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 3kii_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAXXXAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.584 177.584 0.001 0.000 1.274 9 A CA 0.000 52.038 52.037 0.001 0.000 0.836 9 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 10 S N 2.522 118.231 115.700 0.014 0.000 2.525 10 S HA 0.330 4.790 4.470 -0.017 0.000 0.285 10 S C -0.888 173.712 174.600 0.001 0.000 1.283 10 S CA -0.338 57.886 58.200 0.039 0.000 1.072 10 S CB 0.783 64.036 63.200 0.088 0.000 0.867 10 S HN 0.316 nan 8.310 nan 0.000 0.492 11 P HA -0.011 nan 4.420 nan 0.000 0.234 11 P C 0.366 177.390 177.300 -0.460 0.000 1.167 11 P CA 0.849 63.792 63.100 -0.263 0.000 0.763 11 P CB -0.099 31.380 31.700 -0.368 0.000 0.835 12 F N 0.474 120.354 119.950 -0.117 0.000 2.693 12 F HA 0.166 4.684 4.527 -0.016 0.000 0.303 12 F C 1.605 177.344 175.800 -0.102 0.000 1.097 12 F CA -0.668 57.219 58.000 -0.189 0.000 1.330 12 F CB -0.251 38.626 39.000 -0.205 0.000 1.067 12 F HN -0.152 nan 8.300 nan 0.000 0.565 13 R N 0.891 121.425 120.500 0.056 0.000 2.734 13 R HA 0.188 4.519 4.340 -0.017 0.000 0.266 13 R C -0.159 176.169 176.300 0.046 0.000 1.044 13 R CA -0.449 55.690 56.100 0.066 0.000 1.128 13 R CB 0.372 30.701 30.300 0.048 0.000 1.010 13 R HN 0.149 nan 8.270 nan 0.000 0.461 14 L N 1.858 123.123 121.223 0.069 0.000 2.485 14 L HA 0.071 4.401 4.340 -0.017 0.000 0.275 14 L C 0.816 177.730 176.870 0.073 0.000 1.207 14 L CA -0.034 54.849 54.840 0.072 0.000 0.855 14 L CB 0.360 42.461 42.059 0.070 0.000 1.114 14 L HN 0.863 nan 8.230 nan 0.000 0.485 15 A N 2.896 125.774 122.820 0.097 0.000 2.567 15 A HA 0.248 4.558 4.320 -0.017 0.000 0.240 15 A C 0.517 178.172 177.584 0.119 0.000 1.053 15 A CA 0.074 52.220 52.037 0.183 0.000 0.755 15 A CB -0.075 19.096 19.000 0.285 0.000 0.978 15 A HN 0.776 nan 8.150 nan 0.000 0.507 16 S N 1.797 117.559 115.700 0.102 0.000 2.713 16 S HA 0.628 5.088 4.470 -0.017 0.000 0.283 16 S C 1.236 175.846 174.600 0.017 0.000 1.161 16 S CA -0.209 58.019 58.200 0.048 0.000 0.999 16 S CB 1.507 64.728 63.200 0.034 0.000 1.039 16 S HN 1.605 nan 8.310 nan 0.000 0.548 17 A N 1.507 124.327 122.820 0.000 0.000 1.902 17 A HA 0.125 4.435 4.320 -0.017 0.000 0.217 17 A C 2.165 179.725 177.584 -0.040 0.000 1.181 17 A CA 1.797 53.823 52.037 -0.019 0.000 0.623 17 A CB -1.850 17.142 19.000 -0.014 0.000 0.818 17 A HN 1.186 nan 8.150 nan 0.000 0.443 18 G N -0.574 108.206 108.800 -0.032 0.000 2.440 18 G HA2 -0.237 3.713 3.960 -0.017 0.000 0.218 18 G HA3 -0.237 3.713 3.960 -0.017 0.000 0.218 18 G C 1.440 176.290 174.900 -0.082 0.000 1.154 18 G CA 1.024 46.097 45.100 -0.045 0.000 0.767 18 G HN 0.662 nan 8.290 nan 0.000 0.552 19 E N -0.146 120.002 120.200 -0.087 0.000 2.077 19 E HA -0.056 4.285 4.350 -0.017 0.000 0.193 19 E C 2.521 178.885 176.600 -0.394 0.000 0.989 19 E CA 0.569 56.855 56.400 -0.191 0.000 0.800 19 E CB -0.117 29.542 29.700 -0.069 0.000 0.746 19 E HN 0.501 nan 8.360 nan 0.000 0.452 20 I N 0.582 120.975 120.570 -0.295 0.000 2.252 20 I HA -0.230 3.930 4.170 -0.017 0.000 0.245 20 I C 2.417 178.405 176.117 -0.214 0.000 1.102 20 I CA 0.685 61.803 61.300 -0.304 0.000 1.385 20 I CB -0.131 37.776 38.000 -0.154 0.000 1.064 20 I HN -0.023 nan 8.210 nan 0.000 0.414 21 S N 0.142 115.758 115.700 -0.140 0.000 2.383 21 S HA -0.239 4.221 4.470 -0.017 0.000 0.229 21 S C 1.904 176.438 174.600 -0.110 0.000 1.030 21 S CA 1.534 59.676 58.200 -0.097 0.000 1.002 21 S CB -0.214 62.946 63.200 -0.066 0.000 0.829 21 S HN 0.380 nan 8.310 nan 0.000 0.467 22 E N 0.918 121.032 120.200 -0.143 0.000 2.107 22 E HA -0.043 4.297 4.350 -0.017 0.000 0.191 22 E C 1.899 178.406 176.600 -0.155 0.000 0.982 22 E CA 0.705 57.026 56.400 -0.131 0.000 0.809 22 E CB -0.245 29.381 29.700 -0.123 0.000 0.756 22 E HN 0.229 nan 8.360 nan 0.000 0.459 23 V N 0.954 120.717 119.914 -0.251 0.000 2.287 23 V HA -0.315 3.795 4.120 -0.017 0.000 0.248 23 V C 2.556 178.571 176.094 -0.131 0.000 1.053 23 V CA 2.285 64.443 62.300 -0.237 0.000 1.027 23 V CB -0.653 30.939 31.823 -0.385 0.000 0.646 23 V HN 0.414 nan 8.190 nan 0.000 0.447 24 Q N 0.029 119.759 119.800 -0.118 0.000 2.045 24 Q HA -0.229 4.101 4.340 -0.017 0.000 0.206 24 Q C 2.264 178.238 176.000 -0.044 0.000 0.991 24 Q CA 2.386 58.153 55.803 -0.060 0.000 0.851 24 Q CB -0.600 28.111 28.738 -0.045 0.000 0.911 24 Q HN 0.659 nan 8.270 nan 0.000 0.418 25 G N 0.745 109.514 108.800 -0.053 0.000 2.440 25 G HA2 -0.248 3.702 3.960 -0.017 0.000 0.218 25 G HA3 -0.248 3.702 3.960 -0.017 0.000 0.218 25 G C 1.392 176.272 174.900 -0.033 0.000 1.154 25 G CA 1.042 46.119 45.100 -0.039 0.000 0.767 25 G HN 0.391 nan 8.290 nan 0.000 0.552 26 I N 0.320 120.864 120.570 -0.042 0.000 2.179 26 I HA -0.126 4.034 4.170 -0.017 0.000 0.242 26 I C 2.730 178.837 176.117 -0.017 0.000 1.088 26 I CA 0.671 61.953 61.300 -0.029 0.000 1.357 26 I CB -0.212 37.767 38.000 -0.034 0.000 1.051 26 I HN 0.125 nan 8.210 nan 0.000 0.409 27 L N 0.040 121.252 121.223 -0.019 0.000 2.017 27 L HA -0.212 4.119 4.340 -0.017 0.000 0.208 27 L C 2.797 179.667 176.870 -0.001 0.000 1.073 27 L CA 1.450 56.288 54.840 -0.004 0.000 0.745 27 L CB -0.615 41.442 42.059 -0.002 0.000 0.894 27 L HN 0.159 nan 8.230 nan 0.000 0.432 28 R N -0.585 119.913 120.500 -0.004 0.000 2.080 28 R HA -0.150 4.180 4.340 -0.017 0.000 0.236 28 R C 2.314 178.612 176.300 -0.002 0.000 1.137 28 R CA 2.024 58.124 56.100 -0.000 0.000 0.943 28 R CB -0.752 29.547 30.300 -0.002 0.000 0.846 28 R HN 0.311 nan 8.270 nan 0.000 0.431 29 T N 0.726 115.276 114.554 -0.007 0.000 2.737 29 T HA -0.174 4.166 4.350 -0.017 0.000 0.269 29 T C 1.689 176.387 174.700 -0.003 0.000 1.040 29 T CA 1.567 63.663 62.100 -0.006 0.000 1.142 29 T CB -0.175 68.687 68.868 -0.009 0.000 0.861 29 T HN 0.399 nan 8.240 nan 0.000 0.456 30 A N 0.093 122.912 122.820 -0.001 0.000 2.238 30 A HA 0.498 4.808 4.320 -0.017 0.000 0.208 30 A C 1.907 179.492 177.584 0.003 0.000 1.177 30 A CA 0.880 52.918 52.037 0.002 0.000 0.804 30 A CB -0.721 18.282 19.000 0.005 0.000 0.823 30 A HN 0.758 nan 8.150 nan 0.000 0.482 31 G N -1.253 107.549 108.800 0.002 0.000 2.136 31 G HA2 -0.246 3.705 3.960 -0.017 0.000 0.242 31 G HA3 -0.246 3.705 3.960 -0.017 0.000 0.242 31 G C 0.578 175.480 174.900 0.004 0.000 0.989 31 G CA 0.504 45.605 45.100 0.002 0.000 0.682 31 G HN 0.523 nan 8.290 nan 0.000 0.522 32 L N -1.243 119.984 121.223 0.007 0.000 2.585 32 L HA 0.484 4.814 4.340 -0.017 0.000 0.226 32 L C 1.205 178.084 176.870 0.014 0.000 1.113 32 L CA 0.174 55.021 54.840 0.011 0.000 0.876 32 L CB 0.516 42.586 42.059 0.018 0.000 1.072 32 L HN 0.187 nan 8.230 nan 0.000 0.468 33 L N 0.587 121.818 121.223 0.014 0.000 2.783 33 L HA 0.495 4.825 4.340 -0.017 0.000 0.265 33 L C 0.710 177.598 176.870 0.030 0.000 1.398 33 L CA -0.200 54.654 54.840 0.023 0.000 0.802 33 L CB 0.412 42.486 42.059 0.025 0.000 1.126 33 L HN -0.042 nan 8.230 nan 0.000 0.529 34 G N 0.493 109.306 108.800 0.022 0.000 2.631 34 G HA2 0.256 4.206 3.960 -0.017 0.000 0.271 34 G HA3 0.256 4.206 3.960 -0.017 0.000 0.271 34 G C -1.537 173.390 174.900 0.045 0.000 1.302 34 G CA -0.418 44.697 45.100 0.024 0.000 1.002 34 G HN 0.368 nan 8.290 nan 0.000 0.519 35 P HA -0.015 nan 4.420 nan 0.000 0.223 35 P C 0.899 178.250 177.300 0.084 0.000 1.151 35 P CA 0.897 64.040 63.100 0.072 0.000 0.787 35 P CB 0.373 32.098 31.700 0.042 0.000 0.788 36 E N -0.393 119.830 120.200 0.039 0.000 2.479 36 E HA 0.064 4.404 4.350 -0.017 0.000 0.193 36 E C 0.456 177.042 176.600 -0.023 0.000 1.049 36 E CA 0.398 56.804 56.400 0.010 0.000 0.870 36 E CB 0.080 29.768 29.700 -0.020 0.000 0.944 36 E HN 0.316 nan 8.360 nan 0.000 0.492 37 K N 1.566 121.967 120.400 0.001 0.000 2.143 37 K HA 0.356 4.666 4.320 -0.017 0.000 0.272 37 K C 0.400 176.980 176.600 -0.034 0.000 1.001 37 K CA -0.477 55.795 56.287 -0.025 0.000 0.915 37 K CB 1.557 34.056 32.500 -0.002 0.000 1.047 37 K HN -0.167 nan 8.250 nan 0.000 0.458 38 R N 1.760 122.229 120.500 -0.051 0.000 2.686 38 R HA 0.456 4.786 4.340 -0.017 0.000 0.283 38 R C -0.191 176.089 176.300 -0.034 0.000 0.978 38 R CA -0.941 55.086 56.100 -0.122 0.000 0.897 38 R CB 1.309 31.543 30.300 -0.110 0.000 1.192 38 R HN 0.476 nan 8.270 nan 0.000 0.457 39 I N 2.524 123.045 120.570 -0.080 0.000 2.322 39 I HA 0.134 4.294 4.170 -0.017 0.000 0.292 39 I C 1.322 177.436 176.117 -0.004 0.000 1.060 39 I CA 0.060 61.349 61.300 -0.018 0.000 1.309 39 I CB 0.741 38.709 38.000 -0.053 0.000 1.415 39 I HN 0.710 nan 8.210 nan 0.000 0.492 40 A N 6.736 129.613 122.820 0.095 0.000 2.081 40 A HA 0.003 4.313 4.320 -0.017 0.000 0.214 40 A C 0.447 178.139 177.584 0.180 0.000 1.158 40 A CA 0.680 52.790 52.037 0.122 0.000 0.724 40 A CB 0.164 19.274 19.000 0.183 0.000 0.826 40 A HN 0.677 nan 8.150 nan 0.000 0.463 41 Y N -1.922 118.374 120.300 -0.007 0.000 2.480 41 Y HA 0.557 5.097 4.550 -0.017 0.000 0.329 41 Y C -1.846 173.926 175.900 -0.213 0.000 1.127 41 Y CA -1.143 56.846 58.100 -0.185 0.000 1.037 41 Y CB 1.164 39.357 38.460 -0.446 0.000 1.320 41 Y HN 0.124 nan 8.280 nan 0.000 0.446 42 L N 5.649 126.215 121.223 -1.096 0.000 2.470 42 L HA 0.988 5.318 4.340 -0.017 0.000 0.268 42 L C -1.175 175.144 176.870 -0.918 0.000 0.964 42 L CA -0.263 54.106 54.840 -0.786 0.000 0.839 42 L CB 1.988 43.874 42.059 -0.289 0.000 1.276 42 L HN 0.929 nan 8.230 nan 0.000 0.403 43 G N 3.036 111.457 108.800 -0.631 0.000 2.733 43 G HA2 0.467 4.417 3.960 -0.017 0.000 0.297 43 G HA3 0.467 4.417 3.960 -0.017 0.000 0.297 43 G C -1.701 173.027 174.900 -0.286 0.000 1.422 43 G CA -0.582 44.329 45.100 -0.315 0.000 0.942 43 G HN 0.505 nan 8.290 nan 0.000 0.510 44 V N 1.475 121.042 119.914 -0.578 0.000 2.843 44 V HA 0.442 4.552 4.120 -0.017 0.000 0.305 44 V C -0.057 175.770 176.094 -0.445 0.000 1.065 44 V CA -0.274 61.417 62.300 -1.014 0.000 1.116 44 V CB 0.938 32.144 31.823 -1.029 0.000 0.968 44 V HN 0.560 nan 8.190 nan 0.000 0.487 45 L N 4.870 125.861 121.223 -0.387 0.000 2.379 45 L HA 0.508 4.838 4.340 -0.017 0.000 0.269 45 L C 0.174 176.909 176.870 -0.226 0.000 1.084 45 L CA -0.101 54.616 54.840 -0.204 0.000 0.802 45 L CB 1.046 43.024 42.059 -0.134 0.000 1.175 45 L HN 0.640 nan 8.230 nan 0.000 0.448 46 D N 2.118 122.431 120.400 -0.145 0.000 2.339 46 D HA 0.249 4.879 4.640 -0.017 0.000 0.245 46 D C -2.141 174.032 176.300 -0.212 0.000 1.115 46 D CA -1.083 52.807 54.000 -0.182 0.000 0.917 46 D CB 0.393 41.197 40.800 0.008 0.000 1.192 46 D HN 0.262 nan 8.370 nan 0.000 0.428 47 P HA 0.110 nan 4.420 nan 0.000 0.268 47 P C -0.687 176.546 177.300 -0.112 0.000 1.208 47 P CA -0.191 62.752 63.100 -0.261 0.000 0.777 47 P CB 0.428 31.897 31.700 -0.385 0.000 0.875 48 A N 3.172 125.944 122.820 -0.079 0.000 2.466 48 A HA 0.124 4.434 4.320 -0.017 0.000 0.238 48 A C 0.471 178.028 177.584 -0.045 0.000 1.074 48 A CA -0.170 51.844 52.037 -0.038 0.000 0.774 48 A CB -0.062 18.919 19.000 -0.033 0.000 1.015 48 A HN 0.375 nan 8.150 nan 0.000 0.498 49 R N 0.555 121.015 120.500 -0.068 0.000 2.502 49 R HA 0.230 4.560 4.340 -0.017 0.000 0.292 49 R C 1.225 177.484 176.300 -0.068 0.000 0.998 49 R CA 1.203 57.223 56.100 -0.133 0.000 1.056 49 R CB -0.497 29.662 30.300 -0.235 0.000 0.939 49 R HN 1.759 nan 8.270 nan 0.000 0.411 50 G N 1.230 110.012 108.800 -0.031 0.000 2.160 50 G HA2 -0.302 3.648 3.960 -0.017 0.000 0.251 50 G HA3 -0.302 3.648 3.960 -0.017 0.000 0.251 50 G C 0.392 175.292 174.900 -0.001 0.000 1.008 50 G CA 0.360 45.459 45.100 -0.001 0.000 0.724 50 G HN 0.885 nan 8.290 nan 0.000 0.514 56 E N 0.462 120.641 120.200 -0.034 0.000 2.366 56 E HA 0.452 4.792 4.350 -0.017 0.000 0.266 56 E C -1.184 175.390 176.600 -0.043 0.000 1.051 56 E CA 0.021 56.389 56.400 -0.053 0.000 0.884 56 E CB 0.981 30.645 29.700 -0.060 0.000 1.006 56 E HN 0.402 nan 8.360 nan 0.000 0.417 57 D N 2.415 122.781 120.400 -0.058 0.000 2.389 57 D HA 0.154 4.784 4.640 -0.017 0.000 0.256 57 D C -1.063 175.205 176.300 -0.054 0.000 1.239 57 D CA -0.668 53.309 54.000 -0.039 0.000 0.925 57 D CB 0.587 41.367 40.800 -0.033 0.000 1.145 57 D HN 0.303 nan 8.370 nan 0.000 0.542 58 R N 3.345 123.831 120.500 -0.023 0.000 2.288 58 R HA 0.328 4.658 4.340 -0.017 0.000 0.330 58 R C 0.249 176.586 176.300 0.062 0.000 1.069 58 R CA -0.149 55.944 56.100 -0.013 0.000 0.941 58 R CB 0.610 30.952 30.300 0.071 0.000 0.998 58 R HN 0.329 nan 8.270 nan 0.000 0.452 59 R N 2.476 122.956 120.500 -0.033 0.000 2.589 59 R HA 0.472 4.802 4.340 -0.017 0.000 0.293 59 R C -0.653 175.612 176.300 -0.058 0.000 0.963 59 R CA -0.585 55.536 56.100 0.034 0.000 0.905 59 R CB 1.340 31.633 30.300 -0.011 0.000 1.144 59 R HN 0.255 nan 8.270 nan 0.000 0.459 60 F N 0.842 120.771 119.950 -0.034 0.000 2.532 60 F HA 0.475 4.992 4.527 -0.016 0.000 0.321 60 F C 0.347 176.137 175.800 -0.017 0.000 1.089 60 F CA -0.770 57.205 58.000 -0.042 0.000 0.926 60 F CB 1.837 40.800 39.000 -0.061 0.000 1.168 60 F HN 0.173 nan 8.300 nan 0.000 0.459 61 R N 2.296 122.877 120.500 0.135 0.000 2.514 61 R HA 0.868 5.198 4.340 -0.017 0.000 0.301 61 R C -2.077 174.282 176.300 0.098 0.000 0.962 61 R CA -0.545 55.640 56.100 0.141 0.000 0.882 61 R CB 1.776 32.167 30.300 0.152 0.000 1.143 61 R HN 0.569 nan 8.270 nan 0.000 0.452 62 V N 4.704 124.710 119.914 0.153 0.000 2.760 62 V HA 0.486 4.596 4.120 -0.017 0.000 0.309 62 V C -1.229 175.094 176.094 0.382 0.000 1.077 62 V CA -0.836 61.539 62.300 0.124 0.000 0.910 62 V CB 1.960 33.838 31.823 0.092 0.000 1.008 62 V HN 0.558 nan 8.190 nan 0.000 0.424 63 F N 4.364 124.467 119.950 0.255 0.000 2.388 63 F HA 0.638 5.155 4.527 -0.017 0.000 0.358 63 F C 0.111 175.996 175.800 0.141 0.000 1.122 63 F CA -1.758 56.379 58.000 0.228 0.000 1.056 63 F CB 1.215 40.394 39.000 0.298 0.000 1.155 63 F HN 0.210 nan 8.300 nan 0.000 0.461 64 I N 3.814 124.550 120.570 0.276 0.000 2.362 64 I HA 0.230 4.390 4.170 -0.017 0.000 0.289 64 I C -0.350 175.847 176.117 0.133 0.000 0.994 64 I CA -0.717 60.678 61.300 0.158 0.000 1.158 64 I CB 1.467 39.523 38.000 0.094 0.000 1.315 64 I HN 0.536 nan 8.210 nan 0.000 0.451 65 H N 5.812 124.898 119.070 0.026 0.000 2.483 65 H HA 0.334 4.880 4.556 -0.017 0.000 0.338 65 H C -1.134 174.183 175.328 -0.019 0.000 1.152 65 H CA -0.346 55.699 56.048 -0.006 0.000 1.264 65 H CB 1.472 31.228 29.762 -0.011 0.000 1.510 65 H HN 0.505 nan 8.280 nan 0.000 0.530 66 D N 4.204 124.118 120.400 -0.811 0.000 2.425 66 D HA 0.079 4.709 4.640 -0.017 0.000 0.240 66 D C 1.067 176.950 176.300 -0.695 0.000 1.080 66 D CA -0.453 53.226 54.000 -0.535 0.000 0.836 66 D CB 1.482 42.120 40.800 -0.271 0.000 1.125 66 D HN 0.510 nan 8.370 nan 0.000 0.525 67 V N 2.142 121.831 119.914 -0.374 0.000 3.305 67 V HA -0.068 4.042 4.120 -0.017 0.000 0.269 67 V C 1.531 177.581 176.094 -0.074 0.000 1.157 67 V CA 1.648 63.864 62.300 -0.140 0.000 1.157 67 V CB -0.648 31.173 31.823 -0.004 0.000 0.772 67 V HN 0.488 nan 8.190 nan 0.000 0.498 68 S N -0.457 115.186 115.700 -0.095 0.000 2.575 68 S HA 0.469 4.929 4.470 -0.017 0.000 0.215 68 S C 1.642 176.211 174.600 -0.052 0.000 0.966 68 S CA 0.622 58.791 58.200 -0.051 0.000 0.911 68 S CB 0.280 63.455 63.200 -0.042 0.000 0.780 68 S HN 1.739 nan 8.310 nan 0.000 0.514 69 G N 0.487 109.241 108.800 -0.078 0.000 2.176 69 G HA2 -0.049 3.902 3.960 -0.017 0.000 0.232 69 G HA3 -0.049 3.902 3.960 -0.017 0.000 0.232 69 G C 0.288 175.151 174.900 -0.062 0.000 0.986 69 G CA -0.160 44.909 45.100 -0.052 0.000 0.643 69 G HN 1.169 nan 8.290 nan 0.000 0.522 70 A N 0.187 122.956 122.820 -0.085 0.000 2.346 70 A HA 0.728 5.038 4.320 -0.017 0.000 0.252 70 A C 0.885 178.419 177.584 -0.083 0.000 1.089 70 A CA -0.032 51.961 52.037 -0.074 0.000 0.797 70 A CB 0.293 19.250 19.000 -0.070 0.000 1.047 70 A HN 0.526 nan 8.150 nan 0.000 0.494 71 R N 1.011 121.470 120.500 -0.068 0.000 2.590 71 R HA 0.256 4.586 4.340 -0.017 0.000 0.274 71 R C -2.209 174.045 176.300 -0.078 0.000 1.061 71 R CA -1.065 54.991 56.100 -0.073 0.000 1.081 71 R CB -0.007 30.250 30.300 -0.071 0.000 0.984 71 R HN 0.579 nan 8.270 nan 0.000 0.448 72 P HA 0.069 nan 4.420 nan 0.000 0.277 72 P C -1.059 176.200 177.300 -0.069 0.000 1.271 72 P CA -0.328 62.736 63.100 -0.061 0.000 0.795 72 P CB 0.832 32.507 31.700 -0.042 0.000 1.101 73 Q N -0.617 119.173 119.800 -0.017 0.000 2.394 73 Q HA 0.387 4.717 4.340 -0.017 0.000 0.273 73 Q C -0.707 175.346 176.000 0.088 0.000 1.089 73 Q CA -0.726 55.081 55.803 0.008 0.000 0.812 73 Q CB 2.614 31.369 28.738 0.028 0.000 1.353 73 Q HN 0.460 nan 8.270 nan 0.000 0.438 74 E N 1.672 121.937 120.200 0.107 0.000 2.151 74 E HA 0.466 4.806 4.350 -0.017 0.000 0.275 74 E C -1.496 175.229 176.600 0.209 0.000 0.936 74 E CA -0.544 56.014 56.400 0.264 0.000 0.777 74 E CB 1.352 31.218 29.700 0.276 0.000 1.108 74 E HN 0.298 nan 8.360 nan 0.000 0.401 75 V N 3.659 123.715 119.914 0.236 0.000 2.638 75 V HA 0.327 4.437 4.120 -0.017 0.000 0.306 75 V C -0.325 175.862 176.094 0.156 0.000 1.052 75 V CA -0.781 61.612 62.300 0.155 0.000 0.885 75 V CB 2.185 34.078 31.823 0.117 0.000 0.999 75 V HN 0.725 nan 8.190 nan 0.000 0.424 76 T N 4.032 118.657 114.554 0.118 0.000 2.794 76 T HA 0.634 4.974 4.350 -0.017 0.000 0.280 76 T C -0.407 174.345 174.700 0.086 0.000 0.987 76 T CA -0.317 61.847 62.100 0.106 0.000 0.993 76 T CB 1.608 70.527 68.868 0.086 0.000 0.939 76 T HN 0.361 nan 8.240 nan 0.000 0.449 77 V N 2.683 122.659 119.914 0.103 0.000 2.581 77 V HA 0.582 4.692 4.120 -0.017 0.000 0.303 77 V C 0.168 176.324 176.094 0.103 0.000 1.041 77 V CA -0.797 61.553 62.300 0.084 0.000 0.907 77 V CB 2.108 33.969 31.823 0.063 0.000 0.994 77 V HN 0.889 nan 8.190 nan 0.000 0.442 78 S N 3.283 119.023 115.700 0.066 0.000 2.423 78 S HA 0.246 4.706 4.470 -0.017 0.000 0.317 78 S C 0.645 175.278 174.600 0.055 0.000 1.065 78 S CA -0.297 57.943 58.200 0.066 0.000 1.111 78 S CB 1.325 64.546 63.200 0.035 0.000 0.968 78 S HN 0.602 nan 8.310 nan 0.000 0.474 79 V N 5.399 125.366 119.914 0.088 0.000 2.591 79 V HA -0.060 4.050 4.120 -0.017 0.000 0.249 79 V C 2.111 178.216 176.094 0.018 0.000 1.053 79 V CA 2.535 64.848 62.300 0.022 0.000 1.068 79 V CB -0.792 31.021 31.823 -0.017 0.000 0.689 79 V HN 1.006 nan 8.190 nan 0.000 0.462 80 T N 1.070 115.646 114.554 0.037 0.000 2.684 80 T HA -0.160 4.181 4.350 -0.017 0.000 0.267 80 T C 1.551 176.255 174.700 0.006 0.000 1.036 80 T CA 1.930 64.040 62.100 0.017 0.000 1.148 80 T CB -0.323 68.553 68.868 0.013 0.000 0.863 80 T HN 0.492 nan 8.240 nan 0.000 0.436 81 N N 0.245 118.950 118.700 0.008 0.000 2.280 81 N HA 0.172 4.902 4.740 -0.017 0.000 0.192 81 N C 1.296 176.807 175.510 0.000 0.000 1.109 81 N CA 0.665 53.717 53.050 0.003 0.000 0.855 81 N CB 0.488 38.978 38.487 0.004 0.000 0.974 81 N HN 0.552 nan 8.380 nan 0.000 0.482 82 G N 1.547 110.346 108.800 -0.002 0.000 2.221 82 G HA2 -0.266 3.684 3.960 -0.017 0.000 0.265 82 G HA3 -0.266 3.684 3.960 -0.017 0.000 0.265 82 G C 0.129 175.027 174.900 -0.004 0.000 1.041 82 G CA 0.963 46.058 45.100 -0.008 0.000 0.807 82 G HN 0.493 nan 8.290 nan 0.000 0.502 83 T N -3.485 111.072 114.554 0.004 0.000 2.916 83 T HA 0.701 5.041 4.350 -0.017 0.000 0.292 83 T C -0.275 174.434 174.700 0.015 0.000 1.055 83 T CA -0.643 61.461 62.100 0.008 0.000 1.009 83 T CB 2.791 71.664 68.868 0.009 0.000 1.118 83 T HN 0.750 nan 8.240 nan 0.000 0.497 84 V N 3.603 123.526 119.914 0.016 0.000 2.406 84 V HA 0.183 4.293 4.120 -0.017 0.000 0.272 84 V C 0.998 177.108 176.094 0.025 0.000 1.043 84 V CA -0.670 61.644 62.300 0.024 0.000 0.915 84 V CB 0.497 32.333 31.823 0.022 0.000 0.988 84 V HN 0.809 nan 8.190 nan 0.000 0.466 85 I N 3.374 123.963 120.570 0.032 0.000 2.277 85 I HA 0.015 4.175 4.170 -0.017 0.000 0.243 85 I C 1.101 177.235 176.117 0.029 0.000 1.094 85 I CA 1.220 62.537 61.300 0.029 0.000 1.393 85 I CB -0.468 37.551 38.000 0.032 0.000 1.078 85 I HN 0.783 nan 8.210 nan 0.000 0.417 86 S N -0.337 115.387 115.700 0.040 0.000 2.550 86 S HA 0.839 5.299 4.470 -0.017 0.000 0.270 86 S C -0.854 173.777 174.600 0.052 0.000 1.145 86 S CA -0.596 57.628 58.200 0.041 0.000 0.852 86 S CB 2.700 65.926 63.200 0.043 0.000 1.119 86 S HN 0.320 nan 8.310 nan 0.000 0.465 87 A N 1.158 124.004 122.820 0.043 0.000 2.429 87 A HA 0.822 5.132 4.320 -0.017 0.000 0.289 87 A C -1.182 176.422 177.584 0.033 0.000 1.043 87 A CA -0.781 51.284 52.037 0.046 0.000 0.722 87 A CB 1.545 20.566 19.000 0.035 0.000 1.243 87 A HN 1.718 nan 8.150 nan 0.000 0.415 88 V N 2.165 122.100 119.914 0.036 0.000 2.709 88 V HA 0.525 4.635 4.120 -0.017 0.000 0.308 88 V C -0.283 175.805 176.094 -0.010 0.000 1.062 88 V CA -0.542 61.765 62.300 0.013 0.000 0.901 88 V CB 1.749 33.582 31.823 0.016 0.000 1.003 88 V HN 1.008 nan 8.190 nan 0.000 0.425 89 E N 4.808 124.991 120.200 -0.028 0.000 2.316 89 E HA 0.419 4.759 4.350 -0.017 0.000 0.275 89 E C -1.125 175.422 176.600 -0.090 0.000 1.029 89 E CA -0.415 55.953 56.400 -0.053 0.000 0.871 89 E CB 0.975 30.648 29.700 -0.045 0.000 1.022 89 E HN 0.648 nan 8.360 nan 0.000 0.418 90 L N 3.710 124.848 121.223 -0.142 0.000 2.307 90 L HA 0.254 4.584 4.340 -0.017 0.000 0.282 90 L C 0.088 176.848 176.870 -0.183 0.000 1.051 90 L CA -0.719 53.988 54.840 -0.222 0.000 0.804 90 L CB 1.189 43.003 42.059 -0.408 0.000 1.197 90 L HN 0.514 nan 8.230 nan 0.000 0.431 91 D N 1.635 121.937 120.400 -0.165 0.000 2.411 91 D HA 0.051 4.681 4.640 -0.017 0.000 0.225 91 D C 1.205 177.406 176.300 -0.166 0.000 1.156 91 D CA -0.254 