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 2d1w_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 PIRSWQNYFA 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 0.000 177.576 177.584 -0.014 0.000 1.274 9 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 9 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 10 S N 2.386 118.085 115.700 -0.001 0.000 2.525 10 S HA 0.335 4.794 4.470 -0.019 0.000 0.285 10 S C -0.842 173.735 174.600 -0.038 0.000 1.283 10 S CA -0.257 57.952 58.200 0.015 0.000 1.072 10 S CB 0.770 64.006 63.200 0.061 0.000 0.867 10 S HN 0.318 nan 8.310 nan 0.000 0.492 11 P HA 0.044 nan 4.420 nan 0.000 0.242 11 P C 0.157 177.106 177.300 -0.585 0.000 1.197 11 P CA 0.657 63.547 63.100 -0.349 0.000 0.765 11 P CB -0.092 31.342 31.700 -0.443 0.000 0.936 12 F N 0.544 120.421 119.950 -0.121 0.000 2.639 12 F HA 0.228 4.744 4.527 -0.018 0.000 0.302 12 F C 1.483 177.201 175.800 -0.137 0.000 1.097 12 F CA -0.802 57.076 58.000 -0.204 0.000 1.294 12 F CB -0.090 38.782 39.000 -0.214 0.000 1.027 12 F HN -0.170 nan 8.300 nan 0.000 0.550 13 R N 0.538 121.050 120.500 0.020 0.000 2.694 13 R HA 0.303 4.632 4.340 -0.019 0.000 0.268 13 R C -0.120 176.192 176.300 0.019 0.000 1.061 13 R CA -0.490 55.632 56.100 0.037 0.000 1.133 13 R CB 0.493 30.808 30.300 0.025 0.000 1.020 13 R HN 0.140 nan 8.270 nan 0.000 0.475 14 L N 1.399 122.650 121.223 0.046 0.000 2.473 14 L HA 0.144 4.473 4.340 -0.019 0.000 0.268 14 L C 0.772 177.679 176.870 0.061 0.000 1.215 14 L CA -0.209 54.663 54.840 0.055 0.000 0.823 14 L CB 0.432 42.526 42.059 0.059 0.000 1.099 14 L HN 0.849 nan 8.230 nan 0.000 0.483 15 A N 1.888 124.761 122.820 0.089 0.000 2.462 15 A HA 0.389 4.698 4.320 -0.019 0.000 0.243 15 A C 0.281 177.936 177.584 0.118 0.000 1.076 15 A CA -0.227 51.914 52.037 0.173 0.000 0.773 15 A CB 0.174 19.335 19.000 0.267 0.000 1.010 15 A HN 0.743 nan 8.150 nan 0.000 0.493 16 S N 1.282 117.045 115.700 0.106 0.000 2.687 16 S HA 0.615 5.074 4.470 -0.019 0.000 0.283 16 S C 1.146 175.757 174.600 0.017 0.000 1.170 16 S CA -0.189 58.039 58.200 0.047 0.000 1.008 16 S CB 1.520 64.740 63.200 0.033 0.000 1.026 16 S HN 1.544 nan 8.310 nan 0.000 0.541 17 A N 1.527 124.347 122.820 -0.001 0.000 1.933 17 A HA 0.138 4.447 4.320 -0.019 0.000 0.218 17 A C 2.130 179.689 177.584 -0.041 0.000 1.175 17 A CA 1.738 53.764 52.037 -0.019 0.000 0.628 17 A CB -1.791 17.200 19.000 -0.014 0.000 0.814 17 A HN 1.159 nan 8.150 nan 0.000 0.444 18 G N -0.435 108.344 108.800 -0.035 0.000 2.418 18 G HA2 -0.232 3.716 3.960 -0.019 0.000 0.217 18 G HA3 -0.232 3.716 3.960 -0.019 0.000 0.217 18 G C 1.423 176.266 174.900 -0.095 0.000 1.158 18 G CA 1.008 46.078 45.100 -0.051 0.000 0.771 18 G HN 0.659 nan 8.290 nan 0.000 0.545 19 E N -0.031 120.106 120.200 -0.105 0.000 2.077 19 E HA -0.074 4.265 4.350 -0.019 0.000 0.193 19 E C 2.514 178.854 176.600 -0.434 0.000 0.989 19 E CA 0.624 56.881 56.400 -0.238 0.000 0.800 19 E CB -0.147 29.474 29.700 -0.131 0.000 0.746 19 E HN 0.495 nan 8.360 nan 0.000 0.452 20 I N 0.728 121.117 120.570 -0.302 0.000 2.226 20 I HA -0.247 3.912 4.170 -0.019 0.000 0.245 20 I C 2.385 178.376 176.117 -0.210 0.000 1.100 20 I CA 0.784 61.913 61.300 -0.286 0.000 1.374 20 I CB -0.164 37.757 38.000 -0.131 0.000 1.057 20 I HN -0.008 nan 8.210 nan 0.000 0.413 21 S N 0.094 115.709 115.700 -0.141 0.000 2.399 21 S HA -0.217 4.241 4.470 -0.019 0.000 0.231 21 S C 1.872 176.403 174.600 -0.115 0.000 1.022 21 S CA 1.381 59.521 58.200 -0.099 0.000 0.983 21 S CB -0.197 62.963 63.200 -0.067 0.000 0.803 21 S HN 0.382 nan 8.310 nan 0.000 0.480 22 E N 1.236 121.344 120.200 -0.153 0.000 2.047 22 E HA -0.077 4.262 4.350 -0.019 0.000 0.191 22 E C 1.908 178.410 176.600 -0.164 0.000 0.987 22 E CA 0.981 57.295 56.400 -0.144 0.000 0.799 22 E CB -0.377 29.231 29.700 -0.155 0.000 0.752 22 E HN 0.229 nan 8.360 nan 0.000 0.449 23 V N 1.022 120.780 119.914 -0.260 0.000 2.287 23 V HA -0.310 3.799 4.120 -0.019 0.000 0.248 23 V C 2.603 178.623 176.094 -0.124 0.000 1.053 23 V CA 2.328 64.489 62.300 -0.232 0.000 1.027 23 V CB -0.684 30.929 31.823 -0.351 0.000 0.646 23 V HN 0.430 nan 8.190 nan 0.000 0.447 24 Q N 0.017 119.750 119.800 -0.112 0.000 2.061 24 Q HA -0.196 4.133 4.340 -0.019 0.000 0.204 24 Q C 2.250 178.226 176.000 -0.041 0.000 0.984 24 Q CA 2.191 57.961 55.803 -0.056 0.000 0.846 24 Q CB -0.511 28.202 28.738 -0.041 0.000 0.902 24 Q HN 0.658 nan 8.270 nan 0.000 0.421 25 G N 1.210 109.978 108.800 -0.053 0.000 2.418 25 G HA2 -0.212 3.737 3.960 -0.019 0.000 0.217 25 G HA3 -0.212 3.737 3.960 -0.019 0.000 0.217 25 G C 1.412 176.293 174.900 -0.033 0.000 1.158 25 G CA 0.797 45.874 45.100 -0.039 0.000 0.771 25 G HN 0.316 nan 8.290 nan 0.000 0.545 26 I N 0.996 121.541 120.570 -0.042 0.000 2.179 26 I HA -0.087 4.071 4.170 -0.019 0.000 0.242 26 I C 2.865 178.973 176.117 -0.015 0.000 1.088 26 I CA 0.837 62.119 61.300 -0.029 0.000 1.357 26 I CB -1.196 36.784 38.000 -0.034 0.000 1.051 26 I HN 0.165 nan 8.210 nan 0.000 0.409 27 L N -0.054 121.160 121.223 -0.015 0.000 2.046 27 L HA -0.195 4.134 4.340 -0.019 0.000 0.208 27 L C 2.815 179.687 176.870 0.003 0.000 1.077 27 L CA 1.302 56.142 54.840 0.001 0.000 0.747 27 L CB -0.617 41.445 42.059 0.005 0.000 0.896 27 L HN 0.175 nan 8.230 nan 0.000 0.432 28 R N -0.560 119.938 120.500 -0.002 0.000 2.073 28 R HA -0.132 4.197 4.340 -0.019 0.000 0.234 28 R C 2.322 178.621 176.300 -0.002 0.000 1.134 28 R CA 1.946 58.046 56.100 0.000 0.000 0.952 28 R CB -0.600 29.698 30.300 -0.003 0.000 0.850 28 R HN 0.306 nan 8.270 nan 0.000 0.433 29 T N 0.620 115.171 114.554 -0.006 0.000 2.788 29 T HA -0.120 4.219 4.350 -0.019 0.000 0.268 29 T C 1.704 176.402 174.700 -0.003 0.000 1.044 29 T CA 1.392 63.488 62.100 -0.006 0.000 1.139 29 T CB -0.126 68.736 68.868 -0.009 0.000 0.867 29 T HN 0.362 nan 8.240 nan 0.000 0.454 30 A N 0.321 123.141 122.820 -0.000 0.000 2.235 30 A HA 0.476 4.785 4.320 -0.019 0.000 0.208 30 A C 1.906 179.493 177.584 0.004 0.000 1.172 30 A CA 0.870 52.909 52.037 0.003 0.000 0.786 30 A CB -0.816 18.189 19.000 0.007 0.000 0.804 30 A HN 0.743 nan 8.150 nan 0.000 0.479 31 G N -1.274 107.528 108.800 0.003 0.000 2.147 31 G HA2 -0.236 3.713 3.960 -0.019 0.000 0.244 31 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.244 31 G C 0.498 175.401 174.900 0.006 0.000 1.005 31 G CA 0.491 45.593 45.100 0.003 0.000 0.713 31 G HN 0.537 nan 8.290 nan 0.000 0.515 32 L N -1.280 119.949 121.223 0.010 0.000 2.640 32 L HA 0.492 4.821 4.340 -0.019 0.000 0.230 32 L C 1.032 177.914 176.870 0.019 0.000 1.123 32 L CA 0.060 54.909 54.840 0.015 0.000 0.900 32 L CB 0.606 42.679 42.059 0.023 0.000 1.146 32 L HN 0.189 nan 8.230 nan 0.000 0.484 33 L N 0.520 121.754 121.223 0.018 0.000 2.725 33 L HA 0.504 4.833 4.340 -0.019 0.000 0.270 33 L C 0.598 177.485 176.870 0.030 0.000 1.422 33 L CA -0.165 54.691 54.840 0.028 0.000 0.770 33 L CB 0.490 42.568 42.059 0.031 0.000 1.081 33 L HN -0.044 nan 8.230 nan 0.000 0.527 34 G N 0.478 109.291 108.800 0.021 0.000 2.611 34 G HA2 0.302 4.251 3.960 -0.019 0.000 0.273 34 G HA3 0.302 4.251 3.960 -0.019 0.000 0.273 34 G C -1.562 173.359 174.900 0.035 0.000 1.305 34 G CA -0.454 44.657 45.100 0.019 0.000 1.010 34 G HN 0.358 nan 8.290 nan 0.000 0.509 35 P HA -0.106 nan 4.420 nan 0.000 0.223 35 P C 1.092 178.430 177.300 0.063 0.000 1.144 35 P CA 1.209 64.337 63.100 0.046 0.000 0.783 35 P CB 0.238 31.948 31.700 0.017 0.000 0.771 36 E N -0.551 119.667 120.200 0.031 0.000 2.479 36 E HA 0.030 4.369 4.350 -0.019 0.000 0.193 36 E C 0.227 176.818 176.600 -0.014 0.000 1.049 36 E CA 0.280 56.685 56.400 0.008 0.000 0.870 36 E CB -0.038 29.649 29.700 -0.022 0.000 0.944 36 E HN 0.116 nan 8.360 nan 0.000 0.492 37 K N 1.434 121.845 120.400 0.018 0.000 2.098 37 K HA 0.430 4.738 4.320 -0.019 0.000 0.261 37 K C 0.196 176.823 176.600 0.044 0.000 0.987 37 K CA -0.632 55.660 56.287 0.008 0.000 0.916 37 K CB 1.356 33.869 32.500 0.022 0.000 1.039 37 K HN -0.042 nan 8.250 nan 0.000 0.455 38 R N 1.368 121.888 120.500 0.034 0.000 2.651 38 R HA 0.391 4.720 4.340 -0.019 0.000 0.278 38 R C -0.541 175.780 176.300 0.035 0.000 1.010 38 R CA -1.060 55.042 56.100 0.002 0.000 0.896 38 R CB 1.066 31.385 30.300 0.032 0.000 1.211 38 R HN 0.421 nan 8.270 nan 0.000 0.456 39 I N 2.155 122.709 120.570 -0.027 0.000 2.322 39 I HA 0.141 4.300 4.170 -0.019 0.000 0.292 39 I C 1.370 177.493 176.117 0.009 0.000 1.060 39 I CA 0.312 61.616 61.300 0.006 0.000 1.309 39 I CB 1.331 39.308 38.000 -0.038 0.000 1.415 39 I HN 0.791 nan 8.210 nan 0.000 0.492 40 A N 6.018 128.904 122.820 0.109 0.000 2.081 40 A HA 0.098 4.407 4.320 -0.019 0.000 0.214 40 A C 0.330 178.022 177.584 0.180 0.000 1.158 40 A CA 0.786 52.900 52.037 0.128 0.000 0.724 40 A CB 0.031 19.151 19.000 0.201 0.000 0.826 40 A HN 0.610 nan 8.150 nan 0.000 0.463 41 Y N -1.927 118.376 120.300 0.005 0.000 2.521 41 Y HA 0.570 5.109 4.550 -0.019 0.000 0.332 41 Y C -1.814 173.965 175.900 -0.203 0.000 1.121 41 Y CA -1.228 56.774 58.100 -0.163 0.000 1.037 41 Y CB 1.219 39.433 38.460 -0.410 0.000 1.330 41 Y HN 0.159 nan 8.280 nan 0.000 0.452 42 L N 5.262 125.764 121.223 -1.201 0.000 2.543 42 L HA 0.962 5.291 4.340 -0.019 0.000 0.265 42 L C -1.255 175.063 176.870 -0.919 0.000 0.945 42 L CA -0.215 54.139 54.840 -0.810 0.000 0.869 42 L CB 2.056 43.936 42.059 -0.297 0.000 1.294 42 L HN 0.951 nan 8.230 nan 0.000 0.405 43 G N 2.756 111.200 108.800 -0.594 0.000 2.720 43 G HA2 0.469 4.418 3.960 -0.019 0.000 0.295 43 G HA3 0.469 4.418 3.960 -0.019 0.000 0.295 43 G C -1.823 172.885 174.900 -0.321 0.000 1.437 43 G CA -0.519 44.386 45.100 -0.326 0.000 0.886 43 G HN 0.532 nan 8.290 nan 0.000 0.509 44 V N 1.509 121.077 119.914 -0.577 0.000 2.775 44 V HA 0.535 4.644 4.120 -0.019 0.000 0.299 44 V C 0.162 175.979 176.094 -0.461 0.000 1.062 44 V CA -0.449 61.230 62.300 -1.035 0.000 1.063 44 V CB 0.809 32.062 31.823 -0.950 0.000 0.994 44 V HN 0.568 nan 8.190 nan 0.000 0.483 45 L N 5.427 126.410 121.223 -0.399 0.000 2.292 45 L HA 0.427 4.756 4.340 -0.019 0.000 0.284 45 L C -0.038 176.718 176.870 -0.190 0.000 1.065 45 L CA -0.683 54.042 54.840 -0.191 0.000 0.806 45 L CB 1.156 43.145 42.059 -0.118 0.000 1.175 45 L HN 0.650 nan 8.230 nan 0.000 0.431 46 D N 4.150 124.487 120.400 -0.105 0.000 2.382 46 D HA 0.163 4.792 4.640 -0.019 0.000 0.240 46 D C -1.944 174.282 176.300 -0.124 0.000 1.146 46 D CA -0.810 53.130 54.000 -0.100 0.000 0.897 46 D CB 0.320 41.165 40.800 0.074 0.000 1.197 46 D HN 0.297 nan 8.370 nan 0.000 0.432 47 P HA 0.172 nan 4.420 nan 0.000 0.269 47 P C -0.744 176.523 177.300 -0.055 0.000 1.209 47 P CA -0.405 62.594 63.100 -0.167 0.000 0.776 47 P CB 0.630 32.165 31.700 -0.275 0.000 0.876 48 A N 4.050 126.846 122.820 -0.040 0.000 2.366 48 A HA 0.218 4.526 4.320 -0.019 0.000 0.250 48 A C 0.706 178.272 177.584 -0.031 0.000 1.099 48 A CA -0.344 51.686 52.037 -0.010 0.000 0.794 48 A CB 0.053 19.050 19.000 -0.006 0.000 1.056 48 A HN 0.455 nan 8.150 nan 0.000 0.499 49 R N 0.010 120.473 120.500 -0.061 0.000 2.590 49 R HA 0.426 4.755 4.340 -0.019 0.000 0.274 49 R C 0.732 177.000 176.300 -0.054 0.000 1.061 49 R CA 1.193 57.218 56.100 -0.126 0.000 1.081 49 R CB -0.300 29.851 30.300 -0.247 0.000 0.984 49 R HN 1.834 nan 8.270 nan 0.000 0.448 50 G N 0.774 109.560 108.800 -0.023 0.000 2.764 50 G HA2 -0.154 3.795 3.960 -0.019 0.000 0.686 50 G HA3 -0.154 3.795 3.960 -0.019 0.000 0.686 50 G C -0.209 174.697 174.900 0.009 0.000 1.258 50 G CA -0.354 44.748 45.100 0.004 0.000 0.846 50 G HN 0.779 nan 8.290 nan 0.000 0.596 51 A N 2.245 125.076 122.820 0.017 0.000 2.897 51 A HA 0.602 4.911 4.320 -0.019 0.000 0.287 51 A C 1.738 179.323 177.584 0.001 0.000 1.748 51 A CA 1.392 53.435 52.037 0.010 0.000 1.397 51 A CB -0.624 18.385 19.000 0.015 0.000 1.049 51 A HN 2.260 nan 8.150 nan 0.000 0.592 52 G N 1.153 109.950 108.800 -0.006 0.000 2.707 52 G HA2 0.084 4.033 3.960 -0.019 0.000 0.204 52 G HA3 0.084 4.033 3.960 -0.019 0.000 0.204 52 G C 0.819 175.714 174.900 -0.009 0.000 1.435 52 G CA 0.548 45.644 45.100 -0.008 0.000 0.890 52 G HN 0.620 nan 8.290 nan 0.000 0.552 53 S N 0.650 116.341 115.700 -0.014 0.000 2.552 53 S HA 0.052 4.511 4.470 -0.019 0.000 0.289 53 S C 1.332 175.924 174.600 -0.012 0.000 1.304 53 S CA 0.221 58.413 58.200 -0.013 0.000 1.063 53 S CB 1.480 64.669 63.200 -0.018 0.000 0.848 53 S HN 0.594 nan 8.310 nan 0.000 0.499 54 E N 2.106 122.300 120.200 -0.009 0.000 2.086 54 E HA -0.236 4.103 4.350 -0.019 0.000 0.205 54 E C 0.843 177.437 176.600 -0.011 0.000 1.027 54 E CA 1.482 57.877 56.400 -0.007 0.000 0.830 54 E CB 0.019 29.715 29.700 -0.006 0.000 0.751 54 E HN 0.752 nan 8.360 nan 0.000 0.456 55 A N 0.386 123.197 122.820 -0.015 0.000 2.452 55 A HA 0.379 4.688 4.320 -0.019 0.000 0.285 55 A C -0.848 176.717 177.584 -0.031 0.000 1.209 55 A CA -0.292 51.733 52.037 -0.020 0.000 0.940 55 A CB 0.680 19.670 19.000 -0.017 0.000 1.440 55 A HN 0.263 nan 8.150 nan 0.000 0.480 56 E N 0.333 120.508 120.200 -0.041 0.000 2.167 56 E HA 0.449 4.788 4.350 -0.019 0.000 0.284 56 E C -1.327 175.242 176.600 -0.053 0.000 1.016 56 E CA -0.325 56.036 56.400 -0.065 0.000 0.817 56 E CB 1.000 30.645 29.700 -0.092 0.000 1.080 56 E HN 0.384 nan 8.360 nan 0.000 0.397 57 D N 2.987 123.356 120.400 -0.052 0.000 2.317 57 D HA 0.132 4.761 4.640 -0.019 0.000 0.234 57 D C -0.646 175.632 176.300 -0.038 0.000 1.112 57 D CA -0.672 53.309 54.000 -0.031 0.000 0.840 57 D CB 0.561 41.348 40.800 -0.021 0.000 1.078 57 D HN 0.205 nan 8.370 nan 0.000 0.486 58 R N 3.944 124.440 120.500 -0.007 0.000 2.267 58 R HA 0.384 4.713 