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 1iqx_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR 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 0.000 177.585 177.584 0.001 0.000 1.274 9 A CA 0.000 52.040 52.037 0.004 0.000 0.836 9 A CB 0.000 19.008 19.000 0.013 0.000 0.831 10 S N 2.266 117.976 115.700 0.017 0.000 2.533 10 S HA 0.386 4.845 4.470 -0.017 0.000 0.282 10 S C -1.227 173.372 174.600 -0.002 0.000 1.304 10 S CA -0.343 57.883 58.200 0.043 0.000 1.063 10 S CB 0.769 64.025 63.200 0.093 0.000 0.881 10 S HN 0.404 nan 8.310 nan 0.000 0.493 11 P HA 0.042 nan 4.420 nan 0.000 0.239 11 P C 0.134 177.111 177.300 -0.537 0.000 1.184 11 P CA 0.636 63.553 63.100 -0.306 0.000 0.760 11 P CB -0.167 31.294 31.700 -0.399 0.000 0.884 12 F N 0.304 120.185 119.950 -0.115 0.000 2.661 12 F HA 0.220 4.737 4.527 -0.017 0.000 0.306 12 F C 1.551 177.290 175.800 -0.103 0.000 1.094 12 F CA -0.740 57.149 58.000 -0.185 0.000 1.254 12 F CB -0.015 38.869 39.000 -0.193 0.000 1.040 12 F HN -0.166 nan 8.300 nan 0.000 0.562 13 R N 0.780 121.315 120.500 0.060 0.000 2.784 13 R HA 0.271 4.601 4.340 -0.017 0.000 0.266 13 R C -0.217 176.109 176.300 0.042 0.000 1.044 13 R CA -0.438 55.701 56.100 0.066 0.000 1.151 13 R CB 0.392 30.722 30.300 0.049 0.000 1.037 13 R HN 0.125 nan 8.270 nan 0.000 0.478 14 L N 1.459 122.721 121.223 0.064 0.000 2.467 14 L HA 0.172 4.502 4.340 -0.017 0.000 0.270 14 L C 0.720 177.630 176.870 0.067 0.000 1.205 14 L CA -0.269 54.610 54.840 0.066 0.000 0.828 14 L CB 0.621 42.722 42.059 0.070 0.000 1.101 14 L HN 0.849 nan 8.230 nan 0.000 0.479 15 A N 2.284 125.156 122.820 0.087 0.000 2.511 15 A HA 0.332 4.642 4.320 -0.017 0.000 0.242 15 A C 0.388 178.044 177.584 0.120 0.000 1.069 15 A CA -0.104 52.034 52.037 0.167 0.000 0.763 15 A CB 0.021 19.180 19.000 0.264 0.000 1.001 15 A HN 0.752 nan 8.150 nan 0.000 0.498 16 S N 1.686 117.451 115.700 0.108 0.000 2.687 16 S HA 0.616 5.076 4.470 -0.017 0.000 0.283 16 S C 1.221 175.837 174.600 0.028 0.000 1.170 16 S CA -0.186 58.046 58.200 0.054 0.000 1.008 16 S CB 1.497 64.721 63.200 0.040 0.000 1.026 16 S HN 1.611 nan 8.310 nan 0.000 0.541 17 A N 1.738 124.563 122.820 0.009 0.000 1.908 17 A HA 0.084 4.394 4.320 -0.017 0.000 0.218 17 A C 2.161 179.727 177.584 -0.031 0.000 1.181 17 A CA 1.955 53.987 52.037 -0.009 0.000 0.627 17 A CB -1.864 17.132 19.000 -0.006 0.000 0.818 17 A HN 1.216 nan 8.150 nan 0.000 0.445 18 G N -0.598 108.187 108.800 -0.025 0.000 2.422 18 G HA2 -0.221 3.729 3.960 -0.017 0.000 0.218 18 G HA3 -0.221 3.729 3.960 -0.017 0.000 0.218 18 G C 1.422 176.274 174.900 -0.081 0.000 1.146 18 G CA 1.000 46.075 45.100 -0.041 0.000 0.769 18 G HN 0.678 nan 8.290 nan 0.000 0.547 19 E N -0.059 120.090 120.200 -0.086 0.000 2.106 19 E HA -0.049 4.291 4.350 -0.017 0.000 0.192 19 E C 2.494 178.852 176.600 -0.404 0.000 0.984 19 E CA 0.526 56.805 56.400 -0.202 0.000 0.806 19 E CB -0.118 29.536 29.700 -0.076 0.000 0.750 19 E HN 0.494 nan 8.360 nan 0.000 0.458 20 I N 0.835 121.236 120.570 -0.281 0.000 2.202 20 I HA -0.244 3.915 4.170 -0.017 0.000 0.242 20 I C 2.370 178.369 176.117 -0.197 0.000 1.091 20 I CA 0.817 61.955 61.300 -0.271 0.000 1.368 20 I CB -0.141 37.788 38.000 -0.119 0.000 1.058 20 I HN -0.016 nan 8.210 nan 0.000 0.410 21 S N 0.117 115.739 115.700 -0.129 0.000 2.382 21 S HA -0.225 4.235 4.470 -0.017 0.000 0.228 21 S C 1.901 176.436 174.600 -0.108 0.000 1.027 21 S CA 1.404 59.550 58.200 -0.090 0.000 0.991 21 S CB -0.235 62.929 63.200 -0.060 0.000 0.823 21 S HN 0.373 nan 8.310 nan 0.000 0.469 22 E N 1.127 121.241 120.200 -0.144 0.000 2.106 22 E HA -0.055 4.284 4.350 -0.017 0.000 0.192 22 E C 1.868 178.370 176.600 -0.163 0.000 0.984 22 E CA 0.693 57.011 56.400 -0.137 0.000 0.806 22 E CB -0.261 29.360 29.700 -0.132 0.000 0.750 22 E HN 0.258 nan 8.360 nan 0.000 0.458 23 V N 0.822 120.580 119.914 -0.260 0.000 2.343 23 V HA -0.271 3.839 4.120 -0.017 0.000 0.247 23 V C 2.545 178.562 176.094 -0.128 0.000 1.051 23 V CA 2.178 64.332 62.300 -0.243 0.000 1.036 23 V CB -0.612 30.976 31.823 -0.392 0.000 0.654 23 V HN 0.401 nan 8.190 nan 0.000 0.451 24 Q N 0.287 120.020 119.800 -0.111 0.000 2.030 24 Q HA -0.188 4.141 4.340 -0.017 0.000 0.204 24 Q C 2.274 178.250 176.000 -0.040 0.000 0.986 24 Q CA 2.257 58.028 55.803 -0.053 0.000 0.843 24 Q CB -0.571 28.145 28.738 -0.036 0.000 0.904 24 Q HN 0.621 nan 8.270 nan 0.000 0.420 25 G N 1.045 109.815 108.800 -0.050 0.000 2.440 25 G HA2 -0.251 3.699 3.960 -0.017 0.000 0.218 25 G HA3 -0.251 3.699 3.960 -0.017 0.000 0.218 25 G C 1.410 176.290 174.900 -0.033 0.000 1.154 25 G CA 1.055 46.133 45.100 -0.038 0.000 0.767 25 G HN 0.400 nan 8.290 nan 0.000 0.552 26 I N 0.250 120.794 120.570 -0.043 0.000 2.252 26 I HA -0.105 4.055 4.170 -0.017 0.000 0.245 26 I C 2.683 178.790 176.117 -0.017 0.000 1.102 26 I CA 0.596 61.878 61.300 -0.030 0.000 1.385 26 I CB -0.159 37.818 38.000 -0.037 0.000 1.064 26 I HN 0.130 nan 8.210 nan 0.000 0.414 27 L N 0.002 121.215 121.223 -0.017 0.000 2.056 27 L HA -0.169 4.161 4.340 -0.017 0.000 0.207 27 L C 2.772 179.643 176.870 0.002 0.000 1.078 27 L CA 1.297 56.137 54.840 -0.000 0.000 0.749 27 L CB -0.528 41.535 42.059 0.005 0.000 0.901 27 L HN 0.139 nan 8.230 nan 0.000 0.433 28 R N -0.551 119.948 120.500 -0.002 0.000 2.070 28 R HA -0.143 4.186 4.340 -0.017 0.000 0.233 28 R C 2.293 178.591 176.300 -0.003 0.000 1.137 28 R CA 2.013 58.113 56.100 -0.001 0.000 0.945 28 R CB -0.710 29.588 30.300 -0.004 0.000 0.845 28 R HN 0.274 nan 8.270 nan 0.000 0.430 29 T N 0.649 115.199 114.554 -0.007 0.000 2.778 29 T HA -0.171 4.169 4.350 -0.017 0.000 0.269 29 T C 1.638 176.335 174.700 -0.003 0.000 1.050 29 T CA 1.511 63.607 62.100 -0.007 0.000 1.137 29 T CB -0.154 68.708 68.868 -0.010 0.000 0.860 29 T HN 0.391 nan 8.240 nan 0.000 0.468 30 A N 0.117 122.936 122.820 -0.001 0.000 2.238 30 A HA 0.515 4.825 4.320 -0.017 0.000 0.208 30 A C 1.880 179.466 177.584 0.004 0.000 1.177 30 A CA 0.782 52.820 52.037 0.003 0.000 0.804 30 A CB -0.672 18.332 19.000 0.006 0.000 0.823 30 A HN 0.724 nan 8.150 nan 0.000 0.482 31 G N -1.178 107.623 108.800 0.003 0.000 2.143 31 G HA2 -0.246 3.704 3.960 -0.017 0.000 0.248 31 G HA3 -0.246 3.704 3.960 -0.017 0.000 0.248 31 G C 0.582 175.485 174.900 0.006 0.000 0.991 31 G CA 0.541 45.642 45.100 0.002 0.000 0.689 31 G HN 0.494 nan 8.290 nan 0.000 0.522 32 L N -1.364 119.865 121.223 0.011 0.000 2.585 32 L HA 0.456 4.785 4.340 -0.017 0.000 0.226 32 L C 1.203 178.087 176.870 0.022 0.000 1.113 32 L CA 0.182 55.032 54.840 0.017 0.000 0.876 32 L CB 0.508 42.581 42.059 0.025 0.000 1.072 32 L HN 0.200 nan 8.230 nan 0.000 0.468 33 L N 0.478 121.713 121.223 0.021 0.000 2.732 33 L HA 0.480 4.810 4.340 -0.017 0.000 0.246 33 L C 0.673 177.561 176.870 0.030 0.000 1.407 33 L CA -0.209 54.650 54.840 0.031 0.000 0.861 33 L CB 0.440 42.520 42.059 0.035 0.000 1.161 33 L HN -0.063 nan 8.230 nan 0.000 0.510 34 G N 0.561 109.373 108.800 0.021 0.000 2.570 34 G HA2 0.269 4.218 3.960 -0.017 0.000 0.276 34 G HA3 0.269 4.218 3.960 -0.017 0.000 0.276 34 G C -1.642 173.275 174.900 0.028 0.000 1.346 34 G CA -0.638 44.470 45.100 0.015 0.000 1.034 34 G HN 0.371 nan 8.290 nan 0.000 0.512 35 P HA -0.026 nan 4.420 nan 0.000 0.219 35 P C 1.338 178.667 177.300 0.048 0.000 1.146 35 P CA 0.889 64.001 63.100 0.020 0.000 0.808 35 P CB 0.298 31.995 31.700 -0.005 0.000 0.779 36 E N -0.791 119.424 120.200 0.025 0.000 2.489 36 E HA 0.041 4.381 4.350 -0.017 0.000 0.193 36 E C 0.313 176.909 176.600 -0.006 0.000 1.057 36 E CA 0.556 56.961 56.400 0.008 0.000 0.866 36 E CB -0.027 29.657 29.700 -0.027 0.000 0.916 36 E HN 0.306 nan 8.360 nan 0.000 0.500 37 K N 1.498 121.917 120.400 0.032 0.000 2.118 37 K HA 0.345 4.655 4.320 -0.017 0.000 0.267 37 K C 0.387 177.036 176.600 0.081 0.000 0.991 37 K CA -0.445 55.859 56.287 0.028 0.000 0.916 37 K CB 1.443 33.966 32.500 0.038 0.000 1.041 37 K HN -0.168 nan 8.250 nan 0.000 0.455 38 R N 1.780 122.314 120.500 0.056 0.000 2.673 38 R HA 0.428 4.758 4.340 -0.017 0.000 0.281 38 R C -0.295 176.031 176.300 0.044 0.000 0.991 38 R CA -0.893 55.219 56.100 0.020 0.000 0.896 38 R CB 1.301 31.626 30.300 0.042 0.000 1.201 38 R HN 0.471 nan 8.270 nan 0.000 0.457 39 I N 2.716 123.274 120.570 -0.021 0.000 2.308 39 I HA 0.118 4.277 4.170 -0.017 0.000 0.293 39 I C 1.390 177.516 176.117 0.015 0.000 1.078 39 I CA 0.107 61.413 61.300 0.011 0.000 1.292 39 I CB 0.598 38.575 38.000 -0.039 0.000 1.423 39 I HN 0.708 nan 8.210 nan 0.000 0.493 40 A N 6.680 129.567 122.820 0.110 0.000 2.072 40 A HA -0.028 4.282 4.320 -0.017 0.000 0.216 40 A C 0.487 178.181 177.584 0.183 0.000 1.156 40 A CA 0.769 52.880 52.037 0.124 0.000 0.701 40 A CB 0.141 19.245 19.000 0.173 0.000 0.816 40 A HN 0.658 nan 8.150 nan 0.000 0.458 41 Y N -1.798 118.521 120.300 0.031 0.000 2.436 41 Y HA 0.562 5.101 4.550 -0.017 0.000 0.327 41 Y C -1.754 174.037 175.900 -0.182 0.000 1.138 41 Y CA -1.114 56.905 58.100 -0.134 0.000 1.042 41 Y CB 1.219 39.467 38.460 -0.353 0.000 1.302 41 Y HN 0.119 nan 8.280 nan 0.000 0.439 42 L N 5.932 126.497 121.223 -1.097 0.000 2.470 42 L HA 0.995 5.324 4.340 -0.017 0.000 0.268 42 L C -1.060 175.285 176.870 -0.874 0.000 0.964 42 L CA -0.280 54.114 54.840 -0.742 0.000 0.839 42 L CB 1.888 43.782 42.059 -0.275 0.000 1.276 42 L HN 0.906 nan 8.230 nan 0.000 0.403 43 G N 2.979 111.431 108.800 -0.580 0.000 2.718 43 G HA2 0.474 4.424 3.960 -0.017 0.000 0.295 43 G HA3 0.474 4.424 3.960 -0.017 0.000 0.295 43 G C -1.957 172.786 174.900 -0.261 0.000 1.421 43 G CA -0.570 44.346 45.100 -0.308 0.000 0.902 43 G HN 0.458 nan 8.290 nan 0.000 0.501 44 V N 1.798 121.421 119.914 -0.485 0.000 2.649 44 V HA 0.543 4.653 4.120 -0.017 0.000 0.292 44 V C 0.225 176.067 176.094 -0.420 0.000 1.055 44 V CA -0.516 61.246 62.300 -0.897 0.000 1.023 44 V CB 0.796 32.019 31.823 -0.999 0.000 0.992 44 V HN 0.560 nan 8.190 nan 0.000 0.480 45 L N 5.320 126.318 121.223 -0.375 0.000 2.357 45 L HA 0.459 4.789 4.340 -0.017 0.000 0.273 45 L C 0.062 176.799 176.870 -0.222 0.000 1.080 45 L CA -0.749 53.971 54.840 -0.201 0.000 0.803 45 L CB 1.002 42.982 42.059 -0.132 0.000 1.174 45 L HN 0.581 nan 8.230 nan 0.000 0.443 46 D N 2.260 122.575 120.400 -0.143 0.000 2.372 46 D HA 0.210 4.839 4.640 -0.017 0.000 0.243 46 D C -2.030 174.150 176.300 -0.200 0.000 1.121 46 D CA -0.861 53.035 54.000 -0.173 0.000 0.898 46 D CB 0.599 41.410 40.800 0.017 0.000 1.202 46 D HN 0.245 nan 8.370 nan 0.000 0.428 47 P HA 0.122 nan 4.420 nan 0.000 0.267 47 P C -0.655 176.585 177.300 -0.100 0.000 1.200 47 P CA -0.136 62.813 63.100 -0.251 0.000 0.772 47 P CB 0.479 31.953 31.700 -0.378 0.000 0.855 48 A N 3.265 126.044 122.820 -0.068 0.000 2.448 48 A HA 0.164 4.473 4.320 -0.017 0.000 0.239 48 A C 0.450 178.017 177.584 -0.029 0.000 1.080 48 A CA -0.162 51.858 52.037 -0.028 0.000 0.779 48 A CB 0.053 19.038 19.000 -0.024 0.000 1.026 48 A HN 0.383 nan 8.150 nan 0.000 0.499 49 R N 0.349 120.822 120.500 -0.045 0.000 2.449 49 R HA 0.355 4.684 4.340 -0.017 0.000 0.296 49 R C 0.777 177.047 176.300 -0.051 0.000 1.047 49 R CA 1.148 57.183 56.100 -0.108 0.000 1.018 49 R CB -0.468 29.712 30.300 -0.200 0.000 0.962 49 R HN 1.799 nan 8.270 nan 0.000 0.428 50 G N 2.089 110.879 108.800 -0.016 0.000 2.905 50 G HA2 -0.189 3.760 3.960 -0.017 0.000 0.245 50 G HA3 -0.189 3.760 3.960 -0.017 0.000 0.245 50 G C 0.263 175.170 174.900 0.011 0.000 1.004 50 G CA -0.126 44.980 45.100 0.010 0.000 1.089 50 G HN 0.760 nan 8.290 nan 0.000 0.456 51 A N 1.507 124.342 122.820 0.026 0.000 2.900 51 A HA 0.581 4.891 4.320 -0.017 0.000 0.246 51 A C 1.989 179.579 177.584 0.010 0.000 1.725 51 A CA 1.357 53.403 52.037 0.014 0.000 1.400 51 A CB -0.400 18.616 19.000 0.026 0.000 0.973 51 A HN 1.995 nan 8.150 nan 0.000 0.635 52 G N 0.100 108.904 108.800 0.007 0.000 2.572 52 G HA2 0.092 4.042 3.960 -0.017 0.000 0.216 52 G HA3 0.092 4.042 3.960 -0.017 0.000 0.216 52 G C 0.903 175.803 174.900 0.001 0.000 1.133 52 G CA 0.644 45.747 45.100 0.006 0.000 0.791 52 G HN 0.760 nan 8.290 nan 0.000 0.538 53 S N 0.222 115.920 115.700 -0.004 0.000 2.531 53 S HA 0.269 4.729 4.470 -0.017 0.000 0.279 53 S C -0.008 174.587 174.600 -0.007 0.000 1.305 53 S CA -0.634 57.562 58.200 -0.007 0.000 1.058 53 S CB 1.896 65.088 63.200 -0.013 0.000 0.899 53 S HN 0.389 nan 8.310 nan 0.000 0.493 54 E N 2.279 122.476 120.200 -0.006 0.000 2.376 54 E HA 0.408 4.747 4.350 -0.017 0.000 0.266 54 E C 0.595 177.190 176.600 -0.009 0.000 1.009 54 E CA 0.364 56.760 56.400 -0.006 0.000 0.902 54 E CB 0.248 29.946 29.700 -0.004 0.000 0.972 54 E HN 1.144 nan 8.360 nan 0.000 0.439 55 A N 3.484 126.298 122.820 -0.010 0.000 6.643 55 A HA -0.260 4.049 4.320 -0.017 0.000 0.230 55 A C -0.232 177.338 177.584 -0.024 0.000 2.273 55 A CA 0.852 52.880 52.037 -0.014 0.000 0.690 55 A CB -0.944 18.049 19.000 -0.011 0.000 0.908 55 A HN 0.832 nan 8.150 nan 0.000 0.366 56 E N 0.245 120.429 120.200 -0.027 0.000 2.301 56 E HA 0.587 4.926 4.350 -0.017 0.000 0.275 56 E C -0.632 175.948 176.600 -0.034 0.000 1.030 56 E CA -0.003 56.372 56.400 -0.042 0.000 0.852 56 E CB 1.378 31.052 29.700 -0.042 0.000 1.060 56 E HN 0.590 nan 8.360 nan 0.000 0.401 57 D N 2.521 122.892 120.400 -0.048 0.000 2.363 57 D HA 0.125 4.754 4.640 -0.017 0.000 0.258 57 D C -0.991 175.284 176.300 -0.042 0.000 1.259 57 D CA -0.671 53.310 54.000 -0.031 0.000 0.921 57 D CB 0.462 41.246 40.800 -0.027 0.000 1.201 57 D HN 0.260 nan 8.370 nan 0.000 0.524 58 R N 2.998 123.492 120.500 -0.011 0.000 2.291 58 R HA 0.310 4.639 4.340 -0.017 0.000 0.333 58 R C 0.232 176.583 176.300 0.085 0.000 1.082 58 R CA -0.115 55.986 56.100 0.002 0.000 0.948 58 R CB 0.448 30.802 30.300 0.091 0.000 1.009 58 R HN 0.329 nan 8.270 nan 0.000 0.460 59 R N 2.453 122.943 120.500 -0.017 0.000 2.532 59 R HA 0.447 4.777 4.340 -0.017 0.000 0.295 59 R C -0.628 175.655 176.300 -0.028 0.000 0.968 59 R CA -0.553 55.579 56.100 0.054 0.000 0.916 59 R CB 1.257 31.555 30.300 -0.002 0.000 1.124 59 R HN 0.232 nan 8.270 nan 0.000 0.463 60 F N 0.987 120.918 119.950 -0.032 0.000 2.520 60 F HA 0.445 4.962 4.527 -0.017 0.000 0.322 60 F C 0.424 176.215 175.800 -0.014 0.000 1.103 60 F CA -0.782 57.194 58.000 -0.039 0.000 0.926 60 F CB 1.795 40.761 39.000 -0.056 0.000 1.154 60 F HN 0.201 nan 8.300 nan 0.000 0.453 61 R N 2.159 122.735 120.500 0.125 0.000 2.474 61 R HA 0.860 5.190 4.340 -0.017 0.000 0.295 61 R C -1.765 174.594 176.300 0.097 0.000 0.980 61 R CA -0.511 55.668 56.100 0.133 0.000 0.934 61 R CB 1.441 31.822 30.300 0.134 0.000 1.101 61 R HN 0.558 nan 8.270 nan 0.000 0.469 62 V N 4.479 124.481 119.914 0.147 0.000 2.841 62 V HA 0.494 4.604 4.120 -0.017 0.000 0.310 62 V C -1.212 175.120 176.094 0.396 0.000 1.090 62 V CA -0.805 61.573 62.300 0.130 0.000 0.930 62 V CB 2.031 33.916 31.823 0.103 0.000 1.014 62 V HN 0.573 nan 8.190 nan 0.000 0.425 63 F N 4.015 124.117 119.950 0.255 0.000 2.402 63 F HA 0.625 5.142 4.527 -0.017 0.000 0.355 63 F C 0.089 175.977 175.800 0.147 0.000 1.123 63 F CA -1.673 56.469 58.000 0.236 0.000 1.021 63 F CB 1.350 40.535 39.000 0.310 0.000 1.160 63 F HN 0.200 nan 8.300 nan 0.000 0.451 64 I N 3.939 124.680 120.570 0.285 0.000 2.339 64 I HA 0.221 4.381 4.170 -0.017 0.000 0.290 64 I C -0.288 175.921 176.117 0.153 0.000 0.994 64 I CA -0.739 60.666 61.300 0.175 0.000 1.191 64 I CB 1.447 39.516 38.000 0.114 0.000 1.343 64 I HN 0.516 nan 8.210 nan 0.000 0.458 65 H N 5.802 124.897 119.070 0.040 0.000 2.483 65 H HA 0.344 4.889 4.556 -0.017 0.000 0.338 65 H C -1.165 174.164 175.328 0.002 0.000 1.152 65 H CA -0.386 55.664 56.048 0.004 0.000 1.264 65 H CB 1.491 31.250 29.762 -0.004 0.000 1.510 65 H HN 0.502 nan 8.280 nan 0.000 0.530 66 D N 4.192 124.197 120.400 -0.658 0.000 2.471 66 D HA 0.079 4.709 4.640 -0.017 0.000 0.245 66 D C 1.165 177.046 176.300 -0.698 0.000 1.116 66 D CA -0.440 53.265 54.000 -0.491 0.000 0.853 66 D CB 1.431 42.093 40.800 -0.229 0.000 1.123 66 D HN 0.504 nan 8.370 nan 0.000 0.540 67 V N 2.237 121.880 119.914 -0.451 0.000 3.078 67 V HA -0.114 3.996 4.120 -0.017 0.000 0.265 67 V C 1.693 177.723 176.094 -0.106 0.000 1.122 67 V CA 1.867 64.039 62.300 -0.214 0.000 1.141 67 V CB -0.740 31.065 31.823 -0.031 0.000 0.735 67 V HN 0.496 nan 8.190 nan 0.000 0.498 68 S N -0.183 115.449 115.700 -0.113 0.000 2.558 68 S HA 0.422 4.881 4.470 -0.017 0.000 0.217 68 S C 1.696 176.261 174.600 -0.059 0.000 0.975 68 S CA 0.792 58.955 58.200 -0.062 0.000 0.912 68 S CB 0.245 63.416 63.200 -0.049 0.000 0.776 68 S HN 1.800 nan 8.310 nan 0.000 0.526 69 G N 0.416 109.163 108.800 -0.089 0.000 2.179 69 G HA2 -0.021 3.928 3.960 -0.017 0.000 0.220 69 G HA3 -0.021 3.928 3.960 -0.017 0.000 0.220 69 G C 0.289 175.154 174.900 -0.059 0.000 0.990 69 G CA -0.114 44.953 45.100 -0.055 0.000 0.646 69 G HN 1.161 nan 8.290 nan 0.000 0.517 70 A N 0.275 123.048 122.820 -0.077 0.000 2.346 70 A HA 0.694 5.003 4.320 -0.017 0.000 0.252 70 A C 0.928 178.471 177.584 -0.068 0.000 1.089 70 A CA -0.032 51.967 52.037 -0.064 0.000 0.797 70 A CB 0.266 19.229 19.000 -0.062 0.000 1.047 70 A HN 0.506 nan 8.150 nan 0.000 0.494 71 R N 0.995 121.460 120.500 -0.059 0.000 2.537 71 R HA 0.215 4.545 4.340 -0.017 0.000 0.280 71 R C -2.243 174.016 176.300 -0.068 0.000 1.058 71 R CA -1.013 55.047 56.100 -0.067 0.000 1.057 71 R CB -0.032 30.227 30.300 -0.068 0.000 0.973 71 R HN 0.582 nan 8.270 nan 0.000 0.438 72 P HA 0.080 nan 4.420 nan 0.000 0.277 72 P C -1.005 176.252 177.300 -0.072 0.000 1.271 72 P CA -0.312 62.755 63.100 -0.057 0.000 0.795 72 P CB 0.913 32.579 31.700 -0.055 0.000 1.101 73 Q N -0.734 119.054 119.800 -0.020 0.000 2.421 73 Q HA 0.379 4.708 4.340 -0.017 0.000 0.280 73 Q C -0.826 175.226 176.000 0.086 0.000 1.085 73 Q CA -0.716 55.090 55.803 0.005 0.000 0.807 73 Q CB 2.654 31.409 28.738 0.028 0.000 1.405 73 Q HN 0.458 nan 8.270 nan 0.000 0.419 74 E N 1.698 121.964 120.200 0.109 0.000 2.151 74 E HA 0.496 4.835 4.350 -0.017 0.000 0.275 74 E C -1.504 175.226 176.600 0.217 0.000 0.936 74 E CA -0.541 56.022 56.400 0.271 0.000 0.777 74 E CB 1.342 31.209 29.700 0.278 0.000 1.108 74 E HN 0.311 nan 8.360 nan 0.000 0.401 75 V N 3.356 123.417 119.914 0.245 0.000 2.709 75 V HA 0.394 4.503 4.120 -0.017 0.000 0.308 75 V C -0.387 175.802 176.094 0.158 0.000 1.062 75 V CA -0.792 61.605 62.300 0.161 0.000 0.901 75 V CB 2.290 34.186 31.823 0.122 0.000 1.003 75 V HN 0.727 nan 8.190 nan 0.000 0.425 76 T N 3.723 118.348 114.554 0.119 0.000 2.807 76 T HA 0.665 5.004 4.350 -0.017 0.000 0.279 76 T C -0.465 174.288 174.700 0.089 0.000 0.993 76 T CA -0.419 61.746 62.100 0.108 0.000 0.970 76 T CB 1.569 70.488 68.868 0.086 0.000 0.950 76 T HN 0.825 nan 8.240 nan 0.000 0.441 77 V N 0.837 120.813 119.914 0.104 0.000 2.864 77 V HA 0.897 5.006 4.120 -0.017 0.000 0.314 77 V C -0.122 176.031 176.094 0.099 0.000 1.073 77 V CA -0.897 61.451 62.300 0.079 0.000 0.956 77 V CB 2.139 33.992 31.823 0.050 0.000 1.023 77 V HN 0.766 nan 8.190 nan 0.000 0.435 78 S N 2.498 118.237 115.700 0.065 0.000 2.434 78 S HA 0.321 4.781 4.470 -0.017 0.000 0.318 78 S C 0.588 175.220 174.600 0.054 0.000 1.062 78 S CA 0.099 58.339 58.200 0.067 0.000 1.116 78 S CB 0.926 64.147 63.200 0.036 0.000 0.977 78 S HN 1.211 nan 8.310 nan 0.000 0.480 79 V N 5.407 125.372 119.914 0.086 0.000 2.626 79 V HA -0.087 4.022 4.120 -0.017 0.000 0.252 79 V C 2.104 178.206 176.094 0.014 0.000 1.067 79 V CA 2.680 64.987 62.300 0.012 0.000 1.081 79 V CB -0.805 30.989 31.823 -0.047 0.000 0.686 79 V HN 0.989 nan 8.190 nan 0.000 0.468 80 T N 0.997 115.573 114.554 0.037 0.000 2.708 80 T HA -0.127 4.213 4.350 -0.017 0.000 0.266 80 T C 1.537 176.241 174.700 0.007 0.000 1.037 80 T CA 1.813 63.924 62.100 0.018 0.000 1.146 80 T CB -0.320 68.557 68.868 0.015 0.000 0.865 80 T HN 0.518 nan 8.240 nan 0.000 0.435 81 N N 0.429 119.134 118.700 0.009 0.000 2.336 81 N HA 0.161 4.890 4.740 -0.017 0.000 0.189 81 N C 1.279 176.789 175.510 0.000 0.000 1.113 81 N CA 0.594 53.646 53.050 0.004 0.000 0.858 81 N CB 0.270 38.761 38.487 0.005 0.000 0.970 81 N HN 0.532 nan 8.380 nan 0.000 0.471 82 G N 1.608 110.407 108.800 -0.003 0.000 2.273 82 G HA2 -0.276 3.674 3.960 -0.017 0.000 0.280 82 G HA3 -0.276 3.674 3.960 -0.017 0.000 0.280 82 G C 0.189 175.087 174.900 -0.004 0.000 1.047 82 G CA 1.059 46.154 45.100 -0.009 0.000 0.869 82 G HN 0.516 nan 8.290 nan 0.000 0.502 83 T N -3.833 110.723 114.554 0.004 0.000 2.916 83 T HA 0.714 5.054 4.350 -0.017 0.000 0.292 83 T C -0.362 174.348 174.700 0.016 0.000 1.064 83 T CA -0.667 61.438 62.100 0.008 0.000 1.011 83 T CB 2.827 71.701 68.868 0.010 0.000 1.152 83 T HN 0.728 nan 8.240 nan 0.000 0.510 84 V N 3.200 123.125 119.914 0.017 0.000 2.333 84 V HA 0.227 4.336 4.120 -0.017 0.000 0.274 84 V C 0.994 177.105 176.094 0.027 0.000 1.028 84 V CA -0.745 61.571 62.300 0.026 0.000 0.851 84 V CB 0.634 32.472 31.823 0.024 0.000 1.000 84 V HN 0.814 nan 8.190 nan 0.000 0.456 85 I N 3.256 123.847 120.570 0.035 0.000 2.286 85 I HA -0.003 4.157 4.170 -0.017 0.000 0.245 85 I C 1.073 177.208 176.117 0.031 0.000 1.104 85 I CA 1.243 62.561 61.300 0.030 0.000 1.397 85 I CB -0.490 37.530 38.000 0.034 0.000 1.072 85 I HN 0.787 nan 8.210 nan 0.000 0.417 86 S N -0.601 115.124 115.700 0.042 0.000 2.552 86 S HA 0.805 5.264 4.470 -0.017 0.000 0.272 86 S C -0.972 173.661 174.600 0.055 0.000 1.150 86 S CA -0.511 57.715 58.200 0.042 0.000 0.849 86 S CB 2.410 65.636 63.200 0.043 0.000 1.113 86 S HN 0.329 nan 8.310 nan 0.000 0.458 87 A N 1.057 123.905 122.820 0.047 0.000 2.466 87 A HA 0.754 