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_A 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 4.718 125.127 120.400 0.014 0.000 2.358 51 D HA 0.126 4.766 4.640 -0.001 0.000 0.258 51 D C -1.171 175.110 176.300 -0.031 0.000 1.223 51 D CA -1.914 52.068 54.000 -0.030 0.000 0.886 51 D CB 1.264 42.064 40.800 0.000 0.000 1.120 51 D HN 0.289 nan 8.370 nan 0.000 0.482 52 P HA -0.072 nan 4.420 nan 0.000 0.226 52 P C 1.160 178.453 177.300 -0.012 0.000 1.153 52 P CA 0.604 63.677 63.100 -0.045 0.000 0.777 52 P CB 0.260 31.916 31.700 -0.073 0.000 0.794 53 L N -1.397 119.819 121.223 -0.013 0.000 2.612 53 L HA 0.145 4.484 4.340 -0.001 0.000 0.230 53 L C 1.682 178.555 176.870 0.004 0.000 1.140 53 L CA 0.455 55.292 54.840 -0.004 0.000 0.896 53 L CB -0.285 41.770 42.059 -0.007 0.000 1.065 53 L HN -0.050 nan 8.230 nan 0.000 0.447 54 S N -1.938 113.769 115.700 0.012 0.000 2.918 54 S HA 0.188 4.658 4.470 -0.001 0.000 0.264 54 S C 0.325 174.942 174.600 0.029 0.000 1.078 54 S CA -0.194 58.017 58.200 0.018 0.000 0.918 54 S CB 1.136 64.346 63.200 0.017 0.000 0.882 54 S HN -0.047 nan 8.310 nan 0.000 0.466 55 V N 3.183 123.124 119.914 0.046 0.000 2.357 55 V HA 0.591 4.710 4.120 -0.001 0.000 0.284 55 V C -0.665 175.478 176.094 0.082 0.000 1.018 55 V CA -0.513 61.826 62.300 0.065 0.000 0.841 55 V CB 1.344 33.225 31.823 0.098 0.000 0.991 55 V HN 0.243 nan 8.190 nan 0.000 0.437 56 Q N 3.201 123.035 119.800 0.057 0.000 2.347 56 Q HA 0.445 4.785 4.340 -0.001 0.000 0.262 56 Q C 0.627 176.656 176.000 0.048 0.000 0.980 56 Q CA -0.002 55.834 55.803 0.055 0.000 0.867 56 Q CB 1.769 30.526 28.738 0.033 0.000 1.242 56 Q HN 0.883 nan 8.270 nan 0.000 0.453 57 T N -0.142 114.449 114.554 0.061 0.000 3.001 57 T HA 0.398 4.748 4.350 -0.001 0.000 0.251 57 T C 0.809 175.525 174.700 0.026 0.000 1.040 57 T CA 0.268 62.384 62.100 0.027 0.000 0.985 57 T CB 0.492 69.355 68.868 -0.008 0.000 1.011 57 T HN 0.463 nan 8.240 nan 0.000 0.509 58 G N 1.100 109.923 108.800 0.038 0.000 2.945 58 G HA2 0.535 4.495 3.960 -0.001 0.000 0.156 58 G HA3 0.535 4.495 3.960 -0.001 0.000 0.156 58 G C -0.779 174.133 174.900 0.020 0.000 1.375 58 G CA -0.501 44.616 45.100 0.029 0.000 1.039 58 G HN 0.353 nan 8.290 nan 0.000 0.586 59 S N -1.038 114.672 115.700 0.018 0.000 2.501 59 S HA 0.389 4.858 4.470 -0.001 0.000 0.301 59 S C -0.084 174.523 174.600 0.013 0.000 1.096 59 S CA -0.586 57.622 58.200 0.013 0.000 1.063 59 S CB 1.562 64.769 63.200 0.011 0.000 1.042 59 S HN 0.334 nan 8.310 nan 0.000 0.494 60 D N 2.622 123.028 120.400 0.011 0.000 2.349 60 D HA 0.201 4.841 4.640 -0.001 0.000 0.224 60 D C 0.018 176.323 176.300 0.008 0.000 1.029 60 D CA 0.522 54.528 54.000 0.010 0.000 0.879 60 D CB 0.052 40.857 40.800 0.009 0.000 0.906 60 D HN 0.515 nan 8.370 nan 0.000 0.528 61 I N 2.914 123.489 120.570 0.008 0.000 2.297 61 I HA 0.159 4.329 4.170 -0.001 0.000 0.291 61 I C -1.548 174.574 176.117 0.008 0.000 1.033 61 I CA -1.693 59.611 61.300 0.007 0.000 1.253 61 I CB 0.949 38.953 38.000 0.007 0.000 1.396 61 I HN -0.214 nan 8.210 nan 0.000 0.476 73 R N 2.037 122.464 120.500 -0.122 0.000 2.679 73 R HA 0.045 4.384 4.340 -0.001 0.000 0.269 73 R C 0.201 176.418 176.300 -0.138 0.000 1.076 73 R CA 0.732 56.714 56.100 -0.197 0.000 1.160 73 R CB 0.259 30.247 30.300 -0.520 0.000 1.054 73 R HN 0.123 nan 8.270 nan 0.000 0.507 74 D N 0.557 120.935 120.400 -0.037 0.000 2.463 74 D HA 0.040 4.679 4.640 -0.001 0.000 0.224 74 D C -0.615 175.771 176.300 0.143 0.000 1.174 74 D CA -0.179 53.853 54.000 0.054 0.000 0.829 74 D CB -0.136 40.722 40.800 0.097 0.000 0.993 74 D HN 0.488 nan 8.370 nan 0.000 0.497 75 Y N -1.285 119.030 120.300 0.024 0.000 2.656 75 Y HA 0.563 5.113 4.550 -0.001 0.000 0.334 75 Y C -1.386 174.531 175.900 0.028 0.000 1.179 75 Y CA -1.881 56.236 58.100 0.029 0.000 1.050 75 Y CB 0.944 39.426 38.460 0.037 0.000 1.308 75 Y HN -0.051 nan 8.280 nan 0.000 0.456 76 I N 0.289 120.967 120.570 0.180 0.000 2.569 76 I HA 0.688 4.857 4.170 -0.001 0.000 0.296 76 I C -1.352 174.923 176.117 0.263 0.000 1.028 76 I CA -1.076 60.279 61.300 0.093 0.000 1.082 76 I CB 2.296 40.321 38.000 0.042 0.000 1.264 76 I HN 0.768 nan 8.210 nan 0.000 0.429 77 K N 5.764 126.298 120.400 0.223 0.000 2.274 77 K HA 0.585 4.905 4.320 -0.001 0.000 0.262 77 K C -1.055 175.617 176.600 0.120 0.000 0.961 77 K CA -0.698 55.718 56.287 0.214 0.000 0.833 77 K CB 1.705 34.366 32.500 0.269 0.000 1.102 77 K HN 0.751 nan 8.250 nan 0.000 0.436 78 R N 2.593 123.148 120.500 0.091 0.000 2.637 78 R HA 0.280 4.620 4.340 -0.001 0.000 0.291 78 R C -0.931 175.372 176.300 0.005 0.000 0.963 78 R CA -0.767 55.368 56.100 0.059 0.000 0.901 78 R CB 1.986 32.330 30.300 0.074 0.000 1.160 78 R HN 0.595 nan 8.270 nan 0.000 0.457 79 E N 1.935 122.124 120.200 -0.020 0.000 2.165 79 E HA 0.412 4.762 4.350 -0.001 0.000 0.266 79 E C -1.081 175.443 176.600 -0.126 0.000 0.889 79 E CA -0.734 55.583 56.400 -0.139 0.000 0.756 79 E CB 2.327 32.025 29.700 -0.004 0.000 1.131 79 E HN 0.136 nan 8.360 nan 0.000 0.411 80 V N 2.670 122.434 119.914 -0.249 0.000 2.925 80 V HA 0.395 4.514 4.120 -0.001 0.000 0.311 80 V C -0.472 175.453 176.094 -0.282 0.000 1.104 80 V CA -1.058 61.113 62.300 -0.215 0.000 0.954 80 V CB 2.070 33.732 31.823 -0.269 0.000 1.022 80 V HN 0.696 nan 8.190 nan 0.000 0.427 81 M N 3.278 122.759 119.600 -0.197 0.000 2.055 81 M HA 0.403 4.883 4.480 -0.001 0.000 0.347 81 M C -0.680 175.442 176.300 -0.297 0.000 1.123 81 M CA -0.370 54.836 55.300 -0.157 0.000 1.035 81 M CB 0.943 33.521 32.600 -0.037 0.000 1.484 81 M HN 0.404 nan 8.290 nan 0.000 0.428 82 V N 7.316 126.983 119.914 -0.412 0.000 2.408 82 V HA 0.282 4.402 4.120 -0.001 0.000 0.267 82 V C -1.867 174.071 176.094 -0.261 0.000 1.047 82 V CA -1.298 60.648 62.300 -0.590 0.000 0.937 82 V CB 0.842 32.260 31.823 -0.674 0.000 0.999 82 V HN 0.564 nan 8.190 nan 0.000 0.472 83 P HA 0.279 nan 4.420 nan 0.000 0.281 83 P C -0.451 176.860 177.300 0.018 0.000 1.252 83 P CA -0.404 62.675 63.100 -0.035 0.000 0.778 83 P CB 0.945 32.653 31.700 0.013 0.000 0.895 84 M N 2.994 122.616 119.600 0.037 0.000 2.219 84 M HA 0.233 4.712 4.480 -0.001 0.000 0.280 84 M C 2.169 178.514 176.300 0.075 0.000 1.189 84 M CA -0.476 54.867 55.300 0.071 0.000 1.010 84 M CB 0.046 32.688 32.600 0.070 0.000 1.422 84 M HN 0.411 nan 8.290 nan 0.000 0.504 85 R N 0.729 121.278 120.500 0.080 0.000 2.159 85 R HA -0.156 4.184 4.340 -0.001 0.000 0.237 85 R C 0.546 176.870 176.300 0.040 0.000 1.131 85 R CA 1.915 58.050 56.100 0.058 0.000 0.982 85 R CB -0.611 29.710 30.300 0.035 0.000 0.868 85 R HN 0.686 nan 8.270 nan 0.000 0.453 86 D N -0.808 119.616 120.400 0.040 0.000 2.328 86 D HA 0.096 4.736 4.640 -0.001 0.000 0.221 86 D C 1.146 177.466 176.300 0.034 0.000 1.072 86 D CA 0.608 54.627 54.000 0.033 0.000 0.850 86 D CB 0.557 41.377 40.800 0.034 0.000 0.922 86 D HN 0.460 nan 8.370 nan 0.000 0.516 87 G N -0.112 108.710 108.800 0.038 0.000 2.234 87 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.235 87 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.235 87 G C 0.252 175.171 174.900 0.032 0.000 0.997 87 G CA 0.076 45.197 45.100 0.034 0.000 0.623 87 G HN 0.358 nan 8.290 nan 0.000 0.514 88 V N 2.100 122.036 119.914 0.036 0.000 2.585 88 V HA 0.323 4.442 4.120 -0.001 0.000 0.296 88 V C 0.701 176.813 176.094 0.029 0.000 1.035 88 V CA 0.582 62.904 62.300 0.038 0.000 1.084 88 V CB 1.147 33.000 31.823 0.050 0.000 0.953 88 V HN 0.364 nan 8.190 nan 0.000 0.483 89 K N 5.982 126.396 120.400 0.023 0.000 2.206 89 K HA 0.634 4.953 4.320 -0.001 0.000 0.264 89 K C -1.037 175.574 176.600 0.018 0.000 0.967 89 K CA -0.505 55.782 56.287 0.001 0.000 0.844 89 K CB 1.621 34.117 32.500 -0.005 0.000 1.099 89 K HN 0.491 nan 8.250 nan 0.000 0.441 90 L N 3.249 124.469 121.223 -0.005 0.000 2.307 90 L HA 0.330 4.669 4.340 -0.001 0.000 0.284 90 L C -0.359 176.531 176.870 0.034 0.000 1.023 90 L CA -1.177 53.685 54.840 0.036 0.000 0.810 90 L CB 0.541 42.618 42.059 0.031 0.000 1.231 90 L HN 0.568 nan 8.230 nan 0.000 0.423 91 Y N 2.802 123.091 120.300 -0.017 0.000 2.605 91 Y HA 0.115 4.665 4.550 -0.001 0.000 0.336 91 Y C -0.121 175.770 175.900 -0.016 0.000 1.111 91 Y CA 0.182 58.271 58.100 -0.018 0.000 1.422 91 Y CB 0.442 38.911 38.460 0.014 0.000 1.193 91 Y HN 0.490 nan 8.280 nan 0.000 0.526 92 T N 6.471 120.708 114.554 -0.529 0.000 2.824 92 T HA 0.507 4.857 4.350 -0.001 0.000 0.282 92 T C -1.049 173.356 174.700 -0.491 0.000 0.993 92 T CA -0.693 61.172 62.100 -0.390 0.000 0.967 92 T CB 1.216 69.912 68.868 -0.286 0.000 0.960 92 T HN 0.364 nan 8.240 nan 0.000 0.441 93 V N 4.506 124.258 119.914 -0.270 0.000 2.384 93 V HA 0.538 4.657 4.120 -0.001 0.000 0.287 93 V C -0.587 175.511 176.094 0.006 0.000 1.020 93 V CA -0.802 61.417 62.300 -0.135 0.000 0.850 93 V CB 1.122 32.944 31.823 -0.002 0.000 0.987 93 V HN 0.754 nan 8.190 nan 0.000 0.436 94 I N 5.316 125.898 120.570 0.021 0.000 2.382 94 I HA 0.455 4.625 4.170 -0.001 0.000 0.286 94 I C -0.315 175.854 176.117 0.087 0.000 1.002 94 I CA -0.393 60.943 61.300 0.060 0.000 1.135 94 I CB 1.957 40.003 38.000 0.076 0.000 1.288 94 I HN 0.278 nan 8.210 nan 0.000 0.448 95 V N 7.446 127.413 119.914 0.088 0.000 2.357 95 V HA 0.491 4.611 4.120 -0.001 0.000 0.284 95 V C 0.010 176.164 176.094 0.099 0.000 1.018 95 V CA -0.415 61.942 62.300 0.095 0.000 0.841 95 V CB 1.169 33.005 31.823 0.022 0.000 0.991 95 V HN 0.484 nan 8.190 nan 0.000 0.437 96 I N 7.227 127.880 120.570 0.139 0.000 2.406 96 I HA 0.435 4.604 4.170 -0.001 0.000 0.290 96 I C -2.465 173.741 176.117 0.148 0.000 0.999 96 I CA -2.276 59.093 61.300 0.115 0.000 1.124 96 I CB 2.578 40.630 38.000 0.087 0.000 1.289 96 I HN 0.395 nan 8.210 nan 0.000 0.441 97 P HA 0.098 nan 4.420 nan 0.000 0.269 97 P C -0.757 176.596 177.300 0.089 0.000 1.209 97 P CA -0.410 62.764 63.100 0.123 0.000 0.776 97 P CB 0.505 32.259 31.700 0.090 0.000 0.876 98 K N 2.248 122.696 120.400 0.080 0.000 2.436 98 K HA -0.012 4.308 4.320 -0.001 0.000 0.275 98 K C 0.488 177.105 176.600 0.027 0.000 0.999 98 K CA 0.527 56.838 56.287 0.040 0.000 0.980 98 K CB -0.518 31.994 32.500 0.020 0.000 0.919 98 K HN 0.443 nan 8.250 nan 0.000 0.484 99 N N -0.287 118.422 118.700 0.015 0.000 2.714 99 N HA -0.250 4.490 4.740 -0.001 0.000 0.250 99 N C -1.109 174.403 175.510 0.005 0.000 1.117 99 N CA 0.579 53.633 53.050 0.007 0.000 0.719 99 N CB -0.683 37.807 38.487 0.004 0.000 1.081 99 N HN 0.631 nan 8.380 nan 0.000 0.557 100 A N 0.639 123.464 122.820 0.010 0.000 2.401 100 A HA 0.603 4.923 4.320 -0.001 0.000 0.259 100 A C 0.567 178.143 177.584 -0.013 0.000 1.103 100 A CA 0.210 52.248 52.037 0.002 0.000 0.789 100 A CB 0.618 19.625 19.000 0.012 0.000 1.035 100 A HN 0.356 nan 8.150 nan 0.000 0.491 101 R N 1.596 122.080 120.500 -0.027 0.000 2.548 101 R HA 0.363 4.702 4.340 -0.001 0.000 0.280 101 R C -0.642 175.626 176.300 -0.052 0.000 1.061 101 R CA -0.364 55.715 56.100 -0.036 0.000 0.915 101 R CB 0.772 31.054 30.300 -0.031 0.000 1.210 101 R HN 0.982 nan 8.270 nan 0.000 0.442 102 N N 0.772 119.434 118.700 -0.063 0.000 2.740 102 N HA -0.257 4.482 4.740 -0.001 0.000 0.248 102 N C -1.081 174.367 175.510 -0.103 0.000 1.062 102 N CA 0.711 53.713 53.050 -0.080 0.000 0.704 102 N CB -0.610 37.833 38.487 -0.073 0.000 0.968 102 N HN 0.572 nan 8.380 nan 0.000 0.547 103 A N 0.403 123.160 122.820 -0.105 0.000 2.309 103 A HA 0.615 4.935 4.320 -0.001 0.000 0.298 103 A C -1.888 175.586 177.584 -0.185 0.000 1.165 103 A CA -1.299 50.650 52.037 -0.146 0.000 0.821 103 A CB 0.761 19.704 19.000 -0.094 0.000 1.102 103 A HN 0.075 nan 8.150 nan 0.000 0.500 104 P HA 0.345 nan 4.420 nan 0.000 0.274 104 P C -0.744 176.469 177.300 -0.145 0.000 1.246 104 P CA 0.003 62.935 63.100 -0.281 0.000 0.795 104 P CB 0.738 32.150 31.700 -0.480 0.000 1.006 105 I N 1.272 121.814 120.570 -0.046 0.000 2.377 105 I HA 0.288 4.458 4.170 -0.001 0.000 0.293 105 I C 0.054 176.206 176.117 0.058 0.000 0.987 105 I CA -0.950 60.357 61.300 0.011 0.000 1.185 105 I CB 1.516 39.498 38.000 -0.029 0.000 1.341 105 I HN 0.147 nan 8.210 nan 0.000 0.455 106 L N 7.652 128.895 121.223 0.033 0.000 2.298 106 L HA 0.547 4.887 4.340 -0.001 0.000 0.284 106 L C -1.102 175.669 176.870 -0.166 0.000 1.013 106 L CA -0.414 54.376 54.840 -0.085 0.000 0.824 106 L CB 1.368 43.240 42.059 -0.312 0.000 1.221 106 L HN 0.469 nan 8.230 nan 0.000 0.418 107 L N 4.645 125.786 121.223 -0.136 0.000 2.329 107 L HA 0.795 5.134 4.340 -0.001 0.000 0.279 107 L C -0.678 176.084 176.870 -0.182 0.000 1.014 107 L CA 0.334 55.075 54.840 -0.165 0.000 0.814 107 L CB 2.168 44.178 42.059 -0.083 0.000 1.257 107 L HN 0.657 nan 8.230 nan 0.000 0.424 108 T N 4.700 119.097 114.554 -0.262 0.000 2.881 108 T HA 0.575 4.924 4.350 -0.001 0.000 0.290 108 T C -0.739 173.960 174.700 -0.002 0.000 1.000 108 T CA -0.623 61.384 62.100 -0.154 0.000 0.978 108 T CB 1.307 70.004 68.868 -0.286 0.000 0.997 108 T HN 0.545 nan 8.240 nan 0.000 0.443 109 R N 1.514 122.076 120.500 0.104 0.000 2.387 109 R HA 0.765 5.105 4.340 -0.001 0.000 0.314 109 R C -0.377 176.058 176.300 0.226 0.000 0.958 109 R CA -0.811 55.384 56.100 0.159 0.000 0.846 109 R CB 1.867 32.257 30.300 0.150 0.000 1.147 109 R HN 0.542 nan 8.270 nan 0.000 0.447 110 T N 1.848 116.525 114.554 0.205 0.000 2.903 110 T HA 0.440 4.790 4.350 -0.001 0.000 0.299 110 T C -2.362 172.318 174.700 -0.034 0.000 1.093 110 T CA -2.053 60.132 62.100 0.142 0.000 1.002 110 T CB 1.907 70.917 68.868 0.237 0.000 1.127 110 T HN 0.364 nan 8.240 nan 0.000 0.488 111 P HA 0.250 nan 4.420 nan 0.000 0.268 111 P C -0.469 176.581 177.300 -0.417 0.000 1.329 111 P CA -0.034 62.753 63.100 -0.522 0.000 0.899 111 P CB -0.076 30.990 31.700 -1.056 0.000 1.378 112 Y N 0.568 120.879 120.300 0.018 0.000 2.774 112 Y HA 0.322 4.872 4.550 -0.001 0.000 0.305 112 Y C 0.473 176.197 175.900 -0.293 0.000 1.067 112 Y CA -1.347 56.732 58.100 -0.035 0.000 1.304 112 Y CB -1.163 37.312 38.460 0.026 0.000 1.209 112 Y HN 0.062 nan 8.280 nan 0.000 0.543 113 N N 0.362 118.765 118.700 -0.494 0.000 2.469 113 N HA -0.212 4.528 4.740 -0.001 0.000 0.283 113 N C 0.881 176.213 175.510 -0.297 0.000 1.326 113 N CA 0.217 52.776 53.050 -0.818 0.000 0.646 113 N CB -0.220 37.542 38.487 -1.208 0.000 0.894 113 N HN 0.532 nan 8.380 nan 0.000 0.533 114 A N 3.498 126.268 122.820 -0.085 0.000 1.940 114 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 114 A C 1.965 179.553 177.584 0.008 0.000 1.176 114 A CA 1.923 53.988 52.037 0.047 0.000 0.631 114 A CB -0.262 18.886 19.000 0.247 0.000 0.814 114 A HN 0.769 nan 8.150 nan 0.000 0.446 115 K N -0.730 119.712 120.400 0.069 0.000 2.026 115 K HA -0.121 4.198 4.320 -0.001 0.000 0.208 115 K C 2.043 178.600 176.600 -0.073 0.000 1.048 115 K CA 1.508 57.838 56.287 0.070 0.000 0.929 115 K CB -0.543 31.969 32.500 0.020 0.000 0.713 115 K HN 0.386 nan 8.250 nan 0.000 0.439 116 G N 0.941 109.650 108.800 -0.152 0.000 2.408 116 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 116 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 116 G C 1.438 176.208 174.900 -0.217 0.000 1.150 116 G CA 0.180 45.183 45.100 -0.162 0.000 0.776 116 G HN 0.178 nan 8.290 nan 0.000 0.542 117 R N 0.878 121.181 120.500 -0.328 0.000 2.120 117 R HA 0.007 4.346 4.340 -0.001 0.000 0.234 117 R C 2.276 178.139 176.300 -0.728 0.000 1.123 117 R CA 1.109 56.869 56.100 -0.567 0.000 0.975 117 R CB -0.743 29.046 30.300 -0.851 0.000 0.866 117 R HN 0.343 nan 8.270 nan 0.000 0.446 118 A N 0.713 123.192 122.820 -0.569 0.000 2.462 118 A HA 0.137 4.457 4.320 -0.001 0.000 0.261 118 A C 0.173 177.661 177.584 -0.160 0.000 1.323 118 A CA -0.133 51.713 52.037 -0.319 0.000 0.913 118 A CB -0.026 18.913 19.000 -0.102 0.000 1.028 118 A HN 0.073 nan 8.150 nan 0.000 0.511 119 N N -0.065 118.544 118.700 -0.153 0.000 2.628 119 N HA 0.105 4.845 4.740 -0.001 0.000 0.299 119 N C 1.052 176.520 175.510 -0.071 0.000 1.834 119 N CA -0.289 52.713 53.050 -0.081 0.000 0.871 119 N CB 0.160 38.617 38.487 -0.049 0.000 1.377 119 N HN 0.378 nan 8.380 nan 0.000 0.493 120 R N -0.277 120.176 120.500 -0.079 0.000 2.094 120 R HA -0.024 4.315 4.340 -0.001 0.000 0.239 120 R C -0.252 176.034 176.300 -0.023 0.000 1.137 120 R CA 1.362 57.433 56.100 -0.048 0.000 0.943 120 R CB -0.053 30.224 30.300 -0.037 0.000 0.850 120 R HN 0.007 nan 8.270 nan 0.000 0.433 121 V N 4.401 124.305 119.914 -0.016 0.000 2.313 121 V HA 0.248 4.367 4.120 -0.001 0.000 0.278 121 V C -2.229 173.871 176.094 0.010 0.000 1.017 121 V CA -1.867 60.434 62.300 0.002 0.000 0.823 121 V CB 1.487 33.318 31.823 0.012 0.000 1.010 121 V HN 0.248 nan 8.190 nan 0.000 0.443 122 P HA 0.013 nan 4.420 nan 0.000 0.260 122 P C 0.259 177.587 177.300 0.047 0.000 1.185 122 P CA 0.539 63.651 63.100 0.020 0.000 0.763 122 P CB -0.099 31.610 31.700 0.014 0.000 0.776 123 N N -0.411 118.334 118.700 0.074 0.000 2.708 123 N HA -0.208 4.531 4.740 -0.001 0.000 0.249 123 N C 0.217 175.808 175.510 0.135 0.000 1.097 123 N CA 0.392 53.512 53.050 0.116 0.000 0.710 123 N CB -1.315 37.216 38.487 0.074 0.000 1.032 123 N HN 0.626 nan 8.380 nan 0.000 0.551 124 A N -0.050 122.857 122.820 0.145 0.000 2.448 124 A HA 0.250 4.570 4.320 -0.001 0.000 0.239 124 A C 1.390 179.108 177.584 0.223 0.000 1.080 124 A CA -0.042 52.079 52.037 0.139 0.000 0.779 124 A CB 0.290 19.348 19.000 0.098 0.000 1.026 124 A HN 0.355 nan 8.150 nan 0.000 0.499 125 L N 0.459 121.769 121.223 0.146 0.000 2.395 125 L HA 0.037 4.376 4.340 -0.001 0.000 0.218 125 L C 1.317 178.306 176.870 0.198 0.000 1.130 125 L CA 1.226 56.139 54.840 0.120 0.000 0.826 125 L CB -0.775 41.318 42.059 0.057 0.000 0.941 125 L HN 0.912 nan 8.230 nan 0.000 0.451 126 T N -4.687 110.009 114.554 0.237 0.000 2.887 126 T HA 0.290 4.639 4.350 -0.001 0.000 0.288 126 T C 0.585 175.400 174.700 0.191 0.000 1.021 126 T CA -0.707 61.529 62.100 0.227 0.000 1.000 126 T CB 2.379 71.313 68.868 0.110 0.000 1.034 126 T HN -0.013 nan 8.240 nan 0.000 0.467 127 M N 0.799 120.493 119.600 0.157 0.000 2.175 127 M HA 0.024 4.503 4.480 -0.001 0.000 0.264 127 M C 2.370 178.616 176.300 -0.091 0.000 1.063 127 M CA 1.423 56.646 55.300 -0.129 0.000 1.119 127 M CB -0.216 32.374 32.600 -0.017 0.000 1.377 127 M HN 0.762 nan 8.290 nan 0.000 0.415 128 R N 0.719 121.214 120.500 -0.008 0.000 2.091 128 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 128 R C 1.613 177.903 176.300 -0.017 0.000 1.136 128 R CA 2.266 58.362 56.100 -0.007 0.000 0.959 128 R CB -0.411 29.895 30.300 0.010 0.000 0.856 128 R HN 0.527 nan 8.270 nan 0.000 0.437 129 E N -0.978 119.218 120.200 -0.007 0.000 2.152 129 E HA -0.101 4.249 4.350 -0.001 0.000 0.192 129 E C 1.857 178.436 176.600 -0.034 0.000 0.983 129 E CA 1.101 57.497 56.400 -0.006 0.000 0.818 129 E CB -0.017 29.697 29.700 0.023 0.000 0.758 129 E HN 0.143 nan 8.360 nan 0.000 0.467 130 V N 1.098 120.959 119.914 -0.089 0.000 2.719 130 V HA -0.032 4.087 4.120 -0.001 0.000 0.252 130 V C 0.818 176.838 176.094 -0.122 0.000 1.065 130 V CA 0.752 62.971 62.300 -0.135 0.000 1.086 130 V CB 0.038 31.675 31.823 -0.309 0.000 0.700 130 V HN 0.067 nan 8.190 nan 0.000 0.467 131 L N 0.818 121.982 121.223 -0.098 0.000 2.379 131 L HA 0.416 4.755 4.340 -0.001 0.000 0.269 131 L C -2.150 174.711 176.870 -0.016 0.000 1.084 131 L CA -1.992 52.827 54.840 -0.035 0.000 0.802 131 L CB 0.782 42.847 42.059 0.010 0.000 1.175 131 L HN 0.017 nan 8.230 nan 0.000 0.448 132 P HA -0.051 nan 4.420 nan 0.000 0.269 132 P C 0.058 177.345 177.300 -0.022 0.000 1.217 132 P CA -0.136 62.960 63.100 -0.007 0.000 0.783 132 P CB 0.472 32.176 31.700 0.006 0.000 0.898 133 Q N 1.368 121.143 119.800 -0.043 0.000 2.135 133 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 133 Q C 1.962 177.910 176.000 -0.086 0.000 0.981 133 Q CA 2.212 57.984 55.803 -0.050 0.000 0.856 133 Q CB -0.980 27.749 28.738 -0.016 0.000 0.902 133 Q HN 0.693 nan 8.270 nan 0.000 0.425 134 G N -0.103 108.603 108.800 -0.157 0.000 2.509 134 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.218 134 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.218 134 G C 0.505 175.391 174.900 -0.022 0.000 1.124 134 G CA 0.823 45.851 45.100 -0.119 0.000 0.776 134 G HN 0.377 nan 8.290 nan 0.000 0.547 135 D N 0.736 121.139 120.400 0.004 0.000 2.340 135 D HA 0.042 4.682 4.640 -0.001 0.000 0.217 135 D C 1.905 178.218 176.300 0.023 0.000 1.081 135 D CA 0.398 54.435 54.000 0.061 0.000 0.842 135 D CB 0.125 40.961 40.800 0.059 0.000 0.934 135 D HN 0.396 nan 8.370 nan 0.000 0.511 136 D N 0.890 121.273 120.400 -0.028 0.000 2.116 136 D HA -0.203 4.436 4.640 -0.001 0.000 0.193 136 D C 2.025 178.260 176.300 -0.109 0.000 0.998 136 D CA 1.661 55.635 54.000 -0.043 0.000 0.836 136 D CB -0.863 39.926 40.800 -0.018 0.000 0.951 136 D HN 0.281 nan 8.370 nan 0.000 0.449 137 V N -2.631 117.127 119.914 -0.260 0.000 2.759 137 V HA -0.047 4.073 4.120 -0.001 0.000 0.256 137 V C 2.250 177.992 176.094 -0.587 0.000 1.080 137 V CA 0.989 63.014 62.300 -0.459 0.000 1.101 137 V CB -1.199 30.205 31.823 -0.699 0.000 0.698 137 V HN -0.015 nan 8.190 nan 0.000 0.477 138 F N 0.197 119.943 119.950 -0.340 0.000 2.416 138 F HA 0.194 4.720 4.527 -0.001 