4.340 -0.019 0.000 0.319 58 R C 0.055 176.409 176.300 0.090 0.000 1.067 58 R CA -0.136 55.975 56.100 0.020 0.000 0.936 58 R CB 0.597 30.953 30.300 0.093 0.000 1.006 58 R HN 0.499 nan 8.270 nan 0.000 0.452 59 R N 2.276 122.791 120.500 0.024 0.000 2.740 59 R HA 0.525 4.854 4.340 -0.019 0.000 0.282 59 R C -0.805 175.504 176.300 0.016 0.000 0.969 59 R CA -0.702 55.452 56.100 0.089 0.000 0.918 59 R CB 1.640 31.950 30.300 0.016 0.000 1.175 59 R HN 0.249 nan 8.270 nan 0.000 0.464 60 F N 0.367 120.298 119.950 -0.032 0.000 2.563 60 F HA 0.505 5.021 4.527 -0.018 0.000 0.316 60 F C 0.160 175.949 175.800 -0.018 0.000 1.076 60 F CA -0.849 57.126 58.000 -0.042 0.000 0.921 60 F CB 2.010 40.972 39.000 -0.063 0.000 1.209 60 F HN 0.198 nan 8.300 nan 0.000 0.462 61 R N 1.748 122.320 120.500 0.119 0.000 2.514 61 R HA 0.884 5.213 4.340 -0.019 0.000 0.301 61 R C -2.010 174.332 176.300 0.070 0.000 0.962 61 R CA -0.537 55.637 56.100 0.123 0.000 0.882 61 R CB 1.627 32.009 30.300 0.136 0.000 1.143 61 R HN 0.549 nan 8.270 nan 0.000 0.452 62 V N 4.152 124.140 119.914 0.122 0.000 2.925 62 V HA 0.531 4.640 4.120 -0.019 0.000 0.311 62 V C -1.215 175.092 176.094 0.354 0.000 1.104 62 V CA -0.855 61.499 62.300 0.091 0.000 0.954 62 V CB 2.027 33.897 31.823 0.079 0.000 1.022 62 V HN 0.564 nan 8.190 nan 0.000 0.427 63 F N 4.055 124.158 119.950 0.254 0.000 2.402 63 F HA 0.608 5.124 4.527 -0.019 0.000 0.355 63 F C -0.104 175.790 175.800 0.156 0.000 1.123 63 F CA -1.758 56.388 58.000 0.243 0.000 1.021 63 F CB 1.441 40.630 39.000 0.315 0.000 1.160 63 F HN 0.137 nan 8.300 nan 0.000 0.451 64 I N 3.706 124.455 120.570 0.298 0.000 2.330 64 I HA 0.168 4.327 4.170 -0.019 0.000 0.289 64 I C 0.105 176.317 176.117 0.159 0.000 1.001 64 I CA -0.567 60.841 61.300 0.180 0.000 1.193 64 I CB 0.765 38.832 38.000 0.112 0.000 1.345 64 I HN 0.562 nan 8.210 nan 0.000 0.461 65 H N 5.843 124.943 119.070 0.051 0.000 2.482 65 H HA 0.388 4.932 4.556 -0.019 0.000 0.344 65 H C -0.976 174.354 175.328 0.004 0.000 1.151 65 H CA -0.162 55.895 56.048 0.014 0.000 1.300 65 H CB 1.208 30.974 29.762 0.006 0.000 1.494 65 H HN 0.541 nan 8.280 nan 0.000 0.542 66 D N 3.905 123.868 120.400 -0.730 0.000 2.481 66 D HA 0.084 4.712 4.640 -0.019 0.000 0.246 66 D C 0.910 176.763 176.300 -0.745 0.000 1.109 66 D CA -0.509 53.176 54.000 -0.525 0.000 0.845 66 D CB 1.507 42.160 40.800 -0.246 0.000 1.160 66 D HN 0.495 nan 8.370 nan 0.000 0.534 67 V N 2.136 121.781 119.914 -0.449 0.000 3.444 67 V HA -0.032 4.077 4.120 -0.019 0.000 0.271 67 V C 1.434 177.473 176.094 -0.093 0.000 1.188 67 V CA 1.513 63.695 62.300 -0.197 0.000 1.168 67 V CB -0.689 31.121 31.823 -0.022 0.000 0.810 67 V HN 0.478 nan 8.190 nan 0.000 0.500 68 S N -0.789 114.845 115.700 -0.111 0.000 2.535 68 S HA 0.501 4.960 4.470 -0.019 0.000 0.214 68 S C 1.648 176.217 174.600 -0.052 0.000 0.980 68 S CA 0.691 58.857 58.200 -0.057 0.000 0.907 68 S CB 0.543 63.714 63.200 -0.048 0.000 0.790 68 S HN 1.633 nan 8.310 nan 0.000 0.510 69 G N 0.732 109.487 108.800 -0.075 0.000 2.201 69 G HA2 -0.045 3.904 3.960 -0.019 0.000 0.212 69 G HA3 -0.045 3.904 3.960 -0.019 0.000 0.212 69 G C 0.350 175.217 174.900 -0.054 0.000 0.994 69 G CA -0.154 44.919 45.100 -0.045 0.000 0.644 69 G HN 1.180 nan 8.290 nan 0.000 0.508 70 A N 0.394 123.171 122.820 -0.072 0.000 2.429 70 A HA 0.639 4.948 4.320 -0.019 0.000 0.242 70 A C 0.881 178.424 177.584 -0.069 0.000 1.088 70 A CA 0.259 52.258 52.037 -0.063 0.000 0.784 70 A CB 0.176 19.139 19.000 -0.062 0.000 1.038 70 A HN 0.538 nan 8.150 nan 0.000 0.501 71 R N 1.274 121.739 120.500 -0.059 0.000 2.570 71 R HA 0.186 4.515 4.340 -0.019 0.000 0.277 71 R C -2.070 174.190 176.300 -0.068 0.000 1.039 71 R CA -0.881 55.179 56.100 -0.067 0.000 1.065 71 R CB 0.110 30.370 30.300 -0.067 0.000 0.964 71 R HN 0.605 nan 8.270 nan 0.000 0.428 72 P HA 0.060 nan 4.420 nan 0.000 0.277 72 P C -1.044 176.222 177.300 -0.058 0.000 1.271 72 P CA -0.296 62.775 63.100 -0.049 0.000 0.795 72 P CB 0.887 32.565 31.700 -0.037 0.000 1.101 73 Q N -1.026 118.772 119.800 -0.004 0.000 2.421 73 Q HA 0.388 4.716 4.340 -0.019 0.000 0.280 73 Q C -0.929 175.137 176.000 0.109 0.000 1.085 73 Q CA -0.683 55.132 55.803 0.020 0.000 0.807 73 Q CB 2.580 31.339 28.738 0.036 0.000 1.405 73 Q HN 0.432 nan 8.270 nan 0.000 0.419 74 E N 1.490 121.769 120.200 0.131 0.000 2.158 74 E HA 0.519 4.858 4.350 -0.019 0.000 0.271 74 E C -1.556 175.178 176.600 0.222 0.000 0.911 74 E CA -0.556 56.020 56.400 0.293 0.000 0.767 74 E CB 1.401 31.283 29.700 0.303 0.000 1.120 74 E HN 0.314 nan 8.360 nan 0.000 0.405 75 V N 3.121 123.180 119.914 0.242 0.000 2.709 75 V HA 0.428 4.537 4.120 -0.019 0.000 0.308 75 V C -0.255 175.931 176.094 0.153 0.000 1.062 75 V CA -0.856 61.539 62.300 0.158 0.000 0.901 75 V CB 2.026 33.919 31.823 0.118 0.000 1.003 75 V HN 0.848 nan 8.190 nan 0.000 0.425 76 T N 1.071 115.695 114.554 0.118 0.000 2.807 76 T HA 0.846 5.185 4.350 -0.019 0.000 0.279 76 T C -0.577 174.176 174.700 0.088 0.000 0.993 76 T CA -0.700 61.465 62.100 0.108 0.000 0.970 76 T CB 1.598 70.520 68.868 0.090 0.000 0.950 76 T HN 1.065 nan 8.240 nan 0.000 0.441 77 V N -0.481 119.493 119.914 0.101 0.000 3.040 77 V HA 0.903 5.012 4.120 -0.019 0.000 0.312 77 V C -0.233 175.918 176.094 0.095 0.000 1.115 77 V CA -0.961 61.385 62.300 0.077 0.000 0.998 77 V CB 1.845 33.697 31.823 0.049 0.000 1.042 77 V HN 1.034 nan 8.190 nan 0.000 0.433 78 S N 1.437 117.173 115.700 0.061 0.000 2.448 78 S HA 0.421 4.880 4.470 -0.019 0.000 0.320 78 S C 0.760 175.386 174.600 0.043 0.000 1.071 78 S CA -0.050 58.187 58.200 0.062 0.000 1.113 78 S CB 0.987 64.207 63.200 0.034 0.000 0.972 78 S HN 1.894 nan 8.310 nan 0.000 0.465 79 V N 3.686 123.637 119.914 0.062 0.000 2.809 79 V HA 0.022 4.131 4.120 -0.019 0.000 0.256 79 V C 1.847 177.941 176.094 0.001 0.000 1.080 79 V CA 1.765 64.063 62.300 -0.004 0.000 1.102 79 V CB -1.569 30.225 31.823 -0.049 0.000 0.705 79 V HN 0.784 nan 8.190 nan 0.000 0.475 80 T N 1.525 116.091 114.554 0.021 0.000 2.770 80 T HA -0.046 4.293 4.350 -0.019 0.000 0.263 80 T C 1.702 176.403 174.700 0.002 0.000 1.039 80 T CA 1.837 63.942 62.100 0.009 0.000 1.142 80 T CB -0.393 68.481 68.868 0.010 0.000 0.868 80 T HN 0.543 nan 8.240 nan 0.000 0.435 81 N N 0.573 119.276 118.700 0.005 0.000 2.412 81 N HA 0.128 4.857 4.740 -0.019 0.000 0.184 81 N C 1.341 176.850 175.510 -0.002 0.000 1.101 81 N CA 0.632 53.683 53.050 0.001 0.000 0.881 81 N CB 0.186 38.675 38.487 0.004 0.000 0.969 81 N HN 0.538 nan 8.380 nan 0.000 0.459 82 G N 1.591 110.388 108.800 -0.004 0.000 2.273 82 G HA2 -0.270 3.679 3.960 -0.019 0.000 0.280 82 G HA3 -0.270 3.679 3.960 -0.019 0.000 0.280 82 G C 0.146 175.043 174.900 -0.005 0.000 1.047 82 G CA 1.036 46.130 45.100 -0.010 0.000 0.869 82 G HN 0.522 nan 8.290 nan 0.000 0.502 83 T N -3.783 110.773 114.554 0.003 0.000 2.916 83 T HA 0.697 5.036 4.350 -0.019 0.000 0.292 83 T C -0.278 174.432 174.700 0.015 0.000 1.055 83 T CA -0.643 61.461 62.100 0.007 0.000 1.009 83 T CB 2.734 71.607 68.868 0.009 0.000 1.118 83 T HN 0.734 nan 8.240 nan 0.000 0.497 84 V N 3.471 123.395 119.914 0.017 0.000 2.385 84 V HA 0.182 4.291 4.120 -0.019 0.000 0.269 84 V C 1.068 177.179 176.094 0.028 0.000 1.043 84 V CA -0.657 61.659 62.300 0.026 0.000 0.906 84 V CB 0.449 32.287 31.823 0.025 0.000 0.995 84 V HN 0.804 nan 8.190 nan 0.000 0.467 85 I N 3.426 124.017 120.570 0.035 0.000 2.233 85 I HA 0.008 4.167 4.170 -0.019 0.000 0.243 85 I C 1.083 177.219 176.117 0.033 0.000 1.093 85 I CA 1.216 62.535 61.300 0.032 0.000 1.380 85 I CB -0.485 37.537 38.000 0.035 0.000 1.067 85 I HN 0.777 nan 8.210 nan 0.000 0.413 86 S N -0.317 115.409 115.700 0.044 0.000 2.537 86 S HA 0.824 5.283 4.470 -0.019 0.000 0.270 86 S C -0.872 173.762 174.600 0.056 0.000 1.142 86 S CA -0.572 57.655 58.200 0.045 0.000 0.870 86 S CB 2.678 65.906 63.200 0.047 0.000 1.112 86 S HN 0.318 nan 8.310 nan 0.000 0.466 87 A N 1.330 124.179 122.820 0.048 0.000 2.442 87 A HA 0.737 5.046 4.320 -0.019 0.000 0.284 87 A C -0.556 177.051 177.584 0.039 0.000 1.058 87 A CA -0.477 51.591 52.037 0.053 0.000 0.738 87 A CB 0.975 20.000 19.000 0.041 0.000 1.242 87 A HN 2.101 nan 8.150 nan 0.000 0.421 88 V N 0.072 120.013 119.914 0.044 0.000 2.680 88 V HA 0.728 4.836 4.120 -0.019 0.000 0.309 88 V C -0.180 175.911 176.094 -0.004 0.000 1.052 88 V CA -0.749 61.562 62.300 0.019 0.000 0.908 88 V CB 1.603 33.440 31.823 0.022 0.000 1.001 88 V HN 0.931 nan 8.190 nan 0.000 0.431 89 E N 3.232 123.417 120.200 -0.024 0.000 2.338 89 E HA 0.484 4.823 4.350 -0.019 0.000 0.272 89 E C -1.128 175.418 176.600 -0.090 0.000 1.029 89 E CA -0.551 55.820 56.400 -0.049 0.000 0.872 89 E CB 1.146 30.820 29.700 -0.042 0.000 1.015 89 E HN 0.770 nan 8.360 nan 0.000 0.417 90 L N 3.618 124.755 121.223 -0.143 0.000 2.309 90 L HA 0.260 4.589 4.340 -0.019 0.000 0.282 90 L C -0.051 176.696 176.870 -0.205 0.000 1.036 90 L CA -0.690 54.007 54.840 -0.237 0.000 0.806 90 L CB 1.335 43.136 42.059 -0.429 0.000 1.220 90 L HN 0.521 nan 8.230 nan 0.000 0.429 91 D N 1.265 121.548 120.400 -0.196 0.000 2.518 91 D HA 0.058 4.687 4.640 -0.019 0.000 0.230 91 D C 1.331 177.523 176.300 -0.180 0.000 1.138 91 D CA -0.272 53.641 54.000 -0.145 0.000 0.964 91 D CB 1.033 41.773 40.800 -0.101 0.000 1.011 91 D HN 0.675 nan 8.370 nan 0.000 0.517 92 T N 0.319 114.754 114.554 -0.198 0.000 2.803 92 T HA -0.197 4.142 4.350 -0.019 0.000 0.269 92 T C 1.893 176.522 174.700 -0.119 0.000 1.052 92 T CA 1.110 63.085 62.100 -0.209 0.000 1.136 92 T CB -0.175 68.585 68.868 -0.180 0.000 0.864 92 T HN 0.231 nan 8.240 nan 0.000 0.467 93 A N 1.248 124.020 122.820 -0.080 0.000 2.070 93 A HA 0.378 4.687 4.320 -0.019 0.000 0.220 93 A C 2.601 180.171 177.584 -0.024 0.000 1.159 93 A CA 1.763 53.774 52.037 -0.043 0.000 0.656 93 A CB -1.013 17.965 19.000 -0.036 0.000 0.800 93 A HN 0.811 nan 8.150 nan 0.000 0.453 94 A N -1.057 121.741 122.820 -0.037 0.000 1.944 94 A HA 0.151 4.460 4.320 -0.019 0.000 0.209 94 A C 2.196 179.807 177.584 0.045 0.000 1.328 94 A CA 1.629 53.664 52.037 -0.003 0.000 0.693 94 A CB -0.788 18.197 19.000 -0.026 0.000 0.994 94 A HN 0.665 nan 8.150 nan 0.000 0.485 95 T N -3.044 111.458 114.554 -0.086 0.000 3.129 95 T HA 0.463 4.802 4.350 -0.019 0.000 0.251 95 T C 0.857 175.256 174.700 -0.502 0.000 1.117 95 T CA 0.887 62.849 62.100 -0.229 0.000 1.034 95 T CB -0.200 68.529 68.868 -0.232 0.000 0.968 95 T HN 1.928 nan 8.240 nan 0.000 0.526 96 G N 0.732 109.378 108.800 -0.258 0.000 2.576 96 G HA2 0.094 4.042 3.960 -0.019 0.000 0.686 96 G HA3 0.094 4.042 3.960 -0.019 0.000 0.686 96 G C -1.171 173.579 174.900 -0.249 0.000 1.242 96 G CA -1.071 43.913 45.100 -0.193 0.000 0.819 96 G HN 0.217 nan 8.290 nan 0.000 0.655 97 E N 0.118 120.242 120.200 -0.127 0.000 2.345 97 E HA 0.517 4.856 4.350 -0.019 0.000 0.259 97 E C 1.142 177.688 176.600 -0.089 0.000 1.117 97 E CA -0.517 55.804 56.400 -0.132 0.000 0.913 97 E CB 1.022 30.676 29.700 -0.077 0.000 1.057 97 E HN 0.505 nan 8.360 nan 0.000 0.432 98 L N 1.801 122.977 121.223 -0.079 0.000 2.466 98 L HA 0.208 4.537 4.340 -0.019 0.000 0.257 98 L C -1.925 174.965 176.870 0.033 0.000 1.189 98 L CA -1.770 53.095 54.840 0.041 0.000 0.813 98 L CB -0.234 41.865 42.059 0.068 0.000 1.118 98 L HN 0.151 nan 8.230 nan 0.000 0.471 99 P HA -0.032 nan 4.420 nan 0.000 0.267 99 P C -0.677 176.607 177.300 -0.026 0.000 1.201 99 P CA -0.234 62.892 63.100 0.044 0.000 0.775 99 P CB 0.369 32.142 31.700 0.121 0.000 0.854 100 V N 3.434 123.308 119.914 -0.066 0.000 2.673 100 V HA -0.059 4.050 4.120 -0.019 0.000 0.303 100 V C 0.648 176.678 176.094 -0.106 0.000 1.046 100 V CA 0.265 62.517 62.300 -0.080 0.000 1.126 100 V CB -0.279 31.528 31.823 -0.027 0.000 0.934 100 V HN 0.285 nan 8.190 nan 0.000 0.487 101 L N 3.664 124.758 121.223 -0.216 0.000 2.326 101 L HA 0.272 4.600 4.340 -0.019 0.000 0.278 101 L C 1.521 178.060 176.870 -0.552 0.000 1.092 101 L CA 0.467 55.142 54.840 -0.275 0.000 0.810 101 L CB 0.497 42.413 42.059 -0.238 0.000 1.153 101 L HN 0.787 nan 8.230 nan 0.000 0.439 102 E N 1.855 121.741 120.200 -0.523 0.000 2.160 102 E HA -0.255 4.084 4.350 -0.019 0.000 0.195 102 E C 1.309 177.605 176.600 -0.506 0.000 0.991 102 E CA 1.576 57.525 56.400 -0.752 0.000 0.810 102 E CB 0.313 29.937 29.700 -0.127 0.000 0.742 102 E HN 0.807 nan 8.360 nan 0.000 0.466 103 E N -0.081 119.960 120.200 -0.266 0.000 2.347 103 E HA -0.163 4.176 4.350 -0.019 0.000 0.196 103 E C 1.432 177.992 176.600 -0.067 0.000 1.008 103 E CA 0.800 57.137 56.400 -0.104 0.000 0.852 103 E CB -0.021 29.640 29.700 -0.065 0.000 0.783 103 E HN 0.365 nan 8.360 nan 0.000 0.505 104 E N -0.001 120.115 120.200 -0.140 0.000 2.299 104 E HA -0.037 4.302 4.350 -0.019 0.000 0.193 104 E C 1.261 177.947 176.600 0.143 0.000 0.998 104 E CA 0.152 56.542 56.400 -0.018 0.000 0.851 104 E CB -0.056 29.614 29.700 -0.050 0.000 0.795 104 E HN 0.212 nan 8.360 nan 0.000 0.492 105 F N 2.318 122.317 119.950 0.081 0.000 2.065 105 F HA -0.246 4.270 4.527 -0.019 0.000 0.298 105 F C 2.457 178.296 175.800 0.065 0.000 1.112 105 F CA 1.680 59.736 58.000 0.094 0.000 1.212 105 F CB -1.211 37.860 39.000 0.119 0.000 0.975 105 F HN 0.152 nan 8.300 nan 0.000 0.476 106 E N 0.173 120.535 120.200 0.269 0.000 2.204 106 E HA -0.123 4.216 4.350 -0.019 0.000 0.194 106 E C 2.075 178.731 176.600 0.092 0.000 0.989 106 E CA 1.370 57.862 56.400 0.153 0.000 0.824 106 E CB -0.815 28.962 29.700 0.127 0.000 0.756 106 E HN 0.229 nan 8.360 nan 0.000 0.477 107 V N 1.684 121.649 119.914 0.086 0.000 2.324 107 V HA -0.303 3.806 4.120 -0.019 0.000 0.250 