000 0.780 584 P CB 1.377 33.200 31.700 0.205 0.000 0.901 585 E N 0.024 120.230 120.200 0.010 0.000 2.383 585 E HA 0.545 4.895 4.350 -0.000 0.000 0.275 585 E C -0.667 175.567 176.600 -0.609 0.000 0.918 585 E CA -1.129 55.081 56.400 -0.316 0.000 0.764 585 E CB 2.509 32.103 29.700 -0.176 0.000 1.252 585 E HN 0.493 nan 8.360 nan 0.000 0.449 586 A N 2.274 124.433 122.820 -1.102 0.000 2.448 586 A HA 0.294 4.613 4.320 -0.000 0.000 0.239 586 A C -0.287 177.149 177.584 -0.246 0.000 1.080 586 A CA 0.117 51.697 52.037 -0.762 0.000 0.779 586 A CB 0.179 18.802 19.000 -0.627 0.000 1.026 586 A HN 0.494 nan 8.150 nan 0.000 0.499 587 L N 0.536 121.719 121.223 -0.067 0.000 2.322 587 L HA 0.339 4.679 4.340 -0.000 0.000 0.279 587 L C 0.235 177.116 176.870 0.018 0.000 1.036 587 L CA -0.761 54.099 54.840 0.033 0.000 0.807 587 L CB 1.461 43.617 42.059 0.162 0.000 1.226 587 L HN 0.816 nan 8.230 nan 0.000 0.433 588 Q N 4.456 124.268 119.800 0.020 0.000 2.281 588 Q HA 0.225 4.565 4.340 -0.000 0.000 0.267 588 Q C -2.365 173.664 176.000 0.048 0.000 1.053 588 Q CA -1.347 54.466 55.803 0.015 0.000 0.905 588 Q CB 0.839 29.580 28.738 0.006 0.000 1.195 588 Q HN 0.163 nan 8.270 nan 0.000 0.398 589 P HA -0.012 nan 4.420 nan 0.000 0.266 589 P C -0.733 176.600 177.300 0.055 0.000 1.195 589 P CA 0.257 63.391 63.100 0.056 0.000 0.768 589 P CB 0.515 32.240 31.700 0.042 0.000 0.838 590 D N -1.408 119.034 120.400 0.069 0.000 3.039 590 D HA -0.206 4.434 4.640 -0.000 0.000 0.222 590 D C -0.007 176.328 176.300 0.058 0.000 1.179 590 D CA 1.478 55.516 54.000 0.063 0.000 0.880 590 D CB -1.300 39.527 40.800 0.045 0.000 1.115 590 D HN 0.522 nan 8.370 nan 0.000 0.416 591 A N 0.290 123.149 122.820 0.065 0.000 2.304 591 A HA 0.552 4.872 4.320 -0.000 0.000 0.323 591 A C 0.473 178.097 177.584 0.067 0.000 1.195 591 A CA -0.286 51.780 52.037 0.048 0.000 0.826 591 A CB 1.042 20.061 19.000 0.032 0.000 1.184 591 A HN -0.021 nan 8.150 nan 0.000 0.496 592 T N 3.642 118.223 114.554 0.044 0.000 2.779 592 T HA 0.453 4.803 4.350 -0.000 0.000 0.296 592 T C -0.042 174.697 174.700 0.065 0.000 0.938 592 T CA 0.459 62.596 62.100 0.063 0.000 1.119 592 T CB -0.374 68.497 68.868 0.006 0.000 0.891 592 T HN 0.424 nan 8.240 nan 0.000 0.526 593 L N 2.434 123.697 121.223 0.067 0.000 2.333 593 L HA 0.453 4.793 4.340 -0.000 0.000 0.269 593 L C 0.378 177.149 176.870 -0.165 0.000 1.010 593 L CA -1.099 53.700 54.840 -0.068 0.000 0.818 593 L CB 1.747 43.696 42.059 -0.184 0.000 1.306 593 L HN 0.648 nan 8.230 nan 0.000 0.430 594 H N 1.552 120.361 119.070 -0.436 0.000 2.594 594 H HA 0.345 4.900 4.556 -0.000 0.000 0.304 594 H C -1.544 173.367 175.328 -0.694 0.000 1.068 594 H CA -0.513 55.150 56.048 -0.642 0.000 1.308 594 H CB 0.625 30.102 29.762 -0.475 0.000 1.409 594 H HN 0.409 nan 8.280 nan 0.000 0.460 595 Y N 3.065 123.034 120.300 -0.552 