5.063 4.320 -0.017 0.000 0.284 87 A C -0.636 176.971 177.584 0.038 0.000 1.049 87 A CA -0.397 51.671 52.037 0.052 0.000 0.760 87 A CB 1.037 20.061 19.000 0.041 0.000 1.274 87 A HN 2.155 nan 8.150 nan 0.000 0.412 88 V N -0.092 119.846 119.914 0.041 0.000 2.656 88 V HA 0.754 4.863 4.120 -0.017 0.000 0.307 88 V C -0.359 175.732 176.094 -0.005 0.000 1.051 88 V CA -0.755 61.556 62.300 0.017 0.000 0.893 88 V CB 1.568 33.404 31.823 0.020 0.000 0.999 88 V HN 0.909 nan 8.190 nan 0.000 0.426 89 E N 2.982 123.167 120.200 -0.025 0.000 2.283 89 E HA 0.590 4.929 4.350 -0.017 0.000 0.278 89 E C -1.079 175.468 176.600 -0.088 0.000 1.027 89 E CA -0.571 55.798 56.400 -0.051 0.000 0.843 89 E CB 1.319 30.993 29.700 -0.043 0.000 1.062 89 E HN 0.758 nan 8.360 nan 0.000 0.401 90 L N 3.251 124.388 121.223 -0.144 0.000 2.322 90 L HA 0.308 4.637 4.340 -0.017 0.000 0.279 90 L C 0.045 176.797 176.870 -0.198 0.000 1.036 90 L CA -0.672 54.034 54.840 -0.224 0.000 0.807 90 L CB 1.231 43.037 42.059 -0.423 0.000 1.226 90 L HN 0.492 nan 8.230 nan 0.000 0.433 91 D N 1.324 121.614 120.400 -0.183 0.000 2.485 91 D HA 0.051 4.681 4.640 -0.017 0.000 0.221 91 D C 1.274 177.465 176.300 -0.181 0.000 1.112 91 D CA -0.185 53.730 54.000 -0.142 0.000 0.911 91 D CB 1.267 42.009 40.800 -0.097 0.000 1.019 91 D HN 0.719 nan 8.370 nan 0.000 0.516 92 T N 0.665 115.099 114.554 -0.200 0.000 2.803 92 T HA -0.175 4.165 4.350 -0.017 0.000 0.269 92 T C 1.841 176.460 174.700 -0.134 0.000 1.052 92 T CA 1.100 63.068 62.100 -0.220 0.000 1.136 92 T CB -0.059 68.690 68.868 -0.198 0.000 0.864 92 T HN 0.256 nan 8.240 nan 0.000 0.467 93 A N 1.305 124.073 122.820 -0.086 0.000 2.015 93 A HA 0.427 4.736 4.320 -0.017 0.000 0.219 93 A C 2.669 180.242 177.584 -0.019 0.000 1.163 93 A CA 1.634 53.645 52.037 -0.043 0.000 0.646 93 A CB -1.078 17.901 19.000 -0.036 0.000 0.806 93 A HN 0.770 nan 8.150 nan 0.000 0.448 94 A N -0.713 122.083 122.820 -0.041 0.000 1.862 94 A HA 0.087 4.397 4.320 -0.017 0.000 0.211 94 A C 2.294 179.880 177.584 0.003 0.000 1.220 94 A CA 1.904 53.935 52.037 -0.010 0.000 0.616 94 A CB -0.968 18.012 19.000 -0.033 0.000 0.878 94 A HN 0.679 nan 8.150 nan 0.000 0.453 95 T N -3.470 111.000 114.554 -0.140 0.000 3.100 95 T HA 0.460 4.799 4.350 -0.017 0.000 0.253 95 T C 0.869 175.198 174.700 -0.618 0.000 1.118 95 T CA 0.922 62.837 62.100 -0.308 0.000 1.058 95 T CB -0.160 68.579 68.868 -0.216 0.000 0.953 95 T HN 1.935 nan 8.240 nan 0.000 0.515 96 G N 0.821 109.386 108.800 -0.392 0.000 2.576 96 G HA2 0.096 4.046 3.960 -0.017 0.000 0.686 96 G HA3 0.096 4.046 3.960 -0.017 0.000 0.686 96 G C -1.117 173.613 174.900 -0.284 0.000 1.242 96 G CA -1.057 43.880 45.100 -0.270 0.000 0.819 96 G HN 0.228 nan 8.290 nan 0.000 0.655 97 E N 0.145 120.252 120.200 -0.156 0.000 2.371 97 E HA 0.477 4.816 4.350 -0.017 0.000 0.257 97 E C 1.165 177.676 176.600 -0.149 0.000 1.134 97 E CA -0.457 55.840 56.400 -0.172 0.000 0.919 97 E CB 0.807 30.444 29.700 -0.104 0.000 1.025 97 E HN 0.502 nan 8.360 nan 0.000 0.438 98 L N 1.713 122.847 121.223 -0.148 0.000 2.466 98 L HA 0.217 4.546 4.340 -0.017 0.000 0.257 98 L C -1.922 174.944 176.870 -0.007 0.000 1.189 98 L CA -1.785 53.034 54.840 -0.034 0.000 0.813 98 L CB -0.160 41.891 42.059 -0.013 0.000 1.118 98 L HN 0.137 nan 8.230 nan 0.000 0.471 99 P HA -0.042 nan 4.420 nan 0.000 0.267 99 P C -0.622 176.650 177.300 -0.046 0.000 1.201 99 P CA -0.213 62.907 63.100 0.032 0.000 0.775 99 P CB 0.371 32.144 31.700 0.121 0.000 0.854 100 V N 3.601 123.466 119.914 -0.081 0.000 2.585 100 V HA -0.030 4.080 4.120 -0.017 0.000 0.296 100 V C 0.780 176.751 176.094 -0.204 0.000 1.035 100 V CA 0.260 62.465 62.300 -0.159 0.000 1.084 100 V CB -0.334 31.416 31.823 -0.121 0.000 0.953 100 V HN 0.322 nan 8.190 nan 0.000 0.483 101 L N 3.648 124.685 121.223 -0.309 0.000 2.350 101 L HA 0.259 4.589 4.340 -0.017 0.000 0.275 101 L C 1.625 178.205 176.870 -0.483 0.000 1.099 101 L CA 0.020 54.691 54.840 -0.281 0.000 0.808 101 L CB 0.824 42.746 42.059 -0.228 0.000 1.149 101 L HN 0.768 nan 8.230 nan 0.000 0.442 102 E N 2.016 122.066 120.200 -0.250 0.000 2.160 102 E HA -0.261 4.079 4.350 -0.017 0.000 0.195 102 E C 1.574 178.119 176.600 -0.091 0.000 0.991 102 E CA 1.769 58.101 56.400 -0.113 0.000 0.810 102 E CB 0.227 30.067 29.700 0.233 0.000 0.742 102 E HN 0.789 nan 8.360 nan 0.000 0.466 103 E N 0.094 120.242 120.200 -0.086 0.000 2.274 103 E HA -0.195 4.144 4.350 -0.017 0.000 0.194 103 E C 1.481 178.067 176.600 -0.024 0.000 0.996 103 E CA 1.007 57.401 56.400 -0.010 0.000 0.840 103 E CB -0.118 29.578 29.700 -0.005 0.000 0.772 103 E HN 0.371 nan 8.360 nan 0.000 0.491 104 E N -0.132 119.981 120.200 -0.144 0.000 2.427 104 E HA -0.047 4.292 4.350 -0.017 0.000 0.196 104 E C 1.238 177.851 176.600 0.022 0.000 1.028 104 E CA 0.223 56.569 56.400 -0.091 0.000 0.864 104 E CB -0.069 29.536 29.700 -0.159 0.000 0.813 104 E HN 0.230 nan 8.360 nan 0.000 0.514 105 F N 2.144 122.144 119.950 0.083 0.000 2.069 105 F HA -0.200 4.316 4.527 -0.017 0.000 0.298 105 F C 2.418 178.256 175.800 0.062 0.000 1.113 105 F CA 1.584 59.636 58.000 0.087 0.000 1.214 105 F CB -0.931 38.128 39.000 0.098 0.000 0.978 105 F HN 0.112 nan 8.300 nan 0.000 0.474 106 E N -0.064 120.292 120.200 0.260 0.000 2.265 106 E HA -0.126 4.213 4.350 -0.017 0.000 0.196 106 E C 2.076 178.733 176.600 0.096 0.000 0.996 106 E CA 1.350 57.840 56.400 0.151 0.000 0.832 106 E CB -0.817 28.958 29.700 0.126 0.000 0.756 106 E HN 0.252 nan 8.360 nan 0.000 0.491 107 V N 1.628 121.594 119.914 0.087 0.000 2.392 107 V HA -0.264 3.846 4.120 -0.017 0.000 0.249 107 V C 2.471 178.573 176.094 0.012 0.000 1.059 107 V CA 1.577 63.903 62.300 0.044 0.000 1.051 107 V CB -0.273 31.571 31.823 0.035 0.000 0.658 107 V HN 0.226 nan 8.190 nan 0.000 0.455 108 V N -0.147 119.782 119.914 0.024 0.000 2.295 108 V HA -0.319 3.791 4.120 -0.017 0.000 0.246 108 V C 2.407 178.434 176.094 -0.112 0.000 1.049 108 V CA 2.452 64.728 62.300 -0.039 0.000 1.024 108 V CB -0.635 31.190 31.823 0.004 0.000 0.648 108 V HN 0.653 nan 8.190 nan 0.000 0.447 109 E N -0.224 119.945 120.200 -0.052 0.000 2.072 109 E HA -0.261 4.079 4.350 -0.017 0.000 0.191 109 E C 2.313 178.875 176.600 -0.063 0.000 0.985 109 E CA 1.386 57.749 56.400 -0.062 0.000 0.801 109 E CB -0.064 29.647 29.700 0.018 0.000 0.750 109 E HN 0.700 nan 8.360 nan 0.000 0.452 110 Q N 0.263 120.048 119.800 -0.025 0.000 2.030 110 Q HA -0.181 4.149 4.340 -0.017 0.000 0.204 110 Q C 2.454 178.430 176.000 -0.039 0.000 0.986 110 Q CA 1.600 57.395 55.803 -0.012 0.000 0.843 110 Q CB -0.135 28.608 28.738 0.009 0.000 0.904 110 Q HN 0.356 nan 8.270 nan 0.000 0.420 111 L N 0.251 121.434 121.223 -0.067 0.000 2.046 111 L HA -0.195 4.134 4.340 -0.017 0.000 0.208 111 L C 2.344 179.135 176.870 -0.132 0.000 1.077 111 L CA 0.928 55.720 54.840 -0.081 0.000 0.747 111 L CB -0.438 41.572 42.059 -0.083 0.000 0.896 111 L HN 0.272 nan 8.230 nan 0.000 0.432 112 L N -0.239 120.826 121.223 -0.264 0.000 2.131 112 L HA -0.174 4.155 4.340 -0.017 0.000 0.210 112 L C 2.813 179.568 176.870 -0.193 0.000 1.092 112 L CA 0.899 55.453 54.840 -0.477 0.000 0.759 112 L CB -0.707 40.641 42.059 -1.184 0.000 0.903 112 L HN 0.240 nan 8.230 nan 0.000 0.435 113 A N -0.187 122.601 122.820 -0.054 0.000 2.076 113 A HA -0.191 4.119 4.320 -0.017 0.000 0.220 113 A C 2.098 179.742 177.584 0.099 0.000 1.160 113 A CA 2.127 54.220 52.037 0.094 0.000 0.653 113 A CB -0.695 18.344 19.000 0.065 0.000 0.801 113 A HN 0.523 nan 8.150 nan 0.000 0.455 114 T N -3.546 111.038 114.554 0.051 0.000 3.132 114 T HA 0.284 4.624 4.350 -0.017 0.000 0.274 114 T C -0.151 174.580 174.700 0.052 0.000 1.011 114 T CA 0.187 62.318 62.100 0.050 0.000 0.899 114 T CB -0.299 68.585 68.868 0.027 0.000 1.089 114 T HN 0.298 nan 8.240 nan 0.000 0.543 115 D N 1.901 122.342 120.400 0.068 0.000 2.264 115 D HA 0.175 4.805 4.640 -0.017 0.000 0.250 115 D C 1.434 177.807 176.300 0.122 0.000 1.113 115 D CA -0.483 53.560 54.000 0.072 0.000 0.871 115 D CB 1.263 42.092 40.800 0.049 0.000 1.167 115 D HN 0.461 nan 8.370 nan 0.000 0.447 116 E N 3.305 123.553 120.200 0.079 0.000 2.152 116 E HA -0.189 4.151 4.350 -0.017 0.000 0.192 116 E C 1.450 178.096 176.600 0.076 0.000 0.983 116 E CA 0.544 56.985 56.400 0.069 0.000 0.818 116 E CB 0.096 29.820 29.700 0.039 0.000 0.758 116 E HN 0.411 nan 8.360 nan 0.000 0.467 117 R N 0.127 120.679 120.500 0.087 0.000 2.075 117 R HA -0.072 4.258 4.340 -0.017 0.000 0.232 117 R C 2.140 178.521 176.300 0.134 0.000 1.126 117 R CA 1.702 57.851 56.100 0.081 0.000 0.963 117 R CB -0.463 29.879 30.300 0.070 0.000 0.858 117 R HN 0.430 nan 8.270 nan 0.000 0.435 118 W N 1.494 122.775 121.300 -0.032 0.000 2.379 118 W HA -0.147 4.503 4.660 -0.017 0.000 0.307 118 W C 1.502 178.008 176.519 -0.021 0.000 1.200 118 W CA 1.214 58.542 57.345 -0.029 0.000 1.297 118 W CB -0.161 29.285 29.460 -0.024 0.000 1.140 118 W HN 0.071 nan 8.180 nan 0.000 0.507 119 L N 0.860 122.173 121.223 0.151 0.000 2.079 119 L HA -0.272 4.057 4.340 -0.017 0.000 0.210 119 L C 2.623 179.461 176.870 -0.054 0.000 1.081 119 L CA 1.768 56.623 54.840 0.025 0.000 0.752 119 L CB -0.917 41.185 42.059 0.071 0.000 0.896 119 L HN -0.062 nan 8.230 nan 0.000 0.433 120 K N 0.262 120.643 120.400 -0.031 0.000 2.057 120 K HA -0.170 4.140 4.320 -0.017 0.000 0.206 120 K C 2.156 178.697 176.600 -0.099 0.000 1.050 120 K CA 1.241 57.498 56.287 -0.049 0.000 0.935 120 K CB -0.059 32.427 32.500 -0.023 0.000 0.715 120 K HN 0.270 nan 8.250 nan 0.000 0.439 121 A N 1.247 123.978 122.820 -0.148 0.000 1.902 121 A HA -0.102 4.207 4.320 -0.017 0.000 0.217 121 A C 2.074 179.493 177.584 -0.276 0.000 1.181 121 A CA 1.155 53.062 52.037 -0.216 0.000 0.623 121 A CB -0.516 18.311 19.000 -0.288 0.000 0.818 121 A HN 0.299 nan 8.150 nan 0.000 0.443 122 L N -0.947 120.063 121.223 -0.353 0.000 2.093 122 L HA -0.147 4.183 4.340 -0.017 0.000 0.208 122 L C 3.072 179.839 176.870 -0.171 0.000 1.085 122 L CA 0.988 55.643 54.840 -0.308 0.000 0.755 122 L CB -0.612 41.250 42.059 -0.329 0.000 0.904 122 L HN 0.438 nan 8.230 nan 0.000 0.435 123 A N 0.230 122.973 122.820 -0.128 0.000 1.972 123 A HA -0.128 4.182 4.320 -0.017 0.000 0.219 123 A C 2.468 180.006 177.584 -0.076 0.000 1.169 123 A CA 1.556 53.544 52.037 -0.082 0.000 0.635 123 A CB -0.547 18.419 19.000 -0.058 0.000 0.810 123 A HN 0.395 nan 8.150 nan 0.000 0.446 124 A N -0.590 122.177 122.820 -0.088 0.000 2.121 124 A HA -0.051 4.259 4.320 -0.017 0.000 0.218 124 A C 2.034 179.574 177.584 -0.073 0.000 1.154 124 A CA 1.269 53.262 52.037 -0.074 0.000 0.679 124 A CB -0.257 18.698 19.000 -0.076 0.000 0.795 124 A HN 0.547 nan 8.150 nan 0.000 0.458 125 R N -1.012 119.434 120.500 -0.089 0.000 2.437 125 R HA 0.133 4.462 4.340 -0.017 0.000 0.257 125 R C -0.301 175.958 176.300 -0.069 0.000 0.927 125 R CA 0.080 56.133 56.100 -0.078 0.000 1.078 125 R CB 0.297 30.537 30.300 -0.100 0.000 1.161 125 R HN 0.405 nan 8.270 nan 0.000 0.529 126 N N 0.981 119.640 118.700 -0.068 0.000 2.754 126 N HA -0.175 4.555 4.740 -0.017 0.000 0.248 126 N C -0.976 174.500 175.510 -0.058 0.000 1.093 126 N CA 0.944 53.962 53.050 -0.054 0.000 0.699 126 N CB -1.422 37.041 38.487 -0.041 0.000 1.016 126 N HN 0.272 nan 8.380 nan 0.000 0.552 127 L N 0.177 121.354 121.223 -0.076 0.000 2.309 127 L HA 0.355 4.685 4.340 -0.017 0.000 0.282 127 L C 0.669 177.504 176.870 -0.059 0.000 1.036 127 L CA -0.858 53.937 54.840 -0.075 0.000 0.806 127 L CB 1.336 43.331 42.059 -0.105 0.000 1.220 127 L HN -0.094 nan 8.230 nan 0.000 0.429 128 D N 1.896 122.274 120.400 -0.038 0.000 2.343 128 D HA 0.022 4.652 4.640 -0.017 0.000 0.255 128 D C 0.752 177.051 176.300 -0.002 0.000 1.187 128 D CA 0.002 53.992 54.000 -0.017 0.000 0.875 128 D CB 1.882 42.677 40.800 -0.008 0.000 1.136 128 D HN 0.277 nan 8.370 nan 0.000 0.469 129 V N 3.930 123.853 119.914 0.015 0.000 2.453 129 V HA -0.249 3.861 4.120 -0.017 0.000 0.252 129 V C 2.041 178.178 176.094 0.071 0.000 1.068 129 V CA 2.826 65.163 62.300 0.062 0.000 1.070 129 V CB -0.515 31.367 31.823 0.098 0.000 0.664 129 V HN 0.747 nan 8.190 nan 0.000 0.461 130 S N -1.452 114.277 115.700 0.047 0.000 2.547 130 S HA -0.080 4.380 4.470 -0.017 0.000 0.235 130 S C 1.627 176.248 174.600 0.034 0.000 0.980 130 S CA 1.089 59.315 58.200 0.043 0.000 0.941 130 S CB -0.318 62.902 63.200 0.033 0.000 0.763 130 S HN 0.738 nan 8.310 nan 0.000 0.532 131 K N 0.399 120.815 120.400 0.026 0.000 2.374 131 K HA 0.307 4.617 4.320 -0.017 0.000 0.202 131 K C -0.789 175.818 176.600 0.012 0.000 1.040 131 K CA -0.055 56.238 56.287 0.009 0.000 1.085 131 K CB 1.235 33.731 32.500 -0.007 0.000 0.873 131 K HN 0.194 nan 8.250 nan 0.000 0.539 132 V N 3.703 123.643 119.914 0.044 0.000 2.334 132 V HA 0.197 4.307 4.120 -0.017 0.000 0.267 132 V C 0.173 176.334 176.094 0.111 0.000 1.040 132 V CA -0.676 61.667 62.300 0.073 0.000 0.866 132 V CB 0.553 32.435 31.823 0.097 0.000 1.019 132 V HN 0.161 nan 8.190 nan 0.000 0.468 133 R N 3.342 123.887 120.500 0.075 0.000 2.490 133 R HA 0.556 4.886 4.340 -0.017 0.000 0.278 133 R C -0.676 175.710 176.300 0.143 0.000 1.069 133 R CA -0.377 55.759 56.100 0.060 0.000 1.080 133 R CB 1.648 31.919 30.300 -0.049 0.000 1.030 133 R HN 0.435 nan 8.270 nan 0.000 0.491 134 V N 1.694 121.687 119.914 0.132 0.000 2.487 134 V HA 0.412 4.522 4.120 -0.017 0.000 0.298 134 V C -0.047 176.148 176.094 0.168 0.000 1.028 134 V CA -1.113 61.298 62.300 0.186 0.000 0.860 134 V CB 1.794 33.679 31.823 0.103 0.000 0.991 134 V HN 0.851 nan 8.190 nan 0.000 0.427 135 A N 7.484 130.472 122.820 0.281 0.000 2.310 135 A HA 0.661 4.971 4.320 -0.017 0.000 0.300 135 A C -2.278 175.469 177.584 0.271 0.000 1.269 135 A CA -1.444 50.759 52.037 0.277 0.000 0.909 135 A CB 0.193 19.491 19.000 0.497 0.000 1.144 135 A HN 0.586 nan 8.150 nan 0.000 0.540 136 P HA 0.337 nan 4.420 nan 0.000 0.280 136 P C -0.944 176.536 177.300 0.301 0.000 1.386 136 P CA 0.240 63.486 63.100 0.243 0.000 0.899 136 P CB 0.411 32.295 31.700 0.307 0.000 1.098 137 L N 2.297 123.733 121.223 0.355 0.000 2.330 137 L HA 0.450 4.779 4.340 -0.017 0.000 0.271 137 L C 1.083 178.243 176.870 0.484 0.000 1.013 137 L CA -0.998 54.126 54.840 0.473 0.000 0.816 137 L CB 1.569 44.033 42.059 0.676 0.000 1.287 137 L HN 0.261 nan 8.230 nan 0.000 0.435 138 S N 0.535 116.574 115.700 0.564 0.000 2.563 138 S HA 0.210 4.670 4.470 -0.017 0.000 0.284 138 S C 0.833 175.670 174.600 0.396 0.000 1.331 138 S CA -0.027 58.391 58.200 0.365 0.000 1.047 138 S CB 1.285 64.661 63.200 0.293 0.000 0.859 138 S HN 0.754 nan 8.310 nan 0.000 0.514 139 A N 2.848 125.796 122.820 0.212 0.000 2.044 139 A HA 0.588 4.897 4.320 -0.017 0.000 0.213 139 A C 1.524 179.297 177.584 0.315 0.000 1.169 139 A CA 0.629 52.748 52.037 0.137 0.000 0.724 139 A CB -1.413 17.565 19.000 -0.036 0.000 0.840 139 A HN 2.346 nan 8.150 nan 0.000 0.463 140 G N -1.690 107.260 108.800 0.250 0.000 2.642 140 G HA2 -0.039 3.911 3.960 -0.017 0.000 0.231 140 G HA3 -0.039 3.911 3.960 -0.017 0.000 0.231 140 G C -0.440 174.413 174.900 -0.078 0.000 1.338 140 G CA -0.250 44.947 45.100 0.162 0.000 0.883 140 G HN 1.107 nan 8.290 nan 0.000 0.570 141 V N 1.025 120.632 119.914 -0.510 0.000 2.447 141 V HA 0.730 4.839 4.120 -0.017 0.000 0.292 141 V C -0.228 175.289 176.094 -0.962 0.000 1.021 141 V CA -0.349 61.660 62.300 -0.486 0.000 0.850 141 V CB 0.955 32.576 31.823 -0.337 0.000 1.005 141 V HN 0.704 nan 8.190 nan 0.000 0.426 142 F N 1.688 121.621 119.950 -0.028 0.000 3.208 142 F HA 0.444 4.960 4.527 -0.017 0.000 0.286 142 F C 1.579 177.241 175.800 -0.229 0.000 1.532 142 F CA -0.657 57.270 58.000 -0.121 0.000 1.004 142 F CB 0.362 39.286 39.000 -0.127 0.000 1.777 142 F HN 0.446 nan 8.300 nan 0.000 0.384 143 E N 0.588 120.640 120.200 -0.246 0.000 2.476 143 E HA -0.059 4.281 4.350 -0.017 0.000 0.191 143 E C -0.922 175.519 176.600 -0.264 0.000 1.064 143 E CA 0.335 56.569 56.400 -0.276 0.000 0.866 143 E CB -0.681 28.875 29.700 -0.241 0.000 0.952 143 E HN 0.515 nan 8.360 nan 0.000 0.492 144 Y N 1.244 121.602 120.300 0.096 0.000 2.636 144 Y HA 0.399 4.938 4.550 -0.017 0.000 0.341 144 Y C 1.616 177.539 175.900 0.040 0.000 1.169 144 Y CA -0.210 57.934 58.100 0.074 0.000 1.498 144 Y CB 0.399 38.905 38.460 0.077 0.000 1.362 144 Y HN 0.082 nan 8.280 nan 0.000 0.494 145 A N 2.323 125.225 122.820 0.136 0.000 1.948 145 A HA -0.232 4.078 4.320 -0.017 0.000 0.220 145 A C 2.183 179.813 177.584 0.076 0.000 1.177 145 A CA 1.868 53.951 52.037 0.077 0.000 0.636 145 A CB -0.291 18.740 19.000 0.052 0.000 0.815 145 A HN 0.722 nan 8.150 nan 0.000 0.449 146 E N 0.638 120.898 120.200 0.100 0.000 2.472 146 E HA -0.177 4.162 4.350 -0.017 0.000 0.200 146 E C 1.085 177.720 176.600 0.059 0.000 1.046 146 E CA 1.274 57.715 56.400 0.069 0.000 0.871 146 E CB -0.409 29.331 29.700 0.067 0.000 0.806 146 E HN 0.780 nan 8.360 nan 0.000 0.533 147 E N 0.687 120.935 120.200 0.079 0.000 2.385 147 E HA 0.052 4.392 4.350 -0.017 0.000 0.194 147 E C 0.186 176.799 176.600 0.023 0.000 1.013 147 E CA -0.182 56.248 56.400 0.050 0.000 0.866 147 E CB 0.100 29.844 29.700 0.073 0.000 0.832 147 E HN 0.156 nan 8.360 nan 0.000 0.500 148 R N 0.493 121.006 120.500 0.022 0.000 2.446 148 R HA 0.124 4.453 4.340 -0.017 0.000 0.325 148 R C 0.818 177.113 176.300 -0.008 0.000 0.997 148 R CA 0.755 56.856 56.100 0.001 0.000 1.010 148 R CB 0.180 30.480 30.300 -0.000 0.000 0.946 148 R HN 0.283 nan 8.270 nan 0.000 0.422 149 G N 2.540 111.328 108.800 -0.020 0.000 2.213 149 G HA2 -0.276 3.673 3.960 -0.017 0.000 0.226 149 G HA3 -0.276 3.673 3.960 -0.017 0.000 0.226 149 G C 0.161 175.046 174.900 -0.025 0.000 0.992 149 G CA -0.434 44.648 45.100 -0.029 0.000 0.632 149 G HN 0.508 nan 8.290 nan 0.000 0.511 150 R N -0.062 120.429 120.500 -0.016 0.000 2.598 150 R HA 0.682 5.011 4.340 -0.017 0.000 0.279 150 R C 0.068 176.357 176.300 -0.019 0.000 0.984 150 R CA -0.847 55.246 56.100 -0.011 0.000 0.999 150 R CB 0.990 31.288 30.300 -0.003 0.000 1.114 150 R HN 0.111 nan 8.270 nan 0.000 0.493 151 R N 2.219 122.709 120.500 -0.016 0.000 2.235 151 R HA 0.306 4.635 4.340 -0.017 0.000 0.338 151 R C -0.387 175.897 176.300 -0.026 0.000 1.087 151 R CA -0.250 55.830 56.100 -0.032 0.000 0.948 151 R CB 0.433 30.706 30.300 -0.045 0.000 1.099 151 R HN 0.290 nan 8.270 nan 0.000 0.483 152 I N 4.435 124.988 120.570 -0.029 0.000 2.525 152 I HA 0.430 4.590 4.170 -0.017 0.000 0.301 152 I C 0.071 176.174 176.117 -0.024 0.000 0.992 152 I CA -0.793 60.487 61.300 -0.033 0.000 1.162 152 I CB 1.645 39.609 38.000 -0.060 0.000 1.332 152 I HN 0.474 nan 8.210 nan 0.000 0.458 153 L N 5.098 126.312 121.223 -0.015 0.000 2.401 153 L HA 0.539 4.868 4.340 -0.017 0.000 0.266 153 L C -0.215 176.640 176.870 -0.025 0.000 0.991 153 L CA -0.798 54.059 54.840 0.029 0.000 0.818 153 L CB 2.647 44.763 42.059 0.094 0.000 1.321 153 L HN 0.527 nan 8.230 nan 0.000 0.413 154 R N 0.682 121.148 120.500 -0.057 0.000 2.668 154 R HA 0.711 5.040 4.340 -0.017 0.000 0.279 154 R C -0.242 176.092 176.300 0.058 0.000 0.976 154 R CA -0.753 55.259 56.100 -0.148 0.000 0.978 154 R CB 1.982 31.820 30.300 -0.770 0.000 1.133 154 R HN 0.745 nan 8.270 nan 0.000 0.484 155 G N 2.002 110.856 108.800 0.089 0.000 2.513 155 G HA2 0.603 4.553 3.960 -0.017 0.000 0.317 155 G HA3 0.603 4.553 3.960 -0.017 0.000 0.317 155 G C -1.034 174.053 174.900 0.313 0.000 1.277 155 G CA -0.593 44.606 45.100 0.166 0.000 0.955 155 G HN 0.280 nan 8.290 nan 0.000 0.484 156 L N 1.435 122.909 121.223 0.419 0.000 2.362 156 L HA 0.700 5.030 4.340 -0.017 0.000 0.275 156 L C 0.445 177.480 176.870 0.276 0.000 0.998 156 L CA -1.009 54.071 54.840 0.400 0.000 0.820 156 L CB 2.222 44.616 42.059 0.559 0.000 1.270 156 L HN 0.649 nan 8.230 nan 0.000 0.415 157 A N 3.073 125.935 122.820 0.070 0.000 2.304 157 A HA 0.844 5.154 4.320 -0.017 0.000 0.301 157 A C -1.184 176.088 177.584 -0.520 0.000 1.132 157 A CA -0.140 51.893 52.037 -0.007 0.000 0.819 157 A CB 0.438 19.500 19.000 0.104 0.000 1.094 157 A HN 0.510 nan 8.150 nan 0.000 0.492 158 F N 0.953 120.874 119.950 -0.049 0.000 2.573 158 F HA 0.395 4.912 4.527 -0.017 0.000 0.316 158 F C -0.103 175.640 175.800 -0.095 0.000 1.148 158 F CA -0.678 57.245 58.000 -0.128 0.000 0.940 158 F CB 2.190 40.984 39.000 -0.343 0.000 1.214 158 F HN 0.313 nan 8.300 nan 0.000 0.448 159 V N 3.025 122.998 119.914 0.098 0.000 2.530 159 V HA 0.220 4.330 4.120 -0.017 0.000 0.282 159 V C -0.209 175.921 176.094 0.059 0.000 1.048 159 V CA -0.330 61.993 62.300 0.038 0.000 0.997 159 V CB 1.322 33.123 31.823 -0.037 0.000 0.987 159 V HN 0.762 nan 8.190 nan 0.000 0.477 160 Q N 2.889 122.673 119.800 -0.026 0.000 2.381 160 Q HA 0.239 4.569 4.340 -0.017 0.000 0.263 160 Q C 0.011 175.938 176.000 -0.122 0.000 1.030 160 Q CA -0.667 55.083 55.803 -0.088 0.000 0.772 160 Q CB 1.271 29.937 28.738 -0.120 0.000 1.232 160 Q HN 0.768 nan 8.270 nan 0.000 0.476 161 D N 3.372 123.663 120.400 -0.183 0.000 2.218 161 D HA -0.024 4.605 4.640 -0.017 0.000 0.204 161 D C 0.018 176.391 176.300 0.122 0.000 0.976 161 D CA 1.287 55.251 54.000 -0.060 0.000 0.853 161 D CB 0.097 40.920 40.800 0.038 0.000 0.939 161 D HN 0.434 nan 8.370 nan 0.000 0.481 162 F N -4.326 115.616 119.950 -0.013 0.000 2.713 162 F HA 0.353 4.869 4.527 -0.017 0.000 0.311 162 F C -2.272 173.518 175.800 -0.016 0.000 1.141 162 F CA -2.009 55.980 58.000 -0.018 0.000 0.939 162 F CB 0.490 39.474 39.000 -0.028 0.000 1.325 162 F HN -0.416 nan 8.300 nan 0.000 0.453 163 P HA -0.204 nan 4.420 nan 0.000 0.218 163 P C 0.211 177.514 177.300 0.004 0.000 1.152 163 P CA 1.996 