0.000 0.296 138 F C 2.303 178.039 175.800 -0.106 0.000 1.099 138 F CA 1.006 58.758 58.000 -0.413 0.000 1.427 138 F CB -0.496 38.101 39.000 -0.672 0.000 1.079 138 F HN -0.015 nan 8.300 nan 0.000 0.536 139 V N 0.007 119.955 119.914 0.057 0.000 2.379 139 V HA -0.227 3.892 4.120 -0.001 0.000 0.245 139 V C 2.051 178.178 176.094 0.055 0.000 1.044 139 V CA 1.807 64.147 62.300 0.066 0.000 1.036 139 V CB -0.560 31.280 31.823 0.028 0.000 0.664 139 V HN 0.282 nan 8.190 nan 0.000 0.453 140 E N 0.497 120.699 120.200 0.003 0.000 2.153 140 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 140 E C 2.139 178.755 176.600 0.027 0.000 0.988 140 E CA 1.149 57.549 56.400 -0.000 0.000 0.811 140 E CB -0.340 29.336 29.700 -0.039 0.000 0.746 140 E HN 0.636 nan 8.360 nan 0.000 0.466 141 G N -0.310 108.529 108.800 0.065 0.000 2.985 141 G HA2 0.153 4.113 3.960 -0.001 0.000 0.209 141 G HA3 0.153 4.113 3.960 -0.001 0.000 0.209 141 G C 0.997 176.026 174.900 0.216 0.000 1.165 141 G CA 0.183 45.380 45.100 0.161 0.000 0.776 141 G HN 0.374 nan 8.290 nan 0.000 0.541 142 G N -1.196 107.720 108.800 0.194 0.000 2.137 142 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.237 142 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.237 142 G C 0.134 175.120 174.900 0.143 0.000 1.002 142 G CA -0.017 45.162 45.100 0.131 0.000 0.702 142 G HN 0.359 nan 8.290 nan 0.000 0.515 143 Y N -0.359 119.978 120.300 0.062 0.000 2.379 143 Y HA 0.548 5.098 4.550 -0.001 0.000 0.337 143 Y C 1.550 177.463 175.900 0.023 0.000 1.238 143 Y CA -0.568 57.563 58.100 0.052 0.000 1.405 143 Y CB 0.513 39.025 38.460 0.086 0.000 1.310 143 Y HN 0.176 nan 8.280 nan 0.000 0.569 144 I N 2.991 123.643 120.570 0.137 0.000 2.428 144 I HA 0.285 4.454 4.170 -0.001 0.000 0.289 144 I C -0.087 176.072 176.117 0.070 0.000 1.019 144 I CA -0.642 60.706 61.300 0.080 0.000 1.351 144 I CB 1.074 39.094 38.000 0.034 0.000 1.412 144 I HN 0.387 nan 8.210 nan 0.000 0.513 145 R N 5.107 125.632 120.500 0.041 0.000 2.387 145 R HA 0.626 4.966 4.340 -0.001 0.000 0.314 145 R C -1.662 174.620 176.300 -0.031 0.000 0.958 145 R CA -0.485 55.599 56.100 -0.025 0.000 0.846 145 R CB 1.384 31.691 30.300 0.011 0.000 1.147 145 R HN 0.399 nan 8.270 nan 0.000 0.447 146 V N 5.624 125.452 119.914 -0.142 0.000 2.487 146 V HA 0.545 4.665 4.120 -0.001 0.000 0.298 146 V C -0.905 175.026 176.094 -0.273 0.000 1.028 146 V CA -0.606 61.630 62.300 -0.107 0.000 0.860 146 V CB 1.411 33.196 31.823 -0.062 0.000 0.991 146 V HN 0.605 nan 8.190 nan 0.000 0.427 147 F N 2.946 122.890 119.950 -0.010 0.000 2.507 147 F HA 0.645 5.172 4.527 -0.001 0.000 0.325 147 F C 0.096 175.896 175.800 -0.001 0.000 1.116 147 F CA -0.312 57.694 58.000 0.010 0.000 0.930 147 F CB 2.006 41.018 39.000 0.019 0.000 1.146 147 F HN 0.416 nan 8.300 nan 0.000 0.447 148 Q N 2.724 122.639 119.800 0.191 0.000 2.323 148 Q HA 0.274 4.613 4.340 -0.001 0.000 0.271 148 Q C -1.730 174.374 176.000 0.172 0.000 1.048 148 Q CA -0.945 54.934 55.803 0.127 0.000 0.792 148 Q CB 1.879 30.653 28.738 0.059 0.000 1.280 148 Q HN 0.495 nan 8.270 nan 0.000 0.441 149 D N 4.429 124.947 120.400 0.196 0.000 2.343 149 D HA 0.174 4.814 4.640 -0.001 0.000 0.255 149 D C 0.530 176.921 176.300 0.153 0.000 1.187 149 D CA 0.072 54.183 54.000 0.185 0.000 0.875 149 D CB 0.475 41.415 40.800 0.232 0.000 1.136 149 D HN 0.547 nan 8.370 nan 0.000 0.469 150 I N -0.844 119.812 120.570 0.143 0.000 3.112 150 I HA 0.141 4.310 4.170 -0.001 0.000 0.284 150 I C 0.867 177.086 176.117 0.169 0.000 1.227 150 I CA -0.786 60.618 61.300 0.175 0.000 1.369 150 I CB 0.618 38.763 38.000 0.242 0.000 1.376 150 I HN 0.164 nan 8.210 nan 0.000 0.608 151 R N 2.928 123.543 120.500 0.192 0.000 2.485 151 R HA 0.107 4.447 4.340 -0.001 0.000 0.304 151 R C 1.005 177.437 176.300 0.220 0.000 0.934 151 R CA 1.280 57.487 56.100 0.177 0.000 1.102 151 R CB -0.343 30.061 30.300 0.174 0.000 0.906 151 R HN 1.157 nan 8.270 nan 0.000 0.407 152 G N 3.005 111.893 108.800 0.147 0.000 2.176 152 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.253 152 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.253 152 G C -0.400 174.488 174.900 -0.019 0.000 0.979 152 G CA 0.179 45.356 45.100 0.128 0.000 0.641 152 G HN 0.524 nan 8.290 nan 0.000 0.530 153 K N -0.698 119.664 120.400 -0.063 0.000 2.318 153 K HA 0.657 4.976 4.320 -0.001 0.000 0.249 153 K C 0.980 177.571 176.600 -0.016 0.000 0.942 153 K CA -0.804 55.374 56.287 -0.182 0.000 0.808 153 K CB 1.466 33.834 32.500 -0.220 0.000 1.189 153 K HN 0.155 nan 8.250 nan 0.000 0.428 154 Y N 0.321 120.543 120.300 -0.130 0.000 2.746 154 Y HA -0.451 4.098 4.550 -0.001 0.000 0.475 154 Y C 1.807 177.625 175.900 -0.136 0.000 1.088 154 Y CA 2.210 60.234 58.100 -0.126 0.000 2.897 154 Y CB -1.458 36.928 38.460 -0.124 0.000 1.110 154 Y HN 0.812 nan 8.280 nan 0.000 0.609 155 G N -0.192 108.614 108.800 0.009 0.000 2.985 155 G HA2 0.249 4.208 3.960 -0.001 0.000 0.209 155 G HA3 0.249 4.208 3.960 -0.001 0.000 0.209 155 G C 0.091 175.023 174.900 0.054 0.000 1.165 155 G CA 0.701 45.729 45.100 -0.121 0.000 0.776 155 G HN 0.278 nan 8.290 nan 0.000 0.541 156 S N 0.135 115.889 115.700 0.091 0.000 2.616 156 S HA 0.407 4.877 4.470 -0.001 0.000 0.277 156 S C 0.220 174.854 174.600 0.056 0.000 1.234 156 S CA -0.546 57.712 58.200 0.097 0.000 1.028 156 S CB 1.660 64.927 63.200 0.112 0.000 0.988 156 S HN 0.415 nan 8.310 nan 0.000 0.522 157 Q N 0.276 120.110 119.800 0.056 0.000 2.189 157 Q HA 0.645 4.984 4.340 -0.001 0.000 0.193 157 Q C 0.602 176.636 176.000 0.056 0.000 1.034 157 Q CA -0.289 55.540 55.803 0.043 0.000 1.062 157 Q CB 0.566 29.327 28.738 0.038 0.000 1.118 157 Q HN 0.976 nan 8.270 nan 0.000 0.569 158 G N 0.496 109.327 108.800 0.052 0.000 2.655 158 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.680 158 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.680 158 G C -1.576 173.371 174.900 0.078 0.000 1.302 158 G CA -0.825 44.315 45.100 0.066 0.000 0.872 158 G HN 0.547 nan 8.290 nan 0.000 0.540 159 D N -0.227 120.225 120.400 0.087 0.000 2.198 159 D HA 0.471 5.111 4.640 -0.001 0.000 0.245 159 D C -0.247 176.144 176.300 0.152 0.000 1.079 159 D CA 0.043 54.101 54.000 0.097 0.000 0.854 159 D CB 1.403 42.242 40.800 0.065 0.000 1.148 159 D HN 0.490 nan 8.370 nan 0.000 0.456 160 Y N 1.794 122.113 120.300 0.032 0.000 2.313 160 Y HA 0.385 4.935 4.550 -0.001 0.000 0.332 160 Y C -0.816 175.122 175.900 0.064 0.000 1.071 160 Y CA -0.352 57.775 58.100 0.044 0.000 1.169 160 Y CB 0.793 39.258 38.460 0.009 0.000 1.192 160 Y HN 0.056 nan 8.280 nan 0.000 0.487 161 V N 8.150 127.716 119.914 -0.579 0.000 2.525 161 V HA 0.165 4.284 4.120 -0.001 0.000 0.299 161 V C -0.245 175.417 176.094 -0.720 0.000 1.034 161 V CA -1.039 60.991 62.300 -0.450 0.000 0.863 161 V CB 1.366 33.118 31.823 -0.118 0.000 0.999 161 V HN 0.889 nan 8.190 nan 0.000 0.423 162 M N 5.665 124.865 119.600 -0.666 0.000 2.327 162 M HA 0.164 4.644 4.480 -0.001 0.000 0.353 162 M C 0.969 177.153 176.300 -0.193 0.000 1.539 162 M CA 1.075 56.085 55.300 -0.484 0.000 1.039 162 M CB -0.483 31.581 32.600 -0.893 0.000 1.967 162 M HN 1.203 nan 8.290 nan 0.000 0.459 163 T N 2.458 116.964 114.554 -0.080 0.000 3.549 163 T HA -0.257 4.092 4.350 -0.001 0.000 0.398 163 T C 0.134 174.874 174.700 0.067 0.000 0.766 163 T CA 0.958 62.847 62.100 -0.352 0.000 2.007 163 T CB -1.666 66.955 68.868 -0.411 0.000 1.727 163 T HN 0.984 nan 8.240 nan 0.000 0.693 164 R N 1.688 122.304 120.500 0.193 0.000 2.501 164 R HA 0.131 4.471 4.340 -0.001 0.000 0.319 164 R C -1.964 174.488 176.300 0.253 0.000 0.913 164 R CA -0.923 55.292 56.100 0.192 0.000 1.104 164 R CB 0.215 30.631 30.300 0.194 0.000 0.901 164 R HN 0.357 nan 8.270 nan 0.000 0.407 165 P HA 0.084 nan 4.420 nan 0.000 0.270 165 P C -2.464 174.901 177.300 0.108 0.000 1.223 165 P CA -1.135 62.032 63.100 0.110 0.000 0.785 165 P CB 0.233 31.933 31.700 -0.000 0.000 0.923 166 P HA 0.044 nan 4.420 nan 0.000 0.274 166 P C -0.353 177.000 177.300 0.088 0.000 1.246 166 P CA -0.040 63.116 63.100 0.094 0.000 0.795 166 P CB 0.142 31.890 31.700 0.081 0.000 1.006 167 H N -0.296 118.790 119.070 0.027 0.000 3.094 167 H HA 0.371 4.926 4.556 -0.001 0.000 0.320 167 H C 0.799 176.133 175.328 0.009 0.000 1.000 167 H CA 2.309 58.367 56.048 0.016 0.000 1.413 167 H CB -0.491 29.276 29.762 0.009 0.000 1.405 167 H HN 0.783 nan 8.280 nan 0.000 0.586 168 G N 3.777 112.275 108.800 -0.505 0.000 2.398 168 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.251 168 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.251 168 G C -2.085 172.664 174.900 -0.252 0.000 1.277 168 G CA -0.339 44.564 45.100 -0.329 0.000 0.927 168 G HN 0.463 nan 8.290 nan 0.000 0.477 169 P HA 0.060 nan 4.420 nan 0.000 0.220 169 P C 1.620 178.866 177.300 -0.090 0.000 1.148 169 P CA 0.959 63.993 63.100 -0.109 0.000 0.803 169 P CB 0.126 31.775 31.700 -0.085 0.000 0.782 170 L N -1.833 119.334 121.223 -0.093 0.000 2.592 170 L HA 0.203 4.542 4.340 -0.001 0.000 0.227 170 L C 0.686 177.533 176.870 -0.038 0.000 1.127 170 L CA 0.205 55.007 54.840 -0.064 0.000 0.884 170 L CB -0.416 41.578 42.059 -0.109 0.000 1.065 170 L HN -0.011 nan 8.230 nan 0.000 0.457 171 N N 0.180 118.843 118.700 -0.063 0.000 2.827 171 N HA 0.142 4.881 4.740 -0.001 0.000 0.240 171 N C -2.420 173.047 175.510 -0.072 0.000 1.352 171 N CA -1.065 51.970 53.050 -0.025 0.000 0.760 171 N CB 1.329 39.832 38.487 0.027 0.000 1.426 171 N HN -0.251 nan 8.380 nan 0.000 0.561 172 P HA 0.079 nan 4.420 nan 0.000 0.253 172 P C 0.358 177.724 177.300 0.109 0.000 1.260 172 P CA 0.211 63.288 63.100 -0.037 0.000 0.800 172 P CB -0.146 31.538 31.700 -0.026 0.000 1.162 173 T N -2.490 112.142 114.554 0.130 0.000 2.732 173 T HA 0.209 4.558 4.350 -0.001 0.000 0.287 173 T C 1.244 176.043 174.700 0.166 0.000 0.993 173 T CA -0.437 61.739 62.100 0.126 0.000 0.966 173 T CB 0.958 69.880 68.868 0.089 0.000 1.047 173 T HN -0.183 nan 8.240 nan 0.000 0.527 174 K N 0.486 120.929 120.400 0.070 0.000 2.418 174 K HA 0.095 4.415 4.320 -0.001 0.000 0.195 174 K C 1.182 177.774 176.600 -0.013 0.000 1.035 174 K CA 0.500 56.782 56.287 -0.007 0.000 1.003 174 K CB -0.250 32.239 32.500 -0.019 0.000 0.793 174 K HN 0.911 nan 8.250 nan 0.000 0.494 175 T N -0.463 114.118 114.554 0.046 0.000 2.916 175 T HA 0.533 4.883 4.350 -0.001 0.000 0.292 175 T C -0.790 173.965 174.700 0.092 0.000 1.064 175 T CA -0.890 61.242 62.100 0.054 0.000 1.011 175 T CB 2.573 71.478 68.868 0.061 0.000 1.152 175 T HN 0.067 nan 8.240 nan 0.000 0.510 176 D N -0.815 119.643 120.400 0.096 0.000 2.851 176 D HA 0.262 4.902 4.640 -0.001 0.000 0.339 176 D C 0.605 176.979 176.300 0.122 0.000 1.347 176 D CA -0.697 53.373 54.000 0.118 0.000 0.888 176 D CB 0.081 40.954 40.800 0.123 0.000 1.431 176 D HN 0.349 nan 8.370 nan 0.000 0.509 177 E N -0.456 119.822 120.200 0.129 0.000 2.204 177 E HA -0.078 4.272 4.350 -0.001 0.000 0.195 177 E C 1.546 178.201 176.600 0.092 0.000 0.990 177 E CA 1.552 58.025 56.400 0.121 0.000 0.821 177 E CB -0.459 29.300 29.700 0.099 0.000 0.750 177 E HN 0.594 nan 8.360 nan 0.000 0.477 178 T N 0.608 115.210 114.554 0.081 0.000 2.770 178 T HA -0.124 4.226 4.350 -0.001 0.000 0.263 178 T C 2.156 176.952 174.700 0.161 0.000 1.039 178 T CA 2.026 64.188 62.100 0.103 0.000 1.142 178 T CB -0.421 68.498 68.868 0.085 0.000 0.868 178 T HN 0.420 nan 8.240 nan 0.000 0.435 179 T N 0.642 115.272 114.554 0.126 0.000 2.857 179 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 179 T C 1.583 176.406 174.700 0.206 0.000 1.048 179 T CA 1.147 63.332 62.100 0.142 0.000 1.139 179 T CB -0.467 68.426 68.868 0.041 0.000 0.874 179 T HN 0.106 nan 8.240 nan 0.000 0.455 180 D N 2.082 122.579 120.400 0.161 0.000 2.097 180 D HA 0.030 4.670 4.640 -0.001 0.000 0.195 180 D C 2.480 178.879 176.300 0.165 0.000 0.989 180 D CA 1.579 55.671 54.000 0.153 0.000 0.827 180 D CB -0.711 40.171 40.800 0.137 0.000 0.966 180 D HN 0.580 nan 8.370 nan 0.000 0.456 181 A N -0.260 122.658 122.820 0.164 0.000 1.933 181 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 181 A C 2.175 179.861 177.584 0.170 0.000 1.175 181 A CA 1.201 53.321 52.037 0.137 0.000 0.628 181 A CB -1.131 17.936 19.000 0.113 0.000 0.814 181 A HN 0.385 nan 8.150 nan 0.000 0.444 182 W N 1.062 122.410 121.300 0.081 0.000 2.379 182 W HA -0.151 4.508 4.660 -0.001 0.000 0.307 182 W C 1.442 178.034 176.519 0.122 0.000 1.200 182 W CA 1.792 59.215 57.345 0.130 0.000 1.297 182 W CB 0.062 29.599 29.460 0.128 0.000 1.140 182 W HN 0.367 nan 8.180 nan 0.000 0.507 183 D N -0.947 119.750 120.400 0.495 0.000 2.144 183 D HA -0.157 4.483 4.640 -0.001 0.000 0.199 183 D C 2.111 178.524 176.300 0.189 0.000 0.984 183 D CA 1.987 56.209 54.000 0.370 0.000 0.834 183 D CB -0.804 40.163 40.800 0.279 0.000 0.955 183 D HN 0.137 nan 8.370 nan 0.000 0.465 184 T N 0.378 115.004 114.554 0.120 0.000 2.737 184 T HA -0.065 4.285 4.350 -0.001 0.000 0.265 184 T C 2.257 176.970 174.700 0.023 0.000 1.038 184 T CA 0.594 62.736 62.100 0.072 0.000 1.144 184 T CB -0.232 68.661 68.868 0.042 0.000 0.866 184 T HN -0.030 nan 8.240 nan 0.000 0.434 185 V N 1.771 121.609 119.914 -0.128 0.000 2.343 185 V HA -0.167 3.952 4.120 -0.001 0.000 0.247 185 V C 2.389 178.177 176.094 -0.511 0.000 1.051 185 V CA 1.853 63.958 62.300 -0.325 0.000 1.036 185 V CB -0.602 30.954 31.823 -0.445 0.000 0.654 185 V HN 0.452 nan 8.190 nan 0.000 0.451 186 D N -1.199 118.832 120.400 -0.614 0.000 2.104 186 D HA -0.266 4.374 4.640 -0.001 0.000 0.194 186 D C 1.862 178.160 176.300 -0.004 0.000 0.994 186 D CA 1.744 55.499 54.000 -0.409 0.000 0.830 186 D CB -0.230 40.492 40.800 -0.129 0.000 0.959 186 D HN 0.550 nan 8.370 nan 0.000 0.452 187 W N 0.638 121.889 121.300 -0.083 0.000 2.355 187 W HA -0.097 4.563 4.660 -0.001 0.000 0.309 187 W C 2.070 178.576 176.519 -0.022 0.000 1.206 187 W CA 1.233 58.569 57.345 -0.016 0.000 1.284 187 W CB -0.314 29.139 29.460 -0.010 0.000 1.145 187 W HN 0.007 nan 8.180 nan 0.000 0.502 188 L N 0.278 121.642 121.223 0.236 0.000 2.042 188 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 188 L C 2.459 179.242 176.870 -0.146 0.000 1.076 188 L CA 1.641 56.530 54.840 0.081 0.000 0.749 188 L CB -1.422 40.685 42.059 0.079 0.000 0.893 188 L HN 0.083 nan 8.230 nan 0.000 0.432 189 V N -4.102 115.702 119.914 -0.184 0.000 2.970 189 V HA -0.197 3.922 4.120 -0.001 0.000 0.260 189 V C 1.730 177.591 176.094 -0.389 0.000 1.100 189 V CA 1.476 63.614 62.300 -0.270 0.000 1.122 189 V CB -0.908 30.739 31.823 -0.294 0.000 0.721 189 V HN 0.441 nan 8.190 nan 0.000 0.483 190 H N 0.558 119.452 119.070 -0.293 0.000 2.592 190 H HA 0.338 4.894 4.556 -0.001 0.000 0.265 190 H C 0.970 176.043 175.328 -0.424 0.000 0.955 190 H CA 0.938 56.804 56.048 -0.303 0.000 1.175 190 H CB 0.191 29.794 29.762 -0.265 0.000 1.433 190 H HN 0.532 nan 8.280 nan 0.000 0.537 191 N N -0.264 118.109 118.700 -0.546 0.000 2.365 191 N HA 0.184 4.924 4.740 -0.001 0.000 0.257 191 N C -1.276 173.967 175.510 -0.445 0.000 1.287 191 N CA 0.065 52.690 53.050 -0.708 0.000 0.882 191 N CB 2.122 39.588 38.487 -1.703 0.000 1.250 191 N HN -0.103 nan 8.380 nan 0.000 0.507 192 V N 1.495 121.251 119.914 -0.264 0.000 2.465 192 V HA 0.265 4.385 4.120 -0.001 0.000 0.263 192 V C -1.856 174.172 176.094 -0.110 0.000 0.981 192 V CA -1.156 61.069 62.300 -0.127 0.000 0.838 192 V CB 1.590 33.374 31.823 -0.066 0.000 1.068 192 V HN -0.013 nan 8.190 nan 0.000 0.458 193 P HA -0.115 nan 4.420 nan 0.000 0.219 193 P C 1.166 178.427 177.300 -0.064 0.000 1.146 193 P CA 1.083 64.135 63.100 -0.080 0.000 0.808 193 P CB 0.450 32.114 31.700 -0.060 0.000 0.779 194 E N -0.447 119.724 120.200 -0.048 0.000 2.418 194 E HA -0.033 4.317 4.350 -0.001 0.000 0.197 194 E C 1.016 177.584 176.600 -0.054 0.000 1.026 194 E CA 0.315 56.692 56.400 -0.039 0.000 0.862 194 E CB -0.389 29.300 29.700 -0.017 0.000 0.799 194 E HN 0.339 nan 8.360 nan 0.000 0.518 195 S N 0.851 116.510 115.700 -0.069 0.000 2.681 195 S HA 0.147 4.617 4.470 -0.001 0.000 0.270 195 S C 0.777 175.317 174.600 -0.101 0.000 1.209 195 S CA -0.579 57.569 58.200 -0.086 0.000 0.988 195 S CB 0.827 63.973 63.200 -0.090 0.000 1.006 195 S HN 0.171 nan 8.310 nan 0.000 0.558 196 N N -0.567 118.066 118.700 -0.112 0.000 2.235 196 N HA 0.214 4.954 4.740 -0.001 0.000 0.209 196 N C 1.100 176.537 175.510 -0.121 0.000 1.122 196 N CA 0.299 53.281 53.050 -0.113 0.000 0.845 196 N CB -0.379 38.041 38.487 -0.113 0.000 1.004 196 N HN 1.346 nan 8.380 nan 0.000 0.499 197 G N 0.500 109.220 108.800 -0.134 0.000 2.153 197 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.252 197 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.252 197 G C -0.475 174.347 174.900 -0.130 0.000 0.994 197 G CA 0.006 45.014 45.100 -0.153 0.000 0.698 197 G HN 0.426 nan 8.290 nan 0.000 0.521 198 R N -0.345 120.086 120.500 -0.116 0.000 2.445 198 R HA 0.663 5.002 4.340 -0.001 0.000 0.308 198 R C -0.599 175.641 176.300 -0.099 0.000 0.961 198 R CA -0.660 55.378 56.100 -0.103 0.000 0.862 198 R CB 2.279 32.519 30.300 -0.099 0.000 1.144 198 R HN 0.162 nan 8.270 nan 0.000 0.447 199 V N 1.055 120.909 119.914 -0.099 0.000 2.656 199 V HA 0.662 4.781 4.120 -0.001 0.000 0.307 199 V C 0.307 176.335 176.094 -0.109 0.000 1.051 199 V CA -0.887 61.360 62.300 -0.089 0.000 0.893 199 V CB 2.253 34.015 31.823 -0.101 0.000 0.999 199 V HN 0.929 nan 8.190 nan 0.000 0.426 200 G N 3.628 112.382 108.800 -0.078 0.000 2.513 200 G HA2 0.728 4.687 3.960 -0.001 0.000 0.317 200 G HA3 0.728 4.687 3.960 -0.001 0.000 0.317 200 G C -0.992 173.930 174.900 0.036 0.000 1.277 200 G CA -0.676 44.341 45.100 -0.138 0.000 0.955 200 G HN 0.520 nan 8.290 nan 0.000 0.484 201 M N 1.207 120.845 119.600 0.062 0.000 2.436 201 M HA 0.606 5.085 4.480 -0.001 0.000 0.331 201 M C -0.092 176.324 176.300 0.194 0.000 1.135 201 M CA -0.530 54.820 55.300 0.083 0.000 0.987 201 M CB 2.670 35.284 32.600 0.023 0.000 1.687 201 M HN 0.572 nan 8.290 nan 0.000 0.445 202 T N 0.825 115.438 114.554 0.098 0.000 2.792 202 T HA 0.878 5.227 4.350 -0.001 0.000 0.303 202 T C -1.362 173.369 174.700 0.052 0.000 1.310 202 T CA -0.065 62.091 62.100 0.093 0.000 1.007 202 T CB 2.098 71.039 68.868 0.122 0.000 1.335 202 T HN 1.014 nan 8.240 nan 0.000 0.504 203 G N 0.889 109.731 108.800 0.070 0.000 2.352 203 G HA2 0.425 4.385 3.960 -0.001 0.000 0.303 203 G HA3 0.425 4.385 3.960 -0.001 0.000 0.303 203 G C -1.290 173.686 174.900 0.127 0.000 1.593 203 G CA -0.027 45.142 45.100 0.115 0.000 0.963 203 G HN 0.759 nan 8.290 nan 0.000 0.685 204 S N -0.124 115.668 115.700 0.153 0.000 2.593 204 S HA 0.851 5.321 4.470 -0.001 0.000 0.297 204 S C 1.045 175.798 174.600 0.254 0.000 1.112 204 S CA 1.265 59.541 58.200 0.128 0.000 1.043 204 S CB 1.413 64.620 63.200 0.011 0.000 1.054 204 S HN 2.432 nan 8.310 nan 0.000 0.516 205 S N 1.955 117.827 115.700 0.288 0.000 4.140 205 S HA -0.330 4.139 4.470 -0.001 0.000 0.618 205 S C 0.900 175.774 174.600 0.458 0.000 1.896 205 S CA 1.577 60.052 58.200 0.458 0.000 4.240 205 S CB -1.920 61.642 63.200 0.604 0.000 0.208 205 S HN 0.973 nan 8.310 nan 0.000 0.487 206 Y N 2.304 122.859 120.300 0.425 0.000 2.293 206 Y HA -0.013 4.536 4.550 -0.001 0.000 0.291 206 Y C 2.475 178.621 175.900 0.410 0.000 1.137 206 Y CA 2.162 60.495 58.100 0.387 0.000 1.202 206 Y CB -0.182 38.476 38.460 0.329 0.000 0.990 206 Y HN 0.602 nan 8.280 nan 0.000 0.537 207 E N -0.910 119.641 120.200 0.586 0.000 2.204 207 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 207 E C 2.279 179.069 176.600 0.317 0.000 0.990 207 E CA 0.768 57.422 56.400 0.423 0.000 0.821 207 E CB -0.273 29.648 29.700 0.368 0.000 0.750 207 E HN 0.622 nan 8.360 nan 0.000 0.477 208 G N 0.814 109.803 108.800 0.315 0.000 2.408 208 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.215 208 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.215 208 G C 1.322 176.377 174.900 0.259 0.000 1.156 208 G CA 0.102 45.346 45.100 0.240 0.000 0.793 208 G HN 0.263 nan 8.290 nan 0.000 0.535 209 F N 3.099 123.141 119.950 0.154 0.000 2.126 209 F HA -0.181 4.345 4.527 -0.001 0.000 0.299 209 F C 2.899 178.772 175.800 0.122 0.000 1.096 209 F CA 2.413 60.472 58.000 0.098 0.000 1.255 209 F CB -0.574 38.383 39.000 -0.073 0.000 0.997 209 F HN 0.195 nan 8.300 nan 0.000 0.479 210 T N -2.103 112.525 114.554 0.123 0.000 2.915 210 T HA -0.113 4.237 4.350 -0.001 0.000 0.269 210 T C 1.955 176.651 174.700 -0.007 0.000 1.071 210 T CA 1.313 63.433 62.100 0.033 0.000 1.132 210 T CB -1.179 67.835 68.868 0.243 0.000 0.878 210 T HN 0.189 nan 8.240 nan 0.000 0.479 211 V N 1.223 121.156 119.914 0.032 0.000 2.283 211 V HA -0.100 4.019 4.120 -0.001 0.000 0.243 211 V C 2.917 178.997 176.094 -0.024 0.000 1.039 211 V CA 1.230 63.533 62.300 0.006 0.000 1.016 211 V CB -0.683 31.140 31.823 0.001 0.000 0.650 211 V HN 0.369 nan 8.190 nan 0.000 0.449 212 V N -0.313 119.595 119.914 -0.011 0.000 2.332 212 V HA -0.324 3.796 4.120 -0.001 0.000 0.248 212 V C 2.554 178.637 176.094 -0.019 0.000 1.055 212 V CA 2.001 64.331 62.300 0.050 0.000 1.038 212 V CB -0.644 31.283 31.823 0.173 0.000 0.651 212 V HN 0.415 nan 8.190 nan 0.000 0.450 213 M N -0.290 119.205 119.600 -0.176 