53.668 54.000 -0.130 0.000 0.874 91 D CB 1.377 42.124 40.800 -0.088 0.000 1.034 91 D HN 0.681 nan 8.370 nan 0.000 0.502 92 T N 0.901 115.351 114.554 -0.174 0.000 2.995 92 T HA -0.046 4.294 4.350 -0.017 0.000 0.269 92 T C 1.856 176.489 174.700 -0.112 0.000 1.091 92 T CA 0.784 62.765 62.100 -0.199 0.000 1.128 92 T CB 0.003 68.764 68.868 -0.177 0.000 0.891 92 T HN 0.266 nan 8.240 nan 0.000 0.492 93 A N 1.555 124.331 122.820 -0.072 0.000 1.972 93 A HA 0.351 4.661 4.320 -0.017 0.000 0.219 93 A C 2.689 180.267 177.584 -0.010 0.000 1.169 93 A CA 1.707 53.724 52.037 -0.034 0.000 0.635 93 A CB -1.180 17.802 19.000 -0.031 0.000 0.810 93 A HN 0.730 nan 8.150 nan 0.000 0.446 94 A N -0.756 122.048 122.820 -0.025 0.000 1.850 94 A HA 0.066 4.376 4.320 -0.017 0.000 0.212 94 A C 2.279 179.890 177.584 0.044 0.000 1.208 94 A CA 2.053 54.093 52.037 0.005 0.000 0.609 94 A CB -0.951 18.036 19.000 -0.022 0.000 0.860 94 A HN 0.715 nan 8.150 nan 0.000 0.448 95 T N -3.716 110.782 114.554 -0.092 0.000 3.086 95 T HA 0.477 4.817 4.350 -0.017 0.000 0.250 95 T C 0.825 175.211 174.700 -0.524 0.000 1.074 95 T CA 0.874 62.839 62.100 -0.226 0.000 0.988 95 T CB -0.042 68.697 68.868 -0.216 0.000 0.988 95 T HN 1.936 nan 8.240 nan 0.000 0.530 96 G N 0.943 109.556 108.800 -0.311 0.000 2.587 96 G HA2 0.074 4.024 3.960 -0.017 0.000 0.686 96 G HA3 0.074 4.024 3.960 -0.017 0.000 0.686 96 G C -1.181 173.562 174.900 -0.260 0.000 1.236 96 G CA -1.078 43.887 45.100 -0.225 0.000 0.820 96 G HN 0.240 nan 8.290 nan 0.000 0.645 97 E N -0.239 119.880 120.200 -0.134 0.000 2.349 97 E HA 0.516 4.856 4.350 -0.017 0.000 0.262 97 E C 0.744 177.280 176.600 -0.106 0.000 1.088 97 E CA -0.694 55.621 56.400 -0.141 0.000 0.899 97 E CB 1.150 30.802 29.700 -0.079 0.000 1.044 97 E HN 0.365 nan 8.360 nan 0.000 0.420 98 L N 2.313 123.475 121.223 -0.102 0.000 2.476 98 L HA 0.134 4.464 4.340 -0.017 0.000 0.264 98 L C -1.979 174.914 176.870 0.038 0.000 1.224 98 L CA -1.236 53.618 54.840 0.024 0.000 0.821 98 L CB -0.890 41.199 42.059 0.050 0.000 1.101 98 L HN 0.290 nan 8.230 nan 0.000 0.488 99 P HA 0.006 nan 4.420 nan 0.000 0.268 99 P C -0.787 176.508 177.300 -0.008 0.000 1.208 99 P CA -0.342 62.787 63.100 0.049 0.000 0.777 99 P CB 0.257 32.025 31.700 0.113 0.000 0.875 100 V N 3.307 123.189 119.914 -0.054 0.000 2.617 100 V HA -0.081 4.029 4.120 -0.017 0.000 0.304 100 V C 0.799 176.897 176.094 0.006 0.000 1.040 100 V CA 0.527 62.807 62.300 -0.034 0.000 1.149 100 V CB -0.622 31.169 31.823 -0.053 0.000 0.914 100 V HN 0.305 nan 8.190 nan 0.000 0.487 101 L N 3.743 124.925 121.223 -0.069 0.000 2.334 101 L HA 0.303 4.633 4.340 -0.017 0.000 0.277 101 L C 1.558 178.243 176.870 -0.309 0.000 1.075 101 L CA -0.082 54.676 54.840 -0.136 0.000 0.804 101 L CB 0.977 42.943 42.059 -0.155 0.000 1.174 101 L HN 0.739 nan 8.230 nan 0.000 0.438 102 E N 1.863 121.829 120.200 -0.390 0.000 2.118 102 E HA -0.264 4.076 4.350 -0.017 0.000 0.195 102 E C 1.591 177.883 176.600 -0.512 0.000 0.992 102 E CA 1.799 57.757 56.400 -0.736 0.000 0.804 102 E CB 0.215 29.754 29.700 -0.268 0.000 0.741 102 E HN 0.786 nan 8.360 nan 0.000 0.458 103 E N 0.119 120.185 120.200 -0.224 0.000 2.338 103 E HA -0.208 4.132 4.350 -0.017 0.000 0.197 103 E C 1.393 177.976 176.600 -0.028 0.000 1.007 103 E CA 1.100 57.451 56.400 -0.082 0.000 0.849 103 E CB -0.109 29.568 29.700 -0.038 0.000 0.774 103 E HN 0.376 nan 8.360 nan 0.000 0.506 104 E N -0.199 119.973 120.200 -0.047 0.000 2.435 104 E HA -0.038 4.302 4.350 -0.017 0.000 0.195 104 E C 1.226 177.967 176.600 0.234 0.000 1.029 104 E CA 0.091 56.532 56.400 0.068 0.000 0.865 104 E CB -0.038 29.692 29.700 0.050 0.000 0.833 104 E HN 0.244 nan 8.360 nan 0.000 0.510 105 F N 2.210 122.206 119.950 0.077 0.000 2.095 105 F HA -0.195 4.322 4.527 -0.017 0.000 0.298 105 F C 2.400 178.235 175.800 0.059 0.000 1.104 105 F CA 1.474 59.525 58.000 0.085 0.000 1.232 105 F CB -1.048 38.009 39.000 0.095 0.000 0.987 105 F HN 0.161 nan 8.300 nan 0.000 0.475 106 E N -0.091 120.263 120.200 0.256 0.000 2.347 106 E HA -0.087 4.253 4.350 -0.017 0.000 0.196 106 E C 2.026 178.680 176.600 0.090 0.000 1.008 106 E CA 1.031 57.517 56.400 0.144 0.000 0.852 106 E CB -0.666 29.104 29.700 0.116 0.000 0.783 106 E HN 0.234 nan 8.360 nan 0.000 0.505 107 V N 1.431 121.400 119.914 0.092 0.000 2.427 107 V HA -0.218 3.892 4.120 -0.017 0.000 0.248 107 V C 2.414 178.512 176.094 0.006 0.000 1.051 107 V CA 1.304 63.632 62.300 0.047 0.000 1.048 107 V CB -0.042 31.810 31.823 0.049 0.000 0.666 107 V HN 0.211 nan 8.190 nan 0.000 0.456 108 V N 0.006 119.926 119.914 0.010 0.000 2.295 108 V HA -0.306 3.804 4.120 -0.017 0.000 0.246 108 V C 2.399 178.412 176.094 -0.135 0.000 1.049 108 V CA 2.424 64.687 62.300 -0.062 0.000 1.024 108 V CB -0.611 31.194 31.823 -0.030 0.000 0.648 108 V HN 0.666 nan 8.190 nan 0.000 0.447 109 E N -0.071 120.087 120.200 -0.070 0.000 2.051 109 E HA -0.283 4.057 4.350 -0.017 0.000 0.192 109 E C 2.305 178.863 176.600 -0.071 0.000 0.991 109 E CA 1.651 58.008 56.400 -0.072 0.000 0.799 109 E CB -0.124 29.581 29.700 0.009 0.000 0.748 109 E HN 0.682 nan 8.360 nan 0.000 0.449 110 Q N 0.156 119.938 119.800 -0.030 0.000 2.061 110 Q HA -0.176 4.154 4.340 -0.017 0.000 0.204 110 Q C 2.446 178.422 176.000 -0.039 0.000 0.984 110 Q CA 1.644 57.438 55.803 -0.014 0.000 0.846 110 Q CB -0.109 28.634 28.738 0.009 0.000 0.902 110 Q HN 0.365 nan 8.270 nan 0.000 0.421 111 L N 0.082 121.264 121.223 -0.067 0.000 2.056 111 L HA -0.178 4.152 4.340 -0.017 0.000 0.207 111 L C 2.224 179.014 176.870 -0.132 0.000 1.078 111 L CA 0.802 55.594 54.840 -0.080 0.000 0.749 111 L CB -0.297 41.714 42.059 -0.080 0.000 0.901 111 L HN 0.246 nan 8.230 nan 0.000 0.433 112 L N -0.451 120.612 121.223 -0.267 0.000 2.201 112 L HA -0.137 4.193 4.340 -0.017 0.000 0.212 112 L C 2.778 179.544 176.870 -0.175 0.000 1.105 112 L CA 0.801 55.352 54.840 -0.481 0.000 0.775 112 L CB -0.654 40.648 42.059 -1.261 0.000 0.913 112 L HN 0.222 nan 8.230 nan 0.000 0.440 113 A N -0.195 122.599 122.820 -0.043 0.000 2.019 113 A HA -0.163 4.147 4.320 -0.017 0.000 0.219 113 A C 2.084 179.729 177.584 0.101 0.000 1.164 113 A CA 1.991 54.090 52.037 0.102 0.000 0.644 113 A CB -0.663 18.378 19.000 0.068 0.000 0.805 113 A HN 0.486 nan 8.150 nan 0.000 0.449 114 T N -3.128 111.459 114.554 0.054 0.000 3.174 114 T HA 0.190 4.530 4.350 -0.017 0.000 0.269 114 T C -0.022 174.712 174.700 0.056 0.000 1.017 114 T CA -0.088 62.044 62.100 0.054 0.000 0.899 114 T CB -0.110 68.777 68.868 0.031 0.000 1.077 114 T HN 0.341 nan 8.240 nan 0.000 0.552 115 D N 1.022 121.470 120.400 0.079 0.000 2.249 115 D HA 0.333 4.963 4.640 -0.017 0.000 0.246 115 D C 1.232 177.606 176.300 0.124 0.000 1.114 115 D CA 0.248 54.298 54.000 0.083 0.000 0.854 115 D CB 1.722 42.561 40.800 0.065 0.000 1.132 115 D HN 0.405 nan 8.370 nan 0.000 0.461 116 E N 4.188 124.435 120.200 0.079 0.000 2.150 116 E HA -0.201 4.139 4.350 -0.017 0.000 0.193 116 E C 1.953 178.596 176.600 0.071 0.000 0.985 116 E CA 1.136 57.575 56.400 0.064 0.000 0.814 116 E CB -0.360 29.362 29.700 0.037 0.000 0.752 116 E HN 0.618 nan 8.360 nan 0.000 0.466 117 R N -1.263 119.288 120.500 0.085 0.000 2.075 117 R HA -0.027 4.303 4.340 -0.017 0.000 0.232 117 R C 2.382 178.755 176.300 0.122 0.000 1.126 117 R CA 1.363 57.511 56.100 0.080 0.000 0.963 117 R CB -0.343 30.000 30.300 0.071 0.000 0.858 117 R HN 0.737 nan 8.270 nan 0.000 0.435 118 W N 1.552 122.834 121.300 -0.031 0.000 2.355 118 W HA -0.157 4.493 4.660 -0.017 0.000 0.309 118 W C 1.508 178.015 176.519 -0.020 0.000 1.206 118 W CA 1.302 58.631 57.345 -0.027 0.000 1.284 118 W CB -0.176 29.270 29.460 -0.022 0.000 1.145 118 W HN 0.080 nan 8.180 nan 0.000 0.502 119 L N 0.793 122.094 121.223 0.130 0.000 2.079 119 L HA -0.261 4.069 4.340 -0.017 0.000 0.210 119 L C 2.607 179.438 176.870 -0.064 0.000 1.081 119 L CA 1.691 56.538 54.840 0.012 0.000 0.752 119 L CB -0.896 41.202 42.059 0.065 0.000 0.896 119 L HN -0.068 nan 8.230 nan 0.000 0.433 120 K N 0.293 120.667 120.400 -0.043 0.000 2.057 120 K HA -0.170 4.140 4.320 -0.017 0.000 0.206 120 K C 2.155 178.689 176.600 -0.110 0.000 1.050 120 K CA 1.249 57.501 56.287 -0.059 0.000 0.935 120 K CB -0.057 32.424 32.500 -0.032 0.000 0.715 120 K HN 0.271 nan 8.250 nan 0.000 0.439 121 A N 1.153 123.872 122.820 -0.167 0.000 1.898 121 A HA -0.093 4.217 4.320 -0.017 0.000 0.216 121 A C 2.060 179.475 177.584 -0.282 0.000 1.181 121 A CA 1.133 53.031 52.037 -0.232 0.000 0.620 121 A CB -0.500 18.311 19.000 -0.316 0.000 0.819 121 A HN 0.295 nan 8.150 nan 0.000 0.442 122 L N -0.950 120.059 121.223 -0.356 0.000 2.109 122 L HA -0.134 4.196 4.340 -0.017 0.000 0.207 122 L C 3.067 179.837 176.870 -0.167 0.000 1.086 122 L CA 0.952 55.612 54.840 -0.300 0.000 0.760 122 L CB -0.601 41.264 42.059 -0.323 0.000 0.910 122 L HN 0.432 nan 8.230 nan 0.000 0.437 123 A N 0.317 123.060 122.820 -0.129 0.000 1.933 123 A HA -0.137 4.173 4.320 -0.017 0.000 0.218 123 A C 2.540 180.078 177.584 -0.077 0.000 1.175 123 A CA 1.540 53.528 52.037 -0.082 0.000 0.628 123 A CB -0.617 18.348 19.000 -0.058 0.000 0.814 123 A HN 0.382 nan 8.150 nan 0.000 0.444 124 A N -0.326 122.441 122.820 -0.088 0.000 2.024 124 A HA -0.162 4.148 4.320 -0.017 0.000 0.220 124 A C 2.105 179.644 177.584 -0.074 0.000 1.164 124 A CA 1.622 53.614 52.037 -0.076 0.000 0.643 124 A CB -0.333 18.618 19.000 -0.081 0.000 0.806 124 A HN 0.560 nan 8.150 nan 0.000 0.451 125 R N -1.030 119.417 120.500 -0.089 0.000 2.397 125 R HA 0.119 4.449 4.340 -0.017 0.000 0.241 125 R C -0.295 175.965 176.300 -0.067 0.000 0.914 125 R CA 0.143 56.196 56.100 -0.078 0.000 1.071 125 R CB 0.226 30.466 30.300 -0.100 0.000 1.116 125 R HN 0.465 nan 8.270 nan 0.000 0.524 126 N N 1.044 119.706 118.700 -0.064 0.000 2.740 126 N HA -0.187 4.543 4.740 -0.017 0.000 0.248 126 N C -1.021 174.457 175.510 -0.053 0.000 1.062 126 N CA 0.982 54.001 53.050 -0.051 0.000 0.704 126 N CB -1.336 37.128 38.487 -0.038 0.000 0.968 126 N HN 0.284 nan 8.380 nan 0.000 0.547 127 L N 0.211 121.392 121.223 -0.070 0.000 2.307 127 L HA 0.330 4.660 4.340 -0.017 0.000 0.284 127 L C 0.638 177.476 176.870 -0.053 0.000 1.023 127 L CA -0.865 53.934 54.840 -0.068 0.000 0.810 127 L CB 1.524 43.526 42.059 -0.094 0.000 1.231 127 L HN -0.086 nan 8.230 nan 0.000 0.423 128 D N 2.241 122.622 120.400 -0.032 0.000 2.339 128 D HA -0.006 4.624 4.640 -0.017 0.000 0.256 128 D C 0.831 177.133 176.300 0.002 0.000 1.214 128 D CA 0.104 54.097 54.000 -0.012 0.000 0.877 128 D CB 1.890 42.687 40.800 -0.005 0.000 1.111 128 D HN 0.305 nan 8.370 nan 0.000 0.478 129 V N 4.103 124.028 119.914 0.019 0.000 2.453 129 V HA -0.270 3.840 4.120 -0.017 0.000 0.252 129 V C 2.138 178.274 176.094 0.070 0.000 1.068 129 V CA 2.904 65.242 62.300 0.063 0.000 1.070 129 V CB -0.516 31.362 31.823 0.092 0.000 0.664 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -0.976 114.751 115.700 0.046 0.000 2.469 130 S HA -0.158 4.302 4.470 -0.017 0.000 0.238 130 S C 1.737 176.357 174.600 0.034 0.000 0.998 130 S CA 1.352 59.577 58.200 0.042 0.000 0.957 130 S CB -0.411 62.809 63.200 0.032 0.000 0.764 130 S HN 0.754 nan 8.310 nan 0.000 0.514 131 K N 0.542 120.958 120.400 0.026 0.000 2.358 131 K HA 0.296 4.606 4.320 -0.017 0.000 0.197 131 K C -0.699 175.910 176.600 0.015 0.000 1.025 131 K CA -0.051 56.242 56.287 0.009 0.000 1.104 131 K CB 0.932 33.427 32.500 -0.009 0.000 0.855 131 K HN 0.211 nan 8.250 nan 0.000 0.531 132 V N 3.535 123.479 119.914 0.051 0.000 2.334 132 V HA 0.193 4.303 4.120 -0.017 0.000 0.267 132 V C 0.160 176.322 176.094 0.113 0.000 1.040 132 V CA -0.750 61.603 62.300 0.087 0.000 0.866 132 V CB 0.695 32.595 31.823 0.129 0.000 1.019 132 V HN 0.154 nan 8.190 nan 0.000 0.468 133 R N 3.334 123.881 120.500 0.078 0.000 2.490 133 R HA 0.565 4.895 4.340 -0.017 0.000 0.278 133 R C -0.734 175.651 176.300 0.143 0.000 1.069 133 R CA -0.413 55.722 56.100 0.058 0.000 1.080 133 R CB 1.672 31.938 30.300 -0.057 0.000 1.030 133 R HN 0.443 nan 8.270 nan 0.000 0.491 134 V N 2.036 122.021 119.914 0.117 0.000 2.443 134 V HA 0.356 4.466 4.120 -0.017 0.000 0.293 134 V C 0.114 176.282 176.094 0.123 0.000 1.021 134 V CA -1.225 61.168 62.300 0.156 0.000 0.848 134 V CB 1.625 33.485 31.823 0.061 0.000 0.998 134 V HN 0.860 nan 8.190 nan 0.000 0.424 135 A N 7.750 130.700 122.820 0.217 0.000 2.454 135 A HA 0.574 4.884 4.320 -0.017 0.000 0.260 135 A C -2.151 175.530 177.584 0.162 0.000 1.106 135 A CA -1.083 51.065 52.037 0.185 0.000 0.780 135 A CB 0.017 19.246 19.000 0.380 0.000 1.044 135 A HN 0.598 nan 8.150 nan 0.000 0.498 136 P HA 0.332 nan 4.420 nan 0.000 0.280 136 P C -0.988 176.400 177.300 0.148 0.000 1.386 136 P CA 0.223 63.375 63.100 0.087 0.000 0.899 136 P CB 0.312 32.048 31.700 0.060 0.000 1.098 137 L N 2.555 123.928 121.223 0.250 0.000 2.317 137 L HA 0.388 4.718 4.340 -0.017 0.000 0.281 137 L C 1.091 178.227 176.870 0.442 0.000 1.024 137 L CA -0.886 54.198 54.840 0.407 0.000 0.810 137 L CB 1.608 44.060 42.059 0.654 0.000 1.240 137 L HN 0.282 nan 8.230 nan 0.000 0.427 138 S N 1.170 117.220 115.700 0.584 0.000 2.568 138 S HA 0.221 4.681 4.470 -0.017 0.000 0.282 138 S C 0.869 175.718 174.600 0.415 0.000 1.338 138 S CA -0.062 58.383 58.200 0.408 0.000 1.045 138 S CB 1.480 64.929 63.200 0.416 0.000 0.873 138 S HN 0.744 nan 8.310 nan 0.000 0.516 139 A N 3.153 126.098 122.820 0.209 0.000 2.044 139 A HA 0.576 4.886 4.320 -0.017 0.000 0.213 139 A C 1.549 179.307 177.584 0.291 0.000 1.169 139 A CA 0.625 52.724 52.037 0.103 0.000 0.724 139 A CB -1.453 17.510 19.000 -0.061 0.000 0.840 139 A HN 2.312 nan 8.150 nan 0.000 0.463 140 G N -1.651 107.302 108.800 0.255 0.000 2.645 140 G HA2 -0.053 3.897 3.960 -0.017 0.000 0.239 140 G HA3 -0.053 3.897 3.960 -0.017 0.000 0.239 140 G C -0.400 174.463 174.900 -0.061 0.000 1.331 140 G CA -0.197 44.998 45.100 0.158 0.000 0.890 140 G HN 1.142 nan 8.290 nan 0.000 0.572 141 V N 0.831 120.459 119.914 -0.476 0.000 2.482 141 V HA 0.749 4.859 4.120 -0.017 0.000 0.295 141 V C -0.239 175.330 176.094 -0.875 0.000 1.026 141 V CA -0.342 61.700 62.300 -0.431 0.000 0.856 141 V CB 1.107 32.747 31.823 -0.305 0.000 1.001 141 V HN 0.737 nan 8.190 nan 0.000 0.424 142 F N 1.652 121.603 119.950 0.002 0.000 3.345 142 F HA 0.435 4.952 4.527 -0.017 0.000 0.253 142 F C 1.535 177.232 175.800 -0.172 0.000 1.576 142 F CA -0.564 57.396 58.000 -0.068 0.000 0.970 142 F CB 0.367 39.344 39.000 -0.038 0.000 1.808 142 F HN 0.444 nan 8.300 nan 0.000 0.354 143 E N 0.530 120.611 120.200 -0.197 0.000 2.465 143 E HA -0.017 4.323 4.350 -0.017 0.000 0.191 143 E C -1.001 175.442 176.600 -0.261 0.000 1.053 143 E CA 0.298 56.537 56.400 -0.268 0.000 0.869 143 E CB -0.526 29.004 29.700 -0.283 0.000 0.977 143 E HN 0.527 nan 8.360 nan 0.000 0.483 144 Y N 1.180 121.525 120.300 0.076 0.000 2.650 144 Y HA 0.442 4.982 4.550 -0.017 0.000 0.343 144 Y C 1.569 177.486 175.900 0.028 0.000 1.078 144 Y CA -0.157 57.976 58.100 0.055 0.000 1.356 144 Y CB 0.830 39.319 38.460 0.049 0.000 1.204 144 Y HN 0.071 nan 8.280 nan 0.000 0.508 145 A N 2.345 125.241 122.820 0.127 0.000 1.986 145 A HA -0.236 4.074 4.320 -0.017 0.000 0.220 145 A C 2.214 179.839 177.584 0.069 0.000 1.171 145 A CA 1.920 54.000 52.037 0.071 0.000 0.640 145 A CB -0.286 18.743 19.000 0.047 0.000 0.811 145 A HN 0.754 nan 8.150 nan 0.000 0.451 146 E N 0.642 120.896 120.200 0.090 0.000 2.338 146 E HA -0.207 4.133 4.350 -0.017 0.000 0.197 146 E C 1.218 177.846 176.600 0.046 0.000 1.007 146 E CA 1.413 57.850 56.400 0.061 0.000 0.849 146 E CB -0.485 29.253 29.700 0.063 0.000 0.774 146 E HN 0.775 nan 8.360 nan 0.000 0.506 147 E N 0.724 120.960 120.200 0.061 0.000 2.358 147 E HA 0.017 4.357 4.350 -0.017 0.000 0.195 147 E C 0.264 176.872 176.600 0.014 0.000 1.010 147 E CA -0.060 56.359 56.400 0.030 0.000 0.856 147 E CB 0.075 29.797 29.700 0.037 0.000 0.795 147 E HN 0.200 nan 8.360 nan 0.000 0.504 148 R N 0.490 120.999 120.500 0.016 0.000 2.351 148 R HA 0.156 4.486 4.340 -0.017 0.000 0.318 148 R C 0.787 177.082 176.300 -0.008 0.000 1.055 148 R CA 0.626 56.726 56.100 -0.000 0.000 0.968 148 R CB 0.489 30.788 30.300 -0.001 0.000 0.974 148 R HN 0.257 nan 8.270 nan 0.000 0.439 149 G N 2.487 111.276 108.800 -0.018 0.000 2.176 149 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.253 149 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.253 149 G C 0.002 174.889 174.900 -0.021 0.000 0.979 149 G CA -0.267 44.818 45.100 -0.026 0.000 0.641 149 G HN 0.441 nan 8.290 nan 0.000 0.530 150 R N 0.126 120.618 120.500 -0.014 0.000 2.589 150 R HA 0.535 4.866 4.340 -0.017 0.000 0.293 150 R C 0.206 176.497 176.300 -0.015 0.000 0.963 150 R CA -0.984 55.111 56.100 -0.009 0.000 0.905 150 R CB 0.812 31.110 30.300 -0.004 0.000 1.144 150 R HN 0.279 nan 8.270 nan 0.000 0.459 151 R N 2.403 122.897 120.500 -0.009 0.000 2.272 151 R HA 0.303 4.633 4.340 -0.017 0.000 0.334 151 R C -0.036 176.251 176.300 -0.021 0.000 1.117 151 R CA -0.076 56.011 56.100 -0.023 0.000 0.966 151 R CB 0.322 30.605 30.300 -0.029 0.000 1.049 151 R HN 0.311 nan 8.270 nan 0.000 0.477 152 I N 4.877 125.429 120.570 -0.030 0.000 2.493 152 I HA 0.402 4.562 4.170 -0.017 0.000 0.298 152 I C 0.096 176.193 176.117 -0.035 0.000 0.998 152 I CA -0.794 60.481 61.300 -0.043 0.000 1.137 152 I CB 1.674 39.626 38.000 -0.080 0.000 1.310 152 I HN 0.451 nan 8.210 nan 0.000 0.445 153 L N 5.234 126.440 121.223 -0.027 0.000 2.354 153 L HA 0.569 4.900 4.340 -0.017 0.000 0.269 153 L C -0.018 176.824 176.870 -0.048 0.000 1.005 153 L CA -0.844 53.995 54.840 -0.001 0.000 0.819 153 L CB 2.331 44.425 42.059 0.057 0.000 1.311 153 L HN 0.494 nan 8.230 nan 0.000 0.423 154 R N 0.496 120.952 120.500 -0.072 0.000 2.540 154 R HA 0.668 4.998 4.340 -0.017 0.000 0.287 154 R C -0.229 176.111 176.300 0.066 0.000 0.980 154 R CA -0.750 55.272 56.100 -0.130 0.000 0.966 154 R CB 1.820 31.700 30.300 -0.699 0.000 1.106 154 R HN 0.769 nan 8.270 nan 0.000 0.480 155 G N 2.429 111.285 108.800 0.092 0.000 2.544 155 G HA2 0.553 4.503 3.960 -0.017 0.000 0.313 155 G HA3 0.553 4.503 3.960 -0.017 0.000 0.313 155 G C -0.825 174.251 174.900 0.293 0.000 1.316 155 G CA -0.579 44.603 45.100 0.138 0.000 0.944 155 G HN 0.279 nan 8.290 nan 0.000 0.489 156 L N 1.650 123.113 121.223 0.399 0.000 2.346 156 L HA 0.729 5.059 4.340 -0.017 0.000 0.276 156 L C 0.493 177.533 176.870 0.285 0.000 1.006 156 L CA -1.001 54.065 54.840 0.376 0.000 0.817 156 L CB 2.187 44.535 42.059 0.482 0.000 1.272 156 L HN 0.611 nan 8.230 nan 0.000 0.421 157 A N 2.889 125.764 122.820 0.092 0.000 2.306 157 A HA 0.855 5.165 4.320 -0.017 0.000 0.314 157 A C -1.208 176.139 177.584 -0.395 0.000 1.164 157 A CA -0.210 51.866 52.037 0.066 0.000 0.822 157 A CB 0.531 19.633 19.000 0.170 0.000 1.130 157 A HN 0.494 nan 8.150 nan 0.000 0.496 158 F N 0.913 120.834 119.950 -0.048 0.000 2.561 158 F HA 0.432 4.949 4.527 -0.017 0.000 0.313 158 F C -0.103 175.642 175.800 -0.091 0.000 1.126 158 F CA -0.712 57.215 58.000 -0.122 0.000 0.918 158 F CB 2.204 41.007 39.000 -0.330 0.000 1.199 158 F HN 0.309 nan 8.300 nan 0.000 0.444 159 V N 2.825 122.807 119.914 0.113 0.000 2.498 159 V HA 0.264 4.374 4.120 -0.017 0.000 0.279 159 V C -0.223 175.897 176.094 0.044 0.000 1.048 159 V CA -0.498 61.826 62.300 0.039 0.000 0.967 159 V CB 1.308 33.107 31.823 -0.039 0.000 0.988 159 V HN 0.746 nan 8.190 nan 0.000 0.473 160 Q N 2.663 122.441 119.800 -0.037 0.000 2.368 160 Q HA 0.233 4.563 4.340 -0.017 0.000 0.263 160 Q C 0.005 175.917 176.000 -0.147 0.000 1.009 160 Q CA -0.618 55.122 55.803 -0.105 0.000 0.818 160 Q CB 1.221 29.882 28.738 -0.129 0.000 1.239 160 Q HN 0.749 nan 8.270 nan 0.000 0.464 161 D N 3.426 123.688 120.400 -0.229 0.000 2.264 161 D HA 0.004 4.634 4.640 -0.017 0.000 0.208 161 D C -0.078 176.276 176.300 0.090 0.000 0.966 161 D CA 1.103 55.047 54.000 -0.094 0.000 0.864 161 D CB 0.137 40.942 40.800 0.007 0.000 0.933 161 D HN 0.420 nan 8.370 nan 0.000 0.499 162 F N -4.835 115.108 119.950 -0.011 0.000 2.770 162 F HA 0.334 4.851 4.527 -0.017 0.000 0.313 162 F C -2.488 173.303 175.800 -0.014 0.000 1.154 162 F CA -1.919 56.072 58.000 -0.015 0.000 0.923 162 F CB 0.477 39.464 39.000 -0.022 0.000 1.301 162 F HN -0.433 nan 8.300 nan 0.000 0.449 163 P HA -0.170 nan 4.420 nan 0.000 0.218 163 P C 0.339 177.653 177.300 0.023 0.000 1.152 163 P CA 2.097 65.240 63.100 0.072 0.000 0.857 163 P CB 0.133 31.893 31.700 0.099 0.000 0.787 164 E N -1.505 118.767 120.200 0.121 0.000 2.463 164 E HA 0.070 4.411 4.350 -0.017 0.000 0.193 164 E C 0.108 176.617 176.600 -0.153 0.000 1.041 164 E CA -0.084 56.350 56.400 0.056 0.000 0.879 164 E CB -0.502 29.305 29.700 0.178 0.000 0.997 164 E HN 0.286 nan 8.360 nan 0.000 0.478 165 D N 0.160 120.224 120.400 -0.561 0.000 2.304 165 D HA 0.068 4.698 4.640 -0.017 0.000 0.247 165 D C -0.521 175.582 176.300 -0.330 0.000 1.089 165 D CA -0.141 53.418 54.000 -0.735 0.000 0.910 165 D CB 0.996 41.051 40.800 -1.241 0.000 1.199 165 D HN -0.116 nan 8.370 nan 0.000 0.426 166 S N 2.169 117.739 115.700 -0.216 0.000 2.422 166 S HA 0.418 4.878 4.470 -0.017 0.000 0.283 166 S C 0.949 175.486 174.600 -0.106 0.000 1.163 166 S CA -0.215 57.930 58.200 -0.092 0.000 1.054 166 S CB 0.476 63.672 63.200 -0.007 0.000 0.967 166 S HN 0.503 nan 8.310 nan 0.000 0.499 167 A N 5.090 127.731 122.820 -0.298 0.000 2.014 167 A HA 0.049 4.359 4.320 -0.017 