65.127 63.100 0.052 0.000 0.857 163 P CB 0.147 31.896 31.700 0.082 0.000 0.787 164 E N -0.901 119.345 120.200 0.077 0.000 2.465 164 E HA 0.109 4.448 4.350 -0.017 0.000 0.195 164 E C 0.045 176.525 176.600 -0.200 0.000 1.028 164 E CA -0.167 56.244 56.400 0.018 0.000 0.899 164 E CB -0.514 29.274 29.700 0.147 0.000 1.032 164 E HN 0.279 nan 8.360 nan 0.000 0.468 165 D N 0.191 120.236 120.400 -0.593 0.000 2.304 165 D HA 0.088 4.717 4.640 -0.017 0.000 0.247 165 D C -0.521 175.564 176.300 -0.359 0.000 1.089 165 D CA -0.184 53.334 54.000 -0.804 0.000 0.910 165 D CB 0.991 41.041 40.800 -1.250 0.000 1.199 165 D HN -0.095 nan 8.370 nan 0.000 0.426 166 S N 2.371 117.926 115.700 -0.241 0.000 2.411 166 S HA 0.420 4.880 4.470 -0.017 0.000 0.304 166 S C 1.059 175.589 174.600 -0.116 0.000 1.098 166 S CA -0.241 57.890 58.200 -0.115 0.000 1.068 166 S CB 0.312 63.481 63.200 -0.052 0.000 1.032 166 S HN 0.506 nan 8.310 nan 0.000 0.511 167 A N 5.000 127.659 122.820 -0.269 0.000 2.019 167 A HA -0.036 4.274 4.320 -0.017 0.000 0.219 167 A C 1.438 178.887 177.584 -0.225 0.000 1.164 167 A CA 1.007 52.894 52.037 -0.250 0.000 0.644 167 A CB -0.784 17.974 19.000 -0.403 0.000 0.805 167 A HN 0.996 nan 8.150 nan 0.000 0.449 168 W N -0.138 121.117 121.300 -0.075 0.000 2.387 168 W HA -0.025 4.624 4.660 -0.017 0.000 0.272 168 W C 2.398 179.007 176.519 0.150 0.000 1.224 168 W CA 0.810 58.095 57.345 -0.099 0.000 1.210 168 W CB -0.200 29.203 29.460 -0.095 0.000 1.125 168 W HN 0.369 nan 8.180 nan 0.000 0.572 169 A N -0.510 122.470 122.820 0.266 0.000 2.168 169 A HA -0.077 4.233 4.320 -0.017 0.000 0.215 169 A C 0.213 177.628 177.584 -0.283 0.000 1.152 169 A CA 0.863 52.933 52.037 0.055 0.000 0.716 169 A CB -0.864 18.099 19.000 -0.061 0.000 0.794 169 A HN 0.498 nan 8.150 nan 0.000 0.465 170 H N -0.288 118.898 119.070 0.193 0.000 2.386 170 H HA 0.248 4.794 4.556 -0.017 0.000 0.232 170 H C -2.765 172.596 175.328 0.054 0.000 1.416 170 H CA -2.013 54.094 56.048 0.098 0.000 1.285 170 H CB 0.367 30.163 29.762 0.057 0.000 1.625 170 H HN 0.295 nan 8.280 nan 0.000 0.521 171 P HA -0.022 nan 4.420 nan 0.000 0.271 171 P C -0.010 177.123 177.300 -0.279 0.000 1.218 171 P CA -0.141 62.777 63.100 -0.304 0.000 0.780 171 P CB 2.043 33.633 31.700 -0.184 0.000 0.901 172 V N 3.316 122.978 119.914 -0.420 0.000 2.257 172 V HA 0.159 4.268 4.120 -0.017 0.000 0.269 172 V C 0.613 176.560 176.094 -0.246 0.000 1.040 172 V CA -0.315 61.834 62.300 -0.252 0.000 0.813 172 V CB 0.379 32.059 31.823 -0.238 0.000 1.065 172 V HN 0.531 nan 8.190 nan 0.000 0.457 173 D N 2.934 123.193 120.400 -0.235 0.000 2.358 173 D HA 0.425 5.054 4.640 -0.017 0.000 0.244 173 D C 1.278 177.500 176.300 -0.130 0.000 1.163 173 D CA 1.411 55.197 54.000 -0.358 0.000 0.945 173 D CB 1.812 42.090 40.800 -0.869 0.000 1.152 173 D HN 0.745 nan 8.370 nan 0.000 0.451 174 G N 0.289 109.022 108.800 -0.110 0.000 2.179 174 G HA2 -0.220 3.729 3.960 -0.017 0.000 0.260 174 G HA3 -0.220 3.729 3.960 -0.017 0.000 0.260 174 G C -0.119 174.826 174.900 0.075 0.000 0.977 174 G CA 0.536 45.736 45.100 0.165 0.000 0.641 174 G HN 0.472 nan 8.290 nan 0.000 0.533 175 L N 0.029 121.264 121.223 0.021 0.000 2.431 175 L HA 0.930 5.259 4.340 -0.017 0.000 0.266 175 L C -0.723 176.232 176.870 0.143 0.000 0.978 175 L CA -1.077 53.780 54.840 0.028 0.000 0.822 175 L CB 2.401 44.390 42.059 -0.116 0.000 1.310 175 L HN 0.638 nan 8.230 nan 0.000 0.409 176 V N 3.869 123.902 119.914 0.200 0.000 2.969 176 V HA 0.955 5.064 4.120 -0.017 0.000 0.304 176 V C -1.375 174.788 176.094 0.115 0.000 1.192 176 V CA 0.289 62.742 62.300 0.255 0.000 0.962 176 V CB 2.043 34.050 31.823 0.306 0.000 1.045 176 V HN 1.185 nan 8.190 nan 0.000 0.428 177 A N 5.207 128.078 122.820 0.085 0.000 2.401 177 A HA 0.963 5.272 4.320 -0.017 0.000 0.310 177 A C -1.987 175.568 177.584 -0.047 0.000 1.075 177 A CA -0.462 51.496 52.037 -0.132 0.000 0.746 177 A CB 1.651 20.508 19.000 -0.238 0.000 1.277 177 A HN 0.847 nan 8.150 nan 0.000 0.425 178 Y N 0.496 120.668 120.300 -0.214 0.000 2.352 178 Y HA 0.602 5.142 4.550 -0.017 0.000 0.339 178 Y C -0.152 175.638 175.900 -0.183 0.000 0.992 178 Y CA -1.681 56.273 58.100 -0.244 0.000 1.100 178 Y CB 1.673 39.943 38.460 -0.316 0.000 1.192 178 Y HN 0.353 nan 8.280 nan 0.000 0.458 179 V N 3.171 123.088 119.914 0.005 0.000 2.588 179 V HA 0.244 4.353 4.120 -0.017 0.000 0.304 179 V C -0.609 175.473 176.094 -0.019 0.000 1.042 179 V CA -1.057 61.223 62.300 -0.033 0.000 0.877 179 V CB 2.202 33.988 31.823 -0.062 0.000 0.996 179 V HN 0.674 nan 8.190 nan 0.000 0.425 180 D N 3.402 123.792 120.400 -0.017 0.000 2.365 180 D HA 0.143 4.773 4.640 -0.017 0.000 0.237 180 D C 1.005 177.301 176.300 -0.006 0.000 1.190 180 D CA -0.218 53.776 54.000 -0.010 0.000 0.867 180 D CB 1.956 42.753 40.800 -0.005 0.000 1.050 180 D HN 0.442 nan 8.370 nan 0.000 0.491 181 V N 2.317 122.229 119.914 -0.003 0.000 3.305 181 V HA -0.065 4.045 4.120 -0.017 0.000 0.269 181 V C 1.574 177.682 176.094 0.024 0.000 1.157 181 V CA 0.533 62.835 62.300 0.004 0.000 1.157 181 V CB -0.285 31.535 31.823 -0.006 0.000 0.772 181 V HN 0.385 nan 8.190 nan 0.000 0.498 182 V N 1.462 121.396 119.914 0.033 0.000 2.436 182 V HA -0.049 4.061 4.120 -0.017 0.000 0.240 182 V C 2.791 178.903 176.094 0.031 0.000 1.040 182 V CA 1.806 64.140 62.300 0.057 0.000 1.052 182 V CB -0.093 31.779 31.823 0.082 0.000 0.707 182 V HN 0.710 nan 8.190 nan 0.000 0.469 183 S N -0.669 115.042 115.700 0.017 0.000 2.522 183 S HA -0.038 4.421 4.470 -0.017 0.000 0.227 183 S C 0.818 175.421 174.600 0.005 0.000 0.986 183 S CA 0.185 58.390 58.200 0.008 0.000 0.929 183 S CB -0.438 62.765 63.200 0.004 0.000 0.769 183 S HN 0.597 nan 8.310 nan 0.000 0.529 184 K N 1.057 121.460 120.400 0.005 0.000 3.244 184 K HA -0.142 4.168 4.320 -0.017 0.000 0.270 184 K C -1.039 175.555 176.600 -0.011 0.000 1.016 184 K CA 0.833 57.118 56.287 -0.002 0.000 0.754 184 K CB -1.896 30.607 32.500 0.004 0.000 1.326 184 K HN 0.697 nan 8.250 nan 0.000 0.465 185 E N 0.030 120.221 120.200 -0.015 0.000 2.288 185 E HA 0.381 4.721 4.350 -0.017 0.000 0.268 185 E C -0.502 176.077 176.600 -0.035 0.000 0.885 185 E CA -1.057 55.331 56.400 -0.021 0.000 0.767 185 E CB 2.436 32.128 29.700 -0.013 0.000 1.220 185 E HN -0.028 nan 8.360 nan 0.000 0.427 186 V N 2.896 122.782 119.914 -0.046 0.000 2.353 186 V HA 0.013 4.123 4.120 -0.017 0.000 0.264 186 V C 1.332 177.395 176.094 -0.052 0.000 1.049 186 V CA 0.187 62.447 62.300 -0.068 0.000 0.896 186 V CB 0.576 32.346 31.823 -0.088 0.000 1.025 186 V HN 0.947 nan 8.190 nan 0.000 0.475 187 T N 2.593 117.120 114.554 -0.045 0.000 2.942 187 T HA 0.119 4.458 4.350 -0.017 0.000 0.265 187 T C 0.858 175.511 174.700 -0.079 0.000 1.062 187 T CA 0.586 62.664 62.100 -0.037 0.000 1.139 187 T CB 0.350 69.215 68.868 -0.005 0.000 0.883 187 T HN 0.477 nan 8.240 nan 0.000 0.468 188 R N -0.563 119.844 120.500 -0.155 0.000 2.629 188 R HA 0.621 4.950 4.340 -0.017 0.000 0.266 188 R C -2.289 173.815 176.300 -0.327 0.000 1.051 188 R CA -0.617 55.317 56.100 -0.278 0.000 0.895 188 R CB 2.859 32.856 30.300 -0.504 0.000 1.246 188 R HN 0.083 nan 8.270 nan 0.000 0.459 189 V N 4.725 124.506 119.914 -0.221 0.000 2.488 189 V HA 0.473 4.583 4.120 -0.017 0.000 0.293 189 V C -0.533 175.495 176.094 -0.110 0.000 1.027 189 V CA -0.559 61.681 62.300 -0.100 0.000 0.862 189 V CB 1.845 33.709 31.823 0.067 0.000 1.008 189 V HN 0.557 nan 8.190 nan 0.000 0.428 190 I N 4.164 124.657 120.570 -0.129 0.000 2.378 190 I HA 0.512 4.672 4.170 -0.017 0.000 0.291 190 I C -0.806 175.309 176.117 -0.003 0.000 0.992 190 I CA -0.235 61.018 61.300 -0.077 0.000 1.154 190 I CB 1.841 39.778 38.000 -0.105 0.000 1.315 190 I HN 0.478 nan 8.210 nan 0.000 0.448 191 D N 4.321 124.722 120.400 0.002 0.000 2.505 191 D HA 0.179 4.808 4.640 -0.017 0.000 0.250 191 D C 0.754 177.070 176.300 0.027 0.000 1.164 191 D CA -0.360 53.645 54.000 0.008 0.000 0.870 191 D CB 1.670 42.457 40.800 -0.022 0.000 1.160 191 D HN 0.645 nan 8.370 nan 0.000 0.549 192 T N 0.392 114.985 114.554 0.065 0.000 3.081 192 T HA 0.472 4.812 4.350 -0.017 0.000 0.250 192 T C 0.932 175.667 174.700 0.058 0.000 1.100 192 T CA 0.329 62.475 62.100 0.076 0.000 1.038 192 T CB 0.268 69.210 68.868 0.123 0.000 0.962 192 T HN 0.585 nan 8.240 nan 0.000 0.516 193 G N 0.180 109.012 108.800 0.053 0.000 2.312 193 G HA2 0.301 4.251 3.960 -0.017 0.000 0.347 193 G HA3 0.301 4.251 3.960 -0.017 0.000 0.347 193 G C -1.237 173.672 174.900 0.014 0.000 1.564 193 G CA -0.482 44.605 45.100 -0.021 0.000 0.981 193 G HN 0.432 nan 8.290 nan 0.000 0.678 194 V N 0.642 120.520 119.914 -0.059 0.000 2.775 194 V HA 0.786 4.895 4.120 -0.017 0.000 0.299 194 V C -0.460 175.593 176.094 -0.069 0.000 1.062 194 V CA -0.102 62.188 62.300 -0.016 0.000 1.063 194 V CB 0.774 32.566 31.823 -0.052 0.000 0.994 194 V HN 0.684 nan 8.190 nan 0.000 0.483 195 F N 4.735 124.648 119.950 -0.061 0.000 2.565 195 F HA 0.588 5.105 4.527 -0.017 0.000 0.313 195 F C -2.039 173.734 175.800 -0.046 0.000 1.091 195 F CA -1.988 55.982 58.000 -0.051 0.000 0.915 195 F CB 1.937 40.905 39.000 -0.053 0.000 1.208 195 F HN 0.392 nan 8.300 nan 0.000 0.453 196 P HA 0.109 nan 4.420 nan 0.000 0.265 196 P C -0.855 176.499 177.300 0.090 0.000 1.193 196 P CA -0.107 63.045 63.100 0.086 0.000 0.765 196 P CB 0.530 32.274 31.700 0.074 0.000 0.823 197 V N 6.969 126.915 119.914 0.054 0.000 2.408 197 V HA 0.148 4.258 4.120 -0.017 0.000 0.267 197 V C -1.805 174.342 176.094 0.087 0.000 1.047 197 V CA -1.482 60.848 62.300 0.049 0.000 0.937 197 V CB 0.415 32.248 31.823 0.017 0.000 0.999 197 V HN 0.585 nan 8.190 nan 0.000 0.472 198 P HA -0.003 nan 4.420 nan 0.000 0.261 198 P C 0.446 177.890 177.300 0.239 0.000 1.173 198 P CA 0.429 63.597 63.100 0.114 0.000 0.760 198 P CB 0.758 32.483 31.700 0.042 0.000 0.783 199 A N 3.603 126.535 122.820 0.186 0.000 1.943 199 A HA -0.012 4.298 4.320 -0.017 0.000 0.213 199 A C 0.737 178.499 177.584 0.297 0.000 1.181 199 A CA 0.520 52.688 52.037 0.219 0.000 0.653 199 A CB -0.450 18.623 19.000 0.122 0.000 0.833 199 A HN 0.579 nan 8.150 nan 0.000 0.451 200 E N 0.826 121.150 120.200 0.207 0.000 2.413 200 E HA 0.227 4.567 4.350 -0.017 0.000 0.263 200 E C -0.276 176.471 176.600 0.244 0.000 1.015 200 E CA 0.020 56.526 56.400 0.177 0.000 0.916 200 E CB 0.289 30.048 29.700 0.098 0.000 0.947 200 E HN 0.779 nan 8.360 nan 0.000 0.440 201 H N -0.541 118.686 119.070 0.261 0.000 2.546 201 H HA 0.451 4.996 4.556 -0.017 0.000 0.365 201 H C 0.522 175.949 175.328 0.165 0.000 1.220 201 H CA -0.785 55.384 56.048 0.202 0.000 1.386 201 H CB 0.952 30.852 29.762 0.230 0.000 1.510 201 H HN 0.501 nan 8.280 nan 0.000 0.591 202 G N 1.213 110.145 108.800 0.219 0.000 4.547 202 G HA2 0.054 4.004 3.960 -0.017 0.000 0.301 202 G HA3 0.054 4.004 3.960 -0.017 0.000 0.301 202 G C -0.658 174.205 174.900 -0.062 0.000 1.240 202 G CA -0.683 44.411 45.100 -0.010 0.000 0.970 202 G HN 0.631 nan 8.290 nan 0.000 0.574 203 N N 1.784 120.634 118.700 0.249 0.000 2.663 203 N HA 0.094 4.824 4.740 -0.017 0.000 0.250 203 N C 0.858 176.315 175.510 -0.089 0.000 1.129 203 N CA -0.427 52.583 53.050 -0.067 0.000 0.995 203 N CB 0.531 38.996 38.487 -0.037 0.000 1.324 203 N HN 0.566 nan 8.380 nan 0.000 0.512 204 Y N -0.358 119.935 120.300 -0.011 0.000 2.716 204 Y HA -0.048 4.492 4.550 -0.017 0.000 0.302 204 Y C 1.692 177.586 175.900 -0.011 0.000 1.160 204 Y CA 0.381 58.454 58.100 -0.045 0.000 1.362 204 Y CB -0.764 37.626 38.460 -0.116 0.000 0.988 204 Y HN 0.267 nan 8.280 nan 0.000 0.546 205 T N -4.116 110.431 114.554 -0.012 0.000 3.054 205 T HA 0.083 4.422 4.350 -0.017 0.000 0.255 205 T C -0.010 174.701 174.700 0.019 0.000 1.035 205 T CA -0.209 61.911 62.100 0.033 0.000 0.941 205 T CB -0.147 68.730 68.868 0.015 0.000 1.026 205 T HN 0.183 nan 8.240 nan 0.000 0.533 206 D N 3.396 123.812 120.400 0.025 0.000 2.325 206 D HA 0.222 4.851 4.640 -0.017 0.000 0.251 206 D C -1.223 175.115 176.300 0.064 0.000 1.196 206 D CA -2.540 51.481 54.000 0.035 0.000 0.866 206 D CB 1.834 42.657 40.800 0.037 0.000 1.101 206 D HN 0.012 nan 8.370 nan 0.000 0.476 207 P HA -0.188 nan 4.420 nan 0.000 0.222 207 P C 0.996 178.328 177.300 0.053 0.000 1.142 207 P CA 0.854 63.977 63.100 0.039 0.000 0.788 207 P CB 0.369 32.082 31.700 0.022 0.000 0.767 208 E N -0.642 119.602 120.200 0.074 0.000 2.152 208 E HA -0.138 4.202 4.350 -0.017 0.000 0.192 208 E C 1.803 178.468 176.600 0.108 0.000 0.983 208 E CA 0.461 56.918 56.400 0.094 0.000 0.818 208 E CB -0.231 29.547 29.700 0.130 0.000 0.758 208 E HN 0.081 nan 8.360 nan 0.000 0.467 209 L N 0.402 121.706 121.223 0.136 0.000 2.221 209 L HA -0.005 4.325 4.340 -0.017 0.000 0.202 209 L C 2.518 179.424 176.870 0.061 0.000 1.074 209 L CA 1.996 56.894 54.840 0.097 0.000 0.795 209 L CB -0.485 41.655 42.059 0.135 0.000 0.960 209 L HN 0.249 nan 8.230 nan 0.000 0.458 210 T N -2.491 112.102 114.554 0.065 0.000 2.857 210 T HA 0.332 4.671 4.350 -0.017 0.000 0.266 210 T C 1.206 175.926 174.700 0.034 0.000 1.048 210 T CA 0.643 62.771 62.100 0.046 0.000 1.139 210 T CB -0.864 68.032 68.868 0.047 0.000 0.874 210 T HN 0.764 nan 8.240 nan 0.000 0.455 211 G N 1.733 110.554 108.800 0.036 0.000 2.728 211 G HA2 0.007 3.957 3.960 -0.017 0.000 0.294 211 G HA3 0.007 3.957 3.960 -0.017 0.000 0.294 211 G C -2.932 171.981 174.900 0.022 0.000 1.342 211 G CA -0.735 44.381 45.100 0.028 0.000 0.866 211 G HN 0.555 nan 8.290 nan 0.000 0.534 212 P HA 0.401 nan 4.420 nan 0.000 0.268 212 P C 0.432 177.740 177.300 0.012 0.000 1.204 212 P CA -0.247 62.861 63.100 0.014 0.000 0.768 212 P CB 0.391 32.097 31.700 0.011 0.000 0.842 213 L N 3.355 124.585 121.223 0.011 0.000 2.417 213 L HA 0.258 4.587 4.340 -0.017 0.000 0.268 213 L C 1.249 178.123 176.870 0.006 0.000 1.158 213 L CA -0.480 54.365 54.840 0.009 0.000 0.819 213 L CB 0.186 42.251 42.059 0.010 0.000 1.112 213 L HN 0.332 nan 8.230 nan 0.000 0.458 214 R N 0.562 121.064 120.500 0.004 0.000 2.640 214 R HA 0.035 4.364 4.340 -0.017 0.000 0.270 214 R C 0.749 177.050 176.300 0.001 0.000 1.024 214 R CA 0.475 56.576 56.100 0.002 0.000 1.085 214 R CB 0.202 30.501 30.300 -0.001 0.000 0.963 214 R HN 0.742 nan 8.270 nan 0.000 0.426 215 T N -3.791 110.763 114.554 0.001 0.000 3.040 215 T HA -0.023 4.317 4.350 -0.017 0.000 0.266 215 T C 1.446 176.146 174.700 -0.000 0.000 1.005 215 T CA 0.147 62.247 62.100 0.001 0.000 0.906 215 T CB 0.332 69.201 68.868 0.002 0.000 1.082 215 T HN 0.680 nan 8.240 nan 0.000 0.531 216 T N -0.087 114.466 114.554 -0.001 0.000 3.055 216 T HA 0.077 4.417 4.350 -0.017 0.000 0.265 216 T C 0.820 175.518 174.700 -0.003 0.000 1.111 216 T CA 0.122 62.220 62.100 -0.003 0.000 1.118 216 T CB -0.467 68.399 68.868 -0.003 0.000 0.909 216 T HN 0.430 nan 8.240 nan 0.000 0.501 217 Q N 1.773 121.571 119.800 -0.003 0.000 2.324 217 Q HA 0.339 4.669 4.340 -0.017 0.000 0.257 217 Q C -0.684 175.314 176.000 -0.002 0.000 1.080 217 Q CA -0.154 55.647 55.803 -0.004 0.000 0.907 217 Q CB 0.731 29.466 28.738 -0.005 0.000 1.274 217 Q HN 0.285 nan 8.270 nan 0.000 0.434 218 K N 3.282 123.680 120.400 -0.003 0.000 2.118 218 K HA 0.295 4.604 4.320 -0.017 0.000 0.264 218 K C -2.063 174.537 176.600 -0.001 0.000 1.000 218 K CA -1.351 54.935 56.287 -0.001 0.000 0.929 218 K CB 0.323 32.822 32.500 -0.002 0.000 1.021 218 K HN 0.391 nan 8.250 nan 0.000 0.463 219 P HA 0.122 nan 4.420 nan 0.000 0.269 219 P C -0.777 176.525 177.300 0.003 0.000 1.209 219 P CA 0.120 63.222 63.100 0.003 0.000 0.776 219 P CB 0.540 32.243 31.700 0.005 0.000 0.876 220 I N 1.293 121.867 120.570 0.005 0.000 2.420 220 I HA 0.119 4.278 4.170 -0.017 0.000 0.282 220 I C 0.380 176.504 176.117 0.012 0.000 1.019 220 I CA -0.503 60.801 61.300 0.007 0.000 1.130 220 I CB 1.557 39.561 38.000 0.007 0.000 1.262 220 I HN 0.286 nan 8.210 nan 0.000 0.454 221 S N 7.707 123.415 115.700 0.013 0.000 2.438 221 S HA 0.599 5.059 4.470 -0.017 0.000 0.293 221 S C -0.494 174.120 174.600 0.023 0.000 1.141 221 S CA -0.415 57.795 58.200 0.017 0.000 1.080 221 S CB 0.315 63.524 63.200 0.015 0.000 0.978 221 S HN 0.455 nan 8.310 nan 0.000 0.479 222 I N 5.475 126.062 120.570 0.028 0.000 2.354 222 I HA 0.334 4.494 4.170 -0.017 0.000 0.286 222 I C 0.219 176.361 176.117 0.041 0.000 1.007 222 I CA -0.380 60.944 61.300 0.039 0.000 1.167 222 I CB 1.706 39.735 38.000 0.049 0.000 1.320 222 I HN 0.678 nan 8.210 nan 0.000 0.458 223 T N 1.978 116.557 114.554 0.042 0.000 2.916 223 T HA 0.530 4.869 4.350 -0.017 0.000 0.292 223 T C -0.621 174.108 174.700 0.048 0.000 1.064 223 T CA -0.905 61.219 62.100 0.041 0.000 1.011 223 T CB 2.261 71.148 68.868 0.030 0.000 1.152 223 T HN 0.471 nan 8.240 nan 0.000 0.510 224 Q N 0.980 120.807 119.800 0.044 0.000 2.616 224 Q HA 0.256 4.585 4.340 -0.017 0.000 0.250 224 Q C -2.203 173.814 176.000 0.027 0.000 0.991 224 Q CA -1.873 53.956 55.803 0.044 0.000 0.707 224 Q CB 1.868 30.638 28.738 0.054 0.000 1.247 224 Q HN 0.502 nan 8.270 nan 0.000 0.491 225 P HA -0.210 nan 4.420 nan 0.000 0.217 225 P C 0.140 177.447 177.300 0.012 0.000 1.148 225 P CA 1.458 64.568 63.100 0.017 0.000 0.834 225 P CB 0.361 32.071 31.700 0.017 0.000 0.783 226 E N -1.195 119.012 120.200 0.011 0.000 2.501 226 E HA 0.378 4.717 4.350 -0.017 0.000 0.200 226 E C 0.790 177.385 176.600 -0.009 0.000 1.016 226 E CA -0.003 56.399 56.400 0.003 0.000 0.921 226 E CB 0.181 29.884 29.700 0.006 0.000 1.034 226 E HN 0.132 nan 8.360 nan 0.000 0.468 227 G N 2.861 111.655 108.800 -0.010 0.000 2.757 227 G HA2 -0.187 3.762 3.960 -0.017 0.000 0.638 227 G HA3 -0.187 3.762 3.960 -0.017 0.000 0.638 227 G C -2.753 172.116 174.900 -0.052 0.000 1.344 227 G CA -0.879 44.197 45.100 -0.040 0.000 0.855 227 G HN 0.015 nan 8.290 nan 0.000 0.537 228 P HA 0.385 nan 4.420 nan 0.000 0.276 228 P C 0.590 177.806 177.300 -0.141 0.000 1.252 228 P CA 0.064 63.055 63.100 -0.180 0.000 0.802 228 P CB 1.397 32.719 31.700 -0.630 0.000 1.035 229 S N 0.069 115.826 115.700 0.096 0.000 2.527 229 S HA 0.101 4.560 4.470 -0.017 0.000 0.222 229 S C 0.749 175.521 174.600 0.287 0.000 0.985 229 S CA 0.176 58.484 58.200 0.181 0.000 0.921 229 S CB -0.770 62.584 63.200 0.256 0.000 0.772 229 S HN 0.572 nan 8.310 nan 0.000 0.529 230 F N 2.041 122.194 119.950 0.337 0.000 2.403 230 F HA 0.722 5.238 4.527 -0.018 0.000 0.326 230 F C 0.174 176.066 175.800 0.153 0.000 1.081 230 F CA -1.106 57.075 58.000 0.301 0.000 1.041 230 F CB 0.387 39.539 39.000 0.254 0.000 1.234 230 F HN -0.151 nan 8.300 nan 0.000 0.503 231 T N 0.010 114.744 114.554 0.299 0.000 2.829 231 T HA 0.698 5.037 4.350 -0.017 0.000 0.280 231 T C -1.021 173.830 174.700 0.252 0.000 0.999 231 T CA -0.792 61.410 62.100 0.171 0.000 0.983 231 T CB 1.351 70.298 68.868 0.131 0.000 0.968 231 T HN 0.661 nan 8.240 nan 0.000 0.446 232 V N 3.156 123.192 119.914 0.204 0.000 2.347 232 V HA 0.613 4.722 4.120 -0.017 0.000 0.280 232 V C 0.333 176.523 176.094 0.159 0.000 1.021 232 V CA -0.484 61.936 62.300 0.199 0.000 0.847 232 V CB 1.291 33.236 31.823 0.204 0.000 0.990 232 V HN 1.137 nan 8.190 nan 0.000 0.444 233 T N 2.980 117.648 114.554 0.189 0.000 2.876 233 T HA 0.618 4.958 4.350 -0.017 0.000 0.289 233 T C 0.668 175.465 174.700 0.162 0.000 1.014 233 T CA 0.492 62.692 62.100 0.166 0.000 0.986 233 T CB 1.473 70.452 68.868 0.186 0.000 1.021 233 T HN 1.367 nan 8.240 nan 0.000 0.458 234 G N 1.623 110.486 108.800 0.104 0.000 2.249 234 G HA2 -0.029 3.921 3.960 -0.017 0.000 0.273 234 G HA3 -0.029 3.921 3.960 -0.017 0.000 0.273 234 G C 1.231 176.190 174.900 0.098 0.000 1.036 234 G CA 0.951 46.104 45.100 0.088 0.000 0.824 234 G HN 1.838 nan 8.290 nan 0.000 0.504 235 G N -0.150 108.708 108.800 0.096 0.000 2.609 235 G HA2 -0.355 3.595 3.960 -0.017 0.000 0.235 235 G HA3 -0.355 3.595 3.960 -0.017 0.000 0.235 235 G C 0.850 175.810 174.900 0.100 0.000 1.177 235 G CA 1.328 46.481 45.100 0.089 0.000 0.707 235 G HN 2.256 nan 8.290 nan 0.000 0.513 236 N N -1.277 117.493 118.700 0.118 0.000 2.142 236 N HA 0.291 5.020 4.740 -0.017 0.000 0.233 236 N C -0.045 175.536 175.510 0.118 0.000 1.335 236 N CA -0.007 53.106 53.050 0.105 0.000 0.837 236 N CB 0.357 38.903 38.487 0.097 0.000 1.238 236 N HN 0.556 nan 8.380 nan 0.000 0.501 237 H N 0.852 119.963 119.070 0.069 0.000 2.604 237 H HA 0.480 5.026 4.556 -0.018 0.000 0.306 237 H C -1.017 174.362 175.328 0.085 0.000 1.075 237 H CA -0.246 55.840 56.048 0.064 0.000 1.357 237 H CB 0.632 30.432 29.762 0.062 0.000 1.426 237 H HN 0.115 nan 8.280 nan 0.000 0.470 238 I N 4.503 124.829 120.570 -0.408 0.000 2.493 238 I HA 0.234 4.393 4.170 -0.017 0.000 0.298 238 I C -0.451 175.539 176.117 -0.211 0.000 0.998 238 I CA -0.318 60.877 61.300 -0.175 0.000 1.137 238 I CB 1.773 39.694 38.000 -0.132 0.000 1.310 238 I HN 0.643 nan 8.210 nan 0.000 0.445 239 E N 5.119 125.364 120.200 0.075 0.000 2.241 239 E HA 0.329 4.668 4.350 -0.017 0.000 0.263 239 E C -1.837 174.961 176.600 0.330 0.000 0.882 239 E CA -0.631 55.865 56.400 0.160 0.000 0.769 239 E CB 2.376 32.176 29.700 0.167 0.000 1.185 239 E HN 0.569 nan 8.360 nan 0.000 0.415 240 W N 3.789 125.161 121.300 0.120 0.000 3.326 240 W HA 0.145 4.795 4.660 -0.017 0.000 0.333 240 W C -0.518 176.105 176.519 0.173 0.000 1.108 240 W CA -0.396 57.047 57.345 0.164 0.000 1.245 240 W CB 0.953 30.508 29.460 0.158 0.000 1.331 240 W HN 0.351 nan 8.180 nan 0.000 0.464 241 E N 5.756 125.653 120.200 -0.505 0.000 2.199 241 E HA -0.324 4.015 4.350 -0.017 0.000 0.208 241 E C 0.536 176.852 176.600 -0.473 0.000 1.310 241 E CA 1.871 57.881 56.400 -0.651 0.000 0.709 241 E CB -1.069 27.831 29.700 -1.334 0.000 