0.000 2.159 213 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 213 M C 2.423 178.705 176.300 -0.031 0.000 1.063 213 M CA 2.174 57.371 55.300 -0.172 0.000 1.110 213 M CB -1.388 30.991 32.600 -0.368 0.000 1.374 213 M HN 0.428 nan 8.290 nan 0.000 0.411 214 A N 0.192 123.008 122.820 -0.006 0.000 1.933 214 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 214 A C 2.226 179.852 177.584 0.069 0.000 1.175 214 A CA 1.163 53.232 52.037 0.054 0.000 0.628 214 A CB -0.912 18.114 19.000 0.043 0.000 0.814 214 A HN 0.484 nan 8.150 nan 0.000 0.444 215 L N -0.384 120.870 121.223 0.051 0.000 2.362 215 L HA -0.119 4.221 4.340 -0.001 0.000 0.219 215 L C 2.178 179.104 176.870 0.093 0.000 1.134 215 L CA 0.398 55.280 54.840 0.071 0.000 0.807 215 L CB -0.406 41.702 42.059 0.081 0.000 0.927 215 L HN 0.403 nan 8.230 nan 0.000 0.447 216 L N -0.772 120.504 121.223 0.087 0.000 2.141 216 L HA -0.095 4.244 4.340 -0.001 0.000 0.209 216 L C 0.414 177.339 176.870 0.091 0.000 1.094 216 L CA 0.893 55.785 54.840 0.088 0.000 0.763 216 L CB -0.127 41.976 42.059 0.073 0.000 0.908 216 L HN 0.225 nan 8.230 nan 0.000 0.437 217 D N -0.603 119.865 120.400 0.113 0.000 2.752 217 D HA 0.165 4.805 4.640 -0.001 0.000 0.242 217 D C -2.608 173.839 176.300 0.245 0.000 1.295 217 D CA -1.364 52.722 54.000 0.142 0.000 0.846 217 D CB 1.050 41.909 40.800 0.099 0.000 1.454 217 D HN -0.144 nan 8.370 nan 0.000 0.535 218 P HA 0.124 nan 4.420 nan 0.000 0.275 218 P C 0.023 177.436 177.300 0.188 0.000 1.228 218 P CA -0.268 62.938 63.100 0.177 0.000 0.786 218 P CB 0.688 32.435 31.700 0.079 0.000 0.927 219 H N 4.767 123.776 119.070 -0.102 0.000 2.815 219 H HA 0.035 4.591 4.556 -0.001 0.000 0.350 219 H C -1.153 174.065 175.328 -0.183 0.000 1.080 219 H CA -0.976 54.809 56.048 -0.439 0.000 1.433 219 H CB 0.768 30.062 29.762 -0.779 0.000 1.432 219 H HN 0.255 nan 8.280 nan 0.000 0.592 220 P HA -0.133 nan 4.420 nan 0.000 0.219 220 P C 0.868 178.153 177.300 -0.026 0.000 1.146 220 P CA 1.498 64.507 63.100 -0.151 0.000 0.808 220 P CB -0.009 31.575 31.700 -0.193 0.000 0.779 221 A N -0.732 122.188 122.820 0.168 0.000 2.167 221 A HA -0.000 4.319 4.320 -0.001 0.000 0.214 221 A C 1.211 178.783 177.584 -0.020 0.000 1.151 221 A CA 0.090 52.173 52.037 0.078 0.000 0.735 221 A CB -1.040 17.992 19.000 0.053 0.000 0.802 221 A HN 0.191 nan 8.150 nan 0.000 0.467 222 L N 0.688 121.900 121.223 -0.019 0.000 2.385 222 L HA 0.232 4.572 4.340 -0.001 0.000 0.285 222 L C 0.703 177.507 176.870 -0.109 0.000 1.125 222 L CA 0.080 54.877 54.840 -0.071 0.000 0.890 222 L CB 0.161 42.191 42.059 -0.047 0.000 1.251 222 L HN -0.002 nan 8.230 nan 0.000 0.445 223 K N 3.370 123.680 120.400 -0.149 0.000 2.361 223 K HA 0.281 4.601 4.320 -0.001 0.000 0.196 223 K C -0.112 176.283 176.600 -0.342 0.000 1.039 223 K CA 0.345 56.517 56.287 -0.192 0.000 1.001 223 K CB 0.339 32.763 32.500 -0.127 0.000 0.795 223 K HN 0.397 nan 8.250 nan 0.000 0.495 224 V N -0.783 118.903 119.914 -0.380 0.000 3.108 224 V HA 0.624 4.744 4.120 -0.001 0.000 0.287 224 V C -2.100 173.760 176.094 -0.389 0.000 1.436 224 V CA -0.746 61.246 62.300 -0.513 0.000 1.001 224 V CB 2.125 33.459 31.823 -0.815 0.000 1.141 224 V HN 0.134 nan 8.190 nan 0.000 0.443 225 A N 3.956 126.686 122.820 -0.150 0.000 2.475 225 A HA 1.035 5.355 4.320 -0.001 0.000 0.301 225 A C -0.458 177.243 177.584 0.196 0.000 1.059 225 A CA -0.149 51.911 52.037 0.038 0.000 0.710 225 A CB 2.115 21.065 19.000 -0.083 0.000 1.288 225 A HN 2.320 nan 8.150 nan 0.000 0.408 226 A N 2.468 125.403 122.820 0.191 0.000 3.127 226 A HA 0.701 5.021 4.320 -0.001 0.000 0.319 226 A C -3.110 174.388 177.584 -0.142 0.000 1.104 226 A CA -1.295 50.727 52.037 -0.025 0.000 0.802 226 A CB 0.360 19.284 19.000 -0.127 0.000 1.193 226 A HN 0.413 nan 8.150 nan 0.000 0.479 227 P HA 0.338 nan 4.420 nan 0.000 0.276 227 P C -0.509 176.770 177.300 -0.035 0.000 1.243 227 P CA 0.368 63.380 63.100 -0.148 0.000 0.768 227 P CB 0.799 32.322 31.700 -0.295 0.000 0.856 228 E N 1.455 121.671 120.200 0.026 0.000 2.158 228 E HA 0.272 4.621 4.350 -0.001 0.000 0.271 228 E C -0.126 176.541 176.600 0.113 0.000 0.911 228 E CA -0.730 55.687 56.400 0.029 0.000 0.767 228 E CB 0.705 30.384 29.700 -0.034 0.000 1.120 228 E HN 0.246 nan 8.360 nan 0.000 0.405 229 S N 2.628 118.417 115.700 0.149 0.000 3.317 229 S HA -0.140 4.329 4.470 -0.001 0.000 0.358 229 S C -2.146 172.634 174.600 0.301 0.000 0.945 229 S CA 0.185 58.524 58.200 0.233 0.000 1.279 229 S CB -1.495 61.827 63.200 0.204 0.000 0.905 229 S HN 0.464 nan 8.310 nan 0.000 0.507 230 P HA 0.268 nan 4.420 nan 0.000 0.276 230 P C -0.128 177.349 177.300 0.295 0.000 1.244 230 P CA -0.645 62.650 63.100 0.325 0.000 0.801 230 P CB 0.559 32.482 31.700 0.371 0.000 1.006 231 M N 1.881 121.642 119.600 0.268 0.000 2.108 231 M HA 0.123 4.602 4.480 -0.001 0.000 0.347 231 M C 0.759 177.232 176.300 0.288 0.000 1.326 231 M CA -0.170 55.224 55.300 0.157 0.000 1.126 231 M CB 0.718 33.301 32.600 -0.029 0.000 1.606 231 M HN 0.108 nan 8.290 nan 0.000 0.462 232 V N 0.263 120.334 119.914 0.261 0.000 2.948 232 V HA 0.153 4.272 4.120 -0.001 0.000 0.234 232 V C 0.039 176.294 176.094 0.268 0.000 1.205 232 V CA 0.675 63.160 62.300 0.309 0.000 1.234 232 V CB 0.590 32.609 31.823 0.328 0.000 1.020 232 V HN 0.748 nan 8.190 nan 0.000 0.491 233 D N 0.182 120.696 120.400 0.191 0.000 2.389 233 D HA 0.335 4.975 4.640 -0.001 0.000 0.256 233 D C 1.007 177.283 176.300 -0.041 0.000 1.239 233 D CA 0.366 54.421 54.000 0.093 0.000 0.925 233 D CB 1.509 42.278 40.800 -0.051 0.000 1.145 233 D HN 0.189 nan 8.370 nan 0.000 0.542 234 G N 1.698 110.560 108.800 0.104 0.000 2.498 234 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.219 234 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.219 234 G C 1.083 175.987 174.900 0.006 0.000 1.119 234 G CA 0.192 45.285 45.100 -0.012 0.000 0.766 234 G HN 0.538 nan 8.290 nan 0.000 0.552 235 W N -0.216 120.917 121.300 -0.279 0.000 2.640 235 W HA 0.278 4.937 4.660 -0.001 0.000 0.271 235 W C 2.352 178.480 176.519 -0.652 0.000 1.218 235 W CA 0.142 57.208 57.345 -0.466 0.000 1.382 235 W CB 0.292 29.352 29.460 -0.666 0.000 1.067 235 W HN -0.029 nan 8.180 nan 0.000 0.590 236 M N -0.562 118.680 119.600 -0.596 0.000 2.156 236 M HA 0.195 4.674 4.480 -0.001 0.000 0.264 236 M C 1.460 176.836 176.300 -1.540 0.000 1.067 236 M CA 1.817 56.337 55.300 -1.300 0.000 1.131 236 M CB -1.170 30.287 32.600 -1.906 0.000 1.368 236 M HN 0.226 nan 8.290 nan 0.000 0.416 237 G N -0.957 107.124 108.800 -1.199 0.000 5.310 237 G HA2 0.086 4.046 3.960 -0.001 0.000 0.203 237 G HA3 0.086 4.046 3.960 -0.001 0.000 0.203 237 G C -0.199 174.410 174.900 -0.486 0.000 0.800 237 G CA -0.391 44.118 45.100 -0.985 0.000 0.754 237 G HN 0.185 nan 8.290 nan 0.000 0.308 238 D N 0.113 120.346 120.400 -0.278 0.000 3.213 238 D HA 0.158 4.798 4.640 -0.001 0.000 0.229 238 D C 0.976 177.170 176.300 -0.176 0.000 1.179 238 D CA -0.146 53.776 54.000 -0.130 0.000 1.218 238 D CB 0.615 41.342 40.800 -0.122 0.000 0.950 238 D HN -0.080 nan 8.370 nan 0.000 0.232 239 D N -0.537 119.572 120.400 -0.485 0.000 2.162 239 D HA -0.018 4.621 4.640 -0.001 0.000 0.205 239 D C 2.216 178.188 176.300 -0.546 0.000 0.964 239 D CA 0.668 54.244 54.000 -0.707 0.000 0.847 239 D CB 0.154 40.156 40.800 -1.329 0.000 0.988 239 D HN 0.379 nan 8.370 nan 0.000 0.480 240 W N -0.003 121.237 121.300 -0.100 0.000 2.480 240 W HA 0.099 4.759 4.660 -0.001 0.000 0.299 240 W C 0.541 176.711 176.519 -0.582 0.000 1.187 240 W CA -0.400 56.797 57.345 -0.247 0.000 1.347 240 W CB 0.045 29.543 29.460 0.063 0.000 1.121 240 W HN -0.220 nan 8.180 nan 0.000 0.533 241 F N -1.556 118.365 119.950 -0.048 0.000 2.643 241 F HA 0.407 4.934 4.527 -0.001 0.000 0.314 241 F C -0.373 175.298 175.800 -0.215 0.000 1.096 241 F CA -1.401 56.469 58.000 -0.217 0.000 0.953 241 F CB 1.183 39.746 39.000 -0.729 0.000 1.345 241 F HN -0.295 nan 8.300 nan 0.000 0.468 242 H N 1.454 120.420 119.070 -0.173 0.000 2.762 242 H HA 0.222 4.778 4.556 -0.001 0.000 0.310 242 H C -1.114 173.940 175.328 -0.456 0.000 1.004 242 H CA -0.893 54.965 56.048 -0.315 0.000 1.267 242 H CB 0.799 30.537 29.762 -0.041 0.000 1.437 242 H HN 0.659 nan 8.280 nan 0.000 0.498 243 Y N 1.791 121.712 120.300 -0.632 0.000 3.108 243 Y HA -0.301 4.248 4.550 -0.001 0.000 0.208 243 Y C 1.577 176.914 175.900 -0.938 0.000 1.245 243 Y CA 1.370 59.000 58.100 -0.782 0.000 1.171 243 Y CB -1.827 36.311 38.460 -0.537 0.000 1.331 243 Y HN 1.152 nan 8.280 nan 0.000 0.534 244 G N -1.973 105.923 108.800 -1.507 0.000 2.205 244 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.261 244 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.261 244 G C 0.399 175.192 174.900 -0.179 0.000 0.980 244 G CA -0.026 44.355 45.100 -1.199 0.000 0.632 244 G HN 1.614 nan 8.290 nan 0.000 0.533 245 A N 0.315 123.089 122.820 -0.076 0.000 2.347 245 A HA 0.647 4.967 4.320 -0.001 0.000 0.287 245 A C -0.064 177.730 177.584 0.350 0.000 1.199 245 A CA -0.362 51.754 52.037 0.133 0.000 0.851 245 A CB 0.191 19.141 19.000 -0.083 0.000 1.118 245 A HN 1.234 nan 8.150 nan 0.000 0.525 246 F N 2.926 122.993 119.950 0.195 0.000 2.484 246 F HA 0.366 4.892 4.527 -0.001 0.000 0.360 246 F C 0.754 176.477 175.800 -0.128 0.000 1.101 246 F CA -0.064 57.881 58.000 -0.091 0.000 1.251 246 F CB 0.660 39.646 39.000 -0.024 0.000 1.132 246 F HN 0.565 nan 8.300 nan 0.000 0.570 247 R N 5.737 125.483 120.500 -1.256 0.000 2.198 247 R HA 0.151 4.491 4.340 -0.001 0.000 0.339 247 R C 0.736 175.977 176.300 -1.766 0.000 1.020 247 R CA -0.323 54.992 56.100 -1.308 0.000 0.864 247 R CB 0.855 30.566 30.300 -0.981 0.000 1.105 247 R HN 0.761 nan 8.270 nan 0.000 0.463 248 Q N 1.337 120.307 119.800 -1.383 0.000 2.515 248 Q HA -0.042 4.297 4.340 -0.001 0.000 0.212 248 Q C 1.623 176.716 176.000 -1.512 0.000 0.970 248 Q CA 0.810 55.844 55.803 -1.282 0.000 0.941 248 Q CB 0.395 28.526 28.738 -1.011 0.000 0.998 248 Q HN 0.870 nan 8.270 nan 0.000 0.518 249 G N 0.860 108.576 108.800 -1.806 0.000 2.534 249 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.217 249 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.217 249 G C 1.459 175.721 174.900 -1.063 0.000 1.128 249 G CA 0.586 44.550 45.100 -1.893 0.000 0.784 249 G HN 0.389 nan 8.290 nan 0.000 0.542 250 A N 0.666 122.872 122.820 -1.023 0.000 2.024 250 A HA 0.052 4.371 4.320 -0.001 0.000 0.220 250 A C 1.999 178.906 177.584 -1.129 0.000 1.164 250 A CA 1.192 52.702 52.037 -0.878 0.000 0.643 250 A CB -0.488 18.054 19.000 -0.763 0.000 0.806 250 A HN 0.274 nan 8.150 nan 0.000 0.451 251 F N 0.717 120.275 119.950 -0.654 0.000 2.102 251 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 251 F C 2.179 177.810 175.800 -0.282 0.000 1.105 251 F CA 1.192 58.937 58.000 -0.426 0.000 1.239 251 F CB -0.804 38.132 39.000 -0.108 0.000 0.991 251 F HN 0.240 nan 8.300 nan 0.000 0.474 252 D N -1.134 119.227 120.400 -0.065 0.000 2.117 252 D HA -0.243 4.396 4.640 -0.001 0.000 0.197 252 D C 2.149 178.443 176.300 -0.010 0.000 0.987 252 D CA 1.314 55.296 54.000 -0.029 0.000 0.829 252 D CB -0.747 40.016 40.800 -0.061 0.000 0.961 252 D HN 0.334 nan 8.370 nan 0.000 0.460 253 Y N 0.803 121.001 120.300 -0.169 0.000 2.165 253 Y HA -0.248 4.302 4.550 -0.001 0.000 0.286 253 Y C 2.229 178.230 175.900 0.169 0.000 1.155 253 Y CA 1.559 59.654 58.100 -0.008 0.000 1.164 253 Y CB -0.516 37.949 38.460 0.008 0.000 0.978 253 Y HN -0.088 nan 8.280 nan 0.000 0.513 254 F N -1.345 118.699 119.950 0.156 0.000 2.069 254 F HA -0.296 4.230 4.527 -0.001 0.000 0.298 254 F C 2.322 178.098 175.800 -0.041 0.000 1.113 254 F CA 1.027 59.069 58.000 0.070 0.000 1.214 254 F CB -0.786 38.263 39.000 0.082 0.000 0.978 254 F HN -0.145 nan 8.300 nan 0.000 0.474 255 V N -0.818 119.140 119.914 0.073 0.000 2.490 255 V HA -0.288 3.832 4.120 -0.001 0.000 0.250 255 V C 2.384 178.517 176.094 0.064 0.000 1.061 255 V CA 1.997 64.295 62.300 -0.003 0.000 1.064 255 V CB -0.676 31.107 31.823 -0.068 0.000 0.670 255 V HN 0.369 nan 8.190 nan 0.000 0.461 256 S N -0.900 114.807 115.700 0.011 0.000 2.383 256 S HA -0.174 4.295 4.470 -0.001 0.000 0.227 256 S C 1.901 176.468 174.600 -0.055 0.000 1.026 256 S CA 1.240 59.428 58.200 -0.019 0.000 0.981 256 S CB -0.082 63.097 63.200 -0.035 0.000 0.818 256 S HN 0.599 nan 8.310 nan 0.000 0.472 257 Q N -0.581 119.150 119.800 -0.116 0.000 2.352 257 Q HA 0.335 4.675 4.340 -0.001 0.000 0.212 257 Q C 0.851 176.816 176.000 -0.058 0.000 0.888 257 Q CA 0.328 56.032 55.803 -0.164 0.000 0.934 257 Q CB 0.409 28.942 28.738 -0.341 0.000 1.093 257 Q HN 0.575 nan 8.270 nan 0.000 0.523 258 M N -0.965 118.704 119.600 0.115 0.000 2.414 258 M HA 0.138 4.618 4.480 -0.001 0.000 0.357 258 M C 0.896 177.339 176.300 0.239 0.000 1.059 258 M CA 0.099 55.537 55.300 0.229 0.000 0.959 258 M CB 0.910 33.738 32.600 0.380 0.000 1.522 258 M HN -0.148 nan 8.290 nan 0.000 0.551 259 T N 1.041 115.710 114.554 0.191 0.000 2.896 259 T HA 0.243 4.593 4.350 -0.001 0.000 0.263 259 T C 0.730 175.422 174.700 -0.014 0.000 1.050 259 T CA 0.980 63.157 62.100 0.129 0.000 1.140 259 T CB 0.232 69.189 68.868 0.148 0.000 0.877 259 T HN 0.466 nan 8.240 nan 0.000 0.457 260 A N -0.182 122.602 122.820 -0.060 0.000 2.593 260 A HA 0.701 5.021 4.320 -0.001 0.000 0.290 260 A C 0.873 178.339 177.584 -0.196 0.000 1.126 260 A CA -0.675 51.294 52.037 -0.114 0.000 0.695 260 A CB 0.962 19.892 19.000 -0.116 0.000 1.290 260 A HN 0.081 nan 8.150 nan 0.000 0.414 261 R N -0.010 120.370 120.500 -0.201 0.000 2.080 261 R HA -0.094 4.246 4.340 -0.001 0.000 0.236 261 R C 1.287 177.270 176.300 -0.528 0.000 1.137 261 R CA 2.280 58.217 56.100 -0.272 0.000 0.943 261 R CB -0.491 29.701 30.300 -0.180 0.000 0.846 261 R HN 0.875 nan 8.270 nan 0.000 0.431 262 G N -0.995 107.493 108.800 -0.519 0.000 2.783 262 G HA2 0.342 4.302 3.960 -0.001 0.000 0.182 262 G HA3 0.342 4.302 3.960 -0.001 0.000 0.182 262 G C -0.377 174.097 174.900 -0.710 0.000 1.516 262 G CA -0.198 44.389 45.100 -0.854 0.000 1.079 262 G HN 0.446 nan 8.290 nan 0.000 0.573 263 G N -1.230 107.407 108.800 -0.272 0.000 2.491 263 G HA2 0.505 4.465 3.960 -0.001 0.000 0.242 263 G HA3 0.505 4.465 3.960 -0.001 0.000 0.242 263 G C 0.172 175.038 174.900 -0.058 0.000 1.266 263 G CA 0.580 45.661 45.100 -0.033 0.000 0.844 263 G HN 0.847 nan 8.290 nan 0.000 0.571 264 G N 0.170 108.958 108.800 -0.019 0.000 3.140 264 G HA2 0.601 4.560 3.960 -0.001 0.000 0.271 264 G HA3 0.601 4.560 3.960 -0.001 0.000 0.271 264 G C -0.685 174.223 174.900 0.013 0.000 1.370 264 G CA -0.811 44.286 45.100 -0.005 0.000 1.014 264 G HN 0.593 nan 8.290 nan 0.000 0.541 265 N N -0.744 117.967 118.700 0.018 0.000 2.531 265 N HA 0.396 5.136 4.740 -0.001 0.000 0.290 265 N C -1.179 174.340 175.510 0.014 0.000 1.257 265 N CA -0.488 52.571 53.050 0.015 0.000 0.863 265 N CB 2.083 40.576 38.487 0.010 0.000 1.320 265 N HN 0.359 nan 8.380 nan 0.000 0.538 266 D N 0.255 120.661 120.400 0.009 0.000 2.423 266 D HA 0.389 5.028 4.640 -0.001 0.000 0.255 266 D C 0.103 176.405 176.300 0.004 0.000 1.174 266 D CA -0.120 53.886 54.000 0.010 0.000 1.008 266 D CB 0.981 41.787 40.800 0.011 0.000 1.101 266 D HN 0.286 nan 8.370 nan 0.000 0.516 267 I N 1.979 122.557 120.570 0.012 0.000 2.352 267 I HA 0.171 4.340 4.170 -0.001 0.000 0.290 267 I C -1.919 174.191 176.117 -0.012 0.000 1.036 267 I CA -1.689 59.605 61.300 -0.012 0.000 1.336 267 I CB 0.846 38.852 38.000 0.010 0.000 1.407 267 I HN 0.049 nan 8.210 nan 0.000 0.497 268 P HA 0.118 nan 4.420 nan 0.000 0.264 268 P C -0.774 176.498 177.300 -0.046 0.000 1.193 268 P CA -0.115 62.960 63.100 -0.041 0.000 0.763 268 P CB 0.429 32.096 31.700 -0.055 0.000 0.810 269 R N 2.537 123.024 120.500 -0.022 0.000 2.604 269 R HA 0.323 4.663 4.340 -0.001 0.000 0.287 269 R C 1.080 177.367 176.300 -0.022 0.000 0.970 269 R CA -0.875 55.218 56.100 -0.012 0.000 0.946 269 R CB 1.446 31.754 30.300 0.014 0.000 1.127 269 R HN 0.354 nan 8.270 nan 0.000 0.473 270 R N 0.671 121.158 120.500 -0.022 0.000 2.062 270 R HA 0.040 4.380 4.340 -0.001 0.000 0.226 270 R C 0.094 176.392 176.300 -0.004 0.000 1.125 270 R CA 1.537 57.625 56.100 -0.020 0.000 0.966 270 R CB 0.051 30.337 30.300 -0.024 0.000 0.861 270 R HN 0.605 nan 8.270 nan 0.000 0.433 271 D N -1.503 118.903 120.400 0.010 0.000 2.269 271 D HA 0.282 4.922 4.640 -0.001 0.000 0.244 271 D C 0.078 176.384 176.300 0.009 0.000 0.992 271 D CA 0.246 54.256 54.000 0.018 0.000 0.894 271 D CB 2.155 42.980 40.800 0.041 0.000 1.248 271 D HN 0.233 nan 8.370 nan 0.000 0.468 272 A N 2.291 125.112 122.820 0.002 0.000 2.015 272 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 272 A C 0.819 178.385 177.584 -0.030 0.000 1.163 272 A CA 0.967 52.993 52.037 -0.017 0.000 0.646 272 A CB 0.044 19.034 19.000 -0.016 0.000 0.806 272 A HN 0.493 nan 8.150 nan 0.000 0.448 273 D N -0.565 119.839 120.400 0.006 0.000 2.329 273 D HA 0.275 4.915 4.640 -0.001 0.000 0.232 273 D C -0.167 176.174 176.300 0.069 0.000 1.088 273 D CA -0.506 53.510 54.000 0.027 0.000 0.835 273 D CB 0.874 41.721 40.800 0.079 0.000 1.078 273 D HN 0.011 nan 8.370 nan 0.000 0.495 274 D N 2.393 122.795 120.400 0.003 0.000 2.264 274 D HA -0.176 4.463 4.640 -0.001 0.000 0.208 274 D C 1.353 177.772 176.300 0.199 0.000 0.966 274 D CA 0.632 54.683 54.000 0.085 0.000 0.864 274 D CB -0.035 40.699 40.800 -0.109 0.000 0.933 274 D HN 0.575 nan 8.370 nan 0.000 0.499 275 Y N 1.608 121.950 120.300 0.070 0.000 2.128 275 Y HA -0.273 4.277 4.550 -0.001 0.000 0.284 275 Y C 2.305 178.386 175.900 0.302 0.000 1.154 275 Y CA 1.966 60.186 58.100 0.200 0.000 1.149 275 Y CB -0.356 38.223 38.460 0.198 0.000 0.976 275 Y HN -0.098 nan 8.280 nan 0.000 0.505 276 T N 0.684 115.463 114.554 0.375 0.000 2.701 276 T HA -0.172 4.177 4.350 -0.001 0.000 0.263 276 T C 1.640 176.446 174.700 0.175 0.000 1.040 276 T CA 1.402 63.651 62.100 0.248 0.000 1.147 276 T CB -0.379 68.601 68.868 0.187 0.000 0.865 276 T HN 0.371 nan 8.240 nan 0.000 0.426 277 N N 1.028 119.820 118.700 0.155 0.000 2.036 277 N HA -0.068 4.671 4.740 -0.001 0.000 0.195 277 N C 1.640 177.190 175.510 0.067 0.000 1.037 277 N CA 1.343 54.447 53.050 0.090 0.000 0.855 277 N CB -0.637 37.884 38.487 0.057 0.000 1.033 277 N HN 0.354 nan 8.380 nan 0.000 0.423 278 F N 0.626 120.623 119.950 0.079 0.000 2.186 278 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 278 F C 2.188 178.133 175.800 0.240 0.000 1.090 278 F CA 0.258 58.315 58.000 0.094 0.000 1.307 278 F CB -0.437 38.475 39.000 -0.147 0.000 1.019 278 F HN -0.009 nan 8.300 nan 0.000 0.489 279 L N 0.505 121.959 121.223 0.385 0.000 2.093 279 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 279 L C 2.049 178.938 176.870 0.033 0.000 1.085 279 L CA 1.821 56.730 54.840 0.115 0.000 0.755 279 L CB -0.687 41.327 42.059 -0.075 0.000 0.904 279 L HN -0.009 nan 8.230 nan 0.000 0.435 280 K N -1.036 119.404 120.400 0.066 0.000 2.217 280 K HA 0.020 4.340 4.320 -0.001 0.000 0.202 280 K C 1.981 178.603 176.600 0.037 0.000 1.051 280 K CA 0.940 57.247 56.287 0.032 0.000 0.952 280 K CB -0.162 32.358 32.500 0.034 0.000 0.736 280 K HN 0.397 nan 8.250 nan 0.000 0.453 281 A N 0.951 123.822 122.820 0.083 0.000 1.968 281 A HA 0.126 4.445 4.320 -0.001 0.000 0.217 281 A C 1.446 179.095 177.584 0.108 0.000 1.169 281 A CA 1.625 53.721 52.037 0.097 0.000 0.638 281 A CB -0.419 18.696 19.000 0.192 0.000 0.812 281 A HN 0.433 nan 8.150 nan 0.000 0.446 282 G N -0.947 107.913 108.800 0.101 0.000 3.076 282 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.256 282 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.256 282 G C 0.639 175.641 174.900 0.170 0.000 1.589 282 G CA 0.708 45.831 45.100 0.038 0.000 1.044 282 G HN 1.695 nan 8.290 nan 0.000 0.563 283 S N 1.246 117.120 115.700 0.290 0.000 2.645 283 S HA 0.727 5.197 4.470 -0.001 0.000 0.266 283 S C 1.661 176.547 174.600 0.477 0.000 1.258 283 S CA 0.631 59.088 58.200 0.428 0.000 0.990 283 S CB 1.576 65.033 63.200 0.428 0.000 0.967 283 S HN 2.164 nan 8.310 nan 0.000 0.556 284 A N 1.223 124.400 122.820 0.595 0.000 1.930 284 A HA 0.173 4.492 4.320 -0.001 0.000 0.217 284 A C 2.148 180.090 177.584 0.597 0.000 1.175 284 A CA 1.510 53.999 52.037 0.753 0.000 0.627 284 A CB -1.749 17.812 19.000 0.935 0.000 0.815 284 A HN 1.120 nan 8.150 nan 0.000 0.443 285 G N -0.965 108.195 108.800 0.600 0.000 2.408 285 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.217 285 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.217 285 G C 1.891 176.937 174.900 0.245 0.000 1.150 285 G CA 1.418 46.822 45.100 0.506 0.000 0.776 285 G HN 0.549 nan 8.290 nan 0.000 0.542 286 S N -0.325 115.519 115.700 0.239 0.000 2.355 286 S HA -0.101 4.369 4.470 -0.001 0.000 0.222 286 S C 2.053 176.664 174.600 0.020 0.000 1.031 286 S CA 1.314 59.589 58.200 0.125 0.000 0.993 286 S CB -0.413 62.879 63.200 0.153 0.000 0.859 286 S HN 0.364 nan 8.310 nan 0.000 0.453 287 F N 2.212 122.103 119.950 -0.097 0.000 2.134 287 F HA 0.008 4.535 4.527 -0.001 0.000 0.299 287 F C 2.281 177.774 175.800 -0.511 0.000 1.097 287 F CA 1.264 59.092 58.000 -0.286 0.000 1.264 287 F CB -0.738 38.093 39.000 -0.282 0.000 1.001 287 F HN 