107 V C 2.517 178.616 176.094 0.007 0.000 1.060 107 V CA 1.733 64.059 62.300 0.043 0.000 1.042 107 V CB -0.438 31.410 31.823 0.042 0.000 0.650 107 V HN 0.229 nan 8.190 nan 0.000 0.450 108 V N -0.149 119.774 119.914 0.014 0.000 2.233 108 V HA -0.358 3.751 4.120 -0.019 0.000 0.247 108 V C 2.443 178.459 176.094 -0.130 0.000 1.050 108 V CA 2.581 64.847 62.300 -0.056 0.000 1.010 108 V CB -0.675 31.135 31.823 -0.022 0.000 0.637 108 V HN 0.668 nan 8.190 nan 0.000 0.444 109 E N -0.403 119.754 120.200 -0.072 0.000 2.077 109 E HA -0.273 4.066 4.350 -0.019 0.000 0.193 109 E C 2.301 178.855 176.600 -0.076 0.000 0.989 109 E CA 1.528 57.878 56.400 -0.084 0.000 0.800 109 E CB -0.081 29.620 29.700 0.003 0.000 0.746 109 E HN 0.712 nan 8.360 nan 0.000 0.452 110 Q N 0.198 119.978 119.800 -0.034 0.000 2.050 110 Q HA -0.173 4.156 4.340 -0.019 0.000 0.202 110 Q C 2.486 178.460 176.000 -0.043 0.000 0.980 110 Q CA 1.456 57.249 55.803 -0.017 0.000 0.840 110 Q CB -0.147 28.595 28.738 0.007 0.000 0.898 110 Q HN 0.365 nan 8.270 nan 0.000 0.424 111 L N 0.368 121.549 121.223 -0.070 0.000 2.046 111 L HA -0.188 4.141 4.340 -0.019 0.000 0.208 111 L C 2.341 179.131 176.870 -0.133 0.000 1.077 111 L CA 0.882 55.672 54.840 -0.082 0.000 0.747 111 L CB -0.361 41.648 42.059 -0.083 0.000 0.896 111 L HN 0.263 nan 8.230 nan 0.000 0.432 112 L N -0.434 120.628 121.223 -0.269 0.000 2.141 112 L HA -0.152 4.177 4.340 -0.019 0.000 0.209 112 L C 2.798 179.557 176.870 -0.186 0.000 1.094 112 L CA 0.848 55.402 54.840 -0.476 0.000 0.763 112 L CB -0.671 40.648 42.059 -1.232 0.000 0.908 112 L HN 0.231 nan 8.230 nan 0.000 0.437 113 A N -0.129 122.655 122.820 -0.061 0.000 2.076 113 A HA -0.187 4.122 4.320 -0.019 0.000 0.220 113 A C 2.099 179.741 177.584 0.096 0.000 1.160 113 A CA 2.104 54.197 52.037 0.094 0.000 0.653 113 A CB -0.694 18.343 19.000 0.062 0.000 0.801 113 A HN 0.520 nan 8.150 nan 0.000 0.455 114 T N -3.567 111.017 114.554 0.049 0.000 3.085 114 T HA 0.177 4.515 4.350 -0.019 0.000 0.264 114 T C 0.062 174.794 174.700 0.052 0.000 1.019 114 T CA 0.008 62.137 62.100 0.049 0.000 0.910 114 T CB -0.059 68.825 68.868 0.026 0.000 1.059 114 T HN 0.334 nan 8.240 nan 0.000 0.542 115 D N 1.585 122.028 120.400 0.072 0.000 2.280 115 D HA 0.139 4.768 4.640 -0.019 0.000 0.243 115 D C 0.690 177.062 176.300 0.120 0.000 1.129 115 D CA -0.116 53.930 54.000 0.078 0.000 0.848 115 D CB 1.384 42.219 40.800 0.058 0.000 1.107 115 D HN 0.295 nan 8.370 nan 0.000 0.471 116 E N 2.820 123.064 120.200 0.075 0.000 2.097 116 E HA -0.234 4.105 4.350 -0.019 0.000 0.196 116 E C 1.846 178.488 176.600 0.069 0.000 1.000 116 E CA 1.242 57.679 56.400 0.061 0.000 0.804 116 E CB 0.271 29.992 29.700 0.035 0.000 0.740 116 E HN 0.476 nan 8.360 nan 0.000 0.454 117 R N 0.013 120.560 120.500 0.080 0.000 2.081 117 R HA -0.128 4.201 4.340 -0.019 0.000 0.235 117 R C 2.237 178.607 176.300 0.117 0.000 1.131 117 R CA 1.418 57.563 56.100 0.074 0.000 0.960 117 R CB -0.363 29.976 30.300 0.066 0.000 0.856 117 R HN 0.418 nan 8.270 nan 0.000 0.436 118 W N 1.512 122.790 121.300 -0.037 0.000 2.379 118 W HA -0.144 4.505 4.660 -0.019 0.000 0.307 118 W C 1.479 177.983 176.519 -0.026 0.000 1.200 118 W CA 1.242 58.565 57.345 -0.035 0.000 1.297 118 W CB -0.139 29.302 29.460 -0.031 0.000 1.140 118 W HN 0.086 nan 8.180 nan 0.000 0.507 119 L N 0.788 122.088 121.223 0.128 0.000 2.046 119 L HA -0.260 4.069 4.340 -0.019 0.000 0.208 119 L C 2.615 179.447 176.870 -0.063 0.000 1.077 119 L CA 1.767 56.617 54.840 0.017 0.000 0.747 119 L CB -0.953 41.145 42.059 0.065 0.000 0.896 119 L HN -0.085 nan 8.230 nan 0.000 0.432 120 K N 0.325 120.700 120.400 -0.040 0.000 2.097 120 K HA -0.156 4.153 4.320 -0.019 0.000 0.205 120 K C 2.135 178.671 176.600 -0.106 0.000 1.050 120 K CA 1.184 57.438 56.287 -0.056 0.000 0.938 120 K CB -0.029 32.453 32.500 -0.030 0.000 0.718 120 K HN 0.265 nan 8.250 nan 0.000 0.442 121 A N 1.154 123.878 122.820 -0.161 0.000 1.930 121 A HA -0.086 4.223 4.320 -0.019 0.000 0.217 121 A C 2.046 179.463 177.584 -0.279 0.000 1.175 121 A CA 1.092 52.994 52.037 -0.225 0.000 0.627 121 A CB -0.472 18.343 19.000 -0.308 0.000 0.815 121 A HN 0.293 nan 8.150 nan 0.000 0.443 122 L N -0.967 120.044 121.223 -0.353 0.000 2.109 122 L HA -0.129 4.200 4.340 -0.019 0.000 0.207 122 L C 3.069 179.837 176.870 -0.170 0.000 1.086 122 L CA 0.953 55.610 54.840 -0.305 0.000 0.760 122 L CB -0.602 41.262 42.059 -0.326 0.000 0.910 122 L HN 0.432 nan 8.230 nan 0.000 0.437 123 A N 0.294 123.037 122.820 -0.129 0.000 1.933 123 A HA -0.130 4.179 4.320 -0.019 0.000 0.218 123 A C 2.489 180.027 177.584 -0.077 0.000 1.175 123 A CA 1.562 53.549 52.037 -0.082 0.000 0.628 123 A CB -0.578 18.386 19.000 -0.059 0.000 0.814 123 A HN 0.386 nan 8.150 nan 0.000 0.444 124 A N -0.541 122.226 122.820 -0.088 0.000 2.125 124 A HA -0.082 4.227 4.320 -0.019 0.000 0.219 124 A C 2.038 179.578 177.584 -0.072 0.000 1.156 124 A CA 1.327 53.320 52.037 -0.074 0.000 0.671 124 A CB -0.289 18.665 19.000 -0.076 0.000 0.794 124 A HN 0.544 nan 8.150 nan 0.000 0.459 125 R N -0.848 119.598 120.500 -0.089 0.000 2.432 125 R HA 0.122 4.451 4.340 -0.019 0.000 0.260 125 R C -0.318 175.941 176.300 -0.068 0.000 0.935 125 R CA 0.060 56.113 56.100 -0.078 0.000 1.080 125 R CB 0.241 30.481 30.300 -0.099 0.000 1.155 125 R HN 0.426 nan 8.270 nan 0.000 0.531 126 N N 0.998 119.659 118.700 -0.065 0.000 2.735 126 N HA -0.185 4.544 4.740 -0.019 0.000 0.248 126 N C -0.973 174.504 175.510 -0.055 0.000 1.083 126 N CA 0.983 54.002 53.050 -0.052 0.000 0.703 126 N CB -1.360 37.103 38.487 -0.040 0.000 1.005 126 N HN 0.287 nan 8.380 nan 0.000 0.550 127 L N 0.155 121.334 121.223 -0.073 0.000 2.317 127 L HA 0.338 4.667 4.340 -0.019 0.000 0.281 127 L C 0.680 177.516 176.870 -0.055 0.000 1.024 127 L CA -0.834 53.964 54.840 -0.071 0.000 0.810 127 L CB 1.445 43.444 42.059 -0.100 0.000 1.240 127 L HN -0.081 nan 8.230 nan 0.000 0.427 128 D N 2.092 122.471 120.400 -0.033 0.000 2.339 128 D HA 0.004 4.633 4.640 -0.019 0.000 0.256 128 D C 0.808 177.109 176.300 0.002 0.000 1.214 128 D CA 0.063 54.055 54.000 -0.013 0.000 0.877 128 D CB 1.942 42.740 40.800 -0.004 0.000 1.111 128 D HN 0.310 nan 8.370 nan 0.000 0.478 129 V N 4.146 124.070 119.914 0.018 0.000 2.453 129 V HA -0.271 3.838 4.120 -0.019 0.000 0.252 129 V C 2.126 178.263 176.094 0.072 0.000 1.068 129 V CA 2.956 65.295 62.300 0.064 0.000 1.070 129 V CB -0.492 31.388 31.823 0.096 0.000 0.664 129 V HN 0.736 nan 8.190 nan 0.000 0.461 130 S N -0.884 114.844 115.700 0.048 0.000 2.469 130 S HA -0.151 4.308 4.470 -0.019 0.000 0.238 130 S C 1.713 176.334 174.600 0.036 0.000 0.998 130 S CA 1.334 59.560 58.200 0.043 0.000 0.957 130 S CB -0.409 62.810 63.200 0.033 0.000 0.764 130 S HN 0.757 nan 8.310 nan 0.000 0.514 131 K N 0.695 121.112 120.400 0.027 0.000 2.373 131 K HA 0.304 4.613 4.320 -0.019 0.000 0.202 131 K C -0.787 175.823 176.600 0.016 0.000 1.025 131 K CA -0.075 56.220 56.287 0.013 0.000 1.115 131 K CB 1.015 33.516 32.500 0.000 0.000 0.858 131 K HN 0.209 nan 8.250 nan 0.000 0.525 132 V N 3.384 123.327 119.914 0.048 0.000 2.334 132 V HA 0.205 4.313 4.120 -0.019 0.000 0.267 132 V C 0.185 176.343 176.094 0.108 0.000 1.040 132 V CA -0.769 61.577 62.300 0.078 0.000 0.866 132 V CB 0.683 32.573 31.823 0.112 0.000 1.019 132 V HN 0.155 nan 8.190 nan 0.000 0.468 133 R N 3.265 123.808 120.500 0.072 0.000 2.490 133 R HA 0.584 4.912 4.340 -0.019 0.000 0.278 133 R C -0.721 175.659 176.300 0.134 0.000 1.069 133 R CA -0.421 55.711 56.100 0.052 0.000 1.080 133 R CB 1.733 31.996 30.300 -0.062 0.000 1.030 133 R HN 0.447 nan 8.270 nan 0.000 0.491 134 V N 1.909 121.895 119.914 0.118 0.000 2.444 134 V HA 0.396 4.505 4.120 -0.019 0.000 0.294 134 V C 0.012 176.195 176.094 0.148 0.000 1.022 134 V CA -1.187 61.211 62.300 0.163 0.000 0.850 134 V CB 1.729 33.593 31.823 0.068 0.000 0.992 134 V HN 0.846 nan 8.190 nan 0.000 0.426 135 A N 7.621 130.598 122.820 0.262 0.000 2.347 135 A HA 0.617 4.926 4.320 -0.019 0.000 0.287 135 A C -2.163 175.549 177.584 0.214 0.000 1.199 135 A CA -1.313 50.879 52.037 0.258 0.000 0.851 135 A CB 0.110 19.408 19.000 0.496 0.000 1.118 135 A HN 0.598 nan 8.150 nan 0.000 0.525 136 P HA 0.310 nan 4.420 nan 0.000 0.274 136 P C -0.892 176.516 177.300 0.180 0.000 1.470 136 P CA 0.191 63.367 63.100 0.128 0.000 1.001 136 P CB 0.328 32.106 31.700 0.131 0.000 1.332 137 L N 2.387 123.760 121.223 0.249 0.000 2.334 137 L HA 0.394 4.723 4.340 -0.019 0.000 0.275 137 L C 1.163 178.236 176.870 0.339 0.000 1.036 137 L CA -0.873 54.184 54.840 0.361 0.000 0.807 137 L CB 1.243 43.596 42.059 0.489 0.000 1.231 137 L HN 0.273 nan 8.230 nan 0.000 0.438 138 S N 0.687 116.647 115.700 0.433 0.000 2.568 138 S HA 0.202 4.661 4.470 -0.019 0.000 0.282 138 S C 0.873 175.644 174.600 0.286 0.000 1.338 138 S CA -0.119 58.252 58.200 0.284 0.000 1.045 138 S CB 1.343 64.733 63.200 0.317 0.000 0.873 138 S HN 0.739 nan 8.310 nan 0.000 0.516 139 A N 3.187 126.091 122.820 0.141 0.000 1.935 139 A HA 0.544 4.853 4.320 -0.019 0.000 0.214 139 A C 1.578 179.324 177.584 0.271 0.000 1.178 139 A CA 0.723 52.806 52.037 0.076 0.000 0.640 139 A CB -1.538 17.425 19.000 -0.063 0.000 0.825 139 A HN 2.312 nan 8.150 nan 0.000 0.447 140 G N -1.837 107.091 108.800 0.214 0.000 2.645 140 G HA2 -0.059 3.890 3.960 -0.019 0.000 0.239 140 G HA3 -0.059 3.890 3.960 -0.019 0.000 0.239 140 G C -0.387 174.476 174.900 -0.061 0.000 1.331 140 G CA -0.215 44.966 45.100 0.135 0.000 0.890 140 G HN 1.125 nan 8.290 nan 0.000 0.572 141 V N 0.947 120.604 119.914 -0.427 0.000 2.443 141 V HA 0.765 4.874 4.120 -0.019 0.000 0.293 141 V C -0.170 175.426 176.094 -0.830 0.000 1.021 141 V CA -0.311 61.741 62.300 -0.413 0.000 0.848 141 V CB 1.137 32.776 31.823 -0.307 0.000 0.998 141 V HN 0.708 nan 8.190 nan 0.000 0.424 142 F N 1.679 121.624 119.950 -0.007 0.000 3.345 142 F HA 0.436 4.952 4.527 -0.019 0.000 0.253 142 F C 1.488 177.177 175.800 -0.185 0.000 1.576 142 F CA -0.567 57.385 58.000 -0.080 0.000 0.970 142 F CB 0.390 39.350 39.000 -0.066 0.000 1.808 142 F HN 0.447 nan 8.300 nan 0.000 0.354 143 E N 0.560 120.651 120.200 -0.182 0.000 2.463 143 E HA -0.001 4.338 4.350 -0.019 0.000 0.193 143 E C -1.074 175.353 176.600 -0.288 0.000 1.041 143 E CA 0.184 56.429 56.400 -0.258 0.000 0.879 143 E CB -0.609 28.945 29.700 -0.244 0.000 0.997 143 E HN 0.495 nan 8.360 nan 0.000 0.478 144 Y N 1.187 121.542 120.300 0.092 0.000 2.600 144 Y HA 0.405 4.944 4.550 -0.019 0.000 0.351 144 Y C 1.602 177.524 175.900 0.037 0.000 1.042 144 Y CA -0.071 58.069 58.100 0.066 0.000 1.333 144 Y CB 0.852 39.347 38.460 0.058 0.000 1.172 144 Y HN 0.076 nan 8.280 nan 0.000 0.517 145 A N 2.805 125.709 122.820 0.139 0.000 1.940 145 A HA -0.221 4.088 4.320 -0.019 0.000 0.219 145 A C 2.186 179.818 177.584 0.080 0.000 1.176 145 A CA 1.817 53.903 52.037 0.081 0.000 0.631 145 A CB -0.318 18.717 19.000 0.058 0.000 0.814 145 A HN 0.770 nan 8.150 nan 0.000 0.446 146 E N 0.730 120.991 120.200 0.102 0.000 2.333 146 E HA -0.212 4.127 4.350 -0.019 0.000 0.198 146 E C 1.167 177.800 176.600 0.056 0.000 1.007 146 E CA 1.431 57.873 56.400 0.070 0.000 0.845 146 E CB -0.502 29.239 29.700 0.069 0.000 0.766 146 E HN 0.778 nan 8.360 nan 0.000 0.507 147 E N 0.759 121.004 120.200 0.075 0.000 2.427 147 E HA 0.025 4.364 4.350 -0.019 0.000 0.196 147 E C 0.200 176.813 176.600 0.021 0.000 1.028 147 E CA -0.175 56.250 56.400 0.043 0.000 0.864 147 E CB 0.003 29.737 29.700 0.057 0.000 0.813 147 E HN 0.188 nan 8.360 nan 0.000 0.514 148 R N 0.564 121.077 120.500 0.023 0.000 2.483 148 R HA 0.068 4.397 4.340 -0.019 0.000 0.329 148 R C 0.870 177.167 176.300 -0.005 0.000 0.961 148 R CA 0.729 56.832 56.100 0.004 0.000 1.041 148 R CB 0.005 30.307 30.300 0.003 0.000 0.930 148 R HN 0.284 nan 8.270 nan 0.000 0.413 149 G N 2.730 111.521 108.800 -0.015 0.000 2.176 149 G HA2 -0.311 3.638 3.960 -0.019 0.000 0.253 149 G HA3 -0.311 3.638 3.960 -0.019 0.000 0.253 149 G C 0.071 174.961 174.900 -0.017 0.000 0.979 149 G CA -0.242 44.844 45.100 -0.023 0.000 0.641 149 G HN 0.532 nan 8.290 nan 0.000 0.530 150 R N -0.161 120.332 120.500 -0.010 0.000 2.532 150 R HA 0.619 4.948 4.340 -0.019 0.000 0.295 150 R C 0.090 176.383 176.300 -0.012 0.000 0.968 150 R CA -0.909 55.188 56.100 -0.006 0.000 0.916 150 R CB 1.182 31.481 30.300 -0.001 0.000 1.124 150 R HN 0.127 nan 8.270 nan 0.000 0.463 151 R N 2.592 123.089 120.500 -0.005 0.000 2.220 151 R HA 0.275 4.604 4.340 -0.019 0.000 0.340 151 R C -0.240 176.048 176.300 -0.020 0.000 1.076 151 R CA -0.121 55.968 56.100 -0.018 0.000 0.920 151 R CB 0.377 30.667 30.300 -0.017 0.000 1.062 151 R HN 0.308 nan 8.270 nan 0.000 0.469 152 I N 4.495 125.046 120.570 -0.031 0.000 2.562 152 I HA 0.440 4.599 4.170 -0.019 0.000 0.301 152 I C 0.049 176.139 176.117 -0.044 0.000 1.003 152 I CA -0.802 60.470 61.300 -0.047 0.000 1.127 152 I CB 1.713 39.663 38.000 -0.084 0.000 1.304 152 I HN 0.480 nan 8.210 nan 0.000 0.446 153 L N 4.927 126.123 121.223 -0.044 0.000 2.422 153 L HA 0.522 4.851 4.340 -0.019 0.000 0.264 153 L C -0.386 176.438 176.870 -0.075 0.000 0.984 153 L CA -0.781 54.048 54.840 -0.018 0.000 0.819 153 L CB 2.710 44.800 42.059 0.052 0.000 1.330 153 L HN 0.513 nan 8.230 nan 0.000 0.410 154 R N 0.949 121.371 120.500 -0.130 0.000 2.460 154 R HA 0.659 4.988 4.340 -0.019 0.000 0.303 154 R C -0.176 176.110 176.300 -0.022 0.000 0.968 154 R CA -0.700 55.273 56.100 -0.213 0.000 0.889 154 R CB 2.002 31.797 30.300 -0.841 0.000 1.123 154 R HN 0.739 nan 8.270 nan 0.000 0.455 155 G N 2.831 111.642 108.800 0.019 0.000 2.415 155 G