1.127 241 E HN 0.904 nan 8.360 nan 0.000 0.354 242 K N -3.870 116.283 120.400 -0.411 0.000 3.609 242 K HA -0.242 4.067 4.320 -0.017 0.000 0.277 242 K C 0.180 176.355 176.600 -0.709 0.000 1.196 242 K CA 1.705 57.579 56.287 -0.688 0.000 1.022 242 K CB -1.381 30.396 32.500 -1.204 0.000 1.292 242 K HN 0.259 nan 8.250 nan 0.000 0.484 243 W N 1.584 122.707 121.300 -0.295 0.000 2.237 243 W HA 0.431 5.081 4.660 -0.017 0.000 0.335 243 W C 0.674 177.180 176.519 -0.021 0.000 1.230 243 W CA -0.048 57.264 57.345 -0.055 0.000 1.253 243 W CB 1.401 30.974 29.460 0.188 0.000 1.129 243 W HN -0.024 nan 8.180 nan 0.000 0.590 244 S N 3.536 119.407 115.700 0.285 0.000 2.575 244 S HA 0.821 5.280 4.470 -0.017 0.000 0.278 244 S C -1.147 173.488 174.600 0.058 0.000 1.139 244 S CA -0.733 57.537 58.200 0.116 0.000 0.954 244 S CB 0.173 63.459 63.200 0.145 0.000 1.054 244 S HN 0.557 nan 8.310 nan 0.000 0.483 245 L N 1.137 122.269 121.223 -0.152 0.000 3.020 245 L HA 0.738 5.068 4.340 -0.017 0.000 0.273 245 L C -2.145 174.605 176.870 -0.200 0.000 1.018 245 L CA -1.031 53.728 54.840 -0.134 0.000 0.950 245 L CB 1.654 43.639 42.059 -0.124 0.000 1.510 245 L HN 0.407 nan 8.230 nan 0.000 0.404 246 D N 1.436 121.788 120.400 -0.081 0.000 2.375 246 D HA 0.469 5.099 4.640 -0.017 0.000 0.247 246 D C -0.826 175.484 176.300 0.017 0.000 1.061 246 D CA -0.289 53.721 54.000 0.017 0.000 0.834 246 D CB 3.242 44.098 40.800 0.093 0.000 1.247 246 D HN 0.368 nan 8.370 nan 0.000 0.489 247 V N 2.270 122.192 119.914 0.013 0.000 2.320 247 V HA 0.441 4.550 4.120 -0.017 0.000 0.265 247 V C 0.954 177.104 176.094 0.093 0.000 1.048 247 V CA -0.383 61.915 62.300 -0.003 0.000 0.865 247 V CB 1.014 32.814 31.823 -0.038 0.000 1.043 247 V HN 0.593 nan 8.190 nan 0.000 0.474 248 G N 3.145 112.032 108.800 0.144 0.000 2.488 248 G HA2 0.684 4.634 3.960 -0.017 0.000 0.318 248 G HA3 0.684 4.634 3.960 -0.017 0.000 0.318 248 G C -1.461 173.528 174.900 0.150 0.000 1.188 248 G CA -0.462 44.759 45.100 0.201 0.000 0.944 248 G HN 0.493 nan 8.290 nan 0.000 0.495 249 F N 0.112 120.042 119.950 -0.034 0.000 2.588 249 F HA 0.471 4.988 4.527 -0.018 0.000 0.318 249 F C -1.353 174.392 175.800 -0.091 0.000 1.155 249 F CA -0.914 57.016 58.000 -0.116 0.000 0.967 249 F CB 2.415 41.332 39.000 -0.139 0.000 1.236 249 F HN 0.519 nan 8.300 nan 0.000 0.455 250 D N 3.926 123.962 120.400 -0.607 0.000 2.481 250 D HA 0.315 4.945 4.640 -0.017 0.000 0.244 250 D C 0.319 176.272 176.300 -0.577 0.000 1.057 250 D CA -0.554 53.223 54.000 -0.372 0.000 0.848 250 D CB 2.432 43.127 40.800 -0.175 0.000 1.388 250 D HN 0.371 nan 8.370 nan 0.000 0.475 251 V N 4.199 123.960 119.914 -0.254 0.000 2.490 251 V HA -0.145 3.965 4.120 -0.017 0.000 0.250 251 V C 2.122 178.148 176.094 -0.112 0.000 1.061 251 V CA 2.119 64.317 62.300 -0.171 0.000 1.064 251 V CB -0.376 31.382 31.823 -0.107 0.000 0.670 251 V HN 0.629 nan 8.190 nan 0.000 0.461 252 R N -0.530 119.970 120.500 0.000 0.000 2.057 252 R HA -0.050 4.280 4.340 -0.017 0.000 0.224 252 R C 2.205 178.444 176.300 -0.102 0.000 1.136 252 R CA 1.629 57.717 56.100 -0.021 0.000 0.968 252 R CB -0.183 30.072 30.300 -0.075 0.000 0.863 252 R HN 0.578 nan 8.270 nan 0.000 0.433 253 E N -0.523 119.592 120.200 -0.142 0.000 2.299 253 E HA 0.120 4.459 4.350 -0.017 0.000 0.193 253 E C 0.743 177.141 176.600 -0.337 0.000 0.998 253 E CA 0.391 56.697 56.400 -0.157 0.000 0.851 253 E CB 0.463 30.117 29.700 -0.076 0.000 0.795 253 E HN 0.563 nan 8.360 nan 0.000 0.492 254 G N 0.780 109.168 108.800 -0.686 0.000 2.488 254 G HA2 -0.296 3.654 3.960 -0.017 0.000 0.237 254 G HA3 -0.296 3.654 3.960 -0.017 0.000 0.237 254 G C -0.117 174.150 174.900 -1.055 0.000 1.209 254 G CA -0.363 43.992 45.100 -1.241 0.000 0.929 254 G HN 0.105 nan 8.290 nan 0.000 0.578 255 V N 0.674 120.141 119.914 -0.744 0.000 2.540 255 V HA 0.394 4.503 4.120 -0.017 0.000 0.297 255 V C 0.799 176.810 176.094 -0.137 0.000 1.024 255 V CA 0.290 62.485 62.300 -0.175 0.000 1.105 255 V CB 0.891 32.806 31.823 0.153 0.000 0.938 255 V HN 0.883 nan 8.190 nan 0.000 0.482 256 V N 6.903 126.686 119.914 -0.219 0.000 2.540 256 V HA 0.466 4.575 4.120 -0.017 0.000 0.302 256 V C -0.175 175.608 176.094 -0.517 0.000 1.035 256 V CA -0.645 61.435 62.300 -0.366 0.000 0.873 256 V CB 1.936 33.562 31.823 -0.327 0.000 0.992 256 V HN 0.607 nan 8.190 nan 0.000 0.428 257 L N 5.067 125.859 121.223 -0.718 0.000 2.295 257 L HA 0.616 4.946 4.340 -0.017 0.000 0.285 257 L C -0.426 176.056 176.870 -0.647 0.000 1.035 257 L CA -0.541 53.911 54.840 -0.647 0.000 0.806 257 L CB 0.964 42.557 42.059 -0.777 0.000 1.214 257 L HN 0.609 nan 8.230 nan 0.000 0.426 258 H N 3.661 122.574 119.070 -0.261 0.000 2.569 258 H HA 0.274 4.819 4.556 -0.017 0.000 0.357 258 H C -0.205 174.931 175.328 -0.319 0.000 1.153 258 H CA -0.718 55.160 56.048 -0.284 0.000 1.193 258 H CB 1.909 31.478 29.762 -0.322 0.000 1.602 258 H HN 0.552 nan 8.280 nan 0.000 0.523 259 N N 1.508 120.087 118.700 -0.201 0.000 2.705 259 N HA -0.200 4.529 4.740 -0.017 0.000 0.255 259 N C -0.354 175.099 175.510 -0.094 0.000 1.008 259 N CA 0.503 53.438 53.050 -0.192 0.000 0.742 259 N CB -1.285 37.032 38.487 -0.283 0.000 0.906 259 N HN 0.546 nan 8.380 nan 0.000 0.541 260 I N 0.519 121.040 120.570 -0.083 0.000 2.505 260 I HA 0.265 4.424 4.170 -0.017 0.000 0.287 260 I C 0.990 177.171 176.117 0.107 0.000 1.104 260 I CA 0.152 61.466 61.300 0.023 0.000 1.387 260 I CB 0.567 38.557 38.000 -0.016 0.000 1.404 260 I HN 0.337 nan 8.210 nan 0.000 0.528 261 A N 6.887 129.832 122.820 0.208 0.000 2.515 261 A HA 0.783 5.093 4.320 -0.017 0.000 0.296 261 A C -1.550 176.179 177.584 0.241 0.000 1.094 261 A CA -0.444 51.704 52.037 0.185 0.000 0.718 261 A CB 1.516 20.577 19.000 0.101 0.000 1.307 261 A HN 0.520 nan 8.150 nan 0.000 0.408 262 F N 0.564 120.514 119.950 -0.000 0.000 2.518 262 F HA 0.649 5.166 4.527 -0.017 0.000 0.323 262 F C 0.242 176.053 175.800 0.018 0.000 1.129 262 F CA -0.599 57.328 58.000 -0.122 0.000 0.920 262 F CB 1.771 40.643 39.000 -0.213 0.000 1.160 262 F HN 0.553 nan 8.300 nan 0.000 0.440 263 R N 3.976 124.382 120.500 -0.157 0.000 2.325 263 R HA 0.151 4.481 4.340 -0.017 0.000 0.323 263 R C -1.168 175.210 176.300 0.130 0.000 1.177 263 R CA -0.048 56.042 56.100 -0.017 0.000 1.018 263 R CB -0.489 29.747 30.300 -0.107 0.000 1.070 263 R HN 0.475 nan 8.270 nan 0.000 0.495 264 D N 3.775 124.346 120.400 0.284 0.000 2.456 264 D HA 0.358 4.987 4.640 -0.017 0.000 0.219 264 D C 0.878 177.272 176.300 0.157 0.000 1.126 264 D CA 1.018 55.219 54.000 0.335 0.000 0.890 264 D CB 0.508 41.542 40.800 0.390 0.000 1.025 264 D HN 0.655 nan 8.370 nan 0.000 0.511 265 G N 4.754 113.620 108.800 0.110 0.000 2.557 265 G HA2 -0.350 3.600 3.960 -0.017 0.000 0.292 265 G HA3 -0.350 3.600 3.960 -0.017 0.000 0.292 265 G C 0.858 175.781 174.900 0.038 0.000 1.162 265 G CA 0.378 45.513 45.100 0.059 0.000 0.964 265 G HN 0.516 nan 8.290 nan 0.000 0.541 266 D N 1.772 122.191 120.400 0.031 0.000 2.271 266 D HA 0.058 4.688 4.640 -0.017 0.000 0.206 266 D C 1.626 177.939 176.300 0.023 0.000 0.967 266 D CA 0.985 54.997 54.000 0.020 0.000 0.867 266 D CB 0.074 40.881 40.800 0.013 0.000 0.960 266 D HN 0.712 nan 8.370 nan 0.000 0.509 267 R N 0.983 121.502 120.500 0.031 0.000 2.349 267 R HA 0.411 4.740 4.340 -0.017 0.000 0.299 267 R C -0.405 175.927 176.300 0.053 0.000 1.027 267 R CA -0.761 55.357 56.100 0.029 0.000 0.958 267 R CB 1.288 31.594 30.300 0.011 0.000 1.047 267 R HN -0.157 nan 8.270 nan 0.000 0.468 268 L N 3.613 124.862 121.223 0.044 0.000 2.283 268 L HA 0.288 4.618 4.340 -0.017 0.000 0.287 268 L C -0.469 176.442 176.870 0.070 0.000 1.073 268 L CA -0.238 54.638 54.840 0.061 0.000 0.822 268 L CB 0.524 42.610 42.059 0.044 0.000 1.186 268 L HN 0.626 nan 8.230 nan 0.000 0.436 269 R N 6.324 126.902 120.500 0.130 0.000 2.255 269 R HA 0.443 4.773 4.340 -0.017 0.000 0.326 269 R C -2.330 174.071 176.300 0.168 0.000 0.986 269 R CA -1.785 54.399 56.100 0.140 0.000 0.847 269 R CB 0.748 31.153 30.300 0.175 0.000 1.111 269 R HN 0.469 nan 8.270 nan 0.000 0.452 270 P HA 0.084 nan 4.420 nan 0.000 0.271 270 P C -0.028 177.282 177.300 0.016 0.000 1.218 270 P CA 0.190 63.286 63.100 -0.008 0.000 0.780 270 P CB 0.827 32.443 31.700 -0.139 0.000 0.901 271 I N 0.979 121.502 120.570 -0.080 0.000 3.746 271 I HA 0.243 4.403 4.170 -0.017 0.000 0.262 271 I C 0.462 176.451 176.117 -0.214 0.000 1.153 271 I CA 0.292 61.453 61.300 -0.233 0.000 1.395 271 I CB 0.332 38.087 38.000 -0.410 0.000 1.589 271 I HN 0.139 nan 8.210 nan 0.000 0.441 272 I N 1.585 122.058 120.570 -0.161 0.000 2.478 272 I HA 0.160 4.320 4.170 -0.017 0.000 0.287 272 I C 0.628 176.664 176.117 -0.134 0.000 1.042 272 I CA -0.227 60.988 61.300 -0.142 0.000 1.067 272 I CB 2.067 39.984 38.000 -0.139 0.000 1.233 272 I HN 0.137 nan 8.210 nan 0.000 0.431 273 N N 5.595 124.232 118.700 -0.105 0.000 2.142 273 N HA -0.004 4.725 4.740 -0.017 0.000 0.186 273 N C 0.573 176.039 175.510 -0.074 0.000 1.023 273 N CA 1.087 54.099 53.050 -0.063 0.000 0.852 273 N CB 0.511 39.060 38.487 0.103 0.000 0.998 273 N HN 0.538 nan 8.380 nan 0.000 0.424 274 R N -0.170 120.264 120.500 -0.110 0.000 2.548 274 R HA 0.483 4.813 4.340 -0.017 0.000 0.280 274 R C -2.046 174.093 176.300 -0.269 0.000 1.061 274 R CA -0.506 55.470 56.100 -0.206 0.000 0.915 274 R CB 1.927 32.162 30.300 -0.108 0.000 1.210 274 R HN 0.080 nan 8.270 nan 0.000 0.442 275 A N 2.304 124.879 122.820 -0.408 0.000 2.343 275 A HA 0.710 5.019 4.320 -0.017 0.000 0.308 275 A C -0.998 176.333 177.584 -0.422 0.000 1.092 275 A CA -0.455 51.338 52.037 -0.407 0.000 0.751 275 A CB 1.505 20.127 19.000 -0.630 0.000 1.203 275 A HN 0.796 nan 8.150 nan 0.000 0.452 276 S N 1.413 117.042 115.700 -0.120 0.000 2.615 276 S HA 0.687 5.146 4.470 -0.017 0.000 0.269 276 S C -1.121 173.577 174.600 0.162 0.000 1.161 276 S CA -0.710 57.504 58.200 0.023 0.000 0.817 276 S CB 0.956 64.103 63.200 -0.088 0.000 1.131 276 S HN 0.538 nan 8.310 nan 0.000 0.467 277 I N 2.269 122.941 120.570 0.169 0.000 2.282 277 I HA 0.387 4.546 4.170 -0.017 0.000 0.290 277 I C 1.340 177.525 176.117 0.114 0.000 1.090 277 I CA -0.495 60.893 61.300 0.146 0.000 1.231 277 I CB 0.224 38.361 38.000 0.227 0.000 1.434 277 I HN 0.982 nan 8.210 nan 0.000 0.487 278 A N 5.114 127.993 122.820 0.098 0.000 2.167 278 A HA 0.070 4.379 4.320 -0.017 0.000 0.214 278 A C 0.757 178.399 177.584 0.096 0.000 1.151 278 A CA 0.978 53.101 52.037 0.144 0.000 0.735 278 A CB 0.084 19.189 19.000 0.174 0.000 0.802 278 A HN 0.658 nan 8.150 nan 0.000 0.467 279 E N -1.675 118.523 120.200 -0.003 0.000 2.389 279 E HA 0.547 4.886 4.350 -0.017 0.000 0.281 279 E C -1.102 175.490 176.600 -0.015 0.000 1.072 279 E CA -0.353 56.008 56.400 -0.066 0.000 0.845 279 E CB 0.895 30.385 29.700 -0.349 0.000 1.239 279 E HN 0.466 nan 8.360 nan 0.000 0.434 280 M N 2.013 121.626 119.600 0.022 0.000 2.284 280 M HA 0.672 5.142 4.480 -0.017 0.000 0.281 280 M C -1.826 174.393 176.300 -0.134 0.000 1.083 280 M CA -0.970 54.228 55.300 -0.170 0.000 0.965 280 M CB 1.900 34.263 32.600 -0.395 0.000 1.717 280 M HN 0.267 nan 8.290 nan 0.000 0.479 281 V N 3.698 123.464 119.914 -0.246 0.000 2.680 281 V HA 0.818 4.927 4.120 -0.017 0.000 0.309 281 V C -1.302 174.544 176.094 -0.414 0.000 1.052 281 V CA -0.490 61.541 62.300 -0.447 0.000 0.908 281 V CB 2.370 33.750 31.823 -0.739 0.000 1.001 281 V HN 0.811 nan 8.190 nan 0.000 0.431 282 V N 8.564 128.267 119.914 -0.352 0.000 2.276 282 V HA 0.413 4.523 4.120 -0.017 0.000 0.268 282 V C -2.399 173.461 176.094 -0.390 0.000 1.032 282 V CA -1.315 60.781 62.300 -0.340 0.000 0.810 282 V CB 1.300 33.060 31.823 -0.104 0.000 1.060 282 V HN 0.821 nan 8.190 nan 0.000 0.446 283 P HA 0.346 nan 4.420 nan 0.000 0.285 283 P C -1.220 175.844 177.300 -0.393 0.000 1.259 283 P CA -0.344 62.553 63.100 -0.338 0.000 0.794 283 P CB 1.119 32.645 31.700 -0.291 0.000 0.940 284 Y N 0.402 120.537 120.300 -0.275 0.000 2.387 284 Y HA 0.484 5.023 4.550 -0.017 0.000 0.330 284 Y C 1.766 177.593 175.900 -0.123 0.000 1.133 284 Y CA 0.057 58.042 58.100 -0.191 0.000 1.152 284 Y CB 1.543 39.820 38.460 -0.305 0.000 1.215 284 Y HN 0.476 nan 8.280 nan 0.000 0.466 285 G N 0.892 109.724 108.800 0.053 0.000 3.690 285 G HA2 -0.008 3.942 3.960 -0.017 0.000 0.283 285 G HA3 -0.008 3.942 3.960 -0.017 0.000 0.283 285 G C -0.753 174.174 174.900 0.045 0.000 1.057 285 G CA -0.159 44.976 45.100 0.057 0.000 0.821 285 G HN 0.517 nan 8.290 nan 0.000 0.526 286 D N 1.320 121.731 120.400 0.017 0.000 2.313 286 D HA 0.249 4.879 4.640 -0.017 0.000 0.239 286 D C -1.213 175.054 176.300 -0.055 0.000 1.142 286 D CA -2.393 51.582 54.000 -0.042 0.000 0.847 286 D CB 2.189 42.963 40.800 -0.044 0.000 1.082 286 D HN 0.040 nan 8.370 nan 0.000 0.480 287 P HA -0.019 nan 4.420 nan 0.000 0.247 287 P C 0.236 177.520 177.300 -0.027 0.000 1.225 287 P CA -0.073 63.009 63.100 -0.030 0.000 0.768 287 P CB 0.065 31.759 31.700 -0.010 0.000 1.020 288 S N 2.514 118.191 115.700 -0.039 0.000 2.533 288 S HA 0.132 4.592 4.470 -0.017 0.000 0.282 288 S C -0.917 173.685 174.600 0.004 0.000 1.304 288 S CA -1.201 56.991 58.200 -0.014 0.000 1.063 288 S CB 0.305 63.481 63.200 -0.039 0.000 0.881 288 S HN 0.010 nan 8.310 nan 0.000 0.493 289 P HA -0.121 nan 4.420 nan 0.000 0.223 289 P C 1.372 178.817 177.300 0.242 0.000 1.144 289 P CA 0.727 63.909 63.100 0.137 0.000 0.783 289 P CB -0.063 31.723 31.700 0.144 0.000 0.771 290 I N -0.237 120.435 120.570 0.170 0.000 2.394 290 I HA -0.102 4.057 4.170 -0.017 0.000 0.251 290 I C 2.178 178.436 176.117 0.235 0.000 1.136 290 I CA 1.345 62.792 61.300 0.246 0.000 1.425 290 I CB -1.038 37.017 38.000 0.091 0.000 1.079 290 I HN 0.036 nan 8.210 nan 0.000 0.425 291 R N -0.577 119.848 120.500 -0.125 0.000 2.531 291 R HA 0.099 4.429 4.340 -0.017 0.000 0.316 291 R C 1.929 177.765 176.300 -0.773 0.000 0.955 291 R CA 0.463 56.203 56.100 -0.600 0.000 1.120 291 R CB 0.318 30.395 30.300 -0.373 0.000 1.361 291 R HN 0.275 nan 8.270 nan 0.000 0.534 292 S N 0.685 116.125 115.700 -0.433 0.000 2.500 292 S HA -0.108 4.352 4.470 -0.017 0.000 0.239 292 S C 1.358 175.712 174.600 -0.409 0.000 0.989 292 S CA 0.373 58.384 58.200 -0.316 0.000 0.951 292 S CB -0.365 62.753 63.200 -0.137 0.000 0.759 292 S HN 0.599 nan 8.310 nan 0.000 0.523 293 W N 0.426 121.512 121.300 -0.357 0.000 3.211 293 W HA 0.394 5.043 4.660 -0.017 0.000 0.292 293 W C 0.448 176.904 176.519 -0.105 0.000 1.268 293 W CA -0.704 56.273 57.345 -0.612 0.000 1.702 293 W CB -0.623 28.401 29.460 -0.727 0.000 1.092 293 W HN 0.264 nan 8.180 nan 0.000 0.643 294 Q N 2.875 122.137 119.800 -0.896 0.000 2.263 294 Q HA 0.089 4.419 4.340 -0.017 0.000 0.270 294 Q C -0.739 174.964 176.000 -0.495 0.000 1.104 294 Q CA 0.739 56.004 55.803 -0.897 0.000 0.909 294 Q CB 0.107 28.061 28.738 -1.306 0.000 1.214 294 Q HN 0.044 nan 8.270 nan 0.000 0.400 295 N N 4.445 122.870 118.700 -0.458 0.000 2.616 295 N HA 0.128 4.857 4.740 -0.017 0.000 0.281 295 N C -1.936 173.405 175.510 -0.281 0.000 1.145 295 N CA -0.439 52.395 53.050 -0.361 0.000 0.919 295 N CB 1.076 39.511 38.487 -0.088 0.000 1.509 295 N HN 0.375 nan 8.380 nan 0.000 0.537 296 Y N 1.119 121.456 120.300 0.062 0.000 2.353 296 Y HA 0.432 4.971 4.550 -0.017 0.000 0.340 296 Y C 0.060 176.013 175.900 0.088 0.000 0.972 296 Y CA -0.874 57.365 58.100 0.230 0.000 1.157 296 Y CB 0.418 39.058 38.460 0.300 0.000 1.157 296 Y HN 0.348 nan 8.280 nan 0.000 0.495 297 F N 3.436 123.588 119.950 0.335 0.000 2.499 297 F HA 0.211 4.727 4.527 -0.017 0.000 0.353 297 F C 1.228 177.206 175.800 0.297 0.000 1.196 297 F CA -0.480 57.644 58.000 0.206 0.000 1.244 297 F CB 0.187 39.253 39.000 0.109 0.000 1.577 297 F HN 0.581 nan 8.300 nan 0.000 0.614 298 D N 0.635 121.297 120.400 0.437 0.000 2.172 298 D HA -0.170 4.459 4.640 -0.017 0.000 0.196 298 D C 1.908 178.448 176.300 0.399 0.000 0.999 298 D CA 1.839 56.128 54.000 0.481 0.000 0.856 298 D CB 0.153 41.112 40.800 0.266 0.000 0.934 298 D HN 0.393 nan 8.370 nan 0.000 0.453 299 T N -0.283 114.424 114.554 0.255 0.000 2.814 299 T HA 0.004 4.343 4.350 -0.017 0.000 0.254 299 T C 1.997 176.743 174.700 0.077 0.000 1.037 299 T CA 1.231 63.422 62.100 0.152 0.000 1.143 299 T CB -0.460 68.458 68.868 0.083 0.000 0.866 299 T HN 0.213 nan 8.240 nan 0.000 0.431 300 G N 0.962 109.799 108.800 0.062 0.000 2.403 300 G HA2 -0.112 3.837 3.960 -0.017 0.000 0.216 300 G HA3 -0.112 3.837 3.960 -0.017 0.000 0.216 300 G C 1.459 176.330 174.900 -0.048 0.000 1.154 300 G CA 0.522 45.569 45.100 -0.089 0.000 0.784 300 G HN 0.482 nan 8.290 nan 0.000 0.538 301 E N -1.029 119.199 120.200 0.047 0.000 2.127 301 E HA 0.076 4.416 4.350 -0.017 0.000 0.191 301 E C 1.923 178.466 176.600 -0.094 0.000 0.964 301 E CA 0.436 56.786 56.400 -0.085 0.000 0.832 301 E CB 0.032 29.626 29.700 -0.177 0.000 0.790 301 E HN 0.605 nan 8.360 nan 0.000 0.465 302 Y N -0.059 120.406 120.300 0.275 0.000 2.503 302 Y HA 0.260 4.800 4.550 -0.017 0.000 0.277 302 Y C 0.080 176.198 175.900 0.364 0.000 1.102 302 Y CA -0.049 58.285 58.100 0.390 0.000 1.261 302 Y CB 0.563 39.294 38.460 0.451 0.000 1.096 302 Y HN -0.161 nan 8.280 nan 0.000 0.546 303 L N 0.785 122.226 121.223 0.364 0.000 2.805 303 L HA -0.198 4.131 4.340 -0.017 0.000 0.688 303 L C 1.056 178.069 176.870 0.237 0.000 1.050 303 L CA -0.084 54.877 54.840 0.202 0.000 1.362 303 L CB -1.696 40.438 42.059 0.125 0.000 1.968 303 L HN 0.174 nan 8.230 nan 0.000 0.923 304 V N -0.644 119.421 119.914 0.253 0.000 2.453 304 V HA -0.169 3.940 4.120 -0.017 0.000 0.252 304 V C 2.197 178.456 176.094 0.275 0.000 1.068 304 V CA 2.326 64.820 62.300 0.324 0.000 1.070 304 V CB -0.636 31.352 31.823 0.276 0.000 0.664 304 V HN 0.842 nan 8.190 nan 0.000 0.461 305 G N 1.040 109.867 108.800 0.046 0.000 2.422 305 G HA2 -0.271 3.679 3.960 -0.017 0.000 0.218 305 G HA3 -0.271 3.679 3.960 -0.017 0.000 0.218 305 G C 1.568 176.577 174.900 0.182 0.000 1.146 305 G CA 0.901 45.990 45.100 -0.018 0.000 0.769 305 G HN 0.814 nan 8.290 nan 0.000 0.547 306 Q N -0.905 118.874 119.800 -0.036 0.000 2.291 306 Q HA -0.062 4.267 4.340 -0.017 0.000 0.205 306 Q C 1.213 177.074 176.000 -0.232 0.000 0.970 306 Q CA 0.978 56.667 55.803 -0.189 0.000 0.876 306 Q CB -0.338 28.156 28.738 -0.406 0.000 0.935 306 Q HN 0.518 nan 8.270 nan 0.000 0.455 307 Y N 0.867 121.330 120.300 0.272 0.000 2.532 307 Y HA 0.474 5.014 4.550 -0.017 0.000 0.283 307 Y C 0.659 176.741 175.900 0.303 0.000 1.181 307 Y CA -0.822 57.434 58.100 0.261 0.000 1.256 307 Y CB -0.179 38.428 38.460 0.244 0.000 1.112 307 Y HN 0.165 nan 8.280 nan 0.000 0.521 308 A N 0.966 124.046 122.820 0.433 0.000 2.511 308 A HA 0.091 4.400 4.320 -0.017 0.000 0.242 308 A C 0.317 178.104 177.584 0.338 0.000 1.069 308 A CA -0.273 52.056 52.037 0.486 0.000 0.763 308 A CB -0.285 19.018 19.000 0.505 0.000 1.001 308 A HN 0.605 nan 8.150 nan 0.000 0.498 309 N N 0.827 119.729 118.700 0.337 0.000 2.445 309 N HA 0.322 5.052 4.740 -0.017 0.000 0.264 309 N C -0.375 175.238 175.510 0.172 0.000 1.227 309 N CA -0.382 52.804 53.050 0.227 0.000 0.963 309 N CB 0.653 39.258 38.487 0.196 0.000 1.188 309 N HN 0.530 nan 8.380 nan 0.000 0.491 310 S N 1.040 116.802 115.700 0.102 0.000 2.465 310 S HA 0.227 4.687 4.470 -0.017 0.000 0.279 310 S C -0.048 174.584 174.600 0.053 0.000 1.201 310 S CA -0.624 57.604 58.200 0.047 0.000 1.053 310 S CB 0.027 63.228 63.200 0.002 0.000 0.953 310 S HN 0.261 nan 8.310 nan 0.000 0.488 311 L N 3.327 124.598 121.223 0.080 0.000 2.290 311 L HA 0.387 4.717 4.340 -0.017 0.000 0.284 311 L C 0.344 177.262 176.870 0.080 0.000 1.078 311 L CA -0.610 54.309 54.840 0.132 0.000 0.815 311 L CB 0.478 42.706 42.059 0.280 0.000 1.162 311 L HN 0.445 nan 8.230 nan 0.000 0.435 312 E N 2.419 122.657 120.200 0.064 0.000 2.259 312 E HA 0.269 4.609 4.350 -0.017 0.000 0.281 312 E C -0.636 176.028 176.600 0.107 0.000 1.027 312 E CA -0.582 55.846 56.400 0.046 0.000 0.838 312 E CB 1.197 30.907 29.700 0.016 0.000 1.066 312 E HN 0.215 nan 8.360 nan 0.000 0.401 313 L N 3.065 124.364 121.223 0.126 0.000 2.455 313 L HA 0.290 4.620 4.340 -0.017 0.000 0.272 313 L C 1.438 178.351 176.870 0.073 0.000 1.174 313 L CA 1.915 56.846 54.840 0.153 0.000 0.869 313 L CB 0.261 42.421 42.059 0.168 0.000 1.130 313 L HN 0.745 nan 8.230 nan 0.000 0.474 314 G N 2.094 110.924 108.800 0.050 0.000 2.383 314 G HA2 -0.355 3.594 3.960 -0.017 0.000 0.229 314 G HA3 -0.355 3.594 3.960 -0.017 0.000 0.229 314 G C 1.042 175.952 174.900 0.016 0.000 1.089 314 G CA 0.374 45.489 45.100 0.025 0.000 0.640 314 G HN 0.740 nan 8.290 nan 0.000 0.510 315 C N 0.301 119.613 119.300 0.020 0.000 2.602 315 C HA 0.262 4.711 4.460 -0.017 0.000 0.282 315 C C 2.336 177.326 174.990 -0.001 0.000 1.313 315 C CA 1.520 60.539 59.018 0.002 0.000 1.699 315 C CB -0.772 26.965 27.740 -0.006 0.000 2.124 315 C HN 0.579 nan 8.230 nan 0.000 0.509 316 D N -0.333 120.077 120.400 0.018 0.000 2.216 316 D HA 0.037 4.667 4.640 -0.017 0.000 0.208 316 D C 0.179 176.517 176.300 0.063 0.000 0.960 316 D CA 1.045 55.063 54.000 0.030 0.000 0.861 316 D CB 0.105 40.934 40.800 0.049 0.000 0.985 316 D HN 0.408 nan 8.370 nan 0.000 0.493 317 c N 1.941 120.564 118.600 0.039 0.000 2.455 317 c HA 0.436 4.995 4.570 -0.017 0.000 0.321 317 c C -0.280 173.746 174.090 -0.106 0.000 1.102 317 c CA -1.167 55.121 56.329 -0.067 0.000 1.413 317 c CB 0.500 42.942 42.510 -0.113 0.000 1.952 317 c HN 0.167 nan 8.230 nan 0.000 0.428 318 L N 4.245 125.397 121.223 -0.118 0.000 2.312 318 L HA 0.912 5.242 4.340 -0.017 0.000 0.281 318 L C 0.567 177.369 176.870 -0.114 0.000 