0.000 2.409 595 Y HA 0.219 4.768 4.550 -0.000 0.000 0.339 595 Y C -0.247 175.322 175.900 -0.551 0.000 1.033 595 Y CA -0.773 57.012 58.100 -0.526 0.000 1.094 595 Y CB 1.518 39.728 38.460 -0.416 0.000 1.210 595 Y HN 0.685 nan 8.280 nan 0.000 0.456 596 H N 4.118 122.940 119.070 -0.413 0.000 3.108 596 H HA 0.518 5.074 4.556 -0.000 0.000 0.329 596 H C -1.771 173.488 175.328 -0.114 0.000 0.978 596 H CA -1.074 54.752 56.048 -0.370 0.000 1.413 596 H CB 0.510 30.004 29.762 -0.446 0.000 1.670 596 H HN 0.509 nan 8.280 nan 0.000 0.512 597 F N 1.190 120.887 119.950 -0.421 0.000 2.641 597 F HA 0.494 5.021 4.527 -0.000 0.000 0.308 597 F C -0.559 175.196 175.800 -0.074 0.000 1.105 597 F CA -1.169 56.702 58.000 -0.215 0.000 0.964 597 F CB 0.864 39.638 39.000 -0.377 0.000 1.294 597 F HN 0.379 nan 8.300 nan 0.000 0.442 598 T N 1.185 115.908 114.554 0.282 0.000 2.918 598 T HA 0.621 4.971 4.350 -0.000 0.000 0.302 598 T C -0.314 174.619 174.700 0.387 0.000 1.045 598 T CA -0.488 61.749 62.100 0.228 0.000 1.114 598 T CB 0.988 70.010 68.868 0.257 0.000 0.965 598 T HN 0.699 nan 8.240 nan 0.000 0.540 599 L N 2.307 123.650 121.223 0.199 0.000 2.304 599 L HA 0.541 4.880 4.340 -0.000 0.000 0.268 599 L C -2.207 174.764 176.870 0.168 0.000 1.010 599 L CA -3.123 51.858 54.840 0.235 0.000 0.813 599 L CB 1.392 43.524 42.059 0.123 0.000 1.315 599 L HN 0.428 nan 8.230 nan 0.000 0.445 600 P HA 0.005 nan 4.420 nan 0.000 0.266 600 P C -0.734 176.574 177.300 0.013 0.000 1.193 600 P CA -0.144 63.004 63.100 0.081 0.000 0.770 600 P CB 0.421 32.161 31.700 0.068 0.000 0.836 601 A N 2.480 125.291 122.820 -0.016 0.000 2.466 601 A HA 0.426 4.746 4.320 -0.000 0.000 0.238 601 A C 0.200 177.745 177.584 -0.065 0.000 1.074 601 A CA 0.080 52.118 52.037 0.002 0.000 0.774 601 A CB -0.289 18.753 19.000 0.070 0.000 1.015 601 A HN 0.476 nan 8.150 nan 0.000 0.498 602 V N -0.665 119.241 119.914 -0.013 0.000 2.876 602 V HA 0.843 4.963 4.120 -0.000 0.000 0.312 602 V C -0.694 175.405 176.094 0.009 0.000 1.085 602 V CA -0.833 61.430 62.300 -0.062 0.000 0.945 602 V CB 2.142 33.953 31.823 -0.020 0.000 1.017 602 V HN 0.903 nan 8.190 nan 0.000 0.428 603 N N 1.139 119.808 118.700 -0.051 0.000 2.751 603 N HA 0.443 5.182 4.740 -0.000 0.000 0.238 603 N C -1.238 174.249 175.510 -0.037 0.000 1.351 603 N CA -0.166 52.878 53.050 -0.010 0.000 0.751 603 N CB 0.573 39.022 38.487 -0.064 0.000 1.342 603 N HN 1.133 nan 8.380 nan 0.000 0.540 604 H N -0.048 118.927 119.070 -0.158 0.000 2.941 604 H HA 0.792 5.348 4.556 -0.000 0.000 0.344 604 H C -1.402 173.783 175.328 -0.239 0.000 1.235 604 H CA -0.665 55.230 56.048 -0.255 0.000 1.149 604 H CB 1.717 31.250 29.762 -0.380 0.000 1.885 604 H HN -0.032 nan 8.280 nan 0.000 0.558 605 V N 2.731 122.089 119.914 -0.927 0.000 2.623 605 V HA 0.264 4.384 4.120 -0.000 0.000 0.304 605 V C -1.062 174.560 