HA2 0.575 4.524 3.960 -0.019 0.000 0.327 155 G HA3 0.575 4.524 3.960 -0.019 0.000 0.327 155 G C -0.792 174.252 174.900 0.241 0.000 1.182 155 G CA -0.612 44.547 45.100 0.098 0.000 0.924 155 G HN 0.296 nan 8.290 nan 0.000 0.470 156 L N 1.455 122.887 121.223 0.348 0.000 2.346 156 L HA 0.697 5.025 4.340 -0.019 0.000 0.276 156 L C 0.511 177.507 176.870 0.210 0.000 1.006 156 L CA -1.006 54.030 54.840 0.327 0.000 0.817 156 L CB 2.154 44.486 42.059 0.454 0.000 1.272 156 L HN 0.625 nan 8.230 nan 0.000 0.421 157 A N 2.941 125.779 122.820 0.031 0.000 2.303 157 A HA 0.846 5.155 4.320 -0.019 0.000 0.317 157 A C -1.177 176.084 177.584 -0.538 0.000 1.149 157 A CA -0.164 51.855 52.037 -0.030 0.000 0.822 157 A CB 0.508 19.567 19.000 0.098 0.000 1.131 157 A HN 0.507 nan 8.150 nan 0.000 0.493 158 F N 0.601 120.524 119.950 -0.046 0.000 2.581 158 F HA 0.439 4.955 4.527 -0.019 0.000 0.311 158 F C -0.169 175.576 175.800 -0.090 0.000 1.113 158 F CA -0.671 57.255 58.000 -0.124 0.000 0.935 158 F CB 2.306 41.109 39.000 -0.328 0.000 1.232 158 F HN 0.317 nan 8.300 nan 0.000 0.445 159 V N 2.612 122.600 119.914 0.123 0.000 2.465 159 V HA 0.330 4.439 4.120 -0.019 0.000 0.279 159 V C -0.375 175.756 176.094 0.062 0.000 1.045 159 V CA -0.542 61.791 62.300 0.054 0.000 0.938 159 V CB 1.424 33.240 31.823 -0.012 0.000 0.986 159 V HN 0.760 nan 8.190 nan 0.000 0.467 160 Q N 2.927 122.714 119.800 -0.022 0.000 2.381 160 Q HA 0.247 4.576 4.340 -0.019 0.000 0.263 160 Q C 0.048 175.983 176.000 -0.108 0.000 1.030 160 Q CA -0.628 55.120 55.803 -0.091 0.000 0.772 160 Q CB 1.276 29.935 28.738 -0.132 0.000 1.232 160 Q HN 0.768 nan 8.270 nan 0.000 0.476 161 D N 3.559 123.870 120.400 -0.150 0.000 2.178 161 D HA -0.022 4.607 4.640 -0.019 0.000 0.202 161 D C 0.098 176.499 176.300 0.168 0.000 0.974 161 D CA 1.262 55.261 54.000 -0.001 0.000 0.841 161 D CB 0.123 41.001 40.800 0.130 0.000 0.953 161 D HN 0.433 nan 8.370 nan 0.000 0.478 162 F N -4.193 115.750 119.950 -0.012 0.000 2.686 162 F HA 0.393 4.909 4.527 -0.019 0.000 0.311 162 F C -2.394 173.396 175.800 -0.018 0.000 1.128 162 F CA -2.322 55.668 58.000 -0.018 0.000 0.946 162 F CB 0.437 39.421 39.000 -0.027 0.000 1.336 162 F HN -0.416 nan 8.300 nan 0.000 0.457 163 P HA -0.195 nan 4.420 nan 0.000 0.218 163 P C 0.353 177.652 177.300 -0.003 0.000 1.154 163 P CA 2.383 65.518 63.100 0.058 0.000 0.872 163 P CB 0.139 31.895 31.700 0.094 0.000 0.790 164 E N -1.480 118.761 120.200 0.069 0.000 2.451 164 E HA 0.057 4.396 4.350 -0.019 0.000 0.194 164 E C -0.034 176.426 176.600 -0.233 0.000 1.027 164 E CA -0.254 56.142 56.400 -0.007 0.000 0.914 164 E CB -0.173 29.595 29.700 0.114 0.000 1.054 164 E HN 0.298 nan 8.360 nan 0.000 0.461 165 D N 0.734 120.732 120.400 -0.671 0.000 2.302 165 D HA 0.002 4.631 4.640 -0.019 0.000 0.248 165 D C -0.488 175.568 176.300 -0.407 0.000 1.094 165 D CA -0.036 53.426 54.000 -0.897 0.000 0.897 165 D CB 1.188 41.096 40.800 -1.486 0.000 1.200 165 D HN -0.172 nan 8.370 nan 0.000 0.429 166 S N 2.568 118.102 115.700 -0.277 0.000 2.416 166 S HA 0.380 4.839 4.470 -0.019 0.000 0.302 166 S C 1.136 175.638 174.600 -0.163 0.000 1.120 166 S CA -0.212 57.899 58.200 -0.148 0.000 1.067 166 S CB 0.110 63.273 63.200 -0.062 0.000 1.057 166 S HN 0.517 nan 8.310 nan 0.000 0.518 167 A N 5.013 127.633 122.820 -0.332 0.000 2.019 167 A HA -0.052 4.257 4.320 -0.019 0.000 0.219 167 A C 1.438 178.840 177.584 -0.304 0.000 1.164 167 A CA 1.005 52.852 52.037 -0.316 0.000 0.644 167 A CB -0.749 17.975 19.000 -0.460 0.000 0.805 167 A HN 0.997 nan 8.150 nan 0.000 0.449 168 W N -0.219 121.001 121.300 -0.133 0.000 2.387 168 W HA -0.004 4.645 4.660 -0.018 0.000 0.272 168 W C 2.365 178.971 176.519 0.145 0.000 1.224 168 W CA 0.757 58.011 57.345 -0.152 0.000 1.210 168 W CB -0.143 29.238 29.460 -0.131 0.000 1.125 168 W HN 0.373 nan 8.180 nan 0.000 0.572 169 A N -0.735 122.235 122.820 0.251 0.000 2.167 169 A HA -0.046 4.263 4.320 -0.019 0.000 0.214 169 A C 0.569 177.996 177.584 -0.263 0.000 1.151 169 A CA 0.756 52.850 52.037 0.094 0.000 0.735 169 A CB -0.555 18.422 19.000 -0.039 0.000 0.802 169 A HN 0.314 nan 8.150 nan 0.000 0.467 170 H N -0.003 119.193 119.070 0.211 0.000 2.355 170 H HA 0.252 4.797 4.556 -0.019 0.000 0.232 170 H C -2.905 172.473 175.328 0.084 0.000 1.422 170 H CA -2.360 53.758 56.048 0.117 0.000 1.261 170 H CB -0.252 29.552 29.762 0.070 0.000 1.595 170 H HN 0.355 nan 8.280 nan 0.000 0.529 171 P HA 0.017 nan 4.420 nan 0.000 0.271 171 P C 0.301 177.452 177.300 -0.248 0.000 1.216 171 P CA -0.298 62.652 63.100 -0.251 0.000 0.776 171 P CB 2.008 33.600 31.700 -0.180 0.000 0.881 172 V N 3.606 123.288 119.914 -0.386 0.000 2.240 172 V HA 0.135 4.244 4.120 -0.019 0.000 0.265 172 V C 0.709 176.647 176.094 -0.260 0.000 1.073 172 V CA -0.298 61.856 62.300 -0.243 0.000 0.857 172 V CB 0.133 31.818 31.823 -0.231 0.000 1.114 172 V HN 0.541 nan 8.190 nan 0.000 0.469 173 D N 2.962 123.203 120.400 -0.265 0.000 2.360 173 D HA 0.366 4.995 4.640 -0.019 0.000 0.242 173 D C 1.312 177.427 176.300 -0.309 0.000 1.184 173 D CA 1.480 55.213 54.000 -0.445 0.000 0.930 173 D CB 1.703 41.970 40.800 -0.888 0.000 1.161 173 D HN 0.735 nan 8.370 nan 0.000 0.447 174 G N 0.426 109.017 108.800 -0.348 0.000 2.162 174 G HA2 -0.220 3.728 3.960 -0.019 0.000 0.260 174 G HA3 -0.220 3.728 3.960 -0.019 0.000 0.260 174 G C -0.113 174.799 174.900 0.021 0.000 0.976 174 G CA 0.593 45.708 45.100 0.025 0.000 0.655 174 G HN 0.488 nan 8.290 nan 0.000 0.533 175 L N -0.127 121.075 121.223 -0.035 0.000 2.431 175 L HA 0.933 5.262 4.340 -0.019 0.000 0.266 175 L C -0.729 176.196 176.870 0.093 0.000 0.978 175 L CA -1.086 53.744 54.840 -0.017 0.000 0.822 175 L CB 2.414 44.382 42.059 -0.151 0.000 1.310 175 L HN 0.660 nan 8.230 nan 0.000 0.409 176 V N 3.754 123.757 119.914 0.148 0.000 3.000 176 V HA 0.961 5.070 4.120 -0.019 0.000 0.300 176 V C -1.459 174.670 176.094 0.058 0.000 1.251 176 V CA 0.318 62.739 62.300 0.201 0.000 0.972 176 V CB 2.087 34.058 31.823 0.247 0.000 1.065 176 V HN 1.231 nan 8.190 nan 0.000 0.431 177 A N 4.841 127.677 122.820 0.028 0.000 2.435 177 A HA 0.963 5.272 4.320 -0.019 0.000 0.304 177 A C -2.046 175.479 177.584 -0.099 0.000 1.064 177 A CA -0.464 51.471 52.037 -0.171 0.000 0.727 177 A CB 1.722 20.613 19.000 -0.180 0.000 1.284 177 A HN 0.850 nan 8.150 nan 0.000 0.415 178 Y N 0.269 120.431 120.300 -0.230 0.000 2.377 178 Y HA 0.633 5.172 4.550 -0.019 0.000 0.339 178 Y C -0.065 175.717 175.900 -0.196 0.000 1.011 178 Y CA -1.649 56.292 58.100 -0.265 0.000 1.093 178 Y CB 1.731 39.990 38.460 -0.336 0.000 1.201 178 Y HN 0.378 nan 8.280 nan 0.000 0.455 179 V N 2.745 122.655 119.914 -0.006 0.000 2.709 179 V HA 0.254 4.362 4.120 -0.019 0.000 0.308 179 V C -0.794 175.284 176.094 -0.026 0.000 1.062 179 V CA -1.086 61.191 62.300 -0.039 0.000 0.901 179 V CB 2.362 34.143 31.823 -0.070 0.000 1.003 179 V HN 0.671 nan 8.190 nan 0.000 0.425 180 D N 2.975 123.364 120.400 -0.020 0.000 2.380 180 D HA 0.173 4.802 4.640 -0.019 0.000 0.230 180 D C 0.990 177.288 176.300 -0.003 0.000 1.154 180 D CA -0.208 53.786 54.000 -0.009 0.000 0.859 180 D CB 1.912 42.709 40.800 -0.004 0.000 1.045 180 D HN 0.458 nan 8.370 nan 0.000 0.495 181 V N 2.290 122.206 119.914 0.003 0.000 3.305 181 V HA -0.066 4.043 4.120 -0.019 0.000 0.269 181 V C 1.524 177.638 176.094 0.033 0.000 1.157 181 V CA 0.563 62.872 62.300 0.015 0.000 1.157 181 V CB -0.262 31.570 31.823 0.016 0.000 0.772 181 V HN 0.369 nan 8.190 nan 0.000 0.498 182 V N 1.352 121.290 119.914 0.040 0.000 2.581 182 V HA -0.033 4.076 4.120 -0.019 0.000 0.240 182 V C 2.736 178.849 176.094 0.032 0.000 1.054 182 V CA 1.749 64.084 62.300 0.058 0.000 1.076 182 V CB 0.163 32.032 31.823 0.077 0.000 0.748 182 V HN 0.725 nan 8.190 nan 0.000 0.474 183 S N -1.125 114.587 115.700 0.019 0.000 2.562 183 S HA -0.012 4.446 4.470 -0.019 0.000 0.221 183 S C 0.883 175.487 174.600 0.007 0.000 0.975 183 S CA 0.195 58.401 58.200 0.010 0.000 0.918 183 S CB -0.208 62.995 63.200 0.006 0.000 0.772 183 S HN 0.396 nan 8.310 nan 0.000 0.531 184 K N 1.142 121.546 120.400 0.006 0.000 3.239 184 K HA -0.127 4.182 4.320 -0.019 0.000 0.270 184 K C -0.920 175.674 176.600 -0.009 0.000 1.049 184 K CA 0.867 57.154 56.287 -0.001 0.000 0.769 184 K CB -2.084 30.419 32.500 0.004 0.000 1.305 184 K HN 0.771 nan 8.250 nan 0.000 0.469 185 E N -0.713 119.479 120.200 -0.013 0.000 2.266 185 E HA 0.416 4.755 4.350 -0.019 0.000 0.268 185 E C -0.659 175.923 176.600 -0.030 0.000 0.879 185 E CA -1.187 55.202 56.400 -0.018 0.000 0.762 185 E CB 2.172 31.866 29.700 -0.009 0.000 1.199 185 E HN -0.049 nan 8.360 nan 0.000 0.422 186 V N 3.208 123.098 119.914 -0.040 0.000 2.353 186 V HA 0.009 4.118 4.120 -0.019 0.000 0.264 186 V C 1.382 177.450 176.094 -0.043 0.000 1.049 186 V CA 0.148 62.412 62.300 -0.059 0.000 0.896 186 V CB 0.449 32.228 31.823 -0.074 0.000 1.025 186 V HN 0.941 nan 8.190 nan 0.000 0.475 187 T N 2.917 117.451 114.554 -0.033 0.000 2.857 187 T HA 0.082 4.421 4.350 -0.019 0.000 0.266 187 T C 0.798 175.464 174.700 -0.057 0.000 1.048 187 T CA 0.625 62.712 62.100 -0.022 0.000 1.139 187 T CB 0.201 69.073 68.868 0.007 0.000 0.874 187 T HN 0.560 nan 8.240 nan 0.000 0.455 188 R N -0.486 119.938 120.500 -0.127 0.000 2.643 188 R HA 0.673 5.001 4.340 -0.019 0.000 0.269 188 R C -2.136 173.972 176.300 -0.320 0.000 1.037 188 R CA -0.800 55.151 56.100 -0.248 0.000 0.894 188 R CB 2.769 32.821 30.300 -0.413 0.000 1.238 188 R HN 0.039 nan 8.270 nan 0.000 0.459 189 V N 3.543 123.327 119.914 -0.217 0.000 2.447 189 V HA 0.400 4.508 4.120 -0.019 0.000 0.292 189 V C -0.883 175.133 176.094 -0.130 0.000 1.021 189 V CA -0.699 61.533 62.300 -0.113 0.000 0.850 189 V CB 1.661 33.512 31.823 0.046 0.000 1.005 189 V HN 0.509 nan 8.190 nan 0.000 0.426 190 I N 4.242 124.714 120.570 -0.163 0.000 2.339 190 I HA 0.512 4.671 4.170 -0.019 0.000 0.290 190 I C -0.261 175.839 176.117 -0.028 0.000 0.994 190 I CA -0.007 61.231 61.300 -0.103 0.000 1.191 190 I CB 1.581 39.503 38.000 -0.131 0.000 1.343 190 I HN 0.497 nan 8.210 nan 0.000 0.458 191 D N 3.937 124.328 120.400 -0.015 0.000 2.469 191 D HA 0.225 4.854 4.640 -0.019 0.000 0.251 191 D C 0.710 177.023 176.300 0.023 0.000 1.173 191 D CA -0.246 53.751 54.000 -0.004 0.000 0.882 191 D CB 1.409 42.191 40.800 -0.029 0.000 1.129 191 D HN 0.620 nan 8.370 nan 0.000 0.549 192 T N 0.404 114.996 114.554 0.063 0.000 3.107 192 T HA 0.494 4.833 4.350 -0.019 0.000 0.249 192 T C 0.894 175.648 174.700 0.089 0.000 1.096 192 T CA 0.252 62.403 62.100 0.085 0.000 1.012 192 T CB 0.191 69.134 68.868 0.125 0.000 0.977 192 T HN 0.581 nan 8.240 nan 0.000 0.527 193 G N 0.296 109.147 108.800 0.084 0.000 2.317 193 G HA2 0.268 4.217 3.960 -0.019 0.000 0.445 193 G HA3 0.268 4.217 3.960 -0.019 0.000 0.445 193 G C -1.170 173.771 174.900 0.069 0.000 1.486 193 G CA -0.506 44.606 45.100 0.020 0.000 0.991 193 G HN 0.601 nan 8.290 nan 0.000 0.660 194 V N 0.923 120.817 119.914 -0.034 0.000 2.555 194 V HA 0.767 4.875 4.120 -0.019 0.000 0.286 194 V C -0.501 175.556 176.094 -0.062 0.000 1.044 194 V CA -0.296 62.003 62.300 -0.000 0.000 1.026 194 V CB 0.387 32.182 31.823 -0.048 0.000 0.981 194 V HN 0.685 nan 8.190 nan 0.000 0.480 195 F N 5.774 125.685 119.950 -0.065 0.000 2.532 195 F HA 0.636 5.152 4.527 -0.019 0.000 0.321 195 F C -1.912 173.859 175.800 -0.048 0.000 1.089 195 F CA -2.265 55.702 58.000 -0.054 0.000 0.926 195 F CB 1.739 40.705 39.000 -0.057 0.000 1.168 195 F HN 0.405 nan 8.300 nan 0.000 0.459 196 P HA 0.124 nan 4.420 nan 0.000 0.268 196 P C -0.909 176.446 177.300 0.092 0.000 1.204 196 P CA -0.141 63.006 63.100 0.077 0.000 0.768 196 P CB 0.561 32.296 31.700 0.059 0.000 0.842 197 V N 6.690 126.638 119.914 0.058 0.000 2.408 197 V HA 0.162 4.271 4.120 -0.019 0.000 0.267 197 V C -1.858 174.295 176.094 0.099 0.000 1.047 197 V CA -1.561 60.775 62.300 0.060 0.000 0.937 197 V CB 0.478 32.316 31.823 0.026 0.000 0.999 197 V HN 0.578 nan 8.190 nan 0.000 0.472 198 P HA 0.004 nan 4.420 nan 0.000 0.260 198 P C 0.489 177.951 177.300 0.269 0.000 1.172 198 P CA 0.423 63.607 63.100 0.140 0.000 0.760 198 P CB 0.746 32.489 31.700 0.073 0.000 0.773 199 A N 3.808 126.745 122.820 0.195 0.000 1.935 199 A HA -0.040 4.268 4.320 -0.019 0.000 0.214 199 A C 0.830 178.606 177.584 0.319 0.000 1.178 199 A CA 0.566 52.730 52.037 0.211 0.000 0.640 199 A CB -0.529 18.540 19.000 0.114 0.000 0.825 199 A HN 0.556 nan 8.150 nan 0.000 0.447 200 E N 0.740 121.076 120.200 0.226 0.000 2.452 200 E HA 0.163 4.501 4.350 -0.019 0.000 0.261 200 E C -0.194 176.569 176.600 0.272 0.000 0.987 200 E CA 0.137 56.649 56.400 0.187 0.000 0.926 200 E CB 0.267 30.028 29.700 0.102 0.000 0.934 200 E HN 0.776 nan 8.360 nan 0.000 0.452 201 H N -0.232 119.003 119.070 0.275 0.000 2.508 201 H HA 0.473 5.018 4.556 -0.019 0.000 0.358 201 H C 0.504 175.930 175.328 0.163 0.000 1.212 201 H CA -0.784 55.395 56.048 0.218 0.000 1.356 201 H CB 1.066 30.977 29.762 0.247 0.000 1.525 201 H HN 0.472 nan 8.280 nan 0.000 0.578 202 G N 1.133 110.092 108.800 0.266 0.000 4.637 202 G HA2 0.058 4.007 3.960 -0.019 0.000 0.294 202 G HA3 0.058 4.007 3.960 -0.019 0.000 0.294 202 G C -0.712 174.163 174.900 -0.042 0.000 1.215 202 G CA -0.673 44.441 45.100 0.022 0.000 0.943 202 G HN 0.628 nan 8.290 nan 0.000 0.572 203 N N 1.769 120.597 118.700 0.213 0.000 2.555 203 N HA 0.100 4.829 4.740 -0.019 0.000 0.244 203 N C 0.807 176.230 175.510 -0.144 0.000 1.114 203 N CA -0.404 52.548 53.050 -0.164 0.000 0.963 203 N CB 0.589 38.984 38.487 -0.153 0.000 1.276 203 N HN 0.551 nan 8.380 nan 0.000 0.510 204 Y