0.285 nan 8.300 nan 0.000 0.479 288 A N -0.345 122.160 122.820 -0.526 0.000 1.883 288 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 288 A C 2.190 179.474 177.584 -0.500 0.000 1.186 288 A CA 2.410 53.907 52.037 -0.900 0.000 0.624 288 A CB -1.473 16.849 19.000 -1.130 0.000 0.822 288 A HN 0.432 nan 8.150 nan 0.000 0.444 289 T N 0.064 114.465 114.554 -0.256 0.000 2.684 289 T HA -0.205 4.145 4.350 -0.001 0.000 0.267 289 T C 2.038 176.607 174.700 -0.218 0.000 1.036 289 T CA 1.824 63.832 62.100 -0.154 0.000 1.148 289 T CB -0.328 68.503 68.868 -0.062 0.000 0.863 289 T HN 0.619 nan 8.240 nan 0.000 0.436 290 Q N 0.388 120.012 119.800 -0.294 0.000 2.226 290 Q HA 0.041 4.380 4.340 -0.001 0.000 0.204 290 Q C 2.231 177.991 176.000 -0.400 0.000 0.975 290 Q CA 1.198 56.804 55.803 -0.328 0.000 0.866 290 Q CB -0.161 28.349 28.738 -0.379 0.000 0.915 290 Q HN 0.529 nan 8.270 nan 0.000 0.440 291 A N -0.409 122.094 122.820 -0.529 0.000 2.275 291 A HA 0.358 4.677 4.320 -0.001 0.000 0.212 291 A C 1.322 178.743 177.584 -0.272 0.000 1.201 291 A CA 0.579 52.336 52.037 -0.466 0.000 0.843 291 A CB -0.121 18.502 19.000 -0.628 0.000 0.873 291 A HN 0.405 nan 8.150 nan 0.000 0.492 292 G N -0.867 107.811 108.800 -0.204 0.000 2.147 292 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.244 292 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.244 292 G C 0.679 175.593 174.900 0.024 0.000 1.005 292 G CA 0.477 45.538 45.100 -0.064 0.000 0.713 292 G HN 0.451 nan 8.290 nan 0.000 0.515 293 L N -0.069 121.079 121.223 -0.125 0.000 2.478 293 L HA 0.080 4.420 4.340 -0.001 0.000 0.223 293 L C 2.128 179.145 176.870 0.245 0.000 1.140 293 L CA 0.829 55.611 54.840 -0.097 0.000 0.842 293 L CB -0.142 41.607 42.059 -0.518 0.000 0.953 293 L HN 0.089 nan 8.230 nan 0.000 0.452 294 D N 0.290 120.801 120.400 0.184 0.000 2.311 294 D HA -0.207 4.432 4.640 -0.001 0.000 0.212 294 D C 1.985 178.385 176.300 0.166 0.000 0.972 294 D CA 0.935 55.059 54.000 0.206 0.000 0.887 294 D CB 0.059 40.902 40.800 0.071 0.000 0.915 294 D HN 0.597 nan 8.370 nan 0.000 0.497 295 Q N -0.658 119.262 119.800 0.200 0.000 2.360 295 Q HA -0.042 4.297 4.340 -0.001 0.000 0.202 295 Q C -0.170 175.879 176.000 0.083 0.000 0.915 295 Q CA -0.014 55.849 55.803 0.100 0.000 0.943 295 Q CB -0.084 28.671 28.738 0.028 0.000 1.064 295 Q HN 0.260 nan 8.270 nan 0.000 0.511 296 Y N 1.630 121.981 120.300 0.085 0.000 2.383 296 Y HA 0.234 4.783 4.550 -0.001 0.000 0.344 296 Y C -1.571 174.381 175.900 0.086 0.000 0.986 296 Y CA -2.552 55.607 58.100 0.099 0.000 1.175 296 Y CB 1.448 39.994 38.460 0.144 0.000 1.152 296 Y HN 0.040 nan 8.280 nan 0.000 0.511 297 P HA -0.261 nan 4.420 nan 0.000 0.216 297 P C 1.551 178.893 177.300 0.070 0.000 1.153 297 P CA 1.426 64.567 63.100 0.069 0.000 0.858 297 P CB 0.056 31.787 31.700 0.051 0.000 0.789 298 F N -0.942 118.997 119.950 -0.018 0.000 2.134 298 F HA -0.145 4.382 4.527 -0.001 0.000 0.299 298 F C 2.255 177.977 175.800 -0.131 0.000 1.097 298 F CA 1.266 59.200 58.000 -0.110 0.000 1.264 298 F CB -0.823 38.049 39.000 -0.213 0.000 1.001 298 F HN 0.004 nan 8.300 nan 0.000 0.479 299 W N 1.278 122.425 121.300 -0.255 0.000 2.402 299 W HA -0.208 4.452 4.660 -0.001 0.000 0.286 299 W C 1.938 178.327 176.519 -0.216 0.000 1.221 299 W CA 1.471 58.659 57.345 -0.262 0.000 1.257 299 W CB -0.369 29.062 29.460 -0.048 0.000 1.120 299 W HN 0.177 nan 8.180 nan 0.000 0.551 300 Q N 0.239 119.835 119.800 -0.341 0.000 2.096 300 Q HA -0.214 4.126 4.340 -0.001 0.000 0.204 300 Q C 2.371 178.078 176.000 -0.488 0.000 0.982 300 Q CA 1.918 57.455 55.803 -0.443 0.000 0.850 300 Q CB -0.287 28.316 28.738 -0.225 0.000 0.901 300 Q HN 0.308 nan 8.270 nan 0.000 0.422 301 R N 0.125 120.339 120.500 -0.477 0.000 2.066 301 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 301 R C 2.317 178.251 176.300 -0.610 0.000 1.131 301 R CA 1.414 57.162 56.100 -0.586 0.000 0.955 301 R CB -0.379 29.539 30.300 -0.636 0.000 0.851 301 R HN 0.320 nan 8.270 nan 0.000 0.432 302 M N 0.397 119.651 119.600 -0.576 0.000 2.108 302 M HA -0.221 4.258 4.480 -0.001 0.000 0.261 302 M C 2.420 178.579 176.300 -0.235 0.000 1.066 302 M CA 1.745 56.947 55.300 -0.163 0.000 1.107 302 M CB -0.352 32.188 32.600 -0.100 0.000 1.356 302 M HN 0.225 nan 8.290 nan 0.000 0.406 303 H N 0.070 118.576 119.070 -0.940 0.000 2.387 303 H HA -0.104 4.451 4.556 -0.001 0.000 0.299 303 H C 1.609 176.700 175.328 -0.396 0.000 1.099 303 H CA 1.920 57.365 56.048 -1.004 0.000 1.315 303 H CB 0.055 28.968 29.762 -1.415 0.000 1.380 303 H HN 0.548 nan 8.280 nan 0.000 0.513 304 A N 0.294 122.872 122.820 -0.404 0.000 2.123 304 A HA -0.044 4.276 4.320 -0.001 0.000 0.214 304 A C 0.512 177.741 177.584 -0.592 0.000 1.152 304 A CA 0.396 52.138 52.037 -0.491 0.000 0.728 304 A CB -0.078 18.566 19.000 -0.594 0.000 0.814 304 A HN 0.482 nan 8.150 nan 0.000 0.464 305 H N -0.549 118.468 119.070 -0.087 0.000 2.355 305 H HA 0.187 4.742 4.556 -0.001 0.000 0.232 305 H C -2.029 173.563 175.328 0.441 0.000 1.422 305 H CA -1.468 54.638 56.048 0.096 0.000 1.261 305 H CB 0.437 30.147 29.762 -0.086 0.000 1.595 305 H HN 0.367 nan 8.280 nan 0.000 0.529 306 P HA -0.045 nan 4.420 nan 0.000 0.221 306 P C 0.804 178.356 177.300 0.419 0.000 1.150 306 P CA 0.583 63.946 63.100 0.438 0.000 0.800 306 P CB 0.644 32.485 31.700 0.236 0.000 0.787 307 A N -0.608 122.427 122.820 0.357 0.000 2.256 307 A HA 0.294 4.614 4.320 -0.001 0.000 0.318 307 A C -0.618 176.804 177.584 -0.270 0.000 1.103 307 A CA -0.541 51.611 52.037 0.192 0.000 0.860 307 A CB -0.175 18.994 19.000 0.283 0.000 1.182 307 A HN 0.013 nan 8.150 nan 0.000 0.501 308 Y N 2.173 121.806 120.300 -1.112 0.000 2.724 308 Y HA 0.198 4.747 4.550 -0.001 0.000 0.354 308 Y C 0.171 175.831 175.900 -0.400 0.000 1.270 308 Y CA -1.062 56.291 58.100 -1.246 0.000 1.902 308 Y CB -0.897 36.551 38.460 -1.686 0.000 1.981 308 Y HN 0.761 nan 8.280 nan 0.000 0.428 309 D N 0.139 120.409 120.400 -0.217 0.000 2.507 309 D HA 0.265 4.905 4.640 -0.001 0.000 0.280 309 D C 1.520 177.667 176.300 -0.256 0.000 1.219 309 D CA 0.038 53.950 54.000 -0.147 0.000 1.085 309 D CB 0.095 40.904 40.800 0.015 0.000 1.134 309 D HN 0.237 nan 8.370 nan 0.000 0.583 310 A N -0.715 121.994 122.820 -0.185 0.000 1.948 310 A HA -0.186 4.133 4.320 -0.001 0.000 0.220 310 A C 2.000 179.423 177.584 -0.269 0.000 1.177 310 A CA 1.680 53.596 52.037 -0.202 0.000 0.636 310 A CB -1.279 17.645 19.000 -0.127 0.000 0.815 310 A HN 0.549 nan 8.150 nan 0.000 0.449 311 F N -0.924 118.692 119.950 -0.556 0.000 2.095 311 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 311 F C 1.954 177.360 175.800 -0.657 0.000 1.104 311 F CA 1.934 59.476 58.000 -0.764 0.000 1.232 311 F CB -0.506 37.666 39.000 -1.381 0.000 0.987 311 F HN 0.423 nan 8.300 nan 0.000 0.475 312 W N 0.259 121.340 121.300 -0.366 0.000 2.494 312 W HA -0.023 4.636 4.660 -0.001 0.000 0.286 312 W C 2.528 178.742 176.519 -0.508 0.000 1.218 312 W CA 0.702 57.813 57.345 -0.391 0.000 1.313 312 W CB -0.715 28.570 29.460 -0.292 0.000 1.105 312 W HN -0.017 nan 8.180 nan 0.000 0.561 313 Q N -0.064 119.413 119.800 -0.539 0.000 2.135 313 Q HA -0.125 4.215 4.340 -0.001 0.000 0.204 313 Q C 2.391 178.275 176.000 -0.193 0.000 0.981 313 Q CA 1.456 56.981 55.803 -0.463 0.000 0.856 313 Q CB -0.768 27.707 28.738 -0.438 0.000 0.902 313 Q HN 0.403 nan 8.270 nan 0.000 0.425 314 G N 0.188 108.859 108.800 -0.214 0.000 2.776 314 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.209 314 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.209 314 G C 0.856 175.692 174.900 -0.107 0.000 1.145 314 G CA 0.167 45.174 45.100 -0.155 0.000 0.791 314 G HN 0.304 nan 8.290 nan 0.000 0.530 315 Q N -0.532 119.223 119.800 -0.075 0.000 2.139 315 Q HA 0.370 4.709 4.340 -0.001 0.000 0.219 315 Q C 0.576 176.677 176.000 0.169 0.000 0.805 315 Q CA -0.377 55.456 55.803 0.050 0.000 1.024 315 Q CB 1.376 30.134 28.738 0.033 0.000 1.163 315 Q HN 0.291 nan 8.270 nan 0.000 0.485 316 A N 1.435 124.343 122.820 0.146 0.000 2.544 316 A HA 0.210 4.530 4.320 -0.001 0.000 0.301 316 A C 0.924 178.620 177.584 0.186 0.000 1.368 316 A CA -0.110 52.050 52.037 0.206 0.000 1.045 316 A CB -0.239 18.896 19.000 0.224 0.000 1.129 316 A HN 0.411 nan 8.150 nan 0.000 0.540 317 L N 1.296 122.649 121.223 0.215 0.000 2.275 317 L HA -0.124 4.215 4.340 -0.001 0.000 0.215 317 L C 2.067 179.045 176.870 0.180 0.000 1.119 317 L CA 1.151 56.108 54.840 0.196 0.000 0.790 317 L CB -0.458 41.737 42.059 0.227 0.000 0.919 317 L HN 0.797 nan 8.230 nan 0.000 0.443 318 D N 0.093 120.609 120.400 0.192 0.000 2.144 318 D HA -0.199 4.441 4.640 -0.001 0.000 0.199 318 D C 1.774 178.145 176.300 0.119 0.000 0.984 318 D CA 1.112 55.197 54.000 0.142 0.000 0.834 318 D CB -0.212 40.691 40.800 0.171 0.000 0.955 318 D HN 0.194 nan 8.370 nan 0.000 0.465 319 K N 0.166 120.650 120.400 0.140 0.000 2.076 319 K HA 0.043 4.363 4.320 -0.001 0.000 0.204 319 K C 2.294 178.949 176.600 0.093 0.000 1.051 319 K CA 0.145 56.500 56.287 0.114 0.000 0.949 319 K CB -0.110 32.465 32.500 0.125 0.000 0.726 319 K HN 0.241 nan 8.250 nan 0.000 0.443 320 I N 1.223 121.852 120.570 0.099 0.000 2.252 320 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 320 I C 2.370 178.541 176.117 0.090 0.000 1.102 320 I CA 0.797 62.148 61.300 0.086 0.000 1.385 320 I CB -0.946 37.107 38.000 0.088 0.000 1.064 320 I HN 0.040 nan 8.210 nan 0.000 0.414 321 L N 1.541 122.830 121.223 0.109 0.000 2.083 321 L HA -0.069 4.271 4.340 -0.001 0.000 0.209 321 L C 2.573 179.501 176.870 0.096 0.000 1.083 321 L CA 1.975 56.888 54.840 0.122 0.000 0.752 321 L CB -0.893 41.271 42.059 0.175 0.000 0.899 321 L HN 0.188 nan 8.230 nan 0.000 0.433 322 A N -1.300 121.563 122.820 0.072 0.000 1.972 322 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 322 A C 2.163 179.775 177.584 0.047 0.000 1.169 322 A CA 1.788 53.853 52.037 0.046 0.000 0.635 322 A CB -0.484 18.534 19.000 0.030 0.000 0.810 322 A HN 0.663 nan 8.150 nan 0.000 0.446 323 Q N -1.165 118.667 119.800 0.054 0.000 2.230 323 Q HA -0.048 4.291 4.340 -0.001 0.000 0.202 323 Q C 2.094 178.123 176.000 0.049 0.000 0.963 323 Q CA 0.754 56.586 55.803 0.047 0.000 0.866 323 Q CB -0.021 28.745 28.738 0.048 0.000 0.931 323 Q HN 0.440 nan 8.270 nan 0.000 0.452 324 R N 0.955 121.491 120.500 0.060 0.000 2.127 324 R HA 0.056 4.395 4.340 -0.001 0.000 0.217 324 R C 0.132 176.470 176.300 0.062 0.000 1.074 324 R CA 0.381 56.518 56.100 0.062 0.000 0.991 324 R CB -0.053 30.292 30.300 0.074 0.000 0.895 324 R HN 0.146 nan 8.270 nan 0.000 0.450 325 K N 1.310 121.750 120.400 0.067 0.000 3.974 325 K HA -0.112 4.207 4.320 -0.001 0.000 0.280 325 K C -2.346 174.296 176.600 0.071 0.000 0.949 325 K CA 0.093 56.419 56.287 0.064 0.000 0.817 325 K CB -1.078 31.450 32.500 0.046 0.000 1.535 325 K HN 0.266 nan 8.250 nan 0.000 0.444 326 P HA 0.000 nan 4.420 nan 0.000 0.274 326 P C 0.563 177.906 177.300 0.071 0.000 1.231 326 P CA 0.008 63.157 63.100 0.083 0.000 0.790 326 P CB 0.971 32.734 31.700 0.105 0.000 0.951 327 T N -2.663 111.918 114.554 0.044 0.000 3.129 327 T HA 0.180 4.530 4.350 -0.001 0.000 0.267 327 T C 0.466 175.157 174.700 -0.015 0.000 1.018 327 T CA -0.255 61.861 62.100 0.026 0.000 0.903 327 T CB -0.416 68.465 68.868 0.021 0.000 1.067 327 T HN 0.076 nan 8.240 nan 0.000 0.549 328 V N 3.970 123.871 119.914 -0.021 0.000 2.488 328 V HA 0.300 4.419 4.120 -0.001 0.000 0.277 328 V C -2.195 173.839 176.094 -0.099 0.000 1.046 328 V CA -1.958 60.286 62.300 -0.094 0.000 0.986 328 V CB 0.797 32.575 31.823 -0.075 0.000 0.989 328 V HN 0.280 nan 8.190 nan 0.000 0.475 329 P HA 0.147 nan 4.420 nan 0.000 0.264 329 P C -0.506 176.842 177.300 0.079 0.000 1.193 329 P CA 0.475 63.496 63.100 -0.132 0.000 0.763 329 P CB 0.321 31.611 31.700 -0.684 0.000 0.810 330 M N 3.035 122.777 119.600 0.236 0.000 2.465 330 M HA 0.454 4.933 4.480 -0.001 0.000 0.316 330 M C -0.880 175.465 176.300 0.075 0.000 1.121 330 M CA -0.873 54.488 55.300 0.103 0.000 0.934 330 M CB 2.114 34.716 32.600 0.003 0.000 1.692 330 M HN 0.081 nan 8.290 nan 0.000 0.444 331 L N 2.807 123.973 121.223 -0.095 0.000 2.377 331 L HA 0.526 4.866 4.340 -0.001 0.000 0.270 331 L C -2.044 174.692 176.870 -0.224 0.000 0.991 331 L CA 0.034 54.771 54.840 -0.172 0.000 0.851 331 L CB 0.827 42.772 42.059 -0.190 0.000 1.218 331 L HN 0.617 nan 8.230 nan 0.000 0.420 332 W N 4.445 125.717 121.300 -0.047 0.000 2.351 332 W HA 0.576 5.235 4.660 -0.001 0.000 0.311 332 W C 0.429 176.856 176.519 -0.154 0.000 1.168 332 W CA -0.179 57.140 57.345 -0.043 0.000 1.200 332 W CB 1.067 30.545 29.460 0.029 0.000 1.221 332 W HN 0.393 nan 8.180 nan 0.000 0.519 333 E N 3.741 123.988 120.200 0.078 0.000 2.317 333 E HA 0.408 4.757 4.350 -0.001 0.000 0.270 333 E C -1.182 175.450 176.600 0.052 0.000 0.885 333 E CA -0.690 55.689 56.400 -0.036 0.000 0.760 333 E CB 2.225 31.821 29.700 -0.173 0.000 1.227 333 E HN 0.686 nan 8.360 nan 0.000 0.434 334 Q N 1.248 121.076 119.800 0.046 0.000 2.578 334 Q HA 0.622 4.961 4.340 -0.001 0.000 0.284 334 Q C -0.823 175.241 176.000 0.107 0.000 0.960 334 Q CA -1.145 54.718 55.803 0.099 0.000 0.809 334 Q CB 0.837 29.625 28.738 0.084 0.000 1.462 334 Q HN 0.475 nan 8.270 nan 0.000 0.392 335 G N 1.000 109.902 108.800 0.170 0.000 2.444 335 G HA2 0.384 4.344 3.960 -0.001 0.000 0.268 335 G HA3 0.384 4.344 3.960 -0.001 0.000 0.268 335 G C 0.337 175.179 174.900 -0.096 0.000 1.203 335 G CA -0.839 44.336 45.100 0.125 0.000 0.835 335 G HN 0.649 nan 8.290 nan 0.000 0.543 336 L N 0.473 121.497 121.223 -0.330 0.000 2.201 336 L HA 0.009 4.348 4.340 -0.001 0.000 0.212 336 L C 1.043 177.579 176.870 -0.557 0.000 1.105 336 L CA 0.751 55.258 54.840 -0.554 0.000 0.775 336 L CB 0.029 41.535 42.059 -0.922 0.000 0.913 336 L HN 0.551 nan 8.230 nan 0.000 0.440 337 W N 0.065 121.293 121.300 -0.120 0.000 1.931 337 W HA 0.205 4.865 4.660 -0.001 0.000 0.346 337 W C -0.029 176.426 176.519 -0.107 0.000 0.775 337 W CA -0.996 56.270 57.345 -0.133 0.000 2.738 337 W CB 0.015 29.386 29.460 -0.148 0.000 1.908 337 W HN -0.069 nan 8.180 nan 0.000 0.665 338 D N 2.466 122.931 120.400 0.108 0.000 2.342 338 D HA -0.050 4.590 4.640 -0.001 0.000 0.260 338 D C 1.549 177.884 176.300 0.058 0.000 1.278 338 D CA 0.557 54.641 54.000 0.140 0.000 0.910 338 D CB 1.050 41.959 40.800 0.181 0.000 1.079 338 D HN 0.154 nan 8.370 nan 0.000 0.496 339 Q N 2.717 122.495 119.800 -0.037 0.000 2.415 339 Q HA -0.024 4.316 4.340 -0.001 0.000 0.206 339 Q C 0.143 176.128 176.000 -0.025 0.000 0.946 339 Q CA 0.803 56.498 55.803 -0.181 0.000 0.951 339 Q CB 0.284 28.686 28.738 -0.559 0.000 1.026 339 Q HN 0.591 nan 8.270 nan 0.000 0.510 340 E N -0.086 120.093 120.200 -0.035 0.000 2.441 340 E HA 0.123 4.473 4.350 -0.001 0.000 0.207 340 E C -0.297 176.230 176.600 -0.120 0.000 0.803 340 E CA 0.087 56.405 56.400 -0.136 0.000 1.240 340 E CB 0.734 30.140 29.700 -0.491 0.000 1.233 340 E HN 0.227 nan 8.360 nan 0.000 0.590 341 D N 0.807 121.190 120.400 -0.030 0.000 2.739 341 D HA 0.115 4.755 4.640 -0.001 0.000 0.335 341 D C 0.312 176.718 176.300 0.177 0.000 1.216 341 D CA -0.020 54.033 54.000 0.087 0.000 0.808 341 D CB 1.137 42.028 40.800 0.152 0.000 1.121 341 D HN 0.027 nan 8.370 nan 0.000 0.499 342 M N 0.081 119.788 119.600 0.177 0.000 2.394 342 M HA 0.005 4.484 4.480 -0.001 0.000 0.264 342 M C 1.542 177.965 176.300 0.205 0.000 1.073 342 M CA 1.187 56.592 55.300 0.174 0.000 1.111 342 M CB 0.088 32.800 32.600 0.187 0.000 1.401 342 M HN 0.388 nan 8.290 nan 0.000 0.448 343 W N 0.164 121.466 121.300 0.003 0.000 2.481 343 W HA 0.083 4.742 4.660 -0.001 0.000 0.293 343 W C 1.687 178.305 176.519 0.164 0.000 1.201 343 W CA 1.411 58.783 57.345 0.045 0.000 1.328 343 W CB -0.885 28.452 29.460 -0.206 0.000 1.112 343 W HN 0.304 nan 8.180 nan 0.000 0.546 344 G N 1.659 110.676 108.800 0.361 0.000 2.875 344 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.220 344 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.220 344 G C 1.662 176.676 174.900 0.189 0.000 1.293 344 G CA 2.742 48.021 45.100 0.298 0.000 0.789 344 G HN 0.379 nan 8.290 nan 0.000 0.677 345 A N 0.209 123.156 122.820 0.211 0.000 1.873 345 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 345 A C 2.524 180.101 177.584 -0.012 0.000 1.193 345 A CA 2.033 54.196 52.037 0.209 0.000 0.629 345 A CB -0.531 18.624 19.000 0.258 0.000 0.826 345 A HN 0.601 nan 8.150 nan 0.000 0.447 346 I N -1.778 118.773 120.570 -0.030 0.000 2.252 346 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 346 I C 2.319 178.355 176.117 -0.135 0.000 1.102 346 I CA 1.830 63.087 61.300 -0.071 0.000 1.385 346 I CB -0.142 37.776 38.000 -0.136 0.000 1.064 346 I HN 0.489 nan 8.210 nan 0.000 0.414 347 H N 0.304 119.218 119.070 -0.259 0.000 2.423 347 H HA 0.003 4.558 4.556 -0.001 0.000 0.297 347 H C 2.213 177.410 175.328 -0.218 0.000 1.075 347 H CA 1.437 57.296 56.048 -0.315 0.000 1.342 347 H CB -0.129 29.268 29.762 -0.610 0.000 1.395 347 H HN 0.444 nan 8.280 nan 0.000 0.530 348 A N 0.232 122.940 122.820 -0.187 0.000 1.873 348 A HA -0.183 4.137 4.320 -0.001 0.000 0.215 348 A C 2.122 179.318 177.584 -0.647 0.000 1.186 348 A CA 1.373 53.144 52.037 -0.444 0.000 0.616 348 A CB -1.111 17.421 19.000 -0.780 0.000 0.823 348 A HN 0.688 nan 8.150 nan 0.000 0.442 349 W N 0.654 121.376 121.300 -0.963 0.000 2.358 349 W HA -0.204 4.456 4.660 -0.001 0.000 0.303 349 W C 2.159 178.486 176.519 -0.320 0.000 1.208 349 W CA 2.067 58.959 57.345 -0.756 0.000 1.274 349 W CB -0.205 28.924 29.460 -0.552 0.000 1.138 349 W HN 0.393 nan 8.180 nan 0.000 0.515 350 Q N 0.904 120.510 119.800 -0.324 0.000 2.119 350 Q HA -0.094 4.246 4.340 -0.001 0.000 0.201 350 Q C 2.231 178.007 176.000 -0.374 0.000 0.972 350 Q CA 2.578 58.086 55.803 -0.492 0.000 0.847 350 Q CB -0.827 27.779 28.738 -0.219 0.000 0.903 350 Q HN 0.287 nan 8.270 nan 0.000 0.433 351 A N -0.168 122.508 122.820 -0.240 0.000 1.969 351 A HA -0.075 4.245 4.320 -0.001 0.000 0.218 351 A C 2.023 179.515 177.584 -0.152 0.000 1.169 351 A CA 1.169 53.122 52.037 -0.140 0.000 0.635 351 A CB -0.562 18.403 19.000 -0.057 0.000 0.810 351 A HN 0.444 nan 8.150 nan 0.000 0.445 352 L N -0.874 120.224 121.223 -0.207 0.000 2.109 352 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 352 L C 2.574 179.332 176.870 -0.186 0.000 1.086 352 L CA 1.545 56.305 54.840 -0.133 0.000 0.760 352 L CB -0.314 41.713 42.059 -0.054 0.000 0.910 352 L HN 0.433 nan 8.230 nan 0.000 0.437 353 K N 0.254 120.431 120.400 -0.371 0.000 2.025 353 K HA -0.190 4.130 4.320 -0.001 0.000 0.207 353 K C 1.562 178.023 176.600 -0.232 0.000 1.049 353 K CA 1.716 57.775 56.287 -0.381 0.000 0.933 353 K CB 0.045 32.112 32.500 -0.721 0.000 0.714 353 K HN 0.198 nan 8.250 nan 0.000 0.438 354 D N 0.325 120.593 120.400 -0.220 0.000 2.178 354 D HA -0.111 4.529 4.640 -0.001 0.000 0.201 354 D C 1.317 177.569 176.300 -0.080 0.000 0.980 354 D CA 1.111 55.032 54.000 -0.133 0.000 0.842 354 D CB -0.023 40.709 40.800 -0.113 0.000 0.948 354 D HN 0.332 nan 8.370 nan 0.000 0.472 355 A N 0.258 123.035 122.820 -0.071 0.000 2.278 355 A HA -0.030 4.290 4.320 -0.001 0.000 0.212 355 A C 0.400 177.970 177.584 -0.024 0.000 1.213 355 A CA 0.101 52.118 52.037 -0.033 0.000 0.840 355 A CB -0.085 18.906 19.000 -0.016 0.000 0.866 355 A HN 0.056 nan 8.150 nan 0.000 0.489 356 D N -0.309 120.066 120.400 -0.041 0.000 2.737 356 D HA -0.144 4.495 4.640 -0.001 0.000 0.238 356 D C 0.009 176.309 176.300 -0.000 0.000 1.157 356 D CA 0.869 54.855 54.000 -0.023 0.000 0.694 356 D CB -1.226 39.568 40.800 -0.010 0.000 1.021 356 D HN 0.364 nan 8.370 nan 0.000 0.420 357 V N 2.003 121.916 119.914 -0.000 0.000 2.694 357 V HA -0.066 4.053 4.120 -0.001 0.000 0.306 357 V C 0.887 177.010 176.094 0.048 0.000 1.054 357 V CA 0.471 62.790 62.300 0.033 0.000 1.161 357 V CB 0.923 32.778 31.823 0.054 0.000 0.916 357 V HN 0.115 nan 8.190 nan 0.000 0.490 358 K N 6.305 126.736 120.400 0.053 0.000 2.997 358 K HA 0.614 4.933 4.320 -0.001 0.000 0.249 358 K C -0.227 176.412 176.600 0.066 0.000 1.284 358 K CA 0.374 56.694 56.287 0.056 0.000 1.245 358 K CB 0.297 32.824 32.500 0.046 0.000 1.670 358 K HN 0.822 nan 8.250 nan 0.000 0.385 359 A N 1.086 123.958 122.820 0.087 0.000 2.597 359 A HA 0.521 4.840 4.320 -0.001 0.000 0.292 359 A C -2.953 174.721 177.584 0.151 0.000 1.057 359 A CA -1.274 50.821 52.037 0.096 0.000 0.674 359 A CB 0.946 19.986 19.000 0.067 0.000 1.278 359 A HN 0.053 nan 8.150 nan 0.000 0.416 360 P HA 0.273 nan 4.420 nan 0.000 0.262 360 P C -0.766 176.711 177.300 0.296 0.000 1.182 360 P CA 0.610 63.879 63.100 0.282 0.000 0.761 360 P CB 0.245 32.200 31.700 0.425 0.000 0.795 361 N N 1.393 120.282 118.700 0.315 0.000 2.653 361 N HA 0.220 4.960 4.740 -0.001 0.000 0.261 361 N C -1.591 174.245 175.510 0.543 0.000 1.216 361 N CA -0.294 53.013 53.050 0.429 0.000 0.784 361 N CB 0.720 39.410 38.487 0.338 0.000 1.327 361 N HN 0.060 nan 8.380 nan 0.000 0.539 362 T N 2.273 117.064 114.554 0.396 0.000 2.856 362 T HA 0.489 4.838 4.350 -0.001 0.000 0.283 362 T C -0.877 173.820 174.700 -0.004 0.000 1.008 362 T CA -0.437 61.788 62.100 0.208 0.000 0.997 362 T CB 1.226 70.073 68.868 -0.035 0.000 0.992 362 T HN 0.361 nan 8.240 nan 0.000 0.454 363 L N 4.085 125.025 121.223 -0.472 0.000 2.295 363 L HA 0.772 5.112 4.340 -0.001 0.000 0.285 363 L C -1.181 175.374 176.870 -0.525 0.000 1.035 363 L CA -0.370 54.017 54.840 -0.754 0.000 0.806 363 L CB 1.201 42.262 42.059 -1.663 0.000 1.214 363 L HN 0.429 nan 8.230 nan 0.000 0.426 364 V N 6.331 126.012 119.914 -0.389 0.000 2.531 364 V HA 0.556 4.675 4.120 -0.001 0.000 0.301 364 V C -0.312 175.586 176.094 -0.327 0.000 1.034 364 V CA -0.464 61.616 62.300 -0.367 0.000 0.865 364 V CB 1.739 33.326 31.823 -0.393 0.000 0.995 364 V HN 0.785 nan 8.190 nan 0.000 0.424 365 M N 3.964 123.355 119.600 -0.349 0.000 2.165 365 M HA 0.603 5.083 4.480 -0.001 0.000 0.283 365 M C 0.208 176.145 176.300 -0.605 0.000 0.978 365 M CA -0.204 54.849 55.300 -0.411 0.000 0.948 365 M CB 2.129 34.472 32.600 -0.428 0.000 1.599 365 M HN 0.767 nan 8.290 nan 0.000 0.450 366 G N 2.204 110.274 108.800 -1.217 0.000 2.601 366 G HA2 0.744 4.703 3.960 -0.001 0.000 0.317 366 G HA3 0.744 4.703 3.960 -0.001 0.000 0.317 366 G C -2.762 171.095 174.900 -1.740 0.000 1.246 366 G CA -1.350 42.512 45.100 -2.063 0.000 1.012 366 G HN 0.417 nan 8.290 nan 0.000 0.494 367 P HA 0.187 nan 4.420 nan 0.000 0.220 367 P C -0.966 175.983 177.300 -0.585 0.000 1.806 367 P CA -0.141 62.245 63.100 -1.190 0.000 0.976 367 P CB -0.105 30.392 31.700 -2.005 0.000 1.952 368 W N 1.908 123.162 121.300 -0.076 0.000 2.850 368 W HA 0.445 5.105 4.660 -0.001 0.000 0.349 368 W C 0.658 177.253 176.519 0.126 0.000 1.133 368 W CA -0.797 56.570 57.345 0.038 0.000 1.117 368 W CB 0.668 30.122 29.460 -0.010 0.000 1.442 368 W HN 0.024 nan 8.180 nan 0.000 0.575 369 R N -0.278 120.440 120.500 0.364 0.000 2.541 369 R HA 0.363 4.702 4.340 -0.001 0.000 0.254 369 R C -0.234 176.216 176.300 0.249 0.000 1.130 369 R CA -0.799 55.441 56.100 0.233 0.000 1.152 369 R CB -0.391 29.981 30.300 0.120 0.000 1.222 369 R HN 0.360 nan 8.270 nan 0.000 0.579 370 H N 0.201 119.341 119.070 0.116 0.000 3.157 370 H HA 0.034 4.590 4.556 -0.001 0.000 0.299 370 H C -0.238 175.185 175.328 0.158 0.000 0.961 370 H CA 1.651 57.780 56.048 0.134 0.000 1.428 370 H CB 0.042 29.879 29.762 0.125 0.000 1.459 370 H HN 0.716 nan 8.280 nan 0.000 0.566 371 S N 1.743 117.261 115.700 -0.304 0.000 3.127 371 S HA -0.240 4.229 4.470 -0.001 0.000 0.281 371 S C 1.870 176.479 174.600 0.015 0.000 1.293 371 S CA 0.922 59.008 58.200 -0.189 0.000 1.156 371 S CB -1.681 61.437 63.200 -0.137 0.000 1.389 371 S HN 1.016 nan 8.310 nan 0.000 0.672 372 G N 0.510 109.336 108.800 0.043 0.000 2.470 372 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.220 372 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.220 372 G C 1.216 175.890 174.900 -0.377 0.000 1.121 372 G CA 0.978 46.098 45.100 0.033 0.000 0.766 372 G HN 0.671 nan 8.290 nan 0.000 0.553 373 V N 1.139 120.617 119.914 -0.727 0.000 2.688 373 V HA -0.107 4.013 4.120 -0.001 0.000 0.256 373 V C 1.724 177.511 176.094 -0.511 0.000 1.084 373 V CA 1.732 63.364 62.300 -1.112 0.000 1.103 373 V CB -0.314 30.925 31.823 -0.973 0.000 0.688 373 V HN 0.347 nan 8.190 nan 0.000 0.480 374 N N -1.325 117.140 118.700 -0.392 0.000 2.322 374 N HA 0.135 4.875 4.740 -0.001 0.000 0.194 374 N C -0.198 174.865 175.510 -0.745 0.000 1.126 374 N CA 0.292 53.042 53.050 -0.500 0.000 0.845 374 N CB 0.306 38.458 38.487 -0.558 0.000 0.976 374 N HN 0.617 nan 8.380 nan 0.000 0.475 375 Y N -0.681 119.555 120.300 -0.107 0.000 3.320 375 Y HA 0.283 4.833 4.550 -0.001 0.000 0.276 375 Y C 0.450 176.327 175.900 -0.038 0.000 2.015 375 Y CA -1.194 56.875 58.100 -0.052 0.000 0.982 375 Y CB 0.216 38.655 38.460 -0.035 0.000 1.555 375 Y HN -0.234 nan 8.280 nan 0.000 0.545 376 N N 0.567 119.388 118.700 0.201 0.000 2.434 376 N HA 0.209 4.948 4.740 -0.001 0.000 0.272 376 N C -0.155 175.458 175.510 0.173 0.000 1.040 376 N CA 0.149 53.284 53.050 0.142 0.000 0.956 376 N CB 1.517 40.070 38.487 0.110 0.000 1.108 376 N HN 0.869 nan 8.380 nan 0.000 0.481 377 G N 1.753 110.688 108.800 0.224 0.000 3.820 377 G HA2 0.054 4.014 3.960 -0.001 0.000 0.293 377 G HA3 0.054 4.014 3.960 -0.001 0.000 0.293 377 G C 0.694 175.834 174.900 0.400 0.000 1.152 377 G CA -0.292 45.036 45.100 0.381 0.000 0.921 377 G HN 0.555 nan 8.290 nan 0.000 0.544 378 S N -0.005 115.862 115.700 0.278 0.000 2.436 378 S HA 0.081 4.551 4.470 -0.001 0.000 0.228 378 S C 1.376 176.058 174.600 0.136 0.000 1.014 378 S CA 1.025 59.354 58.200 0.216 0.000 0.950 378 S CB 0.181 63.449 63.200 0.113 0.000 0.784 378 S HN 0.714 nan 8.310 nan 0.000 0.504 379 T N -0.944 113.687 114.554 0.128 0.000 2.816 379 T HA 0.700 5.049 4.350 -0.001 0.000 0.299 379 T C -1.698 173.042 174.700 0.067 0.000 1.230 379 T CA -0.822 61.200 62.100 -0.130 0.000 1.007 379 T CB 1.832 70.619 68.868 -0.135 0.000 1.289 379 T HN -0.039 nan 8.240 nan 0.000 0.508 380 L N 1.072 122.238 121.223 -0.096 0.000 2.676 380 L HA 0.618 4.958 4.340 -0.001 0.000 0.262 380 L C 0.575 177.341 176.870 -0.174 0.000 0.965 380 L CA 1.487 56.319 54.840 -0.013 0.000 0.920 380 L CB 0.868 43.026 42.059 0.163 0.000 1.260 380 L HN 1.643 nan 8.230 nan 0.000 0.422 381 G N 5.569 114.293 108.800 -0.126 0.000 2.583 381 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.292 381 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.292 381 G C -1.735 173.068 174.900 -0.162 0.000 1.203 381 G CA 0.246 45.268 45.100 -0.130 0.000 0.987 381 G HN 0.612 nan 8.290 nan 0.000 0.554 382 P HA 0.273 nan 4.420 nan 0.000 0.255 382 P C 0.811 177.918 177.300 -0.321 0.000 1.248 382 P CA 0.209 63.181 63.100 -0.214 0.000 0.807 382 P CB 0.056 31.644 31.700 -0.186 0.000 1.150 383 L N 0.513 121.489 121.223 -0.411 0.000 2.417 383 L HA 0.257 4.596 4.340 -0.001 0.000 0.268 383 L C 0.630 177.046 176.870 -0.756 0.000 1.158 383 L CA -0.088 54.415 54.840 -0.562 0.000 0.819 383 L CB 0.385 42.081 42.059 -0.606 0.000 1.112 383 L HN -0.122 nan 8.230 nan 0.000 0.458 384 E N 1.842 121.609 120.200 -0.722 0.000 2.210 384 E HA 0.521 4.871 4.350 -0.001 0.000 0.266 384 E C -1.369 174.867 176.600 -0.606 0.000 0.883 384 E CA -0.543 55.491 56.400 -0.610 0.000 0.761 384 E CB 1.998 31.532 29.700 -0.276 0.000 1.156 384 E HN 0.198 nan 8.360 nan 0.000 0.412 385 F N 0.408 120.347 119.950 -0.019 0.000 2.585 385 F HA 0.284 4.811 4.527 -0.001 0.000 0.350 385 F C 0.882 176.706 175.800 0.041 0.000 1.074 385 F CA -1.130 56.864 58.000 -0.010 0.000 1.032 385 F CB 0.707 39.597 39.000 -0.184 0.000 1.330 385 F HN 0.208 nan 8.300 nan 0.000 0.495 386 E N 1.766 122.159 120.200 0.322 0.000 1.802 386 E HA 0.387 4.737 4.350 -0.001 0.000 0.265 386 E C 0.565 177.299 176.600 0.223 0.000 1.168 386 E CA 0.215 56.754 56.400 0.232 0.000 1.033 386 E CB -0.247 29.588 29.700 0.226 0.000 1.095 386 E HN 0.779 nan 8.360 nan 0.000 0.436 387 G N 3.078 111.988 108.800 0.184 0.000 2.760 387 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.246 387 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.246 387 G C -0.376 174.657 174.900 0.222 0.000 1.359 387 G CA -0.515 44.695 45.100 0.184 0.000 0.861 387 G HN 0.486 nan 8.290 nan 0.000 0.541 388 D N 0.814 121.349 120.400 0.224 0.000 2.455 388 D HA 0.344 4.984 4.640 -0.001 0.000 0.234 388 D C 2.172 178.682 176.300 0.350 0.000 1.224 388 D CA 0.860 55.014 54.000 0.256 0.000 0.999 388 D CB -0.066 40.858 40.800 0.205 0.000 1.072 388 D HN 0.773 nan 8.370 nan 0.000 0.514 389 T N 0.597 115.387 114.554 0.394 0.000 2.833 389 T HA -0.156 4.193 4.350 -0.001 0.000 0.269 389 T C 1.836 176.994 174.700 0.763 0.000 1.054 389 T CA 0.986 63.425 62.100 0.565 0.000 1.135 389 T CB -0.083 68.922 68.868 0.227 0.000 0.869 389 T HN 0.245 nan 8.240 nan 0.000 0.466 390 A N 1.530 124.688 122.820 0.564 0.000 1.855 390 A HA -0.092 4.227 4.320 -0.001 0.000 0.215 390 A C 2.241 179.964 177.584 0.232 0.000 1.191 390 A CA 1.968 54.123 52.037 0.196 0.000 0.613 390 A CB -1.318 17.581 19.000 -0.167 0.000 0.829 390 A HN 0.718 nan 8.150 nan 0.000 0.442 391 H N -0.208 118.940 119.070 0.130 0.000 2.387 391 H HA -0.112 4.444 4.556 -0.001 0.000 0.299 391 H C 2.119 177.493 175.328 0.075 0.000 1.090 391 H CA 2.176 58.263 56.048 0.065 0.000 1.332 391 H CB -0.212 29.580 29.762 0.051 0.000 1.386 391 H HN 0.606 nan 8.280 nan 0.000 0.516 392 Q N -1.013 118.865 119.800 0.130 0.000 2.061 392 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 392 Q C 2.061 178.024 176.000 -0.060 0.000 0.984 392 Q CA 1.951 57.787 55.803 0.055 0.000 0.846 392 Q CB -0.417 28.494 28.738 0.289 0.000 0.902 392 Q HN 0.667 nan 8.270 nan 0.000 0.421 393 Y N 1.210 121.475 120.300 -0.058 0.000 2.145 393 Y HA -0.230 4.319 4.550 -0.001 0.000 0.286 393 Y C 2.191 178.027 175.900 -0.107 0.000 1.145 393 Y CA 1.529 59.535 58.100 -0.157 0.000 1.148 393 Y CB 0.026 38.499 38.460 0.022 0.000 0.981 393 Y HN -0.079 nan 8.280 nan 0.000 0.507 394 R N -0.022 120.292 120.500 -0.310 0.000 2.091 394 R HA -0.198 4.142 4.340 -0.001 0.000 0.238 394 R C 2.529 178.529 176.300 -0.501 0.000 1.136 394 R CA 1.848 57.711 56.100 -0.395 0.000 0.959 394 R CB -0.384 29.797 30.300 -0.199 0.000 0.856 394 R HN 0.395 nan 8.270 nan 0.000 0.437 395 R N 0.497 120.702 120.500 -0.493 0.000 2.080 395 R HA -0.082 4.258 4.340 -0.001 0.000 0.222 395 R C 0.933 177.044 176.300 -0.316 0.000 1.107 395 R CA 1.536 57.363 56.100 -0.456 0.000 0.980 395 R CB 0.191 30.160 30.300 -0.552 0.000 0.879 395 R HN 0.097 nan 8.270 nan 0.000 0.439 396 D N -0.643 119.595 120.400 -0.270 0.000 2.327 396 D HA 0.003 4.642 4.640 -0.001 0.000 0.205 396 D C 1.503 177.715 176.300 -0.145 0.000 0.989 396 D CA 0.622 54.517 54.000 -0.175 0.000 0.873 396 D CB 0.731 41.449 40.800 -0.137 0.000 0.955 396 D HN 0.107 nan 8.370 nan 0.000 0.515 397 V N -0.031 119.742 119.914 -0.235 0.000 3.054 397 V HA 0.009 4.129 4.120 -0.001 0.000 0.227 397 V C 1.746 177.773 176.094 -0.111 0.000 1.252 397 V CA -0.118 62.086 62.300 -0.161 0.000 1.279 397 V CB -0.157 31.568 31.823 -0.164 0.000 1.118 397 V HN -0.037 nan 8.190 nan 0.000 0.504 398 F N 2.421 121.982 119.950 -0.647 0.000 2.025 398 F HA -0.201 4.326 4.527 -0.001 0.000 0.297 398 F C 2.622 178.314 175.800 -0.180 0.000 1.132 398 F CA 2.624 60.335 58.000 -0.481 0.000 1.191 398 F CB -0.659 37.852 39.000 -0.815 0.000 0.963 398 F HN 0.095 nan 8.300 nan 0.000 0.481 399 R N 0.758 121.091 120.500 -0.278 0.000 2.097 399 R HA -0.149 4.190 4.340 -0.001 0.000 0.236 399 R C -0.792 175.509 176.300 0.002 0.000 1.135 399 R CA 2.292 58.160 56.100 -0.387 0.000 0.934 399 R CB -1.935 27.997 30.300 -0.614 0.000 0.846 399 R HN 0.201 nan 8.270 nan 0.000 0.431 400 P HA -0.109 nan 4.420 nan 0.000 0.216 400 P C 1.071 178.486 177.300 0.192 0.000 1.150 400 P CA 1.202 64.349 63.100 0.078 0.000 0.837 400 P CB -0.240 31.484 31.700 0.039 0.000 0.786 401 F N -1.196 118.853 119.950 0.165 0.000 2.134 401 F HA -0.201 4.325 4.527 -0.001 0.000 0.299 401 F C 1.949 178.018 175.800 0.448 0.000 1.097 401 F CA 1.365 59.535 58.000 0.284 0.000 1.264 401 F CB -0.462 38.744 39.000 0.343 0.000 1.001 401 F HN -0.228 nan 8.300 nan 0.000 0.479 402 F N 1.067 121.193 119.950 0.295 0.000 2.146 402 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 402 F C 2.233 178.153 175.800 0.201 0.000 1.096 402 F CA 1.500 59.661 58.000 0.269 0.000 1.275 402 F CB -0.978 38.270 39.000 0.414 0.000 1.008 402 F HN -0.041 nan 8.300 nan 0.000 0.480 403 D N -0.198 120.399 120.400 0.329 0.000 2.178 403 D HA -0.189 4.451 4.640 -0.001 0.000 0.201 403 D C 2.177 178.454 176.300 -0.039 0.000 0.980 403 D CA 1.092 55.191 54.000 0.165 0.000 0.842 403 D CB -0.381 40.489 40.800 0.117 0.000 0.948 403 D HN 0.394 nan 8.370 nan 0.000 0.472 404 E N -0.589 119.507 120.200 -0.173 0.000 2.085 404 E HA -0.222 4.127 4.350 -0.001 0.000 0.194 404 E C 1.318 177.577 176.600 -0.570 0.000 0.994 404 E CA 1.154 57.282 56.400 -0.453 0.000 0.801 404 E CB -0.055 29.195 29.700 -0.749 0.000 0.743 404 E HN 0.435 nan 8.360 nan 0.000 0.453 405 Y N -0.815 119.366 120.300 -0.198 0.000 2.497 405 Y HA 0.170 4.720 4.550 -0.001 0.000 0.265 405 Y C 1.748 177.546 175.900 -0.170 0.000 1.111 405 Y CA 0.085 58.058 58.100 -0.212 0.000 1.288 405 Y CB 0.490 38.759 38.460 -0.320 0.000 1.082 405 Y HN 0.009 nan 8.280 nan 0.000 0.536 406 L N -0.676 120.536 121.223 -0.019 0.000 2.609 406 L HA 0.174 4.513 4.340 -0.001 0.000 0.230 406 L C 0.167 176.976 176.870 -0.101 0.000 1.087 406 L CA 0.473 55.282 54.840 -0.051 0.000 0.874 406 L CB 0.332 42.393 42.059 0.004 0.000 1.114 406 L HN -0.143 nan 8.230 nan 0.000 0.488 407 K N 1.129 121.476 120.400 -0.089 0.000 2.562 407 K HA 0.319 4.639 4.320 -0.001 0.000 0.206 407 K C -2.469 174.075 176.600 -0.093 0.000 1.033 407 K CA -1.804 54.421 56.287 -0.105 0.000 1.029 407 K CB 1.223 33.668 32.500 -0.091 0.000 1.393 407 K HN -0.220 nan 8.250 nan 0.000 0.539 408 P HA -0.147 nan 4.420 nan 0.000 0.263 408 P C 0.833 178.089 177.300 -0.073 0.000 1.168 408 P CA 1.343 64.395 63.100 -0.081 0.000 0.759 408 P CB 0.541 32.200 31.700 -0.068 0.000 0.782 409 G N 1.458 110.214 108.800 -0.074 0.000 2.195 409 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.246 409 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.246 409 G C 0.424 175.285 174.900 -0.064 0.000 0.984 409 G CA 0.022 45.085 45.100 -0.061 0.000 0.633 409 G HN 0.595 nan 8.290 nan 0.000 0.525 410 S N 0.844 116.496 115.700 -0.080 0.000 2.585 410 S HA 0.629 5.099 4.470 -0.001 0.000 0.273 410 S C 0.935 175.482 174.600 -0.089 0.000 1.339 410 S CA 0.189 58.344 58.200 -0.076 0.000 1.028 410 S CB 1.360 64.513 63.200 -0.078 0.000 0.906 410 S HN 1.596 nan 8.310 nan 0.000 0.528 411 A N 2.718 125.498 122.820 -0.067 0.000 2.498 411 A HA 0.365 4.685 4.320 -0.001 0.000 0.239 411 A C 0.625 178.150 177.584 -0.099 0.000 1.068 411 A CA -0.177 51.823 52.037 -0.061 0.000 0.766 411 A CB -0.013 18.967 19.000 -0.034 0.000 1.003 411 A HN 0.680 nan 8.150 nan 0.000 0.497 412 S N -0.555 115.081 115.700 -0.106 0.000 2.617 412 S HA 0.507 4.977 4.470 -0.001 0.000 0.269 412 S C 0.160 174.662 174.600 -0.164 0.000 1.292 412 S CA -0.047 58.037 58.200 -0.193 0.000 1.010 412 S CB 1.123 64.199 63.200 -0.207 0.000 0.944 412 S HN 1.409 nan 8.310 nan 0.000 0.536 413 V N 0.466 120.247 119.914 -0.222 0.000 2.823 413 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 413 V C -1.005 174.947 176.094 -0.236 0.000 1.072 413 V CA -0.721 61.529 62.300 -0.084 0.000 0.937 413 V CB 1.728 33.607 31.823 0.093 0.000 1.013 413 V HN 0.918 nan 8.190 nan 0.000 0.430 414 H N 4.578 123.731 119.070 0.138 0.000 2.530 414 H HA 0.477 5.033 4.556 -0.001 0.000 0.246 414 H C -0.558 174.869 175.328 0.164 0.000 1.346 414 H CA -0.302 55.836 56.048 0.150 0.000 1.424 414 H CB 1.274 31.099 29.762 0.104 0.000 1.445 414 H HN 0.578 nan 8.280 nan 0.000 0.511 415 L N 4.021 125.396 121.223 0.253 0.000 2.417 415 L HA 0.206 4.546 4.340 -0.001 0.000 0.268 415 L C -1.399 175.596 176.870 0.209 0.000 1.158 415 L CA -1.547 53.416 54.840 0.205 0.000 0.819 415 L CB 0.330 42.449 42.059 0.100 0.000 1.112 415 L HN 0.317 nan 8.230 nan 0.000 0.458 416 P HA 0.158 nan 4.420 nan 0.000 0.293 416 P C -0.156 177.264 177.300 0.200 0.000 1.304 416 P CA -0.462 62.760 63.100 0.203 0.000 0.767 416 P CB 0.872 32.699 31.700 0.213 0.000 1.247 417 D N -0.855 119.702 120.400 0.262 0.000 2.104 417 D HA 0.018 4.658 4.640 -0.001 0.000 0.194 417 D C 0.554 177.005 176.300 0.250 0.000 0.994 417 D CA 1.604 55.833 54.000 0.382 0.000 0.830 417 D CB -0.273 40.829 40.800 0.503 0.000 0.959 417 D HN 0.524 nan 8.370 nan 0.000 0.452 418 A N -0.623 122.231 122.820 0.058 0.000 2.520 418 A HA 0.641 4.960 4.320 -0.001 0.000 0.298 418 A C -1.263 176.130 177.584 -0.318 0.000 1.051 418 A CA -0.592 51.271 52.037 -0.288 0.000 0.690 418 A CB 1.287 19.916 19.000 -0.618 0.000 1.281 418 A HN 0.036 nan 8.150 nan 0.000 0.402 419 I N 2.724 123.030 120.570 -0.440 0.000 2.411 419 I HA 0.449 4.618 4.170 -0.001 0.000 0.284 419 I C -0.990 174.929 176.117 -0.330 0.000 1.012 419 I CA -0.092 60.889 61.300 -0.531 0.000 1.119 419 I CB 1.212 38.790 38.000 -0.703 0.000 1.261 419 I HN 0.472 nan 8.210 nan 0.000 0.448 420 I N 5.845 126.259 120.570 -0.261 0.000 2.499 420 I HA 0.273 4.442 4.170 -0.001 0.000 0.288 420 I C -0.773 175.212 176.117 -0.219 0.000 1.048 420 I CA -0.934 60.218 61.300 -0.247 0.000 1.062 420 I CB 2.081 39.830 38.000 -0.419 0.000 1.238 420 I HN 0.410 nan 8.210 nan 0.000 0.426 421 Y N 6.207 126.134 120.300 -0.621 0.000 2.425 421 Y HA 0.118 4.668 4.550 -0.001 0.000 0.331 421 Y C 0.491 176.035 175.900 -0.594 0.000 1.157 421 Y CA 0.263 57.775 58.100 -0.980 0.000 1.372 421 Y CB 0.597 38.133 38.460 -1.539 0.000 1.253 421 Y HN 0.511 nan 8.280 nan 0.000 0.536 422 N N 3.737 121.859 118.700 -0.963 0.000 2.462 422 N HA 0.014 4.753 4.740 -0.001 0.000 0.242 422 N C 0.455 175.670 175.510 -0.491 0.000 1.010 422 N CA 0.314 53.026 53.050 -0.562 0.000 0.939 422 N CB 1.097 39.315 38.487 -0.448 0.000 1.127 422 N HN 0.886 nan 8.380 nan 0.000 0.509 423 T N -0.153 114.315 114.554 -0.144 0.000 3.163 423 T HA 0.052 4.402 4.350 -0.001 0.000 0.260 423 T C 1.369 176.104 174.700 0.058 0.000 1.156 423 T CA 0.692 62.875 62.100 0.140 0.000 1.072 423 T CB 0.164 69.183 68.868 0.252 0.000 0.937 423 T HN 0.431 nan 8.240 nan 0.000 0.528 424 G N 0.977 109.612 108.800 -0.275 0.000 2.763 424 G HA2 0.090 4.049 3.960 -0.001 0.000 0.205 424 G HA3 0.090 4.049 3.960 -0.001 0.000 0.205 424 G C 1.093 175.833 174.900 -0.266 0.000 1.137 424 G CA 0.024 44.848 45.100 -0.460 0.000 0.839 424 G HN 0.382 nan 8.290 nan 0.000 0.596 425 D N 0.711 120.952 120.400 -0.265 0.000 2.347 425 D HA 0.064 4.703 4.640 -0.001 0.000 0.215 425 D C 0.499 176.676 176.300 -0.206 0.000 0.976 425 D CA 0.368 54.244 54.000 -0.207 0.000 0.884 425 D CB 0.127 40.805 40.800 -0.203 0.000 0.915 425 D HN 0.117 nan 8.370 nan 0.000 0.526 426 Q N -0.440 119.194 119.800 -0.278 0.000 2.459 426 Q HA -0.213 4.127 4.340 -0.001 0.000 0.314 426 Q C -0.430 175.343 176.000 -0.378 0.000 1.432 426 Q CA 0.851 56.517 55.803 -0.228 0.000 0.823 426 Q CB -1.989 26.770 28.738 0.035 0.000 1.124 426 Q HN 0.588 nan 8.270 nan 0.000 0.392 427 K N -2.563 117.333 120.400 -0.840 0.000 2.615 427 K HA 0.624 4.944 4.320 -0.001 0.000 0.291 427 K C -1.292 174.836 176.600 -0.787 0.000 1.017 427 K CA -1.037 54.912 56.287 -0.563 0.000 0.882 427 K CB 0.734 33.098 32.500 -0.227 0.000 1.522 427 K HN -0.022 nan 8.250 nan 0.000 0.412 428 W N 1.438 122.590 121.300 -0.246 0.000 2.315 428 W HA 0.317 4.976 4.660 -0.001 0.000 0.316 428 W C -0.579 175.828 176.519 -0.188 0.000 1.211 428 W CA 0.237 57.471 57.345 -0.185 0.000 1.201 428 W CB 1.086 30.554 29.460 0.013 0.000 1.184 428 W HN 0.381 nan 8.180 nan 0.000 0.544 429 D N 2.230 122.578 120.400 -0.087 0.000 2.308 429 D HA 0.190 4.830 4.640 -0.001 0.000 0.242 429 D C -1.297 174.726 176.300 -0.462 0.000 1.059 429 D CA -0.649 53.145 54.000 -0.342 0.000 0.830 429 D CB 1.109 41.477 40.800 -0.721 0.000 1.161 429 D HN 0.234 nan 8.370 nan 0.000 0.494 430 Y N 1.598 121.643 120.300 -0.425 0.000 2.385 430 Y HA 0.254 4.803 4.550 -0.001 0.000 0.341 430 Y C -0.319 175.416 175.900 -0.276 0.000 0.965 430 Y CA -0.722 57.215 58.100 -0.270 0.000 1.180 430 Y CB 0.727 39.115 38.460 -0.121 0.000 1.139 430 Y HN 0.283 nan 8.280 nan 0.000 0.502 431 Y N 3.574 123.912 120.300 0.063 0.000 2.417 431 Y HA 0.268 4.818 4.550 -0.001 0.000 0.336 431 Y C 1.447 177.447 175.900 0.166 0.000 0.961 431 Y CA -0.787 57.386 58.100 0.122 0.000 1.215 431 Y CB 1.046 39.589 38.460 0.138 0.000 1.120 431 Y HN 0.630 nan 8.280 nan 0.000 0.499 432 R N 1.280 121.969 120.500 0.316 0.000 2.096 432 R HA -0.112 4.228 4.340 -0.001 0.000 0.240 432 R C -0.187 176.271 176.300 0.263 0.000 1.139 432 R CA 1.462 57.709 56.100 0.246 0.000 0.952 432 R CB 0.081 30.495 30.300 0.190 0.000 0.854 432 R HN 0.480 nan 8.270 nan 0.000 0.436 433 S N -1.327 114.540 115.700 0.279 0.000 2.502 433 S HA 0.415 4.884 4.470 -0.001 0.000 0.304 433 S C -1.755 173.044 174.600 0.332 0.000 1.097 433 S CA -0.622 57.729 58.200 0.252 0.000 1.045 433 S CB 1.913 65.201 63.200 0.146 0.000 1.019 433 S HN 0.385 nan 8.310 nan 0.000 0.481 434 W N 4.266 125.648 121.300 0.137 0.000 3.372 434 W HA 0.524 5.183 4.660 -0.001 0.000 0.315 434 W C -3.036 173.582 176.519 0.165 0.000 1.223 434 W CA -1.525 55.862 57.345 0.071 0.000 1.202 434 W CB 1.109 30.605 29.460 0.061 0.000 1.367 434 W HN 0.405 nan 8.180 nan 0.000 0.531 435 P HA 0.216 nan 4.420 nan 0.000 0.276 435 P C 0.297 177.270 177.300 -0.544 0.000 1.252 435 P CA -0.095 62.190 63.100 -1.357 0.000 0.802 435 P CB 1.435 32.307 31.700 -1.379 0.000 1.035 436 S N -0.964 114.465 115.700 -0.451 0.000 2.524 436 S HA 0.184 4.653 4.470 -0.001 0.000 0.216 436 S C 0.600 175.082 174.600 -0.196 0.000 0.987 436 S CA 0.070 58.138 58.200 -0.221 0.000 0.909 436 S CB -0.702 62.410 63.200 -0.147 0.000 0.781 436 S HN 0.401 nan 8.310 nan 0.000 0.521 437 V N -0.448 119.311 119.914 -0.257 0.000 2.709 437 V HA 0.914 5.034 4.120 -0.001 0.000 0.308 437 V C -0.333 175.634 176.094 -0.212 0.000 1.062 437 V CA -0.830 61.358 62.300 -0.186 0.000 0.901 437 V CB 0.493 32.231 31.823 -0.141 0.000 1.003 437 V HN 0.870 nan 8.190 nan 0.000 0.425 438 C