176.094 -0.786 0.000 1.054 605 V CA -0.685 61.282 62.300 -0.555 0.000 0.882 605 V CB 1.353 32.961 31.823 -0.358 0.000 1.002 605 V HN 0.574 nan 8.190 nan 0.000 0.424 606 F N 3.644 123.483 119.950 -0.185 0.000 2.375 606 F HA 0.685 5.212 4.527 -0.000 0.000 0.362 606 F C 0.925 176.597 175.800 -0.214 0.000 1.129 606 F CA -0.145 57.777 58.000 -0.131 0.000 1.154 606 F CB 0.974 40.020 39.000 0.076 0.000 1.205 606 F HN 0.602 nan 8.300 nan 0.000 0.513 607 A N 4.168 126.769 122.820 -0.363 0.000 2.259 607 A HA 0.425 4.745 4.320 -0.000 0.000 0.278 607 A C 0.292 177.907 177.584 0.052 0.000 1.107 607 A CA -0.849 51.071 52.037 -0.195 0.000 0.828 607 A CB 0.424 19.265 19.000 -0.264 0.000 1.111 607 A HN 0.698 nan 8.150 nan 0.000 0.498 608 K N -0.436 120.020 120.400 0.093 0.000 2.485 608 K HA 0.315 4.635 4.320 -0.000 0.000 0.277 608 K C 1.151 177.887 176.600 0.227 0.000 0.990 608 K CA 1.190 57.558 56.287 0.136 0.000 0.994 608 K CB 0.111 32.663 32.500 0.087 0.000 0.906 608 K HN 1.376 nan 8.250 nan 0.000 0.488 609 G N 1.497 110.409 108.800 0.186 0.000 2.241 609 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.244 609 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.244 609 G C 0.188 175.182 174.900 0.157 0.000 0.998 609 G CA -0.152 45.038 45.100 0.149 0.000 0.621 609 G HN 0.762 nan 8.290 nan 0.000 0.519 610 H N 0.238 119.373 119.070 0.108 0.000 2.490 610 H HA 0.679 5.235 4.556 -0.000 0.000 0.354 610 H C 0.550 175.956 175.328 0.131 0.000 1.365 610 H CA -0.143 55.992 56.048 0.145 0.000 1.413 610 H CB 0.765 30.659 29.762 0.221 0.000 1.631 610 H HN 0.241 nan 8.280 nan 0.000 0.607 611 R N 0.201 120.864 120.500 0.271 0.000 2.771 611 R HA 0.429 4.769 4.340 -0.000 0.000 0.274 611 R C -0.833 175.545 176.300 0.131 0.000 0.987 611 R CA -0.804 55.386 56.100 0.149 0.000 0.908 611 R CB 2.003 32.356 30.300 0.088 0.000 1.213 611 R HN 0.396 nan 8.270 nan 0.000 0.468 612 I N 2.471 123.007 120.570 -0.057 0.000 2.385 612 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 612 I C -0.031 176.033 176.117 -0.087 0.000 0.988 612 I CA -0.352 60.803 61.300 -0.242 0.000 1.265 612 I CB 1.514 39.165 38.000 -0.582 0.000 1.388 612 I HN 0.414 nan 8.210 nan 0.000 0.480 613 M N 6.666 126.259 119.600 -0.013 0.000 2.457 613 M HA 0.637 5.117 4.480 -0.000 0.000 0.300 613 M C -2.053 174.273 176.300 0.043 0.000 1.141 613 M CA -0.597 54.722 55.300 0.031 0.000 0.901 613 M CB 2.277 34.916 32.600 0.066 0.000 1.687 613 M HN 0.307 nan 8.290 nan 0.000 0.449 614 V N 3.972 123.928 119.914 0.070 0.000 2.540 614 V HA 0.487 4.607 4.120 -0.000 0.000 0.302 614 V C -0.909 175.272 176.094 0.145 0.000 1.035 614 V CA -0.522 61.825 62.300 0.078 0.000 0.873 614 V CB 2.000 33.835 31.823 0.019 0.000 0.992 614 V HN 0.873 nan 8.190 nan 0.000 0.428 615 Q N 4.240 124.099 119.800 0.099 0.000 2.340 615 Q HA 0.699 5.038 4.340 -0.000 0.000 0.268 615 Q C -1.385 174.643 176.000 0.047 0.000 1.031 615 Q CA -0.483 55.366 55.803 0.076 0.000 0.804 615 Q CB 2.983 31.742 28.738 0.036 0.000 1.286 615 Q HN 0.645 nan 8.270 nan 0.000 0.448 616 I N 2.656 123.251 120.570 0.042 0.000 2.545 616 I HA 0.395 4.564 4.170 -0.000 0.000 0.292 616 I C -0.389 175.653 176.117 -0.125 0.000 1.040 616 I CA -0.550 60.772 61.300 0.036 0.000 1.068 616 I CB 1.871 39.970 38.000 0.165 0.000 1.251 616 I HN 0.611 nan 8.210 nan 0.000 0.424 617 Q N 2.783 122.541 119.800 -0.070 0.000 2.685 617 Q HA 0.520 4.859 4.340 -0.000 0.000 0.301 617 Q C -1.328 174.711 176.000 0.066 0.000 0.924 617 Q CA -0.887 54.842 55.803 -0.122 0.000 0.755 617 Q CB 1.880 30.531 28.738 -0.144 0.000 1.470 617 Q HN 0.412 nan 8.270 nan 0.000 0.434 618 S N 0.092 115.853 115.700 0.102 0.000 2.650 618 S HA 0.276 4.746 4.470 -0.000 0.000 0.240 618 S C -0.602 173.990 174.600 -0.014 0.000 1.007 618 S CA 0.328 58.513 58.200 -0.025 0.000 0.984 618 S CB 0.464 63.603 63.200 -0.101 0.000 0.910 618 S HN 0.622 nan 8.310 nan 0.000 0.509 619 S N -0.134 115.605 115.700 0.064 0.000 2.550 619 S HA 0.737 5.207 4.470 -0.000 0.000 0.270 619 S C -2.044 172.756 174.600 0.332 0.000 1.145 619 S CA -0.682 57.623 58.200 0.175 0.000 0.852 619 S CB 1.595 64.890 63.200 0.158 0.000 1.119 619 S HN 0.242 nan 8.310 nan 0.000 0.465 620 W N 2.302 123.745 121.300 0.238 0.000 1.896 620 W HA 0.521 5.181 4.660 -0.000 0.000 0.302 620 W C -2.149 174.532 176.519 0.270 0.000 1.016 620 W CA -1.706 55.807 57.345 0.279 0.000 1.200 620 W CB 0.869 30.497 29.460 0.280 0.000 1.226 620 W HN 0.685 nan 8.180 nan 0.000 0.308 621 F N 5.501 125.629 119.950 0.297 0.000 2.492 621 F HA 0.641 5.167 4.527 -0.000 0.000 0.327 621 F C -1.293 174.633 175.800 0.210 0.000 1.079 621 F CA -2.595 55.471 58.000 0.109 0.000 0.967 621 F CB 1.976 41.006 39.000 0.049 0.000 1.169 621 F HN -0.071 nan 8.300 nan 0.000 0.472 622 P HA 0.006 nan 4.420 nan 0.000 0.262 622 P C 1.405 178.106 177.300 -0.999 0.000 1.304 622 P CA 0.288 62.530 63.100 -1.429 0.000 0.859 622 P CB 0.265 31.172 31.700 -1.323 0.000 1.310 623 L N -0.121 120.466 121.223 -1.061 0.000 2.013 623 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 623 L C 0.289 176.508 176.870 -1.084 0.000 1.073 623 L CA 1.806 55.898 54.840 -1.246 0.000 0.753 623 L CB -1.252 39.562 42.059 -2.075 0.000 0.890 623 L HN -0.111 nan 8.230 nan 0.000 0.432 624 Y N 0.568 120.583 120.300 -0.475 0.000 2.360 624 Y HA 0.325 4.875 4.550 -0.000 0.000 0.337 624 Y C 0.118 175.994 175.900 -0.039 0.000 1.039 624 Y CA -1.955 56.011 58.100 -0.224 0.000 1.109 624 Y CB 0.540 38.989 38.460 -0.018 0.000 1.201 624 Y HN 0.208 nan 8.280 nan 0.000 0.458 625 D N 2.158 122.677 120.400 0.199 0.000 2.400 625 D HA 0.054 4.694 4.640 -0.000 0.000 0.238 625 D C -0.346 176.179 176.300 0.376 0.000 1.157 625 D CA -0.360 53.843 54.000 0.338 0.000 0.889 625 D CB 0.718 41.775 40.800 0.428 0.000 1.199 625 D HN 0.474 nan 8.370 nan 0.000 0.436 626 R N 0.897 121.642 120.500 0.409 0.000 2.490 626 R HA 0.152 4.492 4.340 -0.000 0.000 0.280 626 R C 0.557 177.016 176.300 0.265 0.000 1.077 626 R CA -0.599 55.673 56.100 0.286 0.000 1.065 626 R CB 0.363 30.754 30.300 0.152 0.000 1.003 626 R HN 0.457 nan 8.270 nan 0.000 0.470 627 N N 3.307 122.099 118.700 0.152 0.000 2.430 627 N HA 0.069 4.809 4.740 -0.000 0.000 0.265 627 N C -1.896 173.652 175.510 0.064 0.000 1.100 627 N CA -1.809 51.280 53.050 0.064 0.000 0.961 627 N CB 1.404 39.879 38.487 -0.020 0.000 1.075 627 N HN 0.269 nan 8.380 nan 0.000 0.478 628 P HA -0.077 nan 4.420 nan 0.000 0.222 628 P C -0.360 176.892 177.300 -0.080 0.000 1.147 628 P CA 0.968 63.938 63.100 -0.217 0.000 0.790 628 P CB 0.217 31.585 31.700 -0.554 0.000 0.780 629 Q N -2.790 116.977 119.800 -0.056 0.000 2.493 629 Q HA -0.203 4.137 4.340 -0.000 0.000 0.260 629 Q C 0.062 176.056 176.000 -0.010 0.000 0.905 629 Q CA 0.799 56.583 55.803 -0.031 0.000 1.140 629 Q CB -1.817 26.906 28.738 -0.024 0.000 1.435 629 Q HN 0.321 nan 8.270 nan 0.000 0.581 630 K N 0.252 120.636 120.400 -0.026 0.000 2.513 630 K HA 0.422 4.741 4.320 -0.000 0.000 0.251 630 K C -1.354 175.260 176.600 0.024 0.000 0.939 630 K CA -0.774 55.517 56.287 0.007 0.000 0.793 630 K CB 1.018 33.496 32.500 -0.037 0.000 1.241 630 K HN 0.005 nan 8.250 nan 0.000 0.431 631 F N 5.701 125.621 119.950 -0.050 0.000 2.502 631 F HA 0.238 4.765 4.527 -0.000 0.000 0.371 631 F C -0.378 175.391 175.800 -0.051 0.000 1.083 631 F CA 0.073 58.042 58.000 -0.051 0.000 1.174 631 F CB 0.531 39.512 39.000 -0.033 0.000 1.096 631 F HN 0.224 nan 8.300 nan 0.000 0.545 632 V N 4.805 124.371 119.914 -0.580 0.000 2.864 632 V HA 0.538 4.658 4.120 -0.000 0.000 0.314 632 V C -2.176 173.530 176.094 -0.648 0.000 1.073 632 V CA -1.928 60.115 62.300 -0.429 0.000 0.956 632 V CB 1.446 33.112 31.823 -0.262 0.000 1.023 632 V HN 0.521 nan 8.190 nan 0.000 0.435 633 P HA -0.079 nan 4.420 nan 0.000 0.216 633 P C 0.168 177.318 177.300 -0.249 0.000 1.153 633 P CA 1.492 64.415 63.100 -0.294 0.000 0.858 633 P CB 0.102 31.730 31.700 -0.119 0.000 0.789 634 N N -1.169 117.420 118.700 -0.185 0.000 2.519 634 N HA 0.180 4.920 4.740 -0.000 0.000 0.286 634 N C 0.597 176.042 175.510 -0.107 0.000 1.079 634 N CA -0.389 52.587 53.050 -0.124 0.000 0.878 634 N CB 0.770 39.207 38.487 -0.083 0.000 1.375 634 N HN -0.199 nan 8.380 nan 0.000 0.514 635 I N 2.281 122.757 120.570 -0.157 0.000 2.454 635 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 635 I C 1.409 177.531 176.117 0.009 0.000 1.156 635 I CA 1.068 62.297 61.300 -0.119 0.000 1.433 635 I CB -0.160 37.759 38.000 -0.134 0.000 1.082 635 I HN 0.481 nan 8.210 nan 0.000 0.432 636 F N 1.008 121.010 119.950 0.087 