0.000 0.218 167 A C 1.423 178.874 177.584 -0.222 0.000 1.163 167 A CA 0.560 52.427 52.037 -0.282 0.000 0.652 167 A CB -0.682 18.037 19.000 -0.468 0.000 0.808 167 A HN 0.994 nan 8.150 nan 0.000 0.449 168 W N 0.080 121.349 121.300 -0.051 0.000 2.364 168 W HA -0.051 4.600 4.660 -0.016 0.000 0.281 168 W C 2.409 179.058 176.519 0.217 0.000 1.219 168 W CA 0.839 58.171 57.345 -0.022 0.000 1.220 168 W CB -0.238 29.195 29.460 -0.044 0.000 1.127 168 W HN 0.363 nan 8.180 nan 0.000 0.556 169 A N -0.455 122.553 122.820 0.314 0.000 2.125 169 A HA -0.126 4.184 4.320 -0.017 0.000 0.219 169 A C 0.700 178.143 177.584 -0.236 0.000 1.156 169 A CA 1.098 53.175 52.037 0.067 0.000 0.671 169 A CB -0.644 18.225 19.000 -0.219 0.000 0.794 169 A HN 0.392 nan 8.150 nan 0.000 0.459 170 H N -0.802 118.389 119.070 0.203 0.000 2.535 170 H HA 0.241 4.787 4.556 -0.016 0.000 0.232 170 H C -2.945 172.405 175.328 0.037 0.000 1.405 170 H CA -2.131 53.973 56.048 0.094 0.000 1.224 170 H CB -0.163 29.633 29.762 0.057 0.000 1.763 170 H HN 0.357 nan 8.280 nan 0.000 0.529 171 P HA 0.016 nan 4.420 nan 0.000 0.271 171 P C 0.329 177.461 177.300 -0.280 0.000 1.218 171 P CA -0.268 62.629 63.100 -0.339 0.000 0.780 171 P CB 1.947 33.481 31.700 -0.277 0.000 0.901 172 V N 3.535 123.216 119.914 -0.388 0.000 2.288 172 V HA 0.164 4.274 4.120 -0.017 0.000 0.266 172 V C 0.689 176.648 176.094 -0.225 0.000 1.048 172 V CA -0.242 61.920 62.300 -0.230 0.000 0.842 172 V CB 0.297 31.996 31.823 -0.207 0.000 1.064 172 V HN 0.531 nan 8.190 nan 0.000 0.472 173 D N 3.138 123.414 120.400 -0.206 0.000 2.383 173 D HA 0.444 5.074 4.640 -0.017 0.000 0.248 173 D C 1.281 177.552 176.300 -0.047 0.000 1.170 173 D CA 1.205 55.028 54.000 -0.296 0.000 0.977 173 D CB 1.805 42.123 40.800 -0.803 0.000 1.120 173 D HN 0.741 nan 8.370 nan 0.000 0.481 174 G N 0.059 108.849 108.800 -0.018 0.000 2.162 174 G HA2 -0.216 3.734 3.960 -0.017 0.000 0.260 174 G HA3 -0.216 3.734 3.960 -0.017 0.000 0.260 174 G C -0.126 174.830 174.900 0.093 0.000 0.976 174 G CA 0.615 45.842 45.100 0.212 0.000 0.655 174 G HN 0.471 nan 8.290 nan 0.000 0.533 175 L N -0.044 121.204 121.223 0.042 0.000 2.464 175 L HA 0.905 5.235 4.340 -0.017 0.000 0.266 175 L C -0.721 176.230 176.870 0.135 0.000 0.965 175 L CA -1.071 53.789 54.840 0.033 0.000 0.833 175 L CB 2.336 44.338 42.059 -0.095 0.000 1.296 175 L HN 0.617 nan 8.230 nan 0.000 0.405 176 V N 4.039 124.056 119.914 0.172 0.000 3.012 176 V HA 0.992 5.102 4.120 -0.017 0.000 0.307 176 V C -1.235 174.918 176.094 0.098 0.000 1.166 176 V CA 0.289 62.726 62.300 0.229 0.000 0.974 176 V CB 2.115 34.108 31.823 0.283 0.000 1.040 176 V HN 1.186 nan 8.190 nan 0.000 0.428 177 A N 4.639 127.507 122.820 0.080 0.000 2.413 177 A HA 0.975 5.285 4.320 -0.017 0.000 0.307 177 A C -2.062 175.490 177.584 -0.054 0.000 1.087 177 A CA -0.469 51.491 52.037 -0.128 0.000 0.750 177 A CB 1.744 20.627 19.000 -0.196 0.000 1.296 177 A HN 0.852 nan 8.150 nan 0.000 0.423 178 Y N 0.041 120.220 120.300 -0.202 0.000 2.409 178 Y HA 0.630 5.170 4.550 -0.016 0.000 0.343 178 Y C -0.243 175.549 175.900 -0.180 0.000 0.973 178 Y CA -1.687 56.270 58.100 -0.239 0.000 1.064 178 Y CB 1.824 40.095 38.460 -0.316 0.000 1.207 178 Y HN 0.372 nan 8.280 nan 0.000 0.452 179 V N 2.887 122.801 119.914 0.001 0.000 2.638 179 V HA 0.241 4.351 4.120 -0.017 0.000 0.306 179 V C -0.734 175.346 176.094 -0.023 0.000 1.052 179 V CA -1.065 61.215 62.300 -0.034 0.000 0.885 179 V CB 2.262 34.047 31.823 -0.064 0.000 0.999 179 V HN 0.688 nan 8.190 nan 0.000 0.424 180 D N 3.304 123.694 120.400 -0.017 0.000 2.365 180 D HA 0.144 4.774 4.640 -0.017 0.000 0.237 180 D C 0.934 177.233 176.300 -0.001 0.000 1.190 180 D CA -0.141 53.853 54.000 -0.009 0.000 0.867 180 D CB 1.933 42.731 40.800 -0.004 0.000 1.050 180 D HN 0.473 nan 8.370 nan 0.000 0.491 181 V N 2.224 122.141 119.914 0.004 0.000 3.573 181 V HA -0.000 4.110 4.120 -0.017 0.000 0.270 181 V C 1.371 177.485 176.094 0.034 0.000 1.221 181 V CA 0.274 62.583 62.300 0.015 0.000 1.163 181 V CB -0.078 31.754 31.823 0.015 0.000 0.847 181 V HN 0.372 nan 8.190 nan 0.000 0.468 182 V N 1.247 121.186 119.914 0.042 0.000 2.599 182 V HA -0.030 4.080 4.120 -0.017 0.000 0.237 182 V C 2.792 178.909 176.094 0.038 0.000 1.081 182 V CA 1.713 64.053 62.300 0.067 0.000 1.107 182 V CB -0.020 31.858 31.823 0.091 0.000 0.808 182 V HN 0.674 nan 8.190 nan 0.000 0.486 183 S N -0.708 115.006 115.700 0.024 0.000 2.481 183 S HA -0.114 4.346 4.470 -0.017 0.000 0.231 183 S C 0.853 175.460 174.600 0.010 0.000 0.996 183 S CA 0.371 58.579 58.200 0.014 0.000 0.942 183 S CB -0.285 62.920 63.200 0.008 0.000 0.768 183 S HN 0.500 nan 8.310 nan 0.000 0.520 184 K N 0.963 121.369 120.400 0.010 0.000 3.239 184 K HA -0.117 4.193 4.320 -0.017 0.000 0.270 184 K C -0.982 175.614 176.600 -0.006 0.000 1.083 184 K CA 0.833 57.122 56.287 0.003 0.000 0.782 184 K CB -2.301 30.205 32.500 0.009 0.000 1.290 184 K HN 0.750 nan 8.250 nan 0.000 0.474 185 E N -0.208 119.986 120.200 -0.010 0.000 2.238 185 E HA 0.417 4.757 4.350 -0.017 0.000 0.267 185 E C -0.313 176.270 176.600 -0.028 0.000 0.887 185 E CA -1.052 55.339 56.400 -0.015 0.000 0.769 185 E CB 2.183 31.878 29.700 -0.008 0.000 1.187 185 E HN -0.026 nan 8.360 nan 0.000 0.416 186 V N 2.951 122.843 119.914 -0.037 0.000 2.408 186 V HA 0.011 4.121 4.120 -0.017 0.000 0.267 186 V C 1.327 177.399 176.094 -0.036 0.000 1.047 186 V CA 0.231 62.499 62.300 -0.053 0.000 0.937 186 V CB 0.647 32.428 31.823 -0.070 0.000 0.999 186 V HN 0.945 nan 8.190 nan 0.000 0.472 187 T N 2.639 117.175 114.554 -0.030 0.000 2.937 187 T HA 0.185 4.525 4.350 -0.017 0.000 0.260 187 T C 0.799 175.469 174.700 -0.049 0.000 1.051 187 T CA 0.374 62.463 62.100 -0.019 0.000 1.141 187 T CB 0.308 69.178 68.868 0.004 0.000 0.879 187 T HN 0.516 nan 8.240 nan 0.000 0.459 188 R N -0.271 120.162 120.500 -0.112 0.000 2.643 188 R HA 0.657 4.987 4.340 -0.017 0.000 0.269 188 R C -2.154 173.975 176.300 -0.284 0.000 1.037 188 R CA -0.676 55.287 56.100 -0.227 0.000 0.894 188 R CB 2.855 32.916 30.300 -0.399 0.000 1.238 188 R HN 0.061 nan 8.270 nan 0.000 0.459 189 V N 4.201 124.001 119.914 -0.190 0.000 2.482 189 V HA 0.463 4.573 4.120 -0.017 0.000 0.295 189 V C -0.405 175.624 176.094 -0.109 0.000 1.026 189 V CA -0.582 61.663 62.300 -0.091 0.000 0.856 189 V CB 1.890 33.759 31.823 0.076 0.000 1.001 189 V HN 0.572 nan 8.190 nan 0.000 0.424 190 I N 4.122 124.608 120.570 -0.140 0.000 2.330 190 I HA 0.453 4.613 4.170 -0.017 0.000 0.289 190 I C -0.759 175.348 176.117 -0.016 0.000 1.001 190 I CA -0.194 61.055 61.300 -0.085 0.000 1.193 190 I CB 1.645 39.577 38.000 -0.113 0.000 1.345 190 I HN 0.493 nan 8.210 nan 0.000 0.461 191 D N 4.659 125.052 120.400 -0.011 0.000 2.462 191 D HA 0.178 4.808 4.640 -0.017 0.000 0.245 191 D C 0.868 177.173 176.300 0.008 0.000 1.122 191 D CA -0.368 53.627 54.000 -0.008 0.000 0.864 191 D CB 1.505 42.282 40.800 -0.037 0.000 1.098 191 D HN 0.623 nan 8.370 nan 0.000 0.541 192 T N 0.384 114.962 114.554 0.039 0.000 3.081 192 T HA 0.476 4.817 4.350 -0.017 0.000 0.250 192 T C 0.922 175.636 174.700 0.022 0.000 1.100 192 T CA 0.266 62.393 62.100 0.046 0.000 1.038 192 T CB 0.252 69.173 68.868 0.088 0.000 0.962 192 T HN 0.558 nan 8.240 nan 0.000 0.516 193 G N 0.888 109.696 108.800 0.014 0.000 2.312 193 G HA2 0.326 4.276 3.960 -0.017 0.000 0.347 193 G HA3 0.326 4.276 3.960 -0.017 0.000 0.347 193 G C -0.797 174.082 174.900 -0.036 0.000 1.564 193 G CA -0.606 44.463 45.100 -0.051 0.000 0.981 193 G HN 0.983 nan 8.290 nan 0.000 0.678 194 V N -1.049 118.812 119.914 -0.088 0.000 2.715 194 V HA 0.825 4.935 4.120 -0.017 0.000 0.299 194 V C -0.137 175.883 176.094 -0.123 0.000 1.054 194 V CA -0.504 61.767 62.300 -0.048 0.000 1.077 194 V CB 0.748 32.535 31.823 -0.061 0.000 0.972 194 V HN 0.751 nan 8.190 nan 0.000 0.484 195 F N 3.394 123.308 119.950 -0.061 0.000 2.546 195 F HA 0.714 5.231 4.527 -0.016 0.000 0.320 195 F C -1.958 173.814 175.800 -0.046 0.000 1.076 195 F CA -2.301 55.668 58.000 -0.051 0.000 0.928 195 F CB 1.797 40.765 39.000 -0.054 0.000 1.189 195 F HN 0.429 nan 8.300 nan 0.000 0.465 196 P HA 0.085 nan 4.420 nan 0.000 0.266 196 P C -0.866 176.490 177.300 0.094 0.000 1.195 196 P CA -0.130 63.024 63.100 0.091 0.000 0.768 196 P CB 0.437 32.184 31.700 0.077 0.000 0.838 197 V N 5.894 125.841 119.914 0.056 0.000 2.385 197 V HA 0.190 4.300 4.120 -0.017 0.000 0.269 197 V C -1.843 174.306 176.094 0.092 0.000 1.043 197 V CA -1.509 60.822 62.300 0.052 0.000 0.906 197 V CB 0.464 32.299 31.823 0.020 0.000 0.995 197 V HN 0.578 nan 8.190 nan 0.000 0.467 198 P HA 0.148 nan 4.420 nan 0.000 0.266 198 P C 0.384 177.840 177.300 0.260 0.000 1.195 198 P CA 0.065 63.242 63.100 0.127 0.000 0.768 198 P CB 0.946 32.681 31.700 0.059 0.000 0.838 199 A N 2.675 125.617 122.820 0.203 0.000 2.014 199 A HA 0.028 4.338 4.320 -0.017 0.000 0.210 199 A C 0.793 178.562 177.584 0.309 0.000 1.188 199 A CA 0.344 52.518 52.037 0.227 0.000 0.731 199 A CB -0.497 18.577 19.000 0.122 0.000 0.858 199 A HN 0.583 nan 8.150 nan 0.000 0.464 200 E N 1.004 121.329 120.200 0.208 0.000 2.414 200 E HA 0.196 4.536 4.350 -0.017 0.000 0.263 200 E C -0.277 176.460 176.600 0.229 0.000 1.000 200 E CA -0.042 56.454 56.400 0.161 0.000 0.914 200 E CB 0.311 30.064 29.700 0.088 0.000 0.948 200 E HN 0.750 nan 8.360 nan 0.000 0.444 201 H N -0.097 119.122 119.070 0.248 0.000 2.607 201 H HA 0.399 4.945 4.556 -0.017 0.000 0.367 201 H C 0.538 175.955 175.328 0.148 0.000 1.181 201 H CA -0.692 55.469 56.048 0.190 0.000 1.402 201 H CB 0.970 30.860 29.762 0.213 0.000 1.474 201 H HN 0.484 nan 8.280 nan 0.000 0.596 202 G N 1.567 110.519 108.800 0.254 0.000 4.547 202 G HA2 0.062 4.012 3.960 -0.017 0.000 0.301 202 G HA3 0.062 4.012 3.960 -0.017 0.000 0.301 202 G C -0.638 174.247 174.900 -0.026 0.000 1.240 202 G CA -0.662 44.446 45.100 0.013 0.000 0.970 202 G HN 0.625 nan 8.290 nan 0.000 0.574 203 N N 1.608 120.432 118.700 0.205 0.000 2.602 203 N HA 0.146 4.876 4.740 -0.017 0.000 0.238 203 N C 0.633 176.062 175.510 -0.135 0.000 1.084 203 N CA -0.484 52.482 53.050 -0.141 0.000 0.952 203 N CB 0.751 39.139 38.487 -0.165 0.000 1.244 203 N HN 0.535 nan 8.380 nan 0.000 0.512 204 Y N -0.525 119.763 120.300 -0.020 0.000 2.578 204 Y HA 0.049 4.589 4.550 -0.016 0.000 0.297 204 Y C 1.723 177.615 175.900 -0.014 0.000 1.176 204 Y CA 0.115 58.191 58.100 -0.041 0.000 1.315 204 Y CB -0.566 37.832 38.460 -0.104 0.000 1.031 204 Y HN 0.262 nan 8.280 nan 0.000 0.524 205 T N -3.946 110.563 114.554 -0.074 0.000 3.069 205 T HA 0.049 4.389 4.350 -0.017 0.000 0.252 205 T C 0.125 174.818 174.700 -0.013 0.000 1.053 205 T CA -0.185 61.912 62.100 -0.005 0.000 0.964 205 T CB -0.204 68.650 68.868 -0.023 0.000 1.005 205 T HN 0.196 nan 8.240 nan 0.000 0.532 206 D N 2.984 123.371 120.400 -0.021 0.000 2.339 206 D HA 0.221 4.851 4.640 -0.017 0.000 0.256 206 D C -1.534 174.788 176.300 0.037 0.000 1.214 206 D CA -2.458 51.535 54.000 -0.012 0.000 0.877 206 D CB 1.779 42.542 40.800 -0.063 0.000 1.111 206 D HN -0.002 nan 8.370 nan 0.000 0.478 207 P HA -0.182 nan 4.420 nan 0.000 0.217 207 P C 1.107 178.438 177.300 0.051 0.000 1.148 207 P CA 0.925 64.044 63.100 0.033 0.000 0.834 207 P CB 0.237 31.947 31.700 0.017 0.000 0.783 208 E N -0.896 119.345 120.200 0.067 0.000 2.118 208 E HA -0.200 4.140 4.350 -0.017 0.000 0.195 208 E C 1.688 178.359 176.600 0.117 0.000 0.992 208 E CA 0.907 57.365 56.400 0.097 0.000 0.804 208 E CB -0.327 29.454 29.700 0.136 0.000 0.741 208 E HN 0.113 nan 8.360 nan 0.000 0.458 209 L N 0.146 121.460 121.223 0.151 0.000 2.253 209 L HA -0.024 4.306 4.340 -0.017 0.000 0.205 209 L C 2.519 179.437 176.870 0.080 0.000 1.078 209 L CA 1.927 56.842 54.840 0.126 0.000 0.805 209 L CB -0.399 41.778 42.059 0.197 0.000 0.963 209 L HN 0.192 nan 8.230 nan 0.000 0.459 210 T N -2.689 111.911 114.554 0.076 0.000 2.942 210 T HA 0.347 4.687 4.350 -0.017 0.000 0.265 210 T C 1.189 175.915 174.700 0.042 0.000 1.062 210 T CA 0.513 62.647 62.100 0.056 0.000 1.139 210 T CB -0.816 68.083 68.868 0.053 0.000 0.883 210 T HN 0.718 nan 8.240 nan 0.000 0.468 211 G N 1.943 110.768 108.800 0.043 0.000 2.782 211 G HA2 -0.039 3.911 3.960 -0.017 0.000 0.228 211 G HA3 -0.039 3.911 3.960 -0.017 0.000 0.228 211 G C -2.859 172.057 174.900 0.027 0.000 1.372 211 G CA -0.739 44.381 45.100 0.033 0.000 0.862 211 G HN 0.525 nan 8.290 nan 0.000 0.547 212 P HA 0.330 nan 4.420 nan 0.000 0.264 212 P C 0.570 177.880 177.300 0.017 0.000 1.193 212 P CA -0.133 62.977 63.100 0.017 0.000 0.763 212 P CB 0.306 32.015 31.700 0.014 0.000 0.810 213 L N 3.680 124.912 121.223 0.016 0.000 2.456 213 L HA 0.166 4.496 4.340 -0.017 0.000 0.272 213 L C 1.334 178.211 176.870 0.011 0.000 1.189 213 L CA -0.257 54.591 54.840 0.014 0.000 0.846 213 L CB 0.078 42.145 42.059 0.014 0.000 1.111 213 L HN 0.337 nan 8.230 nan 0.000 0.475 214 R N 0.777 121.282 120.500 0.009 0.000 2.585 214 R HA 0.016 4.346 4.340 -0.017 0.000 0.275 214 R C 0.815 177.119 176.300 0.006 0.000 1.018 214 R CA 0.462 56.566 56.100 0.007 0.000 1.072 214 R CB 0.234 30.537 30.300 0.005 0.000 0.953 214 R HN 0.727 nan 8.270 nan 0.000 0.419 215 T N -3.236 111.321 114.554 0.005 0.000 3.129 215 T HA 0.000 4.340 4.350 -0.017 0.000 0.267 215 T C 1.241 175.943 174.700 0.003 0.000 1.018 215 T CA 0.060 62.162 62.100 0.004 0.000 0.903 215 T CB 0.298 69.168 68.868 0.004 0.000 1.067 215 T HN 0.670 nan 8.240 nan 0.000 0.549 216 T N -1.097 113.458 114.554 0.002 0.000 3.065 216 T HA 0.194 4.534 4.350 -0.017 0.000 0.252 216 T C 0.669 175.369 174.700 -0.000 0.000 1.099 216 T CA -0.209 61.891 62.100 0.001 0.000 1.063 216 T CB -0.251 68.617 68.868 0.000 0.000 0.948 216 T HN 0.408 nan 8.240 nan 0.000 0.506 217 Q N 1.852 121.652 119.800 0.000 0.000 2.307 217 Q HA 0.315 4.645 4.340 -0.017 0.000 0.259 217 Q C -0.434 175.566 176.000 0.000 0.000 0.998 217 Q CA -0.021 55.781 55.803 -0.001 0.000 0.923 217 Q CB 1.024 29.761 28.738 -0.001 0.000 1.196 217 Q HN 0.418 nan 8.270 nan 0.000 0.416 218 K N 2.988 123.388 120.400 -0.001 0.000 2.098 218 K HA 0.417 4.727 4.320 -0.017 0.000 0.261 218 K C -2.174 174.426 176.600 0.001 0.000 0.987 218 K CA -1.802 54.485 56.287 0.000 0.000 0.916 218 K CB 0.331 32.831 32.500 -0.001 0.000 1.039 218 K HN 0.361 nan 8.250 nan 0.000 0.455 219 P HA 0.106 nan 4.420 nan 0.000 0.267 219 P C -0.737 176.566 177.300 0.004 0.000 1.200 219 P CA 0.146 63.248 63.100 0.004 0.000 0.772 219 P CB 0.401 32.104 31.700 0.005 0.000 0.855 220 I N 1.061 121.634 120.570 0.005 0.000 2.410 220 I HA 0.221 4.381 4.170 -0.017 0.000 0.286 220 I C 0.062 176.185 176.117 0.011 0.000 1.009 220 I CA -0.479 60.825 61.300 0.007 0.000 1.111 220 I CB 1.699 39.703 38.000 0.006 0.000 1.262 220 I HN 0.222 nan 8.210 nan 0.000 0.443 221 S N 7.801 123.508 115.700 0.012 0.000 2.438 221 S HA 0.627 5.087 4.470 -0.017 0.000 0.316 221 S C -0.571 174.041 174.600 0.020 0.000 1.084 221 S CA -0.505 57.704 58.200 0.015 0.000 1.107 221 S CB 0.381 63.589 63.200 0.013 0.000 0.981 221 S HN 0.451 nan 8.310 nan 0.000 0.466 222 I N 5.469 126.054 120.570 0.024 0.000 2.355 222 I HA 0.368 4.528 4.170 -0.017 0.000 0.288 222 I C 0.297 176.434 176.117 0.034 0.000 0.999 222 I CA -0.424 60.897 61.300 0.034 0.000 1.163 222 I CB 1.614 39.640 38.000 0.044 0.000 1.316 222 I HN 0.659 nan 8.210 nan 0.000 0.454 223 T N 1.986 116.562 114.554 0.036 0.000 2.901 223 T HA 0.537 4.878 4.350 -0.017 0.000 0.293 223 T C -0.710 174.013 174.700 0.038 0.000 1.084 223 T CA -0.926 61.194 62.100 0.032 0.000 1.008 223 T CB 2.254 71.136 68.868 0.024 0.000 1.170 223 T HN 0.512 nan 8.240 nan 0.000 0.509 224 Q N 0.904 120.723 119.800 0.032 0.000 2.616 224 Q HA 0.274 4.605 4.340 -0.017 0.000 0.250 224 Q C -2.218 173.791 176.000 0.016 0.000 0.991 224 Q CA -1.953 53.868 55.803 0.030 0.000 0.707 224 Q CB 1.951 30.709 28.738 0.034 0.000 1.247 224 Q HN 0.477 nan 8.270 nan 0.000 0.491 225 P HA -0.183 nan 4.420 nan 0.000 0.218 225 P C 0.172 177.474 177.300 0.004 0.000 1.148 225 P CA 1.326 64.431 63.100 0.010 0.000 0.822 225 P CB 0.385 32.092 31.700 0.011 0.000 0.784 226 E N -0.941 119.261 120.200 0.003 0.000 2.465 226 E HA 0.367 4.707 4.350 -0.017 0.000 0.195 226 E C 0.772 177.361 176.600 -0.017 0.000 1.028 226 E CA -0.044 56.354 56.400 -0.004 0.000 0.899 226 E CB 0.065 29.765 29.700 -0.000 0.000 1.032 226 E HN 0.127 nan 8.360 nan 0.000 0.468 227 G N 2.695 111.481 108.800 -0.023 0.000 2.757 227 G HA2 -0.189 3.761 3.960 -0.017 0.000 0.638 227 G HA3 -0.189 3.761 3.960 -0.017 0.000 0.638 227 G C -2.767 172.087 174.900 -0.077 0.000 1.344 227 G CA -0.969 44.098 45.100 -0.056 0.000 0.855 227 G HN 0.013 nan 8.290 nan 0.000 0.537 228 P HA 0.413 nan 4.420 nan 0.000 0.276 228 P C 0.616 177.811 177.300 -0.175 0.000 1.244 228 P CA -0.037 62.918 63.100 -0.242 0.000 0.801 228 P CB 1.352 32.614 31.700 -0.730 0.000 1.006 229 S N 0.160 115.892 115.700 0.053 0.000 2.562 229 S HA 0.082 4.542 4.470 -0.017 0.000 0.221 229 S C 0.732 175.508 174.600 0.294 0.000 0.975 229 S CA 0.255 58.558 58.200 0.172 0.000 0.918 229 S CB -0.856 62.508 63.200 0.273 0.000 0.772 229 S HN 0.577 nan 8.310 nan 0.000 0.531 230 F N 1.946 122.097 119.950 0.335 0.000 2.403 230 F HA 0.729 5.246 4.527 -0.017 0.000 0.326 230 F C 0.193 176.078 175.800 0.141 0.000 1.081 230 F CA -1.169 57.005 58.000 0.289 0.000 1.041 230 F CB 0.322 39.454 39.000 0.221 0.000 1.234 230 F HN -0.148 nan 8.300 nan 0.000 0.503 231 T N -0.171 114.573 114.554 0.316 0.000 2.888 231 T HA 0.742 5.082 4.350 -0.017 0.000 0.284 231 T C -1.037 173.829 174.700 0.278 0.000 1.017 231 T CA -0.813 61.406 62.100 0.198 0.000 1.022 231 T CB 1.536 70.489 68.868 0.141 0.000 1.013 231 T HN 0.671 nan 8.240 nan 0.000 0.465 232 V N 3.192 123.236 119.914 0.217 0.000 2.409 232 V HA 0.698 4.808 4.120 -0.017 0.000 0.291 232 V C 0.323 176.512 176.094 0.158 0.000 1.020 232 V CA -0.679 61.738 62.300 0.195 0.000 0.848 232 V CB 1.231 33.172 31.823 0.196 0.000 0.990 232 V HN 1.291 nan 8.190 nan 0.000 0.430 233 T N 0.075 114.740 114.554 0.184 0.000 2.906 233 T HA 0.675 5.015 4.350 -0.017 0.000 0.295 233 T C 0.754 175.547 174.700 0.153 0.000 1.061 233 T CA -0.092 62.101 62.100 0.155 0.000 1.000 233 T CB 1.760 70.722 68.868 0.156 0.000 1.103 233 T HN 1.734 nan 8.240 nan 0.000 0.486 234 G N 0.054 108.914 108.800 0.099 0.000 2.283 234 G HA2 0.115 4.065 3.960 -0.017 0.000 0.280 234 G HA3 0.115 4.065 3.960 -0.017 0.000 0.280 234 G C 1.328 176.284 174.900 0.094 0.000 1.029 234 G CA 0.956 46.106 45.100 0.084 0.000 0.840 234 G HN 2.402 nan 8.290 nan 0.000 0.505 235 G N -0.114 108.742 108.800 0.093 0.000 2.609 235 G HA2 -0.303 3.647 3.960 -0.017 0.000 0.235 235 G HA3 -0.303 3.647 3.960 -0.017 0.000 0.235 235 G C 0.944 175.902 174.900 0.095 0.000 1.177 235 G CA 1.343 46.494 45.100 0.085 0.000 0.707 235 G HN 2.229 nan 8.290 nan 0.000 0.513 236 N N -0.175 118.595 118.700 0.116 0.000 2.142 236 N HA 0.171 4.901 4.740 -0.017 0.000 0.233 236 N C -0.309 175.273 175.510 0.119 0.000 1.335 236 N CA 0.401 53.513 53.050 0.103 0.000 0.837 236 N CB -0.185 38.361 38.487 0.098 0.000 1.238 236 N HN 0.590 nan 8.380 nan 0.000 0.501 237 H N 1.241 120.348 119.070 0.063 0.000 2.552 237 H HA 0.494 5.040 4.556 -0.017 0.000 0.311 237 H C -0.658 174.716 175.328 0.075 0.000 1.071 237 H CA -0.388 55.696 56.048 0.059 0.000 1.307 237 H CB 0.559 30.358 29.762 0.062 0.000 1.416 237 H HN -0.026 nan 8.280 nan 0.000 0.464 238 I N 4.948 125.272 120.570 -0.410 0.000 2.377 238 I HA 0.250 4.410 4.170 -0.017 0.000 0.293 238 I C -0.105 175.863 176.117 -0.248 0.000 0.987 238 I CA -0.816 60.362 61.300 -0.203 0.000 1.185 238 I CB 1.404 39.295 38.000 -0.181 0.000 1.341 238 I HN 0.660 nan 8.210 nan 0.000 0.455 239 E N 5.371 125.588 120.200 0.027 0.000 2.199 239 E HA 0.339 4.679 4.350 -0.017 0.000 0.265 239 E C -1.631 175.152 176.600 0.304 0.000 0.882 239 E CA -0.466 56.009 56.400 0.124 0.000 0.759 239 E CB 2.817 32.601 29.700 0.139 0.000 1.148 239 E HN 0.614 nan 8.360 nan 0.000 0.412 240 W N 3.723 125.080 121.300 0.096 0.000 3.423 240 W HA 0.133 4.784 4.660 -0.016 0.000 0.330 240 W C -0.556 176.053 176.519 0.150 0.000 1.102 240 W CA -0.388 57.044 57.345 0.145 0.000 1.261 240 W CB 0.806 30.353 29.460 0.145 0.000 1.283 240 W HN 0.353 nan 8.180 nan 0.000 0.447 241 E N 6.017 125.880 120.200 -0.562 0.000 2.210 241 E HA -0.296 4.044 4.350 -0.017 0.000 0.201 241 E C 0.571 176.865 176.600 -0.509 0.000 1.339 241 E CA 1.725 57.705 56.400 -0.701 0.000 0.699 241 E CB -0.814 28.037 29.700 -1.415 0.000 1.126 241 E HN 0.765 nan 8.360 nan 0.000 0.355 242 K N -4.582 115.551 120.400 -0.445 0.000 3.615 242 K HA -0.237 4.073 4.320 -0.017 0.000 0.269 242 K C 0.276 176.448 176.600 -0.713 0.000 1.107 242 K CA 1.826 57.677 56.287 -0.727 0.000 1.059 242 K CB -1.781 29.881 32.500 -1.397 0.000 1.317 242 K HN 0.320 nan 8.250 nan 0.000 0.494 243 W N 1.866 122.965 121.300 -0.334 0.000 2.251 243 W HA 0.454 5.104 4.660 -0.016 0.000 0.329 243 W C 0.885 177.383 176.519 -0.035 0.000 1.234 243 W CA -0.051 57.244 57.345 -0.084 0.000 1.228 243 W CB 1.207 30.762 29.460 0.157 0.000 1.135 243 W HN 0.037 nan 8.180 nan 0.000 0.576 244 S N 4.275 120.130 115.700 0.259 0.000 2.571 244 S HA 0.846 5.306 4.470 -0.017 0.000 0.284 244 S C -1.076 173.557 174.600 0.055 0.000 1.128 244 S CA -0.728 57.531 58.200 0.097 0.000 0.970 244 S CB 0.153 63.434 63.200 0.135 0.000 