N 1.574 120.785 119.300 -0.147 0.000 3.253 438 C HA 0.563 5.022 4.460 -0.001 0.000 0.362 438 C C 1.024 175.972 174.990 -0.071 0.000 1.487 438 C CA 0.028 58.968 59.018 -0.130 0.000 1.179 438 C CB 1.152 28.797 27.740 -0.157 0.000 1.660 438 C HN 0.976 nan 8.230 nan 0.000 0.438 439 E N 1.181 121.356 120.200 -0.042 0.000 2.106 439 E HA 0.034 4.384 4.350 -0.001 0.000 0.192 439 E C 0.705 177.300 176.600 -0.009 0.000 0.984 439 E CA 1.871 58.270 56.400 -0.002 0.000 0.806 439 E CB 0.072 29.800 29.700 0.047 0.000 0.750 439 E HN 0.868 nan 8.360 nan 0.000 0.458 440 S N -1.067 114.620 115.700 -0.022 0.000 2.537 440 S HA 0.318 4.787 4.470 -0.001 0.000 0.270 440 S C -0.542 174.036 174.600 -0.036 0.000 1.142 440 S CA -0.821 57.366 58.200 -0.021 0.000 0.870 440 S CB 1.361 64.556 63.200 -0.008 0.000 1.112 440 S HN 0.320 nan 8.310 nan 0.000 0.466 441 N N -0.472 118.208 118.700 -0.033 0.000 2.783 441 N HA -0.143 4.597 4.740 -0.001 0.000 0.247 441 N C -0.768 174.710 175.510 -0.054 0.000 1.089 441 N CA 0.604 53.630 53.050 -0.039 0.000 0.690 441 N CB -1.737 36.728 38.487 -0.037 0.000 0.991 441 N HN 0.699 nan 8.380 nan 0.000 0.552 442 C N -1.449 117.817 119.300 -0.057 0.000 3.044 442 C HA 0.359 4.818 4.460 -0.001 0.000 0.315 442 C C 2.127 177.084 174.990 -0.055 0.000 1.320 442 C CA -0.447 58.528 59.018 -0.071 0.000 1.582 442 C CB 1.690 29.366 27.740 -0.106 0.000 2.039 442 C HN 0.454 nan 8.230 nan 0.000 0.466 443 T N 0.701 115.221 114.554 -0.056 0.000 2.929 443 T HA 0.177 4.527 4.350 -0.001 0.000 0.271 443 T C 0.672 175.347 174.700 -0.042 0.000 1.085 443 T CA 1.493 63.569 62.100 -0.040 0.000 1.125 443 T CB -0.147 68.700 68.868 -0.035 0.000 0.874 443 T HN 0.987 nan 8.240 nan 0.000 0.494 444 G N -1.048 107.718 108.800 -0.057 0.000 2.663 444 G HA2 0.606 4.565 3.960 -0.001 0.000 0.299 444 G HA3 0.606 4.565 3.960 -0.001 0.000 0.299 444 G C -0.959 173.907 174.900 -0.057 0.000 1.372 444 G CA -0.282 44.788 45.100 -0.050 0.000 0.781 444 G HN 0.309 nan 8.290 nan 0.000 0.491 445 G N -1.332 107.441 108.800 -0.045 0.000 2.685 445 G HA2 0.597 4.556 3.960 -0.001 0.000 0.298 445 G HA3 0.597 4.556 3.960 -0.001 0.000 0.298 445 G C -1.059 173.818 174.900 -0.039 0.000 1.277 445 G CA -0.732 44.344 45.100 -0.040 0.000 0.986 445 G HN 0.493 nan 8.290 nan 0.000 0.487 446 L N 0.319 121.522 121.223 -0.034 0.000 2.439 446 L HA 0.360 4.699 4.340 -0.001 0.000 0.269 446 L C 0.921 177.784 176.870 -0.011 0.000 1.179 446 L CA 0.173 54.995 54.840 -0.030 0.000 0.828 446 L CB 1.098 43.136 42.059 -0.036 0.000 1.106 446 L HN 0.363 nan 8.230 nan 0.000 0.467 447 T N 4.187 118.743 114.554 0.003 0.000 2.821 447 T HA 0.371 4.721 4.350 -0.001 0.000 0.307 447 T C -2.448 172.279 174.700 0.045 0.000 1.034 447 T CA -1.217 60.909 62.100 0.043 0.000 0.953 447 T CB 1.113 70.010 68.868 0.047 0.000 0.968 447 T HN 0.300 nan 8.240 nan 0.000 0.462 448 P HA 0.190 nan 4.420 nan 0.000 0.271 448 P C -0.706 176.354 177.300 -0.400 0.000 1.226 448 P CA -0.671 62.225 63.100 -0.340 0.000 0.765 448 P CB 0.430 31.721 31.700 -0.682 0.000 0.835 449 L N 6.166 127.122 121.223 -0.446 0.000 2.283 449 L HA 0.371 4.710 4.340 -0.001 0.000 0.281 449 L C -1.111 175.477 176.870 -0.471 0.000 1.033 449 L CA -0.803 53.698 54.840 -0.565 0.000 0.848 449 L CB -0.561 41.153 42.059 -0.574 0.000 1.226 449 L HN 0.204 nan 8.230 nan 0.000 0.429 450 Y N 4.435 124.573 120.300 -0.269 0.000 2.319 450 Y HA 0.330 4.879 4.550 -0.001 0.000 0.328 450 Y C 0.252 175.990 175.900 -0.269 0.000 1.133 450 Y CA -0.431 57.524 58.100 -0.243 0.000 1.265 450 Y CB 0.635 38.957 38.460 -0.230 0.000 1.218 450 Y HN 0.374 nan 8.280 nan 0.000 0.508 451 L N 2.860 123.997 121.223 -0.142 0.000 2.439 451 L HA 0.475 4.815 4.340 -0.001 0.000 0.269 451 L C 0.358 177.095 176.870 -0.221 0.000 1.179 451 L CA 0.212 54.853 54.840 -0.331 0.000 0.828 451 L CB 0.135 41.821 42.059 -0.621 0.000 1.106 451 L HN 0.851 nan 8.230 nan 0.000 0.467 452 A N 1.757 124.409 122.820 -0.280 0.000 2.583 452 A HA 0.455 4.774 4.320 -0.001 0.000 0.289 452 A C -0.820 176.456 177.584 -0.514 0.000 1.151 452 A CA -0.743 51.096 52.037 -0.329 0.000 0.695 452 A CB 0.664 19.583 19.000 -0.134 0.000 1.290 452 A HN 0.611 nan 8.150 nan 0.000 0.419 453 D N -0.416 119.761 120.400 -0.372 0.000 2.390 453 D HA 0.348 4.987 4.640 -0.001 0.000 0.236 453 D C 1.287 177.506 176.300 -0.134 0.000 1.189 453 D CA 2.099 55.961 54.000 -0.229 0.000 0.887 453 D CB 0.524 41.299 40.800 -0.042 0.000 1.198 453 D HN 1.500 nan 8.370 nan 0.000 0.444 454 G N 1.902 110.648 108.800 -0.089 0.000 2.198 454 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.260 454 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.260 454 G C 0.317 175.251 174.900 0.056 0.000 1.025 454 G CA 0.900 46.004 45.100 0.007 0.000 0.769 454 G HN 0.852 nan 8.290 nan 0.000 0.507 455 H N -2.181 116.818 119.070 -0.118 0.000 2.713 455 H HA -0.074 4.482 4.556 -0.001 0.000 0.311 455 H C 1.438 176.753 175.328 -0.021 0.000 1.175 455 H CA 1.961 57.887 56.048 -0.204 0.000 1.143 455 H CB -1.294 28.268 29.762 -0.334 0.000 1.434 455 H HN 1.318 nan 8.280 nan 0.000 0.418 456 G N -0.555 108.303 108.800 0.097 0.000 2.552 456 G HA2 0.695 4.654 3.960 -0.001 0.000 0.324 456 G HA3 0.695 4.654 3.960 -0.001 0.000 0.324 456 G C -0.667 174.264 174.900 0.052 0.000 1.217 456 G CA -0.939 44.199 45.100 0.062 0.000 0.989 456 G HN 0.167 nan 8.290 nan 0.000 0.490 457 L N 0.214 121.424 121.223 -0.021 0.000 2.408 457 L HA 0.686 5.026 4.340 -0.001 0.000 0.268 457 L C -0.252 176.532 176.870 -0.144 0.000 0.986 457 L CA -0.732 54.041 54.840 -0.112 0.000 0.820 457 L CB 2.358 44.322 42.059 -0.159 0.000 1.303 457 L HN 0.597 nan 8.230 nan 0.000 0.411 458 S N 0.684 116.286 115.700 -0.164 0.000 2.537 458 S HA 0.495 4.964 4.470 -0.001 0.000 0.270 458 S C -0.004 174.543 174.600 -0.089 0.000 1.142 458 S CA -0.497 57.638 58.200 -0.108 0.000 0.870 458 S CB 1.043 64.242 63.200 -0.001 0.000 1.112 458 S HN 0.457 nan 8.310 nan 0.000 0.466 459 F N 1.773 121.776 119.950 0.088 0.000 2.748 459 F HA 0.140 4.667 4.527 -0.001 0.000 0.299 459 F C 1.442 177.377 175.800 0.225 0.000 1.154 459 F CA 0.372 58.445 58.000 0.121 0.000 1.446 459 F CB 0.291 39.322 39.000 0.051 0.000 1.112 459 F HN 0.378 nan 8.300 nan 0.000 0.584 460 T N -0.776 113.956 114.554 0.296 0.000 2.744 460 T HA 0.065 4.414 4.350 -0.001 0.000 0.291 460 T C -0.517 174.190 174.700 0.013 0.000 0.957 460 T CA -0.410 61.795 62.100 0.176 0.000 1.002 460 T CB 0.181 69.108 68.868 0.097 0.000 0.919 460 T HN 0.122 nan 8.240 nan 0.000 0.468 461 H N 4.990 123.884 119.070 -0.294 0.000 3.091 461 H HA 0.179 4.734 4.556 -0.001 0.000 0.289 461 H C -2.162 172.909 175.328 -0.429 0.000 0.995 461 H CA -1.341 54.192 56.048 -0.858 0.000 1.461 461 H CB 0.367 29.733 29.762 -0.661 0.000 1.510 461 H HN 0.281 nan 8.280 nan 0.000 0.546 462 P HA 0.079 nan 4.420 nan 0.000 0.276 462 P C -0.105 177.229 177.300 0.057 0.000 1.253 462 P CA -0.104 62.958 63.100 -0.064 0.000 0.766 462 P CB 1.406 33.059 31.700 -0.078 0.000 0.845 463 A N 3.874 126.707 122.820 0.022 0.000 1.902 463 A HA 0.121 4.440 4.320 -0.001 0.000 0.217 463 A C 1.231 178.812 177.584 -0.005 0.000 1.181 463 A CA 1.375 53.410 52.037 -0.004 0.000 0.623 463 A CB -1.020 17.959 19.000 -0.036 0.000 0.818 463 A HN 0.605 nan 8.150 nan 0.000 0.443 464 A N 0.415 123.231 122.820 -0.007 0.000 2.351 464 A HA 0.450 4.770 4.320 -0.001 0.000 0.257 464 A C -0.305 177.259 177.584 -0.033 0.000 1.087 464 A CA -0.486 51.541 52.037 -0.016 0.000 0.798 464 A CB 0.140 19.133 19.000 -0.013 0.000 1.033 464 A HN 0.459 nan 8.150 nan 0.000 0.488 465 D N -0.192 120.177 120.400 -0.052 0.000 2.354 465 D HA 0.555 5.195 4.640 -0.001 0.000 0.247 465 D C 0.365 176.476 176.300 -0.316 0.000 1.138 465 D CA 1.006 54.930 54.000 -0.127 0.000 0.958 465 D CB 1.639 42.460 40.800 0.035 0.000 1.144 465 D HN 0.825 nan 8.370 nan 0.000 0.458 466 G N -1.401 106.930 108.800 -0.781 0.000 2.451 466 G HA2 0.586 4.546 3.960 -0.001 0.000 0.292 466 G HA3 0.586 4.546 3.960 -0.001 0.000 0.292 466 G C -2.062 172.113 174.900 -1.207 0.000 1.427 466 G CA -0.244 44.350 45.100 -0.844 0.000 0.792 466 G HN 0.609 nan 8.290 nan 0.000 0.498 467 A N 0.235 122.686 122.820 -0.614 0.000 2.577 467 A HA 0.728 5.048 4.320 -0.001 0.000 0.297 467 A C -2.063 175.540 177.584 0.033 0.000 1.060 467 A CA -0.655 51.228 52.037 -0.257 0.000 0.697 467 A CB 1.928 20.871 19.000 -0.095 0.000 1.281 467 A HN 0.499 nan 8.150 nan 0.000 0.402 468 D N 1.302 121.802 120.400 0.166 0.000 2.375 468 D HA 0.648 5.288 4.640 -0.001 0.000 0.247 468 D C -0.383 176.059 176.300 0.237 0.000 1.061 468 D CA 0.058 54.172 54.000 0.190 0.000 0.834 468 D CB 2.131 43.034 40.800 0.171 0.000 1.247 468 D HN 0.385 nan 8.370 nan 0.000 0.489 469 S N 1.011 116.835 115.700 0.207 0.000 2.638 469 S HA 0.750 5.219 4.470 -0.001 0.000 0.298 469 S C -0.759 174.011 174.600 0.283 0.000 1.111 469 S CA -0.801 57.512 58.200 0.188 0.000 1.027 469 S CB 1.220 64.483 63.200 0.106 0.000 1.064 469 S HN 0.493 nan 8.310 nan 0.000 0.525 470 Y N -2.058 118.325 120.300 0.138 0.000 2.552 470 Y HA 0.725 5.275 4.550 -0.001 0.000 0.337 470 Y C -1.487 174.477 175.900 0.106 0.000 1.094 470 Y CA -1.393 56.776 58.100 0.115 0.000 1.028 470 Y CB 0.270 38.804 38.460 0.124 0.000 1.321 470 Y HN 0.326 nan 8.280 nan 0.000 0.456 471 V N 2.616 122.639 119.914 0.182 0.000 2.509 471 V HA 0.501 4.621 4.120 -0.001 0.000 0.284 471 V C -0.183 176.008 176.094 0.162 0.000 1.047 471 V CA -0.355 62.001 62.300 0.093 0.000 0.952 471 V CB 1.465 33.340 31.823 0.087 0.000 0.988 471 V HN 0.818 nan 8.190 nan 0.000 0.469 472 S N 3.114 118.864 115.700 0.084 0.000 2.601 472 S HA 0.295 4.764 4.470 -0.001 0.000 0.312 472 S C -0.830 173.820 174.600 0.083 0.000 1.107 472 S CA -0.682 57.587 58.200 0.115 0.000 1.129 472 S CB 0.427 63.669 63.200 0.070 0.000 0.982 472 S HN 0.826 nan 8.310 nan 0.000 0.469 473 D N 5.262 125.730 120.400 0.113 0.000 2.373 473 D HA 0.421 5.061 4.640 -0.001 0.000 0.227 473 D C -1.790 174.558 176.300 0.079 0.000 1.091 473 D CA -2.231 51.837 54.000 0.113 0.000 0.840 473 D CB 1.905 42.813 40.800 0.180 0.000 1.060 473 D HN 0.223 nan 8.370 nan 0.000 0.502 474 P HA 0.004 nan 4.420 nan 0.000 0.228 474 P C 0.696 177.894 177.300 -0.171 0.000 1.151 474 P CA 0.554 63.639 63.100 -0.026 0.000 0.770 474 P CB 0.303 32.064 31.700 0.102 0.000 0.786 475 A N -1.362 121.368 122.820 -0.149 0.000 2.123 475 A HA -0.063 4.256 4.320 -0.001 0.000 0.214 475 A C 0.472 177.731 177.584 -0.542 0.000 1.152 475 A CA 0.930 52.762 52.037 -0.342 0.000 0.728 475 A CB -0.963 17.848 19.000 -0.315 0.000 0.814 475 A HN 0.266 nan 8.150 nan 0.000 0.464 476 H N -0.281 118.778 119.070 -0.019 0.000 2.439 476 H HA 0.267 4.823 4.556 -0.001 0.000 0.230 476 H C -2.756 172.622 175.328 0.084 0.000 1.420 476 H CA -1.672 54.415 56.048 0.065 0.000 1.305 476 H CB 0.495 30.303 29.762 0.077 0.000 1.667 476 H HN 0.295 nan 8.280 nan 0.000 0.515 477 P HA 0.000 nan 4.420 nan 0.000 0.272 477 P C 0.138 177.633 177.300 0.325 0.000 1.223 477 P CA -0.311 62.846 63.100 0.095 0.000 0.784 477 P CB 1.638 33.201 31.700 -0.229 0.000 0.923 478 V N 3.902 124.002 119.914 0.309 0.000 2.470 478 V HA 0.108 4.228 4.120 -0.001 0.000 0.276 478 V C -1.915 174.446 176.094 0.445 0.000 1.040 478 V CA -1.348 61.146 62.300 0.323 0.000 1.008 478 V CB -0.025 31.951 31.823 0.255 0.000 0.990 478 V HN 0.551 nan 8.190 nan 0.000 0.477 479 P HA 0.068 nan 4.420 nan 0.000 0.268 479 P C 0.508 177.960 177.300 0.253 0.000 1.204 479 P CA -0.202 63.089 63.100 0.319 0.000 0.768 479 P CB 0.325 32.045 31.700 0.034 0.000 0.842 480 F N 4.778 124.736 119.950 0.012 0.000 2.407 480 F HA 0.107 4.633 4.527 -0.001 0.000 0.299 480 F C 0.566 176.230 175.800 -0.227 0.000 1.097 480 F CA 0.363 58.227 58.000 -0.227 0.000 1.422 480 F CB -0.517 37.943 39.000 -0.899 0.000 1.067 480 F HN 0.156 nan 8.300 nan 0.000 0.539 481 I N -3.258 116.752 120.570 -0.934 0.000 3.102 481 I HA 0.474 4.644 4.170 -0.001 0.000 0.310 481 I C -0.308 175.536 176.117 -0.455 0.000 1.246 481 I CA -1.440 59.447 61.300 -0.689 0.000 0.979 481 I CB 1.625 39.076 38.000 -0.915 0.000 1.267 481 I HN -0.288 nan 8.210 nan 0.000 0.451 482 S N 2.042 117.576 115.700 -0.278 0.000 2.558 482 S HA 0.139 4.609 4.470 -0.001 0.000 0.293 482 S C 0.197 174.697 174.600 -0.166 0.000 1.292 482 S CA -0.306 57.784 58.200 -0.182 0.000 1.063 482 S CB -0.029 63.094 63.200 -0.128 0.000 0.831 482 S HN 0.453 nan 8.310 nan 0.000 0.499 483 R N 2.820 123.229 120.500 -0.152 0.000 2.594 483 R HA 0.311 4.650 4.340 -0.001 0.000 0.272 483 R C -1.981 174.278 176.300 -0.067 0.000 1.074 483 R CA -1.168 54.861 56.100 -0.118 0.000 1.105 483 R CB -0.158 30.020 30.300 -0.203 0.000 1.008 483 R HN 0.457 nan 8.270 nan 0.000 0.472 484 P HA 0.301 nan 4.420 nan 0.000 0.282 484 P C -1.349 175.989 177.300 0.063 0.000 1.259 484 P CA -0.365 62.738 63.100 0.004 0.000 0.826 484 P CB 0.850 32.548 31.700 -0.003 0.000 1.064 485 F N 0.492 120.373 119.950 -0.116 0.000 2.596 485 F HA 0.625 5.151 4.527 -0.001 0.000 0.311 485 F C -1.844 173.843 175.800 -0.189 0.000 1.116 485 F CA -0.613 57.285 58.000 -0.169 0.000 0.957 485 F CB 1.695 40.534 39.000 -0.268 0.000 1.250 485 F HN 0.552 nan 8.300 nan 0.000 0.444 486 A N 5.207 127.323 122.820 -1.173 0.000 2.365 486 A HA 0.556 4.876 4.320 -0.001 0.000 0.318 486 A C -0.215 176.481 177.584 -1.481 0.000 1.091 486 A CA -0.633 50.805 52.037 -0.998 0.000 0.763 486 A CB 0.474 19.221 19.000 -0.421 0.000 1.248 486 A HN 0.866 nan 8.150 nan 0.000 0.442 487 F N 1.596 121.025 119.950 -0.869 0.000 2.287 487 F HA -0.211 4.315 4.527 -0.001 0.000 0.301 487 F C 2.545 178.112 175.800 -0.389 0.000 1.069 487 F CA 1.862 59.502 58.000 -0.600 0.000 1.372 487 F CB 0.020 38.764 39.000 -0.427 0.000 1.056 487 F HN 0.654 nan 8.300 nan 0.000 0.523 488 A N -0.646 122.075 122.820 -0.166 0.000 2.067 488 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 488 A C 1.253 178.802 177.584 -0.058 0.000 1.158 488 A CA 0.494 52.481 52.037 -0.084 0.000 0.661 488 A CB -0.580 18.378 19.000 -0.070 0.000 0.801 488 A HN 0.373 nan 8.150 nan 0.000 0.452 489 Q N 0.778 120.511 119.800 -0.111 0.000 2.641 489 Q HA 0.219 4.559 4.340 -0.001 0.000 0.225 489 Q C 0.727 176.841 176.000 0.190 0.000 1.309 489 Q CA -0.270 55.542 55.803 0.016 0.000 0.935 489 Q CB 0.264 29.000 28.738 -0.003 0.000 1.557 489 Q HN 0.514 nan 8.270 nan 0.000 0.563 490 S N 0.434 116.234 115.700 0.167 0.000 2.382 490 S HA -0.196 4.274 4.470 -0.001 0.000 0.228 490 S C 2.020 176.766 174.600 0.243 0.000 1.027 490 S CA 1.531 59.880 58.200 0.249 0.000 0.991 490 S CB -0.034 63.257 63.200 0.152 0.000 0.823 490 S HN 0.762 nan 8.310 nan 0.000 0.469 491 S N 1.825 117.617 115.700 0.154 0.000 2.419 491 S HA -0.046 4.424 4.470 -0.001 0.000 0.233 491 S C 1.674 176.356 174.600 0.136 0.000 1.016 491 S CA 0.687 58.953 58.200 0.110 0.000 0.974 491 S CB -0.263 62.976 63.200 0.065 0.000 0.786 491 S HN 0.468 nan 8.310 nan 0.000 0.492 492 R N -0.954 119.676 120.500 0.215 0.000 2.237 492 R HA 0.177 4.516 4.340 -0.001 0.000 0.195 492 R C 2.043 178.504 176.300 0.267 0.000 0.956 492 R CA 0.508 56.732 56.100 0.206 0.000 1.029 492 R CB -0.238 30.204 30.300 0.236 0.000 0.972 492 R HN 0.661 nan 8.270 nan 0.000 0.493 493 W N 2.719 124.158 121.300 0.231 0.000 2.409 493 W HA -0.106 4.553 4.660 -0.001 0.000 0.299 493 W C 1.072 177.764 176.519 0.289 0.000 1.203 493 W CA 1.099 58.605 57.345 0.268 0.000 1.298 493 W CB 0.075 29.738 29.460 0.338 0.000 1.127 493 W HN -0.075 nan 8.180 nan 0.000 0.528 494 K N 0.085 120.547 120.400 0.103 0.000 2.020 494 K HA -0.182 4.138 4.320 -0.001 0.000 0.212 494 K C -1.119 175.409 176.600 -0.120 0.000 1.050 494 K CA 1.923 58.179 56.287 -0.052 0.000 0.929 494 K CB -1.466 31.071 32.500 0.061 0.000 0.714 494 K HN 0.139 nan 8.250 nan 0.000 0.443 495 P HA -0.019 nan 4.420 nan 0.000 0.262 495 P C 0.258 177.472 177.300 -0.143 0.000 1.651 495 P CA -0.184 62.841 63.100 -0.125 0.000 1.119 495 P CB -0.557 31.092 31.700 -0.085 0.000 1.552 496 W N 0.135 121.266 121.300 -0.281 0.000 2.402 496 W HA -0.060 4.599 4.660 -0.000 0.000 0.286 496 W C 0.525 176.922 176.519 -0.205 0.000 1.221 496 W CA 0.197 57.375 57.345 -0.277 0.000 1.257 496 W CB -1.380 27.883 29.460 -0.328 0.000 1.120 496 W HN -0.152 nan 8.180 nan 0.000 0.551 497 L N 2.065 122.759 121.223 -0.883 0.000 2.456 497 L HA -0.130 4.209 4.340 -0.001 0.000 0.224 497 L C 2.217 178.835 176.870 -0.419 0.000 1.148 497 L CA 0.990 55.340 54.840 -0.816 0.000 0.825 497 L CB -0.462 41.209 42.059 -0.648 0.000 0.937 497 L HN 0.001 nan 8.230 nan 0.000 0.450 498 V N -4.788 114.854 119.914 -0.454 0.000 3.483 498 V HA 0.180 4.300 4.120 -0.001 0.000 0.301 498 V C 0.866 176.911 176.094 -0.083 0.000 1.389 498 V CA -0.437 61.605 62.300 -0.430 0.000 1.101 498 V CB -0.213 31.166 31.823 -0.741 0.000 0.971 498 V HN 0.136 nan 8.190 nan 0.000 0.434 499 Q N 1.832 121.609 119.800 -0.038 0.000 2.373 499 Q HA 0.222 4.561 4.340 -0.001 0.000 0.255 499 Q C -0.227 175.733 176.000 -0.067 0.000 0.980 499 Q CA 0.148 55.961 55.803 0.016 0.000 0.882 499 Q CB 0.865 29.601 28.738 -0.005 0.000 1.249 499 Q HN 0.534 nan 8.270 nan 0.000 0.438 500 D N 1.550 121.746 120.400 -0.340 0.000 2.493 500 D HA -0.079 4.561 4.640 -0.001 0.000 0.240 500 D C 0.248 176.392 176.300 -0.260 0.000 1.142 500 D CA 0.316 53.909 54.000 -0.678 0.000 0.872 500 D CB 0.747 40.986 40.800 -0.936 0.000 1.173 500 D HN 0.202 nan 8.370 nan 0.000 0.467 501 Q N 3.318 123.017 119.800 -0.169 0.000 2.246 501 Q HA 0.095 4.434 4.340 -0.001 0.000 0.202 501 Q C 1.464 177.433 176.000 -0.053 0.000 0.883 501 Q CA -0.022 55.759 55.803 -0.036 0.000 0.952 501 Q CB 0.223 28.988 28.738 0.046 0.000 1.078 501 Q HN 0.507 nan 8.270 nan 0.000 0.493 502 R N 0.746 121.179 120.500 -0.111 0.000 2.120 502 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 502 R C 1.990 178.254 176.300 -0.061 0.000 1.123 502 R CA 1.211 57.260 56.100 -0.085 0.000 0.975 502 R CB 0.109 30.347 30.300 -0.103 0.000 0.866 502 R HN 0.379 nan 8.270 nan 0.000 0.446 503 E N 0.570 120.735 120.200 -0.058 0.000 2.051 503 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 503 E C 1.883 178.473 176.600 -0.017 0.000 0.991 503 E CA 1.309 57.685 56.400 -0.040 0.000 0.799 503 E CB -0.046 29.628 29.700 -0.043 0.000 0.748 503 E HN 0.359 nan 8.360 nan 0.000 0.449 504 A N 1.236 124.060 122.820 0.006 0.000 1.933 504 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 504 A C 2.054 179.631 177.584 -0.011 0.000 1.175 504 A CA 1.683 53.734 52.037 0.024 0.000 0.628 504 A CB -0.627 18.414 19.000 0.068 0.000 0.814 504 A HN 0.492 nan 8.150 nan 0.000 0.444 505 E N 0.602 120.787 120.200 -0.025 0.000 2.160 505 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 505 E C 1.938 178.502 176.600 -0.060 0.000 0.991 505 E CA 1.523 57.894 56.400 -0.048 0.000 0.810 505 E CB -0.132 29.538 29.700 -0.050 0.000 0.742 505 E HN 0.733 nan 8.360 nan 0.000 0.466 506 S N -0.175 115.496 115.700 -0.048 0.000 2.555 506 S HA -0.003 4.467 4.470 -0.001 0.000 0.230 506 S C 0.767 175.343 174.600 -0.040 0.000 0.978 506 S CA -0.083 58.088 58.200 -0.048 0.000 0.934 506 S CB -0.119 63.056 63.200 -0.042 0.000 0.766 506 S HN 0.105 nan 8.310 nan 0.000 0.533 507 R N 1.730 122.211 120.500 -0.032 0.000 2.536 507 R HA 0.368 4.707 4.340 -0.001 0.000 0.279 507 R C -1.920 174.370 176.300 -0.017 0.000 1.001 507 R CA -2.084 54.006 56.100 -0.016 0.000 1.027 507 R CB 0.407 30.710 30.300 0.005 0.000 1.096 507 R HN 0.103 nan 8.270 nan 0.000 0.502 508 P HA -0.032 nan 4.420 nan 0.000 0.249 508 P C -0.470 176.885 177.300 0.091 0.000 1.229 508 P CA 0.713 63.834 63.100 0.035 0.000 0.788 508 P CB 0.268 31.990 31.700 0.037 0.000 1.072 509 D N -0.553 119.896 120.400 0.081 0.000 2.427 509 D HA 0.141 4.780 4.640 -0.001 0.000 0.224 509 D C -0.091 176.174 176.300 -0.058 0.000 1.157 509 D CA -0.793 53.304 54.000 0.163 0.000 0.828 509 D CB -0.177 40.735 40.800 0.186 0.000 0.974 509 D HN -0.061 nan 8.370 nan 0.000 0.498 510 V N 0.474 120.267 119.914 -0.203 0.000 2.733 510 V HA 0.380 4.499 4.120 -0.001 0.000 0.306 510 V C -0.263 175.647 176.094 -0.305 0.000 1.084 510 V CA -1.230 60.862 62.300 -0.346 0.000 0.905 510 V CB 2.283 34.020 31.823 -0.143 0.000 1.010 510 V HN 0.168 nan 8.190 nan 0.000 0.424 511 V N 1.227 120.938 119.914 -0.338 0.000 2.435 511 V HA 0.858 4.977 4.120 -0.001 0.000 0.290 511 V C -0.114 175.948 176.094 -0.053 0.000 1.030 511 V CA -0.172 62.063 62.300 -0.108 0.000 0.881 511 V CB 1.461 33.343 31.823 0.097 0.000 0.983 511 V HN 0.840 nan 8.190 nan 0.000 0.445 512 T N 4.973 119.438 114.554 -0.149 0.000 2.829 512 T HA 0.730 5.080 4.350 -0.001 0.000 0.280 512 T C -1.200 173.380 174.700 -0.200 0.000 0.999 512 T CA -0.131 61.918 62.100 -0.086 0.000 0.983 512 T CB 1.158 69.969 68.868 -0.094 0.000 0.968 512 T HN 0.660 nan 8.240 nan 0.000 0.446 513 Y N 1.341 121.671 120.300 0.050 0.000 2.499 513 Y HA 0.590 5.140 4.550 -0.001 0.000 0.347 513 Y C 0.355 176.249 175.900 -0.009 0.000 0.987 513 Y CA -1.127 56.993 58.100 0.033 0.000 1.044 513 Y CB 1.870 40.319 38.460 -0.017 0.000 1.245 513 Y HN 0.723 nan 8.280 nan 0.000 0.461 514 E N -0.687 119.584 120.200 