0.000 2.161 636 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 636 F C 1.751 177.679 175.800 0.214 0.000 1.089 636 F CA 1.011 59.116 58.000 0.175 0.000 1.282 636 F CB -0.168 38.898 39.000 0.111 0.000 1.010 636 F HN 0.133 nan 8.300 nan 0.000 0.485 637 D N 0.378 120.960 120.400 0.305 0.000 2.342 637 D HA 0.177 4.817 4.640 -0.000 0.000 0.221 637 D C 0.647 177.037 176.300 0.150 0.000 1.101 637 D CA 0.170 54.315 54.000 0.243 0.000 0.837 637 D CB -0.279 40.635 40.800 0.189 0.000 0.938 637 D HN 0.048 nan 8.370 nan 0.000 0.508 638 A N 0.974 123.867 122.820 0.122 0.000 2.531 638 A HA 0.086 4.406 4.320 -0.000 0.000 0.236 638 A C 0.666 178.327 177.584 0.128 0.000 1.062 638 A CA 0.345 52.393 52.037 0.018 0.000 0.760 638 A CB 0.461 19.375 19.000 -0.143 0.000 0.995 638 A HN -0.006 nan 8.150 nan 0.000 0.501 639 K N 2.439 122.881 120.400 0.071 0.000 2.139 639 K HA 0.385 4.705 4.320 -0.000 0.000 0.243 639 K C -1.948 174.796 176.600 0.240 0.000 0.983 639 K CA -1.851 54.522 56.287 0.143 0.000 0.890 639 K CB 0.866 33.413 32.500 0.078 0.000 1.090 639 K HN 0.293 nan 8.250 nan 0.000 0.445 640 P HA -0.233 nan 4.420 nan 0.000 0.216 640 P C 0.751 178.194 177.300 0.239 0.000 1.153 640 P CA 1.400 64.655 63.100 0.258 0.000 0.858 640 P CB 0.101 31.877 31.700 0.127 0.000 0.789 641 A N -0.524 122.377 122.820 0.134 0.000 2.121 641 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 641 A C 1.721 179.343 177.584 0.063 0.000 1.154 641 A CA 1.494 53.585 52.037 0.090 0.000 0.679 641 A CB -1.089 17.945 19.000 0.056 0.000 0.795 641 A HN 0.093 nan 8.150 nan 0.000 0.458 642 D N -1.340 119.069 120.400 0.015 0.000 2.347 642 D HA -0.006 4.634 4.640 -0.000 0.000 0.215 642 D C -0.427 175.754 176.300 -0.198 0.000 0.976 642 D CA 0.527 54.453 54.000 -0.123 0.000 0.884 642 D CB -0.197 40.453 40.800 -0.250 0.000 0.915 642 D HN 0.547 nan 8.370 nan 0.000 0.526 643 Y N 1.136 121.443 120.300 0.012 0.000 2.531 643 Y HA 0.186 4.736 4.550 -0.000 0.000 0.347 643 Y C 0.734 176.635 175.900 0.003 0.000 1.024 643 Y CA 0.060 58.161 58.100 0.002 0.000 1.306 643 Y CB 0.561 39.016 38.460 -0.009 0.000 1.149 643 Y HN -0.344 nan 8.280 nan 0.000 0.527 644 T N 3.019 117.630 114.554 0.094 0.000 2.841 644 T HA 0.441 4.791 4.350 -0.000 0.000 0.283 644 T C -0.301 174.435 174.700 0.061 0.000 1.000 644 T CA -0.859 61.281 62.100 0.066 0.000 0.977 644 T CB 1.428 70.315 68.868 0.033 0.000 0.979 644 T HN 0.202 nan 8.240 nan 0.000 0.446 645 V N 2.201 122.150 119.914 0.058 0.000 2.715 645 V HA 0.601 4.721 4.120 -0.000 0.000 0.299 645 V C 0.482 176.596 176.094 0.033 0.000 1.054 645 V CA -0.208 62.123 62.300 0.052 0.000 1.077 645 V CB 0.619 32.477 31.823 0.058 0.000 0.972 645 V HN 1.148 nan 8.190 nan 0.000 0.484 646 A N 3.427 126.258 122.820 0.018 0.000 2.539 646 A HA 0.780 5.099 4.320 -0.000 0.000 0.296 646 A C -0.329 177.240 