1.070 318 L CA 1.908 56.704 54.840 -0.073 0.000 0.805 318 L CB 0.619 42.666 42.059 -0.020 0.000 1.174 318 L HN 1.068 nan 8.230 nan 0.000 0.434 319 G N 3.497 112.267 108.800 -0.051 0.000 2.396 319 G HA2 -0.136 3.813 3.960 -0.017 0.000 0.254 319 G HA3 -0.136 3.813 3.960 -0.017 0.000 0.254 319 G C -1.168 173.727 174.900 -0.008 0.000 1.248 319 G CA -0.271 44.821 45.100 -0.014 0.000 1.033 319 G HN 0.740 nan 8.290 nan 0.000 0.502 320 D N 1.338 121.762 120.400 0.040 0.000 2.393 320 D HA 0.434 5.063 4.640 -0.017 0.000 0.232 320 D C 0.248 176.587 176.300 0.065 0.000 1.192 320 D CA -0.161 53.869 54.000 0.050 0.000 0.882 320 D CB 0.145 40.983 40.800 0.064 0.000 1.038 320 D HN 0.371 nan 8.370 nan 0.000 0.499 321 I N 2.460 123.018 120.570 -0.020 0.000 2.412 321 I HA 0.240 4.400 4.170 -0.017 0.000 0.296 321 I C 0.600 176.661 176.117 -0.094 0.000 0.987 321 I CA -0.558 60.665 61.300 -0.128 0.000 1.180 321 I CB 1.596 39.324 38.000 -0.454 0.000 1.340 321 I HN 0.113 nan 8.210 nan 0.000 0.455 322 T N 5.985 120.531 114.554 -0.013 0.000 2.786 322 T HA 0.519 4.859 4.350 -0.017 0.000 0.283 322 T C -0.567 174.119 174.700 -0.024 0.000 0.992 322 T CA -0.298 61.854 62.100 0.087 0.000 0.954 322 T CB 0.535 69.583 68.868 0.300 0.000 0.934 322 T HN 0.171 nan 8.240 nan 0.000 0.440 323 Y N 2.015 122.374 120.300 0.097 0.000 2.376 323 Y HA 0.649 5.188 4.550 -0.017 0.000 0.325 323 Y C 0.255 176.180 175.900 0.042 0.000 1.199 323 Y CA -1.177 56.960 58.100 0.062 0.000 1.206 323 Y CB 1.017 39.502 38.460 0.041 0.000 1.229 323 Y HN 0.372 nan 8.280 nan 0.000 0.480 324 L N 1.304 122.649 121.223 0.203 0.000 2.362 324 L HA 0.515 4.845 4.340 -0.017 0.000 0.271 324 L C -0.631 176.255 176.870 0.028 0.000 1.002 324 L CA -0.670 54.221 54.840 0.085 0.000 0.818 324 L CB 2.003 44.083 42.059 0.035 0.000 1.298 324 L HN 0.524 nan 8.230 nan 0.000 0.420 325 S N 3.227 118.914 115.700 -0.021 0.000 2.426 325 S HA 0.341 4.800 4.470 -0.017 0.000 0.236 325 S C -2.356 172.167 174.600 -0.127 0.000 1.368 325 S CA -1.061 57.091 58.200 -0.080 0.000 1.154 325 S CB 0.735 63.905 63.200 -0.051 0.000 1.037 325 S HN 0.374 nan 8.310 nan 0.000 0.481 326 P HA 0.202 nan 4.420 nan 0.000 0.272 326 P C -0.717 176.487 177.300 -0.160 0.000 1.223 326 P CA -0.279 62.658 63.100 -0.272 0.000 0.784 326 P CB 0.725 31.994 31.700 -0.719 0.000 0.923 327 V N 3.977 123.861 119.914 -0.050 0.000 2.459 327 V HA 0.447 4.556 4.120 -0.017 0.000 0.295 327 V C 0.701 176.816 176.094 0.035 0.000 1.029 327 V CA -0.532 61.762 62.300 -0.010 0.000 0.874 327 V CB 1.173 33.000 31.823 0.007 0.000 0.985 327 V HN 0.487 nan 8.190 nan 0.000 0.438 328 I N 1.043 121.628 120.570 0.025 0.000 3.206 328 I HA 0.795 4.955 4.170 -0.017 0.000 0.313 328 I C -0.109 176.003 176.117 -0.007 0.000 1.103 328 I CA -0.692 60.624 61.300 0.027 0.000 0.985 328 I CB 2.261 40.285 38.000 0.041 0.000 1.240 328 I HN 0.504 nan 8.210 nan 0.000 0.464 329 S N 0.866 116.543 115.700 -0.038 0.000 2.585 329 S HA 0.370 4.829 4.470 -0.017 0.000 0.277 329 S C -0.577 173.993 174.600 -0.049 0.000 1.241 329 S CA -0.548 57.624 58.200 -0.047 0.000 1.041 329 S CB 0.716 63.871 63.200 -0.075 0.000 0.987 329 S HN 0.803 nan 8.310 nan 0.000 0.512 330 D N 2.403 122.784 120.400 -0.031 0.000 2.478 330 D HA 0.419 5.049 4.640 -0.017 0.000 0.274 330 D C 1.153 177.367 176.300 -0.143 0.000 1.234 330 D CA -0.170 53.800 54.000 -0.050 0.000 1.069 330 D CB -0.015 40.796 40.800 0.018 0.000 1.113 330 D HN 0.473 nan 8.370 nan 0.000 0.571 331 A N -1.232 121.405 122.820 -0.306 0.000 2.172 331 A HA -0.004 4.306 4.320 -0.017 0.000 0.216 331 A C 1.288 178.490 177.584 -0.637 0.000 1.154 331 A CA 0.696 52.427 52.037 -0.509 0.000 0.701 331 A CB -0.911 17.683 19.000 -0.676 0.000 0.789 331 A HN 0.441 nan 8.150 nan 0.000 0.465 332 F N -1.641 118.316 119.950 0.012 0.000 2.678 332 F HA 0.406 4.923 4.527 -0.017 0.000 0.305 332 F C 1.741 177.536 175.800 -0.009 0.000 1.090 332 F CA 0.057 58.060 58.000 0.005 0.000 1.272 332 F CB 0.133 39.136 39.000 0.005 0.000 1.060 332 F HN 0.288 nan 8.300 nan 0.000 0.576 333 G N 0.563 109.405 108.800 0.071 0.000 2.175 333 G HA2 -0.286 3.663 3.960 -0.017 0.000 0.244 333 G HA3 -0.286 3.663 3.960 -0.017 0.000 0.244 333 G C -0.028 174.886 174.900 0.023 0.000 0.982 333 G CA -0.276 44.840 45.100 0.026 0.000 0.641 333 G HN 0.430 nan 8.290 nan 0.000 0.527 334 N N 2.477 121.216 118.700 0.065 0.000 2.518 334 N HA 0.516 5.245 4.740 -0.017 0.000 0.283 334 N C -2.333 173.187 175.510 0.018 0.000 1.119 334 N CA -1.214 51.862 53.050 0.044 0.000 0.983 334 N CB 1.531 40.065 38.487 0.078 0.000 1.139 334 N HN 0.131 nan 8.380 nan 0.000 0.465 335 P HA 0.077 nan 4.420 nan 0.000 0.271 335 P C -1.058 176.246 177.300 0.007 0.000 1.216 335 P CA 0.050 63.147 63.100 -0.005 0.000 0.776 335 P CB 0.888 32.581 31.700 -0.013 0.000 0.881 336 R N 1.701 122.204 120.500 0.005 0.000 2.514 336 R HA 0.253 4.583 4.340 -0.017 0.000 0.296 336 R C -0.559 175.740 176.300 -0.003 0.000 1.012 336 R CA -0.595 55.511 56.100 0.009 0.000 0.897 336 R CB 1.540 31.849 30.300 0.016 0.000 1.184 336 R HN 0.480 nan 8.270 nan 0.000 0.440 337 E N 5.328 125.522 120.200 -0.009 0.000 2.266 337 E HA 0.203 4.542 4.350 -0.017 0.000 0.277 337 E C -0.752 175.826 176.600 -0.037 0.000 1.018 337 E CA -0.560 55.823 56.400 -0.029 0.000 0.840 337 E CB 0.995 30.679 29.700 -0.027 0.000 1.082 337 E HN 0.561 nan 8.360 nan 0.000 0.395 338 I N 4.739 125.263 120.570 -0.076 0.000 2.310 338 I HA 0.209 4.369 4.170 -0.017 0.000 0.287 338 I C 0.192 176.258 176.117 -0.084 0.000 1.073 338 I CA -0.637 60.619 61.300 -0.074 0.000 1.216 338 I CB 0.525 38.444 38.000 -0.134 0.000 1.415 338 I HN 0.386 nan 8.210 nan 0.000 0.480 339 R N 6.098 126.562 120.500 -0.059 0.000 2.484 339 R HA 0.032 4.362 4.340 -0.017 0.000 0.293 339 R C 0.447 176.681 176.300 -0.110 0.000 1.023 339 R CA 0.438 56.489 56.100 -0.081 0.000 1.037 339 R CB -0.036 30.219 30.300 -0.074 0.000 0.951 339 R HN 0.557 nan 8.270 nan 0.000 0.418 340 N N 2.363 120.975 118.700 -0.146 0.000 2.727 340 N HA -0.178 4.551 4.740 -0.017 0.000 0.249 340 N C 0.487 176.010 175.510 0.022 0.000 1.048 340 N CA 1.262 54.189 53.050 -0.205 0.000 0.714 340 N CB -1.238 36.838 38.487 -0.684 0.000 0.959 340 N HN 0.860 nan 8.380 nan 0.000 0.544 341 G N -1.071 107.736 108.800 0.013 0.000 2.623 341 G HA2 0.239 4.189 3.960 -0.017 0.000 0.214 341 G HA3 0.239 4.189 3.960 -0.017 0.000 0.214 341 G C 0.530 175.509 174.900 0.131 0.000 1.138 341 G CA 0.230 45.352 45.100 0.036 0.000 0.794 341 G HN 0.448 nan 8.290 nan 0.000 0.535 342 I N 0.214 120.874 120.570 0.150 0.000 2.498 342 I HA 0.312 4.471 4.170 -0.017 0.000 0.290 342 I C -0.833 175.400 176.117 0.194 0.000 1.032 342 I CA -0.900 60.505 61.300 0.174 0.000 1.073 342 I CB 2.557 40.599 38.000 0.070 0.000 1.251 342 I HN -0.199 nan 8.210 nan 0.000 0.426 343 c N 6.816 125.493 118.600 0.127 0.000 2.355 343 c HA 0.673 5.233 4.570 -0.017 0.000 0.332 343 c C 0.030 174.122 174.090 0.003 0.000 1.255 343 c CA -0.510 55.802 56.329 -0.028 0.000 1.792 343 c CB 0.697 43.206 42.510 -0.001 0.000 2.300 343 c HN 0.653 nan 8.230 nan 0.000 0.515 344 M N 5.820 125.388 119.600 -0.053 0.000 2.263 344 M HA 0.502 4.972 4.480 -0.017 0.000 0.295 344 M C -0.579 175.709 176.300 -0.020 0.000 1.028 344 M CA -0.110 55.104 55.300 -0.143 0.000 0.921 344 M CB 1.688 34.144 32.600 -0.239 0.000 1.601 344 M HN 0.948 nan 8.290 nan 0.000 0.440 345 H N 1.035 119.907 119.070 -0.329 0.000 2.950 345 H HA 0.507 5.052 4.556 -0.017 0.000 0.307 345 H C -2.065 173.140 175.328 -0.205 0.000 1.403 345 H CA -1.093 54.912 56.048 -0.072 0.000 1.145 345 H CB 1.043 30.812 29.762 0.011 0.000 1.844 345 H HN 0.717 nan 8.280 nan 0.000 0.515 346 E N 0.858 121.053 120.200 -0.007 0.000 2.212 346 E HA 0.510 4.850 4.350 -0.017 0.000 0.268 346 E C -1.020 175.593 176.600 0.023 0.000 0.902 346 E CA -0.982 55.322 56.400 -0.161 0.000 0.779 346 E CB 2.741 32.512 29.700 0.119 0.000 1.172 346 E HN 0.693 nan 8.360 nan 0.000 0.409 347 E N 1.923 122.102 120.200 -0.035 0.000 2.288 347 E HA 0.278 4.617 4.350 -0.017 0.000 0.268 347 E C -1.258 175.462 176.600 0.199 0.000 0.885 347 E CA -1.081 55.388 56.400 0.115 0.000 0.767 347 E CB 1.639 31.412 29.700 0.121 0.000 1.220 347 E HN 0.536 nan 8.360 nan 0.000 0.427 348 D N 1.523 122.055 120.400 0.221 0.000 2.443 348 D HA -0.088 4.541 4.640 -0.017 0.000 0.239 348 D C -0.961 175.552 176.300 0.356 0.000 1.136 348 D CA 0.137 54.279 54.000 0.235 0.000 0.879 348 D CB 0.525 41.412 40.800 0.145 0.000 1.195 348 D HN 0.539 nan 8.370 nan 0.000 0.443 349 W N 5.898 127.244 121.300 0.076 0.000 1.340 349 W HA 0.374 5.023 4.660 -0.018 0.000 0.301 349 W C 0.282 176.836 176.519 0.058 0.000 0.834 349 W CA 0.095 57.484 57.345 0.073 0.000 2.473 349 W CB 0.074 29.625 29.460 0.153 0.000 1.837 349 W HN 0.846 nan 8.180 nan 0.000 0.528 350 G N 1.965 110.701 108.800 -0.106 0.000 2.552 350 G HA2 -0.326 3.624 3.960 -0.017 0.000 0.265 350 G HA3 -0.326 3.624 3.960 -0.017 0.000 0.265 350 G C -0.471 174.407 174.900 -0.036 0.000 1.234 350 G CA -0.026 44.986 45.100 -0.146 0.000 0.944 350 G HN 0.079 nan 8.290 nan 0.000 0.568 351 I N 1.408 121.947 120.570 -0.051 0.000 2.395 351 I HA 0.290 4.450 4.170 -0.017 0.000 0.289 351 I C 1.531 177.670 176.117 0.037 0.000 1.023 351 I CA -0.207 61.088 61.300 -0.008 0.000 1.350 351 I CB 0.889 38.875 38.000 -0.022 0.000 1.409 351 I HN 0.637 nan 8.210 nan 0.000 0.507 352 L N 6.420 127.681 121.223 0.063 0.000 2.145 352 L HA 0.452 4.781 4.340 -0.017 0.000 0.201 352 L C 0.634 177.555 176.870 0.085 0.000 1.075 352 L CA 1.086 55.984 54.840 0.096 0.000 0.773 352 L CB 0.119 42.245 42.059 0.111 0.000 0.936 352 L HN 0.708 nan 8.230 nan 0.000 0.451 353 A N -0.544 122.330 122.820 0.090 0.000 2.566 353 A HA 0.653 4.962 4.320 -0.017 0.000 0.297 353 A C -1.105 176.579 177.584 0.167 0.000 1.059 353 A CA -0.612 51.509 52.037 0.139 0.000 0.691 353 A CB 1.114 20.241 19.000 0.212 0.000 1.282 353 A HN 0.059 nan 8.150 nan 0.000 0.401 354 K N 0.834 121.345 120.400 0.185 0.000 2.542 354 K HA 0.607 4.917 4.320 -0.017 0.000 0.259 354 K C -2.133 174.618 176.600 0.252 0.000 0.932 354 K CA -0.542 55.863 56.287 0.197 0.000 0.820 354 K CB 1.838 34.389 32.500 0.086 0.000 1.345 354 K HN 1.071 nan 8.250 nan 0.000 0.432 355 H N 0.178 119.328 119.070 0.133 0.000 3.137 355 H HA 0.346 4.891 4.556 -0.018 0.000 0.336 355 H C -1.956 173.402 175.328 0.050 0.000 1.055 355 H CA -0.380 55.702 56.048 0.056 0.000 1.349 355 H CB 1.774 31.545 29.762 0.015 0.000 1.939 355 H HN 0.416 nan 8.280 nan 0.000 0.487 356 S N 4.148 119.528 115.700 -0.535 0.000 2.520 356 S HA 0.164 4.624 4.470 -0.017 0.000 0.324 356 S C -0.761 173.420 174.600 -0.699 0.000 1.069 356 S CA -0.677 57.271 58.200 -0.419 0.000 1.121 356 S CB 0.497 63.568 63.200 -0.214 0.000 0.971 356 S HN 0.654 nan 8.310 nan 0.000 0.463 357 D N 2.169 122.229 120.400 -0.566 0.000 2.295 357 D HA 0.273 4.902 4.640 -0.017 0.000 0.248 357 D C 0.998 177.184 176.300 -0.189 0.000 1.154 357 D CA -0.549 53.231 54.000 -0.366 0.000 0.857 357 D CB 0.819 41.587 40.800 -0.053 0.000 1.117 357 D HN 0.269 nan 8.370 nan 0.000 0.468 358 L N 5.684 126.761 121.223 -0.243 0.000 1.976 358 L HA -0.038 4.291 4.340 -0.017 0.000 0.209 358 L C 1.496 178.369 176.870 0.004 0.000 1.071 358 L CA 1.579 56.316 54.840 -0.172 0.000 0.746 358 L CB -0.561 41.321 42.059 -0.294 0.000 0.890 358 L HN 0.601 nan 8.230 nan 0.000 0.432 359 W N 0.134 121.438 121.300 0.007 0.000 2.338 359 W HA -0.184 4.473 4.660 -0.006 0.000 0.304 359 W C 3.022 179.545 176.519 0.007 0.000 1.212 359 W CA 1.811 59.162 57.345 0.009 0.000 1.264 359 W CB -1.867 27.603 29.460 0.018 0.000 1.142 359 W HN 0.572 nan 8.180 nan 0.000 0.512 360 S N -1.194 114.641 115.700 0.224 0.000 2.478 360 S HA 0.290 4.750 4.470 -0.017 0.000 0.222 360 S C 1.806 176.453 174.600 0.077 0.000 1.008 360 S CA 0.955 59.235 58.200 0.133 0.000 0.928 360 S CB -0.060 63.208 63.200 0.114 0.000 0.781 360 S HN 0.459 nan 8.310 nan 0.000 0.518 361 G N 1.121 109.951 108.800 0.050 0.000 2.179 361 G HA2 -0.232 3.718 3.960 -0.017 0.000 0.260 361 G HA3 -0.232 3.718 3.960 -0.017 0.000 0.260 361 G C 0.008 174.914 174.900 0.010 0.000 0.977 361 G CA 0.321 45.434 45.100 0.021 0.000 0.641 361 G HN 0.597 nan 8.290 nan 0.000 0.533 362 I N 1.401 121.980 120.570 0.016 0.000 2.342 362 I HA 0.276 4.436 4.170 -0.017 0.000 0.291 362 I C -0.433 175.689 176.117 0.008 0.000 1.010 362 I CA -0.769 60.548 61.300 0.029 0.000 1.308 362 I CB 0.990 39.022 38.000 0.053 0.000 1.400 362 I HN -0.024 nan 8.210 nan 0.000 0.488 363 N N 6.594 125.312 118.700 0.029 0.000 2.417 363 N HA 0.301 5.031 4.740 -0.017 0.000 0.274 363 N C -1.315 174.270 175.510 0.125 0.000 0.987 363 N CA -0.425 52.639 53.050 0.024 0.000 0.912 363 N CB 1.855 40.338 38.487 -0.007 0.000 1.177 363 N HN 0.463 nan 8.380 nan 0.000 0.490 364 Y N 1.013 121.305 120.300 -0.012 0.000 2.391 364 Y HA 0.478 5.019 4.550 -0.015 0.000 0.341 364 Y C -0.999 174.912 175.900 0.018 0.000 0.965 364 Y CA -0.324 57.785 58.100 0.015 0.000 1.067 364 Y CB 1.652 40.137 38.460 0.043 0.000 1.199 364 Y HN 0.324 nan 8.280 nan 0.000 0.450 365 T N 6.909 121.283 114.554 -0.299 0.000 2.971 365 T HA 0.560 4.899 4.350 -0.017 0.000 0.304 365 T C -1.295 173.175 174.700 -0.383 0.000 1.038 365 T CA -0.972 60.988 62.100 -0.234 0.000 1.007 365 T CB 1.084 69.889 68.868 -0.104 0.000 1.055 365 T HN 0.408 nan 8.240 nan 0.000 0.451 366 R N 1.914 122.253 120.500 -0.268 0.000 2.686 366 R HA 0.538 4.868 4.340 -0.017 0.000 0.283 366 R C -0.361 175.907 176.300 -0.054 0.000 0.978 366 R CA -0.851 55.134 56.100 -0.193 0.000 0.897 366 R CB 2.132 32.324 30.300 -0.179 0.000 1.192 366 R HN 0.547 nan 8.270 nan 0.000 0.457 367 R N 1.166 121.655 120.500 -0.020 0.000 2.500 367 R HA 0.323 4.653 4.340 -0.017 0.000 0.277 367 R C 0.247 176.607 176.300 0.099 0.000 1.026 367 R CA -0.786 55.335 56.100 0.035 0.000 1.058 367 R CB 0.932 31.253 30.300 0.036 0.000 1.078 367 R HN 0.392 nan 8.270 nan 0.000 0.509 368 N N 0.854 119.650 118.700 0.160 0.000 2.485 368 N HA 0.425 5.155 4.740 -0.017 0.000 0.280 368 N C -0.893 174.823 175.510 0.343 0.000 1.205 368 N CA -0.353 52.861 53.050 0.273 0.000 0.959 368 N CB 1.192 39.894 38.487 0.359 0.000 1.206 368 N HN 0.425 nan 8.380 nan 0.000 0.545 369 R N -0.577 120.183 120.500 0.433 0.000 2.716 369 R HA 0.468 4.797 4.340 -0.017 0.000 0.271 369 R C -1.050 175.499 176.300 0.415 0.000 1.028 369 R CA -0.809 55.554 56.100 0.438 0.000 0.883 369 R CB 2.222 32.817 30.300 0.492 0.000 1.250 369 R HN 0.732 nan 8.270 nan 0.000 0.465 370 R N 0.829 121.374 120.500 0.076 0.000 2.698 370 R HA 0.540 4.869 4.340 -0.017 0.000 0.275 370 R C -1.304 174.512 176.300 -0.806 0.000 1.001 370 R CA -1.026 54.792 56.100 -0.469 0.000 0.896 370 R CB 1.670 31.265 30.300 -1.175 0.000 1.218 370 R HN 0.388 nan 8.270 nan 0.000 0.462 371 M N 2.600 121.399 119.600 -1.336 0.000 2.188 371 M HA 0.342 4.811 4.480 -0.017 0.000 0.357 371 M C -1.484 174.312 176.300 -0.841 0.000 1.204 371 M CA -0.572 53.879 55.300 -1.416 0.000 1.095 371 M CB 1.676 33.242 32.600 -1.723 0.000 1.604 371 M HN 0.527 nan 8.290 nan 0.000 0.464 372 V N 7.001 126.470 119.914 -0.742 0.000 2.540 372 V HA 0.574 4.683 4.120 -0.017 0.000 0.302 372 V C -0.584 175.281 176.094 -0.381 0.000 1.035 372 V CA -0.588 61.437 62.300 -0.459 0.000 0.873 372 V CB 1.700 33.230 31.823 -0.487 0.000 0.992 372 V HN 0.788 nan 8.190 nan 0.000 0.428 373 I N 4.531 124.973 120.570 -0.214 0.000 2.468 373 I HA 0.590 4.749 4.170 -0.017 0.000 0.284 373 I C -0.111 176.016 176.117 0.017 0.000 1.038 373 I CA 0.038 61.277 61.300 -0.101 0.000 1.083 373 I CB 1.906 39.844 38.000 -0.104 0.000 1.223 373 I HN 0.773 nan 8.210 nan 0.000 0.443 374 S N 5.656 121.375 115.700 0.031 0.000 2.618 374 S HA 0.890 5.349 4.470 -0.017 0.000 0.277 374 S C -0.893 173.805 174.600 0.164 0.000 1.138 374 S CA -0.710 57.452 58.200 -0.062 0.000 0.844 374 S CB 2.634 65.544 63.200 -0.484 0.000 1.127 374 S HN 0.511 nan 8.310 nan 0.000 0.474 375 F N -1.063 118.849 119.950 -0.063 0.000 2.654 375 F HA 0.869 5.385 4.527 -0.018 0.000 0.308 375 F C -2.276 173.624 175.800 0.168 0.000 1.108 375 F CA -1.644 56.429 58.000 0.121 0.000 0.957 375 F CB 0.933 40.063 39.000 0.217 0.000 1.309 375 F HN 0.611 nan 8.300 nan 0.000 0.446 376 F N 1.432 121.387 119.950 0.009 0.000 2.540 376 F HA 0.694 5.210 4.527 -0.017 0.000 0.317 376 F C -0.124 175.779 175.800 0.172 0.000 1.104 376 F CA -0.375 57.616 58.000 -0.014 0.000 0.913 376 F CB 2.223 41.251 39.000 0.047 0.000 1.170 376 F HN 0.880 nan 8.300 nan 0.000 0.450 377 T N 2.240 117.008 114.554 0.356 0.000 2.924 377 T HA 0.676 5.016 4.350 -0.017 0.000 0.291 377 T C -1.141 173.804 174.700 0.409 0.000 1.045 377 T CA -0.328 62.052 62.100 0.466 0.000 1.015 377 T CB 1.360 70.553 68.868 0.542 0.000 1.103 377 T HN 0.567 nan 8.240 nan 0.000 0.496 378 T N 4.232 118.989 114.554 0.337 0.000 2.840 378 T HA 0.544 4.884 4.350 -0.017 0.000 0.287 378 T C -0.802 173.931 174.700 0.055 0.000 0.991 378 T CA -0.568 61.632 62.100 0.168 0.000 0.964 378 T CB 0.504 69.444 68.868 0.120 0.000 0.954 378 T HN 0.432 nan 8.240 nan 0.000 0.438 379 I N 3.636 124.180 120.570 -0.042 0.000 2.537 379 I HA 0.427 4.586 4.170 -0.017 0.000 0.276 379 I C 1.216 177.138 176.117 -0.325 0.000 1.063 379 I CA -0.051 61.099 61.300 -0.249 0.000 1.144 379 I CB -0.062 37.849 38.000 -0.148 0.000 1.252 379 I HN 0.955 nan 8.210 nan 0.000 0.480 380 G N 6.939 115.534 108.800 -0.341 0.000 2.595 380 G HA2 -0.298 3.652 3.960 -0.017 0.000 0.297 380 G HA3 -0.298 3.652 3.960 -0.017 0.000 0.297 380 G C 0.342 175.120 174.900 -0.204 0.000 1.181 380 G CA 0.465 45.436 45.100 -0.215 0.000 0.963 380 G HN 0.678 nan 8.290 nan 0.000 0.541 384 Y N 0.259 120.529 120.300 -0.050 0.000 2.425 384 Y HA 0.713 5.253 4.550 -0.017 0.000 0.344 384 Y C 0.741 175.939 175.900 -1.171 0.000 0.969 384 Y CA -1.088 56.731 58.100 -0.468 0.000 1.052 384 Y CB 2.529 40.837 38.460 -0.252 0.000 1.215 384 Y HN 0.450 nan 8.280 nan 0.000 0.451 385 G N 2.284 110.239 108.800 -1.409 0.000 2.379 385 G HA2 0.614 4.564 3.960 -0.017 0.000 0.327 385 G HA3 0.614 4.564 3.960 -0.017 0.000 0.327 385 G C -1.636 172.744 174.900 -0.868 0.000 1.145 385 G CA -0.494 43.738 45.100 -1.446 0.000 0.905 385 G HN 0.430 nan 8.290 nan 0.000 0.466 386 F N 1.352 120.789 119.950 -0.855 0.000 2.427 386 F HA 0.456 4.972 4.527 -0.018 0.000 0.348 386 F C -0.766 174.642 175.800 -0.653 0.000 1.125 386 F CA -0.676 57.030 58.000 -0.489 0.000 0.989 386 F CB 2.000 40.903 39.000 -0.161 0.000 1.165 386 F HN 0.312 nan 8.300 nan 0.000 0.442 387 Y N 1.468 121.370 120.300 -0.663 0.000 2.350 387 Y HA 0.417 4.957 4.550 -0.017 0.000 0.338 387 Y C -1.078 174.118 175.900 -1.173 0.000 0.961 387 Y CA -1.517 56.122 58.100 -0.768 0.000 1.100 387 Y CB 1.396 39.338 38.460 -0.862 0.000 1.179 387 Y HN 0.513 nan 8.280 nan 0.000 0.454 388 W N 3.243 124.197 121.300 -0.576 0.000 2.573 388 W HA 0.626 5.275 4.660 -0.018 0.000 0.326 388 W C -1.449 174.630 176.519 -0.733 0.000 1.049 388 W CA -0.738 56.298 57.345 -0.516 0.000 1.220 388 W CB 1.259 30.590 29.460 -0.214 0.000 1.373 388 W HN 0.322 nan 8.180 nan 0.000 0.507 389 Y N 2.775 122.975 120.300 -0.166 0.000 2.462 389 Y HA 0.652 5.192 4.550 -0.017 0.000 0.346 389 Y C -0.353 175.218 175.900 -0.549 0.000 0.976 389 Y CA -1.630 56.170 58.100 -0.499 0.000 1.044 389 Y CB 1.224 39.273 38.460 -0.684 0.000 1.230 389 Y HN 0.057 nan 8.280 nan 0.000 0.455 390 L N 4.047 124.895 121.223 -0.626 0.000 2.349 390 L HA 0.524 4.854 4.340 -0.017 0.000 0.278 390 L C -1.213 175.436 176.870 -0.369 0.000 0.996 390 L CA -0.817 53.601 54.840 -0.703 0.000 0.825 390 L CB 1.220 42.542 42.059 -1.227 0.000 1.243 390 L HN 0.607 nan 8.230 nan 0.000 0.412 391 Y N 1.863 122.306 120.300 0.237 0.000 2.488 391 Y HA 0.315 4.855 4.550 -0.017 0.000 0.325 391 Y C 1.228 177.591 175.900 0.772 0.000 1.204 391 Y CA -0.756 57.607 58.100 0.439 0.000 1.229 391 Y CB 1.341 39.945 38.460 0.239 0.000 1.274 391 Y HN 0.435 nan 8.280 nan 0.000 0.493 392 L N 0.655 122.313 121.223 0.726 0.000 2.079 392 L HA -0.213 4.117 4.340 -0.017 0.000 0.210 392 L C 1.729 178.838 176.870 0.398 0.000 1.081 392 L CA 1.752 56.872 54.840 0.466 0.000 0.752 392 L CB -0.344 41.869 42.059 0.257 0.000 0.896 392 L HN 0.777 nan 8.230 nan 0.000 0.433 393 D N -0.470 120.138 120.400 0.347 0.000 2.363 393 D HA -0.029 4.601 4.640 -0.017 0.000 0.226 393 D C 1.402 177.773 176.300 0.118 0.000 1.020 393 D CA 0.935 55.024 54.000 0.150 0.000 0.892 393 D CB 0.268 41.137 40.800 0.115 0.000 0.900 393 D HN 0.358 nan 8.370 nan 0.000 0.531 394 G N -0.516 108.527 108.800 0.405 0.000 2.176 394 G HA2 -0.229 3.721 3.960 -0.017 0.000 0.232 394 G HA3 -0.229 3.721 3.960 -0.017 0.000 0.232 394 G C 0.321 175.691 174.900 0.783 0.000 0.986 394 G CA 0.162 45.537 45.100 0.458 0.000 0.643 394 G HN 0.439 nan 8.290 nan 0.000 0.522 395 T N 1.184 116.134 114.554 0.659 0.000 2.884 395 T HA 0.586 4.925 4.350 -0.017 0.000 0.298 395 T C 0.499 175.555 174.700 0.595 0.000 0.998 395 T CA 0.392 62.816 62.100 0.541 0.000 1.124 395 T CB 1.323 70.340 68.868 0.248 0.000 0.931 395 T HN 0.327 nan 8.240 nan 0.000 0.531 396 I N 2.613 123.453 120.570 0.450 0.000 2.433 396 I HA 0.489 4.648 4.170 -0.017 0.000 0.292 396 I C 0.119 176.374 176.117 0.231 0.000 1.001 396 I CA -0.591 60.865 61.300 0.260 0.000 1.119 396 I CB 1.859 39.977 38.000 0.198 0.000 1.289 396 I HN 0.588 nan 8.210 nan 0.000 0.438 397 E N 5.521 125.819 120.200 0.162 0.000 2.356 397 E HA 0.476 4.816 4.350 -0.017 0.000 0.275 397 E C -2.011 174.418 176.600 -0.284 0.000 