N -0.295 119.990 120.300 -0.025 0.000 2.680 204 Y HA -0.030 4.509 4.550 -0.018 0.000 0.303 204 Y C 1.706 177.599 175.900 -0.011 0.000 1.166 204 Y CA 0.294 58.368 58.100 -0.044 0.000 1.344 204 Y CB -0.688 37.708 38.460 -0.107 0.000 1.002 204 Y HN 0.303 nan 8.280 nan 0.000 0.537 205 T N -4.174 110.352 114.554 -0.046 0.000 3.044 205 T HA 0.075 4.414 4.350 -0.019 0.000 0.260 205 T C 0.025 174.727 174.700 0.003 0.000 1.019 205 T CA -0.219 61.891 62.100 0.016 0.000 0.921 205 T CB -0.147 68.715 68.868 -0.009 0.000 1.053 205 T HN 0.196 nan 8.240 nan 0.000 0.533 206 D N 3.513 123.913 120.400 -0.000 0.000 2.325 206 D HA 0.208 4.837 4.640 -0.019 0.000 0.251 206 D C -1.079 175.251 176.300 0.051 0.000 1.196 206 D CA -2.500 51.506 54.000 0.010 0.000 0.866 206 D CB 1.856 42.645 40.800 -0.018 0.000 1.101 206 D HN 0.030 nan 8.370 nan 0.000 0.476 207 P HA -0.208 nan 4.420 nan 0.000 0.218 207 P C 1.078 178.410 177.300 0.054 0.000 1.146 207 P CA 0.921 64.044 63.100 0.038 0.000 0.813 207 P CB 0.340 32.053 31.700 0.022 0.000 0.778 208 E N -0.562 119.680 120.200 0.070 0.000 2.153 208 E HA -0.171 4.167 4.350 -0.019 0.000 0.194 208 E C 1.812 178.477 176.600 0.110 0.000 0.988 208 E CA 0.672 57.127 56.400 0.093 0.000 0.811 208 E CB -0.242 29.535 29.700 0.127 0.000 0.746 208 E HN 0.122 nan 8.360 nan 0.000 0.466 209 L N 0.171 121.476 121.223 0.137 0.000 2.316 209 L HA 0.026 4.355 4.340 -0.019 0.000 0.207 209 L C 2.444 179.358 176.870 0.074 0.000 1.070 209 L CA 1.804 56.710 54.840 0.111 0.000 0.820 209 L CB -0.245 41.912 42.059 0.164 0.000 0.992 209 L HN 0.220 nan 8.230 nan 0.000 0.466 210 T N -2.672 111.926 114.554 0.073 0.000 2.985 210 T HA 0.368 4.707 4.350 -0.019 0.000 0.266 210 T C 1.187 175.912 174.700 0.042 0.000 1.076 210 T CA 0.500 62.633 62.100 0.055 0.000 1.135 210 T CB -0.758 68.143 68.868 0.055 0.000 0.890 210 T HN 0.704 nan 8.240 nan 0.000 0.480 211 G N 2.382 111.208 108.800 0.042 0.000 2.782 211 G HA2 -0.065 3.884 3.960 -0.019 0.000 0.228 211 G HA3 -0.065 3.884 3.960 -0.019 0.000 0.228 211 G C -2.738 172.178 174.900 0.027 0.000 1.372 211 G CA -0.563 44.557 45.100 0.033 0.000 0.862 211 G HN 0.570 nan 8.290 nan 0.000 0.547 212 P HA 0.314 nan 4.420 nan 0.000 0.268 212 P C 0.530 177.840 177.300 0.017 0.000 1.204 212 P CA -0.035 63.075 63.100 0.018 0.000 0.768 212 P CB 0.458 32.167 31.700 0.014 0.000 0.842 213 L N 3.665 124.898 121.223 0.016 0.000 2.456 213 L HA 0.157 4.486 4.340 -0.019 0.000 0.272 213 L C 1.463 178.340 176.870 0.011 0.000 1.189 213 L CA -0.286 54.563 54.840 0.015 0.000 0.846 213 L CB -0.040 42.028 42.059 0.015 0.000 1.111 213 L HN 0.346 nan 8.230 nan 0.000 0.475 214 R N 0.587 121.093 120.500 0.009 0.000 2.623 214 R HA 0.069 4.398 4.340 -0.019 0.000 0.271 214 R C 0.856 177.159 176.300 0.006 0.000 1.043 214 R CA 0.406 56.510 56.100 0.007 0.000 1.083 214 R CB 0.276 30.579 30.300 0.005 0.000 0.974 214 R HN 0.733 nan 8.270 nan 0.000 0.436 215 T N -3.801 110.756 114.554 0.005 0.000 3.145 215 T HA -0.002 4.337 4.350 -0.019 0.000 0.281 215 T C 1.191 175.892 174.700 0.003 0.000 1.003 215 T CA 0.054 62.156 62.100 0.004 0.000 0.901 215 T CB 0.292 69.163 68.868 0.004 0.000 1.112 215 T HN 0.655 nan 8.240 nan 0.000 0.535 216 T N -0.530 114.025 114.554 0.002 0.000 3.081 216 T HA 0.159 4.498 4.350 -0.019 0.000 0.255 216 T C 0.688 175.388 174.700 -0.001 0.000 1.113 216 T CA -0.104 61.996 62.100 0.000 0.000 1.082 216 T CB -0.330 68.538 68.868 -0.000 0.000 0.939 216 T HN 0.429 nan 8.240 nan 0.000 0.506 217 Q N 1.751 121.551 119.800 -0.000 0.000 2.323 217 Q HA 0.375 4.704 4.340 -0.019 0.000 0.257 217 Q C -0.765 175.235 176.000 -0.001 0.000 1.022 217 Q CA -0.406 55.396 55.803 -0.001 0.000 0.919 217 Q CB 0.896 29.633 28.738 -0.001 0.000 1.220 217 Q HN 0.119 nan 8.270 nan 0.000 0.427 218 K N 3.480 123.879 120.400 -0.001 0.000 2.118 218 K HA 0.310 4.619 4.320 -0.019 0.000 0.264 218 K C -2.150 174.450 176.600 -0.000 0.000 1.000 218 K CA -1.669 54.617 56.287 -0.001 0.000 0.929 218 K CB 0.239 32.738 32.500 -0.001 0.000 1.021 218 K HN 0.391 nan 8.250 nan 0.000 0.463 219 P HA 0.159 nan 4.420 nan 0.000 0.271 219 P C -0.833 176.468 177.300 0.002 0.000 1.216 219 P CA -0.238 62.864 63.100 0.003 0.000 0.776 219 P CB 0.564 32.266 31.700 0.004 0.000 0.881 220 I N 1.364 121.936 120.570 0.004 0.000 2.382 220 I HA 0.184 4.343 4.170 -0.019 0.000 0.286 220 I C 0.524 176.646 176.117 0.008 0.000 1.002 220 I CA -0.181 61.122 61.300 0.005 0.000 1.135 220 I CB 1.535 39.537 38.000 0.004 0.000 1.288 220 I HN 0.245 nan 8.210 nan 0.000 0.448 221 S N 6.974 122.680 115.700 0.009 0.000 2.422 221 S HA 0.702 5.160 4.470 -0.019 0.000 0.308 221 S C -0.612 173.997 174.600 0.017 0.000 1.097 221 S CA -0.376 57.831 58.200 0.012 0.000 1.099 221 S CB 0.018 63.224 63.200 0.011 0.000 0.976 221 S HN 0.314 nan 8.310 nan 0.000 0.471 222 I N 5.063 125.645 120.570 0.019 0.000 2.382 222 I HA 0.418 4.577 4.170 -0.019 0.000 0.285 222 I C 0.419 176.553 176.117 0.028 0.000 1.007 222 I CA 0.006 61.323 61.300 0.029 0.000 1.142 222 I CB 1.705 39.726 38.000 0.035 0.000 1.289 222 I HN 0.715 nan 8.210 nan 0.000 0.453 223 T N 2.023 116.596 114.554 0.032 0.000 2.883 223 T HA 0.639 4.978 4.350 -0.019 0.000 0.296 223 T C -0.744 173.977 174.700 0.035 0.000 1.117 223 T CA -0.920 61.197 62.100 0.029 0.000 1.006 223 T CB 1.937 70.817 68.868 0.021 0.000 1.191 223 T HN 0.445 nan 8.240 nan 0.000 0.508 224 Q N 1.031 120.849 119.800 0.029 0.000 2.616 224 Q HA 0.269 4.598 4.340 -0.019 0.000 0.250 224 Q C -2.204 173.804 176.000 0.014 0.000 0.991 224 Q CA -1.924 53.896 55.803 0.028 0.000 0.707 224 Q CB 1.843 30.599 28.738 0.031 0.000 1.247 224 Q HN 0.495 nan 8.270 nan 0.000 0.491 225 P HA -0.228 nan 4.420 nan 0.000 0.217 225 P C 0.168 177.470 177.300 0.003 0.000 1.151 225 P CA 1.511 64.616 63.100 0.009 0.000 0.849 225 P CB 0.346 32.052 31.700 0.010 0.000 0.787 226 E N -1.092 119.109 120.200 0.002 0.000 2.465 226 E HA 0.367 4.706 4.350 -0.019 0.000 0.195 226 E C 0.832 177.420 176.600 -0.019 0.000 1.028 226 E CA 0.034 56.431 56.400 -0.005 0.000 0.899 226 E CB 0.057 29.756 29.700 -0.002 0.000 1.032 226 E HN 0.147 nan 8.360 nan 0.000 0.468 227 G N 2.969 111.755 108.800 -0.024 0.000 2.757 227 G HA2 -0.188 3.761 3.960 -0.019 0.000 0.638 227 G HA3 -0.188 3.761 3.960 -0.019 0.000 0.638 227 G C -2.732 172.120 174.900 -0.081 0.000 1.344 227 G CA -0.904 44.163 45.100 -0.056 0.000 0.855 227 G HN 0.011 nan 8.290 nan 0.000 0.537 228 P HA 0.354 nan 4.420 nan 0.000 0.274 228 P C 0.593 177.768 177.300 -0.208 0.000 1.246 228 P CA 0.095 63.034 63.100 -0.269 0.000 0.795 228 P CB 1.247 32.483 31.700 -0.774 0.000 1.006 229 S N -0.010 115.694 115.700 0.008 0.000 2.558 229 S HA 0.113 4.572 4.470 -0.019 0.000 0.217 229 S C 0.690 175.443 174.600 0.256 0.000 0.975 229 S CA 0.113 58.397 58.200 0.140 0.000 0.912 229 S CB -0.739 62.610 63.200 0.248 0.000 0.776 229 S HN 0.566 nan 8.310 nan 0.000 0.526 230 F N 2.026 122.170 119.950 0.323 0.000 2.399 230 F HA 0.747 5.263 4.527 -0.019 0.000 0.328 230 F C 0.145 176.033 175.800 0.146 0.000 1.084 230 F CA -1.171 57.006 58.000 0.295 0.000 1.053 230 F CB 0.325 39.474 39.000 0.249 0.000 1.209 230 F HN -0.142 nan 8.300 nan 0.000 0.502 231 T N -0.151 114.608 114.554 0.343 0.000 2.885 231 T HA 0.751 5.090 4.350 -0.019 0.000 0.285 231 T C -1.120 173.748 174.700 0.280 0.000 1.019 231 T CA -0.807 61.421 62.100 0.213 0.000 1.010 231 T CB 1.531 70.486 68.868 0.145 0.000 1.022 231 T HN 0.685 nan 8.240 nan 0.000 0.466 232 V N 3.286 123.335 119.914 0.224 0.000 2.407 232 V HA 0.686 4.795 4.120 -0.019 0.000 0.291 232 V C 0.319 176.509 176.094 0.160 0.000 1.018 232 V CA -0.654 61.765 62.300 0.199 0.000 0.842 232 V CB 1.233 33.180 31.823 0.207 0.000 0.996 232 V HN 1.302 nan 8.190 nan 0.000 0.426 233 T N 0.130 114.794 114.554 0.184 0.000 2.916 233 T HA 0.689 5.028 4.350 -0.019 0.000 0.292 233 T C 0.822 175.614 174.700 0.153 0.000 1.055 233 T CA -0.057 62.136 62.100 0.155 0.000 1.009 233 T CB 1.799 70.759 68.868 0.154 0.000 1.118 233 T HN 1.749 nan 8.240 nan 0.000 0.497 234 G N -0.143 108.716 108.800 0.099 0.000 2.203 234 G HA2 0.107 4.055 3.960 -0.019 0.000 0.263 234 G HA3 0.107 4.055 3.960 -0.019 0.000 0.263 234 G C 1.339 176.293 174.900 0.090 0.000 1.012 234 G CA 0.991 46.141 45.100 0.082 0.000 0.749 234 G HN 2.411 nan 8.290 nan 0.000 0.512 235 G N -0.115 108.739 108.800 0.091 0.000 2.458 235 G HA2 -0.285 3.664 3.960 -0.019 0.000 0.237 235 G HA3 -0.285 3.664 3.960 -0.019 0.000 0.237 235 G C 0.885 175.838 174.900 0.089 0.000 1.113 235 G CA 1.313 46.462 45.100 0.081 0.000 0.655 235 G HN 2.216 nan 8.290 nan 0.000 0.513 236 N N -0.187 118.577 118.700 0.107 0.000 2.217 236 N HA 0.178 4.907 4.740 -0.019 0.000 0.239 236 N C -0.316 175.259 175.510 0.109 0.000 1.330 236 N CA 0.311 53.417 53.050 0.093 0.000 0.838 236 N CB -0.236 38.300 38.487 0.082 0.000 1.287 236 N HN 0.556 nan 8.380 nan 0.000 0.498 237 H N 1.387 120.492 119.070 0.057 0.000 2.604 237 H HA 0.467 5.012 4.556 -0.019 0.000 0.306 237 H C -0.466 174.905 175.328 0.072 0.000 1.075 237 H CA -0.327 55.754 56.048 0.055 0.000 1.357 237 H CB 0.550 30.347 29.762 0.059 0.000 1.426 237 H HN 0.004 nan 8.280 nan 0.000 0.470 238 I N 4.796 125.112 120.570 -0.423 0.000 2.412 238 I HA 0.273 4.431 4.170 -0.019 0.000 0.296 238 I C -0.095 175.881 176.117 -0.235 0.000 0.987 238 I CA -0.577 60.591 61.300 -0.219 0.000 1.180 238 I CB 1.484 39.377 38.000 -0.179 0.000 1.340 238 I HN 0.706 nan 8.210 nan 0.000 0.455 239 E N 5.291 125.515 120.200 0.041 0.000 2.244 239 E HA 0.344 4.683 4.350 -0.019 0.000 0.260 239 E C -1.806 174.981 176.600 0.313 0.000 0.884 239 E CA -0.583 55.896 56.400 0.133 0.000 0.777 239 E CB 2.646 32.427 29.700 0.135 0.000 1.197 239 E HN 0.572 nan 8.360 nan 0.000 0.416 240 W N 3.975 125.340 121.300 0.108 0.000 3.326 240 W HA 0.164 4.813 4.660 -0.018 0.000 0.333 240 W C -0.630 175.989 176.519 0.167 0.000 1.108 240 W CA -0.392 57.046 57.345 0.155 0.000 1.245 240 W CB 0.965 30.516 29.460 0.152 0.000 1.331 240 W HN 0.345 nan 8.180 nan 0.000 0.464 241 E N 5.872 125.722 120.200 -0.584 0.000 2.149 241 E HA -0.323 4.016 4.350 -0.019 0.000 0.191 241 E C 0.575 176.869 176.600 -0.510 0.000 1.384 241 E CA 1.876 57.857 56.400 -0.697 0.000 0.698 241 E CB -0.992 27.896 29.700 -1.353 0.000 1.086 241 E HN 0.906 nan 8.360 nan 0.000 0.338 242 K N -3.747 116.393 120.400 -0.435 0.000 3.615 242 K HA -0.246 4.063 4.320 -0.019 0.000 0.269 242 K C 0.195 176.375 176.600 -0.700 0.000 1.107 242 K CA 1.776 57.642 56.287 -0.701 0.000 1.059 242 K CB -1.364 30.381 32.500 -1.258 0.000 1.317 242 K HN 0.258 nan 8.250 nan 0.000 0.494 243 W N 1.830 122.932 121.300 -0.329 0.000 2.184 243 W HA 0.407 5.057 4.660 -0.018 0.000 0.338 243 W C 0.707 177.209 176.519 -0.029 0.000 1.257 243 W CA 0.017 57.319 57.345 -0.072 0.000 1.243 243 W CB 1.287 30.852 29.460 0.174 0.000 1.122 243 W HN 0.011 nan 8.180 nan 0.000 0.585 244 S N 3.959 119.824 115.700 0.276 0.000 2.548 244 S HA 0.838 5.297 4.470 -0.019 0.000 0.276 244 S C -1.142 173.497 174.600 0.064 0.000 1.129 244 S CA -0.740 57.525 58.200 0.107 0.000 0.931 244 S CB 0.186 63.464 63.200 0.131 0.000 1.068 244 S HN 0.592 nan 8.310 nan 0.000 0.480 245 L N 0.999 122.148 121.223 -0.123 0.000 3.020 245 L HA 0.744 5.073 4.340 -0.019 0.000 0.273 245 L C -2.119 174.652 176.870 -0.165 0.000 1.018 245 L CA -1.051 53.723 54.840 -0.110 0.000 0.950 245 L CB 1.598 43.591 42.059 -0.110 0.000 1.510 245 L HN 0.410 nan 8.230 nan 0.000 0.404 246 D N 1.331 121.691 120.400 -0.067 0.000 2.505 246 D HA 0.493 5.122 4.640 -0.019 0.000 0.249 246 D C -0.848 175.465 176.300 0.020 0.000 1.082 246 D CA -0.276 53.735 54.000 0.019 0.000 0.839 246 D CB 3.254 44.099 40.800 0.075 0.000 1.317 246 D HN 0.375 nan 8.370 nan 0.000 0.497 247 V N 2.124 122.047 119.914 0.015 0.000 2.348 247 V HA 0.495 4.604 4.120 -0.019 0.000 0.270 247 V C 0.941 177.093 176.094 0.098 0.000 1.037 247 V CA -0.360 61.945 62.300 0.007 0.000 0.872 247 V CB 1.105 32.909 31.823 -0.032 0.000 1.002 247 V HN 0.599 nan 8.190 nan 0.000 0.464 248 G N 3.194 112.091 108.800 0.163 0.000 2.521 248 G HA2 0.720 4.669 3.960 -0.019 0.000 0.323 248 G HA3 0.720 4.669 3.960 -0.019 0.000 0.323 248 G C -1.575 173.430 174.900 0.175 0.000 1.211 248 G CA -0.483 44.741 45.100 0.208 0.000 0.979 248 G HN 0.472 nan 8.290 nan 0.000 0.490 249 F N -0.059 119.877 119.950 -0.022 0.000 2.588 249 F HA 0.514 5.030 4.527 -0.019 0.000 0.314 249 F C -1.464 174.291 175.800 -0.075 0.000 1.134 249 F CA -0.925 57.015 58.000 -0.100 0.000 0.961 249 F CB 2.606 41.532 39.000 -0.124 0.000 1.239 249 F HN 0.526 nan 8.300 nan 0.000 0.448 250 D N 3.846 123.866 120.400 -0.633 0.000 2.646 250 D HA 0.298 4.927 4.640 -0.019 0.000 0.245 250 D C 0.208 176.168 176.300 -0.566 0.000 1.099 250 D CA -0.567 53.214 54.000 -0.364 0.000 0.849 250 D CB 2.393 43.099 40.800 -0.156 0.000 1.448 250 D HN 0.378 nan 8.370 nan 0.000 0.489 251 V N 4.425 124.188 119.914 -0.252 0.000 2.568 251 V HA -0.158 3.951 4.120 -0.019 0.000 0.253 251 V C 2.041 178.068 176.094 -0.112 0.000 1.072 251 V CA 2.293 64.492 62.300 -0.169 0.000 1.084 251 V CB -0.389 31.383 31.823 -0.085 0.000 0.676 251 V HN 0.645 nan 8.190 nan 0.000 0.469 252 R N -0.471 120.025 120.500 -0.008 0.000 2.052 252 R HA -0.040 4.289 4.340 -0.019 0.000 0.224 252 R C 2.230 178.471 176.300 -0.098 0.000 1.149 252 R CA 1.630 57.714 56.100 -0.026 0.000 0.962 252 R CB -0.236 30.006 30.300 -0.098 0.000 0.856 252 R HN 0.581 nan 8.270 nan 0.000 0.433 253 E N -0.493 119.629 120.200 -0.130 0.000 2.299 253 E HA 0.122 4.461 4.350 -0.019 0.000 0.193 