0.119 0.000 2.390 514 E HA 0.536 4.886 4.350 -0.001 0.000 0.277 514 E C -1.318 175.289 176.600 0.013 0.000 0.939 514 E CA -1.192 55.235 56.400 0.045 0.000 0.769 514 E CB 1.931 31.650 29.700 0.031 0.000 1.251 514 E HN 0.531 nan 8.360 nan 0.000 0.450 515 T N -0.328 114.213 114.554 -0.022 0.000 2.816 515 T HA 0.258 4.607 4.350 -0.001 0.000 0.282 515 T C 0.413 175.118 174.700 0.009 0.000 0.993 515 T CA -0.862 61.221 62.100 -0.029 0.000 0.994 515 T CB 0.972 69.805 68.868 -0.058 0.000 1.025 515 T HN 0.443 nan 8.240 nan 0.000 0.529 516 E N 0.257 120.469 120.200 0.019 0.000 2.410 516 E HA 0.162 4.511 4.350 -0.001 0.000 0.255 516 E C 0.332 176.960 176.600 0.047 0.000 1.194 516 E CA -0.355 56.064 56.400 0.032 0.000 0.955 516 E CB 0.851 30.573 29.700 0.035 0.000 0.988 516 E HN 0.628 nan 8.360 nan 0.000 0.461 517 V N 1.891 121.836 119.914 0.051 0.000 2.655 517 V HA 0.029 4.149 4.120 -0.001 0.000 0.300 517 V C 0.109 176.252 176.094 0.082 0.000 1.044 517 V CA -0.194 62.148 62.300 0.071 0.000 1.095 517 V CB -0.148 31.712 31.823 0.061 0.000 0.952 517 V HN 0.400 nan 8.190 nan 0.000 0.485 518 L N 6.130 127.420 121.223 0.111 0.000 2.410 518 L HA 0.293 4.632 4.340 -0.001 0.000 0.273 518 L C 0.990 177.917 176.870 0.095 0.000 1.152 518 L CA -0.138 54.769 54.840 0.112 0.000 0.855 518 L CB 0.387 42.532 42.059 0.143 0.000 1.129 518 L HN 0.699 nan 8.230 nan 0.000 0.463 519 D N 0.831 121.277 120.400 0.076 0.000 2.301 519 D HA 0.040 4.680 4.640 -0.001 0.000 0.206 519 D C 0.307 176.639 176.300 0.054 0.000 0.979 519 D CA 0.967 55.002 54.000 0.059 0.000 0.874 519 D CB 0.610 41.438 40.800 0.048 0.000 0.968 519 D HN 0.451 nan 8.370 nan 0.000 0.510 520 E N 0.733 120.968 120.200 0.058 0.000 2.292 520 E HA 0.313 4.662 4.350 -0.001 0.000 0.272 520 E C -2.504 174.130 176.600 0.057 0.000 0.881 520 E CA -1.924 54.502 56.400 0.044 0.000 0.754 520 E CB 2.699 32.415 29.700 0.026 0.000 1.201 520 E HN -0.065 nan 8.360 nan 0.000 0.425 521 P HA 0.088 nan 4.420 nan 0.000 0.272 521 P C -0.283 177.058 177.300 0.069 0.000 1.223 521 P CA -0.384 62.748 63.100 0.053 0.000 0.784 521 P CB 0.713 32.416 31.700 0.005 0.000 0.923 522 V N 1.648 121.648 119.914 0.142 0.000 2.487 522 V HA 0.544 4.663 4.120 -0.001 0.000 0.298 522 V C -0.333 175.882 176.094 0.202 0.000 1.028 522 V CA -0.915 61.477 62.300 0.155 0.000 0.860 522 V CB 1.435 33.373 31.823 0.191 0.000 0.991 522 V HN 0.369 nan 8.190 nan 0.000 0.427 523 R N 4.141 124.703 120.500 0.103 0.000 2.368 523 R HA 0.803 5.143 4.340 -0.001 0.000 0.302 523 R C -0.690 175.676 176.300 0.111 0.000 1.002 523 R CA -0.549 55.595 56.100 0.073 0.000 0.929 523 R CB 2.008 32.324 30.300 0.027 0.000 1.073 523 R HN 0.933 nan 8.270 nan 0.000 0.464 524 V N -1.397 118.589 119.914 0.119 0.000 2.709 524 V HA 0.719 4.839 4.120 -0.001 0.000 0.308 524 V C -0.548 175.598 176.094 0.086 0.000 1.062 524 V CA -0.639 61.736 62.300 0.126 0.000 0.901 524 V CB 2.077 34.038 31.823 0.231 0.000 1.003 524 V HN 0.699 nan 8.190 nan 0.000 0.425 525 S N 2.419 118.153 115.700 0.056 0.000 2.536 525 S HA 0.847 5.317 4.470 -0.001 0.000 0.246 525 S C -0.151 174.442 174.600 -0.012 0.000 1.077 525 S CA 0.596 58.855 58.200 0.098 0.000 1.091 525 S CB 0.366 63.619 63.200 0.088 0.000 1.148 525 S HN 2.398 nan 8.310 nan 0.000 0.447 526 G N 1.346 110.170 108.800 0.039 0.000 2.356 526 G HA2 0.316 4.276 3.960 -0.001 0.000 0.266 526 G HA3 0.316 4.276 3.960 -0.001 0.000 0.266 526 G C -1.150 173.693 174.900 -0.094 0.000 1.312 526 G CA 0.038 44.995 45.100 -0.238 0.000 0.922 526 G HN 1.638 nan 8.290 nan 0.000 0.480 527 V N 0.320 120.138 119.914 -0.161 0.000 2.347 527 V HA 0.784 4.904 4.120 -0.001 0.000 0.280 527 V C -2.373 173.680 176.094 -0.068 0.000 1.021 527 V CA -1.783 60.469 62.300 -0.081 0.000 0.847 527 V CB 1.223 32.990 31.823 -0.094 0.000 0.990 527 V HN 0.616 nan 8.190 nan 0.000 0.444 528 P HA 0.436 nan 4.420 nan 0.000 0.274 528 P C -0.943 176.301 177.300 -0.093 0.000 1.237 528 P CA -0.254 62.814 63.100 -0.053 0.000 0.793 528 P CB 1.134 32.821 31.700 -0.022 0.000 0.977 529 V N 0.457 120.270 119.914 -0.169 0.000 2.577 529 V HA 0.569 4.689 4.120 -0.001 0.000 0.303 529 V C 0.004 175.839 176.094 -0.431 0.000 1.042 529 V CA -1.085 61.032 62.300 -0.305 0.000 0.872 529 V CB 1.537 33.163 31.823 -0.330 0.000 0.998 529 V HN 0.675 nan 8.190 nan 0.000 0.423 530 A N 2.590 125.008 122.820 -0.669 0.000 2.404 530 A HA 0.533 4.852 4.320 -0.001 0.000 0.273 530 A C -0.200 176.974 177.584 -0.684 0.000 1.144 530 A CA 0.010 51.600 52.037 -0.745 0.000 0.806 530 A CB -0.025 18.219 19.000 -1.260 0.000 1.080 530 A HN 0.881 nan 8.150 nan 0.000 0.509 531 D N 2.496 122.669 120.400 -0.378 0.000 2.477 531 D HA 0.439 5.078 4.640 -0.001 0.000 0.239 531 D C -1.062 175.153 176.300 -0.143 0.000 1.102 531 D CA -0.066 53.831 54.000 -0.172 0.000 0.901 531 D CB 0.465 41.280 40.800 0.025 0.000 1.026 531 D HN 0.348 nan 8.370 nan 0.000 0.515 532 L N 3.922 125.013 121.223 -0.220 0.000 2.296 532 L HA 0.585 4.925 4.340 -0.001 0.000 0.286 532 L C -1.522 175.216 176.870 -0.221 0.000 1.023 532 L CA -0.438 54.306 54.840 -0.161 0.000 0.812 532 L CB 0.736 42.689 42.059 -0.177 0.000 1.223 532 L HN 0.172 nan 8.230 nan 0.000 0.421 533 F N 5.304 125.268 119.950 0.023 0.000 2.325 533 F HA 0.742 5.269 4.527 -0.001 0.000 0.369 533 F C 0.318 176.093 175.800 -0.043 0.000 1.095 533 F CA -0.276 57.727 58.000 0.006 0.000 1.082 533 F CB 1.330 40.317 39.000 -0.022 0.000 1.289 533 F HN 0.617 nan 8.300 nan 0.000 0.462 534 A N 2.135 124.960 122.820 0.009 0.000 2.449 534 A HA 0.942 5.261 4.320 -0.001 0.000 0.302 534 A C -1.286 176.298 177.584 0.001 0.000 1.048 534 A CA -0.677 51.258 52.037 -0.171 0.000 0.708 534 A CB 1.263 19.699 19.000 -0.940 0.000 1.274 534 A HN 0.745 nan 8.150 nan 0.000 0.410 535 A N 0.589 123.468 122.820 0.098 0.000 2.355 535 A HA 0.908 5.228 4.320 -0.001 0.000 0.324 535 A C -0.157 177.615 177.584 0.314 0.000 1.117 535 A CA -0.306 51.849 52.037 0.196 0.000 0.785 535 A CB 1.542 20.620 19.000 0.130 0.000 1.254 535 A HN 1.388 nan 8.150 nan 0.000 0.453 536 T N -0.518 114.220 114.554 0.306 0.000 2.900 536 T HA 0.448 4.797 4.350 -0.001 0.000 0.295 536 T C 1.047 175.825 174.700 0.131 0.000 1.044 536 T CA 0.240 62.480 62.100 0.233 0.000 0.995 536 T CB 1.251 70.267 68.868 0.247 0.000 1.072 536 T HN 1.239 nan 8.240 nan 0.000 0.473 537 S N 2.063 117.809 115.700 0.077 0.000 2.561 537 S HA 0.271 4.741 4.470 -0.001 0.000 0.225 537 S C 1.139 175.770 174.600 0.051 0.000 0.977 537 S CA 0.136 58.370 58.200 0.057 0.000 0.926 537 S CB -0.197 63.026 63.200 0.039 0.000 0.769 537 S HN 0.875 nan 8.310 nan 0.000 0.533 538 G N 1.066 109.898 108.800 0.053 0.000 2.531 538 G HA2 0.440 4.399 3.960 -0.001 0.000 0.281 538 G HA3 0.440 4.399 3.960 -0.001 0.000 0.281 538 G C 0.482 175.422 174.900 0.067 0.000 1.382 538 G CA 0.084 45.212 45.100 0.047 0.000 1.045 538 G HN 0.375 nan 8.290 nan 0.000 0.533 539 T N -2.915 111.682 114.554 0.071 0.000 3.085 539 T HA 0.331 4.681 4.350 -0.001 0.000 0.264 539 T C -0.203 174.579 174.700 0.137 0.000 1.019 539 T CA -0.022 62.133 62.100 0.092 0.000 0.910 539 T CB 0.349 69.271 68.868 0.090 0.000 1.059 539 T HN 0.408 nan 8.240 nan 0.000 0.542 540 D N -0.438 120.027 120.400 0.108 0.000 2.653 540 D HA 0.658 5.298 4.640 -0.001 0.000 0.258 540 D C -1.572 174.730 176.300 0.003 0.000 1.252 540 D CA -0.205 53.857 54.000 0.103 0.000 0.777 540 D CB 2.116 42.974 40.800 0.098 0.000 1.339 540 D HN 0.036 nan 8.370 nan 0.000 0.422 541 S N 0.261 115.923 115.700 -0.064 0.000 2.614 541 S HA 0.359 4.828 4.470 -0.001 0.000 0.280 541 S C -2.101 172.228 174.600 -0.451 0.000 1.111 541 S CA -0.804 57.197 58.200 -0.331 0.000 0.847 541 S CB 1.307 64.145 63.200 -0.603 0.000 1.079 541 S HN 0.388 nan 8.310 nan 0.000 0.452 542 D N 0.481 120.535 120.400 -0.577 0.000 2.198 542 D HA 0.612 5.251 4.640 -0.001 0.000 0.247 542 D C -1.259 174.595 176.300 -0.744 0.000 1.010 542 D CA -0.016 53.718 54.000 -0.443 0.000 0.880 542 D CB 0.890 41.572 40.800 -0.196 0.000 1.209 542 D HN 0.427 nan 8.370 nan 0.000 0.451 543 W N 0.996 122.261 121.300 -0.058 0.000 2.554 543 W HA 0.486 5.146 4.660 -0.001 0.000 0.324 543 W C -0.939 175.545 176.519 -0.057 0.000 1.018 543 W CA -0.924 56.383 57.345 -0.063 0.000 1.243 543 W CB 1.324 30.681 29.460 -0.171 0.000 1.345 543 W HN -0.069 nan 8.180 nan 0.000 0.441 544 V N 4.660 124.625 119.914 0.085 0.000 2.370 544 V HA 0.514 4.633 4.120 -0.001 0.000 0.283 544 V C -0.295 175.771 176.094 -0.046 0.000 1.023 544 V CA -0.921 61.274 62.300 -0.174 0.000 0.857 544 V CB 1.261 32.724 31.823 -0.599 0.000 0.985 544 V HN 0.312 nan 8.190 nan 0.000 0.443 545 V N 5.684 125.623 119.914 0.041 0.000 2.540 545 V HA 0.546 4.665 4.120 -0.001 0.000 0.302 545 V C -0.284 175.846 176.094 0.059 0.000 1.035 545 V CA -0.934 61.413 62.300 0.079 0.000 0.873 545 V CB 1.977 33.877 31.823 0.129 0.000 0.992 545 V HN 0.860 nan 8.190 nan 0.000 0.428 546 K N 4.339 124.771 120.400 0.053 0.000 2.426 546 K HA 0.658 4.978 4.320 -0.001 0.000 0.254 546 K C -1.391 175.267 176.600 0.096 0.000 0.936 546 K CA -0.819 55.529 56.287 0.102 0.000 0.801 546 K CB 2.639 35.210 32.500 0.118 0.000 1.139 546 K HN 0.447 nan 8.250 nan 0.000 0.424 547 L N 4.723 126.016 121.223 0.117 0.000 2.272 547 L HA 0.537 4.877 4.340 -0.001 0.000 0.289 547 L C -1.278 175.696 176.870 0.172 0.000 1.032 547 L CA -0.234 54.674 54.840 0.114 0.000 0.810 547 L CB 0.605 42.732 42.059 0.113 0.000 1.205 547 L HN 0.598 nan 8.230 nan 0.000 0.422 548 I N 3.699 124.380 120.570 0.184 0.000 2.689 548 I HA 0.359 4.529 4.170 -0.001 0.000 0.299 548 I C -1.078 175.256 176.117 0.362 0.000 1.059 548 I CA -0.707 60.732 61.300 0.232 0.000 1.055 548 I CB 2.197 40.297 38.000 0.168 0.000 1.243 548 I HN 0.498 nan 8.210 nan 0.000 0.425 549 D N 5.118 125.763 120.400 0.410 0.000 2.427 549 D HA 0.284 4.923 4.640 -0.001 0.000 0.226 549 D C -0.895 175.648 176.300 0.405 0.000 1.076 549 D CA -0.281 54.058 54.000 0.564 0.000 0.849 549 D CB 1.300 42.362 40.800 0.437 0.000 1.052 549 D HN 0.075 nan 8.370 nan 0.000 0.515 550 V N 5.166 125.283 119.914 0.338 0.000 2.427 550 V HA 0.113 4.233 4.120 -0.001 0.000 0.268 550 V C 0.821 177.004 176.094 0.149 0.000 1.046 550 V CA -0.665 61.760 62.300 0.209 0.000 0.970 550 V CB 0.903 32.806 31.823 0.132 0.000 1.001 550 V HN 0.487 nan 8.190 nan 0.000 0.476 551 Q N 5.523 125.359 119.800 0.059 0.000 2.535 551 Q HA 0.252 4.592 4.340 -0.001 0.000 0.228 551 Q C -2.229 173.602 176.000 -0.282 0.000 1.062 551 Q CA -1.919 53.743 55.803 -0.235 0.000 0.967 551 Q CB -0.187 28.514 28.738 -0.061 0.000 1.273 551 Q HN 0.435 nan 8.270 nan 0.000 0.554 552 P HA -0.048 nan 4.420 nan 0.000 0.267 552 P C 0.021 177.274 177.300 -0.079 0.000 1.200 552 P CA 0.462 63.451 63.100 -0.184 0.000 0.772 552 P CB 0.399 32.016 31.700 -0.138 0.000 0.855 553 A N 3.526 126.324 122.820 -0.036 0.000 1.971 553 A HA -0.168 4.152 4.320 -0.001 0.000 0.222 553 A C 0.947 178.524 177.584 -0.012 0.000 1.182 553 A CA 1.843 53.871 52.037 -0.015 0.000 0.649 553 A CB -0.677 18.320 19.000 -0.005 0.000 0.818 553 A HN 0.496 nan 8.150 nan 0.000 0.458 554 M N -0.223 119.368 119.600 -0.016 0.000 2.327 554 M HA 0.308 4.788 4.480 -0.001 0.000 0.298 554 M C -0.869 175.420 176.300 -0.018 0.000 1.065 554 M CA -0.107 55.186 55.300 -0.012 0.000 0.916 554 M CB 1.667 34.263 32.600 -0.006 0.000 1.630 554 M HN 0.259 nan 8.290 nan 0.000 0.442 555 T N -0.616 113.928 114.554 -0.017 0.000 3.250 555 T HA 0.420 4.770 4.350 -0.001 0.000 0.391 555 T C -2.007 172.684 174.700 -0.015 0.000 1.502 555 T CA -1.412 60.676 62.100 -0.020 0.000 1.320 555 T CB 0.579 69.429 68.868 -0.030 0.000 1.102 555 T HN 0.382 nan 8.240 nan 0.000 0.610 556 P HA -0.038 nan 4.420 nan 0.000 0.222 556 P C 0.497 177.792 177.300 -0.010 0.000 1.147 556 P CA 0.885 63.981 63.100 -0.008 0.000 0.790 556 P CB 0.290 31.988 31.700 -0.004 0.000 0.780 557 D N -0.622 119.771 120.400 -0.011 0.000 2.234 557 D HA -0.047 4.592 4.640 -0.001 0.000 0.205 557 D C 0.466 176.753 176.300 -0.022 0.000 0.962 557 D CA 1.270 55.262 54.000 -0.014 0.000 0.855 557 D CB -0.207 40.586 40.800 -0.011 0.000 0.951 557 D HN 0.178 nan 8.370 nan 0.000 0.500 558 D N -1.315 119.070 120.400 -0.027 0.000 2.714 558 D HA 0.144 4.783 4.640 -0.001 0.000 0.264 558 D C -2.073 174.209 176.300 -0.030 0.000 1.231 558 D CA -1.816 52.163 54.000 -0.036 0.000 0.802 558 D CB 1.157 41.923 40.800 -0.056 0.000 1.319 558 D HN -0.238 nan 8.370 nan 0.000 0.528 559 P HA -0.236 nan 4.420 nan 0.000 0.218 559 P C 1.261 178.561 177.300 -0.000 0.000 1.152 559 P CA 1.629 64.724 63.100 -0.009 0.000 0.857 559 P CB 0.099 31.795 31.700 -0.008 0.000 0.787 560 K N -1.285 119.115 120.400 -0.001 0.000 2.362 560 K HA -0.053 4.267 4.320 -0.001 0.000 0.200 560 K C 1.408 178.045 176.600 0.061 0.000 1.046 560 K CA 1.207 57.508 56.287 0.024 0.000 0.952 560 K CB -0.507 32.002 32.500 0.016 0.000 0.753 560 K HN 0.072 nan 8.250 nan 0.000 0.466 561 M N 1.544 121.151 119.600 0.012 0.000 2.561 561 M HA 0.116 4.596 4.480 -0.001 0.000 0.238 561 M C 0.675 177.015 176.300 0.066 0.000 1.131 561 M CA 0.179 55.486 55.300 0.012 0.000 1.046 561 M CB -0.242 32.284 32.600 -0.123 0.000 1.532 561 M HN 0.211 nan 8.290 nan 0.000 0.497 562 G N 0.553 109.378 108.800 0.041 0.000 2.255 562 G HA2 0.316 4.275 3.960 -0.001 0.000 0.267 562 G HA3 0.316 4.275 3.960 -0.001 0.000 0.267 562 G C 1.113 176.039 174.900 0.043 0.000 1.177 562 G CA 0.456 45.570 45.100 0.024 0.000 1.027 562 G HN 0.708 nan 8.290 nan 0.000 0.437 563 G N 1.767 110.588 108.800 0.034 0.000 2.162 563 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.260 563 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.260 563 G C 0.421 175.368 174.900 0.079 0.000 0.976 563 G CA 0.526 45.649 45.100 0.038 0.000 0.655 563 G HN 1.084 nan 8.290 nan 0.000 0.533 564 Y N 1.762 122.051 120.300 -0.017 0.000 2.632 564 Y HA 0.364 4.913 4.550 -0.001 0.000 0.329 564 Y C 0.797 176.711 175.900 0.023 0.000 1.174 564 Y CA 0.422 58.520 58.100 -0.004 0.000 1.469 564 Y CB 0.469 38.920 38.460 -0.015 0.000 1.242 564 Y HN 0.333 nan 8.280 nan 0.000 0.540 565 E N 6.993 127.168 120.200 -0.041 0.000 1.924 565 E HA 0.125 4.474 4.350 -0.001 0.000 0.261 565 E C -1.236 175.419 176.600 0.092 0.000 1.088 565 E CA -0.562 55.864 56.400 0.043 0.000 0.909 565 E CB 0.396 30.085 29.700 -0.018 0.000 1.112 565 E HN 0.407 nan 8.360 nan 0.000 0.425 566 L N 5.088 126.500 121.223 0.315 0.000 2.283 566 L HA 0.318 4.657 4.340 -0.001 0.000 0.287 566 L C -2.575 174.435 176.870 0.234 0.000 1.073 566 L CA -2.177 52.865 54.840 0.337 0.000 0.822 566 L CB 0.340 42.595 42.059 0.327 0.000 1.186 566 L HN 0.142 nan 8.230 nan 0.000 0.436 567 P HA 0.086 nan 4.420 nan 0.000 0.276 567 P C 0.545 178.033 177.300 0.314 0.000 1.243 567 P CA -0.202 63.032 63.100 0.224 0.000 0.768 567 P CB 1.057 32.882 31.700 0.208 0.000 0.856 568 V N 0.580 120.620 119.914 0.209 0.000 3.431 568 V HA 0.273 4.393 4.120 -0.001 0.000 0.253 568 V C 0.517 176.632 176.094 0.034 0.000 1.184 568 V CA 0.571 62.928 62.300 0.094 0.000 1.104 568 V CB -0.024 31.684 31.823 -0.192 0.000 0.799 568 V HN 0.546 nan 8.190 nan 0.000 0.462 569 S N 1.056 116.824 115.700 0.113 0.000 2.590 569 S HA 0.738 5.208 4.470 -0.001 0.000 0.286 569 S C -1.002 173.707 174.600 0.181 0.000 1.147 569 S CA -0.654 57.611 58.200 0.108 0.000 0.963 569 S CB 1.119 64.359 63.200 0.066 0.000 1.124 569 S HN 0.613 nan 8.310 nan 0.000 0.458 570 M N 2.842 122.593 119.600 0.253 0.000 2.470 570 M HA 0.770 5.249 4.480 -0.001 0.000 0.285 570 M C -1.668 174.919 176.300 0.478 0.000 1.213 570 M CA -0.757 54.748 55.300 0.342 0.000 0.901 570 M CB 2.217 35.063 32.600 0.410 0.000 1.718 570 M HN 0.491 nan 8.290 nan 0.000 0.469 571 D N 0.720 121.393 120.400 0.454 0.000 2.665 571 D HA 0.659 5.299 4.640 -0.001 0.000 0.287 571 D C -1.997 174.520 176.300 0.361 0.000 1.266 571 D CA -0.403 53.942 54.000 0.575 0.000 0.830 571 D CB 3.134 44.316 40.800 0.637 0.000 1.356 571 D HN 0.841 nan 8.370 nan 0.000 0.437 572 I N 0.966 121.738 120.570 0.337 0.000 2.646 572 I HA 0.615 4.784 4.170 -0.001 0.000 0.299 572 I C -1.562 174.606 176.117 0.085 0.000 1.036 572 I CA -0.919 60.426 61.300 0.075 0.000 1.074 572 I CB 1.646 39.559 38.000 -0.145 0.000 1.258 572 I HN 0.280 nan 8.210 nan 0.000 0.430 573 F N 6.851 126.660 119.950 -0.234 0.000 2.536 573 F HA 0.501 5.028 4.527 -0.001 0.000 0.322 573 F C -0.341 175.404 175.800 -0.091 0.000 1.144 573 F CA -0.756 57.047 58.000 -0.328 0.000 0.924 573 F CB 1.141 39.525 39.000 -1.026 0.000 1.181 573 F HN 0.416 nan 8.300 nan 0.000 0.438 574 R N 4.081 124.417 120.500 -0.273 0.000 2.248 574 R HA 0.283 4.623 4.340 -0.001 0.000 0.337 574 R C 1.332 177.682 176.300 0.083 0.000 1.085 574 R CA 0.625 56.699 56.100 -0.044 0.000 0.934 574 R CB 0.690 31.031 30.300 0.068 0.000 1.034 574 R HN 0.981 nan 8.270 nan 0.000 0.465 575 G N 5.044 113.995 108.800 0.251 0.000 2.507 575 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.221 575 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.221 575 G C 1.256 176.376 174.900 0.366 0.000 1.119 575 G CA 1.023 46.434 45.100 0.519 0.000 0.751 575 G HN 0.804 nan 8.290 nan 0.000 0.574 576 R N -0.568 119.971 120.500 0.064 0.000 2.200 576 R HA -0.075 4.265 4.340 -0.001 0.000 0.234 576 R C 1.174 177.381 176.300 -0.155 0.000 1.127 576 R CA 1.263 57.321 56.100 -0.070 0.000 0.989 576 R CB -0.609 29.582 30.300 -0.181 0.000 0.869 576 R HN 0.496 nan 8.270 nan 0.000 0.459 577 Y N 0.509 120.956 120.300 0.244 0.000 2.532 577 Y HA 0.284 4.833 4.550 -0.001 0.000 0.283 577 Y C 2.210 178.236 175.900 0.209 0.000 1.181 577 Y CA -0.631 57.589 58.100 0.199 0.000 1.256 577 Y CB 0.066 38.684 38.460 0.263 0.000 1.112 577 Y HN -0.011 nan 8.280 nan 0.000 0.521 578 R N 1.193 121.950 120.500 0.429 0.000 2.103 578 R HA -0.202 4.137 4.340 -0.001 0.000 0.242 578 R C 1.488 177.803 176.300 0.025 0.000 1.142 578 R CA 1.904 58.186 56.100 0.303 0.000 0.960 578 R CB 0.135 30.486 30.300 0.086 0.000 0.858 578 R HN 0.322 nan 8.270 nan 0.000 0.439 579 K N -1.443 118.955 120.400 -0.003 0.000 2.168 579 K HA 0.028 4.347 4.320 -0.001 0.000 0.201 579 K C -0.083 176.473 176.600 -0.074 0.000 1.049 579 K CA 0.506 56.760 56.287 -0.055 0.000 0.974 579 K CB 0.392 32.872 32.500 -0.033 0.000 0.792 579 K HN 0.021 nan 8.250 nan 0.000 0.463 580 D N -1.249 119.133 120.400 -0.029 0.000 2.970 580 D HA 0.122 4.761 4.640 -0.001 0.000 0.230 580 D C -0.099 176.267 176.300 0.110 0.000 1.276 580 D CA -0.527 53.465 54.000 -0.013 0.000 0.910 580 D CB 0.960 41.796 40.800 0.059 0.000 1.590 580 D HN -0.211 nan 8.370 nan 0.000 0.551 581 F N 1.911 121.983 119.950 0.204 0.000 2.293 581 F HA 0.034 4.561 4.527 -0.001 0.000 0.300 581 F C 2.372 178.156 175.800 -0.028 0.000 1.086 581 F CA 1.082 59.125 58.000 0.072 0.000 1.375 581 F CB -0.406 38.514 39.000 -0.133 0.000 1.045 581 F HN 0.498 nan 8.300 nan 0.000 0.516 582 A N -1.278 121.676 122.820 0.224 0.000 2.021 582 A HA 0.033 4.353 4.320 -0.001 0.000 0.216 582 A C 1.022 178.713 177.584 0.180 0.000 1.163 582 A CA 0.692 52.806 52.037 0.128 0.000 0.676 582 A CB -0.025 19.031 19.000 0.093 0.000 0.818 582 A HN -0.048 nan 8.150 nan 0.000 0.453 583 K N 1.245 121.777 120.400 0.220 0.000 2.579 583 K HA 0.325 4.645 4.320 -0.001 0.000 0.225 583 K C -3.182 173.558 176.600 0.233 0.000 0.992 583 K CA -2.004 54.399 56.287 0.194 0.000 1.018 583 K CB 1.671 34.241 32.500 0.117 0.000 1.249 583 K HN 0.182 nan 8.250 nan 0.000 0.489 584 P HA 0.210 nan 4.420 nan 0.000 0.275 584 P C -0.634 176.777 177.300 0.185 0.000 1.227 584 P CA -0.061 63.165 63.100 0.210 0.000 0.781 584 P CB 1.282 33.087 31.700 0.176 0.000 0.906 585 E N 0.479 120.694 120.200 0.025 0.000 2.356 585 E HA 0.548 4.898 4.350 -0.001 0.000 0.275 585 E C -0.657 175.624 176.600 -0.533 0.000 0.904 585 E CA -1.145 55.069 56.400 -0.309 0.000 0.757 585 E CB 2.451 32.050 29.700 -0.169 0.000 1.232 585 E HN 0.480 nan 8.360 nan 0.000 0.442 586 A N 2.728 124.909 122.820 -1.064 0.000 2.466 586 A HA 0.268 4.588 4.320 -0.001 0.000 0.238 586 A C -0.196 177.262 177.584 -0.210 0.000 1.074 586 A CA 0.046 51.677 52.037 -0.675 0.000 0.774 586 A CB 0.136 18.762 19.000 -0.624 0.000 1.015 586 A HN 0.520 nan 8.150 nan 0.000 0.498 587 L N 0.942 122.145 121.223 -0.033 0.000 2.334 587 L HA 0.300 4.640 4.340 -0.001 0.000 0.277 587 L C 0.460 177.348 176.870 0.030 0.000 1.075 587 L CA -0.662 54.207 54.840 0.049 0.000 0.804 587 L CB 1.123 43.285 42.059 0.172 0.000 1.174 587 L HN 0.814 nan 8.230 nan 0.000 0.438 588 Q N 4.456 124.273 119.800 0.028 0.000 2.286 588 Q HA 0.198 4.538 4.340 -0.001 0.000 0.265 588 Q C -2.352 173.678 176.000 0.050 0.000 1.080 588 Q CA -1.395 54.420 55.803 0.020 0.000 0.906 588 Q CB 0.762 29.502 28.738 0.005 0.000 1.227 588 Q HN 0.156 nan 8.270 nan 0.000 0.409 589 P HA -0.020 nan 4.420 nan 0.000 0.264 589 P C -0.789 176.542 177.300 0.052 0.000 1.193 589 P CA 0.391 63.524 63.100 0.055 0.000 0.763 589 P CB 0.558 32.282 31.700 0.040 0.000 0.810 590 D N -0.778 119.662 120.400 0.068 0.000 3.079 590 D HA -0.186 4.454 4.640 -0.001 0.000 0.214 590 D C 0.075 176.407 176.300 0.053 0.000 1.145 590 D CA 1.432 55.468 54.000 