0.904 397 E CA -0.658 55.734 56.400 -0.015 0.000 0.757 397 E CB 2.695 32.532 29.700 0.227 0.000 1.232 397 E HN 0.412 nan 8.360 nan 0.000 0.442 398 F N 2.361 121.753 119.950 -0.930 0.000 2.532 398 F HA 0.512 5.029 4.527 -0.018 0.000 0.321 398 F C -1.147 174.142 175.800 -0.851 0.000 1.089 398 F CA -0.543 56.714 58.000 -1.237 0.000 0.926 398 F CB 1.789 39.717 39.000 -1.786 0.000 1.168 398 F HN 0.492 nan 8.300 nan 0.000 0.459 399 E N 4.225 123.315 120.200 -1.851 0.000 2.263 399 E HA 0.677 5.017 4.350 -0.017 0.000 0.268 399 E C -1.882 173.883 176.600 -1.391 0.000 0.884 399 E CA -0.947 54.751 56.400 -1.169 0.000 0.766 399 E CB 1.703 31.115 29.700 -0.480 0.000 1.196 399 E HN 0.867 nan 8.360 nan 0.000 0.416 400 A N 4.642 126.892 122.820 -0.951 0.000 2.292 400 A HA 0.519 4.828 4.320 -0.017 0.000 0.319 400 A C -0.703 176.633 177.584 -0.414 0.000 1.206 400 A CA -0.657 50.920 52.037 -0.767 0.000 0.835 400 A CB 0.728 19.139 19.000 -0.982 0.000 1.164 400 A HN 0.558 nan 8.150 nan 0.000 0.505 401 K N 1.864 122.072 120.400 -0.321 0.000 2.425 401 K HA 0.537 4.846 4.320 -0.017 0.000 0.259 401 K C -0.670 175.874 176.600 -0.093 0.000 0.978 401 K CA -0.263 55.936 56.287 -0.146 0.000 0.883 401 K CB 2.013 34.487 32.500 -0.044 0.000 1.110 401 K HN 0.720 nan 8.250 nan 0.000 0.436 402 A N 2.698 125.513 122.820 -0.010 0.000 2.249 402 A HA 0.462 4.772 4.320 -0.017 0.000 0.314 402 A C -0.019 177.544 177.584 -0.036 0.000 1.290 402 A CA -0.215 51.810 52.037 -0.020 0.000 0.893 402 A CB 1.068 20.041 19.000 -0.044 0.000 1.165 402 A HN 0.663 nan 8.150 nan 0.000 0.530 403 T N 1.170 115.678 114.554 -0.078 0.000 2.565 403 T HA 0.847 5.186 4.350 -0.017 0.000 0.266 403 T C 0.475 175.086 174.700 -0.148 0.000 0.905 403 T CA 0.970 63.036 62.100 -0.056 0.000 1.122 403 T CB 0.856 69.737 68.868 0.022 0.000 1.437 403 T HN 2.554 nan 8.240 nan 0.000 0.506 404 G N -0.194 108.511 108.800 -0.158 0.000 2.416 404 G HA2 0.037 3.987 3.960 -0.017 0.000 0.203 404 G HA3 0.037 3.987 3.960 -0.017 0.000 0.203 404 G C -1.233 173.524 174.900 -0.238 0.000 1.227 404 G CA -0.225 44.746 45.100 -0.215 0.000 1.041 404 G HN 1.261 nan 8.290 nan 0.000 0.546 405 V N 0.597 120.331 119.914 -0.300 0.000 2.555 405 V HA 0.588 4.698 4.120 -0.017 0.000 0.302 405 V C 0.980 176.943 176.094 -0.218 0.000 1.038 405 V CA -0.657 61.478 62.300 -0.275 0.000 0.887 405 V CB 1.464 33.039 31.823 -0.413 0.000 0.991 405 V HN 0.967 nan 8.190 nan 0.000 0.434 406 V N 4.032 123.972 119.914 0.042 0.000 2.872 406 V HA 0.062 4.172 4.120 -0.017 0.000 0.307 406 V C 0.013 176.170 176.094 0.105 0.000 1.072 406 V CA 0.079 62.468 62.300 0.148 0.000 1.148 406 V CB 0.294 32.294 31.823 0.296 0.000 0.954 406 V HN 0.680 nan 8.190 nan 0.000 0.490 407 F N 4.531 124.487 119.950 0.010 0.000 2.445 407 F HA 0.405 4.922 4.527 -0.017 0.000 0.359 407 F C 0.920 176.830 175.800 0.184 0.000 1.101 407 F CA -0.168 57.861 58.000 0.047 0.000 1.177 407 F CB 0.739 39.750 39.000 0.018 0.000 1.110 407 F HN 0.733 nan 8.300 nan 0.000 0.522 408 T N 1.774 116.345 114.554 0.029 0.000 2.936 408 T HA 0.811 5.151 4.350 -0.017 0.000 0.282 408 T C -0.108 174.669 174.700 0.128 0.000 1.003 408 T CA -0.247 61.923 62.100 0.118 0.000 1.005 408 T CB 1.632 70.540 68.868 0.067 0.000 1.097 408 T HN 0.703 nan 8.240 nan 0.000 0.532 409 S N -0.477 115.254 115.700 0.052 0.000 2.790 409 S HA 0.781 5.241 4.470 -0.017 0.000 0.292 409 S C -0.655 173.899 174.600 -0.078 0.000 1.197 409 S CA -0.794 57.382 58.200 -0.040 0.000 0.851 409 S CB 0.777 63.960 63.200 -0.029 0.000 1.217 409 S HN 1.392 nan 8.310 nan 0.000 0.526 410 A N 0.409 123.123 122.820 -0.177 0.000 2.302 410 A HA 0.714 5.024 4.320 -0.017 0.000 0.285 410 A C -0.856 176.729 177.584 0.002 0.000 1.105 410 A CA -0.455 51.527 52.037 -0.092 0.000 0.816 410 A CB -0.062 18.838 19.000 -0.167 0.000 1.067 410 A HN 0.957 nan 8.150 nan 0.000 0.489 411 F N 2.750 122.684 119.950 -0.028 0.000 2.391 411 F HA 0.514 5.030 4.527 -0.017 0.000 0.359 411 F C -2.144 173.691 175.800 0.057 0.000 1.122 411 F CA -2.542 55.454 58.000 -0.007 0.000 1.120 411 F CB 0.900 39.891 39.000 -0.015 0.000 1.142 411 F HN 0.302 nan 8.300 nan 0.000 0.483 412 P HA -0.020 nan 4.420 nan 0.000 0.264 412 P C 0.495 177.608 177.300 -0.310 0.000 1.183 412 P CA 0.318 63.239 63.100 -0.299 0.000 0.763 412 P CB 0.750 32.262 31.700 -0.313 0.000 0.807 413 E N 3.168 123.315 120.200 -0.088 0.000 2.068 413 E HA -0.191 4.148 4.350 -0.017 0.000 0.207 413 E C 1.586 178.167 176.600 -0.031 0.000 1.032 413 E CA 2.254 58.638 56.400 -0.027 0.000 0.839 413 E CB -0.995 28.687 29.700 -0.030 0.000 0.758 413 E HN 0.589 nan 8.360 nan 0.000 0.457 414 G N -0.822 107.938 108.800 -0.066 0.000 3.474 414 G HA2 0.442 4.392 3.960 -0.017 0.000 0.269 414 G HA3 0.442 4.392 3.960 -0.017 0.000 0.269 414 G C 0.383 175.247 174.900 -0.060 0.000 1.339 414 G CA 0.179 45.256 45.100 -0.038 0.000 1.258 414 G HN 0.617 nan 8.290 nan 0.000 0.560 415 G N -0.718 108.006 108.800 -0.127 0.000 2.855 415 G HA2 0.157 4.107 3.960 -0.017 0.000 0.352 415 G HA3 0.157 4.107 3.960 -0.017 0.000 0.352 415 G C -0.242 174.485 174.900 -0.289 0.000 1.415 415 G CA -0.032 44.992 45.100 -0.127 0.000 0.871 415 G HN 1.340 nan 8.290 nan 0.000 0.543 416 S N -1.205 114.418 115.700 -0.128 0.000 2.535 416 S HA 0.571 5.030 4.470 -0.017 0.000 0.272 416 S C -0.020 174.574 174.600 -0.010 0.000 1.149 416 S CA 0.284 58.404 58.200 -0.133 0.000 0.888 416 S CB 1.701 64.739 63.200 -0.270 0.000 1.110 416 S HN 0.580 nan 8.310 nan 0.000 0.463 417 D N 2.627 123.011 120.400 -0.027 0.000 2.349 417 D HA 0.161 4.790 4.640 -0.017 0.000 0.215 417 D C 0.404 176.696 176.300 -0.014 0.000 1.016 417 D CA 0.627 54.654 54.000 0.044 0.000 0.870 417 D CB 0.030 40.860 40.800 0.049 0.000 0.917 417 D HN 0.617 nan 8.370 nan 0.000 0.524 418 N N -0.692 117.824 118.700 -0.306 0.000 2.184 418 N HA 0.275 5.004 4.740 -0.017 0.000 0.234 418 N C -0.449 174.312 175.510 -1.248 0.000 1.282 418 N CA -0.033 52.604 53.050 -0.688 0.000 0.877 418 N CB 1.737 40.083 38.487 -0.235 0.000 1.184 418 N HN -0.025 nan 8.380 nan 0.000 0.510 419 I N 0.423 120.433 120.570 -0.935 0.000 2.692 419 I HA 0.320 4.480 4.170 -0.017 0.000 0.293 419 I C -0.806 175.360 176.117 0.082 0.000 1.200 419 I CA -0.886 60.168 61.300 -0.410 0.000 1.036 419 I CB 2.204 40.148 38.000 -0.093 0.000 1.258 419 I HN -0.040 nan 8.210 nan 0.000 0.421 420 S N 3.830 119.722 115.700 0.320 0.000 2.621 420 S HA 0.549 5.009 4.470 -0.017 0.000 0.302 420 S C -0.760 173.859 174.600 0.032 0.000 1.093 420 S CA -0.827 57.571 58.200 0.330 0.000 1.017 420 S CB 2.130 65.585 63.200 0.423 0.000 1.077 420 S HN 0.663 nan 8.310 nan 0.000 0.517 421 Q N 0.539 120.052 119.800 -0.478 0.000 2.256 421 Q HA 0.464 4.794 4.340 -0.017 0.000 0.254 421 Q C -0.203 175.616 176.000 -0.302 0.000 0.916 421 Q CA -0.525 54.863 55.803 -0.691 0.000 0.932 421 Q CB 0.784 28.734 28.738 -1.314 0.000 1.207 421 Q HN 0.853 nan 8.270 nan 0.000 0.426 422 L N 1.984 123.053 121.223 -0.257 0.000 2.537 422 L HA 0.541 4.870 4.340 -0.017 0.000 0.224 422 L C 0.352 177.093 176.870 -0.215 0.000 1.065 422 L CA 0.109 54.827 54.840 -0.204 0.000 0.860 422 L CB 0.588 42.441 42.059 -0.343 0.000 1.086 422 L HN 0.641 nan 8.230 nan 0.000 0.482 423 A N -1.024 121.634 122.820 -0.270 0.000 2.564 423 A HA 0.620 4.930 4.320 -0.017 0.000 0.291 423 A C -2.772 174.735 177.584 -0.129 0.000 1.102 423 A CA -0.955 50.985 52.037 -0.161 0.000 0.660 423 A CB 0.283 19.172 19.000 -0.185 0.000 1.283 423 A HN -0.232 nan 8.150 nan 0.000 0.430 424 P HA 0.297 nan 4.420 nan 0.000 0.258 424 P C 1.011 178.317 177.300 0.009 0.000 1.187 424 P CA 2.338 65.431 63.100 -0.012 0.000 0.767 424 P CB 0.348 32.056 31.700 0.015 0.000 0.770 425 G N 2.383 111.216 108.800 0.056 0.000 2.212 425 G HA2 -0.283 3.667 3.960 -0.017 0.000 0.266 425 G HA3 -0.283 3.667 3.960 -0.017 0.000 0.266 425 G C -0.134 174.817 174.900 0.084 0.000 0.978 425 G CA -0.125 45.039 45.100 0.107 0.000 0.632 425 G HN 0.560 nan 8.290 nan 0.000 0.537 426 L N 1.849 123.060 121.223 -0.020 0.000 2.264 426 L HA 0.777 5.106 4.340 -0.017 0.000 0.289 426 L C 0.740 177.567 176.870 -0.072 0.000 1.044 426 L CA 0.234 55.002 54.840 -0.121 0.000 0.807 426 L CB 1.102 42.944 42.059 -0.362 0.000 1.192 426 L HN 0.380 nan 8.230 nan 0.000 0.425 427 G N 3.316 112.132 108.800 0.027 0.000 2.537 427 G HA2 0.780 4.729 3.960 -0.017 0.000 0.323 427 G HA3 0.780 4.729 3.960 -0.017 0.000 0.323 427 G C -1.627 173.324 174.900 0.084 0.000 1.207 427 G CA -0.334 44.853 45.100 0.146 0.000 0.976 427 G HN 0.932 nan 8.290 nan 0.000 0.487 428 A N 1.196 124.118 122.820 0.171 0.000 2.569 428 A HA 0.748 5.057 4.320 -0.017 0.000 0.282 428 A C -2.848 174.928 177.584 0.319 0.000 1.165 428 A CA -1.275 50.911 52.037 0.247 0.000 0.747 428 A CB 1.583 20.738 19.000 0.259 0.000 1.215 428 A HN 0.404 nan 8.150 nan 0.000 0.431 429 P HA 0.233 nan 4.420 nan 0.000 0.269 429 P C -0.407 177.200 177.300 0.512 0.000 1.209 429 P CA 0.116 63.379 63.100 0.272 0.000 0.776 429 P CB 0.212 32.099 31.700 0.311 0.000 0.876 430 F N 2.995 123.087 119.950 0.237 0.000 2.518 430 F HA 0.233 4.750 4.527 -0.017 0.000 0.359 430 F C 1.590 177.343 175.800 -0.078 0.000 1.118 430 F CA 0.418 58.458 58.000 0.066 0.000 1.287 430 F CB -0.472 38.567 39.000 0.066 0.000 1.132 430 F HN 0.488 nan 8.300 nan 0.000 0.587 431 H N -0.046 118.885 119.070 -0.231 0.000 2.918 431 H HA 0.548 5.094 4.556 -0.017 0.000 0.303 431 H C -1.766 173.238 175.328 -0.541 0.000 1.380 431 H CA -1.114 54.566 56.048 -0.614 0.000 1.134 431 H CB 1.499 30.485 29.762 -1.293 0.000 1.842 431 H HN 0.587 nan 8.280 nan 0.000 0.533 432 Q N 0.065 119.517 119.800 -0.580 0.000 2.484 432 Q HA 0.386 4.716 4.340 -0.017 0.000 0.285 432 Q C -1.132 174.517 176.000 -0.586 0.000 1.097 432 Q CA -0.971 54.511 55.803 -0.536 0.000 0.802 432 Q CB 3.030 31.541 28.738 -0.379 0.000 1.444 432 Q HN 0.553 nan 8.270 nan 0.000 0.429 433 H N 1.276 120.152 119.070 -0.323 0.000 2.887 433 H HA 0.440 4.986 4.556 -0.017 0.000 0.300 433 H C -0.919 174.168 175.328 -0.402 0.000 1.038 433 H CA -0.229 55.613 56.048 -0.343 0.000 1.352 433 H CB 0.758 30.398 29.762 -0.204 0.000 1.473 433 H HN 0.443 nan 8.280 nan 0.000 0.503 434 I N 4.091 124.416 120.570 -0.409 0.000 2.362 434 I HA 0.233 4.393 4.170 -0.017 0.000 0.289 434 I C -0.510 175.351 176.117 -0.426 0.000 0.994 434 I CA -0.601 60.509 61.300 -0.317 0.000 1.158 434 I CB 0.951 38.798 38.000 -0.255 0.000 1.315 434 I HN 0.196 nan 8.210 nan 0.000 0.451 435 F N 3.181 122.872 119.950 -0.432 0.000 2.440 435 F HA 0.529 5.045 4.527 -0.017 0.000 0.328 435 F C 0.644 176.264 175.800 -0.299 0.000 1.070 435 F CA -0.887 56.834 58.000 -0.466 0.000 1.011 435 F CB 1.658 40.110 39.000 -0.914 0.000 1.226 435 F HN 0.252 nan 8.300 nan 0.000 0.491 436 S N 1.060 116.811 115.700 0.085 0.000 2.707 436 S HA 0.760 5.220 4.470 -0.017 0.000 0.312 436 S C -0.871 173.827 174.600 0.164 0.000 1.116 436 S CA -0.549 57.721 58.200 0.117 0.000 1.078 436 S CB 0.366 63.467 63.200 -0.165 0.000 0.997 436 S HN 0.833 nan 8.310 nan 0.000 0.477 437 A N 4.813 127.778 122.820 0.241 0.000 2.289 437 A HA 0.612 4.922 4.320 -0.017 0.000 0.298 437 A C 0.177 177.780 177.584 0.031 0.000 1.208 437 A CA -0.627 51.511 52.037 0.167 0.000 0.845 437 A CB 0.374 19.430 19.000 0.094 0.000 1.125 437 A HN 0.833 nan 8.150 nan 0.000 0.517 438 R N 3.533 123.989 120.500 -0.073 0.000 2.215 438 R HA 0.520 4.850 4.340 -0.017 0.000 0.336 438 R C -1.588 174.524 176.300 -0.313 0.000 0.996 438 R CA -0.346 55.512 56.100 -0.403 0.000 0.847 438 R CB 0.307 30.249 30.300 -0.597 0.000 1.127 438 R HN 0.728 nan 8.270 nan 0.000 0.465 439 L N 4.413 125.446 121.223 -0.317 0.000 2.301 439 L HA 0.260 4.589 4.340 -0.017 0.000 0.278 439 L C -0.411 176.340 176.870 -0.199 0.000 1.022 439 L CA -0.848 53.883 54.840 -0.181 0.000 0.854 439 L CB 1.486 43.503 42.059 -0.070 0.000 1.226 439 L HN 0.519 nan 8.230 nan 0.000 0.429 440 D N 5.060 125.359 120.400 -0.168 0.000 2.402 440 D HA 0.166 4.796 4.640 -0.017 0.000 0.235 440 D C 0.156 176.448 176.300 -0.013 0.000 1.226 440 D CA -0.288 53.668 54.000 -0.074 0.000 0.918 440 D CB 0.584 41.362 40.800 -0.036 0.000 1.043 440 D HN 0.153 nan 8.370 nan 0.000 0.506 441 M N 2.333 121.938 119.600 0.009 0.000 2.238 441 M HA 0.320 4.789 4.480 -0.017 0.000 0.347 441 M C 0.391 176.713 176.300 0.036 0.000 1.173 441 M CA -0.319 54.987 55.300 0.010 0.000 1.147 441 M CB 0.741 33.358 32.600 0.028 0.000 1.547 441 M HN 0.470 nan 8.290 nan 0.000 0.455 442 A N 4.182 126.952 122.820 -0.082 0.000 3.234 442 A HA 0.391 4.701 4.320 -0.017 0.000 0.247 442 A C -0.229 177.265 177.584 -0.149 0.000 0.938 442 A CA -0.537 51.355 52.037 -0.243 0.000 1.039 442 A CB 0.105 18.800 19.000 -0.508 0.000 1.197 442 A HN 0.627 nan 8.150 nan 0.000 0.498 443 I N 1.675 122.224 120.570 -0.034 0.000 2.691 443 I HA 0.029 4.189 4.170 -0.017 0.000 0.288 443 I C 0.399 176.581 176.117 0.108 0.000 1.143 443 I CA 0.896 62.246 61.300 0.084 0.000 1.364 443 I CB -1.154 36.934 38.000 0.146 0.000 1.435 443 I HN 0.487 nan 8.210 nan 0.000 0.551 444 D N 4.910 125.395 120.400 0.142 0.000 2.837 444 D HA -0.153 4.477 4.640 -0.017 0.000 0.230 444 D C 0.633 176.895 176.300 -0.065 0.000 1.152 444 D CA 1.641 55.655 54.000 0.023 0.000 0.736 444 D CB -0.735 40.031 40.800 -0.058 0.000 1.084 444 D HN 1.112 nan 8.370 nan 0.000 0.429 445 G N -2.189 106.519 108.800 -0.153 0.000 2.353 445 G HA2 -0.084 3.866 3.960 -0.017 0.000 0.615 445 G HA3 -0.084 3.866 3.960 -0.017 0.000 0.615 445 G C 0.247 174.981 174.900 -0.276 0.000 1.280 445 G CA -0.355 44.589 45.100 -0.259 0.000 1.000 445 G HN 0.041 nan 8.290 nan 0.000 0.516 446 F N 0.855 120.798 119.950 -0.013 0.000 2.710 446 F HA 0.216 4.733 4.527 -0.017 0.000 0.298 446 F C 2.282 178.081 175.800 -0.001 0.000 1.137 446 F CA 1.214 59.201 58.000 -0.021 0.000 1.444 446 F CB 0.184 39.156 39.000 -0.048 0.000 1.111 446 F HN 0.293 nan 8.300 nan 0.000 0.580 447 T N 2.786 117.434 114.554 0.157 0.000 2.978 447 T HA 0.163 4.502 4.350 -0.017 0.000 0.278 447 T C -0.083 174.673 174.700 0.093 0.000 0.945 447 T CA -0.092 62.075 62.100 0.111 0.000 1.070 447 T CB -0.448 68.465 68.868 0.075 0.000 0.948 447 T HN -0.010 nan 8.240 nan 0.000 0.617 448 N N 2.715 121.478 118.700 0.105 0.000 2.469 448 N HA 0.695 5.425 4.740 -0.017 0.000 0.286 448 N C -0.280 175.285 175.510 0.093 0.000 1.275 448 N CA -1.020 52.087 53.050 0.095 0.000 0.790 448 N CB 2.154 40.702 38.487 0.102 0.000 1.446 448 N HN 0.621 nan 8.380 nan 0.000 0.501 449 R N -1.671 118.884 120.500 0.091 0.000 2.734 449 R HA 0.779 5.109 4.340 -0.017 0.000 0.271 449 R C -1.805 174.557 176.300 0.103 0.000 1.021 449 R CA -0.856 55.299 56.100 0.091 0.000 0.893 449 R CB 0.742 31.090 30.300 0.079 0.000 1.244 449 R HN 0.184 nan 8.270 nan 0.000 0.464 450 V N 0.906 120.886 119.914 0.111 0.000 2.604 450 V HA 0.444 4.554 4.120 -0.017 0.000 0.305 450 V C -0.636 175.545 176.094 0.144 0.000 1.043 450 V CA -0.719 61.664 62.300 0.137 0.000 0.888 450 V CB 1.891 33.802 31.823 0.147 0.000 0.995 450 V HN 0.764 nan 8.190 nan 0.000 0.429 451 E N 2.178 122.471 120.200 0.155 0.000 2.248 451 E HA 0.418 4.757 4.350 -0.017 0.000 0.267 451 E C -1.004 175.686 176.600 0.150 0.000 0.877 451 E CA -0.644 55.832 56.400 0.128 0.000 0.759 451 E CB 2.824 32.569 29.700 0.075 0.000 1.182 451 E HN 0.742 nan 8.360 nan 0.000 0.418 452 E N 2.838 123.115 120.200 0.128 0.000 2.167 452 E HA 0.072 4.412 4.350 -0.017 0.000 0.284 452 E C -0.972 175.558 176.600 -0.116 0.000 1.016 452 E CA -0.267 56.129 56.400 -0.007 0.000 0.817 452 E CB 0.892 30.657 29.700 0.107 0.000 1.080 452 E HN 0.394 nan 8.360 nan 0.000 0.397 453 E N 4.402 124.461 120.200 -0.236 0.000 2.133 453 E HA 0.167 4.506 4.350 -0.017 0.000 0.274 453 E C -1.242 175.240 176.600 -0.196 0.000 0.930 453 E CA -0.796 55.505 56.400 -0.164 0.000 0.770 453 E CB 0.887 30.510 29.700 -0.128 0.000 1.104 453 E HN 0.438 nan 8.360 nan 0.000 0.403 454 D N 2.648 122.978 120.400 -0.117 0.000 2.350 454 D HA 0.244 4.873 4.640 -0.017 0.000 0.245 454 D C -0.468 175.806 176.300 -0.043 0.000 1.036 454 D CA -0.555 53.387 54.000 -0.097 0.000 0.848 454 D CB 2.139 42.897 40.800 -0.071 0.000 1.307 454 D HN 0.156 nan 8.370 nan 0.000 0.469 455 V N 1.546 121.439 119.914 -0.035 0.000 2.715 455 V HA 0.167 4.276 4.120 -0.017 0.000 0.299 455 V C 0.172 176.277 176.094 0.018 0.000 1.054 455 V CA -0.177 62.127 62.300 0.008 0.000 1.077 455 V CB 1.379 33.181 31.823 -0.035 0.000 0.972 455 V HN 0.263 nan 8.190 nan 0.000 0.484 456 V N 6.277 126.232 119.914 0.068 0.000 2.407 456 V HA 0.446 4.556 4.120 -0.017 0.000 0.291 456 V C 0.204 176.353 176.094 0.091 0.000 1.018 456 V CA -0.815 61.521 62.300 0.059 0.000 0.842 456 V CB 1.476 33.330 31.823 0.051 0.000 0.996 456 V HN 0.800 nan 8.190 nan 0.000 0.426 457 R N 3.422 123.955 120.500 0.054 0.000 2.490 457 R HA 0.554 4.883 4.340 -0.017 0.000 0.278 457 R C -0.499 175.838 176.300 0.061 0.000 1.069 457 R CA -0.439 55.699 56.100 0.063 0.000 1.080 457 R CB 1.136 31.448 30.300 0.020 0.000 1.030 457 R HN 0.682 nan 8.270 nan 0.000 0.491 458 Q N 0.491 120.335 119.800 0.074 0.000 2.345 458 Q HA 0.296 4.625 4.340 -0.017 0.000 0.268 458 Q C -0.770 175.254 176.000 0.039 0.000 1.054 458 Q CA -0.712 55.122 55.803 0.051 0.000 0.835 458 Q CB 2.566 31.335 28.738 0.052 0.000 1.339 458 Q HN 0.458 nan 8.270 nan 0.000 0.447 459 T N 2.119 116.689 114.554 0.027 0.000 2.869 459 T HA 0.255 4.594 4.350 -0.017 0.000 0.295 459 T C 0.005 174.716 174.700 0.019 0.000 0.987 459 T CA -0.370 61.742 62.100 0.020 0.000 1.109 459 T CB 0.478 69.355 68.868 0.015 0.000 0.932 459 T HN 0.469 nan 8.240 nan 0.000 0.518 460 M N 3.115 122.726 119.600 0.018 0.000 2.219 460 M HA 0.464 4.934 4.480 -0.017 0.000 0.353 460 M C 0.471 176.777 176.300 0.011 0.000 1.304 460 M CA 0.818 56.127 55.300 0.015 0.000 1.115 460 M CB -0.412 32.197 32.600 0.015 0.000 1.664 460 M HN 0.901 nan 8.290 nan 0.000 0.459 461 G N 4.350 113.156 108.800 0.009 0.000 2.398 461 G HA2 0.180 4.129 3.960 -0.017 0.000 0.251 461 G HA3 0.180 4.129 3.960 -0.017 0.000 0.251 461 G C -3.364 171.539 174.900 0.005 0.000 1.277 461 G CA -1.110 43.993 45.100 0.007 0.000 0.927 461 G HN 0.425 nan 8.290 nan 0.000 0.477 462 P HA 0.312 nan 4.420 nan 0.000 0.261 462 P C 0.976 178.277 177.300 0.001 0.000 1.183 462 P CA 2.375 65.477 63.100 0.002 0.000 0.761 462 P CB 0.616 32.318 31.700 0.002 0.000 0.785 463 G N 2.909 111.708 108.800 -0.000 0.000 2.205 463 G HA2 -0.277 3.673 3.960 -0.017 0.000 0.261 463 G HA3 -0.277 3.673 3.960 -0.017 0.000 0.261 463 G C 0.513 175.411 174.900 -0.003 0.000 0.980 463 G CA 0.318 45.416 45.100 -0.003 0.000 0.632 463 G HN 0.657 nan 8.290 nan 0.000 0.533 464 N N 0.070 118.771 118.700 0.001 0.000 2.620 464 N HA 0.342 5.071 4.740 -0.017 0.000 0.277 464 N C 0.926 176.440 175.510 0.007 0.000 1.726 464 N CA 0.405 53.457 53.050 0.004 0.000 0.840 464 N CB 0.410 38.902 38.487 0.009 0.000 1.379 464 N HN 0.193 nan 8.380 nan 0.000 0.506 465 E N 0.034 120.237 120.200 0.004 0.000 2.160 465 E HA -0.027 4.313 4.350 -0.017 0.000 0.195 465 E C 1.090 177.694 176.600 0.008 0.000 0.991 465 E CA 1.201 57.604 56.400 0.005 0.000 0.810 465 E CB 0.134 29.835 29.700 0.003 0.000 0.742 465 E HN 0.378 nan 8.360 nan 0.000 0.466 466 R N -0.531 119.974 120.500 0.009 0.000 2.317 466 R HA 0.156 4.485 4.340 -0.017 0.000 0.208 466 R C 0.663 176.974 176.300 0.018 0.000 0.914 466 R CA 0.453 56.560 56.100 0.012 0.000 1.060 466 R CB 0.360 30.667 30.300 0.011 0.000 1.015 466 R HN 0.206 nan 8.270 nan 0.000 0.498 467 G N 2.408 111.219 108.800 0.020 0.000 2.323 467 G HA2 -0.347 3.602 3.960 -0.017 0.000 0.292 467 G HA3 -0.347 3.602 3.960 -0.017 0.000 0.292 467 G C 0.207 175.132 174.900 0.042 0.000 1.040 467 G CA 0.988 46.105 45.100 0.028 0.000 0.942 467 G HN 0.702 nan 8.290 nan 0.000 0.506 468 N N -1.233 117.494 118.700 0.045 0.000 2.273 468 N HA 0.517 5.246 4.740 -0.017 0.000 0.192 468 N C 1.188 176.757 175.510 0.097 0.000 1.132 468 N CA 0.543 53.635 53.050 0.070 0.000 0.887 468 N CB 0.445 38.961 38.487 0.048 0.000 1.048 468 N HN 0.803 nan 8.380 nan 0.000 0.490 469 A N 0.779 123.632 122.820 0.055 0.000 2.462 469 A HA 0.447 4.757 4.320 -0.017 0.000 0.243 469 A C -0.573 177.088 177.584 0.128 0.000 1.076 469 A CA -0.199 51.849 52.037 0.019 0.000 0.773 469 A CB -0.314 18.681 19.000 -0.009 0.000 1.010 469 A HN 0.499 nan 8.150 nan 0.000 0.493 470 F N 0.440 120.386 119.950 -0.006 0.000 2.619 470 F HA 0.802 5.320 4.527 -0.015 0.000 0.308 470 F C -0.295 175.500 175.800 -0.009 0.000 1.097 470 F CA -0.504 57.492 58.000 -0.008 0.000 0.953 470 F CB 1.022 40.017 39.000 -0.008 0.000 1.287 470 F HN 0.581 nan 8.300 nan 0.000 0.446 471 S N 1.244 117.070 115.700 0.209 0.000 3.081 471 S HA 0.884 5.343 4.470 -0.017 0.000 0.316 471 S C -1.380 173.308 174.600 0.147 0.000 1.089 471 S CA -0.807 57.444 58.200 0.084 0.000 0.897 471 S CB 1.472 64.689 63.200 0.027 0.000 1.358 471 S HN 1.089 nan 8.310 nan 0.000 0.678 472 R N 0.368 120.909 120.500 0.069 0.000 2.710 472 R HA 0.666 4.996 4.340 -0.017 0.000 0.270 472 R C -1.913 174.400 176.300 0.020 0.000 1.021 472 R CA -1.041 55.089 56.100 0.049 0.000 0.889 472 R CB 1.239 31.565 30.300 0.043 0.000 1.243 472 R HN 0.663 nan 8.270 nan 0.000 0.464 473 K N 1.442 121.845 120.400 0.006 0.000 2.469 473 K HA 0.586 4.896 4.320 -0.017 0.000 0.254 473 K C -1.157 175.437 176.600 -0.009 0.000 0.939 473 K CA -1.159 55.129 56.287 0.001 0.000 0.812 473 K CB 2.741 35.243 32.500 0.003 0.000 1.301 473 K HN 0.618 nan 8.250 nan 0.000 0.433 474 R N 1.112 121.611 120.500 -0.001 0.000 