1.039 244 S HN 0.535 nan 8.310 nan 0.000 0.485 245 L N 1.070 122.214 121.223 -0.133 0.000 2.838 245 L HA 0.762 5.092 4.340 -0.017 0.000 0.266 245 L C -1.994 174.787 176.870 -0.149 0.000 1.040 245 L CA -1.085 53.687 54.840 -0.113 0.000 0.906 245 L CB 1.724 43.708 42.059 -0.124 0.000 1.501 245 L HN 0.388 nan 8.230 nan 0.000 0.407 246 D N 1.314 121.683 120.400 -0.051 0.000 2.375 246 D HA 0.474 5.104 4.640 -0.017 0.000 0.247 246 D C -0.856 175.461 176.300 0.028 0.000 1.061 246 D CA -0.302 53.723 54.000 0.042 0.000 0.834 246 D CB 3.287 44.155 40.800 0.113 0.000 1.247 246 D HN 0.348 nan 8.370 nan 0.000 0.489 247 V N 2.187 122.116 119.914 0.026 0.000 2.320 247 V HA 0.441 4.551 4.120 -0.017 0.000 0.265 247 V C 0.965 177.115 176.094 0.093 0.000 1.048 247 V CA -0.457 61.841 62.300 -0.004 0.000 0.865 247 V CB 1.028 32.828 31.823 -0.038 0.000 1.043 247 V HN 0.598 nan 8.190 nan 0.000 0.474 248 G N 3.017 111.894 108.800 0.129 0.000 2.522 248 G HA2 0.678 4.628 3.960 -0.017 0.000 0.304 248 G HA3 0.678 4.628 3.960 -0.017 0.000 0.304 248 G C -1.425 173.564 174.900 0.148 0.000 1.210 248 G CA -0.417 44.800 45.100 0.195 0.000 0.960 248 G HN 0.495 nan 8.290 nan 0.000 0.497 249 F N -0.098 119.831 119.950 -0.036 0.000 2.605 249 F HA 0.464 4.981 4.527 -0.017 0.000 0.320 249 F C -1.495 174.252 175.800 -0.089 0.000 1.159 249 F CA -0.902 57.029 58.000 -0.115 0.000 0.999 249 F CB 2.439 41.360 39.000 -0.132 0.000 1.258 249 F HN 0.549 nan 8.300 nan 0.000 0.464 250 D N 3.447 123.463 120.400 -0.639 0.000 2.619 250 D HA 0.434 5.064 4.640 -0.017 0.000 0.241 250 D C 0.684 176.634 176.300 -0.583 0.000 1.087 250 D CA -0.643 53.127 54.000 -0.383 0.000 0.851 250 D CB 2.179 42.876 40.800 -0.171 0.000 1.474 250 D HN 0.333 nan 8.370 nan 0.000 0.478 251 V N 2.202 121.961 119.914 -0.258 0.000 2.490 251 V HA -0.120 3.990 4.120 -0.017 0.000 0.250 251 V C 2.178 178.201 176.094 -0.118 0.000 1.061 251 V CA 1.622 63.813 62.300 -0.182 0.000 1.064 251 V CB -0.761 31.008 31.823 -0.089 0.000 0.670 251 V HN 0.598 nan 8.190 nan 0.000 0.461 252 R N 0.612 121.107 120.500 -0.008 0.000 2.052 252 R HA -0.056 4.274 4.340 -0.017 0.000 0.226 252 R C 2.400 178.634 176.300 -0.111 0.000 1.145 252 R CA 1.740 57.813 56.100 -0.045 0.000 0.952 252 R CB -0.214 30.006 30.300 -0.132 0.000 0.847 252 R HN 0.616 nan 8.270 nan 0.000 0.431 253 E N -0.629 119.483 120.200 -0.146 0.000 2.299 253 E HA 0.112 4.453 4.350 -0.017 0.000 0.193 253 E C 0.784 177.184 176.600 -0.333 0.000 0.998 253 E CA 0.377 56.690 56.400 -0.146 0.000 0.851 253 E CB 0.425 30.087 29.700 -0.064 0.000 0.795 253 E HN 0.570 nan 8.360 nan 0.000 0.492 254 G N 0.796 109.176 108.800 -0.700 0.000 2.498 254 G HA2 -0.303 3.647 3.960 -0.017 0.000 0.245 254 G HA3 -0.303 3.647 3.960 -0.017 0.000 0.245 254 G C -0.066 174.205 174.900 -1.048 0.000 1.204 254 G CA -0.337 43.985 45.100 -1.296 0.000 0.933 254 G HN 0.115 nan 8.290 nan 0.000 0.574 255 V N 0.569 120.050 119.914 -0.723 0.000 2.599 255 V HA 0.404 4.514 4.120 -0.017 0.000 0.300 255 V C 0.813 176.824 176.094 -0.139 0.000 1.034 255 V CA 0.268 62.474 62.300 -0.158 0.000 1.115 255 V CB 0.984 32.896 31.823 0.147 0.000 0.934 255 V HN 0.901 nan 8.190 nan 0.000 0.485 256 V N 6.691 126.475 119.914 -0.217 0.000 2.588 256 V HA 0.462 4.572 4.120 -0.017 0.000 0.304 256 V C -0.236 175.545 176.094 -0.521 0.000 1.042 256 V CA -0.629 61.450 62.300 -0.368 0.000 0.877 256 V CB 1.943 33.563 31.823 -0.338 0.000 0.996 256 V HN 0.611 nan 8.190 nan 0.000 0.425 257 L N 5.136 125.938 121.223 -0.701 0.000 2.282 257 L HA 0.603 4.933 4.340 -0.017 0.000 0.288 257 L C -0.398 176.079 176.870 -0.656 0.000 1.033 257 L CA -0.550 53.905 54.840 -0.642 0.000 0.807 257 L CB 0.923 42.529 42.059 -0.756 0.000 1.209 257 L HN 0.618 nan 8.230 nan 0.000 0.423 258 H N 3.951 122.867 119.070 -0.258 0.000 2.492 258 H HA 0.288 4.834 4.556 -0.017 0.000 0.345 258 H C -0.128 175.007 175.328 -0.321 0.000 1.136 258 H CA -0.681 55.189 56.048 -0.297 0.000 1.202 258 H CB 1.796 31.331 29.762 -0.379 0.000 1.524 258 H HN 0.560 nan 8.280 nan 0.000 0.506 259 N N 1.252 119.833 118.700 -0.198 0.000 2.738 259 N HA -0.187 4.543 4.740 -0.017 0.000 0.249 259 N C -0.370 175.084 175.510 -0.092 0.000 1.047 259 N CA 0.408 53.343 53.050 -0.191 0.000 0.707 259 N CB -1.415 36.901 38.487 -0.285 0.000 0.937 259 N HN 0.584 nan 8.380 nan 0.000 0.545 260 I N 0.636 121.154 120.570 -0.087 0.000 2.581 260 I HA 0.194 4.354 4.170 -0.017 0.000 0.285 260 I C 1.051 177.228 176.117 0.099 0.000 1.129 260 I CA 0.345 61.655 61.300 0.016 0.000 1.397 260 I CB 0.314 38.299 38.000 -0.026 0.000 1.399 260 I HN 0.315 nan 8.210 nan 0.000 0.537 261 A N 7.079 130.019 122.820 0.201 0.000 2.527 261 A HA 0.822 5.133 4.320 -0.017 0.000 0.293 261 A C -1.546 176.186 177.584 0.248 0.000 1.117 261 A CA -0.447 51.701 52.037 0.185 0.000 0.723 261 A CB 1.702 20.762 19.000 0.099 0.000 1.313 261 A HN 0.506 nan 8.150 nan 0.000 0.411 262 F N 0.362 120.316 119.950 0.006 0.000 2.557 262 F HA 0.594 5.111 4.527 -0.016 0.000 0.316 262 F C 0.105 175.916 175.800 0.019 0.000 1.141 262 F CA -0.430 57.504 58.000 -0.110 0.000 0.922 262 F CB 1.778 40.632 39.000 -0.243 0.000 1.194 262 F HN 0.619 nan 8.300 nan 0.000 0.443 263 R N 4.327 124.751 120.500 -0.125 0.000 2.248 263 R HA 0.196 4.526 4.340 -0.017 0.000 0.337 263 R C -1.242 175.141 176.300 0.140 0.000 1.106 263 R CA -0.208 55.893 56.100 0.002 0.000 0.959 263 R CB 0.025 30.266 30.300 -0.099 0.000 1.075 263 R HN 0.592 nan 8.270 nan 0.000 0.480 264 D N 4.234 124.816 120.400 0.304 0.000 2.473 264 D HA 0.302 4.932 4.640 -0.017 0.000 0.226 264 D C 0.843 177.242 176.300 0.165 0.000 1.089 264 D CA 0.851 55.063 54.000 0.354 0.000 0.883 264 D CB 0.993 42.063 40.800 0.450 0.000 1.029 264 D HN 0.760 nan 8.370 nan 0.000 0.517 265 G N 4.963 113.829 108.800 0.110 0.000 2.574 265 G HA2 -0.393 3.557 3.960 -0.017 0.000 0.301 265 G HA3 -0.393 3.557 3.960 -0.017 0.000 0.301 265 G C 0.798 175.722 174.900 0.041 0.000 1.166 265 G CA 0.578 45.713 45.100 0.058 0.000 0.971 265 G HN 0.531 nan 8.290 nan 0.000 0.542 266 D N 1.345 121.765 120.400 0.035 0.000 2.346 266 D HA 0.227 4.857 4.640 -0.017 0.000 0.206 266 D C 1.398 177.715 176.300 0.029 0.000 1.001 266 D CA 0.447 54.461 54.000 0.024 0.000 0.871 266 D CB 0.155 40.965 40.800 0.017 0.000 0.943 266 D HN 0.426 nan 8.370 nan 0.000 0.518 267 R N 0.927 121.451 120.500 0.041 0.000 2.294 267 R HA 0.370 4.701 4.340 -0.017 0.000 0.319 267 R C -0.876 175.463 176.300 0.064 0.000 0.984 267 R CA -0.976 55.148 56.100 0.039 0.000 0.861 267 R CB 1.568 31.883 30.300 0.024 0.000 1.104 267 R HN -0.004 nan 8.270 nan 0.000 0.451 268 L N 4.407 125.661 121.223 0.052 0.000 2.342 268 L HA 0.180 4.510 4.340 -0.017 0.000 0.285 268 L C -0.354 176.561 176.870 0.074 0.000 1.095 268 L CA 0.259 55.140 54.840 0.068 0.000 0.843 268 L CB 0.111 42.200 42.059 0.050 0.000 1.201 268 L HN 0.442 nan 8.230 nan 0.000 0.445 269 R N 6.466 127.045 120.500 0.132 0.000 2.229 269 R HA 0.427 4.757 4.340 -0.017 0.000 0.332 269 R C -2.298 174.092 176.300 0.151 0.000 0.989 269 R CA -1.810 54.373 56.100 0.139 0.000 0.842 269 R CB 0.638 31.054 30.300 0.193 0.000 1.119 269 R HN 0.461 nan 8.270 nan 0.000 0.456 270 P HA 0.043 nan 4.420 nan 0.000 0.269 270 P C -0.029 177.265 177.300 -0.010 0.000 1.209 270 P CA 0.230 63.315 63.100 -0.025 0.000 0.776 270 P CB 0.792 32.391 31.700 -0.168 0.000 0.876 271 I N 0.697 121.207 120.570 -0.100 0.000 3.746 271 I HA 0.239 4.399 4.170 -0.017 0.000 0.262 271 I C 0.523 176.504 176.117 -0.227 0.000 1.153 271 I CA 0.335 61.484 61.300 -0.251 0.000 1.395 271 I CB 0.275 38.016 38.000 -0.433 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.051 121.518 120.570 -0.172 0.000 2.499 272 I HA 0.190 4.350 4.170 -0.017 0.000 0.288 272 I C 0.273 176.305 176.117 -0.143 0.000 1.048 272 I CA -0.272 60.937 61.300 -0.151 0.000 1.062 272 I CB 2.116 40.029 38.000 -0.145 0.000 1.238 272 I HN 0.009 nan 8.210 nan 0.000 0.426 273 N N 4.495 123.127 118.700 -0.114 0.000 2.207 273 N HA 0.050 4.780 4.740 -0.017 0.000 0.182 273 N C 0.373 175.837 175.510 -0.076 0.000 1.020 273 N CA 1.282 54.292 53.050 -0.067 0.000 0.858 273 N CB 0.440 38.984 38.487 0.095 0.000 0.991 273 N HN 0.531 nan 8.380 nan 0.000 0.427 274 R N -0.497 119.935 120.500 -0.114 0.000 2.548 274 R HA 0.610 4.940 4.340 -0.017 0.000 0.280 274 R C -2.018 174.127 176.300 -0.258 0.000 1.061 274 R CA -0.656 55.326 56.100 -0.196 0.000 0.915 274 R CB 1.620 31.858 30.300 -0.104 0.000 1.210 274 R HN 0.105 nan 8.270 nan 0.000 0.442 275 A N 2.350 124.934 122.820 -0.393 0.000 2.319 275 A HA 0.675 4.986 4.320 -0.017 0.000 0.310 275 A C -0.960 176.361 177.584 -0.438 0.000 1.152 275 A CA -0.477 51.306 52.037 -0.425 0.000 0.783 275 A CB 1.397 19.981 19.000 -0.694 0.000 1.184 275 A HN 0.764 nan 8.150 nan 0.000 0.474 276 S N 1.699 117.324 115.700 -0.126 0.000 2.596 276 S HA 0.704 5.164 4.470 -0.017 0.000 0.270 276 S C -0.963 173.763 174.600 0.210 0.000 1.155 276 S CA -0.745 57.477 58.200 0.036 0.000 0.827 276 S CB 0.982 64.144 63.200 -0.064 0.000 1.130 276 S HN 0.515 nan 8.310 nan 0.000 0.467 277 I N 2.275 122.996 120.570 0.253 0.000 2.291 277 I HA 0.398 4.558 4.170 -0.017 0.000 0.292 277 I C 1.224 177.447 176.117 0.177 0.000 1.064 277 I CA -0.445 60.996 61.300 0.234 0.000 1.269 277 I CB 0.205 38.440 38.000 0.392 0.000 1.418 277 I HN 0.981 nan 8.210 nan 0.000 0.485 278 A N 5.120 128.025 122.820 0.143 0.000 2.147 278 A HA 0.187 4.497 4.320 -0.017 0.000 0.211 278 A C 0.731 178.388 177.584 0.122 0.000 1.160 278 A CA 0.641 52.785 52.037 0.178 0.000 0.781 278 A CB 0.234 19.355 19.000 0.202 0.000 0.842 278 A HN 0.627 nan 8.150 nan 0.000 0.475 279 E N -1.066 119.139 120.200 0.008 0.000 2.407 279 E HA 0.622 4.962 4.350 -0.017 0.000 0.279 279 E C -1.078 175.515 176.600 -0.012 0.000 1.012 279 E CA -0.439 55.922 56.400 -0.064 0.000 0.800 279 E CB 1.209 30.694 29.700 -0.357 0.000 1.276 279 E HN 0.390 nan 8.360 nan 0.000 0.452 280 M N 1.718 121.335 119.600 0.028 0.000 2.322 280 M HA 0.677 5.147 4.480 -0.017 0.000 0.285 280 M C -1.729 174.511 176.300 -0.099 0.000 1.119 280 M CA -1.045 54.163 55.300 -0.154 0.000 0.953 280 M CB 1.932 34.266 32.600 -0.444 0.000 1.701 280 M HN 0.241 nan 8.290 nan 0.000 0.479 281 V N 3.296 123.093 119.914 -0.196 0.000 2.769 281 V HA 0.820 4.930 4.120 -0.017 0.000 0.312 281 V C -1.290 174.598 176.094 -0.343 0.000 1.061 281 V CA -0.523 61.551 62.300 -0.376 0.000 0.931 281 V CB 2.492 33.921 31.823 -0.656 0.000 1.010 281 V HN 0.804 nan 8.190 nan 0.000 0.433 282 V N 8.027 127.758 119.914 -0.305 0.000 2.276 282 V HA 0.412 4.522 4.120 -0.017 0.000 0.268 282 V C -2.446 173.439 176.094 -0.349 0.000 1.032 282 V CA -1.339 60.780 62.300 -0.302 0.000 0.810 282 V CB 1.247 32.994 31.823 -0.128 0.000 1.060 282 V HN 0.805 nan 8.190 nan 0.000 0.446 283 P HA 0.346 nan 4.420 nan 0.000 0.285 283 P C -1.278 175.801 177.300 -0.369 0.000 1.259 283 P CA -0.316 62.601 63.100 -0.305 0.000 0.794 283 P CB 1.084 32.630 31.700 -0.256 0.000 0.940 284 Y N 0.526 120.663 120.300 -0.272 0.000 2.361 284 Y HA 0.476 5.016 4.550 -0.016 0.000 0.332 284 Y C 1.741 177.554 175.900 -0.145 0.000 1.101 284 Y CA 0.266 58.241 58.100 -0.209 0.000 1.137 284 Y CB 1.470 39.724 38.460 -0.343 0.000 1.207 284 Y HN 0.483 nan 8.280 nan 0.000 0.463 285 G N 1.071 109.888 108.800 0.027 0.000 3.605 285 G HA2 -0.008 3.942 3.960 -0.017 0.000 0.277 285 G HA3 -0.008 3.942 3.960 -0.017 0.000 0.277 285 G C -0.660 174.254 174.900 0.025 0.000 1.093 285 G CA -0.155 44.965 45.100 0.032 0.000 0.821 285 G HN 0.508 nan 8.290 nan 0.000 0.532 286 D N 1.268 121.664 120.400 -0.008 0.000 2.359 286 D HA 0.255 4.885 4.640 -0.017 0.000 0.230 286 D C -1.265 174.992 176.300 -0.072 0.000 1.118 286 D CA -2.357 51.606 54.000 -0.062 0.000 0.844 286 D CB 2.262 43.017 40.800 -0.076 0.000 1.059 286 D HN 0.032 nan 8.370 nan 0.000 0.493 287 P HA -0.020 nan 4.420 nan 0.000 0.242 287 P C 0.360 177.637 177.300 -0.038 0.000 1.197 287 P CA -0.067 63.009 63.100 -0.040 0.000 0.765 287 P CB 0.059 31.748 31.700 -0.019 0.000 0.936 288 S N 1.911 117.581 115.700 -0.051 0.000 2.546 288 S HA 0.076 4.536 4.470 -0.017 0.000 0.290 288 S C -1.186 173.412 174.600 -0.004 0.000 1.290 288 S CA -0.890 57.296 58.200 -0.024 0.000 1.069 288 S CB 0.208 63.381 63.200 -0.046 0.000 0.846 288 S HN -0.056 nan 8.310 nan 0.000 0.495 289 P HA -0.116 nan 4.420 nan 0.000 0.220 289 P C 1.194 178.619 177.300 0.209 0.000 1.144 289 P CA 0.784 63.956 63.100 0.120 0.000 0.800 289 P CB -0.035 31.743 31.700 0.130 0.000 0.772 290 I N -1.100 119.556 120.570 0.144 0.000 2.546 290 I HA -0.094 4.066 4.170 -0.017 0.000 0.255 290 I C 1.866 178.079 176.117 0.160 0.000 1.163 290 I CA 1.410 62.835 61.300 0.208 0.000 1.457 290 I CB -0.899 37.151 38.000 0.083 0.000 1.092 290 I HN 0.028 nan 8.210 nan 0.000 0.434 291 R N -0.475 119.924 120.500 -0.168 0.000 2.531 291 R HA 0.103 4.433 4.340 -0.017 0.000 0.316 291 R C 1.896 177.720 176.300 -0.793 0.000 0.955 291 R CA 0.421 56.144 56.100 -0.628 0.000 1.120 291 R CB 0.329 30.379 30.300 -0.416 0.000 1.361 291 R HN 0.266 nan 8.270 nan 0.000 0.534 292 S N 0.636 116.074 115.700 -0.436 0.000 2.547 292 S HA -0.094 4.366 4.470 -0.017 0.000 0.235 292 S C 1.378 175.749 174.600 -0.383 0.000 0.980 292 S CA 0.204 58.221 58.200 -0.306 0.000 0.941 292 S CB -0.357 62.763 63.200 -0.134 0.000 0.763 292 S HN 0.590 nan 8.310 nan 0.000 0.532 293 W N 0.690 121.771 121.300 -0.364 0.000 3.197 293 W HA 0.358 5.008 4.660 -0.016 0.000 0.274 293 W C -0.038 176.411 176.519 -0.117 0.000 1.297 293 W CA -0.706 56.292 57.345 -0.579 0.000 1.662 293 W CB -0.664 28.384 29.460 -0.687 0.000 1.106 293 W HN 0.261 nan 8.180 nan 0.000 0.663 294 Q N 2.728 122.038 119.800 -0.817 0.000 2.281 294 Q HA 0.132 4.462 4.340 -0.017 0.000 0.267 294 Q C -0.489 175.190 176.000 -0.535 0.000 1.053 294 Q CA 0.671 55.933 55.803 -0.903 0.000 0.905 294 Q CB 0.311 28.278 28.738 -1.284 0.000 1.195 294 Q HN 0.067 nan 8.270 nan 0.000 0.398 295 N N 3.441 121.839 118.700 -0.504 0.000 2.599 295 N HA 0.163 4.893 4.740 -0.017 0.000 0.283 295 N C -1.664 173.669 175.510 -0.295 0.000 1.160 295 N CA -0.310 52.522 53.050 -0.365 0.000 0.869 295 N CB 1.181 39.606 38.487 -0.103 0.000 1.448 295 N HN 0.451 nan 8.380 nan 0.000 0.535 296 Y N 1.191 121.513 120.300 0.036 0.000 2.385 296 Y HA 0.377 4.917 4.550 -0.017 0.000 0.341 296 Y C 0.084 176.041 175.900 0.095 0.000 0.965 296 Y CA -0.900 57.310 58.100 0.184 0.000 1.180 296 Y CB 0.606 39.148 38.460 0.137 0.000 1.139 296 Y HN 0.367 nan 8.280 nan 0.000 0.502 297 F N 3.380 123.556 119.950 0.377 0.000 2.515 297 F HA 0.121 4.638 4.527 -0.017 0.000 0.353 297 F C 0.964 176.970 175.800 0.343 0.000 1.213 297 F CA -0.458 57.697 58.000 0.259 0.000 1.194 297 F CB 0.068 39.172 39.000 0.173 0.000 1.488 297 F HN 0.583 nan 8.300 nan 0.000 0.619 298 D N 0.711 121.353 120.400 0.402 0.000 2.123 298 D HA -0.146 4.484 4.640 -0.017 0.000 0.196 298 D C 2.116 178.646 176.300 0.383 0.000 0.992 298 D CA 1.632 55.872 54.000 0.401 0.000 0.833 298 D CB -0.138 40.821 40.800 0.265 0.000 0.954 298 D HN 0.375 nan 8.370 nan 0.000 0.455 299 T N -0.233 114.479 114.554 0.263 0.000 2.698 299 T HA -0.025 4.315 4.350 -0.017 0.000 0.260 299 T C 1.991 176.751 174.700 0.099 0.000 1.044 299 T CA 1.492 63.692 62.100 0.166 0.000 1.149 299 T CB -0.639 68.292 68.868 0.105 0.000 0.864 299 T HN 0.249 nan 8.240 nan 0.000 0.419 300 G N 0.687 109.543 108.800 0.094 0.000 2.403 300 G HA2 -0.090 3.860 3.960 -0.017 0.000 0.216 300 G HA3 -0.090 3.860 3.960 -0.017 0.000 0.216 300 G C 1.468 176.357 174.900 -0.018 0.000 1.154 300 G CA 0.456 45.516 45.100 -0.066 0.000 0.784 300 G HN 0.483 nan 8.290 nan 0.000 0.538 301 E N -1.138 119.138 120.200 0.127 0.000 2.127 301 E HA 0.092 4.432 4.350 -0.017 0.000 0.191 301 E C 1.806 178.395 176.600 -0.019 0.000 0.964 301 E CA 0.363 56.781 56.400 0.030 0.000 0.832 301 E CB 0.075 29.810 29.700 0.059 0.000 0.790 301 E HN 0.559 nan 8.360 nan 0.000 0.465 302 Y N -0.066 120.392 120.300 0.263 0.000 2.507 302 Y HA 0.269 4.809 4.550 -0.017 0.000 0.263 302 Y C -0.063 176.057 175.900 0.367 0.000 1.093 302 Y CA -0.002 58.318 58.100 0.367 0.000 1.285 302 Y CB 0.616 39.312 38.460 0.394 0.000 1.115 302 Y HN -0.152 nan 8.280 nan 0.000 0.533 303 L N 0.650 122.084 121.223 0.351 0.000 2.706 303 L HA -0.195 4.135 4.340 -0.017 0.000 0.666 303 L C 0.938 177.946 176.870 0.230 0.000 1.021 303 L CA -0.036 54.920 54.840 0.193 0.000 1.360 303 L CB -1.482 40.640 42.059 0.104 0.000 1.957 303 L HN 0.134 nan 8.230 nan 0.000 0.920 304 V N -0.317 119.724 119.914 0.213 0.000 2.515 304 V HA -0.048 4.062 4.120 -0.017 0.000 0.250 304 V C 2.175 178.409 176.094 0.233 0.000 1.058 304 V CA 1.997 64.475 62.300 0.296 0.000 1.064 304 V CB -0.412 31.566 31.823 0.259 0.000 0.675 304 V HN 0.852 nan 8.190 nan 0.000 0.461 305 G N 1.253 110.046 108.800 -0.012 0.000 2.422 305 G HA2 -0.308 3.642 3.960 -0.017 0.000 0.218 305 G HA3 -0.308 3.642 3.960 -0.017 0.000 0.218 305 G C 1.579 176.551 174.900 0.120 0.000 1.146 305 G CA 1.055 46.084 45.100 -0.118 0.000 0.769 305 G HN 0.802 nan 8.290 nan 0.000 0.547 306 Q N -0.879 118.879 119.800 -0.070 0.000 2.226 306 Q HA -0.091 4.239 4.340 -0.017 0.000 0.204 306 Q C 1.252 177.088 176.000 -0.273 0.000 0.975 306 Q CA 1.116 56.781 55.803 -0.230 0.000 0.866 306 Q CB -0.379 28.087 28.738 -0.453 0.000 0.915 306 Q HN 0.530 nan 8.270 nan 0.000 0.440 307 Y N 0.863 121.320 120.300 0.262 0.000 2.532 307 Y HA 0.483 5.023 4.550 -0.017 0.000 0.283 307 Y C 0.594 176.677 175.900 0.305 0.000 1.181 307 Y CA -0.750 57.512 58.100 0.270 0.000 1.256 307 Y CB -0.219 38.412 38.460 0.286 0.000 1.112 307 Y HN 0.167 nan 8.280 nan 0.000 0.521 308 A N 0.919 123.991 122.820 0.420 0.000 2.520 308 A HA 0.061 4.371 4.320 -0.017 0.000 0.245 308 A C 0.329 178.110 177.584 0.329 0.000 1.072 308 A CA -0.277 52.040 52.037 0.466 0.000 0.761 308 A CB -0.310 18.980 19.000 0.483 0.000 1.004 308 A HN 0.602 nan 8.150 nan 0.000 0.499 309 N N 1.073 119.972 118.700 0.333 0.000 2.482 309 N HA 0.239 4.969 4.740 -0.017 0.000 0.260 309 N C -0.303 175.302 175.510 0.159 0.000 1.236 309 N CA -0.205 52.980 53.050 0.225 0.000 0.938 309 N CB 0.574 39.182 38.487 0.202 0.000 1.128 309 N HN 0.567 nan 8.380 nan 0.000 0.448 310 S N 1.580 117.334 115.700 0.090 0.000 2.448 310 S HA 0.181 4.641 4.470 -0.017 0.000 0.279 310 S C 0.040 174.647 174.600 0.013 0.000 1.195 310 S CA -0.511 57.704 58.200 0.025 0.000 1.051 310 S CB -0.030 63.166 63.200 -0.007 0.000 0.948 310 S HN 0.278 nan 8.310 nan 0.000 0.493 311 L N 3.052 124.278 121.223 0.005 0.000 2.276 311 L HA 0.472 4.802 4.340 -0.017 0.000 0.286 311 L C 0.812 177.660 176.870 -0.036 0.000 1.061 311 L CA -0.542 54.324 54.840 0.042 0.000 0.807 311 L CB 0.426 42.595 42.059 0.184 0.000 1.177 311 L HN 0.660 nan 8.230 nan 0.000 0.429 312 E N 3.073 123.271 120.200 -0.002 0.000 2.259 312 E HA 0.614 4.954 4.350 -0.017 0.000 0.281 312 E C 0.042 176.671 176.600 0.049 0.000 1.027 312 E CA -0.452 55.939 56.400 -0.015 0.000 0.838 312 E CB 1.109 30.803 29.700 -0.010 0.000 1.066 312 E HN 0.625 nan 8.360 nan 0.000 0.401 313 L N 1.365 122.618 121.223 0.051 0.000 2.559 313 L HA 0.534 4.864 4.340 -0.017 0.000 0.274 313 L C 1.988 178.906 176.870 0.081 0.000 1.205 313 L CA 0.921 55.843 54.840 0.137 0.000 0.907 313 L CB -0.719 nan 42.059 nan 0.000 1.153 313 L HN 2.057 nan 8.230 nan 0.000 0.490 314 G N 0.540 109.386 108.800 0.077 0.000 2.217 314 G HA2 -0.272 3.678 3.960 -0.017 0.000 0.246 314 G HA3 -0.272 3.678 3.960 -0.017 0.000 0.246 314 G C 1.062 175.976 174.900 0.024 0.000 0.990 314 G CA 1.057 46.180 45.100 0.038 0.000 0.627 314 G HN 1.539 nan 8.290 nan 0.000 0.522 315 C N -0.695 118.621 119.300 0.027 0.000 2.341 315 C HA 0.345 4.795 4.460 -0.017 0.000 0.372 315 C C 2.209 177.201 174.990 0.005 0.000 1.430 315 C CA 1.593 60.616 59.018 0.008 0.000 2.316 315 C CB -0.195 27.544 27.740 -0.002 0.000 2.416 315 C HN 0.510 nan 8.230 nan 0.000 0.583 316 D N -0.371 120.042 120.400 0.022 0.000 2.213 316 D HA 0.081 4.712 4.640 -0.017 0.000 0.205 316 D C 0.258 176.606 176.300 0.080 0.000 0.961 316 D CA 1.030 55.049 54.000 0.032 0.000 0.853 316 D CB 0.150 40.977 40.800 0.046 0.000 0.967 316 D HN 0.391 nan 8.370 nan 0.000 0.496 317 c N 1.669 120.307 118.600 0.062 0.000 2.383 317 c HA 0.457 5.017 4.570 -0.017 0.000 0.330 317 c C -0.374 173.657 174.090 -0.098 0.000 1.168 317 c CA -1.114 55.191 56.329 -0.040 0.000 1.374 317 c CB 0.728 43.215 42.510 -0.038 0.000 2.014 317 c HN 0.148 nan 8.230 nan 0.000 0.439 318 L N 4.178 125.314 121.223 -0.144 0.000 2.325 318 L HA 0.958 5.288 4.340 -0.017 0.000 0.279 318 L C 0.539 177.326 176.870 -0.138 0.000 1.054 318 L CA 1.780 56.566 54.840 -0.091 0.000 0.804 318 L CB 1.010 43.050 42.059 -0.030 0.000 1.200 318 L HN 1.066 nan 8.230 nan 0.000 0.436 319 G N 3.269 112.033 108.800 -0.060 0.000 2.384 319 G HA2 -0.131 3.819 3.960 -0.017 0.000 0.204 319 G HA3 -0.131 3.819 3.960 -0.017 0.000 0.204 319 G C -1.201 173.693 174.900 -0.011 0.000 1.237 319 G CA -0.265 44.824 45.100 -0.018 0.000 1.060 319 G HN 0.718 nan 8.290 nan 0.000 0.514 320 D N 1.397 121.814 120.400 0.028 0.000 2.393 320 D HA 0.435 5.065 4.640 -0.017 0.000 0.232 320 D C 0.225 176.548 176.300 0.038 0.000 1.192 320 D CA -0.184 53.833 54.000 0.028 0.000 0.882 320 D CB 0.125 40.944 40.800 0.033 0.000 1.038 320 D HN 0.371 nan 8.370 