253 E C 0.740 177.167 176.600 -0.289 0.000 0.998 253 E CA 0.393 56.721 56.400 -0.119 0.000 0.851 253 E CB 0.484 30.160 29.700 -0.039 0.000 0.795 253 E HN 0.579 nan 8.360 nan 0.000 0.492 254 G N 0.747 109.149 108.800 -0.663 0.000 2.488 254 G HA2 -0.291 3.657 3.960 -0.019 0.000 0.237 254 G HA3 -0.291 3.657 3.960 -0.019 0.000 0.237 254 G C -0.134 174.142 174.900 -1.039 0.000 1.209 254 G CA -0.350 44.006 45.100 -1.241 0.000 0.929 254 G HN 0.100 nan 8.290 nan 0.000 0.578 255 V N 0.732 120.220 119.914 -0.709 0.000 2.585 255 V HA 0.429 4.538 4.120 -0.019 0.000 0.296 255 V C 0.721 176.768 176.094 -0.077 0.000 1.035 255 V CA 0.187 62.411 62.300 -0.127 0.000 1.084 255 V CB 0.995 32.940 31.823 0.205 0.000 0.953 255 V HN 0.913 nan 8.190 nan 0.000 0.483 256 V N 6.724 126.542 119.914 -0.160 0.000 2.588 256 V HA 0.454 4.563 4.120 -0.019 0.000 0.304 256 V C -0.235 175.604 176.094 -0.425 0.000 1.042 256 V CA -0.619 61.498 62.300 -0.305 0.000 0.877 256 V CB 1.899 33.556 31.823 -0.277 0.000 0.996 256 V HN 0.610 nan 8.190 nan 0.000 0.425 257 L N 5.104 125.937 121.223 -0.651 0.000 2.289 257 L HA 0.611 4.940 4.340 -0.019 0.000 0.285 257 L C -0.292 176.235 176.870 -0.572 0.000 1.049 257 L CA -0.505 53.990 54.840 -0.575 0.000 0.804 257 L CB 0.849 42.464 42.059 -0.740 0.000 1.195 257 L HN 0.615 nan 8.230 nan 0.000 0.428 258 H N 3.683 122.592 119.070 -0.269 0.000 2.569 258 H HA 0.266 4.811 4.556 -0.019 0.000 0.357 258 H C -0.137 174.993 175.328 -0.331 0.000 1.153 258 H CA -0.709 55.158 56.048 -0.301 0.000 1.193 258 H CB 1.882 31.436 29.762 -0.347 0.000 1.602 258 H HN 0.577 nan 8.280 nan 0.000 0.523 259 N N 1.293 119.856 118.700 -0.228 0.000 2.714 259 N HA -0.182 4.547 4.740 -0.019 0.000 0.252 259 N C -0.259 175.192 175.510 -0.098 0.000 1.014 259 N CA 0.375 53.300 53.050 -0.208 0.000 0.735 259 N CB -0.971 37.334 38.487 -0.303 0.000 0.924 259 N HN 0.441 nan 8.380 nan 0.000 0.540 260 I N 0.482 121.001 120.570 -0.085 0.000 2.587 260 I HA 0.229 4.388 4.170 -0.019 0.000 0.284 260 I C 1.183 177.361 176.117 0.101 0.000 1.134 260 I CA 0.062 61.378 61.300 0.026 0.000 1.410 260 I CB -0.093 37.905 38.000 -0.004 0.000 1.392 260 I HN 0.295 nan 8.210 nan 0.000 0.545 261 A N 7.129 130.073 122.820 0.208 0.000 2.566 261 A HA 0.805 5.114 4.320 -0.019 0.000 0.292 261 A C -1.560 176.165 177.584 0.235 0.000 1.112 261 A CA -0.527 51.616 52.037 0.177 0.000 0.707 261 A CB 1.972 21.030 19.000 0.098 0.000 1.302 261 A HN 0.450 nan 8.150 nan 0.000 0.409 262 F N 0.625 120.568 119.950 -0.013 0.000 2.539 262 F HA 0.565 5.081 4.527 -0.019 0.000 0.318 262 F C 0.205 176.010 175.800 0.008 0.000 1.135 262 F CA -0.472 57.451 58.000 -0.129 0.000 0.915 262 F CB 1.840 40.690 39.000 -0.249 0.000 1.176 262 F HN 0.593 nan 8.300 nan 0.000 0.440 263 R N 3.673 124.075 120.500 -0.164 0.000 2.248 263 R HA 0.149 4.478 4.340 -0.019 0.000 0.337 263 R C -1.163 175.232 176.300 0.158 0.000 1.085 263 R CA -0.225 55.867 56.100 -0.014 0.000 0.934 263 R CB 0.104 30.334 30.300 -0.117 0.000 1.034 263 R HN 0.450 nan 8.270 nan 0.000 0.465 264 D N 2.952 123.527 120.400 0.292 0.000 2.473 264 D HA 0.278 4.907 4.640 -0.019 0.000 0.226 264 D C 0.966 177.360 176.300 0.156 0.000 1.089 264 D CA 0.543 54.743 54.000 0.334 0.000 0.883 264 D CB 0.803 41.832 40.800 0.382 0.000 1.029 264 D HN 0.661 nan 8.370 nan 0.000 0.517 265 G N 4.599 113.465 108.800 0.109 0.000 2.543 265 G HA2 -0.310 3.639 3.960 -0.019 0.000 0.286 265 G HA3 -0.310 3.639 3.960 -0.019 0.000 0.286 265 G C 0.644 175.567 174.900 0.039 0.000 1.153 265 G CA 0.389 45.524 45.100 0.059 0.000 0.968 265 G HN 0.588 nan 8.290 nan 0.000 0.544 266 D N 1.505 121.923 120.400 0.030 0.000 2.328 266 D HA 0.085 4.714 4.640 -0.019 0.000 0.221 266 D C 1.079 177.392 176.300 0.021 0.000 1.072 266 D CA 0.712 54.724 54.000 0.020 0.000 0.850 266 D CB -0.001 40.806 40.800 0.013 0.000 0.922 266 D HN 0.940 nan 8.370 nan 0.000 0.516 267 R N -0.030 120.489 120.500 0.032 0.000 2.621 267 R HA 0.530 4.859 4.340 -0.019 0.000 0.292 267 R C -1.132 175.200 176.300 0.053 0.000 0.969 267 R CA -1.084 55.034 56.100 0.030 0.000 0.887 267 R CB 1.531 31.838 30.300 0.012 0.000 1.180 267 R HN -0.079 nan 8.270 nan 0.000 0.450 268 L N 3.259 124.508 121.223 0.044 0.000 2.283 268 L HA 0.346 4.675 4.340 -0.019 0.000 0.287 268 L C -0.575 176.335 176.870 0.068 0.000 1.073 268 L CA -0.163 54.714 54.840 0.061 0.000 0.822 268 L CB 0.466 42.553 42.059 0.046 0.000 1.186 268 L HN 0.606 nan 8.230 nan 0.000 0.436 269 R N 7.192 127.767 120.500 0.125 0.000 2.229 269 R HA 0.436 4.765 4.340 -0.019 0.000 0.332 269 R C -2.325 174.069 176.300 0.158 0.000 0.989 269 R CA -1.768 54.413 56.100 0.135 0.000 0.842 269 R CB 0.704 31.110 30.300 0.176 0.000 1.119 269 R HN 0.500 nan 8.270 nan 0.000 0.456 270 P HA 0.077 nan 4.420 nan 0.000 0.272 270 P C -0.102 177.193 177.300 -0.008 0.000 1.223 270 P CA 0.084 63.175 63.100 -0.015 0.000 0.784 270 P CB 1.271 32.886 31.700 -0.142 0.000 0.923 271 I N 0.667 121.176 120.570 -0.102 0.000 3.878 271 I HA 0.247 4.406 4.170 -0.019 0.000 0.273 271 I C 0.701 176.685 176.117 -0.222 0.000 1.165 271 I CA 0.215 61.360 61.300 -0.258 0.000 1.360 271 I CB 0.411 38.145 38.000 -0.443 0.000 1.539 271 I HN 0.139 nan 8.210 nan 0.000 0.447 272 I N 1.510 121.981 120.570 -0.165 0.000 2.478 272 I HA 0.170 4.329 4.170 -0.019 0.000 0.287 272 I C 0.619 176.654 176.117 -0.137 0.000 1.042 272 I CA -0.247 60.968 61.300 -0.142 0.000 1.067 272 I CB 2.122 40.040 38.000 -0.137 0.000 1.233 272 I HN 0.119 nan 8.210 nan 0.000 0.431 273 N N 5.379 124.017 118.700 -0.103 0.000 2.216 273 N HA 0.008 4.737 4.740 -0.019 0.000 0.183 273 N C 0.528 175.976 175.510 -0.103 0.000 1.017 273 N CA 1.002 54.011 53.050 -0.069 0.000 0.861 273 N CB 0.560 39.116 38.487 0.116 0.000 0.986 273 N HN 0.555 nan 8.380 nan 0.000 0.428 274 R N -0.138 120.276 120.500 -0.144 0.000 2.515 274 R HA 0.464 4.793 4.340 -0.019 0.000 0.278 274 R C -2.099 174.027 176.300 -0.290 0.000 1.107 274 R CA -0.498 55.445 56.100 -0.262 0.000 0.945 274 R CB 1.781 31.968 30.300 -0.188 0.000 1.219 274 R HN 0.040 nan 8.270 nan 0.000 0.434 275 A N 2.376 124.948 122.820 -0.413 0.000 2.343 275 A HA 0.740 5.048 4.320 -0.019 0.000 0.308 275 A C -1.023 176.321 177.584 -0.400 0.000 1.092 275 A CA -0.410 51.393 52.037 -0.391 0.000 0.751 275 A CB 1.545 20.193 19.000 -0.587 0.000 1.203 275 A HN 0.827 nan 8.150 nan 0.000 0.452 276 S N 1.311 116.962 115.700 -0.082 0.000 2.615 276 S HA 0.675 5.134 4.470 -0.019 0.000 0.269 276 S C -1.190 173.534 174.600 0.205 0.000 1.161 276 S CA -0.712 57.533 58.200 0.074 0.000 0.817 276 S CB 0.906 64.071 63.200 -0.059 0.000 1.131 276 S HN 0.548 nan 8.310 nan 0.000 0.467 277 I N 2.187 122.898 120.570 0.236 0.000 2.307 277 I HA 0.416 4.575 4.170 -0.019 0.000 0.287 277 I C 1.282 177.499 176.117 0.167 0.000 1.054 277 I CA -0.550 60.874 61.300 0.207 0.000 1.218 277 I CB 0.307 38.521 38.000 0.358 0.000 1.398 277 I HN 0.991 nan 8.210 nan 0.000 0.475 278 A N 5.107 128.000 122.820 0.120 0.000 2.208 278 A HA 0.127 4.436 4.320 -0.019 0.000 0.209 278 A C 0.698 178.334 177.584 0.086 0.000 1.161 278 A CA 0.840 52.971 52.037 0.156 0.000 0.782 278 A CB 0.063 19.174 19.000 0.185 0.000 0.816 278 A HN 0.666 nan 8.150 nan 0.000 0.477 279 E N -1.522 118.672 120.200 -0.009 0.000 2.389 279 E HA 0.518 4.856 4.350 -0.019 0.000 0.281 279 E C -1.119 175.428 176.600 -0.090 0.000 1.072 279 E CA -0.322 56.018 56.400 -0.101 0.000 0.845 279 E CB 0.751 30.224 29.700 -0.380 0.000 1.239 279 E HN 0.487 nan 8.360 nan 0.000 0.434 280 M N 2.111 121.648 119.600 -0.106 0.000 2.294 280 M HA 0.702 5.171 4.480 -0.019 0.000 0.280 280 M C -1.831 174.221 176.300 -0.412 0.000 1.085 280 M CA -0.956 54.131 55.300 -0.355 0.000 0.969 280 M CB 1.907 34.167 32.600 -0.566 0.000 1.770 280 M HN 0.285 nan 8.290 nan 0.000 0.485 281 V N 3.492 123.101 119.914 -0.509 0.000 2.823 281 V HA 0.838 4.947 4.120 -0.019 0.000 0.312 281 V C -1.413 174.269 176.094 -0.687 0.000 1.072 281 V CA -0.510 61.345 62.300 -0.741 0.000 0.937 281 V CB 2.514 33.777 31.823 -0.933 0.000 1.013 281 V HN 0.813 nan 8.190 nan 0.000 0.430 282 V N 8.063 127.556 119.914 -0.701 0.000 2.276 282 V HA 0.418 4.527 4.120 -0.019 0.000 0.268 282 V C -2.438 173.461 176.094 -0.325 0.000 1.032 282 V CA -1.292 60.712 62.300 -0.494 0.000 0.810 282 V CB 1.418 33.066 31.823 -0.293 0.000 1.060 282 V HN 0.826 nan 8.190 nan 0.000 0.446 283 P HA 0.334 nan 4.420 nan 0.000 0.286 283 P C -1.310 175.828 177.300 -0.269 0.000 1.269 283 P CA -0.336 62.639 63.100 -0.209 0.000 0.787 283 P CB 1.086 32.658 31.700 -0.213 0.000 0.920 284 Y N 0.822 121.056 120.300 -0.110 0.000 2.334 284 Y HA 0.455 4.994 4.550 -0.018 0.000 0.328 284 Y C 1.756 177.623 175.900 -0.055 0.000 1.130 284 Y CA 0.276 58.328 58.100 -0.079 0.000 1.163 284 Y CB 1.370 39.719 38.460 -0.186 0.000 1.207 284 Y HN 0.480 nan 8.280 nan 0.000 0.471 285 G N 1.378 110.227 108.800 0.081 0.000 3.707 285 G HA2 0.007 3.956 3.960 -0.019 0.000 0.286 285 G HA3 0.007 3.956 3.960 -0.019 0.000 0.286 285 G C -0.693 174.247 174.900 0.066 0.000 1.112 285 G CA -0.180 44.967 45.100 0.078 0.000 0.861 285 G HN 0.511 nan 8.290 nan 0.000 0.534 286 D N 1.083 121.507 120.400 0.040 0.000 2.317 286 D HA 0.258 4.887 4.640 -0.019 0.000 0.234 286 D C -1.085 175.191 176.300 -0.039 0.000 1.112 286 D CA -2.413 51.572 54.000 -0.025 0.000 0.840 286 D CB 2.313 43.090 40.800 -0.039 0.000 1.078 286 D HN 0.031 nan 8.370 nan 0.000 0.486 287 P HA -0.046 nan 4.420 nan 0.000 0.242 287 P C 0.410 177.697 177.300 -0.021 0.000 1.197 287 P CA 0.017 63.107 63.100 -0.017 0.000 0.765 287 P CB 0.160 31.860 31.700 -0.000 0.000 0.936 288 S N 1.484 117.161 115.700 -0.039 0.000 2.552 288 S HA 0.075 4.534 4.470 -0.019 0.000 0.289 288 S C -1.325 173.270 174.600 -0.009 0.000 1.304 288 S CA -0.880 57.305 58.200 -0.025 0.000 1.063 288 S CB 0.272 63.435 63.200 -0.061 0.000 0.848 288 S HN -0.070 nan 8.310 nan 0.000 0.499 289 P HA -0.065 nan 4.420 nan 0.000 0.221 289 P C 0.959 178.385 177.300 0.210 0.000 1.145 289 P CA 0.763 63.937 63.100 0.123 0.000 0.795 289 P CB 0.018 31.795 31.700 0.129 0.000 0.775 290 I N -1.145 119.501 120.570 0.127 0.000 2.493 290 I HA -0.151 4.008 4.170 -0.019 0.000 0.254 290 I C 1.909 178.121 176.117 0.158 0.000 1.160 290 I CA 1.642 63.055 61.300 0.189 0.000 1.445 290 I CB -0.458 37.555 38.000 0.022 0.000 1.086 290 I HN -0.115 nan 8.210 nan 0.000 0.433 291 R N -1.180 119.200 120.500 -0.200 0.000 2.541 291 R HA 0.148 4.477 4.340 -0.019 0.000 0.332 291 R C 1.882 177.705 176.300 -0.795 0.000 0.951 291 R CA 0.651 56.327 56.100 -0.706 0.000 1.136 291 R CB 0.177 30.209 30.300 -0.448 0.000 1.449 291 R HN 0.295 nan 8.270 nan 0.000 0.531 292 S N 0.847 116.293 115.700 -0.424 0.000 2.500 292 S HA -0.118 4.341 4.470 -0.019 0.000 0.239 292 S C 1.349 175.771 174.600 -0.297 0.000 0.989 292 S CA 0.473 58.520 58.200 -0.256 0.000 0.951 292 S CB -0.402 62.742 63.200 -0.094 0.000 0.759 292 S HN 0.620 nan 8.310 nan 0.000 0.523 293 W N 0.437 121.594 121.300 -0.238 0.000 3.211 293 W HA 0.396 5.045 4.660 -0.019 0.000 0.292 293 W C 0.474 177.031 176.519 0.063 0.000 1.268 293 W CA -0.682 56.416 57.345 -0.411 0.000 1.702 293 W CB -0.599 28.477 29.460 -0.641 0.000 1.092 293 W HN 0.274 nan 8.180 nan 0.000 0.643 294 Q N 2.910 122.314 119.800 -0.660 0.000 2.286 294 Q HA 0.098 4.426 4.340 -0.019 0.000 0.265 294 Q C -0.764 175.264 176.000 0.046 0.000 1.080 294 Q CA 0.692 56.202 55.803 -0.488 0.000 0.906 294 Q CB 0.103 28.217 28.738 -1.039 0.000 1.227 294 Q HN 0.035 nan 8.270 nan 0.000 0.409 295 N N 4.372 123.221 118.700 0.247 0.000 2.655 295 N HA 0.088 4.817 4.740 -0.019 0.000 0.277 295 N C -1.832 173.869 175.510 0.319 0.000 1.177 295 N CA -0.436 52.740 53.050 0.209 0.000 0.882 295 N CB 1.210 39.816 38.487 0.198 0.000 1.481 295 N HN 0.519 nan 8.380 nan 0.000 0.547 296 Y N 0.294 120.667 120.300 0.123 0.000 2.335 296 Y HA 0.670 5.209 4.550 -0.019 0.000 0.338 296 Y C -1.214 174.790 175.900 0.174 0.000 0.977 296 Y CA -1.041 57.242 58.100 0.304 0.000 1.114 296 Y CB 0.603 39.258 38.460 0.325 0.000 1.182 296 Y HN 0.164 nan 8.280 nan 0.000 0.463 297 F N 4.668 124.705 119.950 0.145 0.000 2.406 297 F HA 0.502 5.018 4.527 -0.019 0.000 0.358 297 F C 1.325 177.235 175.800 0.184 0.000 1.161 297 F CA -0.195 57.811 58.000 0.011 0.000 1.185 297 F CB 0.725 39.760 39.000 0.059 0.000 1.421 297 F HN 0.931 nan 8.300 nan 0.000 0.576 298 A N 2.074 124.942 122.820 0.080 0.000 1.892 298 A HA -0.204 4.105 4.320 -0.019 0.000 0.218 298 A C 2.244 180.064 177.584 0.393 0.000 1.188 298 A CA 2.608 54.875 52.037 0.384 0.000 0.631 298 A CB -0.842 18.299 19.000 0.235 0.000 0.822 298 A HN 0.613 nan 8.150 nan 0.000 0.447 299 T N -0.703 113.984 114.554 0.221 0.000 2.698 299 T HA 0.058 4.397 4.350 -0.019 0.000 0.260 299 T C 2.037 176.786 174.700 0.082 0.000 1.044 299 T CA 1.387 63.575 62.100 0.146 0.000 1.149 299 T CB -0.802 68.109 68.868 0.073 0.000 0.864 299 T HN 0.562 nan 8.240 nan 0.000 0.419 300 G N 0.929 109.768 108.800 0.065 0.000 2.408 300 G HA2 -0.135 3.814 3.960 -0.019 0.000 0.217 300 G HA3 -0.135 3.814 3.960 -0.019 0.000 0.217 300 G C 1.464 176.355 174.900 -0.015 0.000 1.150 300 G CA 0.579 45.637 45.100 -0.071 0.000 0.776 300 G HN 0.511 nan 8.290 nan 0.000 0.542 301 E N -1.132 119.151 120.200 0.138 0.000 2.166 301 E HA 0.081 4.420 4.350 -0.019 0.000 0.192 301 E C 1.819 178.425 176.600 0.009 0.000 0.967 301 E CA 0.403 56.825 56.400 0.037 0.000 0.840 301 E CB 0.079 29.805 29.700 0.045 0.000 0.795 301 E HN 0.581 nan 8.360 nan 0.000 0.470 302 Y N -0.044 120.450 120.300 0.324 0.000 2.507 302 