2.561 474 R HA 0.385 4.715 4.340 -0.017 0.000 0.297 474 R C -1.148 175.162 176.300 0.016 0.000 0.969 474 R CA -0.899 55.202 56.100 0.001 0.000 0.879 474 R CB 2.561 32.866 30.300 0.008 0.000 1.178 474 R HN 0.671 nan 8.270 nan 0.000 0.445 475 T N 2.233 116.803 114.554 0.027 0.000 2.786 475 T HA 0.243 4.583 4.350 -0.017 0.000 0.283 475 T C -0.027 174.710 174.700 0.063 0.000 0.992 475 T CA -0.629 61.495 62.100 0.041 0.000 0.954 475 T CB 1.572 70.466 68.868 0.042 0.000 0.934 475 T HN 0.142 nan 8.240 nan 0.000 0.440 476 V N 4.938 124.887 119.914 0.058 0.000 2.614 476 V HA 0.237 4.346 4.120 -0.017 0.000 0.291 476 V C 0.321 176.460 176.094 0.074 0.000 1.049 476 V CA -0.546 61.795 62.300 0.069 0.000 1.038 476 V CB 0.499 32.356 31.823 0.057 0.000 0.980 476 V HN 0.717 nan 8.190 nan 0.000 0.481 477 L N 5.280 126.556 121.223 0.089 0.000 2.268 477 L HA 0.285 4.614 4.340 -0.017 0.000 0.289 477 L C 1.459 178.373 176.870 0.074 0.000 1.064 477 L CA -0.176 54.715 54.840 0.084 0.000 0.824 477 L CB 1.053 43.172 42.059 0.100 0.000 1.202 477 L HN 0.917 nan 8.230 nan 0.000 0.433 478 T N -0.708 113.883 114.554 0.062 0.000 3.009 478 T HA 0.169 4.508 4.350 -0.017 0.000 0.258 478 T C 0.928 175.663 174.700 0.057 0.000 1.063 478 T CA 0.086 62.220 62.100 0.057 0.000 1.139 478 T CB 0.298 69.194 68.868 0.046 0.000 0.890 478 T HN 0.319 nan 8.240 nan 0.000 0.471 479 R N 0.772 121.306 120.500 0.056 0.000 2.795 479 R HA 0.486 4.815 4.340 -0.017 0.000 0.275 479 R C 0.648 176.987 176.300 0.065 0.000 0.981 479 R CA -0.711 55.423 56.100 0.057 0.000 0.917 479 R CB 1.203 31.530 30.300 0.046 0.000 1.202 479 R HN 0.216 nan 8.270 nan 0.000 0.469 480 E N 0.456 120.702 120.200 0.076 0.000 2.160 480 E HA -0.152 4.187 4.350 -0.017 0.000 0.195 480 E C 1.157 177.800 176.600 0.072 0.000 0.991 480 E CA 1.480 57.936 56.400 0.093 0.000 0.810 480 E CB 0.136 29.902 29.700 0.109 0.000 0.742 480 E HN 0.438 nan 8.360 nan 0.000 0.466 481 S N 0.988 116.720 115.700 0.053 0.000 2.402 481 S HA -0.189 4.270 4.470 -0.017 0.000 0.233 481 S C 1.548 176.157 174.600 0.015 0.000 1.030 481 S CA 1.542 59.762 58.200 0.034 0.000 1.003 481 S CB -0.212 63.005 63.200 0.029 0.000 0.813 481 S HN 0.461 nan 8.310 nan 0.000 0.477 482 E N -0.076 120.137 120.200 0.022 0.000 2.499 482 E HA 0.447 4.786 4.350 -0.017 0.000 0.199 482 E C 0.632 177.239 176.600 0.012 0.000 1.016 482 E CA 0.091 56.499 56.400 0.013 0.000 0.933 482 E CB 0.333 30.049 29.700 0.026 0.000 1.050 482 E HN 0.336 nan 8.360 nan 0.000 0.462 483 A N 1.026 123.854 122.820 0.012 0.000 2.507 483 A HA 0.294 4.603 4.320 -0.017 0.000 0.270 483 A C 0.284 177.820 177.584 -0.081 0.000 1.318 483 A CA -0.244 51.801 52.037 0.013 0.000 0.924 483 A CB 0.232 19.278 19.000 0.076 0.000 1.061 483 A HN 0.115 nan 8.150 nan 0.000 0.516 484 V N 2.807 122.605 119.914 -0.193 0.000 2.294 484 V HA 0.402 4.511 4.120 -0.017 0.000 0.272 484 V C -0.402 175.476 176.094 -0.359 0.000 1.027 484 V CA -0.691 61.311 62.300 -0.497 0.000 0.823 484 V CB 0.468 31.886 31.823 -0.675 0.000 1.030 484 V HN 0.463 nan 8.190 nan 0.000 0.457 485 R N 3.456 123.754 120.500 -0.336 0.000 2.832 485 R HA 0.668 4.998 4.340 -0.017 0.000 0.271 485 R C -0.220 176.034 176.300 -0.077 0.000 0.996 485 R CA -0.750 55.282 56.100 -0.114 0.000 0.977 485 R CB 2.177 32.520 30.300 0.072 0.000 1.168 485 R HN 0.885 nan 8.270 nan 0.000 0.482 486 E N 0.329 120.587 120.200 0.098 0.000 2.263 486 E HA 0.716 5.056 4.350 -0.017 0.000 0.264 486 E C -0.806 176.000 176.600 0.343 0.000 0.923 486 E CA -1.127 55.360 56.400 0.145 0.000 0.802 486 E CB 1.656 31.399 29.700 0.072 0.000 1.228 486 E HN 0.540 nan 8.360 nan 0.000 0.417 487 A N 1.204 124.221 122.820 0.329 0.000 2.366 487 A HA 0.254 4.564 4.320 -0.017 0.000 0.249 487 A C -0.314 177.372 177.584 0.170 0.000 1.084 487 A CA -0.116 52.130 52.037 0.349 0.000 0.794 487 A CB 0.355 19.543 19.000 0.315 0.000 1.034 487 A HN 0.688 nan 8.150 nan 0.000 0.491 488 D N 0.459 120.912 120.400 0.087 0.000 2.527 488 D HA 0.432 5.062 4.640 -0.017 0.000 0.242 488 D C 0.759 177.063 176.300 0.006 0.000 1.285 488 D CA 0.288 54.308 54.000 0.033 0.000 0.886 488 D CB 0.685 41.486 40.800 0.001 0.000 1.402 488 D HN 0.474 nan 8.370 nan 0.000 0.528 489 A N 2.789 125.631 122.820 0.037 0.000 1.940 489 A HA -0.183 4.127 4.320 -0.017 0.000 0.219 489 A C 2.080 179.664 177.584 0.000 0.000 1.176 489 A CA 1.435 53.490 52.037 0.030 0.000 0.631 489 A CB -0.230 18.802 19.000 0.053 0.000 0.814 489 A HN 0.492 nan 8.150 nan 0.000 0.446 490 R N -0.270 120.229 120.500 -0.002 0.000 2.105 490 R HA -0.127 4.202 4.340 -0.017 0.000 0.239 490 R C 1.595 177.873 176.300 -0.036 0.000 1.135 490 R CA 1.922 58.012 56.100 -0.017 0.000 0.967 490 R CB -0.334 29.960 30.300 -0.009 0.000 0.861 490 R HN 0.622 nan 8.270 nan 0.000 0.442 491 T N -3.458 111.072 114.554 -0.039 0.000 3.223 491 T HA 0.250 4.589 4.350 -0.017 0.000 0.259 491 T C 0.894 175.552 174.700 -0.070 0.000 1.015 491 T CA 0.153 62.221 62.100 -0.054 0.000 0.908 491 T CB 0.772 69.611 68.868 -0.048 0.000 1.054 491 T HN 0.365 nan 8.240 nan 0.000 0.567 492 G N 2.387 111.149 108.800 -0.064 0.000 2.321 492 G HA2 -0.359 3.590 3.960 -0.017 0.000 0.287 492 G HA3 -0.359 3.590 3.960 -0.017 0.000 0.287 492 G C 0.099 174.926 174.900 -0.122 0.000 1.018 492 G CA 0.251 45.312 45.100 -0.064 0.000 0.855 492 G HN 0.903 nan 8.290 nan 0.000 0.507 493 R N 0.660 121.050 120.500 -0.183 0.000 2.502 493 R HA 0.382 4.712 4.340 -0.017 0.000 0.292 493 R C 0.921 176.863 176.300 -0.597 0.000 0.998 493 R CA 1.168 57.038 56.100 -0.383 0.000 1.056 493 R CB 0.155 30.214 30.300 -0.401 0.000 0.939 493 R HN 0.493 nan 8.270 nan 0.000 0.411 494 T N 0.793 114.906 114.554 -0.735 0.000 2.804 494 T HA 0.544 4.884 4.350 -0.017 0.000 0.290 494 T C -1.053 173.112 174.700 -0.891 0.000 1.099 494 T CA -0.971 60.694 62.100 -0.726 0.000 1.011 494 T CB 1.248 69.875 68.868 -0.400 0.000 1.291 494 T HN 0.566 nan 8.240 nan 0.000 0.523 495 W N 0.512 121.762 121.300 -0.083 0.000 2.839 495 W HA 0.599 5.249 4.660 -0.017 0.000 0.334 495 W C -1.172 175.324 176.519 -0.039 0.000 1.064 495 W CA -1.155 56.165 57.345 -0.042 0.000 1.236 495 W CB 1.678 31.121 29.460 -0.028 0.000 1.405 495 W HN 0.586 nan 8.180 nan 0.000 0.478 496 I N 4.295 124.955 120.570 0.151 0.000 2.354 496 I HA 0.309 4.468 4.170 -0.017 0.000 0.292 496 I C -0.386 175.816 176.117 0.141 0.000 0.989 496 I CA -0.979 60.388 61.300 0.111 0.000 1.188 496 I CB 1.413 39.448 38.000 0.059 0.000 1.342 496 I HN 0.086 nan 8.210 nan 0.000 0.457 497 I N 6.080 126.738 120.570 0.148 0.000 2.330 497 I HA 0.303 4.463 4.170 -0.017 0.000 0.289 497 I C 0.237 176.439 176.117 0.142 0.000 1.001 497 I CA 0.229 61.611 61.300 0.138 0.000 1.193 497 I CB 1.356 39.430 38.000 0.125 0.000 1.345 497 I HN 0.564 nan 8.210 nan 0.000 0.461 498 S N 3.533 119.305 115.700 0.119 0.000 2.671 498 S HA 0.568 5.028 4.470 -0.017 0.000 0.299 498 S C -0.721 173.936 174.600 0.095 0.000 1.116 498 S CA -1.003 57.266 58.200 0.115 0.000 0.912 498 S CB 1.616 64.870 63.200 0.089 0.000 1.130 498 S HN 0.585 nan 8.310 nan 0.000 0.501 499 N N 1.658 120.408 118.700 0.083 0.000 2.511 499 N HA 0.378 5.108 4.740 -0.017 0.000 0.249 499 N C -1.887 173.645 175.510 0.037 0.000 0.971 499 N CA -2.480 50.604 53.050 0.057 0.000 0.938 499 N CB 1.363 39.874 38.487 0.041 0.000 1.131 499 N HN 0.408 nan 8.380 nan 0.000 0.505 500 P HA -0.076 nan 4.420 nan 0.000 0.239 500 P C -0.207 177.102 177.300 0.016 0.000 1.184 500 P CA 1.091 64.208 63.100 0.029 0.000 0.760 500 P CB 0.292 32.013 31.700 0.035 0.000 0.884 501 E N -1.104 119.104 120.200 0.012 0.000 2.538 501 E HA 0.147 4.486 4.350 -0.017 0.000 0.207 501 E C 0.036 176.627 176.600 -0.015 0.000 1.002 501 E CA -0.066 56.335 56.400 0.002 0.000 0.952 501 E CB 0.559 30.264 29.700 0.009 0.000 1.031 501 E HN -0.027 nan 8.360 nan 0.000 0.476 502 S N 1.276 116.961 115.700 -0.025 0.000 2.756 502 S HA 0.339 4.798 4.470 -0.017 0.000 0.303 502 S C -1.003 173.556 174.600 -0.068 0.000 1.135 502 S CA -0.705 57.460 58.200 -0.058 0.000 1.066 502 S CB 0.463 63.613 63.200 -0.083 0.000 1.008 502 S HN -0.031 nan 8.310 nan 0.000 0.482 503 K N 3.520 123.879 120.400 -0.068 0.000 2.203 503 K HA 0.404 4.714 4.320 -0.017 0.000 0.251 503 K C 0.321 176.870 176.600 -0.085 0.000 0.944 503 K CA -0.959 55.290 56.287 -0.063 0.000 0.829 503 K CB 1.336 33.814 32.500 -0.038 0.000 1.125 503 K HN 0.832 nan 8.250 nan 0.000 0.430 504 N N 1.006 119.658 118.700 -0.079 0.000 2.327 504 N HA 0.028 4.758 4.740 -0.017 0.000 0.257 504 N C 0.791 176.272 175.510 -0.049 0.000 1.281 504 N CA -0.636 52.365 53.050 -0.080 0.000 0.942 504 N CB 0.646 39.095 38.487 -0.063 0.000 1.199 504 N HN 0.594 nan 8.380 nan 0.000 0.532 505 R N -0.261 120.217 120.500 -0.037 0.000 2.241 505 R HA -0.059 4.270 4.340 -0.017 0.000 0.224 505 R C 0.971 177.260 176.300 -0.018 0.000 1.101 505 R CA 1.170 57.255 56.100 -0.024 0.000 0.995 505 R CB -0.627 29.664 30.300 -0.015 0.000 0.870 505 R HN 0.572 nan 8.270 nan 0.000 0.463 506 L N 1.063 122.276 121.223 -0.017 0.000 2.653 506 L HA 0.161 4.491 4.340 -0.017 0.000 0.231 506 L C 0.301 177.162 176.870 -0.014 0.000 1.153 506 L CA -0.095 54.737 54.840 -0.013 0.000 0.933 506 L CB -0.621 41.432 42.059 -0.010 0.000 1.175 506 L HN 0.423 nan 8.230 nan 0.000 0.473 507 N N 1.357 120.046 118.700 -0.019 0.000 2.747 507 N HA -0.158 4.572 4.740 -0.017 0.000 0.249 507 N C -0.352 175.150 175.510 -0.015 0.000 1.107 507 N CA 0.287 53.327 53.050 -0.017 0.000 0.707 507 N CB -0.028 38.451 38.487 -0.013 0.000 1.054 507 N HN 0.381 nan 8.380 nan 0.000 0.555 508 E N 0.318 120.508 120.200 -0.017 0.000 2.199 508 E HA 0.405 4.744 4.350 -0.017 0.000 0.269 508 E C -2.510 174.081 176.600 -0.014 0.000 0.899 508 E CA -1.715 54.679 56.400 -0.010 0.000 0.772 508 E CB 1.628 31.325 29.700 -0.006 0.000 1.155 508 E HN 0.118 nan 8.360 nan 0.000 0.408 509 P HA -0.066 nan 4.420 nan 0.000 0.264 509 P C -0.045 177.259 177.300 0.007 0.000 1.193 509 P CA -0.048 63.052 63.100 0.000 0.000 0.763 509 P CB 0.344 32.055 31.700 0.019 0.000 0.810 510 V N 1.831 121.737 119.914 -0.013 0.000 2.843 510 V HA 0.708 4.818 4.120 -0.017 0.000 0.305 510 V C 0.609 176.791 176.094 0.147 0.000 1.065 510 V CA 0.252 62.560 62.300 0.013 0.000 1.116 510 V CB 0.223 31.949 31.823 -0.160 0.000 0.968 510 V HN 0.740 nan 8.190 nan 0.000 0.487 511 G N 2.095 111.030 108.800 0.226 0.000 2.608 511 G HA2 0.604 4.554 3.960 -0.017 0.000 0.291 511 G HA3 0.604 4.554 3.960 -0.017 0.000 0.291 511 G C -2.316 172.702 174.900 0.196 0.000 1.425 511 G CA -0.741 44.492 45.100 0.222 0.000 0.787 511 G HN 0.743 nan 8.290 nan 0.000 0.484 512 Y N -0.102 120.220 120.300 0.036 0.000 2.457 512 Y HA 0.600 5.140 4.550 -0.017 0.000 0.343 512 Y C 0.089 176.007 175.900 0.030 0.000 0.994 512 Y CA -0.788 57.314 58.100 0.004 0.000 1.031 512 Y CB 2.788 41.221 38.460 -0.045 0.000 1.246 512 Y HN 0.505 nan 8.280 nan 0.000 0.449 513 K N 4.050 124.505 120.400 0.092 0.000 2.235 513 K HA 0.519 4.829 4.320 -0.017 0.000 0.266 513 K C -1.627 174.967 176.600 -0.012 0.000 0.980 513 K CA -0.857 55.427 56.287 -0.004 0.000 0.849 513 K CB 0.970 33.396 32.500 -0.122 0.000 1.098 513 K HN 0.627 nan 8.250 nan 0.000 0.445 514 L N 5.145 126.373 121.223 0.008 0.000 2.260 514 L HA 0.278 4.608 4.340 -0.017 0.000 0.289 514 L C -1.337 175.507 176.870 -0.044 0.000 1.057 514 L CA 0.082 54.968 54.840 0.076 0.000 0.811 514 L CB 0.424 42.562 42.059 0.131 0.000 1.184 514 L HN 0.654 nan 8.230 nan 0.000 0.429 515 H N 4.561 123.745 119.070 0.191 0.000 2.581 515 H HA 0.693 5.239 4.556 -0.018 0.000 0.308 515 H C -0.046 175.427 175.328 0.241 0.000 1.040 515 H CA -0.054 56.100 56.048 0.177 0.000 1.231 515 H CB 1.234 31.087 29.762 0.152 0.000 1.396 515 H HN 0.876 nan 8.280 nan 0.000 0.467 516 A N 2.283 125.308 122.820 0.342 0.000 2.279 516 A HA 0.201 4.510 4.320 -0.017 0.000 0.303 516 A C 0.382 178.264 177.584 0.497 0.000 1.108 516 A CA -0.575 51.702 52.037 0.400 0.000 0.830 516 A CB 0.473 19.749 19.000 0.460 0.000 1.106 516 A HN 1.015 nan 8.150 nan 0.000 0.493 517 H N 0.906 120.167 119.070 0.319 0.000 2.548 517 H HA -0.008 4.537 4.556 -0.018 0.000 0.268 517 H C -0.116 175.337 175.328 0.209 0.000 0.975 517 H CA 0.276 56.460 56.048 0.227 0.000 1.195 517 H CB 0.155 30.042 29.762 0.209 0.000 1.397 517 H HN 0.766 nan 8.280 nan 0.000 0.572 518 N N 1.983 120.911 118.700 0.380 0.000 2.740 518 N HA -0.169 4.561 4.740 -0.017 0.000 0.248 518 N C -0.601 175.043 175.510 0.224 0.000 1.062 518 N CA 0.531 53.751 53.050 0.283 0.000 0.704 518 N CB -0.929 37.686 38.487 0.213 0.000 0.968 518 N HN 0.534 nan 8.380 nan 0.000 0.547 519 Q N -0.104 119.843 119.800 0.244 0.000 2.368 519 Q HA 0.345 4.674 4.340 -0.017 0.000 0.237 519 Q C -1.873 174.206 176.000 0.131 0.000 0.987 519 Q CA -1.070 54.840 55.803 0.178 0.000 0.896 519 Q CB 0.291 29.146 28.738 0.194 0.000 1.241 519 Q HN 0.125 nan 8.270 nan 0.000 0.485 520 P HA -0.013 nan 4.420 nan 0.000 0.268 520 P C -0.230 177.085 177.300 0.026 0.000 1.205 520 P CA 0.265 63.395 63.100 0.051 0.000 0.771 520 P CB 0.510 32.226 31.700 0.026 0.000 0.858 521 T N 0.252 114.817 114.554 0.017 0.000 2.924 521 T HA 0.314 4.653 4.350 -0.017 0.000 0.301 521 T C 0.283 174.942 174.700 -0.068 0.000 1.120 521 T CA -0.890 61.200 62.100 -0.017 0.000 0.940 521 T CB 0.005 68.878 68.868 0.008 0.000 1.591 521 T HN 0.166 nan 8.240 nan 0.000 0.578 522 L N 1.156 122.313 121.223 -0.111 0.000 2.628 522 L HA 0.129 4.459 4.340 -0.017 0.000 0.274 522 L C 0.903 177.721 176.870 -0.086 0.000 1.209 522 L CA 0.285 55.043 54.840 -0.137 0.000 0.930 522 L CB -0.462 41.488 42.059 -0.181 0.000 1.183 522 L HN 0.625 nan 8.230 nan 0.000 0.492 523 L N 4.971 126.143 121.223 -0.084 0.000 2.341 523 L HA 0.175 4.505 4.340 -0.017 0.000 0.214 523 L C 1.459 178.310 176.870 -0.030 0.000 1.115 523 L CA 0.265 55.078 54.840 -0.044 0.000 0.820 523 L CB -0.531 41.507 42.059 -0.036 0.000 0.944 523 L HN 0.837 nan 8.230 nan 0.000 0.452 524 A N 0.789 123.580 122.820 -0.048 0.000 2.555 524 A HA -0.121 4.189 4.320 -0.017 0.000 0.233 524 A C 0.331 177.906 177.584 -0.014 0.000 1.060 524 A CA -0.030 51.991 52.037 -0.027 0.000 0.759 524 A CB -0.104 18.874 19.000 -0.037 0.000 0.995 524 A HN 0.293 nan 8.150 nan 0.000 0.506 525 D N 2.611 123.012 120.400 0.001 0.000 2.488 525 D HA 0.006 4.636 4.640 -0.017 0.000 0.238 525 D C -1.103 175.196 176.300 -0.002 0.000 1.138 525 D CA -0.783 53.220 54.000 0.004 0.000 0.873 525 D CB 0.841 41.649 40.800 0.013 0.000 1.183 525 D HN 0.305 nan 8.370 nan 0.000 0.458 526 P HA -0.100 nan 4.420 nan 0.000 0.223 526 P C 0.989 178.285 177.300 -0.007 0.000 1.144 526 P CA 0.825 63.920 63.100 -0.007 0.000 0.783 526 P CB 0.115 31.811 31.700 -0.005 0.000 0.771 527 G N -0.147 108.652 108.800 -0.002 0.000 3.042 527 G HA2 0.039 3.988 3.960 -0.017 0.000 0.212 527 G HA3 0.039 3.988 3.960 -0.017 0.000 0.212 527 G C 0.628 175.529 174.900 0.003 0.000 1.166 527 G CA 0.107 45.205 45.100 -0.002 0.000 0.767 527 G HN 0.440 nan 8.290 nan 0.000 0.546 528 S N -0.567 115.139 115.700 0.009 0.000 2.614 528 S HA 0.327 4.786 4.470 -0.017 0.000 0.265 528 S C 1.603 176.207 174.600 0.007 0.000 1.303 528 S CA 0.447 58.664 58.200 0.030 0.000 1.000 528 S CB 1.673 64.899 63.200 0.043 0.000 0.935 528 S HN 0.088 nan 8.310 nan 0.000 0.551 529 S N 0.600 116.309 115.700 0.016 0.000 2.356 529 S HA -0.145 4.315 4.470 -0.017 0.000 0.223 529 S C 1.704 176.274 174.600 -0.050 0.000 1.032 529 S CA 1.191 59.338 58.200 -0.088 0.000 1.005 529 S CB -0.840 62.188 63.200 -0.286 0.000 0.867 529 S HN 0.707 nan 8.310 nan 0.000 0.449 530 I N 2.057 122.642 120.570 0.025 0.000 2.361 530 I HA -0.006 4.154 4.170 -0.017 0.000 0.251 530 I C 2.343 178.459 176.117 -0.003 0.000 1.133 530 I CA 1.285 62.609 61.300 0.040 0.000 1.413 530 I CB -0.887 37.129 38.000 0.027 0.000 1.073 530 I HN 0.346 nan 8.210 nan 0.000 0.424 531 A N 0.311 123.117 122.820 -0.022 0.000 1.933 531 A HA -0.184 4.125 4.320 -0.017 0.000 0.218 531 A C 2.450 180.013 177.584 -0.037 0.000 1.175 531 A CA 1.592 53.605 52.037 -0.041 0.000 0.628 531 A CB -0.545 18.438 19.000 -0.029 0.000 0.814 531 A HN 0.463 nan 8.150 nan 0.000 0.444 532 R N -0.956 119.520 120.500 -0.040 0.000 2.093 532 R HA 0.048 4.378 4.340 -0.017 0.000 0.224 532 R C 2.322 178.583 176.300 -0.066 0.000 1.101 532 R CA 0.975 57.039 56.100 -0.059 0.000 0.979 532 R CB -0.208 30.042 30.300 -0.083 0.000 0.877 532 R HN 0.432 nan 8.270 nan 0.000 0.441 533 R N 0.294 120.771 120.500 -0.038 0.000 2.119 533 R HA 0.067 4.396 4.340 -0.017 0.000 0.222 533 R C 0.990 177.379 176.300 0.149 0.000 1.088 533 R CA 1.102 57.193 56.100 -0.015 0.000 0.984 533 R CB 0.194 30.500 30.300 0.011 0.000 0.884 533 R HN 0.055 nan 8.270 nan 0.000 0.447 534 A N 0.414 123.339 122.820 0.175 0.000 2.911 534 A HA 0.480 4.789 4.320 -0.017 0.000 0.304 534 A C 1.272 178.740 177.584 -0.194 0.000 1.144 534 A CA 0.022 52.126 52.037 0.112 0.000 0.988 534 A CB 0.229 19.195 19.000 -0.058 0.000 1.141 534 A HN 0.235 nan 8.150 nan 0.000 0.552 535 A N 0.334 123.122 122.820 -0.054 0.000 1.986 535 A HA -0.087 4.223 4.320 -0.017 0.000 0.220 535 A C 1.794 179.376 177.584 -0.002 0.000 1.171 535 A CA 1.832 53.849 52.037 -0.034 0.000 0.640 535 A CB -0.955 18.042 19.000 -0.005 0.000 0.811 535 A HN 1.343 nan 8.150 nan 0.000 0.451 536 F N -0.267 119.578 119.950 -0.176 0.000 2.202 536 F HA 0.037 4.554 4.527 -0.018 0.000 0.301 536 F C 2.038 177.918 175.800 0.133 0.000 1.082 536 F CA 0.823 58.649 58.000 -0.291 0.000 1.313 536 F CB -0.872 37.825 39.000 -0.506 0.000 1.024 536 F HN 0.148 nan 8.300 nan 0.000 0.495 537 A N 0.534 122.721 122.820 -1.056 0.000 2.209 537 A HA -0.021 4.289 4.320 -0.017 0.000 0.212 537 A C 2.108 179.557 177.584 -0.226 0.000 1.158 537 A CA 1.334 52.929 52.037 -0.736 0.000 0.742 537 A CB -1.480 16.925 19.000 -0.991 0.000 0.790 537 A HN 0.578 nan 8.150 nan 0.000 0.472 538 T N -3.545 110.966 114.554 -0.071 0.000 3.081 538 T HA 0.185 4.525 4.350 -0.017 0.000 0.255 538 T C 0.592 175.315 174.700 0.039 0.000 1.113 538 T CA 0.252 62.349 62.100 -0.005 0.000 1.082 538 T CB 0.098 68.976 68.868 0.016 0.000 0.939 538 T HN 0.092 nan 8.240 nan 0.000 0.506 539 K N 1.062 121.539 120.400 0.128 0.000 2.426 539 K HA 0.406 4.716 4.320 -0.017 0.000 0.251 539 K C -0.468 176.198 176.600 0.110 0.000 0.941 539 K CA -0.531 55.756 56.287 0.000 0.000 0.808 539 K CB 2.119 34.386 32.500 -0.390 0.000 1.265 539 K HN -0.046 nan 8.250 nan 0.000 0.432 540 D N 0.331 120.755 120.400 0.040 0.000 2.194 540 D HA -0.016 4.614 4.640 -0.017 0.000 0.204 540 D C -0.008 176.339 176.300 0.079 0.000 0.964 540 D CA 0.784 54.853 54.000 0.116 0.000 0.846 540 D CB 0.297 41.210 40.800 0.188 0.000 0.962 540 D HN 0.124 nan 8.370 nan 0.000 0.490 541 L N -0.374 120.741 121.223 -0.180 0.000 2.493 541 L HA 0.462 4.792 4.340 -0.017 0.000 0.265 541 L C -2.027 174.719 176.870 -0.207 0.000 0.954 541 L CA -0.618 54.079 54.840 -0.237 0.000 0.844 541 L CB 1.513 42.995 42.059 -0.961 0.000 1.302 541 L HN -0.134 nan 8.230 nan 0.000 0.405 542 W N 4.083 125.379 121.300 -0.006 0.000 2.936 542 W HA 0.776 5.425 4.660 -0.017 0.000 0.338 542 W C -1.214 175.419 176.519 0.190 0.000 1.121 542 W CA -0.843 56.538 57.345 0.060 0.000 1.209 542 W CB 2.030 31.506 29.460 0.027 0.000 1.420 542 W HN 0.176 nan 8.180 nan 0.000 0.516 543 V N 2.512 122.649 119.914 0.371 0.000 2.531 543 V HA 0.706 4.816 4.120 -0.017 0.000 0.301 543 V C -0.076 176.221 176.094 0.339 0.000 1.034 543 V CA -0.815 61.684 62.300 0.331 0.000 0.865 543 V CB 1.403 33.333 31.823 0.178 0.000 0.995 543 V HN 0.597 nan 8.190 nan 0.000 0.424 544 T N 1.574 116.375 114.554 0.413 0.000 2.930 544 T HA 0.763 5.103 4.350 -0.017 0.000 0.290 544 T C -0.457 174.384 174.700 0.234 0.000 1.052 544 T CA -0.964 61.334 62.100 0.330 0.000 1.017 544 T CB 2.141 71.267 68.868 0.430 0.000 1.137 544 T HN 0.509 nan 8.240 nan 0.000 0.511 545 R N 0.764 121.358 120.500 0.157 0.000 2.308 545 R HA 0.352 4.682 4.340 -0.017 0.000 0.305 545 R C -0.872 175.483 176.300 0.092 0.000 1.053 545 R CA -0.982 55.189 56.100 0.117 0.000 0.957 545 R CB -0.520 29.825 30.300 0.076 0.000 1.022 545 R HN 0.775 nan 8.270 nan 0.000 0.461 546 Y N 3.200 123.496 120.300 -0.006 0.000 2.712 546 Y HA 0.274 4.813 4.550 -0.017 0.000 0.333 546 Y C -0.763 175.084 175.900 -0.088 0.000 1.225 546 Y CA 0.960 59.026 58.100 -0.057 0.000 1.499 546 Y CB 0.440 38.829 38.460 -0.118 0.000 1.288 546 Y HN 0.749 nan 8.280 nan 0.000 0.575 547 A N 4.787 126.933 122.820 -1.123 0.000 2.517 547 A HA 0.291 4.601 4.320 -0.017 0.000 0.297 547 A C -0.052 176.889 177.584 -1.071 0.000 1.050 547 A CA -0.317 51.203 52.037 -0.861 0.000 0.694 547 A CB 0.639 19.349 19.000 -0.484 0.000 1.277 547 A HN 0.809 nan 8.150 nan 0.000 0.400 548 D N 1.217 121.195 120.400 -0.703 0.000 2.350 548 D HA -0.134 4.495 4.640 -0.017 0.000 0.216 548 D C 0.439 176.559 176.300 -0.300 0.000 0.968 548 D CA 1.447 55.208 54.000 -0.398 0.000 0.894 548 D CB 0.065 40.803 40.800 -0.104 0.000 0.909 548 D HN 0.534 nan 8.370 nan 0.000 0.520 549 D N -0.247 119.958 120.400 -0.326 0.000 2.402 549 D HA -0.005 4.625 4.640 -0.017 0.000 0.216 549 D C -0.245 175.845 176.300 -0.350 0.000 1.128 549 D CA -0.272 53.572 54.000 -0.259 0.000 0.833 549 D CB -0.571 40.120 40.800 -0.181 0.000 0.971 549 D HN 0.210 nan 8.370 nan 0.000 0.503 550 E N 0.812 120.724 120.200 -0.479 0.000 2.261 550 E HA 0.325 4.665 4.350 -0.017 0.000 0.239 550 E C 0.545 177.017 176.600 -0.214 0.000 0.991 550 E CA -0.254 55.778 56.400 -0.613 0.000 0.847 550 E CB 1.178 30.322 29.700 -0.927 0.000 1.223 550 E HN 