nan 0.000 0.499 321 I N 2.592 123.137 120.570 -0.043 0.000 2.412 321 I HA 0.235 4.395 4.170 -0.017 0.000 0.296 321 I C 0.669 176.689 176.117 -0.162 0.000 0.987 321 I CA -0.571 60.629 61.300 -0.167 0.000 1.180 321 I CB 1.484 39.186 38.000 -0.496 0.000 1.340 321 I HN 0.115 nan 8.210 nan 0.000 0.455 322 T N 6.136 120.655 114.554 -0.059 0.000 2.779 322 T HA 0.548 4.888 4.350 -0.017 0.000 0.280 322 T C -0.662 173.970 174.700 -0.115 0.000 0.987 322 T CA -0.284 61.831 62.100 0.025 0.000 0.966 322 T CB 0.640 69.678 68.868 0.284 0.000 0.933 322 T HN 0.175 nan 8.240 nan 0.000 0.442 323 Y N 1.879 122.234 120.300 0.092 0.000 2.420 323 Y HA 0.620 5.160 4.550 -0.016 0.000 0.334 323 Y C 0.191 176.110 175.900 0.033 0.000 1.094 323 Y CA -1.214 56.919 58.100 0.054 0.000 1.126 323 Y CB 1.075 39.557 38.460 0.037 0.000 1.217 323 Y HN 0.391 nan 8.280 nan 0.000 0.462 324 L N 1.443 122.769 121.223 0.172 0.000 2.331 324 L HA 0.559 4.889 4.340 -0.017 0.000 0.275 324 L C -0.264 176.614 176.870 0.014 0.000 1.022 324 L CA -0.678 54.204 54.840 0.071 0.000 0.812 324 L CB 1.699 43.770 42.059 0.019 0.000 1.257 324 L HN 0.528 nan 8.230 nan 0.000 0.435 325 S N 2.595 118.278 115.700 -0.028 0.000 2.269 325 S HA 0.338 4.798 4.470 -0.017 0.000 0.194 325 S C -2.364 172.161 174.600 -0.125 0.000 1.547 325 S CA -1.041 57.111 58.200 -0.079 0.000 1.186 325 S CB 0.673 63.848 63.200 -0.043 0.000 1.069 325 S HN 0.369 nan 8.310 nan 0.000 0.473 326 P HA 0.288 nan 4.420 nan 0.000 0.274 326 P C -0.700 176.508 177.300 -0.153 0.000 1.237 326 P CA -0.371 62.579 63.100 -0.250 0.000 0.793 326 P CB 0.808 32.128 31.700 -0.633 0.000 0.977 327 V N 3.460 123.347 119.914 -0.046 0.000 2.513 327 V HA 0.466 4.576 4.120 -0.017 0.000 0.299 327 V C 0.684 176.800 176.094 0.035 0.000 1.035 327 V CA -0.536 61.759 62.300 -0.008 0.000 0.889 327 V CB 1.169 32.996 31.823 0.006 0.000 0.988 327 V HN 0.495 nan 8.190 nan 0.000 0.440 328 I N 0.930 121.513 120.570 0.022 0.000 3.206 328 I HA 0.797 4.957 4.170 -0.017 0.000 0.313 328 I C -0.193 175.916 176.117 -0.013 0.000 1.103 328 I CA -0.661 60.652 61.300 0.022 0.000 0.985 328 I CB 2.338 40.359 38.000 0.035 0.000 1.240 328 I HN 0.512 nan 8.210 nan 0.000 0.464 329 S N 1.311 116.985 115.700 -0.044 0.000 2.541 329 S HA 0.350 4.810 4.470 -0.017 0.000 0.283 329 S C -0.459 174.116 174.600 -0.042 0.000 1.196 329 S CA -0.572 57.599 58.200 -0.049 0.000 1.062 329 S CB 0.603 63.755 63.200 -0.080 0.000 1.009 329 S HN 0.807 nan 8.310 nan 0.000 0.502 330 D N 3.246 123.641 120.400 -0.007 0.000 2.398 330 D HA 0.356 4.986 4.640 -0.017 0.000 0.264 330 D C 1.299 177.568 176.300 -0.053 0.000 1.263 330 D CA -0.006 53.996 54.000 0.003 0.000 1.037 330 D CB -0.113 40.738 40.800 0.084 0.000 1.101 330 D HN 0.473 nan 8.370 nan 0.000 0.551 331 A N -1.231 121.507 122.820 -0.138 0.000 2.121 331 A HA -0.010 4.300 4.320 -0.017 0.000 0.218 331 A C 1.602 178.877 177.584 -0.516 0.000 1.154 331 A CA 0.726 52.533 52.037 -0.385 0.000 0.679 331 A CB -0.867 17.775 19.000 -0.596 0.000 0.795 331 A HN 0.471 nan 8.150 nan 0.000 0.458 332 F N -1.514 118.433 119.950 -0.005 0.000 2.678 332 F HA 0.400 4.917 4.527 -0.017 0.000 0.305 332 F C 1.719 177.507 175.800 -0.021 0.000 1.090 332 F CA 0.409 58.404 58.000 -0.008 0.000 1.272 332 F CB 0.338 39.334 39.000 -0.007 0.000 1.060 332 F HN 0.299 nan 8.300 nan 0.000 0.576 333 G N 0.280 109.130 108.800 0.083 0.000 2.157 333 G HA2 -0.260 3.690 3.960 -0.017 0.000 0.239 333 G HA3 -0.260 3.690 3.960 -0.017 0.000 0.239 333 G C -0.036 174.874 174.900 0.016 0.000 0.982 333 G CA -0.447 44.664 45.100 0.020 0.000 0.650 333 G HN 0.263 nan 8.290 nan 0.000 0.527 334 N N 2.019 120.753 118.700 0.058 0.000 2.529 334 N HA 0.415 5.145 4.740 -0.017 0.000 0.278 334 N C -2.460 173.055 175.510 0.009 0.000 1.146 334 N CA -1.038 52.030 53.050 0.030 0.000 0.980 334 N CB 1.456 39.972 38.487 0.049 0.000 1.124 334 N HN 0.186 nan 8.380 nan 0.000 0.458 335 P HA 0.171 nan 4.420 nan 0.000 0.275 335 P C -0.544 176.755 177.300 -0.001 0.000 1.227 335 P CA -0.051 63.041 63.100 -0.013 0.000 0.781 335 P CB 1.057 32.744 31.700 -0.022 0.000 0.906 336 R N 1.664 122.163 120.500 -0.001 0.000 2.514 336 R HA 0.243 4.573 4.340 -0.017 0.000 0.296 336 R C -0.522 175.774 176.300 -0.008 0.000 1.012 336 R CA -0.565 55.537 56.100 0.003 0.000 0.897 336 R CB 1.420 31.728 30.300 0.012 0.000 1.184 336 R HN 0.457 nan 8.270 nan 0.000 0.440 337 E N 4.855 125.047 120.200 -0.014 0.000 2.313 337 E HA 0.139 4.479 4.350 -0.017 0.000 0.276 337 E C -0.553 176.024 176.600 -0.038 0.000 1.031 337 E CA -0.390 55.991 56.400 -0.032 0.000 0.857 337 E CB 0.830 30.513 29.700 -0.028 0.000 1.040 337 E HN 0.533 nan 8.360 nan 0.000 0.408 338 I N 5.479 126.003 120.570 -0.077 0.000 2.276 338 I HA 0.182 4.342 4.170 -0.017 0.000 0.290 338 I C 0.535 176.600 176.117 -0.088 0.000 1.109 338 I CA -0.374 60.880 61.300 -0.077 0.000 1.229 338 I CB 0.446 38.370 38.000 -0.127 0.000 1.452 338 I HN 0.382 nan 8.210 nan 0.000 0.497 339 R N 6.556 127.020 120.500 -0.060 0.000 2.484 339 R HA -0.001 4.329 4.340 -0.017 0.000 0.293 339 R C 0.222 176.454 176.300 -0.112 0.000 1.023 339 R CA 0.165 56.218 56.100 -0.078 0.000 1.037 339 R CB 0.186 30.445 30.300 -0.068 0.000 0.951 339 R HN 0.596 nan 8.270 nan 0.000 0.418 340 N N 2.598 121.216 118.700 -0.137 0.000 2.725 340 N HA -0.176 4.554 4.740 -0.017 0.000 0.251 340 N C 0.440 175.927 175.510 -0.038 0.000 1.031 340 N CA 1.158 54.083 53.050 -0.209 0.000 0.720 340 N CB -1.159 36.919 38.487 -0.682 0.000 0.930 340 N HN 0.901 nan 8.380 nan 0.000 0.543 341 G N -1.068 107.722 108.800 -0.017 0.000 2.683 341 G HA2 0.263 4.213 3.960 -0.017 0.000 0.213 341 G HA3 0.263 4.213 3.960 -0.017 0.000 0.213 341 G C 0.524 175.482 174.900 0.097 0.000 1.142 341 G CA 0.136 45.240 45.100 0.007 0.000 0.793 341 G HN 0.436 nan 8.290 nan 0.000 0.534 342 I N 0.653 121.287 120.570 0.107 0.000 2.436 342 I HA 0.314 4.474 4.170 -0.017 0.000 0.289 342 I C -0.708 175.530 176.117 0.202 0.000 1.010 342 I CA -0.893 60.495 61.300 0.146 0.000 1.098 342 I CB 2.343 40.370 38.000 0.044 0.000 1.266 342 I HN -0.171 nan 8.210 nan 0.000 0.434 343 c N 6.964 125.662 118.600 0.163 0.000 2.341 343 c HA 0.672 5.232 4.570 -0.017 0.000 0.338 343 c C 0.077 174.166 174.090 -0.002 0.000 1.257 343 c CA -0.530 55.820 56.329 0.036 0.000 1.883 343 c CB 0.651 43.212 42.510 0.085 0.000 2.334 343 c HN 0.665 nan 8.230 nan 0.000 0.524 344 M N 5.589 125.143 119.600 -0.075 0.000 2.204 344 M HA 0.463 4.933 4.480 -0.017 0.000 0.293 344 M C -0.678 175.591 176.300 -0.051 0.000 0.994 344 M CA -0.141 55.047 55.300 -0.187 0.000 0.925 344 M CB 1.674 34.074 32.600 -0.335 0.000 1.577 344 M HN 0.936 nan 8.290 nan 0.000 0.439 345 H N 1.026 119.935 119.070 -0.267 0.000 3.014 345 H HA 0.529 5.075 4.556 -0.016 0.000 0.337 345 H C -1.936 173.303 175.328 -0.149 0.000 1.320 345 H CA -1.059 54.967 56.048 -0.038 0.000 1.128 345 H CB 1.164 30.931 29.762 0.009 0.000 1.862 345 H HN 0.733 nan 8.280 nan 0.000 0.536 346 E N 1.214 121.428 120.200 0.023 0.000 2.191 346 E HA 0.475 4.816 4.350 -0.017 0.000 0.274 346 E C -0.762 175.864 176.600 0.044 0.000 0.948 346 E CA -0.927 55.394 56.400 -0.132 0.000 0.802 346 E CB 2.448 32.207 29.700 0.098 0.000 1.137 346 E HN 0.723 nan 8.360 nan 0.000 0.397 347 E N 2.154 122.352 120.200 -0.002 0.000 2.367 347 E HA 0.248 4.588 4.350 -0.017 0.000 0.273 347 E C -1.310 175.413 176.600 0.205 0.000 0.903 347 E CA -1.047 55.437 56.400 0.140 0.000 0.764 347 E CB 1.494 31.296 29.700 0.170 0.000 1.252 347 E HN 0.521 nan 8.360 nan 0.000 0.446 348 D N 1.392 121.924 120.400 0.221 0.000 2.472 348 D HA -0.082 4.549 4.640 -0.017 0.000 0.237 348 D C -0.944 175.568 176.300 0.354 0.000 1.141 348 D CA 0.305 54.445 54.000 0.234 0.000 0.875 348 D CB 0.491 41.376 40.800 0.141 0.000 1.192 348 D HN 0.509 nan 8.370 nan 0.000 0.450 349 W N 5.824 127.170 121.300 0.077 0.000 1.187 349 W HA 0.375 5.024 4.660 -0.017 0.000 0.297 349 W C 0.243 176.800 176.519 0.063 0.000 0.842 349 W CA 0.158 57.548 57.345 0.075 0.000 2.286 349 W CB 0.056 29.607 29.460 0.151 0.000 1.736 349 W HN 0.830 nan 8.180 nan 0.000 0.507 350 G N 1.910 110.664 108.800 -0.077 0.000 2.539 350 G HA2 -0.330 3.620 3.960 -0.017 0.000 0.256 350 G HA3 -0.330 3.620 3.960 -0.017 0.000 0.256 350 G C -0.523 174.361 174.900 -0.027 0.000 1.233 350 G CA -0.093 44.925 45.100 -0.137 0.000 0.936 350 G HN 0.159 nan 8.290 nan 0.000 0.571 351 I N 1.003 121.549 120.570 -0.040 0.000 2.428 351 I HA 0.335 4.495 4.170 -0.017 0.000 0.289 351 I C 1.477 177.624 176.117 0.051 0.000 1.019 351 I CA -0.520 60.783 61.300 0.005 0.000 1.351 351 I CB 1.504 39.498 38.000 -0.010 0.000 1.412 351 I HN 0.581 nan 8.210 nan 0.000 0.513 352 L N 7.015 128.284 121.223 0.077 0.000 2.200 352 L HA 0.476 4.806 4.340 -0.017 0.000 0.200 352 L C 0.539 177.468 176.870 0.098 0.000 1.072 352 L CA 1.049 55.954 54.840 0.109 0.000 0.787 352 L CB 0.022 42.153 42.059 0.121 0.000 0.957 352 L HN 0.679 nan 8.230 nan 0.000 0.459 353 A N -0.587 122.298 122.820 0.108 0.000 2.589 353 A HA 0.654 4.964 4.320 -0.017 0.000 0.296 353 A C -1.088 176.610 177.584 0.191 0.000 1.062 353 A CA -0.605 51.525 52.037 0.155 0.000 0.686 353 A CB 1.110 20.248 19.000 0.231 0.000 1.282 353 A HN 0.036 nan 8.150 nan 0.000 0.404 354 K N 0.849 121.368 120.400 0.198 0.000 2.557 354 K HA 0.577 4.887 4.320 -0.017 0.000 0.257 354 K C -2.138 174.611 176.600 0.248 0.000 0.933 354 K CA -0.502 55.911 56.287 0.210 0.000 0.820 354 K CB 1.720 34.280 32.500 0.100 0.000 1.330 354 K HN 1.051 nan 8.250 nan 0.000 0.432 355 H N 0.205 119.354 119.070 0.132 0.000 3.086 355 H HA 0.428 4.974 4.556 -0.017 0.000 0.353 355 H C -1.867 173.488 175.328 0.045 0.000 1.134 355 H CA -0.394 55.681 56.048 0.045 0.000 1.248 355 H CB 1.963 31.718 29.762 -0.011 0.000 1.878 355 H HN 0.412 nan 8.280 nan 0.000 0.527 356 S N 3.874 119.231 115.700 -0.572 0.000 2.566 356 S HA 0.202 4.662 4.470 -0.017 0.000 0.324 356 S C -0.928 173.215 174.600 -0.761 0.000 1.081 356 S CA -0.683 57.240 58.200 -0.461 0.000 1.105 356 S CB 0.646 63.710 63.200 -0.227 0.000 0.981 356 S HN 0.647 nan 8.310 nan 0.000 0.464 357 D N 2.073 122.126 120.400 -0.578 0.000 2.280 357 D HA 0.341 4.971 4.640 -0.017 0.000 0.236 357 D C 0.883 177.064 176.300 -0.199 0.000 1.082 357 D CA -0.620 53.147 54.000 -0.389 0.000 0.834 357 D CB 0.990 41.741 40.800 -0.082 0.000 1.100 357 D HN 0.255 nan 8.370 nan 0.000 0.486 358 L N 5.188 126.263 121.223 -0.248 0.000 2.027 358 L HA 0.010 4.340 4.340 -0.017 0.000 0.206 358 L C 1.350 178.223 176.870 0.005 0.000 1.074 358 L CA 1.560 56.299 54.840 -0.167 0.000 0.745 358 L CB -0.382 41.516 42.059 -0.268 0.000 0.898 358 L HN 0.608 nan 8.230 nan 0.000 0.433 359 W N -0.419 120.885 121.300 0.007 0.000 2.418 359 W HA -0.023 4.634 4.660 -0.005 0.000 0.292 359 W C 2.929 179.452 176.519 0.007 0.000 1.213 359 W CA 1.308 58.659 57.345 0.009 0.000 1.283 359 W CB -1.671 27.799 29.460 0.017 0.000 1.119 359 W HN 0.516 nan 8.180 nan 0.000 0.542 360 S N -0.704 115.126 115.700 0.217 0.000 2.478 360 S HA 0.238 4.698 4.470 -0.017 0.000 0.222 360 S C 1.840 176.485 174.600 0.076 0.000 1.008 360 S CA 0.969 59.248 58.200 0.131 0.000 0.928 360 S CB -0.218 63.049 63.200 0.111 0.000 0.781 360 S HN 0.401 nan 8.310 nan 0.000 0.518 361 G N 1.153 109.982 108.800 0.050 0.000 2.189 361 G HA2 -0.253 3.697 3.960 -0.017 0.000 0.267 361 G HA3 -0.253 3.697 3.960 -0.017 0.000 0.267 361 G C 0.047 174.951 174.900 0.007 0.000 0.975 361 G CA 0.493 45.605 45.100 0.019 0.000 0.644 361 G HN 0.620 nan 8.290 nan 0.000 0.537 362 I N 1.432 122.009 120.570 0.011 0.000 2.342 362 I HA 0.257 4.417 4.170 -0.017 0.000 0.291 362 I C -0.362 175.755 176.117 -0.000 0.000 1.010 362 I CA -0.741 60.574 61.300 0.025 0.000 1.308 362 I CB 0.885 38.917 38.000 0.054 0.000 1.400 362 I HN -0.007 nan 8.210 nan 0.000 0.488 363 N N 6.664 125.376 118.700 0.020 0.000 2.400 363 N HA 0.370 5.100 4.740 -0.017 0.000 0.288 363 N C -1.316 174.263 175.510 0.114 0.000 1.024 363 N CA -0.445 52.618 53.050 0.020 0.000 0.894 363 N CB 2.175 40.654 38.487 -0.013 0.000 1.173 363 N HN 0.495 nan 8.380 nan 0.000 0.487 364 Y N 0.520 120.806 120.300 -0.023 0.000 2.433 364 Y HA 0.417 4.959 4.550 -0.014 0.000 0.337 364 Y C -1.253 174.654 175.900 0.012 0.000 1.026 364 Y CA -0.337 57.767 58.100 0.007 0.000 1.037 364 Y CB 1.715 40.196 38.460 0.033 0.000 1.245 364 Y HN 0.365 nan 8.280 nan 0.000 0.443 365 T N 6.762 121.148 114.554 -0.280 0.000 2.971 365 T HA 0.583 4.923 4.350 -0.017 0.000 0.304 365 T C -1.296 173.202 174.700 -0.338 0.000 1.038 365 T CA -0.991 60.993 62.100 -0.193 0.000 1.007 365 T CB 1.241 70.056 68.868 -0.090 0.000 1.055 365 T HN 0.431 nan 8.240 nan 0.000 0.451 366 R N 1.876 122.252 120.500 -0.207 0.000 2.744 366 R HA 0.565 4.895 4.340 -0.017 0.000 0.279 366 R C -0.641 175.642 176.300 -0.027 0.000 0.977 366 R CA -1.013 54.999 56.100 -0.147 0.000 0.906 366 R CB 1.817 32.039 30.300 -0.129 0.000 1.197 366 R HN 0.446 nan 8.270 nan 0.000 0.463 367 R N 1.367 121.866 120.500 -0.001 0.000 2.457 367 R HA 0.321 4.651 4.340 -0.017 0.000 0.284 367 R C 0.281 176.646 176.300 0.110 0.000 1.024 367 R CA -0.866 55.263 56.100 0.049 0.000 1.025 367 R CB 0.705 31.036 30.300 0.052 0.000 1.063 367 R HN 0.448 nan 8.270 nan 0.000 0.493 368 N N 1.230 120.031 118.700 0.168 0.000 2.476 368 N HA 0.343 5.073 4.740 -0.017 0.000 0.275 368 N C -0.700 175.014 175.510 0.341 0.000 1.190 368 N CA -0.211 53.007 53.050 0.279 0.000 0.977 368 N CB 1.007 39.716 38.487 0.370 0.000 1.200 368 N HN 0.352 nan 8.380 nan 0.000 0.515 369 R N -0.071 120.679 120.500 0.416 0.000 2.739 369 R HA 0.483 4.813 4.340 -0.017 0.000 0.271 369 R C -0.843 175.702 176.300 0.409 0.000 1.010 369 R CA -0.841 55.518 56.100 0.432 0.000 0.897 369 R CB 2.354 32.950 30.300 0.494 0.000 1.236 369 R HN 0.695 nan 8.270 nan 0.000 0.466 370 R N 0.961 121.507 120.500 0.076 0.000 2.725 370 R HA 0.558 4.888 4.340 -0.017 0.000 0.277 370 R C -1.172 174.680 176.300 -0.747 0.000 0.987 370 R CA -1.014 54.834 56.100 -0.419 0.000 0.901 370 R CB 1.702 31.358 30.300 -1.074 0.000 1.207 370 R HN 0.392 nan 8.270 nan 0.000 0.463 371 M N 2.614 121.469 119.600 -1.241 0.000 2.188 371 M HA 0.326 4.796 4.480 -0.017 0.000 0.357 371 M C -1.544 174.281 176.300 -0.792 0.000 1.204 371 M CA -0.489 54.027 55.300 -1.306 0.000 1.095 371 M CB 1.691 33.288 32.600 -1.671 0.000 1.604 371 M HN 0.516 nan 8.290 nan 0.000 0.464 372 V N 7.203 126.695 119.914 -0.703 0.000 2.448 372 V HA 0.555 4.665 4.120 -0.017 0.000 0.295 372 V C -0.602 175.268 176.094 -0.374 0.000 1.025 372 V CA -0.557 61.475 62.300 -0.448 0.000 0.859 372 V CB 1.562 33.093 31.823 -0.488 0.000 0.988 372 V HN 0.786 nan 8.190 nan 0.000 0.431 373 I N 4.749 125.180 120.570 -0.232 0.000 2.439 373 I HA 0.628 4.788 4.170 -0.017 0.000 0.285 373 I C -0.073 176.037 176.117 -0.012 0.000 1.021 373 I CA 0.019 61.248 61.300 -0.120 0.000 1.091 373 I CB 1.940 39.866 38.000 -0.123 0.000 1.242 373 I HN 0.749 nan 8.210 nan 0.000 0.439 374 S N 5.635 121.334 115.700 -0.001 0.000 2.588 374 S HA 0.881 5.341 4.470 -0.017 0.000 0.275 374 S C -0.877 173.811 174.600 0.146 0.000 1.130 374 S CA -0.727 57.411 58.200 -0.104 0.000 0.855 374 S CB 2.494 65.361 63.200 -0.554 0.000 1.116 374 S HN 0.523 nan 8.310 nan 0.000 0.472 375 F N -0.937 118.972 119.950 -0.069 0.000 2.662 375 F HA 0.900 5.417 4.527 -0.017 0.000 0.312 375 F C -2.230 173.648 175.800 0.130 0.000 1.113 375 F CA -1.738 56.319 58.000 0.095 0.000 0.951 375 F CB 1.042 40.151 39.000 0.181 0.000 1.344 375 F HN 0.600 nan 8.300 nan 0.000 0.462 376 F N 1.196 121.140 119.950 -0.010 0.000 2.539 376 F HA 0.638 5.155 4.527 -0.017 0.000 0.318 376 F C -0.222 175.679 175.800 0.169 0.000 1.135 376 F CA -0.387 57.602 58.000 -0.018 0.000 0.915 376 F CB 2.130 41.164 39.000 0.057 0.000 1.176 376 F HN 0.881 nan 8.300 nan 0.000 0.440 377 T N 2.520 117.285 114.554 0.352 0.000 2.932 377 T HA 0.677 5.017 4.350 -0.017 0.000 0.289 377 T C -0.988 173.967 174.700 0.426 0.000 1.039 377 T CA -0.278 62.102 62.100 0.467 0.000 1.024 377 T CB 1.328 70.511 68.868 0.525 0.000 1.090 377 T HN 0.558 nan 8.240 nan 0.000 0.496 378 T N 4.338 119.111 114.554 0.364 0.000 2.840 378 T HA 0.547 4.887 4.350 -0.017 0.000 0.287 378 T C -0.738 174.042 174.700 0.134 0.000 0.991 378 T CA -0.564 61.663 62.100 0.212 0.000 0.964 378 T CB 0.520 69.486 68.868 0.164 0.000 0.954 378 T HN 0.425 nan 8.240 nan 0.000 0.438 379 I N 3.827 124.418 120.570 0.035 0.000 2.555 379 I HA 0.375 4.535 4.170 -0.017 0.000 0.275 379 I C 1.286 177.267 176.117 -0.227 0.000 1.082 379 I CA -0.027 61.212 61.300 -0.102 0.000 1.167 379 I CB -0.166 37.849 38.000 0.026 0.000 1.312 379 I HN 0.954 nan 8.210 nan 0.000 0.493 380 G N 6.875 115.530 108.800 -0.241 0.000 2.620 380 G HA2 -0.326 3.624 3.960 -0.017 0.000 0.315 380 G HA3 -0.326 3.624 3.960 -0.017 0.000 0.315 380 G C 0.478 175.281 174.900 -0.163 0.000 1.179 380 G CA 0.590 45.593 45.100 -0.161 0.000 0.971 380 G HN 0.664 nan 8.290 nan 0.000 0.544 384 Y N 0.228 120.560 120.300 0.053 0.000 2.391 384 Y HA 0.689 5.229 4.550 -0.017 0.000 0.341 384 Y C 0.756 176.028 175.900 -1.046 0.000 0.965 384 Y CA -1.127 56.783 58.100 -0.317 0.000 1.067 384 Y CB 2.492 40.908 38.460 -0.073 0.000 1.199 384 Y HN 0.460 nan 8.280 nan 0.000 0.450 385 G N 2.371 110.356 108.800 -1.359 0.000 2.343 385 G HA2 0.552 4.502 3.960 -0.017 0.000 0.319 385 G HA3 0.552 4.502 3.960 -0.017 0.000 0.319 385 G C -1.572 172.934 174.900 -0.658 0.000 1.126 385 G CA -0.347 43.944 45.100 -1.348 0.000 0.889 385 G HN 0.347 nan 8.290 nan 0.000 0.457 386 F N 1.646 121.079 119.950 -0.861 0.000 2.402 386 F HA 0.456 4.973 4.527 -0.017 0.000 0.355 386 F C -0.653 174.742 175.800 -0.675 0.000 1.123 386 F CA -0.804 56.884 58.000 -0.520 0.000 1.021 386 F CB 1.673 40.558 39.000 -0.191 0.000 1.160 386 F HN 0.314 nan 8.300 nan 0.000 0.451 387 Y N 1.581 121.453 120.300 -0.713 0.000 2.350 387 Y HA 0.418 4.958 4.550 -0.017 0.000 0.338 387 Y C -1.042 174.154 175.900 -1.174 0.000 0.961 387 Y CA -1.464 56.157 58.100 -0.798 0.000 1.100 387 Y CB 1.260 39.166 38.460 -0.923 0.000 1.179 387 Y HN 0.502 nan 8.280 nan 0.000 0.454 388 W N 3.488 124.470 121.300 -0.530 0.000 2.520 388 W HA 0.603 5.252 4.660 -0.017 0.000 0.323 388 W C -1.375 174.726 176.519 -0.697 0.000 1.062 388 W CA -0.763 56.283 57.345 -0.498 0.000 1.215 388 W CB 1.016 30.344 29.460 -0.220 0.000 1.340 388 W HN 0.328 nan 8.180 nan 0.000 0.516 389 Y N 2.885 123.086 120.300 -0.165 0.000 2.409 389 Y HA 0.630 5.170 4.550 -0.017 0.000 0.343 389 Y C -0.268 175.328 175.900 -0.506 0.000 0.973 389 Y CA -1.593 56.220 58.100 -0.478 0.000 1.064 389 Y CB 1.128 39.194 38.460 -0.657 0.000 1.207 389 Y HN 0.065 nan 8.280 nan 0.000 0.452 390 L N 4.137 125.016 121.223 -0.573 0.000 2.333 390 L HA 0.530 4.860 4.340 -0.017 0.000 0.280 390 L C -1.160 175.496 176.870 -0.356 0.000 1.004 390 L CA -0.861 53.580 54.840 -0.666 0.000 0.820 390 L CB 1.174 42.513 42.059 -1.200 0.000 1.247 390 L HN 0.592 nan 8.230 nan 0.000 0.416 391 Y N 1.802 122.234 120.300 0.219 0.000 2.453 391 Y HA 0.312 4.853 4.550 -0.016 0.000 0.326 391 Y C 1.208 177.557 175.900 0.748 0.000 1.186 391 Y CA -0.734 57.620 58.100 0.423 0.000 1.200 391 Y CB 1.392 39.997 38.460 0.242 0.000 1.247 391 Y HN 0.440 nan 8.280 nan 0.000 0.482 392 L N 0.671 122.319 121.223 0.708 0.000 2.081 392 L HA -0.221 4.109 4.340 -0.017 0.000 0.212 392 L C 1.620 178.734 176.870 0.406 0.000 1.080 392 L CA 1.815 56.931 54.840 0.460 0.000 0.754 392 L CB -0.336 41.881 42.059 0.263 0.000 0.893 392 L HN 0.771 nan 8.230 nan 0.000 0.433 393 D N -0.676 119.945 120.400 0.369 0.000 2.336 393 D HA 0.009 4.639 4.640 -0.017 0.000 0.229 393 D C 1.404 177.811 176.300 0.178 0.000 1.061 393 D CA 0.863 54.974 54.000 0.184 0.000 0.875 393 D CB 0.298 41.180 40.800 0.137 0.000 0.904 393 D HN 0.348 nan 8.370 nan 0.000 0.525 394 G N -0.583 108.487 108.800 0.450 0.000 2.194 394 G HA2 -0.244 3.706 3.960 -0.017 0.000 0.236 394 G HA3 -0.244 3.706 3.960 -0.017 0.000 0.236 394 G C 0.420 175.809 174.900 0.814 0.000 0.987 394 G CA 0.172 45.583 45.100 0.519 0.000 0.635 394 G HN 0.450 nan 8.290 nan 0.000 0.520 395 T N 1.439 116.379 114.554 0.644 0.000 2.901 395 T HA 0.537 4.877 4.350 -0.017 0.000 0.301 395 T C 0.520 175.584 174.700 0.607 0.000 1.012 395 T CA 0.494 62.911 62.100 0.528 0.000 1.135 395 T CB 1.165 70.163 68.868 0.216 0.000 0.936 395 T HN 0.342 nan 8.240 nan 0.000 0.539 396 I N 2.739 123.587 120.570 0.462 0.000 2.406 396 I HA 0.455 4.615 4.170 -0.017 0.000 0.290 396 I C 0.158 176.426 176.117 0.252 0.000 0.999 396 I CA -0.591 60.876 61.300 0.277 0.000 1.124 396 I CB 1.775 39.905 38.000 0.218 0.000 1.289 396 I HN 0.593 nan 8.210 nan 0.000 0.441 397 E N 5.703 126.017 120.200 0.189 0.000 2.317 397 E HA 0.481 4.821 4.350 -0.017 0.000 0.270 397 E C -1.965 174.472 176.600 -0.271 0.000 0.885 397 E CA -0.674 55.736 56.400 0.017 0.000 0.760 397 E CB 2.680 32.528 29.700 0.247 0.000 1.227 397 E HN 0.420 nan 8.360 nan 0.000 0.434 398 F N 2.356 121.733 119.950 -0.955 0.000 2.508 398 F HA 0.484 5.001 4.527 -0.017 0.000 0.325 398 F C -0.942 174.314 175.800 -0.907 0.000 1.090 398 F CA -0.507 56.709 58.000 -1.307 0.000 0.945 398 F CB 1.706 39.544 39.000 -1.936 0.000 1.156 398 F HN 0.493 nan 8.300 nan 0.000 0.463 399 E N 4.070 123.198 120.200 -1.787 0.000 2.275 399 E HA 0.681 5.021 4.350 -0.017 0.000 0.270 