177.584 -0.025 0.000 1.073 646 A CA -0.608 51.428 52.037 -0.002 0.000 0.700 646 A CB 1.832 20.820 19.000 -0.020 0.000 1.296 646 A HN 0.677 nan 8.150 nan 0.000 0.405 647 T N 2.912 117.452 114.554 -0.023 0.000 2.749 647 T HA 0.497 4.847 4.350 -0.000 0.000 0.287 647 T C -0.530 174.126 174.700 -0.073 0.000 0.970 647 T CA -0.367 61.705 62.100 -0.048 0.000 0.980 647 T CB 0.790 69.656 68.868 -0.003 0.000 0.924 647 T HN 0.566 nan 8.240 nan 0.000 0.456 648 Q N 1.776 121.439 119.800 -0.229 0.000 2.274 648 Q HA 0.626 4.966 4.340 -0.000 0.000 0.260 648 Q C -0.715 175.218 176.000 -0.112 0.000 0.974 648 Q CA -0.663 55.035 55.803 -0.176 0.000 0.876 648 Q CB 2.110 30.518 28.738 -0.550 0.000 1.297 648 Q HN 0.545 nan 8.270 nan 0.000 0.446 649 S N 1.827 117.578 115.700 0.084 0.000 2.672 649 S HA 0.515 4.985 4.470 -0.000 0.000 0.291 649 S C -0.491 174.201 174.600 0.154 0.000 1.145 649 S CA -0.572 57.699 58.200 0.118 0.000 1.013 649 S CB 0.657 63.918 63.200 0.102 0.000 1.017 649 S HN 0.371 nan 8.310 nan 0.000 0.487 650 I N 3.050 123.745 120.570 0.208 0.000 2.304 650 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 650 I C 0.287 176.506 176.117 0.170 0.000 1.018 650 I CA -0.303 61.110 61.300 0.188 0.000 1.260 650 I CB 0.510 38.663 38.000 0.255 0.000 1.390 650 I HN 0.629 nan 8.210 nan 0.000 0.475 651 H N 5.306 124.409 119.070 0.054 0.000 2.525 651 H HA 0.531 5.086 4.556 -0.000 0.000 0.339 651 H C -0.695 174.621 175.328 -0.021 0.000 1.109 651 H CA -0.105 55.915 56.048 -0.048 0.000 1.352 651 H CB 0.545 30.271 29.762 -0.061 0.000 1.461 651 H HN 0.748 nan 8.280 nan 0.000 0.533 652 H N 1.690 120.632 119.070 -0.214 0.000 2.851 652 H HA 0.611 5.167 4.556 -0.000 0.000 0.372 652 H C 0.196 175.432 175.328 -0.154 0.000 1.158 652 H CA -0.714 55.254 56.048 -0.134 0.000 1.159 652 H CB 1.221 30.889 29.762 -0.157 0.000 1.757 652 H HN 1.006 nan 8.280 nan 0.000 0.546 653 G N 0.117 108.920 108.800 0.004 0.000 2.796 653 G HA2 0.309 4.269 3.960 -0.000 0.000 0.571 653 G HA3 0.309 4.269 3.960 -0.000 0.000 0.571 653 G C 0.548 175.456 174.900 0.013 0.000 1.370 653 G CA 0.400 45.475 45.100 -0.042 0.000 0.856 653 G HN 2.154 nan 8.290 nan 0.000 0.538 654 G N -0.471 108.384 108.800 0.092 0.000 2.574 654 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.282 654 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.282 654 G C 1.023 175.957 174.900 0.056 0.000 1.257 654 G CA 1.257 46.399 45.100 0.069 0.000 0.956 654 G HN 1.561 nan 8.290 nan 0.000 0.560 655 K N 0.952 121.284 120.400 -0.112 0.000 2.366 655 K HA 0.087 4.407 4.320 -0.000 0.000 0.198 655 K C 1.150 177.431 176.600 -0.531 0.000 1.044 655 K CA 1.209 57.364 56.287 -0.220 0.000 0.973 655 K CB 0.177 32.552 32.500 -0.208 0.000 0.767 655 K HN 0.553 nan 8.250 nan 0.000 0.475 656 E N 0.921 120.721 120.200 -0.667 0.000 3.269 656 E HA 0.185 4.535 