0.086 nan 8.360 nan 0.000 0.446 551 R N 0.858 121.199 120.500 -0.265 0.000 2.146 551 R HA 0.109 4.438 4.340 -0.017 0.000 0.206 551 R C -0.081 175.923 176.300 -0.492 0.000 1.049 551 R CA 0.730 56.513 56.100 -0.528 0.000 1.029 551 R CB 0.517 30.178 30.300 -1.066 0.000 0.949 551 R HN 0.275 nan 8.270 nan 0.000 0.471 552 Y N -0.279 120.137 120.300 0.194 0.000 2.499 552 Y HA 0.298 4.838 4.550 -0.017 0.000 0.347 552 Y C -1.783 174.075 175.900 -0.070 0.000 0.987 552 Y CA -3.109 55.054 58.100 0.105 0.000 1.044 552 Y CB 1.202 39.618 38.460 -0.073 0.000 1.245 552 Y HN -0.151 nan 8.280 nan 0.000 0.461 553 P HA -0.088 nan 4.420 nan 0.000 0.226 553 P C 0.646 177.662 177.300 -0.475 0.000 1.153 553 P CA 1.455 64.179 63.100 -0.626 0.000 0.777 553 P CB 0.151 31.372 31.700 -0.799 0.000 0.794 554 T N -4.852 109.540 114.554 -0.270 0.000 3.044 554 T HA 0.504 4.843 4.350 -0.017 0.000 0.260 554 T C 0.917 175.530 174.700 -0.145 0.000 1.019 554 T CA 0.129 62.115 62.100 -0.190 0.000 0.921 554 T CB 0.024 68.786 68.868 -0.176 0.000 1.053 554 T HN 0.333 nan 8.240 nan 0.000 0.533 555 G N 1.379 110.135 108.800 -0.073 0.000 2.710 555 G HA2 -0.156 3.793 3.960 -0.017 0.000 0.668 555 G HA3 -0.156 3.793 3.960 -0.017 0.000 0.668 555 G C -0.246 174.626 174.900 -0.048 0.000 1.320 555 G CA -0.126 44.962 45.100 -0.020 0.000 0.860 555 G HN 0.131 nan 8.290 nan 0.000 0.538 556 D N -0.618 119.646 120.400 -0.225 0.000 2.183 556 D HA 0.089 4.719 4.640 -0.017 0.000 0.203 556 D C 0.829 176.562 176.300 -0.946 0.000 0.969 556 D CA 1.432 55.079 54.000 -0.588 0.000 0.842 556 D CB -0.052 40.133 40.800 -1.026 0.000 0.957 556 D HN 0.225 nan 8.370 nan 0.000 0.484 557 F N -0.030 119.766 119.950 -0.256 0.000 2.430 557 F HA 0.234 4.751 4.527 -0.017 0.000 0.362 557 F C 1.022 176.664 175.800 -0.264 0.000 1.103 557 F CA -0.694 57.112 58.000 -0.323 0.000 1.045 557 F CB 1.437 40.176 39.000 -0.435 0.000 1.276 557 F HN -0.363 nan 8.300 nan 0.000 0.444 558 V N 0.191 120.029 119.914 -0.127 0.000 2.599 558 V HA -0.081 4.029 4.120 -0.017 0.000 0.245 558 V C 1.117 177.110 176.094 -0.169 0.000 1.046 558 V CA 0.353 62.518 62.300 -0.225 0.000 1.065 558 V CB -0.458 31.093 31.823 -0.455 0.000 0.703 558 V HN 0.670 nan 8.190 nan 0.000 0.464 559 N N 1.721 120.357 118.700 -0.107 0.000 2.315 559 N HA -0.092 4.637 4.740 -0.017 0.000 0.270 559 N C 0.539 176.028 175.510 -0.035 0.000 1.329 559 N CA 0.764 53.773 53.050 -0.069 0.000 0.860 559 N CB -0.287 38.160 38.487 -0.067 0.000 1.095 559 N HN 0.482 nan 8.380 nan 0.000 0.487 560 Q N -0.145 119.639 119.800 -0.027 0.000 2.461 560 Q HA -0.312 4.018 4.340 -0.017 0.000 0.273 560 Q C -0.940 175.058 176.000 -0.003 0.000 1.163 560 Q CA 0.911 56.700 55.803 -0.024 0.000 0.929 560 Q CB -1.746 26.979 28.738 -0.021 0.000 1.334 560 Q HN 0.699 nan 8.270 nan 0.000 0.499 561 H N 0.053 119.039 119.070 -0.139 0.000 2.459 561 H HA 0.489 5.034 4.556 -0.017 0.000 0.332 561 H C 0.210 175.446 175.328 -0.153 0.000 1.094 561 H CA -0.005 55.962 56.048 -0.135 0.000 1.224 561 H CB 0.935 30.623 29.762 -0.125 0.000 1.449 561 H HN 0.225 nan 8.280 nan 0.000 0.484 562 S N 2.775 118.125 115.700 -0.584 0.000 2.625 562 S HA 0.401 4.860 4.470 -0.017 0.000 0.258 562 S C 0.955 175.166 174.600 -0.648 0.000 1.256 562 S CA -0.360 57.541 58.200 -0.498 0.000 0.983 562 S CB 0.265 63.270 63.200 -0.324 0.000 1.032 562 S HN 0.834 nan 8.310 nan 0.000 0.572 563 G N -1.838 106.739 108.800 -0.371 0.000 2.634 563 G HA2 0.485 4.434 3.960 -0.017 0.000 0.255 563 G HA3 0.485 4.434 3.960 -0.017 0.000 0.255 563 G C 0.812 175.554 174.900 -0.262 0.000 1.205 563 G CA -0.310 44.620 45.100 -0.284 0.000 0.884 563 G HN 1.885 nan 8.290 nan 0.000 0.549 564 G N -1.700 106.998 108.800 -0.169 0.000 2.551 564 G HA2 0.365 4.314 3.960 -0.017 0.000 0.186 564 G HA3 0.365 4.314 3.960 -0.017 0.000 0.186 564 G C 0.343 175.218 174.900 -0.041 0.000 1.002 564 G CA 0.738 45.786 45.100 -0.085 0.000 0.723 564 G HN 1.726 nan 8.290 nan 0.000 0.481 565 A N -0.481 122.313 122.820 -0.043 0.000 2.578 565 A HA 1.084 5.394 4.320 -0.017 0.000 0.255 565 A C 1.410 178.806 177.584 -0.313 0.000 1.251 565 A CA 0.924 52.915 52.037 -0.075 0.000 0.882 565 A CB 0.523 19.570 19.000 0.079 0.000 1.416 565 A HN 2.228 nan 8.150 nan 0.000 0.462 566 G N -1.741 106.750 108.800 -0.514 0.000 2.645 566 G HA2 -0.148 3.802 3.960 -0.017 0.000 0.239 566 G HA3 -0.148 3.802 3.960 -0.017 0.000 0.239 566 G C 0.755 174.753 174.900 -1.504 0.000 1.331 566 G CA 0.128 44.692 45.100 -0.894 0.000 0.890 566 G HN 1.232 nan 8.290 nan 0.000 0.572 567 L N 1.013 121.505 121.223 -1.217 0.000 2.021 567 L HA -0.122 4.207 4.340 -0.017 0.000 0.215 567 L C 0.315 176.813 176.870 -0.620 0.000 1.074 567 L CA 2.644 56.829 54.840 -1.091 0.000 0.760 567 L CB -1.310 39.884 42.059 -1.442 0.000 0.889 567 L HN 0.441 nan 8.230 nan 0.000 0.433 568 P HA -0.155 nan 4.420 nan 0.000 0.218 568 P C 1.767 178.996 177.300 -0.118 0.000 1.148 568 P CA 1.747 64.777 63.100 -0.116 0.000 0.822 568 P CB -0.007 31.645 31.700 -0.080 0.000 0.784 569 S N -2.444 113.111 115.700 -0.242 0.000 2.395 569 S HA -0.139 4.320 4.470 -0.017 0.000 0.225 569 S C 1.871 176.481 174.600 0.016 0.000 1.027 569 S CA 0.663 58.794 58.200 -0.115 0.000 0.965 569 S CB -1.540 61.588 63.200 -0.120 0.000 0.812 569 S HN -0.013 nan 8.310 nan 0.000 0.482 570 Y N 2.314 122.554 120.300 -0.100 0.000 2.114 570 Y HA 0.058 4.598 4.550 -0.017 0.000 0.284 570 Y C 2.555 178.437 175.900 -0.030 0.000 1.143 570 Y CA -0.392 57.656 58.100 -0.087 0.000 1.135 570 Y CB -1.162 37.206 38.460 -0.154 0.000 0.980 570 Y HN 0.197 nan 8.280 nan 0.000 0.499 571 I N 0.212 120.870 120.570 0.147 0.000 2.248 571 I HA -0.302 3.858 4.170 -0.017 0.000 0.248 571 I C 2.480 178.656 176.117 0.098 0.000 1.107 571 I CA 1.504 62.888 61.300 0.140 0.000 1.373 571 I CB -1.652 36.465 38.000 0.195 0.000 1.055 571 I HN 0.153 nan 8.210 nan 0.000 0.418 572 A N 0.097 122.962 122.820 0.074 0.000 2.076 572 A HA -0.233 4.077 4.320 -0.017 0.000 0.220 572 A C 2.151 179.765 177.584 0.050 0.000 1.160 572 A CA 1.244 53.312 52.037 0.052 0.000 0.653 572 A CB -0.608 18.413 19.000 0.035 0.000 0.801 572 A HN 0.558 nan 8.150 nan 0.000 0.455 573 Q N -1.322 118.515 119.800 0.061 0.000 2.364 573 Q HA -0.121 4.209 4.340 -0.017 0.000 0.207 573 Q C 0.155 176.182 176.000 0.045 0.000 0.970 573 Q CA 0.556 56.387 55.803 0.048 0.000 0.888 573 Q CB -0.121 28.645 28.738 0.046 0.000 0.951 573 Q HN 0.617 nan 8.270 nan 0.000 0.469 574 D N 0.762 121.195 120.400 0.055 0.000 2.686 574 D HA -0.174 4.456 4.640 -0.017 0.000 0.235 574 D C -0.923 175.407 176.300 0.048 0.000 1.160 574 D CA 0.606 54.637 54.000 0.052 0.000 0.645 574 D CB -0.549 40.275 40.800 0.040 0.000 1.039 574 D HN 0.222 nan 8.370 nan 0.000 0.423 575 R N 0.383 120.916 120.500 0.055 0.000 2.637 575 R HA 0.323 4.653 4.340 -0.017 0.000 0.269 575 R C 0.239 176.572 176.300 0.056 0.000 1.089 575 R CA -0.594 55.536 56.100 0.050 0.000 1.177 575 R CB 0.406 30.735 30.300 0.047 0.000 1.091 575 R HN 0.156 nan 8.270 nan 0.000 0.540 576 D N 1.853 122.283 120.400 0.050 0.000 2.371 576 D HA 0.037 4.666 4.640 -0.017 0.000 0.256 576 D C 0.519 176.858 176.300 0.064 0.000 1.193 576 D CA -0.044 53.987 54.000 0.053 0.000 0.881 576 D CB 0.563 41.390 40.800 0.044 0.000 1.143 576 D HN 0.545 nan 8.370 nan 0.000 0.473 577 I N -0.142 120.471 120.570 0.072 0.000 4.147 577 I HA 0.335 4.495 4.170 -0.017 0.000 0.329 577 I C 0.259 176.425 176.117 0.081 0.000 1.424 577 I CA -0.485 60.866 61.300 0.085 0.000 1.127 577 I CB 0.459 38.519 38.000 0.101 0.000 1.128 577 I HN 0.079 nan 8.210 nan 0.000 0.417 578 D N 3.084 123.525 120.400 0.068 0.000 2.483 578 D HA 0.337 4.967 4.640 -0.017 0.000 0.220 578 D C 1.081 177.417 176.300 0.061 0.000 1.173 578 D CA 0.571 54.609 54.000 0.064 0.000 0.964 578 D CB 0.290 41.122 40.800 0.054 0.000 1.046 578 D HN 0.552 nan 8.370 nan 0.000 0.517 579 G N 3.147 111.988 108.800 0.068 0.000 2.370 579 G HA2 -0.180 3.769 3.960 -0.017 0.000 0.268 579 G HA3 -0.180 3.769 3.960 -0.017 0.000 0.268 579 G C -0.070 174.873 174.900 0.071 0.000 1.122 579 G CA -0.300 44.840 45.100 0.066 0.000 0.963 579 G HN 0.477 nan 8.290 nan 0.000 0.500 580 Q N -0.788 119.062 119.800 0.083 0.000 2.857 580 Q HA 0.403 4.732 4.340 -0.017 0.000 0.319 580 Q C -1.001 175.064 176.000 0.107 0.000 0.963 580 Q CA -0.903 54.950 55.803 0.084 0.000 0.770 580 Q CB 0.909 29.691 28.738 0.073 0.000 1.492 580 Q HN 0.231 nan 8.270 nan 0.000 0.493 581 D N 1.842 122.295 120.400 0.087 0.000 2.344 581 D HA 0.312 4.941 4.640 -0.017 0.000 0.253 581 D C -0.388 175.983 176.300 0.118 0.000 1.255 581 D CA 0.035 54.081 54.000 0.075 0.000 0.894 581 D CB -0.297 40.431 40.800 -0.121 0.000 1.067 581 D HN 0.429 nan 8.370 nan 0.000 0.492 582 I N 0.050 120.706 120.570 0.143 0.000 3.067 582 I HA 0.701 4.861 4.170 -0.017 0.000 0.312 582 I C -0.934 175.255 176.117 0.120 0.000 1.073 582 I CA -1.086 60.300 61.300 0.143 0.000 1.016 582 I CB 2.204 40.282 38.000 0.130 0.000 1.227 582 I HN -0.081 nan 8.210 nan 0.000 0.456 583 V N 3.344 123.322 119.914 0.107 0.000 2.638 583 V HA 0.435 4.545 4.120 -0.017 0.000 0.306 583 V C -0.259 175.806 176.094 -0.048 0.000 1.052 583 V CA -0.671 61.604 62.300 -0.042 0.000 0.885 583 V CB 1.911 33.644 31.823 -0.149 0.000 0.999 583 V HN 0.572 nan 8.190 nan 0.000 0.424 584 V N 3.343 123.166 119.914 -0.151 0.000 2.435 584 V HA 0.476 4.586 4.120 -0.017 0.000 0.290 584 V C -1.179 174.829 176.094 -0.143 0.000 1.030 584 V CA -0.469 61.811 62.300 -0.033 0.000 0.881 584 V CB 1.651 33.461 31.823 -0.022 0.000 0.983 584 V HN 0.921 nan 8.190 nan 0.000 0.445 585 W N 3.990 125.338 121.300 0.081 0.000 2.336 585 W HA 0.508 5.158 4.660 -0.017 0.000 0.315 585 W C -0.160 176.459 176.519 0.167 0.000 1.016 585 W CA -0.628 56.768 57.345 0.085 0.000 1.318 585 W CB 0.509 29.992 29.460 0.037 0.000 1.247 585 W HN 0.603 nan 8.180 nan 0.000 0.414 586 H N 1.683 120.835 119.070 0.137 0.000 2.519 586 H HA 0.491 5.037 4.556 -0.017 0.000 0.316 586 H C -0.327 175.176 175.328 0.290 0.000 1.065 586 H CA -0.246 55.846 56.048 0.074 0.000 1.264 586 H CB 0.991 30.593 29.762 -0.267 0.000 1.413 586 H HN 0.164 nan 8.280 nan 0.000 0.465 587 T N 7.465 122.041 114.554 0.037 0.000 2.771 587 T HA 0.399 4.739 4.350 -0.017 0.000 0.291 587 T C -1.002 173.618 174.700 -0.134 0.000 0.954 587 T CA -0.225 61.912 62.100 0.061 0.000 1.045 587 T CB -0.428 68.566 68.868 0.211 0.000 0.917 587 T HN 0.494 nan 8.240 nan 0.000 0.484 588 F N 0.207 120.049 119.950 -0.181 0.000 2.615 588 F HA 0.844 5.361 4.527 -0.017 0.000 0.312 588 F C -0.244 175.646 175.800 0.151 0.000 1.119 588 F CA -1.145 56.807 58.000 -0.079 0.000 0.979 588 F CB 1.053 39.970 39.000 -0.137 0.000 1.266 588 F HN 0.760 nan 8.300 nan 0.000 0.444 589 G N 1.965 110.858 108.800 0.154 0.000 2.606 589 G HA2 0.617 4.566 3.960 -0.017 0.000 0.300 589 G HA3 0.617 4.566 3.960 -0.017 0.000 0.300 589 G C -2.432 172.533 174.900 0.107 0.000 1.360 589 G CA -1.168 44.008 45.100 0.127 0.000 0.783 589 G HN 0.818 nan 8.290 nan 0.000 0.484 590 L N 0.495 121.739 121.223 0.035 0.000 2.317 590 L HA 0.575 4.905 4.340 -0.017 0.000 0.281 590 L C -0.118 176.591 176.870 -0.268 0.000 1.024 590 L CA -0.641 54.144 54.840 -0.092 0.000 0.810 590 L CB 2.314 44.252 42.059 -0.201 0.000 1.240 590 L HN 0.403 nan 8.230 nan 0.000 0.427 591 T N 1.068 115.481 114.554 -0.235 0.000 2.756 591 T HA 0.367 4.706 4.350 -0.017 0.000 0.290 591 T C -0.587 173.869 174.700 -0.407 0.000 0.985 591 T CA -0.411 61.461 62.100 -0.380 0.000 0.955 591 T CB 0.130 68.821 68.868 -0.295 0.000 0.930 591 T HN 0.415 nan 8.240 nan 0.000 0.451 592 H N 2.071 120.698 119.070 -0.739 0.000 2.476 592 H HA 0.382 4.927 4.556 -0.017 0.000 0.328 592 H C -0.956 173.838 175.328 -0.890 0.000 1.073 592 H CA -0.923 54.695 56.048 -0.716 0.000 1.229 592 H CB 0.988 30.347 29.762 -0.672 0.000 1.432 592 H HN 0.450 nan 8.280 nan 0.000 0.477 593 F N 3.690 123.511 119.950 -0.215 0.000 2.451 593 F HA 0.264 4.781 4.527 -0.018 0.000 0.367 593 F C -2.154 173.609 175.800 -0.063 0.000 1.100 593 F CA -2.644 55.139 58.000 -0.362 0.000 1.171 593 F CB 0.708 39.375 39.000 -0.555 0.000 1.405 593 F HN 0.390 nan 8.300 nan 0.000 0.482 594 P HA 0.077 nan 4.420 nan 0.000 0.263 594 P C -0.281 177.111 177.300 0.154 0.000 1.175 594 P CA 0.213 63.418 63.100 0.174 0.000 0.761 594 P CB 0.653 32.515 31.700 0.270 0.000 0.794 595 R N 1.519 122.075 120.500 0.093 0.000 2.758 595 R HA 0.358 4.688 4.340 -0.017 0.000 0.265 595 R C 1.169 177.521 176.300 0.088 0.000 1.016 595 R CA -1.011 55.133 56.100 0.073 0.000 1.040 595 R CB 0.427 30.752 30.300 0.042 0.000 1.152 595 R HN 0.086 nan 8.270 nan 0.000 0.503 596 V N 1.248 121.203 119.914 0.068 0.000 2.469 596 V HA -0.221 3.889 4.120 -0.017 0.000 0.251 596 V C 1.400 177.567 176.094 0.121 0.000 1.064 596 V CA 1.860 64.216 62.300 0.094 0.000 1.066 596 V CB -0.560 31.295 31.823 0.053 0.000 0.667 596 V HN 0.695 nan 8.190 nan 0.000 0.461 597 E N -0.085 120.159 120.200 0.073 0.000 2.409 597 E HA -0.153 4.186 4.350 -0.017 0.000 0.198 597 E C 1.641 178.270 176.600 0.049 0.000 1.024 597 E CA 0.781 57.210 56.400 0.049 0.000 0.861 597 E CB -0.210 29.502 29.700 0.020 0.000 0.788 597 E HN 0.570 nan 8.360 nan 0.000 0.521 598 D N -1.001 119.451 120.400 0.087 0.000 2.347 598 D HA -0.063 4.567 4.640 -0.017 0.000 0.213 598 D C -0.240 176.153 176.300 0.154 0.000 0.985 598 D CA 0.263 54.314 54.000 0.086 0.000 0.879 598 D CB 0.154 41.010 40.800 0.094 0.000 0.919 598 D HN 0.215 nan 8.370 nan 0.000 0.526 599 W N 2.375 123.673 121.300 -0.002 0.000 2.551 599 W HA 0.205 4.855 4.660 -0.017 0.000 0.330 599 W C -1.852 174.679 176.519 0.019 0.000 1.063 599 W CA -1.945 55.408 57.345 0.013 0.000 1.222 599 W CB 1.976 31.447 29.460 0.018 0.000 1.349 599 W HN -0.186 nan 8.180 nan 0.000 0.536 600 P HA 0.087 nan 4.420 nan 0.000 0.231 600 P C 0.037 176.886 177.300 -0.751 0.000 1.168 600 P CA 0.874 63.066 63.100 -1.515 0.000 0.779 600 P CB 1.440 32.551 31.700 -0.981 0.000 0.844 601 I N -0.202 120.104 120.570 -0.439 0.000 2.569 601 I HA 0.288 4.448 4.170 -0.017 0.000 0.290 601 I C -0.570 175.396 176.117 -0.251 0.000 1.088 601 I CA -1.553 59.493 61.300 -0.424 0.000 1.047 601 I CB 2.242 39.747 38.000 -0.824 0.000 1.237 601 I HN -0.301 nan 8.210 nan 0.000 0.421 602 M N 9.402 128.897 119.600 -0.174 0.000 2.219 602 M HA 0.277 4.746 4.480 -0.017 0.000 0.353 602 M C -2.270 173.968 176.300 -0.102 0.000 1.304 602 M CA -1.293 53.948 55.300 -0.098 0.000 1.115 602 M CB 0.220 32.786 32.600 -0.056 0.000 1.664 602 M HN 0.291 nan 8.290 nan 0.000 0.459 603 P HA 0.163 nan 4.420 nan 0.000 0.277 603 P C -0.542 176.736 177.300 -0.036 0.000 1.240 603 P CA -0.487 62.576 63.100 -0.061 0.000 0.798 603 P CB 0.745 32.416 31.700 -0.048 0.000 0.979 604 V N 2.706 122.609 119.914 -0.018 0.000 2.584 604 V HA -0.075 4.034 4.120 -0.017 0.000 0.303 604 V C 0.763 176.864 176.094 0.011 0.000 1.035 604 V CA 1.155 63.461 62.300 0.010 0.000 1.172 604 V CB -0.451 31.388 31.823 0.026 0.000 0.896 604 V HN 0.634 nan 8.190 nan 0.000 0.486 605 D N 3.032 123.453 120.400 0.036 0.000 2.342 605 D HA 0.665 5.294 4.640 -0.017 0.000 0.243 605 D C -0.165 176.166 176.300 0.051 0.000 1.019 605 D CA -0.202 53.840 54.000 0.070 0.000 0.864 605 D CB 2.093 42.994 40.800 0.168 0.000 1.315 605 D HN 0.711 nan 8.370 nan 0.000 0.468 606 T N -0.873 113.708 114.554 0.045 0.000 2.916 606 T HA 0.777 5.116 4.350 -0.017 0.000 0.292 606 T C -0.823 173.917 174.700 0.066 0.000 1.055 606 T CA -0.810 61.292 62.100 0.005 0.000 1.009 606 T CB 1.559 70.405 68.868 -0.037 0.000 1.118 606 T HN 0.250 nan 8.240 nan 0.000 0.497 607 V N -0.232 119.701 119.914 0.033 0.000 3.204 607 V HA 0.885 4.995 4.120 -0.017 0.000 0.298 607 V C -0.199 175.902 176.094 0.010 0.000 1.328 607 V CA 0.513 62.907 62.300 0.157 0.000 1.035 607 V CB 1.740 33.700 31.823 0.230 0.000 1.095 607 V HN 1.672 nan 8.190 nan 0.000 0.442 608 G N 2.445 111.112 108.800 -0.222 0.000 2.393 608 G HA2 0.694 4.644 3.960 -0.017 0.000 0.264 608 G HA3 0.694 4.644 3.960 -0.017 0.000 0.264 608 G C -1.450 172.885 174.900 -0.942 0.000 1.221 608 G CA 0.230 44.987 45.100 -0.572 0.000 0.912 608 G HN 1.968 nan 8.290 nan 0.000 0.483 609 F N -1.011 118.559 119.950 -0.634 0.000 2.842 609 F HA 0.839 5.355 4.527 -0.018 0.000 0.319 609 F C -1.125 174.657 175.800 -0.030 0.000 1.159 609 F CA -0.924 56.891 58.000 -0.310 0.000 0.902 609 F CB 1.417 40.260 39.000 -0.261 0.000 1.311 609 F HN 0.844 nan 8.300 nan 0.000 0.453 610 K N 1.017 121.550 120.400 0.221 0.000 2.555 610 K HA 0.844 5.153 4.320 -0.017 0.000 0.279 610 K C -2.465 174.361 176.600 0.378 0.000 0.986 610 K CA -1.063 55.339 56.287 0.192 0.000 0.880 610 K CB 2.678 35.271 32.500 0.156 0.000 1.474 610 K HN 0.758 nan 8.250 nan 0.000 0.433 611 L N 1.423 122.869 121.223 0.371 0.000 2.381 611 L HA 0.565 4.895 4.340 -0.017 0.000 0.274 611 L C -0.621 176.523 176.870 0.456 0.000 0.988 611 L CA -0.566 54.527 54.840 0.420 0.000 0.824 611 L CB 2.090 44.407 42.059 0.430 0.000 1.263 611 L HN 0.567 nan 8.230 nan 0.000 0.410 612 R N 3.281 123.977 120.500 0.327 0.000 2.637 612 R HA 0.542 4.872 4.340 -0.017 0.000 0.291 612 R C -2.556 173.542 176.300 -0.337 0.000 0.963 612 R CA -1.914 54.257 56.100 0.118 0.000 0.901 612 R CB 1.732 32.131 30.300 0.165 0.000 1.160 612 R HN 0.300 nan 8.270 nan 0.000 0.457 613 P HA -0.048 nan 4.420 nan 0.000 0.266 613 P C -0.739 176.350 177.300 -0.351 0.000 1.195 613 P CA 0.224 62.724 63.100 -1.001 0.000 0.768 613 P CB 0.785 32.217 31.700 -0.446 0.000 0.838 614 E N 2.087 122.134 120.200 -0.256 0.000 2.914 614 E HA 0.436 4.776 4.350 -0.017 0.000 0.246 614 E C 0.689 177.286 176.600 -0.005 0.000 1.146 614 E CA -0.356 56.003 56.400 -0.068 0.000 0.803 614 E CB -0.574 29.105 29.700 -0.037 0.000 1.409 614 E HN 0.670 nan 8.360 nan 0.000 0.392 615 G N 3.185 111.997 108.800 0.020 0.000 2.160 615 G HA2 -0.364 3.586 3.960 -0.017 0.000 0.251 615 G HA3 -0.364 3.586 3.960 -0.017 0.000 0.251 615 G C 0.514 175.432 174.900 0.030 0.000 1.008 615 G CA 0.419 45.537 45.100 0.030 0.000 0.724 615 G HN 0.538 nan 8.290 nan 0.000 0.514 616 F N 0.095 119.936 119.950 -0.181 0.000 2.187 616 F HA 0.474 4.990 4.527 -0.017 0.000 0.295 616 F C 1.372 176.929 175.800 -0.405 0.000 1.091 616 F CA 0.580 58.378 58.000 -0.335 0.000 1.308 616 F CB 0.042 38.719 39.000 -0.540 0.000 1.030 616 F HN 0.122 nan 8.300 nan 0.000 0.487 617 F N 0.415 120.408 119.950 0.072 0.000 2.380 617 F HA 0.213 4.729 4.527 -0.018 0.000 0.319 617 F C 1.373 177.145 175.800 -0.047 0.000 1.113 617 F CA -0.724 57.262 58.000 -0.023 0.000 1.056 617 F CB 0.307 39.299 39.000 -0.014 0.000 1.289 617 F HN -0.260 nan 8.300 nan 0.000 0.515 618 D N -0.061 120.438 120.400 0.164 0.000 2.350 618 D HA 0.084 4.714 4.640 -0.017 0.000 0.213 618 D C 0.256 176.591 176.300 0.059 0.000 1.031 618 D CA 0.530 54.571 54.000 0.068 0.000 0.861 618 D CB 0.304 41.126 40.800 0.037 0.000 0.926 618 D HN 0.510 nan 8.370 nan 0.000 0.520 619 R N -2.019 118.528 120.500 0.078 0.000 2.979 619 R HA 0.183 4.512 4.340 -0.017 0.000 0.286 619 R C -0.826 175.471 176.300 -0.004 0.000 0.972 619 R CA -0.742 55.374 56.100 0.028 0.000 0.828 619 R CB 0.323 30.626 30.300 0.005 0.000 1.368 619 R HN -0.163 nan 8.270 nan 0.000 0.511 620 S N 1.031 116.706 115.700 -0.042 0.000 2.563 620 S HA 0.099 4.558 4.470 -0.017 0.000 0.294 620 S C -1.238 173.255 174.600 -0.179 0.000 1.279 620 S CA -0.732 57.407 58.200 -0.102 0.000 1.069 620 S CB 0.460 63.624 63.200 -0.060 0.000 0.828 620 S HN 0.516 nan 8.310 nan 0.000 0.497 621 P HA 0.096 nan 4.420 nan 0.000 0.249 621 P C 0.583 177.778 177.300 -0.174 0.000 1.229 621 P CA 0.246 63.083 63.100 -0.438 0.000 0.788 621 P CB -0.193 30.792 31.700 -1.191 0.000 1.072 622 V N -4.085 115.769 119.914 -0.101 0.000 3.043 622 V HA 0.238 4.348 4.120 -0.017 0.000 0.357 622 V C 1.542 177.656 176.094 0.033 0.000 1.372 622 V CA -0.080 62.214 62.300 -0.011 0.000 1.214 622 V CB -0.833 31.006 31.823 0.027 0.000 1.224 622 V HN -0.126 nan 8.190 nan 0.000 0.507 623 L N 1.213 122.447 121.223 0.018 0.000 2.376 623 L HA 0.028 4.358 4.340 -0.017 0.000 0.219 623 L C 2.083 178.991 176.870 0.063 0.000 1.133 623 L CA 1.426 56.299 54.840 0.055 0.000 0.816 623 L CB -0.265 41.804 42.059 0.017 0.000 0.933 623 L HN 0.560 nan 8.230 nan 0.000 0.449 624 D N -0.718 119.701 120.400 0.031 0.000 2.328 624 D HA -0.009 4.621 4.640 -0.017 0.000 0.221 624 D C 0.632 176.941 176.300 0.015 0.000 1.072 624 D CA 0.017 54.030 54.000 0.021 0.000 0.850 624 D CB -0.234 40.567 40.800 0.002 0.000 0.922 624 D HN -0.005 nan 8.370 nan 0.000 0.516 625 V N 3.293 123.222 119.914 0.025 0.000 2.521 625 V HA 0.175 4.284 4.120 -0.017 0.000 0.286 625 V C -1.480 174.615 176.094 0.001 0.000 1.034 625 V CA -1.006 61.297 62.300 0.006 0.000 1.045 625 V CB 0.914 32.745 31.823 0.014 0.000 0.974 625 V HN 0.176 nan 8.190 nan 0.000 0.480 626 P HA 0.256 nan 4.420 nan 0.000 0.279 626 P C 0.766 178.037 177.300 -0.048 0.000 1.282 626 P CA 0.031 63.119 63.100 -0.020 0.000 0.788 626 P CB 0.884 32.576 31.700 -0.014 0.000 1.139 627 A N 0.675 123.465 122.820 -0.051 0.000 1.883 627 A HA -0.314 3.996 4.320 -0.017 0.000 0.226 627 A C 1.029 178.572 177.584 -0.068 0.000 1.512 627 A CA 2.244 54.240 52.037 -0.068 0.000 0.738 627 A CB -1.974 17.001 19.000 -0.041 0.000 0.848 627 A HN 0.811 nan 8.150 nan 0.000 0.477 628 N N 0.000 118.679 118.700 -0.035 0.000 1.763 628 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 628 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 628 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667