399 E C -1.808 173.884 176.600 -1.514 0.000 0.882 399 E CA -0.999 54.672 56.400 -1.215 0.000 0.758 399 E CB 1.752 31.145 29.700 -0.512 0.000 1.195 399 E HN 0.832 nan 8.360 nan 0.000 0.419 400 A N 4.559 126.752 122.820 -1.046 0.000 2.290 400 A HA 0.477 4.787 4.320 -0.017 0.000 0.310 400 A C -0.691 176.635 177.584 -0.430 0.000 1.202 400 A CA -0.625 50.933 52.037 -0.798 0.000 0.837 400 A CB 0.633 19.062 19.000 -0.951 0.000 1.139 400 A HN 0.548 nan 8.150 nan 0.000 0.509 401 K N 1.895 122.112 120.400 -0.305 0.000 2.293 401 K HA 0.546 4.856 4.320 -0.017 0.000 0.267 401 K C -0.508 176.042 176.600 -0.083 0.000 1.010 401 K CA -0.226 55.970 56.287 -0.151 0.000 0.875 401 K CB 1.973 34.444 32.500 -0.050 0.000 1.106 401 K HN 0.720 nan 8.250 nan 0.000 0.450 402 A N 2.709 125.502 122.820 -0.045 0.000 2.260 402 A HA 0.514 4.824 4.320 -0.017 0.000 0.314 402 A C -0.059 177.479 177.584 -0.077 0.000 1.257 402 A CA -0.233 51.773 52.037 -0.051 0.000 0.871 402 A CB 1.203 20.129 19.000 -0.124 0.000 1.166 402 A HN 0.683 nan 8.150 nan 0.000 0.522 403 T N 0.933 115.435 114.554 -0.088 0.000 2.598 403 T HA 0.815 5.155 4.350 -0.017 0.000 0.289 403 T C 0.370 174.996 174.700 -0.123 0.000 1.056 403 T CA 1.023 63.092 62.100 -0.052 0.000 1.088 403 T CB 0.757 69.645 68.868 0.033 0.000 1.519 403 T HN 2.623 nan 8.240 nan 0.000 0.488 404 G N -0.167 108.555 108.800 -0.130 0.000 2.416 404 G HA2 0.050 4.000 3.960 -0.017 0.000 0.203 404 G HA3 0.050 4.000 3.960 -0.017 0.000 0.203 404 G C -1.257 173.516 174.900 -0.212 0.000 1.227 404 G CA -0.209 44.777 45.100 -0.190 0.000 1.041 404 G HN 1.321 nan 8.290 nan 0.000 0.546 405 V N 1.125 120.872 119.914 -0.277 0.000 2.555 405 V HA 0.639 4.749 4.120 -0.017 0.000 0.302 405 V C 1.096 177.081 176.094 -0.182 0.000 1.038 405 V CA -0.136 62.016 62.300 -0.246 0.000 0.887 405 V CB 1.235 32.829 31.823 -0.381 0.000 0.991 405 V HN 1.674 nan 8.190 nan 0.000 0.434 406 V N 1.939 121.898 119.914 0.075 0.000 2.963 406 V HA 0.380 4.490 4.120 -0.017 0.000 0.306 406 V C -0.132 176.017 176.094 0.091 0.000 1.077 406 V CA -0.319 62.066 62.300 0.142 0.000 1.124 406 V CB 0.299 32.271 31.823 0.248 0.000 0.987 406 V HN 0.622 nan 8.190 nan 0.000 0.487 407 F N 4.241 124.178 119.950 -0.020 0.000 2.506 407 F HA 0.492 5.009 4.527 -0.017 0.000 0.371 407 F C 1.005 176.892 175.800 0.146 0.000 1.078 407 F CA 0.411 58.427 58.000 0.027 0.000 1.195 407 F CB 0.705 39.688 39.000 -0.029 0.000 1.099 407 F HN 0.980 nan 8.300 nan 0.000 0.548 408 T N 1.708 116.302 114.554 0.067 0.000 2.948 408 T HA 0.818 5.158 4.350 -0.017 0.000 0.285 408 T C -0.227 174.535 174.700 0.105 0.000 1.019 408 T CA -0.400 61.772 62.100 0.121 0.000 1.013 408 T CB 1.660 70.581 68.868 0.088 0.000 1.117 408 T HN 0.667 nan 8.240 nan 0.000 0.533 409 S N -0.313 115.396 115.700 0.015 0.000 2.776 409 S HA 0.799 5.259 4.470 -0.017 0.000 0.292 409 S C -0.302 174.227 174.600 -0.118 0.000 1.187 409 S CA -0.841 57.309 58.200 -0.083 0.000 0.834 409 S CB 0.775 63.925 63.200 -0.084 0.000 1.199 409 S HN 1.367 nan 8.310 nan 0.000 0.514 410 A N 0.406 123.087 122.820 -0.232 0.000 2.386 410 A HA 0.600 4.910 4.320 -0.017 0.000 0.248 410 A C -0.665 176.901 177.584 -0.030 0.000 1.082 410 A CA -0.279 51.667 52.037 -0.153 0.000 0.789 410 A CB -0.405 18.419 19.000 -0.293 0.000 1.025 410 A HN 0.939 nan 8.150 nan 0.000 0.490 411 F N 3.192 123.101 119.950 -0.069 0.000 2.385 411 F HA 0.513 5.031 4.527 -0.017 0.000 0.360 411 F C -2.054 173.769 175.800 0.039 0.000 1.122 411 F CA -2.692 55.285 58.000 -0.038 0.000 1.090 411 F CB 1.043 40.017 39.000 -0.042 0.000 1.150 411 F HN 0.309 nan 8.300 nan 0.000 0.472 412 P HA -0.006 nan 4.420 nan 0.000 0.268 412 P C -0.729 176.393 177.300 -0.296 0.000 1.205 412 P CA -0.094 62.863 63.100 -0.238 0.000 0.771 412 P CB 0.477 32.038 31.700 -0.230 0.000 0.858 413 E N 1.574 121.722 120.200 -0.086 0.000 2.417 413 E HA 0.206 4.546 4.350 -0.017 0.000 0.261 413 E C 0.970 177.520 176.600 -0.082 0.000 1.000 413 E CA 0.676 57.048 56.400 -0.046 0.000 0.919 413 E CB -0.439 29.246 29.700 -0.025 0.000 0.955 413 E HN 0.779 nan 8.360 nan 0.000 0.455 414 G N 2.922 111.695 108.800 -0.045 0.000 2.136 414 G HA2 -0.197 3.753 3.960 -0.017 0.000 0.242 414 G HA3 -0.197 3.753 3.960 -0.017 0.000 0.242 414 G C 0.591 175.438 174.900 -0.088 0.000 0.989 414 G CA 0.121 45.196 45.100 -0.041 0.000 0.682 414 G HN 1.376 nan 8.290 nan 0.000 0.522 415 G N -1.790 106.880 108.800 -0.217 0.000 2.760 415 G HA2 0.392 4.342 3.960 -0.017 0.000 0.246 415 G HA3 0.392 4.342 3.960 -0.017 0.000 0.246 415 G C -0.129 174.567 174.900 -0.341 0.000 1.359 415 G CA 0.838 45.778 45.100 -0.267 0.000 0.861 415 G HN 2.267 nan 8.290 nan 0.000 0.541 416 S N -1.308 114.282 115.700 -0.183 0.000 2.535 416 S HA 0.556 5.016 4.470 -0.017 0.000 0.272 416 S C -0.006 174.564 174.600 -0.049 0.000 1.149 416 S CA 0.430 58.534 58.200 -0.161 0.000 0.888 416 S CB 1.633 64.674 63.200 -0.266 0.000 1.110 416 S HN 0.606 nan 8.310 nan 0.000 0.463 417 D N 2.797 123.171 120.400 -0.044 0.000 2.363 417 D HA 0.112 4.742 4.640 -0.017 0.000 0.220 417 D C 0.488 176.776 176.300 -0.021 0.000 0.994 417 D CA 0.742 54.761 54.000 0.031 0.000 0.890 417 D CB -0.035 40.792 40.800 0.046 0.000 0.906 417 D HN 0.639 nan 8.370 nan 0.000 0.530 418 N N -0.692 117.815 118.700 -0.321 0.000 2.184 418 N HA 0.265 4.995 4.740 -0.017 0.000 0.234 418 N C -0.400 174.348 175.510 -1.270 0.000 1.282 418 N CA -0.038 52.612 53.050 -0.666 0.000 0.877 418 N CB 1.668 40.017 38.487 -0.230 0.000 1.184 418 N HN -0.013 nan 8.380 nan 0.000 0.510 419 I N 0.172 120.118 120.570 -1.041 0.000 2.692 419 I HA 0.310 4.470 4.170 -0.017 0.000 0.293 419 I C -0.833 175.269 176.117 -0.024 0.000 1.200 419 I CA -0.805 60.204 61.300 -0.485 0.000 1.036 419 I CB 2.281 40.206 38.000 -0.123 0.000 1.258 419 I HN -0.123 nan 8.210 nan 0.000 0.421 420 S N 3.698 119.527 115.700 0.215 0.000 2.565 420 S HA 0.391 4.851 4.470 -0.017 0.000 0.290 420 S C -0.547 174.028 174.600 -0.042 0.000 1.150 420 S CA -0.694 57.655 58.200 0.249 0.000 1.058 420 S CB 1.771 65.150 63.200 0.298 0.000 1.032 420 S HN 0.593 nan 8.310 nan 0.000 0.510 421 Q N 1.284 120.780 119.800 -0.508 0.000 2.267 421 Q HA 0.371 4.701 4.340 -0.017 0.000 0.255 421 Q C -0.120 175.648 176.000 -0.387 0.000 0.923 421 Q CA -0.268 55.013 55.803 -0.871 0.000 0.925 421 Q CB 0.466 28.326 28.738 -1.463 0.000 1.195 421 Q HN 0.745 nan 8.270 nan 0.000 0.417 422 L N 2.077 123.090 121.223 -0.349 0.000 2.537 422 L HA 0.526 4.856 4.340 -0.017 0.000 0.224 422 L C 0.298 177.000 176.870 -0.280 0.000 1.065 422 L CA 0.129 54.794 54.840 -0.293 0.000 0.860 422 L CB 0.644 42.401 42.059 -0.505 0.000 1.086 422 L HN 0.656 nan 8.230 nan 0.000 0.482 423 A N -0.936 121.700 122.820 -0.307 0.000 2.566 423 A HA 0.612 4.923 4.320 -0.017 0.000 0.290 423 A C -2.780 174.719 177.584 -0.142 0.000 1.071 423 A CA -0.892 51.036 52.037 -0.183 0.000 0.658 423 A CB 0.344 19.227 19.000 -0.196 0.000 1.285 423 A HN -0.232 nan 8.150 nan 0.000 0.427 424 P HA 0.314 nan 4.420 nan 0.000 0.261 424 P C 1.042 178.346 177.300 0.006 0.000 1.203 424 P CA 2.278 65.368 63.100 -0.016 0.000 0.767 424 P CB 0.422 32.130 31.700 0.014 0.000 0.785 425 G N 2.301 111.132 108.800 0.053 0.000 2.184 425 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.264 425 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.264 425 G C -0.167 174.779 174.900 0.077 0.000 0.975 425 G CA -0.097 45.066 45.100 0.106 0.000 0.642 425 G HN 0.563 nan 8.290 nan 0.000 0.536 426 L N 1.792 122.992 121.223 -0.039 0.000 2.272 426 L HA 0.788 5.118 4.340 -0.017 0.000 0.289 426 L C 0.716 177.508 176.870 -0.130 0.000 1.032 426 L CA 0.159 54.913 54.840 -0.143 0.000 0.810 426 L CB 1.167 43.009 42.059 -0.362 0.000 1.205 426 L HN 0.377 nan 8.230 nan 0.000 0.422 427 G N 3.325 112.108 108.800 -0.028 0.000 2.489 427 G HA2 0.778 4.728 3.960 -0.017 0.000 0.327 427 G HA3 0.778 4.728 3.960 -0.017 0.000 0.327 427 G C -1.622 173.280 174.900 0.004 0.000 1.189 427 G CA -0.334 44.806 45.100 0.067 0.000 0.962 427 G HN 0.936 nan 8.290 nan 0.000 0.486 428 A N 1.728 124.592 122.820 0.073 0.000 2.457 428 A HA 0.763 5.073 4.320 -0.017 0.000 0.283 428 A C -2.703 174.996 177.584 0.192 0.000 1.166 428 A CA -1.347 50.771 52.037 0.135 0.000 0.740 428 A CB 1.732 20.807 19.000 0.125 0.000 1.181 428 A HN 0.471 nan 8.150 nan 0.000 0.446 429 P HA 0.222 nan 4.420 nan 0.000 0.269 429 P C -0.495 177.040 177.300 0.391 0.000 1.209 429 P CA 0.105 63.312 63.100 0.179 0.000 0.776 429 P CB 0.344 32.163 31.700 0.198 0.000 0.876 430 F N 2.728 122.755 119.950 0.128 0.000 2.506 430 F HA 0.188 4.705 4.527 -0.016 0.000 0.351 430 F C 1.639 177.349 175.800 -0.151 0.000 1.136 430 F CA 0.575 58.537 58.000 -0.063 0.000 1.298 430 F CB -0.563 38.402 39.000 -0.058 0.000 1.145 430 F HN 0.497 nan 8.300 nan 0.000 0.593 431 H N -0.118 118.765 119.070 -0.311 0.000 2.932 431 H HA 0.485 5.031 4.556 -0.017 0.000 0.307 431 H C -1.821 173.206 175.328 -0.501 0.000 1.391 431 H CA -1.126 54.558 56.048 -0.606 0.000 1.130 431 H CB 1.308 30.301 29.762 -1.281 0.000 1.836 431 H HN 0.579 nan 8.280 nan 0.000 0.522 432 Q N 0.276 119.798 119.800 -0.464 0.000 2.399 432 Q HA 0.399 4.729 4.340 -0.017 0.000 0.276 432 Q C -0.980 174.798 176.000 -0.369 0.000 1.098 432 Q CA -0.978 54.612 55.803 -0.355 0.000 0.827 432 Q CB 2.850 31.432 28.738 -0.259 0.000 1.386 432 Q HN 0.533 nan 8.270 nan 0.000 0.443 433 H N 1.418 120.431 119.070 -0.095 0.000 2.708 433 H HA 0.458 5.004 4.556 -0.017 0.000 0.320 433 H C -0.839 174.343 175.328 -0.244 0.000 0.991 433 H CA -0.307 55.649 56.048 -0.152 0.000 1.243 433 H CB 0.909 30.666 29.762 -0.010 0.000 1.446 433 H HN 0.439 nan 8.280 nan 0.000 0.502 434 I N 4.169 124.563 120.570 -0.294 0.000 2.418 434 I HA 0.228 4.388 4.170 -0.017 0.000 0.287 434 I C -0.678 175.231 176.117 -0.347 0.000 1.008 434 I CA -0.603 60.558 61.300 -0.232 0.000 1.104 434 I CB 1.131 39.022 38.000 -0.181 0.000 1.264 434 I HN 0.237 nan 8.210 nan 0.000 0.438 435 F N 3.256 122.967 119.950 -0.399 0.000 2.432 435 F HA 0.486 5.003 4.527 -0.016 0.000 0.329 435 F C 0.673 176.272 175.800 -0.334 0.000 1.076 435 F CA -0.728 56.976 58.000 -0.494 0.000 1.018 435 F CB 1.832 40.203 39.000 -1.049 0.000 1.201 435 F HN 0.267 nan 8.300 nan 0.000 0.489 436 S N 1.534 117.270 115.700 0.060 0.000 2.596 436 S HA 0.779 5.240 4.470 -0.017 0.000 0.318 436 S C -0.751 173.958 174.600 0.181 0.000 1.097 436 S CA -0.561 57.705 58.200 0.110 0.000 1.080 436 S CB 0.434 63.543 63.200 -0.151 0.000 0.991 436 S HN 0.803 nan 8.310 nan 0.000 0.471 437 A N 4.946 127.934 122.820 0.280 0.000 2.289 437 A HA 0.612 4.922 4.320 -0.017 0.000 0.298 437 A C 0.135 177.762 177.584 0.071 0.000 1.208 437 A CA -0.675 51.495 52.037 0.222 0.000 0.845 437 A CB 0.400 19.525 19.000 0.209 0.000 1.125 437 A HN 0.847 nan 8.150 nan 0.000 0.517 438 R N 3.557 124.031 120.500 -0.042 0.000 2.246 438 R HA 0.537 4.867 4.340 -0.017 0.000 0.332 438 R C -1.642 174.482 176.300 -0.294 0.000 0.974 438 R CA -0.363 55.513 56.100 -0.375 0.000 0.837 438 R CB 0.344 30.290 30.300 -0.590 0.000 1.145 438 R HN 0.724 nan 8.270 nan 0.000 0.467 439 L N 4.452 125.492 121.223 -0.305 0.000 2.324 439 L HA 0.268 4.598 4.340 -0.017 0.000 0.274 439 L C -0.473 176.273 176.870 -0.206 0.000 1.012 439 L CA -0.889 53.846 54.840 -0.176 0.000 0.859 439 L CB 1.502 43.520 42.059 -0.069 0.000 1.224 439 L HN 0.531 nan 8.230 nan 0.000 0.429 440 D N 4.925 125.216 120.400 -0.181 0.000 2.374 440 D HA 0.196 4.826 4.640 -0.017 0.000 0.240 440 D C 0.038 176.312 176.300 -0.043 0.000 1.229 440 D CA -0.253 53.689 54.000 -0.098 0.000 0.895 440 D CB 0.662 41.424 40.800 -0.063 0.000 1.046 440 D HN 0.142 nan 8.370 nan 0.000 0.498 441 M N 2.391 121.982 119.600 -0.014 0.000 2.242 441 M HA 0.410 4.880 4.480 -0.017 0.000 0.344 441 M C 0.284 176.581 176.300 -0.006 0.000 1.140 441 M CA -0.571 54.718 55.300 -0.018 0.000 1.160 441 M CB 0.994 33.599 32.600 0.009 0.000 1.491 441 M HN 0.502 nan 8.290 nan 0.000 0.459 442 A N 3.844 126.600 122.820 -0.107 0.000 3.415 442 A HA 0.397 4.707 4.320 -0.017 0.000 0.244 442 A C -0.359 177.123 177.584 -0.170 0.000 0.988 442 A CA -0.532 51.355 52.037 -0.251 0.000 0.991 442 A CB 0.091 18.765 19.000 -0.544 0.000 1.240 442 A HN 0.619 nan 8.150 nan 0.000 0.541 443 I N 1.605 122.142 120.570 -0.055 0.000 2.680 443 I HA 0.044 4.204 4.170 -0.017 0.000 0.286 443 I C 0.371 176.545 176.117 0.094 0.000 1.144 443 I CA 0.825 62.162 61.300 0.063 0.000 1.370 443 I CB -0.879 37.200 38.000 0.132 0.000 1.420 443 I HN 0.493 nan 8.210 nan 0.000 0.540 444 D N 5.137 125.622 120.400 0.142 0.000 2.811 444 D HA -0.160 4.470 4.640 -0.017 0.000 0.231 444 D C 0.722 176.983 176.300 -0.066 0.000 1.157 444 D CA 1.657 55.675 54.000 0.029 0.000 0.716 444 D CB -0.710 40.063 40.800 -0.046 0.000 1.077 444 D HN 1.132 nan 8.370 nan 0.000 0.428 445 G N -2.028 106.672 108.800 -0.166 0.000 2.422 445 G HA2 -0.149 3.802 3.960 -0.017 0.000 0.607 445 G HA3 -0.149 3.802 3.960 -0.017 0.000 0.607 445 G C 0.297 175.018 174.900 -0.299 0.000 1.270 445 G CA -0.313 44.608 45.100 -0.298 0.000 0.992 445 G HN 0.080 nan 8.290 nan 0.000 0.499 446 F N 0.839 120.783 119.950 -0.010 0.000 2.664 446 F HA 0.247 4.764 4.527 -0.016 0.000 0.296 446 F C 2.287 178.087 175.800 0.000 0.000 1.125 446 F CA 1.160 59.147 58.000 -0.021 0.000 1.444 446 F CB 0.303 39.276 39.000 -0.045 0.000 1.114 446 F HN 0.294 nan 8.300 nan 0.000 0.576 447 T N 2.505 117.152 114.554 0.155 0.000 2.978 447 T HA 0.130 4.470 4.350 -0.017 0.000 0.278 447 T C -0.109 174.642 174.700 0.086 0.000 0.945 447 T CA 0.028 62.193 62.100 0.109 0.000 1.070 447 T CB -0.899 68.016 68.868 0.078 0.000 0.948 447 T HN 0.199 nan 8.240 nan 0.000 0.617 448 N N 2.118 120.876 118.700 0.097 0.000 2.381 448 N HA 0.767 5.497 4.740 -0.017 0.000 0.294 448 N C -0.232 175.330 175.510 0.087 0.000 1.216 448 N CA -1.334 51.769 53.050 0.087 0.000 0.803 448 N CB 1.977 40.518 38.487 0.089 0.000 1.372 448 N HN 0.492 nan 8.380 nan 0.000 0.500 449 R N -1.208 119.344 120.500 0.087 0.000 2.781 449 R HA 0.715 5.045 4.340 -0.017 0.000 0.269 449 R C -1.933 174.427 176.300 0.100 0.000 1.025 449 R CA -0.848 55.305 56.100 0.089 0.000 0.914 449 R CB 1.003 31.350 30.300 0.078 0.000 1.236 449 R HN 0.185 nan 8.270 nan 0.000 0.465 450 V N 0.872 120.852 119.914 0.109 0.000 2.588 450 V HA 0.404 4.514 4.120 -0.017 0.000 0.304 450 V C -0.654 175.527 176.094 0.144 0.000 1.042 450 V CA -0.749 61.633 62.300 0.136 0.000 0.877 450 V CB 1.706 33.616 31.823 0.145 0.000 0.996 450 V HN 0.747 nan 8.190 nan 0.000 0.425 451 E N 2.289 122.580 120.200 0.151 0.000 2.195 451 E HA 0.463 4.803 4.350 -0.017 0.000 0.271 451 E C -0.844 175.857 176.600 0.169 0.000 0.923 451 E CA -0.671 55.808 56.400 0.132 0.000 0.790 451 E CB 2.680 32.425 29.700 0.076 0.000 1.155 451 E HN 0.731 nan 8.360 nan 0.000 0.402 452 E N 2.411 122.695 120.200 0.141 0.000 2.167 452 E HA 0.071 4.411 4.350 -0.017 0.000 0.284 452 E C -1.040 175.489 176.600 -0.119 0.000 1.016 452 E CA -0.253 56.142 56.400 -0.008 0.000 0.817 452 E CB 0.890 30.651 29.700 0.103 0.000 1.080 452 E HN 0.381 nan 8.360 nan 0.000 0.397 453 E N 4.301 124.352 120.200 -0.249 0.000 2.145 453 E HA 0.181 4.521 4.350 -0.017 0.000 0.270 453 E C -1.279 175.195 176.600 -0.209 0.000 0.906 453 E CA -0.806 55.490 56.400 -0.174 0.000 0.761 453 E CB 0.928 30.544 29.700 -0.141 0.000 1.116 453 E HN 0.421 nan 8.360 nan 0.000 0.408 454 D N 2.547 122.872 120.400 -0.126 0.000 2.342 454 D HA 0.243 4.873 4.640 -0.017 0.000 0.243 454 D C -0.404 175.868 176.300 -0.047 0.000 1.019 454 D CA -0.571 53.368 54.000 -0.103 0.000 0.864 454 D CB 2.139 42.894 40.800 -0.075 0.000 1.315 454 D HN 0.162 nan 8.370 nan 0.000 0.468 455 V N 1.345 121.238 119.914 -0.035 0.000 2.740 455 V HA 0.132 4.242 4.120 -0.017 0.000 0.303 455 V C 0.267 176.373 176.094 0.019 0.000 1.054 455 V CA -0.084 62.223 62.300 0.011 0.000 1.106 455 V CB 1.202 33.012 31.823 -0.021 0.000 0.957 455 V HN 0.254 nan 8.190 nan 0.000 0.486 456 V N 6.130 126.083 119.914 0.065 0.000 2.444 456 V HA 0.439 4.549 4.120 -0.017 0.000 0.294 456 V C 0.210 176.357 176.094 0.087 0.000 1.022 456 V CA -0.800 61.532 62.300 0.054 0.000 0.850 456 V CB 1.604 33.454 31.823 0.044 0.000 0.992 456 V HN 0.815 nan 8.190 nan 0.000 0.426 457 R N 3.456 123.988 120.500 0.053 0.000 2.459 457 R HA 0.572 4.903 4.340 -0.017 0.000 0.281 457 R C -0.566 175.768 176.300 0.058 0.000 1.050 457 R CA -0.476 55.660 56.100 0.061 0.000 1.055 457 R CB 1.140 31.453 30.300 0.021 0.000 1.045 457 R HN 0.672 nan 8.270 nan 0.000 0.495 458 Q N 0.524 120.366 119.800 0.069 0.000 2.365 458 Q HA 0.293 4.623 4.340 -0.017 0.000 0.269 458 Q C -0.846 175.176 176.000 0.038 0.000 1.061 458 Q CA -0.690 55.142 55.803 0.049 0.000 0.816 458 Q CB 2.689 31.457 28.738 0.051 0.000 1.325 458 Q HN 0.468 nan 8.270 nan 0.000 0.446 459 T N 2.115 116.684 114.554 0.025 0.000 2.889 459 T HA 0.263 4.603 4.350 -0.017 0.000 0.291 459 T C 0.083 174.794 174.700 0.018 0.000 0.995 459 T CA -0.421 61.691 62.100 0.019 0.000 1.092 459 T CB 0.525 69.401 68.868 0.014 0.000 0.954 459 T HN 0.486 nan 8.240 nan 0.000 0.506 460 M N 2.978 122.588 119.600 0.017 0.000 2.248 460 M HA 0.431 4.901 4.480 -0.017 0.000 0.345 460 M C 0.526 176.833 176.300 0.010 0.000 1.243 460 M CA 1.038 56.346 55.300 0.014 0.000 1.090 460 M CB -0.452 32.156 32.600 0.013 0.000 1.683 460 M HN 0.921 nan 8.290 nan 0.000 0.450 461 G N 4.238 113.043 108.800 0.008 0.000 2.368 461 G HA2 0.193 4.143 3.960 -0.017 0.000 0.269 461 G HA3 0.193 4.143 3.960 -0.017 0.000 0.269 461 G C -3.403 171.499 174.900 0.004 0.000 1.291 461 G CA -1.160 43.944 45.100 0.006 0.000 0.903 461 G HN 0.431 nan 8.290 nan 0.000 0.483 462 P HA 0.343 nan 4.420 nan 0.000 0.264 462 P C 1.033 178.333 177.300 0.000 0.000 1.193 462 P CA 2.182 65.283 63.100 0.001 0.000 0.763 462 P CB 0.822 32.523 31.700 0.001 0.000 0.810 463 G N 2.791 111.590 108.800 -0.001 0.000 2.267 463 G HA2 -0.280 3.670 3.960 -0.017 0.000 0.257 463 G HA3 -0.280 3.670 3.960 -0.017 0.000 0.257 463 G C 0.522 175.419 174.900 -0.004 0.000 0.998 463 G CA 0.375 45.472 45.100 -0.004 0.000 0.620 463 G HN 0.664 nan 8.290 nan 0.000 0.529 464 N N 0.185 118.886 118.700 0.000 0.000 2.651 464 N HA 0.404 5.134 4.740 -0.017 0.000 0.277 464 N C 0.866 176.380 175.510 0.006 0.000 1.787 464 N CA 0.267 53.319 53.050 0.003 0.000 0.818 464 N CB 0.578 39.070 38.487 0.008 0.000 1.316 464 N HN 0.172 nan 8.380 nan 0.000 0.503 465 E N 0.089 120.291 120.200 0.004 0.000 2.153 465 E HA 0.034 4.374 4.350 -0.017 0.000 0.194 465 E C 1.116 177.720 176.600 0.007 0.000 0.988 465 E CA 1.170 57.573 56.400 0.005 0.000 0.811 465 E CB 0.160 29.862 29.700 0.003 0.000 0.746 465 E HN 0.384 nan 8.360 nan 0.000 0.466 466 R N -0.728 119.778 120.500 0.009 0.000 2.310 466 R HA 0.155 4.485 4.340 -0.017 0.000 0.202 466 R C 0.737 177.048 176.300 0.018 0.000 0.933 466 R CA 0.503 56.610 56.100 0.012 0.000 1.054 466 R CB 0.324 30.631 30.300 0.012 0.000 0.985 466 R HN 0.210 nan 8.270 nan 0.000 0.489 467 G N 2.405 111.217 108.800 0.020 0.000 2.273 467 G HA2 -0.299 3.651 3.960 -0.017 0.000 0.280 467 G HA3 -0.299 3.651 3.960 -0.017 0.000 0.280 467 G C 0.435 175.361 174.900 0.043 0.000 1.047 467 G CA 0.705 45.821 45.100 0.028 0.000 0.869 467 G HN 0.581 nan 8.290 nan 0.000 0.502 468 N N -0.545 118.183 118.700 0.047 0.000 2.294 468 N HA 0.366 5.096 4.740 -0.017 0.000 0.186 468 N C 1.077 176.652 175.510 0.109 0.000 1.107 468 N CA 0.702 53.797 53.050 0.075 0.000 0.884 468 N CB 0.084 38.603 38.487 0.053 0.000 1.030 468 N HN 0.976 nan 8.380 nan 0.000 0.482 469 A N 0.982 123.839 122.820 0.063 0.000 2.462 469 A HA 0.455 4.765 4.320 -0.017 0.000 0.243 469 A C -0.432 177.233 177.584 0.135 0.000 1.076 469 A CA -0.285 51.767 52.037 0.024 0.000 0.773 469 A CB -0.391 18.605 19.000 -0.007 0.000 1.010 469 A HN 0.470 nan 8.150 nan 0.000 0.493 470 F N 0.290 120.236 119.950 -0.007 0.000 2.645 470 F HA 0.846 5.364 4.527 -0.015 0.000 0.310 470 F C -0.249 175.544 175.800 -0.010 0.000 1.102 470 F CA -0.458 57.537 58.000 -0.009 0.000 0.952 470 F CB 1.076 40.070 39.000 -0.010 0.000 1.326 470 F HN 0.611 nan 8.300 nan 0.000 0.456 471 S N 0.328 116.139 115.700 0.185 0.000 3.121 471 S HA 0.863 5.323 4.470 -0.017 0.000 0.324 471 S C -1.567 173.109 174.600 0.126 0.000 1.192 471 S CA -0.786 57.446 58.200 0.053 0.000 0.937 471 S CB 1.526 64.731 63.200 0.008 0.000 1.336 471 S HN 1.125 nan 8.310 nan 0.000 0.664 472 R N 0.311 120.844 120.500 0.055 0.000 2.734 472 R HA 0.682 5.013 4.340 -0.017 0.000 0.271 472 R C -1.988 174.320 176.300 0.013 0.000 1.021 472 R CA -1.058 55.066 56.100 0.040 0.000 0.893 472 R CB 1.180 31.502 30.300 0.037 0.000 1.244 472 R HN 0.669 nan 8.270 nan 0.000 0.464 473 K N 1.127 121.527 120.400 0.000 0.000 2.469 473 K HA 0.582 4.892 4.320 -0.017 0.000 0.254 473 K C -1.178 175.413 176.600 -0.014 0.000 0.939 473 K CA -1.168 55.117 56.287 -0.004 0.000 0.812 473 K CB 2.755 35.255 32.500 -0.000 0.000 1.301 473 K HN 0.592 nan 8.250 nan 0.000 0.433 474 R N 1.022 121.520 120.500 -0.004 0.000 2.534 474 R HA 0.401 4.731 4.340 -0.017 0.000 0.301 474 R C -1.111 175.197 176.300 0.014 0.000 0.961 474 R CA -0.885 55.215 56.100 -0.001 0.000 0.871 474 R CB 2.503 32.807 30.300 0.006 0.000 1.170 474 R HN 0.673 nan 8.270 nan 0.000 0.446 475 T N 2.204 116.773 114.554 0.025 0.000 2.815 475 T HA 0.228 4.568 4.350 -0.017 