4.350 -0.000 0.000 0.221 656 E C -1.119 175.021 176.600 -0.766 0.000 1.113 656 E CA -0.397 55.181 56.400 -1.369 0.000 1.385 656 E CB 1.116 30.154 29.700 -1.104 0.000 1.345 656 E HN 0.138 nan 8.360 nan 0.000 0.435 657 A N 1.470 124.001 122.820 -0.482 0.000 2.539 657 A HA 0.159 4.479 4.320 -0.000 0.000 0.306 657 A C 0.491 178.176 177.584 0.168 0.000 1.392 657 A CA -0.209 51.761 52.037 -0.113 0.000 1.060 657 A CB -0.165 18.628 19.000 -0.346 0.000 1.134 657 A HN 0.109 nan 8.150 nan 0.000 0.542 658 T N 2.611 117.312 114.554 0.245 0.000 2.928 658 T HA 0.404 4.753 4.350 -0.000 0.000 0.305 658 T C 0.682 175.412 174.700 0.051 0.000 1.035 658 T CA 1.035 63.277 62.100 0.237 0.000 1.145 658 T CB 0.156 69.094 68.868 0.117 0.000 0.963 658 T HN 1.220 nan 8.240 nan 0.000 0.545 659 S N 2.118 117.792 115.700 -0.042 0.000 2.615 659 S HA 0.643 5.112 4.470 -0.000 0.000 0.269 659 S C -1.576 172.888 174.600 -0.226 0.000 1.161 659 S CA -1.112 56.964 58.200 -0.207 0.000 0.817 659 S CB 1.218 64.172 63.200 -0.410 0.000 1.131 659 S HN 0.430 nan 8.310 nan 0.000 0.467 660 I N 2.111 122.525 120.570 -0.261 0.000 2.355 660 I HA 0.318 4.488 4.170 -0.000 0.000 0.288 660 I C -0.541 175.450 176.117 -0.210 0.000 0.999 660 I CA -0.671 60.494 61.300 -0.225 0.000 1.163 660 I CB 1.238 39.129 38.000 -0.181 0.000 1.316 660 I HN 0.664 nan 8.210 nan 0.000 0.454 661 L N 7.061 128.172 121.223 -0.187 0.000 2.433 661 L HA 0.275 4.615 4.340 -0.000 0.000 0.284 661 L C 0.053 176.870 176.870 -0.087 0.000 1.120 661 L CA -0.112 54.648 54.840 -0.134 0.000 0.879 661 L CB -0.101 41.893 42.059 -0.108 0.000 1.232 661 L HN 0.348 nan 8.230 nan 0.000 0.454 662 L N 6.403 127.600 121.223 -0.043 0.000 2.312 662 L HA 0.339 4.679 4.340 -0.000 0.000 0.281 662 L C -1.726 175.151 176.870 0.013 0.000 1.070 662 L CA -1.715 53.132 54.840 0.011 0.000 0.805 662 L CB 1.329 43.436 42.059 0.080 0.000 1.174 662 L HN 0.354 nan 8.230 nan 0.000 0.434 663 P HA 0.079 nan 4.420 nan 0.000 0.225 663 P C -0.337 176.963 177.300 0.001 0.000 1.813 663 P CA -0.123 62.958 63.100 -0.032 0.000 1.013 663 P CB 0.091 31.748 31.700 -0.072 0.000 1.961 664 V N 3.356 123.279 119.914 0.014 0.000 2.572 664 V HA 0.128 4.248 4.120 -0.000 0.000 0.291 664 V C 1.096 177.179 176.094 -0.019 0.000 1.039 664 V CA 0.006 62.316 62.300 0.017 0.000 1.055 664 V CB 1.192 33.005 31.823 -0.017 0.000 0.969 664 V HN 0.301 nan 8.190 nan 0.000 0.482 665 V N 2.604 122.514 119.914 -0.006 0.000 3.001 665 V HA 0.694 4.814 4.120 -0.000 0.000 0.314 665 V C -0.328 175.762 176.094 -0.007 0.000 1.099 665 V CA -1.238 61.053 62.300 -0.014 0.000 0.989 665 V CB 1.846 33.664 31.823 -0.007 0.000 1.040 665 V HN 0.731 nan 8.190 nan 0.000 0.434 666 K N 0.000 120.396 120.400 -0.006 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 666 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543