0.060 0.000 0.958 590 D CB -1.404 39.422 40.800 0.042 0.000 1.117 590 D HN 0.523 nan 8.370 nan 0.000 0.416 591 A N 0.408 123.261 122.820 0.056 0.000 2.301 591 A HA 0.544 4.863 4.320 -0.001 0.000 0.312 591 A C 0.521 178.137 177.584 0.054 0.000 1.182 591 A CA -0.118 51.941 52.037 0.037 0.000 0.826 591 A CB 0.923 19.936 19.000 0.022 0.000 1.134 591 A HN -0.014 nan 8.150 nan 0.000 0.501 592 T N 3.733 118.303 114.554 0.028 0.000 2.752 592 T HA 0.429 4.778 4.350 -0.001 0.000 0.295 592 T C -0.072 174.653 174.700 0.042 0.000 0.923 592 T CA 0.506 62.631 62.100 0.042 0.000 1.112 592 T CB -0.530 68.325 68.868 -0.022 0.000 0.884 592 T HN 0.412 nan 8.240 nan 0.000 0.525 593 L N 2.819 124.056 121.223 0.024 0.000 2.334 593 L HA 0.442 4.782 4.340 -0.001 0.000 0.273 593 L C 0.478 177.184 176.870 -0.273 0.000 1.013 593 L CA -1.074 53.685 54.840 -0.134 0.000 0.816 593 L CB 1.646 43.550 42.059 -0.258 0.000 1.278 593 L HN 0.638 nan 8.230 nan 0.000 0.431 594 H N 1.946 120.717 119.070 -0.499 0.000 2.604 594 H HA 0.322 4.878 4.556 -0.001 0.000 0.306 594 H C -1.538 173.358 175.328 -0.721 0.000 1.075 594 H CA -0.470 55.162 56.048 -0.695 0.000 1.357 594 H CB 0.604 30.046 29.762 -0.532 0.000 1.426 594 H HN 0.400 nan 8.280 nan 0.000 0.470 595 Y N 3.076 123.060 120.300 -0.526 0.000 2.393 595 Y HA 0.210 4.760 4.550 -0.001 0.000 0.341 595 Y C -0.369 175.205 175.900 -0.543 0.000 0.988 595 Y CA -0.809 56.981 58.100 -0.517 0.000 1.078 595 Y CB 1.569 39.782 38.460 -0.412 0.000 1.203 595 Y HN 0.688 nan 8.280 nan 0.000 0.453 596 H N 4.306 123.120 119.070 -0.427 0.000 3.013 596 H HA 0.572 5.128 4.556 -0.001 0.000 0.326 596 H C -1.725 173.530 175.328 -0.121 0.000 0.973 596 H CA -1.062 54.758 56.048 -0.379 0.000 1.369 596 H CB 0.602 30.090 29.762 -0.456 0.000 1.598 596 H HN 0.503 nan 8.280 nan 0.000 0.518 597 F N 1.151 120.852 119.950 -0.415 0.000 2.665 597 F HA 0.461 4.988 4.527 -0.001 0.000 0.308 597 F C -0.772 174.998 175.800 -0.051 0.000 1.112 597 F CA -1.121 56.761 58.000 -0.196 0.000 0.972 597 F CB 0.764 39.544 39.000 -0.367 0.000 1.295 597 F HN 0.394 nan 8.300 nan 0.000 0.440 598 T N 1.269 116.028 114.554 0.342 0.000 2.907 598 T HA 0.647 4.997 4.350 -0.001 0.000 0.298 598 T C -0.300 174.660 174.700 0.434 0.000 1.017 598 T CA -0.512 61.755 62.100 0.278 0.000 1.118 598 T CB 0.978 70.027 68.868 0.303 0.000 0.948 598 T HN 0.715 nan 8.240 nan 0.000 0.531 599 L N 2.383 123.744 121.223 0.230 0.000 2.331 599 L HA 0.539 4.878 4.340 -0.001 0.000 0.268 599 L C -2.207 174.775 176.870 0.185 0.000 1.015 599 L CA -3.124 51.872 54.840 0.259 0.000 0.807 599 L CB 1.272 43.419 42.059 0.146 0.000 1.293 599 L HN 0.419 nan 8.230 nan 0.000 0.451 600 P HA 0.007 nan 4.420 nan 0.000 0.265 600 P C -0.707 176.605 177.300 0.019 0.000 1.187 600 P CA -0.152 63.001 63.100 0.089 0.000 0.766 600 P CB 0.431 32.176 31.700 0.075 0.000 0.820 601 A N 2.685 125.497 122.820 -0.013 0.000 2.520 601 A HA 0.406 4.726 4.320 -0.001 0.000 0.235 601 A C 0.235 177.783 177.584 -0.061 0.000 1.065 601 A CA 0.135 52.172 52.037 -0.000 0.000 0.764 601 A CB -0.360 18.674 19.000 0.056 0.000 1.002 601 A HN 0.476 nan 8.150 nan 0.000 0.502 602 V N -0.464 119.447 119.914 -0.005 0.000 2.876 602 V HA 0.840 4.959 4.120 -0.001 0.000 0.312 602 V C -0.681 175.423 176.094 0.017 0.000 1.085 602 V CA -0.857 61.411 62.300 -0.053 0.000 0.945 602 V CB 2.156 33.970 31.823 -0.015 0.000 1.017 602 V HN 0.900 nan 8.190 nan 0.000 0.428 603 N N 1.214 119.887 118.700 -0.044 0.000 2.710 603 N HA 0.465 5.205 4.740 -0.001 0.000 0.244 603 N C -1.262 174.231 175.510 -0.028 0.000 1.321 603 N CA -0.158 52.890 53.050 -0.003 0.000 0.758 603 N CB 0.615 39.071 38.487 -0.052 0.000 1.284 603 N HN 1.140 nan 8.380 nan 0.000 0.530 604 H N 0.019 118.997 119.070 -0.154 0.000 2.985 604 H HA 0.747 5.302 4.556 -0.001 0.000 0.360 604 H C -1.508 173.673 175.328 -0.244 0.000 1.221 604 H CA -0.639 55.257 56.048 -0.253 0.000 1.121 604 H CB 1.683 31.213 29.762 -0.386 0.000 1.854 604 H HN -0.021 nan 8.280 nan 0.000 0.551 605 V N 3.339 122.733 119.914 -0.867 0.000 2.525 605 V HA 0.270 4.389 4.120 -0.001 0.000 0.299 605 V C -0.931 174.721 176.094 -0.737 0.000 1.034 605 V CA -0.627 61.347 62.300 -0.542 0.000 0.863 605 V CB 1.139 32.749 31.823 -0.355 0.000 0.999 605 V HN 0.583 nan 8.190 nan 0.000 0.423 606 F N 3.906 123.755 119.950 -0.167 0.000 2.405 606 F HA 0.647 5.173 4.527 -0.001 0.000 0.358 606 F C 0.990 176.667 175.800 -0.205 0.000 1.151 606 F CA -0.129 57.805 58.000 -0.111 0.000 1.161 606 F CB 0.793 39.848 39.000 0.093 0.000 1.245 606 F HN 0.598 nan 8.300 nan 0.000 0.545 607 A N 4.186 126.788 122.820 -0.363 0.000 2.267 607 A HA 0.373 4.692 4.320 -0.001 0.000 0.271 607 A C 0.397 178.004 177.584 0.039 0.000 1.131 607 A CA -0.777 51.137 52.037 -0.204 0.000 0.818 607 A CB 0.383 19.217 19.000 -0.278 0.000 1.118 607 A HN 0.676 nan 8.150 nan 0.000 0.501 608 K N -0.590 119.863 120.400 0.089 0.000 2.436 608 K HA 0.337 4.656 4.320 -0.001 0.000 0.275 608 K C 1.129 177.867 176.600 0.230 0.000 0.999 608 K CA 1.100 57.468 56.287 0.136 0.000 0.980 608 K CB 0.157 32.710 32.500 0.087 0.000 0.919 608 K HN 1.349 nan 8.250 nan 0.000 0.484 609 G N 1.540 110.454 108.800 0.191 0.000 2.241 609 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 609 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 609 G C 0.178 175.173 174.900 0.157 0.000 0.998 609 G CA -0.166 45.026 45.100 0.154 0.000 0.621 609 G HN 0.759 nan 8.290 nan 0.000 0.519 610 H N 0.306 119.441 119.070 0.110 0.000 2.490 610 H HA 0.678 5.233 4.556 -0.001 0.000 0.354 610 H C 0.594 176.003 175.328 0.135 0.000 1.365 610 H CA -0.081 56.055 56.048 0.147 0.000 1.413 610 H CB 0.781 30.677 29.762 0.224 0.000 1.631 610 H HN 0.270 nan 8.280 nan 0.000 0.607 611 R N 0.148 120.812 120.500 0.273 0.000 2.808 611 R HA 0.448 4.788 4.340 -0.001 0.000 0.272 611 R C -0.823 175.555 176.300 0.130 0.000 0.995 611 R CA -0.820 55.371 56.100 0.151 0.000 0.917 611 R CB 1.957 32.310 30.300 0.088 0.000 1.217 611 R HN 0.398 nan 8.270 nan 0.000 0.471 612 I N 2.153 122.691 120.570 -0.053 0.000 2.392 612 I HA 0.415 4.585 4.170 -0.001 0.000 0.295 612 I C -0.099 175.967 176.117 -0.085 0.000 0.985 612 I CA -0.407 60.754 61.300 -0.231 0.000 1.221 612 I CB 1.624 39.293 38.000 -0.552 0.000 1.366 612 I HN 0.411 nan 8.210 nan 0.000 0.467 613 M N 6.509 126.100 119.600 -0.015 0.000 2.518 613 M HA 0.682 5.162 4.480 -0.001 0.000 0.300 613 M C -2.006 174.318 176.300 0.040 0.000 1.175 613 M CA -0.606 54.713 55.300 0.033 0.000 0.890 613 M CB 2.349 34.991 32.600 0.070 0.000 1.710 613 M HN 0.309 nan 8.290 nan 0.000 0.453 614 V N 3.445 123.402 119.914 0.071 0.000 2.588 614 V HA 0.493 4.613 4.120 -0.001 0.000 0.304 614 V C -0.970 175.211 176.094 0.145 0.000 1.042 614 V CA -0.581 61.764 62.300 0.075 0.000 0.877 614 V CB 2.011 33.837 31.823 0.006 0.000 0.996 614 V HN 0.875 nan 8.190 nan 0.000 0.425 615 Q N 3.972 123.833 119.800 0.102 0.000 2.353 615 Q HA 0.724 5.063 4.340 -0.001 0.000 0.268 615 Q C -1.419 174.614 176.000 0.055 0.000 1.045 615 Q CA -0.575 55.277 55.803 0.083 0.000 0.811 615 Q CB 3.129 31.894 28.738 0.045 0.000 1.305 615 Q HN 0.643 nan 8.270 nan 0.000 0.447 616 I N 2.366 122.961 120.570 0.041 0.000 2.545 616 I HA 0.377 4.547 4.170 -0.001 0.000 0.292 616 I C -0.397 175.644 176.117 -0.128 0.000 1.040 616 I CA -0.586 60.737 61.300 0.038 0.000 1.068 616 I CB 1.973 40.080 38.000 0.177 0.000 1.251 616 I HN 0.634 nan 8.210 nan 0.000 0.424 617 Q N 2.743 122.507 119.800 -0.061 0.000 2.707 617 Q HA 0.562 4.902 4.340 -0.001 0.000 0.307 617 Q C -1.224 174.833 176.000 0.094 0.000 0.934 617 Q CA -0.886 54.857 55.803 -0.099 0.000 0.753 617 Q CB 2.010 30.669 28.738 -0.131 0.000 1.478 617 Q HN 0.412 nan 8.270 nan 0.000 0.458 618 S N -0.028 115.741 115.700 0.115 0.000 2.819 618 S HA 0.282 4.752 4.470 -0.001 0.000 0.249 618 S C -0.717 173.877 174.600 -0.011 0.000 1.030 618 S CA 0.293 58.480 58.200 -0.022 0.000 1.052 618 S CB 0.597 63.727 63.200 -0.117 0.000 1.017 618 S HN 0.630 nan 8.310 nan 0.000 0.576 619 S N -0.112 115.631 115.700 0.071 0.000 2.570 619 S HA 0.760 5.230 4.470 -0.001 0.000 0.270 619 S C -2.116 172.691 174.600 0.345 0.000 1.149 619 S CA -0.649 57.663 58.200 0.186 0.000 0.837 619 S CB 1.654 64.960 63.200 0.175 0.000 1.124 619 S HN 0.231 nan 8.310 nan 0.000 0.465 620 W N 2.279 123.735 121.300 0.259 0.000 1.896 620 W HA 0.511 5.171 4.660 -0.001 0.000 0.302 620 W C -2.120 174.591 176.519 0.320 0.000 1.016 620 W CA -1.671 55.858 57.345 0.306 0.000 1.200 620 W CB 0.865 30.509 29.460 0.306 0.000 1.226 620 W HN 0.685 nan 8.180 nan 0.000 0.308 621 F N 5.461 125.615 119.950 0.339 0.000 2.458 621 F HA 0.637 5.164 4.527 -0.001 0.000 0.330 621 F C -1.226 174.743 175.800 0.282 0.000 1.082 621 F CA -2.603 55.503 58.000 0.176 0.000 0.995 621 F CB 1.876 40.944 39.000 0.113 0.000 1.170 621 F HN -0.069 nan 8.300 nan 0.000 0.478 622 P HA -0.012 nan 4.420 nan 0.000 0.257 622 P C 1.420 178.190 177.300 -0.882 0.000 1.281 622 P CA 0.346 62.635 63.100 -1.351 0.000 0.826 622 P CB 0.252 31.200 31.700 -1.254 0.000 1.237 623 L N -0.019 120.679 121.223 -0.876 0.000 1.990 623 L HA -0.062 4.277 4.340 -0.001 0.000 0.213 623 L C 0.361 176.630 176.870 -1.001 0.000 1.072 623 L CA 1.776 55.944 54.840 -1.120 0.000 0.755 623 L CB -1.335 39.524 42.059 -2.000 0.000 0.889 623 L HN -0.123 nan 8.230 nan 0.000 0.432 624 Y N 0.822 120.881 120.300 -0.402 0.000 2.341 624 Y HA 0.310 4.860 4.550 -0.001 0.000 0.337 624 Y C 0.199 176.112 175.900 0.023 0.000 1.014 624 Y CA -1.916 56.084 58.100 -0.167 0.000 1.111 624 Y CB 0.382 38.852 38.460 0.017 0.000 1.194 624 Y HN 0.243 nan 8.280 nan 0.000 0.462 625 D N 2.266 122.812 120.400 0.242 0.000 2.390 625 D HA 0.007 4.646 4.640 -0.001 0.000 0.236 625 D C -0.358 176.182 176.300 0.399 0.000 1.189 625 D CA -0.271 53.957 54.000 0.381 0.000 0.887 625 D CB 0.701 41.778 40.800 0.462 0.000 1.198 625 D HN 0.485 nan 8.370 nan 0.000 0.444 626 R N 0.857 121.607 120.500 0.416 0.000 2.438 626 R HA 0.166 4.505 4.340 -0.001 0.000 0.287 626 R C 0.500 176.955 176.300 0.258 0.000 1.077 626 R CA -0.640 55.635 56.100 0.291 0.000 1.034 626 R CB 0.376 30.781 30.300 0.174 0.000 0.993 626 R HN 0.449 nan 8.270 nan 0.000 0.459 627 N N 3.485 122.270 118.700 0.142 0.000 2.430 627 N HA 0.077 4.817 4.740 -0.001 0.000 0.265 627 N C -1.908 173.624 175.510 0.037 0.000 1.100 627 N CA -1.874 51.203 53.050 0.044 0.000 0.961 627 N CB 1.398 39.865 38.487 -0.033 0.000 1.075 627 N HN 0.271 nan 8.380 nan 0.000 0.478 628 P HA -0.048 nan 4.420 nan 0.000 0.230 628 P C -0.343 176.886 177.300 -0.119 0.000 1.158 628 P CA 0.843 63.771 63.100 -0.286 0.000 0.769 628 P CB 0.221 31.542 31.700 -0.632 0.000 0.807 629 Q N -2.654 117.100 119.800 -0.078 0.000 2.489 629 Q HA -0.211 4.129 4.340 -0.001 0.000 0.259 629 Q C 0.085 176.073 176.000 -0.019 0.000 0.934 629 Q CA 0.881 56.658 55.803 -0.043 0.000 1.131 629 Q CB -1.747 26.972 28.738 -0.031 0.000 1.472 629 Q HN 0.319 nan 8.270 nan 0.000 0.560 630 K N 0.249 120.626 120.400 -0.038 0.000 2.535 630 K HA 0.391 4.711 4.320 -0.001 0.000 0.250 630 K C -1.262 175.346 176.600 0.012 0.000 0.948 630 K CA -0.764 55.523 56.287 -0.001 0.000 0.796 630 K CB 0.944 33.419 32.500 -0.042 0.000 1.216 630 K HN 0.008 nan 8.250 nan 0.000 0.432 631 F N 5.738 125.655 119.950 -0.054 0.000 2.533 631 F HA 0.184 4.711 4.527 -0.001 0.000 0.378 631 F C -0.330 175.436 175.800 -0.055 0.000 1.070 631 F CA 0.197 58.164 58.000 -0.056 0.000 1.172 631 F CB 0.465 39.443 39.000 -0.037 0.000 1.085 631 F HN 0.220 nan 8.300 nan 0.000 0.552 632 V N 4.870 124.447 119.914 -0.563 0.000 2.864 632 V HA 0.524 4.644 4.120 -0.001 0.000 0.314 632 V C -2.184 173.530 176.094 -0.633 0.000 1.073 632 V CA -1.931 60.123 62.300 -0.411 0.000 0.956 632 V CB 1.476 33.145 31.823 -0.258 0.000 1.023 632 V HN 0.508 nan 8.190 nan 0.000 0.435 633 P HA -0.077 nan 4.420 nan 0.000 0.215 633 P C 0.175 177.323 177.300 -0.255 0.000 1.153 633 P CA 1.465 64.392 63.100 -0.288 0.000 0.853 633 P CB 0.112 31.746 31.700 -0.111 0.000 0.788 634 N N -1.115 117.470 118.700 -0.192 0.000 2.519 634 N HA 0.180 4.920 4.740 -0.001 0.000 0.286 634 N C 0.569 176.007 175.510 -0.120 0.000 1.079 634 N CA -0.400 52.568 53.050 -0.136 0.000 0.878 634 N CB 0.856 39.289 38.487 -0.090 0.000 1.375 634 N HN -0.198 nan 8.380 nan 0.000 0.514 635 I N 2.350 122.815 120.570 -0.175 0.000 2.567 635 I HA -0.199 3.970 4.170 -0.001 0.000 0.257 635 I C 1.344 177.457 176.117 -0.006 0.000 1.184 635 I CA 0.998 62.218 61.300 -0.134 0.000 1.451 635 I CB -0.139 37.772 38.000 -0.149 0.000 1.089 635 I HN 0.484 nan 8.210 nan 0.000 0.441 636 F N 0.934 120.941 119.950 0.095 0.000 2.202 636 F HA -0.240 4.287 4.527 -0.001 0.000 0.301 636 F C 1.689 177.624 175.800 0.224 0.000 1.082 636 F CA 0.907 59.021 58.000 0.191 0.000 1.313 636 F CB -0.147 38.950 39.000 0.163 0.000 1.024 636 F HN 0.124 nan 8.300 nan 0.000 0.495 637 D N 0.418 121.001 120.400 0.306 0.000 2.358 637 D HA 0.179 4.819 4.640 -0.001 0.000 0.224 637 D C 0.658 177.051 176.300 0.154 0.000 1.123 637 D CA 0.154 54.300 54.000 0.243 0.000 0.833 637 D CB -0.261 40.654 40.800 0.192 0.000 0.946 637 D HN 0.042 nan 8.370 nan 0.000 0.505 638 A N 0.962 123.861 122.820 0.131 0.000 2.531 638 A HA 0.084 4.403 4.320 -0.001 0.000 0.236 638 A C 0.646 178.328 177.584 0.164 0.000 1.062 638 A CA 0.333 52.394 52.037 0.040 0.000 0.760 638 A CB 0.444 19.370 19.000 -0.124 0.000 0.995 638 A HN -0.007 nan 8.150 nan 0.000 0.501 639 K N 2.579 123.042 120.400 0.106 0.000 2.123 639 K HA 0.371 4.691 4.320 -0.001 0.000 0.248 639 K C -1.954 174.809 176.600 0.271 0.000 0.969 639 K CA -1.862 54.525 56.287 0.165 0.000 0.882 639 K CB 0.978 33.532 32.500 0.090 0.000 1.080 639 K HN 0.296 nan 8.250 nan 0.000 0.441 640 P HA -0.265 nan 4.420 nan 0.000 0.216 640 P C 0.862 178.312 177.300 0.250 0.000 1.157 640 P CA 1.519 64.773 63.100 0.256 0.000 0.880 640 P CB 0.093 31.863 31.700 0.116 0.000 0.791 641 A N -0.302 122.604 122.820 0.144 0.000 2.024 641 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 641 A C 1.817 179.447 177.584 0.076 0.000 1.164 641 A CA 1.946 54.041 52.037 0.097 0.000 0.643 641 A CB -1.290 17.746 19.000 0.060 0.000 0.806 641 A HN 0.124 nan 8.150 nan 0.000 0.451 642 D N -1.327 119.095 120.400 0.036 0.000 2.264 642 D HA -0.040 4.600 4.640 -0.001 0.000 0.208 642 D C -0.222 175.982 176.300 -0.160 0.000 0.966 642 D CA 0.612 54.551 54.000 -0.102 0.000 0.864 642 D CB -0.323 40.338 40.800 -0.232 0.000 0.933 642 D HN 0.573 nan 8.370 nan 0.000 0.499 643 Y N 1.137 121.443 120.300 0.010 0.000 2.587 643 Y HA 0.169 4.718 4.550 -0.001 0.000 0.344 643 Y C 0.788 176.689 175.900 0.002 0.000 1.061 643 Y CA 0.140 58.240 58.100 0.000 0.000 1.370 643 Y CB 0.407 38.860 38.460 -0.011 0.000 1.163 643 Y HN -0.337 nan 8.280 nan 0.000 0.527 644 T N 3.176 117.782 114.554 0.086 0.000 2.856 644 T HA 0.464 4.813 4.350 -0.001 0.000 0.283 644 T C -0.337 174.399 174.700 0.059 0.000 1.008 644 T CA -0.840 61.297 62.100 0.062 0.000 0.997 644 T CB 1.461 70.346 68.868 0.029 0.000 0.992 644 T HN 0.201 nan 8.240 nan 0.000 0.454 645 V N 2.145 122.093 119.914 0.057 0.000 2.614 645 V HA 0.674 4.794 4.120 -0.001 0.000 0.291 645 V C 0.402 176.516 176.094 0.034 0.000 1.049 645 V CA -0.330 62.001 62.300 0.052 0.000 1.038 645 V CB 0.776 32.635 31.823 0.060 0.000 0.980 645 V HN 1.139 nan 8.190 nan 0.000 0.481 646 A N 3.323 126.155 122.820 0.020 0.000 2.539 646 A HA 0.779 5.099 4.320 -0.001 0.000 0.296 646 A C -0.351 177.223 177.584 -0.018 0.000 1.073 646 A CA -0.593 51.445 52.037 0.003 0.000 0.700 646 A CB 1.848 20.840 19.000 -0.012 0.000 1.296 646 A HN 0.658 nan 8.150 nan 0.000 0.405 647 T N 2.851 117.395 114.554 -0.015 0.000 2.767 647 T HA 0.491 4.841 4.350 -0.001 0.000 0.284 647 T C -0.522 174.136 174.700 -0.069 0.000 0.973 647 T CA -0.322 61.754 62.100 -0.039 0.000 0.996 647 T CB 0.790 69.659 68.868 0.003 0.000 0.927 647 T HN 0.563 nan 8.240 nan 0.000 0.456 648 Q N 1.790 121.453 119.800 -0.228 0.000 2.245 648 Q HA 0.611 4.950 4.340 -0.001 0.000 0.256 648 Q C -0.722 175.206 176.000 -0.119 0.000 0.942 648 Q CA -0.624 55.054 55.803 -0.209 0.000 0.896 648 Q CB 2.060 30.402 28.738 -0.660 0.000 1.272 648 Q HN 0.527 nan 8.270 nan 0.000 0.442 649 S N 1.882 117.630 115.700 0.080 0.000 2.647 649 S HA 0.515 4.984 4.470 -0.001 0.000 0.300 649 S C -0.537 174.159 174.600 0.161 0.000 1.129 649 S CA -0.570 57.704 58.200 0.124 0.000 1.029 649 S CB 0.619 63.883 63.200 0.107 0.000 1.007 649 S HN 0.364 nan 8.310 nan 0.000 0.484 650 I N 3.198 123.900 120.570 0.221 0.000 2.307 650 I HA 0.313 4.482 4.170 -0.001 0.000 0.289 650 I C 0.272 176.498 176.117 0.182 0.000 1.021 650 I CA -0.363 61.060 61.300 0.205 0.000 1.224 650 I CB 0.394 38.561 38.000 0.278 0.000 1.376 650 I HN 0.617 nan 8.210 nan 0.000 0.470 651 H N 5.470 124.571 119.070 0.053 0.000 2.562 651 H HA 0.519 5.075 4.556 -0.001 0.000 0.352 651 H C -0.637 174.677 175.328 -0.023 0.000 1.125 651 H CA 0.024 56.040 56.048 -0.053 0.000 1.379 651 H CB 0.519 30.244 29.762 -0.061 0.000 1.464 651 H HN 0.741 nan 8.280 nan 0.000 0.563 652 H N 1.546 120.438 119.070 -0.296 0.000 2.851 652 H HA 0.592 5.147 4.556 -0.001 0.000 0.372 652 H C 0.165 175.354 175.328 -0.230 0.000 1.158 652 H CA -0.772 55.165 56.048 -0.185 0.000 1.159 652 H CB 1.147 30.807 29.762 -0.171 0.000 1.757 652 H HN 1.004 nan 8.280 nan 0.000 0.546 653 G N 0.191 108.966 108.800 -0.041 0.000 2.829 653 G HA2 0.315 4.275 3.960 -0.001 0.000 0.628 653 G HA3 0.315 4.275 3.960 -0.001 0.000 0.628 653 G C 0.507 175.403 174.900 -0.006 0.000 1.412 653 G CA 0.401 45.453 45.100 -0.080 0.000 0.864 653 G HN 2.211 nan 8.290 nan 0.000 0.544 654 G N -0.349 108.496 108.800 0.075 0.000 2.564 654 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.273 654 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.273 654 G C 0.936 175.863 174.900 0.045 0.000 1.242 654 G CA 1.092 46.227 45.100 0.060 0.000 0.951 654 G HN 1.596 nan 8.290 nan 0.000 0.564 655 K N 0.948 121.286 120.400 -0.102 0.000 2.486 655 K HA 0.115 4.435 4.320 -0.001 0.000 0.194 655 K C 1.051 177.339 176.600 -0.520 0.000 1.033 655 K CA 1.160 57.324 56.287 -0.206 0.000 1.004 655 K CB 0.209 32.593 32.500 -0.193 0.000 0.798 655 K HN 0.535 nan 8.250 nan 0.000 0.495 656 E N 0.931 120.740 120.200 -0.651 0.000 3.105 656 E HA 0.187 4.536 4.350 -0.001 0.000 0.219 656 E C -1.131 175.022 176.600 -0.745 0.000 1.064 656 E CA -0.391 55.164 56.400 -1.408 0.000 1.342 656 E CB 1.149 30.200 29.700 -1.082 0.000 1.295 656 E HN 0.145 nan 8.360 nan 0.000 0.438 657 A N 1.395 123.950 122.820 -0.443 0.000 2.457 657 A HA 0.171 4.491 4.320 -0.001 0.000 0.298 657 A C 0.461 178.154 177.584 0.183 0.000 1.288 657 A CA -0.170 51.812 52.037 -0.092 0.000 0.956 657 A CB -0.128 18.681 19.000 -0.318 0.000 1.135 657 A HN 0.100 nan 8.150 nan 0.000 0.535 658 T N 2.743 117.440 114.554 0.238 0.000 2.888 658 T HA 0.433 4.782 4.350 -0.001 0.000 0.301 658 T C 0.663 175.384 174.700 0.035 0.000 1.001 658 T CA 0.864 63.093 62.100 0.215 0.000 1.147 658 T CB 0.219 69.153 68.868 0.110 0.000 0.931 658 T HN 1.156 nan 8.240 nan 0.000 0.541 659 S N 2.334 118.002 115.700 -0.052 0.000 2.643 659 S HA 0.670 5.139 4.470 -0.001 0.000 0.270 659 S C -1.509 172.954 174.600 -0.227 0.000 1.166 659 S CA -1.105 56.967 58.200 -0.213 0.000 0.815 659 S CB 1.255 64.200 63.200 -0.425 0.000 1.139 659 S HN 0.426 nan 8.310 nan 0.000 0.472 660 I N 2.084 122.500 120.570 -0.256 0.000 2.355 660 I HA 0.320 4.489 4.170 -0.001 0.000 0.288 660 I C -0.589 175.404 176.117 -0.206 0.000 0.999 660 I CA -0.670 60.497 61.300 -0.221 0.000 1.163 660 I CB 1.225 39.119 38.000 -0.177 0.000 1.316 660 I HN 0.657 nan 8.210 nan 0.000 0.454 661 L N 7.070 128.182 121.223 -0.185 0.000 2.433 661 L HA 0.285 4.624 4.340 -0.001 0.000 0.284 661 L C 0.051 176.868 176.870 -0.088 0.000 1.120 661 L CA -0.117 54.644 54.840 -0.133 0.000 0.879 661 L CB -0.063 41.930 42.059 -0.110 0.000 1.232 661 L HN 0.340 nan 8.230 nan 0.000 0.454 662 L N 6.409 127.606 121.223 -0.044 0.000 2.312 662 L HA 0.349 4.688 4.340 -0.001 0.000 0.281 662 L C -1.758 175.118 176.870 0.011 0.000 1.070 662 L CA -1.716 53.131 54.840 0.011 0.000 0.805 662 L CB 1.408 43.516 42.059 0.083 0.000 1.174 662 L HN 0.356 nan 8.230 nan 0.000 0.434 663 P HA 0.088 nan 4.420 nan 0.000 0.231 663 P C -0.294 177.004 177.300 -0.003 0.000 1.811 663 P CA -0.141 62.937 63.100 -0.036 0.000 1.051 663 P CB 0.181 31.834 31.700 -0.079 0.000 1.951 664 V N 3.504 123.425 119.914 0.012 0.000 2.637 664 V HA 0.132 4.251 4.120 -0.001 0.000 0.296 664 V C 1.082 177.163 176.094 -0.022 0.000 1.046 664 V CA 0.128 62.435 62.300 0.013 0.000 1.066 664 V CB 1.218 33.028 31.823 -0.021 0.000 0.968 664 V HN 0.338 nan 8.190 nan 0.000 0.483 665 V N 2.373 122.281 119.914 -0.012 0.000 3.040 665 V HA 0.687 4.806 4.120 -0.001 0.000 0.312 665 V C -0.414 175.674 176.094 -0.010 0.000 1.115 665 V CA -1.257 61.032 62.300 -0.019 0.000 0.998 665 V CB 1.866 33.681 31.823 -0.013 0.000 1.042 665 V HN 0.737 nan 8.190 nan 0.000 0.433 666 K N 0.000 120.394 120.400 -0.009 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543