0.000 0.289 475 T C -0.043 174.695 174.700 0.063 0.000 1.000 475 T CA -0.635 61.489 62.100 0.040 0.000 0.958 475 T CB 1.573 70.465 68.868 0.041 0.000 0.944 475 T HN 0.143 nan 8.240 nan 0.000 0.442 476 V N 4.978 124.927 119.914 0.058 0.000 2.637 476 V HA 0.200 4.310 4.120 -0.017 0.000 0.296 476 V C 0.364 176.503 176.094 0.076 0.000 1.046 476 V CA -0.452 61.890 62.300 0.069 0.000 1.066 476 V CB 0.381 32.237 31.823 0.056 0.000 0.968 476 V HN 0.713 nan 8.190 nan 0.000 0.483 477 L N 5.480 126.758 121.223 0.092 0.000 2.268 477 L HA 0.282 4.612 4.340 -0.017 0.000 0.289 477 L C 1.446 178.362 176.870 0.077 0.000 1.064 477 L CA -0.146 54.746 54.840 0.088 0.000 0.824 477 L CB 0.926 43.047 42.059 0.104 0.000 1.202 477 L HN 0.912 nan 8.230 nan 0.000 0.433 478 T N -0.179 114.414 114.554 0.064 0.000 3.031 478 T HA 0.175 4.515 4.350 -0.017 0.000 0.254 478 T C 0.946 175.682 174.700 0.060 0.000 1.060 478 T CA 0.117 62.252 62.100 0.059 0.000 1.135 478 T CB 0.309 69.206 68.868 0.048 0.000 0.896 478 T HN 0.468 nan 8.240 nan 0.000 0.472 479 R N 0.278 120.814 120.500 0.060 0.000 2.771 479 R HA 0.433 4.763 4.340 -0.017 0.000 0.274 479 R C 0.315 176.656 176.300 0.069 0.000 0.987 479 R CA -0.693 55.444 56.100 0.061 0.000 0.908 479 R CB 1.627 31.956 30.300 0.050 0.000 1.213 479 R HN 0.111 nan 8.270 nan 0.000 0.468 480 E N 0.563 120.811 120.200 0.080 0.000 2.160 480 E HA -0.202 4.138 4.350 -0.017 0.000 0.195 480 E C 1.483 178.131 176.600 0.079 0.000 0.991 480 E CA 1.978 58.437 56.400 0.099 0.000 0.810 480 E CB 0.077 29.846 29.700 0.116 0.000 0.742 480 E HN 0.603 nan 8.360 nan 0.000 0.466 481 S N 0.679 116.414 115.700 0.059 0.000 2.442 481 S HA -0.148 4.312 4.470 -0.017 0.000 0.236 481 S C 1.469 176.082 174.600 0.021 0.000 1.007 481 S CA 0.911 59.134 58.200 0.039 0.000 0.965 481 S CB -0.095 63.125 63.200 0.033 0.000 0.773 481 S HN 0.261 nan 8.310 nan 0.000 0.504 482 E N 0.706 120.923 120.200 0.029 0.000 2.481 482 E HA 0.378 4.718 4.350 -0.017 0.000 0.198 482 E C 0.989 177.600 176.600 0.019 0.000 1.027 482 E CA 0.308 56.721 56.400 0.022 0.000 0.900 482 E CB 0.353 30.075 29.700 0.036 0.000 0.993 482 E HN 0.638 nan 8.360 nan 0.000 0.482 483 A N 1.059 123.891 122.820 0.020 0.000 2.545 483 A HA 0.233 4.543 4.320 -0.017 0.000 0.277 483 A C 0.216 177.762 177.584 -0.063 0.000 1.301 483 A CA -0.193 51.857 52.037 0.023 0.000 0.935 483 A CB 0.324 19.376 19.000 0.087 0.000 1.093 483 A HN 0.016 nan 8.150 nan 0.000 0.519 484 V N 2.483 122.287 119.914 -0.182 0.000 2.313 484 V HA 0.450 4.560 4.120 -0.017 0.000 0.278 484 V C -0.503 175.369 176.094 -0.370 0.000 1.017 484 V CA -0.674 61.330 62.300 -0.494 0.000 0.823 484 V CB 0.648 32.057 31.823 -0.690 0.000 1.010 484 V HN 0.459 nan 8.190 nan 0.000 0.443 485 R N 3.376 123.666 120.500 -0.350 0.000 2.803 485 R HA 0.620 4.950 4.340 -0.017 0.000 0.276 485 R C -0.244 176.014 176.300 -0.071 0.000 0.978 485 R CA -0.727 55.306 56.100 -0.111 0.000 0.939 485 R CB 2.429 32.757 30.300 0.048 0.000 1.179 485 R HN 0.903 nan 8.270 nan 0.000 0.472 486 E N 0.642 120.898 120.200 0.093 0.000 2.235 486 E HA 0.704 5.044 4.350 -0.017 0.000 0.265 486 E C -0.713 176.096 176.600 0.348 0.000 0.940 486 E CA -1.067 55.424 56.400 0.150 0.000 0.819 486 E CB 1.600 31.345 29.700 0.075 0.000 1.206 486 E HN 0.533 nan 8.360 nan 0.000 0.409 487 A N 1.471 124.493 122.820 0.335 0.000 2.466 487 A HA 0.166 4.476 4.320 -0.017 0.000 0.238 487 A C -0.250 177.433 177.584 0.165 0.000 1.074 487 A CA 0.073 52.312 52.037 0.338 0.000 0.774 487 A CB 0.250 19.427 19.000 0.295 0.000 1.015 487 A HN 0.685 nan 8.150 nan 0.000 0.498 488 D N 0.873 121.320 120.400 0.078 0.000 2.381 488 D HA 0.455 5.085 4.640 -0.017 0.000 0.245 488 D C 0.748 177.049 176.300 0.001 0.000 1.297 488 D CA 0.274 54.291 54.000 0.029 0.000 0.931 488 D CB 0.852 41.651 40.800 -0.001 0.000 1.334 488 D HN 0.468 nan 8.370 nan 0.000 0.535 489 A N 3.455 126.294 122.820 0.032 0.000 1.940 489 A HA -0.179 4.131 4.320 -0.017 0.000 0.219 489 A C 2.068 179.650 177.584 -0.003 0.000 1.176 489 A CA 1.449 53.502 52.037 0.025 0.000 0.631 489 A CB -0.278 18.751 19.000 0.048 0.000 0.814 489 A HN 0.541 nan 8.150 nan 0.000 0.446 490 R N 0.006 120.503 120.500 -0.005 0.000 2.105 490 R HA -0.140 4.190 4.340 -0.017 0.000 0.239 490 R C 1.556 177.834 176.300 -0.036 0.000 1.135 490 R CA 2.039 58.128 56.100 -0.018 0.000 0.967 490 R CB -0.458 29.835 30.300 -0.011 0.000 0.861 490 R HN 0.576 nan 8.270 nan 0.000 0.442 491 T N -3.284 111.246 114.554 -0.040 0.000 3.186 491 T HA 0.251 4.591 4.350 -0.017 0.000 0.257 491 T C 0.890 175.547 174.700 -0.071 0.000 1.029 491 T CA 0.186 62.254 62.100 -0.054 0.000 0.916 491 T CB 0.651 69.490 68.868 -0.049 0.000 1.041 491 T HN 0.395 nan 8.240 nan 0.000 0.562 492 G N 2.348 111.109 108.800 -0.065 0.000 2.321 492 G HA2 -0.351 3.599 3.960 -0.017 0.000 0.287 492 G HA3 -0.351 3.599 3.960 -0.017 0.000 0.287 492 G C 0.066 174.887 174.900 -0.132 0.000 1.018 492 G CA 0.250 45.310 45.100 -0.067 0.000 0.855 492 G HN 0.896 nan 8.290 nan 0.000 0.507 493 R N 0.611 120.994 120.500 -0.195 0.000 2.522 493 R HA 0.414 4.744 4.340 -0.017 0.000 0.284 493 R C 0.917 176.849 176.300 -0.614 0.000 1.032 493 R CA 1.052 56.909 56.100 -0.404 0.000 1.049 493 R CB 0.206 30.251 30.300 -0.424 0.000 0.956 493 R HN 0.482 nan 8.270 nan 0.000 0.422 494 T N 0.722 114.823 114.554 -0.755 0.000 2.838 494 T HA 0.548 4.888 4.350 -0.017 0.000 0.292 494 T C -1.051 173.108 174.700 -0.902 0.000 1.113 494 T CA -0.962 60.695 62.100 -0.739 0.000 1.008 494 T CB 1.258 69.863 68.868 -0.439 0.000 1.259 494 T HN 0.566 nan 8.240 nan 0.000 0.520 495 W N 0.548 121.791 121.300 -0.094 0.000 2.839 495 W HA 0.592 5.242 4.660 -0.016 0.000 0.334 495 W C -1.206 175.288 176.519 -0.043 0.000 1.064 495 W CA -1.174 56.142 57.345 -0.048 0.000 1.236 495 W CB 1.665 31.106 29.460 -0.031 0.000 1.405 495 W HN 0.587 nan 8.180 nan 0.000 0.478 496 I N 4.408 125.073 120.570 0.159 0.000 2.339 496 I HA 0.270 4.430 4.170 -0.017 0.000 0.290 496 I C -0.353 175.850 176.117 0.143 0.000 0.994 496 I CA -0.964 60.405 61.300 0.116 0.000 1.191 496 I CB 1.228 39.265 38.000 0.062 0.000 1.343 496 I HN 0.075 nan 8.210 nan 0.000 0.458 497 I N 6.190 126.850 120.570 0.150 0.000 2.321 497 I HA 0.311 4.471 4.170 -0.017 0.000 0.291 497 I C 0.383 176.585 176.117 0.141 0.000 0.998 497 I CA 0.260 61.643 61.300 0.137 0.000 1.227 497 I CB 1.228 39.301 38.000 0.122 0.000 1.368 497 I HN 0.574 nan 8.210 nan 0.000 0.466 498 S N 4.018 119.788 115.700 0.117 0.000 2.634 498 S HA 0.588 5.048 4.470 -0.017 0.000 0.296 498 S C -0.727 173.927 174.600 0.091 0.000 1.104 498 S CA -0.944 57.322 58.200 0.111 0.000 0.920 498 S CB 1.949 65.200 63.200 0.085 0.000 1.111 498 S HN 0.512 nan 8.310 nan 0.000 0.493 499 N N 1.855 120.602 118.700 0.078 0.000 2.546 499 N HA 0.390 5.120 4.740 -0.017 0.000 0.238 499 N C -1.999 173.530 175.510 0.032 0.000 0.984 499 N CA -2.332 50.749 53.050 0.051 0.000 0.935 499 N CB 1.440 39.949 38.487 0.037 0.000 1.122 499 N HN 0.376 nan 8.380 nan 0.000 0.510 500 P HA -0.034 nan 4.420 nan 0.000 0.230 500 P C 0.042 177.350 177.300 0.014 0.000 1.158 500 P CA 1.078 64.194 63.100 0.026 0.000 0.769 500 P CB 0.492 32.211 31.700 0.033 0.000 0.807 501 E N -0.991 119.216 120.200 0.012 0.000 2.481 501 E HA 0.123 4.463 4.350 -0.017 0.000 0.198 501 E C 0.255 176.846 176.600 -0.015 0.000 1.027 501 E CA -0.025 56.376 56.400 0.003 0.000 0.900 501 E CB 0.352 30.058 29.700 0.010 0.000 0.993 501 E HN -0.001 nan 8.360 nan 0.000 0.482 502 S N 1.158 116.843 115.700 -0.025 0.000 2.640 502 S HA 0.344 4.804 4.470 -0.017 0.000 0.320 502 S C -0.909 173.649 174.600 -0.070 0.000 1.097 502 S CA -0.698 57.468 58.200 -0.058 0.000 1.092 502 S CB 0.521 63.673 63.200 -0.081 0.000 0.988 502 S HN -0.048 nan 8.310 nan 0.000 0.470 503 K N 3.011 123.369 120.400 -0.071 0.000 2.203 503 K HA 0.433 4.743 4.320 -0.017 0.000 0.251 503 K C -0.008 176.538 176.600 -0.090 0.000 0.944 503 K CA -0.988 55.259 56.287 -0.066 0.000 0.829 503 K CB 1.033 33.508 32.500 -0.041 0.000 1.125 503 K HN 0.765 nan 8.250 nan 0.000 0.430 504 N N 0.712 119.359 118.700 -0.088 0.000 2.364 504 N HA 0.023 4.753 4.740 -0.017 0.000 0.264 504 N C 0.670 176.146 175.510 -0.057 0.000 1.263 504 N CA -0.369 52.626 53.050 -0.092 0.000 0.959 504 N CB 0.333 38.769 38.487 -0.085 0.000 1.204 504 N HN 0.584 nan 8.380 nan 0.000 0.550 505 R N -0.685 119.789 120.500 -0.044 0.000 2.293 505 R HA 0.018 4.348 4.340 -0.017 0.000 0.219 505 R C 0.549 176.835 176.300 -0.023 0.000 1.091 505 R CA 1.092 57.175 56.100 -0.029 0.000 1.004 505 R CB -0.724 29.564 30.300 -0.020 0.000 0.865 505 R HN 0.570 nan 8.270 nan 0.000 0.469 506 L N 1.054 122.263 121.223 -0.023 0.000 2.653 506 L HA 0.166 4.496 4.340 -0.017 0.000 0.232 506 L C -0.052 176.807 176.870 -0.018 0.000 1.169 506 L CA -0.227 54.602 54.840 -0.018 0.000 0.951 506 L CB -0.535 41.516 42.059 -0.015 0.000 1.181 506 L HN 0.260 nan 8.230 nan 0.000 0.460 507 N N 1.150 119.836 118.700 -0.022 0.000 2.747 507 N HA -0.191 4.539 4.740 -0.017 0.000 0.249 507 N C -0.347 175.152 175.510 -0.018 0.000 1.107 507 N CA 0.676 53.714 53.050 -0.021 0.000 0.707 507 N CB -0.454 38.024 38.487 -0.016 0.000 1.054 507 N HN 0.330 nan 8.380 nan 0.000 0.555 508 E N -0.179 120.008 120.200 -0.022 0.000 2.195 508 E HA 0.427 4.767 4.350 -0.017 0.000 0.271 508 E C -2.438 174.149 176.600 -0.020 0.000 0.923 508 E CA -1.851 54.539 56.400 -0.016 0.000 0.790 508 E CB 1.194 30.887 29.700 -0.012 0.000 1.155 508 E HN 0.122 nan 8.360 nan 0.000 0.402 509 P HA -0.049 nan 4.420 nan 0.000 0.265 509 P C -0.023 177.276 177.300 -0.001 0.000 1.193 509 P CA -0.156 62.940 63.100 -0.005 0.000 0.765 509 P CB 0.350 32.059 31.700 0.014 0.000 0.823 510 V N 1.523 121.424 119.914 -0.023 0.000 2.843 510 V HA 0.732 4.842 4.120 -0.017 0.000 0.305 510 V C 0.540 176.715 176.094 0.135 0.000 1.065 510 V CA 0.238 62.534 62.300 -0.006 0.000 1.116 510 V CB 0.198 31.908 31.823 -0.190 0.000 0.968 510 V HN 0.755 nan 8.190 nan 0.000 0.487 511 G N 2.464 111.397 108.800 0.221 0.000 2.623 511 G HA2 0.590 4.540 3.960 -0.017 0.000 0.290 511 G HA3 0.590 4.540 3.960 -0.017 0.000 0.290 511 G C -2.291 172.732 174.900 0.205 0.000 1.437 511 G CA -0.761 44.477 45.100 0.229 0.000 0.798 511 G HN 0.726 nan 8.290 nan 0.000 0.488 512 Y N -0.034 120.294 120.300 0.048 0.000 2.462 512 Y HA 0.634 5.175 4.550 -0.016 0.000 0.346 512 Y C 0.237 176.167 175.900 0.049 0.000 0.976 512 Y CA -0.747 57.366 58.100 0.021 0.000 1.044 512 Y CB 2.762 41.205 38.460 -0.029 0.000 1.230 512 Y HN 0.495 nan 8.280 nan 0.000 0.455 513 K N 3.753 124.227 120.400 0.124 0.000 2.235 513 K HA 0.515 4.825 4.320 -0.017 0.000 0.266 513 K C -1.681 174.954 176.600 0.057 0.000 0.980 513 K CA -0.877 55.432 56.287 0.036 0.000 0.849 513 K CB 1.005 33.459 32.500 -0.076 0.000 1.098 513 K HN 0.617 nan 8.250 nan 0.000 0.445 514 L N 5.521 126.769 121.223 0.042 0.000 2.265 514 L HA 0.254 4.584 4.340 -0.017 0.000 0.288 514 L C -1.089 175.759 176.870 -0.037 0.000 1.058 514 L CA 0.105 55.003 54.840 0.097 0.000 0.809 514 L CB 0.482 42.615 42.059 0.123 0.000 1.179 514 L HN 0.644 nan 8.230 nan 0.000 0.429 515 H N 5.430 124.611 119.070 0.186 0.000 2.581 515 H HA 0.559 5.105 4.556 -0.017 0.000 0.308 515 H C -0.278 175.191 175.328 0.235 0.000 1.040 515 H CA -0.361 55.792 56.048 0.175 0.000 1.231 515 H CB 1.402 31.255 29.762 0.151 0.000 1.396 515 H HN 0.827 nan 8.280 nan 0.000 0.467 516 A N 2.635 125.653 122.820 0.329 0.000 2.264 516 A HA 0.215 4.525 4.320 -0.017 0.000 0.304 516 A C 0.623 178.507 177.584 0.499 0.000 1.100 516 A CA -0.527 51.745 52.037 0.391 0.000 0.839 516 A CB 0.536 19.791 19.000 0.425 0.000 1.121 516 A HN 0.905 nan 8.150 nan 0.000 0.496 517 H N 0.659 119.916 119.070 0.312 0.000 2.535 517 H HA -0.013 4.533 4.556 -0.017 0.000 0.273 517 H C -0.092 175.360 175.328 0.207 0.000 0.983 517 H CA 0.325 56.507 56.048 0.224 0.000 1.238 517 H CB 0.189 30.075 29.762 0.206 0.000 1.412 517 H HN 0.758 nan 8.280 nan 0.000 0.562 518 N N 1.703 120.629 118.700 0.378 0.000 2.747 518 N HA -0.161 4.569 4.740 -0.017 0.000 0.249 518 N C -0.625 175.020 175.510 0.224 0.000 1.107 518 N CA 0.514 53.731 53.050 0.278 0.000 0.707 518 N CB -0.976 37.633 38.487 0.205 0.000 1.054 518 N HN 0.491 nan 8.380 nan 0.000 0.555 519 Q N 0.077 120.028 119.800 0.251 0.000 2.394 519 Q HA 0.305 4.635 4.340 -0.017 0.000 0.248 519 Q C -1.789 174.299 176.000 0.147 0.000 0.992 519 Q CA -0.967 54.950 55.803 0.190 0.000 0.888 519 Q CB 0.079 28.945 28.738 0.213 0.000 1.257 519 Q HN 0.151 nan 8.270 nan 0.000 0.462 520 P HA -0.029 nan 4.420 nan 0.000 0.266 520 P C -0.108 177.224 177.300 0.052 0.000 1.195 520 P CA 0.274 63.417 63.100 0.072 0.000 0.768 520 P CB 0.401 32.131 31.700 0.050 0.000 0.838 521 T N 0.253 114.830 114.554 0.039 0.000 2.924 521 T HA 0.326 4.667 4.350 -0.017 0.000 0.301 521 T C 0.289 174.964 174.700 -0.041 0.000 1.120 521 T CA -0.877 61.227 62.100 0.007 0.000 0.940 521 T CB 0.026 68.910 68.868 0.026 0.000 1.591 521 T HN 0.193 nan 8.240 nan 0.000 0.578 522 L N 0.979 122.152 121.223 -0.083 0.000 2.559 522 L HA 0.209 4.539 4.340 -0.017 0.000 0.274 522 L C 0.778 177.607 176.870 -0.069 0.000 1.205 522 L CA 0.184 54.957 54.840 -0.112 0.000 0.907 522 L CB -0.365 41.598 42.059 -0.160 0.000 1.153 522 L HN 0.638 nan 8.230 nan 0.000 0.490 523 L N 4.983 126.165 121.223 -0.068 0.000 2.375 523 L HA 0.243 4.573 4.340 -0.017 0.000 0.215 523 L C 1.350 178.207 176.870 -0.023 0.000 1.108 523 L CA 0.182 55.002 54.840 -0.033 0.000 0.830 523 L CB -0.483 41.560 42.059 -0.026 0.000 0.959 523 L HN 0.827 nan 8.230 nan 0.000 0.457 524 A N 0.770 123.567 122.820 -0.038 0.000 2.555 524 A HA -0.091 4.219 4.320 -0.017 0.000 0.233 524 A C 0.307 177.886 177.584 -0.008 0.000 1.060 524 A CA -0.107 51.918 52.037 -0.020 0.000 0.759 524 A CB -0.070 18.913 19.000 -0.028 0.000 0.995 524 A HN 0.272 nan 8.150 nan 0.000 0.506 525 D N 2.408 122.811 120.400 0.005 0.000 2.506 525 D HA -0.014 4.616 4.640 -0.017 0.000 0.234 525 D C -1.201 175.101 176.300 0.002 0.000 1.143 525 D CA -0.679 53.325 54.000 0.007 0.000 0.871 525 D CB 0.837 41.646 40.800 0.014 0.000 1.190 525 D HN 0.291 nan 8.370 nan 0.000 0.459 526 P HA -0.028 nan 4.420 nan 0.000 0.226 526 P C 1.006 178.305 177.300 -0.003 0.000 1.153 526 P CA 0.585 63.683 63.100 -0.003 0.000 0.777 526 P CB 0.112 31.810 31.700 -0.002 0.000 0.794 527 G N 0.166 108.967 108.800 0.002 0.000 3.088 527 G HA2 0.019 3.969 3.960 -0.017 0.000 0.212 527 G HA3 0.019 3.969 3.960 -0.017 0.000 0.212 527 G C 0.613 175.517 174.900 0.007 0.000 1.173 527 G CA 0.066 45.167 45.100 0.002 0.000 0.779 527 G HN 0.431 nan 8.290 nan 0.000 0.540 528 S N -0.890 114.818 115.700 0.012 0.000 2.617 528 S HA 0.385 4.845 4.470 -0.017 0.000 0.269 528 S C 1.515 176.121 174.600 0.010 0.000 1.292 528 S CA 0.394 58.612 58.200 0.031 0.000 1.010 528 S CB 1.771 64.998 63.200 0.044 0.000 0.944 528 S HN 0.042 nan 8.310 nan 0.000 0.536 529 S N 0.689 116.400 115.700 0.018 0.000 2.359 529 S HA -0.152 4.308 4.470 -0.017 0.000 0.224 529 S C 1.671 176.248 174.600 -0.040 0.000 1.035 529 S CA 1.352 59.505 58.200 -0.078 0.000 1.018 529 S CB -0.799 62.237 63.200 -0.273 0.000 0.876 529 S HN 0.712 nan 8.310 nan 0.000 0.448 530 I N 1.937 122.525 120.570 0.031 0.000 2.315 530 I HA 0.029 4.189 4.170 -0.017 0.000 0.248 530 I C 2.310 178.430 176.117 0.004 0.000 1.117 530 I CA 1.251 62.577 61.300 0.043 0.000 1.404 530 I CB -0.950 37.068 38.000 0.031 0.000 1.071 530 I HN 0.323 nan 8.210 nan 0.000 0.419 531 A N 0.181 122.993 122.820 -0.014 0.000 1.969 531 A HA -0.169 4.141 4.320 -0.017 0.000 0.218 531 A C 2.452 180.021 177.584 -0.025 0.000 1.169 531 A CA 1.454 53.473 52.037 -0.031 0.000 0.635 531 A CB -0.526 18.461 19.000 -0.022 0.000 0.810 531 A HN 0.444 nan 8.150 nan 0.000 0.445 532 R N -0.917 119.566 120.500 -0.027 0.000 2.075 532 R HA 0.040 4.370 4.340 -0.017 0.000 0.226 532 R C 2.348 178.623 176.300 -0.042 0.000 1.114 532 R CA 1.131 57.205 56.100 -0.044 0.000 0.972 532 R CB -0.202 30.056 30.300 -0.071 0.000 0.869 532 R HN 0.447 nan 8.270 nan 0.000 0.437 533 R N 0.147 120.640 120.500 -0.012 0.000 2.148 533 R HA 0.058 4.388 4.340 -0.017 0.000 0.223 533 R C 0.974 177.387 176.300 0.187 0.000 1.088 533 R CA 1.099 57.218 56.100 0.030 0.000 0.985 533 R CB 0.205 30.543 30.300 0.064 0.000 0.880 533 R HN 0.058 nan 8.270 nan 0.000 0.451 534 A N 0.277 123.205 122.820 0.180 0.000 2.911 534 A HA 0.490 4.800 4.320 -0.017 0.000 0.304 534 A C 1.250 178.718 177.584 -0.194 0.000 1.144 534 A CA -0.031 52.064 52.037 0.098 0.000 0.988 534 A CB 0.209 19.168 19.000 -0.068 0.000 1.141 534 A HN 0.248 nan 8.150 nan 0.000 0.552 535 A N 0.401 123.196 122.820 -0.042 0.000 1.948 535 A HA -0.095 4.215 4.320 -0.017 0.000 0.220 535 A C 1.814 179.405 177.584 0.012 0.000 1.177 535 A CA 1.863 53.891 52.037 -0.015 0.000 0.636 535 A CB -0.981 18.031 19.000 0.019 0.000 0.815 535 A HN 1.368 nan 8.150 nan 0.000 0.449 536 F N -0.154 119.701 119.950 -0.158 0.000 2.192 536 F HA -0.018 4.499 4.527 -0.017 0.000 0.301 536 F C 2.023 177.917 175.800 0.157 0.000 1.079 536 F CA 0.932 58.758 58.000 -0.290 0.000 1.303 536 F CB -0.887 37.825 39.000 -0.481 0.000 1.024 536 F HN 0.154 nan 8.300 nan 0.000 0.494 537 A N 0.419 122.639 122.820 -1.000 0.000 2.206 537 A HA 0.008 4.318 4.320 -0.017 0.000 0.211 537 A C 2.101 179.561 177.584 -0.208 0.000 1.158 537 A CA 1.209 52.815 52.037 -0.718 0.000 0.761 537 A CB -1.435 16.980 19.000 -0.975 0.000 0.801 537 A HN 0.578 nan 8.150 nan 0.000 0.473 538 T N -3.358 111.161 114.554 -0.058 0.000 3.081 538 T HA 0.181 4.521 4.350 -0.017 0.000 0.255 538 T C 0.624 175.349 174.700 0.041 0.000 1.113 538 T CA 0.265 62.368 62.100 0.004 0.000 1.082 538 T CB 0.083 68.966 68.868 0.025 0.000 0.939 538 T HN 0.126 nan 8.240 nan 0.000 0.506 539 K N 0.972 121.445 120.400 0.122 0.000 2.477 539 K HA 0.394 4.704 4.320 -0.017 0.000 0.255 539 K C -0.580 176.092 176.600 0.119 0.000 0.952 539 K CA -0.489 55.798 56.287 -0.000 0.000 0.826 539 K CB 2.152 34.422 32.500 -0.385 0.000 1.331 539 K HN -0.053 nan 8.250 nan 0.000 0.437 540 D N 0.267 120.698 120.400 0.052 0.000 2.194 540 D HA 0.004 4.634 4.640 -0.017 0.000 0.204 540 D C -0.107 176.264 176.300 0.119 0.000 0.964 540 D CA 0.714 54.799 54.000 0.141 0.000 0.846 540 D CB 0.309 41.233 40.800 0.206 0.000 0.962 540 D HN 0.091 nan 8.370 nan 0.000 0.490 541 L N -0.061 121.080 121.223 -0.136 0.000 2.505 541 L HA 0.434 4.764 4.340 -0.017 0.000 0.266 541 L C -2.027 174.730 176.870 -0.189 0.000 0.954 541 L CA -0.583 54.116 54.840 -0.235 0.000 0.852 541 L CB 1.397 42.845 42.059 -1.017 0.000 1.282 541 L HN -0.126 nan 8.230 nan 0.000 0.403 542 W N 4.400 125.689 121.300 -0.017 0.000 2.819 542 W HA 0.763 5.413 4.660 -0.017 0.000 0.337 542 W C -1.121 175.503 176.519 0.176 0.000 1.077 542 W CA -0.912 56.465 57.345 0.053 0.000 1.226 542 W CB 1.924 31.402 29.460 0.030 0.000 1.419 542 W HN 0.156 nan 8.180 nan 0.000 0.502 543 V N 2.647 122.775 119.914 0.357 0.000 2.487 543 V HA 0.677 4.787 4.120 -0.017 0.000 0.298 543 V C 0.041 176.341 176.094 0.343 0.000 1.028 543 V CA -0.845 61.655 62.300 0.334 0.000 0.860 543 V CB 1.265 33.199 31.823 0.184 0.000 0.991 543 V HN 0.588 nan 8.190 nan 0.000 0.427 544 T N 1.640 116.451 114.554 0.429 0.000 2.932 544 T HA 0.720 5.060 4.350 -0.017 0.000 0.289 544 T C -0.302 174.543 174.700 0.242 0.000 1.039 544 T CA -0.929 61.374 62.100 0.340 0.000 1.024 544 T CB 1.916 71.045 68.868 0.435 0.000 1.090 544 T HN 0.505 nan 8.240 nan 0.000 0.496 545 R N 1.003 121.604 120.500 0.168 0.000 2.442 545 R HA 0.248 4.578 4.340 -0.017 0.000 0.291 545 R C -0.817 175.550 176.300 0.112 0.000 1.069 545 R CA -0.735 55.442 56.100 0.129 0.000 1.022 545 R CB -0.604 29.746 30.300 0.084 0.000 0.976 545 R HN 0.766 nan 8.270 nan 0.000 0.443 546 Y N 3.318 123.625 120.300 0.011 0.000 2.620 546 Y HA 0.314 4.854 4.550 -0.016 0.000 0.330 546 Y C -0.754 175.107 175.900 -0.066 0.000 1.186 546 Y CA 0.620 58.699 58.100 -0.035 0.000 1.467 546 Y CB 0.360 38.773 38.460 -0.077 0.000 1.262 546 Y HN 0.719 nan 8.280 nan 0.000 0.550 547 A N 4.788 127.048 122.820 -0.932 0.000 2.486 547 A HA 0.333 4.643 4.320 -0.017 0.000 0.300 547 A C 0.001 176.924 177.584 -1.101 0.000 1.048 547 A CA -0.311 51.193 52.037 -0.890 0.000 0.696 547 A CB 0.770 19.497 19.000 -0.455 0.000 1.278 547 A HN 0.801 nan 8.150 nan 0.000 0.405 548 D N 0.706 120.638 120.400 -0.779 0.000 2.348 548 D HA -0.111 4.519 4.640 -0.017 0.000 0.216 548 D C 0.428 176.546 176.300 -0.304 0.000 0.970 548 D CA 1.309 55.036 54.000 -0.453 0.000 0.889 548 D CB 0.032 40.753 40.800 -0.132 0.000 0.912 548 D HN 0.522 nan 8.370 nan 0.000 0.524 549 D N -0.028 120.184 120.400 -0.314 0.000 2.363 549 D HA -0.025 4.605 4.640 -0.017 0.000 0.214 549 D C -0.203 175.900 176.300 -0.328 0.000 1.093 549 D CA -0.206 53.648 54.000 -0.243 0.000 0.837 549 D CB -0.608 40.094 40.800 -0.162 0.000 0.948 549 D HN 0.231 nan 8.370 nan 0.000 0.507 550 E N 0.762 120.684 120.200 -0.462 0.000 2.261 550 E HA 0.315 4.655 4.350 -0.017 0.000 0.239 550 E C 0.556 177.031 176.600 -0.210 0.000 0.991 550 E CA -0.260 55.777 56.400 -0.604 0.000 0.847 550 E CB 0.952 30.072 29.700 -0.967 0.000 1.223 550 E HN 0.144 nan 8.360 nan 0.000 0.446 551 R N 0.874 121.221 120.500 -0.256 0.000 2.175 551 R HA 0.113 4.443 4.340 -0.017 0.000 0.202 551 R C -0.085 175.956 176.300 -0.432 0.000 1.018 551 R CA 0.655 56.446 56.100 -0.514 0.000 1.029 551 R CB 0.472 30.111 30.300 -1.102 0.000 0.959 551 R HN 0.267 nan 8.270 nan 0.000 0.480 552 Y N -0.161 120.283 120.300 0.239 0.000 2.477 552 Y HA 0.305 4.846 4.550 -0.016 0.000 0.347 552 Y C -1.882 174.008 175.900 -0.017 0.000 0.981 552 Y CA -3.158 55.027 58.100 0.143 0.000 1.033 552 Y CB 1.363 39.798 38.460 -0.042 0.000 1.245 552 Y HN -0.179 nan 8.280 nan 0.000 0.455 553 P HA -0.061 nan 4.420 nan 0.000 0.233 553 P C 0.702 177.747 177.300 -0.426 0.000 1.167 553 P CA 1.268 64.033 63.100 -0.558 0.000 0.770 553 P CB 0.131 31.392 31.700 -0.732 0.000 0.837 554 T N -4.762 109.649 114.554 -0.238 0.000 3.092 554 T HA 0.510 4.850 4.350 -0.017 0.000 0.258 554 T C 0.911 175.538 174.700 -0.122 0.000 1.031 554 T CA 0.107 62.112 62.100 -0.158 0.000 0.925 554 T CB -0.148 68.632 68.868 -0.147 0.000 1.036 554 T HN 0.317 nan 8.240 nan 0.000 0.544 555 G N 1.458 110.222 108.800 -0.059 0.000 2.728 555 G HA2 -0.176 3.774 3.960 -0.017 0.000 0.294 555 G HA3 -0.176 3.774 3.960 -0.017 0.000 0.294 555 G C -0.187 174.693 174.900 -0.033 0.000 1.342 555 G CA -0.103 44.995 45.100 -0.004 0.000 0.866 555 G HN 0.175 nan 8.290 nan 0.000 0.534 556 D N -0.603 119.677 120.400 -0.200 0.000 2.194 556 D HA 0.108 4.738 4.640 -0.017 0.000 0.204 556 D C 0.751 176.500 176.300 -0.919 0.000 0.964 556 D CA 1.426 55.094 54.000 -0.554 0.000 0.846 556 D CB -0.015 40.203 40.800 -0.969 0.000 0.962 556 D HN 0.219 nan 8.370 nan 0.000 0.490 557 F N -0.071 119.716 119.950 -0.272 0.000 2.513 557 F HA 0.228 4.745 4.527 -0.016 0.000 0.358 557 F C 0.944 176.564 175.800 -0.300 0.000 1.118 557 F CA -0.675 57.120 58.000 -0.341 0.000 1.037 557 F CB 1.573 40.303 39.000 -0.449 0.000 1.276 557 F HN -0.372 nan 8.300 nan 0.000 0.446 558 V N 0.203 120.042 119.914 -0.124 0.000 2.685 558 V HA -0.046 4.064 4.120 -0.017 0.000 0.244 558 V C 1.036 177.046 176.094 -0.140 0.000 1.054 558 V CA 0.265 62.443 62.300 -0.204 0.000 1.076 558 V CB -0.407 31.160 31.823 -0.426 0.000 0.725 558 V HN 0.665 nan 8.190 nan 0.000 0.467 559 N N 1.714 120.365 118.700 -0.081 0.000 2.374 559 N HA -0.076 4.654 4.740 -0.017 0.000 0.269 559 N C 0.516 176.021 175.510 -0.008 0.000 1.310 559 N CA 0.785 53.812 53.050 -0.038 0.000 0.877 559 N CB -0.245 38.218 38.487 -0.039 0.000 1.096 559 N HN 0.450 nan 8.380 nan 0.000 0.484 560 Q N 0.195 119.995 119.800 0.001 0.000 2.461 560 Q HA -0.308 4.022 4.340 -0.017 0.000 0.273 560 Q C -0.818 175.193 176.000 0.020 0.000 1.163 560 Q CA 0.895 56.696 55.803 -0.003 0.000 0.929 560 Q CB -1.656 27.077 28.738 -0.008 0.000 1.334 560 Q HN 0.701 nan 8.270 nan 0.000 0.499 561 H N 0.020 119.020 119.070 -0.116 0.000 2.481 561 H HA 0.403 4.949 4.556 -0.017 0.000 0.333 561 H C 0.384 175.633 175.328 -0.131 0.000 1.066 561 H CA 0.138 56.117 56.048 -0.116 0.000 1.209 561 H CB 1.076 30.774 29.762 -0.106 0.000 1.445 561 H HN 0.302 nan 8.280 nan 0.000 0.488 562 S N 3.120 118.492 115.700 -0.547 0.000 2.633 562 S HA 0.252 4.712 4.470 -0.017 0.000 0.257 562 S C 0.939 175.180 174.600 -0.597 0.000 1.265 562 S CA -0.267 57.655 58.200 -0.464 0.000 0.980 562 S CB 0.636 63.643 63.200 -0.322 0.000 1.017 562 S HN 0.727 nan 8.310 nan 0.000 0.577 563 G N -1.546 107.049 108.800 -0.342 0.000 2.664 563 G HA2 0.460 4.410 3.960 -0.017 0.000 0.242 563 G HA3 0.460 4.410 3.960 -0.017 0.000 0.242 563 G C 0.879 175.624 174.900 -0.258 0.000 1.225 563 G CA -0.256 44.689 45.100 -0.259 0.000 0.849 563 G HN 1.960 nan 8.290 nan 0.000 0.581 564 G N -1.599 107.102 108.800 -0.164 0.000 2.551 564 G HA2 0.343 4.293 3.960 -0.017 0.000 0.186 564 G HA3 0.343 4.293 3.960 -0.017 0.000 0.186 564 G C 0.369 175.239 174.900 -0.050 0.000 1.002 564 G CA 0.723 45.768 45.100 -0.092 0.000 0.723 564 G HN 1.774 nan 8.290 nan 0.000 0.481 565 A N -0.412 122.385 122.820 -0.039 0.000 2.468 565 A HA 1.079 5.389 4.320 -0.017 0.000 0.270 565 A C 1.447 178.837 177.584 -0.323 0.000 1.217 565 A CA 0.954 52.945 52.037 -0.077 0.000 0.908 565 A CB 0.579 19.636 19.000 0.094 0.000 1.423 565 A HN 2.238 nan 8.150 nan 0.000 0.459 566 G N -1.641 106.825 108.800 -0.556 0.000 2.645 566 G HA2 -0.165 3.785 3.960 -0.017 0.000 0.246 566 G HA3 -0.165 3.785 3.960 -0.017 0.000 0.246 566 G C 0.749 174.774 174.900 -1.458 0.000 1.322 566 G CA 0.195 44.727 45.100 -0.945 0.000 0.898 566 G HN 1.213 nan 8.290 nan 0.000 0.573 567 L N 1.244 121.796 121.223 -1.119 0.000 2.042 567 L HA -0.079 4.251 4.340 -0.017 0.000 0.210 567 L C 0.231 176.757 176.870 -0.572 0.000 1.076 567 L CA 2.424 56.660 54.840 -1.008 0.000 0.749 567 L CB -1.120 40.130 42.059 -1.349 0.000 0.893 567 L HN 0.438 nan 8.230 nan 0.000 0.432 568 P HA -0.133 nan 4.420 nan 0.000 0.218 568 P C 1.791 179.021 177.300 -0.115 0.000 1.149 568 P CA 1.603 64.640 63.100 -0.105 0.000 0.817 568 P CB -0.019 31.645 31.700 -0.061 0.000 0.785 569 S N -1.815 113.739 115.700 -0.242 0.000 2.368 569 S HA -0.205 4.255 4.470 -0.017 0.000 0.224 569 S C 1.905 176.509 174.600 0.007 0.000 1.029 569 S CA 1.032 59.155 58.200 -0.127 0.000 0.988 569 S CB -1.752 61.360 63.200 -0.146 0.000 0.838 569 S HN 0.003 nan 8.310 nan 0.000 0.462 570 Y N 2.068 122.313 120.300 -0.092 0.000 2.114 570 Y HA 0.074 4.614 4.550 -0.017 0.000 0.284 570 Y C 2.603 178.488 175.900 -0.024 0.000 1.143 570 Y CA -0.418 57.634 58.100 -0.080 0.000 1.135 570 Y CB -1.168 37.202 38.460 -0.149 0.000 0.980 570 Y HN 0.200 nan 8.280 nan 0.000 0.499 571 I N 0.170 120.830 120.570 0.150 0.000 2.335 571 I HA -0.287 3.873 4.170 -0.017 0.000 0.251 571 I C 2.444 178.622 176.117 0.102 0.000 1.129 571 I CA 1.474 62.861 61.300 0.144 0.000 1.402 571 I CB -1.543 36.579 38.000 0.203 0.000 1.069 571 I HN 0.172 nan 8.210 nan 0.000 0.424 572 A N 0.066 122.933 122.820 0.078 0.000 2.076 572 A HA -0.230 4.080 4.320 -0.017 0.000 0.220 572 A C 2.138 179.754 177.584 0.054 0.000 1.160 572 A CA 1.225 53.296 52.037 0.055 0.000 0.653 572 A CB -0.572 18.450 19.000 0.037 0.000 0.801 572 A HN 0.545 nan 8.150 nan 0.000 0.455 573 Q N -1.413 118.426 119.800 0.065 0.000 2.364 573 Q HA -0.092 4.238 4.340 -0.017 0.000 0.207 573 Q C 0.134 176.163 176.000 0.049 0.000 0.970 573 Q CA 0.522 56.356 55.803 0.052 0.000 0.888 573 Q CB -0.045 28.724 28.738 0.051 0.000 0.951 573 Q HN 0.615 nan 8.270 nan 0.000 0.469 574 D N 0.624 121.060 120.400 0.059 0.000 2.689 574 D HA -0.170 4.460 4.640 -0.017 0.000 0.237 574 D C -0.958 175.373 176.300 0.052 0.000 1.148 574 D CA 0.589 54.622 54.000 0.055 0.000 0.656 574 D CB -0.577 40.249 40.800 0.043 0.000 1.050 574 D HN 0.213 nan 8.370 nan 0.000 0.426 575 R N 0.369 120.904 120.500 0.059 0.000 2.560 575 R HA 0.330 4.660 4.340 -0.017 0.000 0.270 575 R C 0.220 176.556 176.300 0.060 0.000 1.074 575 R CA -0.655 55.477 56.100 0.053 0.000 1.140 575 R CB 0.448 30.779 30.300 0.052 0.000 1.073 575 R HN 0.149 nan 8.270 nan 0.000 0.527 576 D N 2.029 122.461 120.400 0.054 0.000 2.417 576 D HA 0.017 4.647 4.640 -0.017 0.000 0.250 576 D C 0.454 176.795 176.300 0.068 0.000 1.166 576 D CA 0.058 54.091 54.000 0.056 0.000 0.881 576 D CB 0.578 41.407 40.800 0.047 0.000 1.164 576 D HN 0.539 nan 8.370 nan 0.000 0.467 577 I N -0.183 120.432 120.570 0.075 0.000 3.947 577 I HA 0.340 4.500 4.170 -0.017 0.000 0.327 577 I C 0.117 176.284 176.117 0.082 0.000 1.519 577 I CA -0.512 60.841 61.300 0.088 0.000 1.122 577 I CB 0.521 38.583 38.000 0.104 0.000 1.146 577 I HN 0.042 nan 8.210 nan 0.000 0.442 578 D N 2.882 123.324 120.400 0.070 0.000 2.500 578 D HA 0.395 5.025 4.640 -0.017 0.000 0.219 578 D C 0.973 177.309 176.300 0.060 0.000 1.137 578 D CA 0.321 54.359 54.000 0.064 0.000 0.946 578 D CB 0.441 41.274 40.800 0.055 0.000 1.022 578 D HN 0.550 nan 8.370 nan 0.000 0.518 579 G N 3.080 111.920 108.800 0.067 0.000 2.520 579 G HA2 -0.160 3.790 3.960 -0.017 0.000 0.264 579 G HA3 -0.160 3.790 3.960 -0.017 0.000 0.264 579 G C -0.223 174.719 174.900 0.070 0.000 1.140 579 G CA -0.425 44.713 45.100 0.064 0.000 1.012 579 G HN 0.446 nan 8.290 nan 0.000 0.511 580 Q N -0.729 119.121 119.800 0.083 0.000 2.626 580 Q HA 0.381 4.711 4.340 -0.017 0.000 0.300 580 Q C -1.144 174.924 176.000 0.112 0.000 0.988 580 Q CA -0.928 54.928 55.803 0.088 0.000 0.761 580 Q CB 1.158 29.944 28.738 0.080 0.000 1.494 580 Q HN 0.253 nan 8.270 nan 0.000 0.439 581 D N 1.933 122.397 120.400 0.107 0.000 2.344 581 D HA 0.318 4.948 4.640 -0.017 0.000 0.253 581 D C -0.383 176.003 176.300 0.144 0.000 1.255 581 D CA 0.059 54.130 54.000 0.118 0.000 0.894 581 D CB -0.259 40.532 40.800 -0.015 0.000 1.067 581 D HN 0.439 nan 8.370 nan 0.000 0.492 582 I N 0.068 120.727 120.570 0.149 0.000 2.957 582 I HA 0.689 4.849 4.170 -0.017 0.000 0.310 582 I C -1.040 175.145 176.117 0.114 0.000 1.063 582 I CA -1.100 60.287 61.300 0.144 0.000 1.033 582 I CB 2.260 40.338 38.000 0.129 0.000 1.230 582 I HN -0.081 nan 8.210 nan 0.000 0.447 583 V N 3.784 123.761 119.914 0.105 0.000 2.577 583 V HA 0.402 4.512 4.120 -0.017 0.000 0.303 583 V C -0.168 175.897 176.094 -0.048 0.000 1.042 583 V CA -0.654 61.616 62.300 -0.049 0.000 0.872 583 V CB 1.783 33.519 31.823 -0.146 0.000 0.998 583 V HN 0.569 nan 8.190 nan 0.000 0.423 584 V N 3.829 123.659 119.914 -0.139 0.000 2.427 584 V HA 0.459 4.569 4.120 -0.017 0.000 0.286 584 V C -1.053 174.965 176.094 -0.127 0.000 1.034 584 V CA -0.439 61.846 62.300 -0.026 0.000 0.893 584 V CB 1.538 33.350 31.823 -0.018 0.000 0.982 584 V HN 0.917 nan 8.190 nan 0.000 0.452 585 W N 4.023 125.370 121.300 0.078 0.000 2.362 585 W HA 0.513 5.163 4.660 -0.016 0.000 0.316 585 W C -0.194 176.426 176.519 0.167 0.000 1.024 585 W CA -0.644 56.753 57.345 0.087 0.000 1.270 585 W CB 0.503 29.985 29.460 0.037 0.000 1.273 585 W HN 0.585 nan 8.180 nan 0.000 0.424 586 H N 1.715 120.875 119.070 0.150 0.000 2.504 586 H HA 0.486 5.032 4.556 -0.016 0.000 0.322 586 H C -0.342 175.172 175.328 0.311 0.000 1.055 586 H CA -0.361 55.740 56.048 0.088 0.000 1.231 586 H CB 0.966 30.578 29.762 -0.249 0.000 1.417 586 H HN 0.181 nan 8.280 nan 0.000 0.472 587 T N 7.457 122.038 114.554 0.045 0.000 2.780 587 T HA 0.388 4.728 4.350 -0.017 0.000 0.294 587 T C -0.901 173.700 174.700 -0.166 0.000 0.949 587 T CA -0.196 61.936 62.100 0.054 0.000 1.074 587 T CB -0.448 68.546 68.868 0.210 0.000 0.910 587 T HN 0.486 nan 8.240 nan 0.000 0.501 588 F N 0.116 119.959 119.950 -0.179 0.000 2.608 588 F HA 0.857 5.374 4.527 -0.016 0.000 0.309 588 F C -0.228 175.674 175.800 0.169 0.000 1.103 588 F CA -1.268 56.693 58.000 -0.065 0.000 0.954 588 F CB 1.127 40.062 39.000 -0.110 0.000 1.267 588 F HN 0.736 nan 8.300 nan 0.000 0.444 589 G N 1.899 110.810 108.800 0.185 0.000 2.682 589 G HA2 0.637 4.587 3.960 -0.017 0.000 0.290 589 G HA3 0.637 4.587 3.960 -0.017 0.000 0.290 589 G C -2.474 172.537 174.900 0.185 0.000 1.425 589 G CA -1.142 44.062 45.100 0.173 0.000 0.807 589 G HN 0.839 nan 8.290 nan 0.000 0.482 590 L N 0.449 121.779 121.223 0.178 0.000 2.317 590 L HA 0.560 4.890 4.340 -0.017 0.000 0.281 590 L C 0.006 176.890 176.870 0.024 0.000 1.024 590 L CA -0.577 54.332 54.840 0.114 0.000 0.810 590 L CB 2.367 44.501 42.059 0.126 0.000 1.240 590 L HN 0.432 nan 8.230 nan 0.000 0.427 591 T N 1.376 115.896 114.554 -0.056 0.000 2.756 591 T HA 0.235 4.575 4.350 -0.017 0.000 0.290 591 T C -0.715 173.795 174.700 -0.317 0.000 0.985 591 T CA -0.199 61.762 62.100 -0.232 0.000 0.955 591 T CB 0.100 68.844 68.868 -0.207 0.000 0.930 591 T HN 0.430 nan 8.240 nan 0.000 0.451 592 H N 3.294 121.960 119.070 -0.674 0.000 2.638 592 H HA 0.388 4.934 4.556 -0.016 0.000 0.303 592 H C -1.139 173.723 175.328 -0.778 0.000 1.034 592 H CA -1.109 54.579 56.048 -0.600 0.000 1.225 592 H CB 0.288 29.713 29.762 -0.562 0.000 1.394 592 H HN 0.447 nan 8.280 nan 0.000 0.477 593 F N 6.709 126.572 119.950 -0.144 0.000 2.303 593 F HA 0.283 4.800 4.527 -0.017 0.000 0.368 593 F C -2.043 173.742 175.800 -0.025 0.000 1.105 593 F CA -2.430 55.366 58.000 -0.339 0.000 1.153 593 F CB 0.704 39.378 39.000 -0.544 0.000 1.362 593 F HN 0.493 nan 8.300 nan 0.000 0.511 594 P HA 0.147 nan 4.420 nan 0.000 0.269 594 P C -0.473 176.946 177.300 0.198 0.000 1.209 594 P CA -0.351 62.805 63.100 0.093 0.000 0.776 594 P CB 0.656 32.356 31.700 0.000 0.000 0.876 595 R N 1.248 121.875 120.500 0.212 0.000 2.873 595 R HA 0.428 4.758 4.340 -0.017 0.000 0.264 595 R C 0.391 176.778 176.300 0.145 0.000 1.026 595 R CA -0.804 55.388 56.100 0.154 0.000 1.002 595 R CB 0.308 30.692 30.300 0.140 0.000 1.174 595 R HN 0.070 nan 8.270 nan 0.000 0.488 596 V N 1.204 121.180 119.914 0.102 0.000 2.392 596 V HA -0.239 3.872 4.120 -0.017 0.000 0.249 596 V C 1.654 177.844 176.094 0.160 0.000 1.059 596 V CA 2.140 64.508 62.300 0.115 0.000 1.051 596 V CB -0.784 31.080 31.823 0.068 0.000 0.658 596 V HN 0.778 nan 8.190 nan 0.000 0.455 597 E N 0.035 120.310 120.200 0.125 0.000 2.409 597 E HA -0.155 4.185 4.350 -0.017 0.000 0.198 597 E C 1.635 178.311 176.600 0.128 0.000 1.024 597 E CA 0.840 57.306 56.400 0.109 0.000 0.861 597 E CB -0.260 29.485 29.700 0.075 0.000 0.788 597 E HN 0.592 nan 8.360 nan 0.000 0.521 598 D N -0.860 119.651 120.400 0.186 0.000 2.363 598 D HA -0.081 4.549 4.640 -0.017 0.000 0.220 598 D C -0.230 176.221 176.300 0.252 0.000 0.994 598 D CA 0.352 54.479 54.000 0.212 0.000 0.890 598 D CB 0.087 41.068 40.800 0.301 0.000 0.906 598 D HN 0.235 nan 8.370 nan 0.000 0.530 599 W N 2.205 123.533 121.300 0.047 0.000 2.573 599 W HA 0.222 4.872 4.660 -0.017 0.000 0.326 599 W C -2.012 174.534 176.519 0.045 0.000 1.049 599 W CA -1.969 55.402 57.345 0.044 0.000 1.220 599 W CB 2.151 31.635 29.460 0.041 0.000 1.373 599 W HN -0.185 nan 8.180 nan 0.000 0.507 600 P HA 0.153 nan 4.420 nan 0.000 0.257 600 P C -0.178 176.701 177.300 -0.702 0.000 1.241 600 P CA 0.591 62.814 63.100 -1.462 0.000 0.816 600 P CB 1.494 32.551 31.700 -1.072 0.000 1.150 601 I N -0.697 119.624 120.570 -0.415 0.000 2.656 601 I HA 0.360 4.520 4.170 -0.017 0.000 0.292 601 I C -0.982 175.008 176.117 -0.212 0.000 1.144 601 I CA -1.603 59.446 61.300 -0.419 0.000 1.038 601 I CB 2.728 40.222 38.000 -0.844 0.000 1.244 601 I HN -0.300 nan 8.210 nan 0.000 0.420 602 M N 9.120 128.639 119.600 -0.134 0.000 2.162 602 M HA 0.453 4.923 4.480 -0.017 0.000 0.356 602 M C -2.394 173.873 176.300 -0.054 0.000 1.303 602 M CA -1.425 53.857 55.300 -0.029 0.000 1.116 602 M CB 0.947 33.565 32.600 0.029 0.000 1.632 602 M HN 0.294 nan 8.290 nan 0.000 0.469 603 P HA 0.035 nan 4.420 nan 0.000 0.268 603 P C -0.866 176.416 177.300 -0.029 0.000 1.205 603 P CA -0.392 62.689 63.100 -0.032 0.000 0.771 603 P CB 0.394 32.084 31.700 -0.017 0.000 0.858 604 V N 3.446 123.346 119.914 -0.023 0.000 2.644 604 V HA -0.064 4.046 4.120 -0.017 0.000 0.305 604 V C 0.703 176.771 176.094 -0.043 0.000 1.053 604 V CA 1.117 63.406 62.300 -0.019 0.000 1.186 604 V CB -0.163 31.664 31.823 0.006 0.000 0.895 604 V HN 0.586 nan 8.190 nan 0.000 0.490 605 D N 2.461 122.820 120.400 -0.068 0.000 2.350 605 D HA 0.704 5.334 4.640 -0.017 0.000 0.238 605 D C -0.190 176.065 176.300 -0.075 0.000 0.989 605 D CA -0.186 53.767 54.000 -0.078 0.000 0.921 605 D CB 2.232 42.959 40.800 -0.121 0.000 1.297 605 D HN 0.717 nan 8.370 nan 0.000 0.490 606 T N -1.568 112.953 114.554 -0.056 0.000 2.916 606 T HA 0.757 5.097 4.350 -0.017 0.000 0.292 606 T C -0.802 173.902 174.700 0.006 0.000 1.055 606 T CA -0.806 61.255 62.100 -0.064 0.000 1.009 606 T CB 1.555 70.378 68.868 -0.075 0.000 1.118 606 T HN 0.217 nan 8.240 nan 0.000 0.497 607 V N -0.146 119.760 119.914 -0.013 0.000 3.204 607 V HA 0.912 5.022 4.120 -0.017 0.000 0.298 607 V C -0.244 175.823 176.094 -0.045 0.000 1.328 607 V CA 0.503 62.871 62.300 0.112 0.000 1.035 607 V CB 1.782 33.728 31.823 0.205 0.000 1.095 607 V HN 1.672 nan 8.190 nan 0.000 0.442 608 G N 2.358 111.003 108.800 -0.258 0.000 2.364 608 G HA2 0.685 4.635 3.960 -0.017 0.000 0.286 608 G HA3 0.685 4.635 3.960 -0.017 0.000 0.286 608 G C -1.533 172.814 174.900 -0.923 0.000 1.241 608 G CA 0.184 44.923 45.100 -0.601 0.000 0.887 608 G HN 1.925 nan 8.290 nan 0.000 0.484 609 F N -1.031 118.547 119.950 -0.620 0.000 2.773 609 F HA 0.861 5.378 4.527 -0.017 0.000 0.314 609 F C -0.999 174.776 175.800 -0.041 0.000 1.160 609 F CA -1.060 56.754 58.000 -0.310 0.000 0.920 609 F CB 1.508 40.356 39.000 -0.254 0.000 1.323 609 F HN 0.823 nan 8.300 nan 0.000 0.457 610 K N 0.988 121.548 120.400 0.268 0.000 2.509 610 K HA 0.859 5.169 4.320 -0.017 0.000 0.266 610 K C -2.369 174.479 176.600 0.413 0.000 0.987 610 K CA -1.065 55.368 56.287 0.244 0.000 0.868 610 K CB 2.676 35.277 32.500 0.169 0.000 1.421 610 K HN 0.710 nan 8.250 nan 0.000 0.444 611 L N 1.305 122.767 121.223 0.399 0.000 2.385 611 L HA 0.566 4.896 4.340 -0.017 0.000 0.273 611 L C -0.604 176.548 176.870 0.470 0.000 0.990 611 L CA -0.582 54.527 54.840 0.448 0.000 0.821 611 L CB 2.020 44.355 42.059 0.458 0.000 1.279 611 L HN 0.575 nan 8.230 nan 0.000 0.412 612 R N 3.029 123.739 120.500 0.350 0.000 2.637 612 R HA 0.557 4.888 4.340 -0.017 0.000 0.291 612 R C -2.555 173.536 176.300 -0.349 0.000 0.963 612 R CA -1.912 54.259 56.100 0.118 0.000 0.901 612 R CB 1.610 31.984 30.300 0.123 0.000 1.160 612 R HN 0.313 nan 8.270 nan 0.000 0.457 613 P HA -0.058 nan 4.420 nan 0.000 0.266 613 P C -0.700 176.391 177.300 -0.348 0.000 1.195 613 P CA 0.222 62.712 63.100 -1.016 0.000 0.768 613 P CB 0.768 32.183 31.700 -0.475 0.000 0.838 614 E N 2.201 122.254 120.200 -0.245 0.000 2.873 614 E HA 0.431 4.771 4.350 -0.017 0.000 0.232 614 E C 0.702 177.297 176.600 -0.009 0.000 1.123 614 E CA -0.416 55.945 56.400 -0.064 0.000 0.809 614 E CB -0.650 29.033 29.700 -0.029 0.000 1.366 614 E HN 0.670 nan 8.360 nan 0.000 0.400 615 G N 3.120 111.926 108.800 0.010 0.000 2.160 615 G HA2 -0.366 3.584 3.960 -0.017 0.000 0.251 615 G HA3 -0.366 3.584 3.960 -0.017 0.000 0.251 615 G C 0.534 175.437 174.900 0.005 0.000 1.008 615 G CA 0.393 45.503 45.100 0.016 0.000 0.724 615 G HN 0.531 nan 8.290 nan 0.000 0.514 616 F N 0.043 119.872 119.950 -0.202 0.000 2.163 616 F HA 0.445 4.962 4.527 -0.016 0.000 0.297 616 F C 1.275 176.818 175.800 -0.428 0.000 1.094 616 F CA 0.710 58.496 58.000 -0.357 0.000 1.290 616 F CB 0.034 38.697 39.000 -0.560 0.000 1.017 616 F HN 0.101 nan 8.300 nan 0.000 0.483 617 F N 0.476 120.447 119.950 0.034 0.000 2.403 617 F HA 0.231 4.748 4.527 -0.017 0.000 0.326 617 F C 1.324 177.087 175.800 -0.062 0.000 1.081 617 F CA -0.825 57.145 58.000 -0.049 0.000 1.041 617 F CB 0.347 39.326 39.000 -0.035 0.000 1.234 617 F HN -0.262 nan 8.300 nan 0.000 0.503 618 D N 0.470 120.958 120.400 0.147 0.000 2.349 618 D HA 0.061 4.691 4.640 -0.017 0.000 0.224 618 D C 0.338 176.669 176.300 0.050 0.000 1.029 618 D CA 0.610 54.645 54.000 0.058 0.000 0.879 618 D CB 0.200 41.019 40.800 0.031 0.000 0.906 618 D HN 0.539 nan 8.370 nan 0.000 0.528 619 R N -2.544 117.998 120.500 0.071 0.000 2.979 619 R HA 0.165 4.495 4.340 -0.017 0.000 0.286 619 R C -0.716 175.586 176.300 0.004 0.000 0.972 619 R CA -0.765 55.350 56.100 0.025 0.000 0.828 619 R CB 0.185 30.486 30.300 0.003 0.000 1.368 619 R HN -0.164 nan 8.270 nan 0.000 0.511 620 S N 0.915 116.596 115.700 -0.032 0.000 2.563 620 S HA 0.089 4.549 4.470 -0.017 0.000 0.294 620 S C -1.286 173.215 174.600 -0.166 0.000 1.279 620 S CA -0.712 57.440 58.200 -0.079 0.000 1.069 620 S CB 0.426 63.596 63.200 -0.050 0.000 0.828 620 S HN 0.496 nan 8.310 nan 0.000 0.497 621 P HA 0.110 nan 4.420 nan 0.000 0.255 621 P C 0.497 177.684 177.300 -0.188 0.000 1.248 621 P CA 0.236 63.052 63.100 -0.473 0.000 0.807 621 P CB -0.195 30.750 31.700 -1.259 0.000 1.150 622 V N -4.059 115.799 119.914 -0.095 0.000 3.006 622 V HA 0.238 4.348 4.120 -0.017 0.000 0.357 622 V C 1.538 177.653 176.094 0.036 0.000 1.377 622 V CA -0.115 62.181 62.300 -0.008 0.000 1.198 622 V CB -0.786 31.058 31.823 0.034 0.000 1.216 622 V HN -0.124 nan 8.190 nan 0.000 0.520 623 L N 1.308 122.542 121.223 0.018 0.000 2.275 623 L HA -0.007 4.323 4.340 -0.017 0.000 0.215 623 L C 2.073 178.980 176.870 0.062 0.000 1.119 623 L CA 1.653 56.525 54.840 0.054 0.000 0.790 623 L CB -0.287 41.782 42.059 0.017 0.000 0.919 623 L HN 0.594 nan 8.230 nan 0.000 0.443 624 D N -0.971 119.446 120.400 0.027 0.000 2.339 624 D HA -0.002 4.628 4.640 -0.017 0.000 0.217 624 D C 0.637 176.942 176.300 0.009 0.000 1.050 624 D CA -0.036 53.974 54.000 0.017 0.000 0.856 624 D CB -0.263 40.536 40.800 -0.002 0.000 0.922 624 D HN -0.034 nan 8.370 nan 0.000 0.518 625 V N 3.209 123.134 119.914 0.018 0.000 2.521 625 V HA 0.177 4.287 4.120 -0.017 0.000 0.286 625 V C -1.629 174.463 176.094 -0.004 0.000 1.034 625 V CA -0.956 61.346 62.300 0.003 0.000 1.045 625 V CB 0.767 32.600 31.823 0.017 0.000 0.974 625 V HN 0.195 nan 8.190 nan 0.000 0.480 626 P HA 0.348 nan 4.420 nan 0.000 0.276 626 P C -0.510 176.755 177.300 -0.058 0.000 1.252 626 P CA -0.465 62.618 63.100 -0.028 0.000 0.802 626 P CB 0.991 32.679 31.700 -0.020 0.000 1.035 627 A N 0.905 123.680 122.820 -0.074 0.000 2.483 627 A HA 0.376 4.686 4.320 -0.017 0.000 0.238 627 A C 1.099 178.649 177.584 -0.057 0.000 1.070 627 A CA 0.316 52.295 52.037 -0.097 0.000 0.770 627 A CB -1.333 17.613 19.000 -0.090 0.000 1.008 627 A HN 0.849 nan 8.150 nan 0.000 0.497 628 N N 0.000 118.667 118.700 -0.054 0.000 1.763 628 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 628 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 628 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667