Y HA 0.284 4.823 4.550 -0.019 0.000 0.263 302 Y C 0.059 176.200 175.900 0.401 0.000 1.093 302 Y CA -0.037 58.327 58.100 0.440 0.000 1.285 302 Y CB 0.604 39.391 38.460 0.545 0.000 1.115 302 Y HN -0.163 nan 8.280 nan 0.000 0.533 303 L N 0.795 122.259 121.223 0.403 0.000 2.805 303 L HA -0.197 4.131 4.340 -0.019 0.000 0.688 303 L C 1.083 178.120 176.870 0.278 0.000 1.050 303 L CA -0.013 54.965 54.840 0.231 0.000 1.362 303 L CB -1.615 40.533 42.059 0.149 0.000 1.968 303 L HN 0.167 nan 8.230 nan 0.000 0.923 304 V N -0.275 119.808 119.914 0.283 0.000 2.392 304 V HA -0.145 3.964 4.120 -0.019 0.000 0.249 304 V C 2.218 178.469 176.094 0.262 0.000 1.059 304 V CA 2.285 64.796 62.300 0.352 0.000 1.051 304 V CB -0.638 31.368 31.823 0.304 0.000 0.658 304 V HN 0.852 nan 8.190 nan 0.000 0.455 305 G N -0.618 108.191 108.800 0.016 0.000 2.442 305 G HA2 -0.342 3.606 3.960 -0.019 0.000 0.219 305 G HA3 -0.342 3.606 3.960 -0.019 0.000 0.219 305 G C 1.574 176.557 174.900 0.139 0.000 1.141 305 G CA 0.972 46.019 45.100 -0.089 0.000 0.763 305 G HN 0.653 nan 8.290 nan 0.000 0.554 306 Q N -0.751 119.029 119.800 -0.033 0.000 2.181 306 Q HA -0.151 4.178 4.340 -0.019 0.000 0.205 306 Q C 1.185 177.003 176.000 -0.302 0.000 0.980 306 Q CA 1.206 56.863 55.803 -0.243 0.000 0.862 306 Q CB -0.160 28.253 28.738 -0.541 0.000 0.905 306 Q HN 0.629 nan 8.270 nan 0.000 0.429 307 Y N -0.394 120.072 120.300 0.277 0.000 2.571 307 Y HA 0.430 4.969 4.550 -0.019 0.000 0.275 307 Y C 0.308 176.392 175.900 0.306 0.000 1.179 307 Y CA -0.311 57.956 58.100 0.278 0.000 1.242 307 Y CB -0.159 38.475 38.460 0.291 0.000 1.126 307 Y HN 0.069 nan 8.280 nan 0.000 0.524 308 A N 0.970 124.036 122.820 0.410 0.000 2.546 308 A HA 0.065 4.373 4.320 -0.019 0.000 0.243 308 A C 0.309 178.088 177.584 0.325 0.000 1.063 308 A CA -0.231 52.079 52.037 0.456 0.000 0.757 308 A CB -0.280 18.985 19.000 0.441 0.000 0.991 308 A HN 0.604 nan 8.150 nan 0.000 0.503 309 N N 0.979 119.881 118.700 0.337 0.000 2.503 309 N HA 0.275 5.004 4.740 -0.019 0.000 0.267 309 N C -0.341 175.266 175.510 0.162 0.000 1.214 309 N CA -0.298 52.890 53.050 0.229 0.000 0.959 309 N CB 0.647 39.262 38.487 0.214 0.000 1.142 309 N HN 0.557 nan 8.380 nan 0.000 0.455 310 S N 1.350 117.105 115.700 0.092 0.000 2.474 310 S HA 0.210 4.669 4.470 -0.019 0.000 0.276 310 S C 0.011 174.631 174.600 0.034 0.000 1.227 310 S CA -0.585 57.631 58.200 0.026 0.000 1.050 310 S CB 0.074 63.266 63.200 -0.013 0.000 0.939 310 S HN 0.273 nan 8.310 nan 0.000 0.490 311 L N 3.842 125.095 121.223 0.049 0.000 2.281 311 L HA 0.340 4.669 4.340 -0.019 0.000 0.285 311 L C 0.430 177.343 176.870 0.071 0.000 1.074 311 L CA -0.625 54.282 54.840 0.112 0.000 0.817 311 L CB 0.466 42.682 42.059 0.263 0.000 1.168 311 L HN 0.440 nan 8.230 nan 0.000 0.434 312 E N 3.155 123.392 120.200 0.061 0.000 2.289 312 E HA 0.186 4.525 4.350 -0.019 0.000 0.278 312 E C -0.345 176.329 176.600 0.125 0.000 1.032 312 E CA -0.813 55.620 56.400 0.055 0.000 0.854 312 E CB 1.886 31.599 29.700 0.023 0.000 1.046 312 E HN 0.280 nan 8.360 nan 0.000 0.409 313 L N 1.972 123.292 121.223 0.162 0.000 2.485 313 L HA 0.184 4.513 4.340 -0.019 0.000 0.275 313 L C 1.413 178.330 176.870 0.079 0.000 1.207 313 L CA 1.857 56.799 54.840 0.170 0.000 0.855 313 L CB 0.210 42.380 42.059 0.184 0.000 1.114 313 L HN 0.795 nan 8.230 nan 0.000 0.485 314 G N 1.930 110.758 108.800 0.048 0.000 2.347 314 G HA2 -0.367 3.582 3.960 -0.019 0.000 0.247 314 G HA3 -0.367 3.582 3.960 -0.019 0.000 0.247 314 G C 0.936 175.847 174.900 0.018 0.000 1.037 314 G CA 0.562 45.677 45.100 0.024 0.000 0.622 314 G HN 0.797 nan 8.290 nan 0.000 0.521 315 C N -0.250 119.065 119.300 0.025 0.000 2.664 315 C HA 0.296 4.744 4.460 -0.019 0.000 0.285 315 C C 2.316 177.309 174.990 0.006 0.000 1.386 315 C CA 1.361 60.384 59.018 0.008 0.000 1.753 315 C CB -0.617 27.125 27.740 0.003 0.000 2.115 315 C HN 0.541 nan 8.230 nan 0.000 0.577 316 D N -0.061 120.354 120.400 0.024 0.000 2.162 316 D HA 0.032 4.661 4.640 -0.019 0.000 0.205 316 D C 0.210 176.559 176.300 0.080 0.000 0.964 316 D CA 1.084 55.106 54.000 0.036 0.000 0.847 316 D CB 0.067 40.898 40.800 0.052 0.000 0.988 316 D HN 0.410 nan 8.370 nan 0.000 0.480 317 c N 1.834 120.471 118.600 0.063 0.000 2.346 317 c HA 0.524 5.083 4.570 -0.019 0.000 0.326 317 c C -0.274 173.757 174.090 -0.097 0.000 1.224 317 c CA -1.149 55.161 56.329 -0.032 0.000 1.408 317 c CB 0.732 43.210 42.510 -0.052 0.000 2.089 317 c HN 0.160 nan 8.230 nan 0.000 0.456 318 L N 4.097 125.235 121.223 -0.143 0.000 2.322 318 L HA 0.957 5.286 4.340 -0.019 0.000 0.279 318 L C 0.516 177.290 176.870 -0.160 0.000 1.036 318 L CA 1.761 56.539 54.840 -0.103 0.000 0.807 318 L CB 0.945 42.980 42.059 -0.039 0.000 1.226 318 L HN 1.119 nan 8.230 nan 0.000 0.433 319 G N 3.321 112.073 108.800 -0.080 0.000 2.428 319 G HA2 -0.149 3.800 3.960 -0.019 0.000 0.202 319 G HA3 -0.149 3.800 3.960 -0.019 0.000 0.202 319 G C -1.088 173.791 174.900 -0.035 0.000 1.247 319 G CA -0.204 44.870 45.100 -0.042 0.000 1.020 319 G HN 0.755 nan 8.290 nan 0.000 0.529 320 D N 0.867 121.273 120.400 0.011 0.000 2.422 320 D HA 0.485 5.114 4.640 -0.019 0.000 0.227 320 D C -0.292 176.028 176.300 0.034 0.000 1.190 320 D CA -0.095 53.917 54.000 0.020 0.000 0.905 320 D CB 0.350 41.169 40.800 0.033 0.000 1.034 320 D HN 0.306 nan 8.370 nan 0.000 0.507 321 I N 2.174 122.712 120.570 -0.053 0.000 2.392 321 I HA 0.186 4.345 4.170 -0.019 0.000 0.295 321 I C 0.625 176.651 176.117 -0.152 0.000 0.985 321 I CA -0.348 60.864 61.300 -0.147 0.000 1.221 321 I CB 2.060 39.798 38.000 -0.436 0.000 1.366 321 I HN 0.088 nan 8.210 nan 0.000 0.467 322 T N 5.764 120.293 114.554 -0.041 0.000 2.770 322 T HA 0.495 4.834 4.350 -0.019 0.000 0.283 322 T C -0.757 173.906 174.700 -0.062 0.000 0.988 322 T CA -0.298 61.834 62.100 0.054 0.000 0.957 322 T CB 0.199 69.262 68.868 0.326 0.000 0.930 322 T HN 0.110 nan 8.240 nan 0.000 0.443 323 Y N 2.091 122.447 120.300 0.093 0.000 2.376 323 Y HA 0.641 5.180 4.550 -0.018 0.000 0.325 323 Y C 0.255 176.174 175.900 0.032 0.000 1.199 323 Y CA -1.222 56.911 58.100 0.054 0.000 1.206 323 Y CB 0.993 39.475 38.460 0.037 0.000 1.229 323 Y HN 0.370 nan 8.280 nan 0.000 0.480 324 L N 1.354 122.697 121.223 0.200 0.000 2.362 324 L HA 0.526 4.855 4.340 -0.019 0.000 0.271 324 L C -0.611 176.266 176.870 0.011 0.000 1.002 324 L CA -0.666 54.219 54.840 0.075 0.000 0.818 324 L CB 2.039 44.114 42.059 0.026 0.000 1.298 324 L HN 0.527 nan 8.230 nan 0.000 0.420 325 S N 3.116 118.794 115.700 -0.037 0.000 2.406 325 S HA 0.325 4.784 4.470 -0.019 0.000 0.224 325 S C -2.351 172.165 174.600 -0.142 0.000 1.426 325 S CA -1.010 57.132 58.200 -0.097 0.000 1.179 325 S CB 0.731 63.893 63.200 -0.063 0.000 1.042 325 S HN 0.389 nan 8.310 nan 0.000 0.479 326 P HA 0.215 nan 4.420 nan 0.000 0.269 326 P C -0.720 176.473 177.300 -0.179 0.000 1.215 326 P CA -0.262 62.667 63.100 -0.285 0.000 0.780 326 P CB 0.755 32.015 31.700 -0.732 0.000 0.898 327 V N 3.735 123.615 119.914 -0.058 0.000 2.513 327 V HA 0.438 4.547 4.120 -0.019 0.000 0.299 327 V C 0.628 176.744 176.094 0.036 0.000 1.035 327 V CA -0.638 61.653 62.300 -0.016 0.000 0.889 327 V CB 1.511 33.334 31.823 0.000 0.000 0.988 327 V HN 0.498 nan 8.190 nan 0.000 0.440 328 I N 1.080 121.665 120.570 0.025 0.000 3.206 328 I HA 0.708 4.867 4.170 -0.019 0.000 0.313 328 I C -0.218 175.893 176.117 -0.010 0.000 1.103 328 I CA -0.827 60.489 61.300 0.027 0.000 0.985 328 I CB 1.913 39.939 38.000 0.043 0.000 1.240 328 I HN 0.591 nan 8.210 nan 0.000 0.464 329 S N 1.272 116.947 115.700 -0.041 0.000 2.616 329 S HA 0.458 4.917 4.470 -0.019 0.000 0.277 329 S C -0.456 174.115 174.600 -0.049 0.000 1.234 329 S CA -0.433 57.738 58.200 -0.048 0.000 1.028 329 S CB 0.714 63.868 63.200 -0.077 0.000 0.988 329 S HN 0.806 nan 8.310 nan 0.000 0.522 330 D N 2.167 122.552 120.400 -0.026 0.000 2.506 330 D HA 0.438 5.067 4.640 -0.019 0.000 0.272 330 D C 1.108 177.336 176.300 -0.120 0.000 1.214 330 D CA -0.254 53.723 54.000 -0.039 0.000 1.067 330 D CB 0.225 41.051 40.800 0.044 0.000 1.117 330 D HN 0.478 nan 8.370 nan 0.000 0.578 331 A N -1.062 121.592 122.820 -0.278 0.000 2.178 331 A HA -0.021 4.288 4.320 -0.019 0.000 0.218 331 A C 1.284 178.526 177.584 -0.570 0.000 1.157 331 A CA 0.749 52.500 52.037 -0.477 0.000 0.689 331 A CB -0.936 17.657 19.000 -0.679 0.000 0.787 331 A HN 0.457 nan 8.150 nan 0.000 0.465 332 F N -1.795 118.155 119.950 0.001 0.000 2.678 332 F HA 0.410 4.926 4.527 -0.019 0.000 0.305 332 F C 1.722 177.513 175.800 -0.015 0.000 1.090 332 F CA 0.211 58.209 58.000 -0.002 0.000 1.272 332 F CB 0.243 39.242 39.000 -0.003 0.000 1.060 332 F HN 0.284 nan 8.300 nan 0.000 0.576 333 G N 0.212 109.062 108.800 0.083 0.000 2.175 333 G HA2 -0.253 3.696 3.960 -0.019 0.000 0.244 333 G HA3 -0.253 3.696 3.960 -0.019 0.000 0.244 333 G C 0.009 174.923 174.900 0.023 0.000 0.982 333 G CA -0.457 44.660 45.100 0.029 0.000 0.641 333 G HN 0.258 nan 8.290 nan 0.000 0.527 334 N N 2.090 120.829 118.700 0.066 0.000 2.518 334 N HA 0.423 5.151 4.740 -0.019 0.000 0.283 334 N C -2.495 173.024 175.510 0.016 0.000 1.119 334 N CA -1.044 52.031 53.050 0.041 0.000 0.983 334 N CB 1.598 40.128 38.487 0.072 0.000 1.139 334 N HN 0.206 nan 8.380 nan 0.000 0.465 335 P HA 0.185 nan 4.420 nan 0.000 0.276 335 P C -0.610 176.691 177.300 0.002 0.000 1.230 335 P CA -0.088 63.006 63.100 -0.010 0.000 0.776 335 P CB 1.201 32.889 31.700 -0.020 0.000 0.888 336 R N 1.878 122.378 120.500 0.001 0.000 2.532 336 R HA 0.255 4.584 4.340 -0.019 0.000 0.297 336 R C -0.451 175.843 176.300 -0.009 0.000 0.984 336 R CA -0.617 55.485 56.100 0.004 0.000 0.884 336 R CB 1.547 31.855 30.300 0.012 0.000 1.182 336 R HN 0.489 nan 8.270 nan 0.000 0.442 337 E N 5.021 125.212 120.200 -0.015 0.000 2.301 337 E HA 0.177 4.516 4.350 -0.019 0.000 0.275 337 E C -0.687 175.886 176.600 -0.045 0.000 1.030 337 E CA -0.474 55.905 56.400 -0.036 0.000 0.852 337 E CB 0.937 30.617 29.700 -0.033 0.000 1.060 337 E HN 0.546 nan 8.360 nan 0.000 0.401 338 I N 4.915 125.433 120.570 -0.087 0.000 2.313 338 I HA 0.191 4.349 4.170 -0.019 0.000 0.286 338 I C 0.065 176.120 176.117 -0.103 0.000 1.091 338 I CA -0.699 60.547 61.300 -0.089 0.000 1.216 338 I CB 0.454 38.362 38.000 -0.152 0.000 1.434 338 I HN 0.360 nan 8.210 nan 0.000 0.487 339 R N 6.167 126.621 120.500 -0.075 0.000 2.502 339 R HA 0.002 4.331 4.340 -0.019 0.000 0.292 339 R C 0.502 176.717 176.300 -0.141 0.000 0.998 339 R CA 0.534 56.575 56.100 -0.099 0.000 1.056 339 R CB -0.208 30.040 30.300 -0.086 0.000 0.939 339 R HN 0.564 nan 8.270 nan 0.000 0.411 340 N N 2.320 120.910 118.700 -0.183 0.000 2.727 340 N HA -0.180 4.549 4.740 -0.019 0.000 0.249 340 N C 0.536 176.016 175.510 -0.050 0.000 1.048 340 N CA 1.228 54.110 53.050 -0.280 0.000 0.714 340 N CB -1.260 36.750 38.487 -0.795 0.000 0.959 340 N HN 0.845 nan 8.380 nan 0.000 0.544 341 G N -1.314 107.465 108.800 -0.036 0.000 2.572 341 G HA2 0.185 4.134 3.960 -0.019 0.000 0.216 341 G HA3 0.185 4.134 3.960 -0.019 0.000 0.216 341 G C 0.410 175.368 174.900 0.096 0.000 1.133 341 G CA 0.479 45.577 45.100 -0.003 0.000 0.791 341 G HN 0.326 nan 8.290 nan 0.000 0.538 342 I N 0.284 120.921 120.570 0.112 0.000 2.466 342 I HA 0.375 4.534 4.170 -0.019 0.000 0.289 342 I C -0.593 175.653 176.117 0.215 0.000 1.026 342 I CA -1.227 60.169 61.300 0.159 0.000 1.078 342 I CB 1.826 39.860 38.000 0.057 0.000 1.249 342 I HN -0.200 nan 8.210 nan 0.000 0.429 343 c N 6.898 125.598 118.600 0.165 0.000 2.341 343 c HA 0.766 5.325 4.570 -0.019 0.000 0.338 343 c C -0.021 174.075 174.090 0.011 0.000 1.257 343 c CA -0.703 55.651 56.329 0.041 0.000 1.883 343 c CB 0.356 42.911 42.510 0.076 0.000 2.334 343 c HN 0.646 nan 8.230 nan 0.000 0.524 344 M N 5.619 125.188 119.600 -0.052 0.000 2.267 344 M HA 0.493 4.962 4.480 -0.019 0.000 0.289 344 M C -0.710 175.562 176.300 -0.046 0.000 1.043 344 M CA -0.169 55.029 55.300 -0.169 0.000 0.928 344 M CB 1.911 34.317 32.600 -0.323 0.000 1.613 344 M HN 0.963 nan 8.290 nan 0.000 0.450 345 H N 0.959 119.864 119.070 -0.275 0.000 2.987 345 H HA 0.479 5.024 4.556 -0.018 0.000 0.316 345 H C -2.107 173.143 175.328 -0.129 0.000 1.380 345 H CA -1.002 55.039 56.048 -0.012 0.000 1.160 345 H CB 1.178 30.958 29.762 0.030 0.000 1.865 345 H HN 0.753 nan 8.280 nan 0.000 0.521 346 E N 1.104 121.326 120.200 0.037 0.000 2.221 346 E HA 0.538 4.876 4.350 -0.019 0.000 0.268 346 E C -0.912 175.727 176.600 0.066 0.000 0.933 346 E CA -0.915 55.408 56.400 -0.127 0.000 0.809 346 E CB 2.802 32.577 29.700 0.125 0.000 1.190 346 E HN 0.730 nan 8.360 nan 0.000 0.406 347 E N 1.659 121.877 120.200 0.029 0.000 2.383 347 E HA 0.255 4.594 4.350 -0.019 0.000 0.275 347 E C -1.427 175.303 176.600 0.217 0.000 0.918 347 E CA -1.026 55.470 56.400 0.160 0.000 0.764 347 E CB 1.497 31.308 29.700 0.184 0.000 1.252 347 E HN 0.521 nan 8.360 nan 0.000 0.449 348 D N 1.148 121.683 120.400 0.225 0.000 2.443 348 D HA -0.045 4.584 4.640 -0.019 0.000 0.239 348 D C -0.954 175.552 176.300 0.343 0.000 1.136 348 D CA 0.088 54.227 54.000 0.232 0.000 0.879 348 D CB 0.549 41.431 40.800 0.137 0.000 1.195 348 D HN 0.508 nan 8.370 nan 0.000 0.443 349 W N 5.837 127.182 121.300 0.075 0.000 1.340 349 W HA 0.376 5.025 4.660 -0.019 0.000 0.301 349 W C 0.259 176.815 176.519 0.062 0.000 0.834 349 W CA 0.080 57.468 57.345 0.072 0.000 2.473 349 W CB 0.099 29.647 29.460 0.147 0.000 1.837 349 W HN 0.843 nan 8.180 nan 0.000 0.528 350 G N 2.003 110.731 108.800 -0.120 0.000 2.575 350 G HA2 -0.349 3.600 3.960 -0.019 0.000 0.267 350 G HA3 -0.349 3.600 3.960 -0.019 0.000 0.267 350 G C -0.658 174.226 174.900 -0.027 0.000 1.264 350 G CA -0.023 44.992 45.100 -0.140 0.000 0.935 350 G HN 0.094 nan 8.290 nan 0.000 0.568 351 I N 0.784 121.330 120.570 -0.039 0.000 2.441 351 I HA 0.350 4.508 4.170 -0.019 0.000 0.287 351 I C 1.439 177.587 176.117 0.051 0.000 1.049 351 I CA -0.012 61.291 61.300 0.006 0.000 1.381 351 I CB 1.359 39.354 38.000 -0.008 0.000 1.409 351 I HN 0.640 nan 8.210 nan 0.000 0.523 352 L N 6.541 127.811 121.223 0.079 0.000 2.200 352 L HA 0.582 4.910 4.340 -0.019 0.000 0.200 352 L C 0.630 177.562 176.870 0.103 0.000 1.072 352 L CA 1.030 55.937 54.840 0.112 0.000 0.787 352 L CB -0.084 42.051 42.059 0.127 0.000 0.957 352 L HN 0.659 nan 8.230 nan 0.000 0.459 353 A N -0.478 122.413 122.820 0.118 0.000 2.574 353 A HA 0.666 4.975 4.320 -0.019 0.000 0.297 353 A C -1.126 176.579 177.584 0.202 0.000 1.062 353 A CA -0.592 51.542 52.037 0.162 0.000 0.686 353 A CB 1.165 20.303 19.000 0.229 0.000 1.285 353 A HN 0.065 nan 8.150 nan 0.000 0.403 354 K N 0.949 121.470 120.400 0.202 0.000 2.557 354 K HA 0.567 4.876 4.320 -0.019 0.000 0.257 354 K C -2.243 174.505 176.600 0.246 0.000 0.933 354 K CA -0.509 55.908 56.287 0.217 0.000 0.820 354 K CB 1.750 34.313 32.500 0.104 0.000 1.330 354 K HN 1.088 nan 8.250 nan 0.000 0.432 355 H N 0.318 119.466 119.070 0.129 0.000 3.129 355 H HA 0.367 4.912 4.556 -0.019 0.000 0.342 355 H C -1.935 173.423 175.328 0.049 0.000 1.092 355 H CA -0.352 55.726 56.048 0.049 0.000 1.310 355 H CB 1.901 31.663 29.762 0.000 0.000 1.932 355 H HN 0.418 nan 8.280 nan 0.000 0.507 356 S N 4.117 119.462 115.700 -0.592 0.000 2.520 356 S HA 0.164 4.622 4.470 -0.019 0.000 0.324 356 S C -0.759 173.396 174.600 -0.740 0.000 1.069 356 S CA -0.654 57.274 58.200 -0.454 0.000 1.121 356 S CB 0.400 63.465 63.200 -0.225 0.000 0.971 356 S HN 0.650 nan 8.310 nan 0.000 0.463 357 D N 2.298 122.341 120.400 -0.594 0.000 2.280 357 D HA 0.279 4.907 4.640 -0.019 0.000 0.243 357 D C 1.010 177.207 176.300 -0.171 0.000 1.129 357 D CA -0.579 53.213 54.000 -0.347 0.000 0.848 357 D CB 0.803 41.586 40.800 -0.030 0.000 1.107 357 D HN 0.261 nan 8.370 nan 0.000 0.471 358 L N 5.758 126.846 121.223 -0.225 0.000 1.994 358 L HA -0.045 4.284 4.340 -0.019 0.000 0.208 358 L C 1.441 178.314 176.870 0.004 0.000 1.071 358 L CA 1.643 56.384 54.840 -0.165 0.000 0.745 358 L CB -0.518 41.369 42.059 -0.286 0.000 0.892 358 L HN 0.606 nan 8.230 nan 0.000 0.431 359 W N 0.042 121.349 121.300 0.012 0.000 2.335 359 W HA -0.153 4.504 4.660 -0.006 0.000 0.311 359 W C 3.030 179.555 176.519 0.009 0.000 1.213 359 W CA 1.755 59.107 57.345 0.012 0.000 1.274 359 W CB -1.824 27.648 29.460 0.020 0.000 1.148 359 W HN 0.548 nan 8.180 nan 0.000 0.498 360 S N -0.843 115.000 115.700 0.239 0.000 2.470 360 S HA 0.238 4.697 4.470 -0.019 0.000 0.225 360 S C 1.807 176.457 174.600 0.083 0.000 1.006 360 S CA 1.040 59.324 58.200 0.140 0.000 0.934 360 S CB -0.196 63.077 63.200 0.122 0.000 0.778 360 S HN 0.468 nan 8.310 nan 0.000 0.517 361 G N 1.068 109.903 108.800 0.058 0.000 2.184 361 G HA2 -0.201 3.748 3.960 -0.019 0.000 0.264 361 G HA3 -0.201 3.748 3.960 -0.019 0.000 0.264 361 G C -0.008 174.898 174.900 0.012 0.000 0.975 361 G CA 0.275 45.389 45.100 0.025 0.000 0.642 361 G HN 0.515 nan 8.290 nan 0.000 0.536 362 I N 1.371 121.952 120.570 0.018 0.000 2.342 362 I HA 0.314 4.473 4.170 -0.019 0.000 0.291 362 I C -0.279 175.841 176.117 0.005 0.000 1.010 362 I CA -0.977 60.341 61.300 0.029 0.000 1.308 362 I CB 0.948 38.983 38.000 0.059 0.000 1.400 362 I HN -0.002 nan 8.210 nan 0.000 0.488 363 N N 6.657 125.371 118.700 0.023 0.000 2.424 363 N HA 0.285 5.014 4.740 -0.019 0.000 0.271 363 N C -1.113 174.462 175.510 0.109 0.000 0.985 363 N CA -0.362 52.697 53.050 0.015 0.000 0.921 363 N CB 2.072 40.549 38.487 -0.016 0.000 1.149 363 N HN 0.476 nan 8.380 nan 0.000 0.492 364 Y N 1.021 121.306 120.300 -0.026 0.000 2.391 364 Y HA 0.498 5.038 4.550 -0.016 0.000 0.341 364 Y C -0.955 174.952 175.900 0.012 0.000 0.965 364 Y CA -0.309 57.795 58.100 0.007 0.000 1.067 364 Y CB 1.669 40.149 38.460 0.035 0.000 1.199 364 Y HN 0.344 nan 8.280 nan 0.000 0.450 365 T N 6.823 121.201 114.554 -0.294 0.000 3.032 365 T HA 0.565 4.904 4.350 -0.019 0.000 0.312 365 T C -1.359 173.129 174.700 -0.354 0.000 1.078 365 T CA -0.998 60.983 62.100 -0.198 0.000 1.028 365 T CB 1.198 70.012 68.868 -0.090 0.000 1.091 365 T HN 0.417 nan 8.240 nan 0.000 0.457 366 R N 1.847 122.222 120.500 -0.208 0.000 2.686 366 R HA 0.549 4.877 4.340 -0.019 0.000 0.283 366 R C -0.461 175.824 176.300 -0.025 0.000 0.978 366 R CA -0.836 55.175 56.100 -0.149 0.000 0.897 366 R CB 2.383 32.612 30.300 -0.118 0.000 1.192 366 R HN 0.564 nan 8.270 nan 0.000 0.457 367 R N 1.023 121.522 120.500 -0.001 0.000 2.573 367 R HA 0.347 4.676 4.340 -0.019 0.000 0.272 367 R C 0.203 176.569 176.300 0.109 0.000 1.009 367 R CA -0.835 55.294 56.100 0.048 0.000 1.059 367 R CB 0.918 31.243 30.300 0.042 0.000 1.112 367 R HN 0.380 nan 8.270 nan 0.000 0.517 368 N N 0.700 119.500 118.700 0.168 0.000 2.477 368 N HA 0.403 5.132 4.740 -0.019 0.000 0.284 368 N C -0.995 174.722 175.510 0.344 0.000 1.182 368 N CA -0.380 52.835 53.050 0.276 0.000 0.949 368 N CB 1.193 39.895 38.487 0.359 0.000 1.204 368 N HN 0.411 nan 8.380 nan 0.000 0.526 369 R N -0.221 120.532 120.500 0.423 0.000 2.710 369 R HA 0.493 4.822 4.340 -0.019 0.000 0.270 369 R C -0.954 175.601 176.300 0.426 0.000 1.021 369 R CA -0.839 55.525 56.100 0.439 0.000 0.889 369 R CB 2.390 32.980 30.300 0.483 0.000 1.243 369 R HN 0.725 nan 8.270 nan 0.000 0.464 370 R N 0.973 121.531 120.500 0.096 0.000 2.651 370 R HA 0.526 4.855 4.340 -0.019 0.000 0.278 370 R C -1.266 174.567 176.300 -0.779 0.000 1.010 370 R CA -1.006 54.835 56.100 -0.431 0.000 0.896 370 R CB 1.695 31.341 30.300 -1.090 0.000 1.211 370 R HN 0.405 nan 8.270 nan 0.000 0.456 371 M N 2.823 121.635 119.600 -1.313 0.000 2.188 371 M HA 0.337 4.806 4.480 -0.019 0.000 0.357 371 M C -1.522 174.292 176.300 -0.811 0.000 1.204 371 M CA -0.518 53.951 55.300 -1.386 0.000 1.095 371 M CB 1.677 33.234 32.600 -1.737 0.000 1.604 371 M HN 0.520 nan 8.290 nan 0.000 0.464 372 V N 6.674 126.160 119.914 -0.714 0.000 2.448 372 V HA 0.588 4.697 4.120 -0.019 0.000 0.295 372 V C -0.619 175.257 176.094 -0.363 0.000 1.025 372 V CA -0.722 61.318 62.300 -0.434 0.000 0.859 372 V CB 1.695 33.245 31.823 -0.454 0.000 0.988 372 V HN 0.660 nan 8.190 nan 0.000 0.431 373 I N 4.575 125.018 120.570 -0.211 0.000 2.439 373 I HA 0.670 4.828 4.170 -0.019 0.000 0.285 373 I C 0.038 176.158 176.117 0.005 0.000 1.021 373 I CA 0.018 61.254 61.300 -0.107 0.000 1.091 373 I CB 1.619 39.562 38.000 -0.095 0.000 1.242 373 I HN 0.843 nan 8.210 nan 0.000 0.439 374 S N 6.061 121.770 115.700 0.014 0.000 2.638 374 S HA 0.909 5.368 4.470 -0.019 0.000 0.274 374 S C -0.986 173.712 174.600 0.163 0.000 1.157 374 S CA -0.681 57.479 58.200 -0.067 0.000 0.826 374 S CB 2.967 65.795 63.200 -0.619 0.000 1.139 374 S HN 0.481 nan 8.310 nan 0.000 0.474 375 F N -1.313 118.594 119.950 -0.070 0.000 2.686 375 F HA 0.900 5.415 4.527 -0.019 0.000 0.311 375 F C -2.226 173.664 175.800 0.150 0.000 1.128 375 F CA -1.617 56.443 58.000 0.099 0.000 0.946 375 F CB 0.959 40.066 39.000 0.179 0.000 1.336 375 F HN 0.629 nan 8.300 nan 0.000 0.457 376 F N 0.957 120.962 119.950 0.091 0.000 2.547 376 F HA 0.662 5.178 4.527 -0.019 0.000 0.316 376 F C -0.248 175.691 175.800 0.232 0.000 1.121 376 F CA -0.384 57.645 58.000 0.049 0.000 0.911 376 F CB 2.261 41.314 39.000 0.088 0.000 1.179 376 F HN 0.888 nan 8.300 nan 0.000 0.443 377 T N 2.284 117.099 114.554 0.435 0.000 2.924 377 T HA 0.692 5.031 4.350 -0.019 0.000 0.291 377 T C -1.088 173.877 174.700 0.441 0.000 1.045 377 T CA -0.287 62.115 62.100 0.503 0.000 1.015 377 T CB 1.391 70.594 68.868 0.559 0.000 1.103 377 T HN 0.565 nan 8.240 nan 0.000 0.496 378 T N 3.429 118.204 114.554 0.369 0.000 2.841 378 T HA 0.579 4.918 4.350 -0.019 0.000 0.285 378 T C -0.614 174.147 174.700 0.102 0.000 0.991 378 T CA -0.408 61.812 62.100 0.199 0.000 0.966 378 T CB 0.406 69.364 68.868 0.150 0.000 0.962 378 T HN 0.493 nan 8.240 nan 0.000 0.438 379 I N 3.279 123.843 120.570 -0.010 0.000 2.464 379 I HA 0.472 4.630 4.170 -0.019 0.000 0.277 379 I C 1.228 177.159 176.117 -0.309 0.000 1.040 379 I CA -0.474 60.712 61.300 -0.191 0.000 1.153 379 I CB 0.737 38.707 38.000 -0.050 0.000 1.274 379 I HN 0.908 nan 8.210 nan 0.000 0.469 380 G N 6.359 114.982 108.800 -0.296 0.000 2.646 380 G HA2 -0.338 3.611 3.960 -0.019 0.000 0.324 380 G HA3 -0.338 3.611 3.960 -0.019 0.000 0.324 380 G C 0.315 175.094 174.900 -0.201 0.000 1.195 380 G CA 0.616 45.608 45.100 -0.180 0.000 0.976 380 G HN 0.727 nan 8.290 nan 0.000 0.546 384 Y N 0.445 120.822 120.300 0.129 0.000 2.376 384 Y HA 0.707 5.246 4.550 -0.019 0.000 0.340 384 Y C 0.850 176.218 175.900 -0.885 0.000 0.965 384 Y CA -1.044 56.927 58.100 -0.216 0.000 1.078 384 Y CB 2.404 40.879 38.460 0.025 0.000 1.193 384 Y HN 0.441 nan 8.280 nan 0.000 0.452 385 G N 2.412 110.497 108.800 -1.193 0.000 2.372 385 G HA2 0.576 4.525 3.960 -0.019 0.000 0.323 385 G HA3 0.576 4.525 3.960 -0.019 0.000 0.323 385 G C -1.665 172.855 174.900 -0.634 0.000 1.152 385 G CA -0.399 43.862 45.100 -1.398 0.000 0.906 385 G HN 0.332 nan 8.290 nan 0.000 0.460 386 F N 1.494 120.928 119.950 -0.860 0.000 2.402 386 F HA 0.484 5.000 4.527 -0.019 0.000 0.355 386 F C -0.735 174.667 175.800 -0.663 0.000 1.123 386 F CA -0.918 56.758 58.000 -0.541 0.000 1.021 386 F CB 1.789 40.575 39.000 -0.356 0.000 1.160 386 F HN 0.305 nan 8.300 nan 0.000 0.451 387 Y N 1.392 121.244 120.300 -0.747 0.000 2.350 387 Y HA 0.446 4.985 4.550 -0.019 0.000 0.338 387 Y C -1.083 174.090 175.900 -1.211 0.000 0.961 387 Y CA -1.565 56.049 58.100 -0.810 0.000 1.100 387 Y CB 1.407 39.345 38.460 -0.869 0.000 1.179 387 Y HN 0.517 nan 8.280 nan 0.000 0.454 388 W N 3.379 124.338 121.300 -0.568 0.000 2.529 388 W HA 0.617 5.266 4.660 -0.019 0.000 0.321 388 W C -1.413 174.677 176.519 -0.715 0.000 1.047 388 W CA -0.723 56.312 57.345 -0.516 0.000 1.216 388 W CB 1.177 30.507 29.460 -0.217 0.000 1.357 388 W HN 0.326 nan 8.180 nan 0.000 0.489 389 Y N 2.849 123.045 120.300 -0.175 0.000 2.446 389 Y HA 0.676 5.215 4.550 -0.019 0.000 0.345 389 Y C -0.283 175.299 175.900 -0.530 0.000 0.984 389 Y CA -1.725 56.080 58.100 -0.491 0.000 1.058 389 Y CB 1.225 39.272 38.460 -0.687 0.000 1.220 389 Y HN 0.064 nan 8.280 nan 0.000 0.455 390 L N 3.811 124.679 121.223 -0.591 0.000 2.376 390 L HA 0.521 4.850 4.340 -0.019 0.000 0.275 390 L C -1.267 175.402 176.870 -0.335 0.000 0.987 390 L CA -0.835 53.605 54.840 -0.667 0.000 0.828 390 L CB 1.337 42.700 42.059 -1.159 0.000 1.249 390 L HN 0.594 nan 8.230 nan 0.000 0.409 391 Y N 1.855 122.307 120.300 0.253 0.000 2.453 391 Y HA 0.326 4.865 4.550 -0.018 0.000 0.326 391 Y C 1.203 177.557 175.900 0.756 0.000 1.186 391 Y CA -0.732 57.631 58.100 0.439 0.000 1.200 391 Y CB 1.434 40.042 38.460 0.247 0.000 1.247 391 Y HN 0.441 nan 8.280 nan 0.000 0.482 392 L N 0.632 122.279 121.223 0.707 0.000 2.079 392 L HA -0.198 4.130 4.340 -0.019 0.000 0.210 392 L C 1.649 178.765 176.870 0.410 0.000 1.081 392 L CA 1.644 56.758 54.840 0.456 0.000 0.752 392 L CB -0.338 41.871 42.059 0.251 0.000 0.896 392 L HN 0.760 nan 8.230 nan 0.000 0.433 393 D N -0.382 120.240 120.400 0.370 0.000 2.352 393 D HA -0.014 4.615 4.640 -0.019 0.000 0.232 393 D C 1.423 177.820 176.300 0.162 0.000 1.055 393 D CA 0.888 54.995 54.000 0.179 0.000 0.891 393 D CB 0.238 41.115 40.800 0.129 0.000 0.897 393 D HN 0.344 nan 8.370 nan 0.000 0.529 394 G N -0.641 108.427 108.800 0.447 0.000 2.194 394 G HA2 -0.241 3.707 3.960 -0.019 0.000 0.236 394 G HA3 -0.241 3.707 3.960 -0.019 0.000 0.236 394 G C 0.406 175.797 174.900 0.818 0.000 0.987 394 G CA 0.184 45.578 45.100 0.489 0.000 0.635 394 G HN 0.457 nan 8.290 nan 0.000 0.520 395 T N 1.395 116.344 114.554 0.659 0.000 2.919 395 T HA 0.561 4.900 4.350 -0.019 0.000 0.302 395 T C 0.511 175.582 174.700 0.618 0.000 1.031 395 T CA 0.460 62.887 62.100 0.544 0.000 1.127 395 T CB 1.256 70.259 68.868 0.226 0.000 0.952 395 T HN 0.343 nan 8.240 nan 0.000 0.540 396 I N 2.529 123.380 120.570 0.468 0.000 2.465 396 I HA 0.502 4.660 4.170 -0.019 0.000 0.291 396 I C 0.076 176.336 176.117 0.239 0.000 1.014 396 I CA -0.646 60.818 61.300 0.273 0.000 1.093 396 I CB 1.931 40.063 38.000 0.220 0.000 1.267 396 I HN 0.613 nan 8.210 nan 0.000 0.431 397 E N 5.609 125.902 120.200 0.156 0.000 2.356 397 E HA 0.496 4.835 4.350 -0.019 0.000 0.275 397 E C -2.044 174.352 176.600 -0.339 0.000 0.904 397 E CA -0.631 55.747 56.400 -0.037 0.000 0.757 397 E CB 2.759 32.582 29.700 0.205 0.000 1.232 397 E HN 0.416 nan 8.360 nan 0.000 0.442 398 F N 2.294 121.641 119.950 -1.004 0.000 2.532 398 F HA 0.539 5.055 4.527 -0.019 0.000 0.321 398 F C -1.209 174.025 175.800 -0.943 0.000 1.089 398 F CA -0.519 56.692 58.000 -1.315 0.000 0.926 398 F CB 1.836 39.710 39.000 -1.876 0.000 1.168 398 F HN 0.522 nan 8.300 nan 0.000 0.459 399 E N 4.145 123.151 120.200 -1.990 0.000 2.278 399 E HA 0.674 5.013 4.350 -0.019 0.000 0.272 399 E C -1.960 173.759 176.600 -1.468 0.000 0.890 399 E CA -0.935 54.710 56.400 -1.258 0.000 0.770 399 E CB 1.761 31.133 29.700 -0.547 0.000 1.212 399 E HN 0.889 nan 8.360 nan 0.000 0.415 400 A N 4.396 126.608 122.820 -1.013 0.000 2.312 400 A HA 0.588 4.897 4.320 -0.019 0.000 0.326 400 A C -0.787 176.524 177.584 -0.457 0.000 1.172 400 A CA -0.681 50.855 52.037 -0.835 0.000 0.821 400 A CB 0.871 19.221 19.000 -1.084 0.000 1.166 400 A HN 0.553 nan 8.150 nan 0.000 0.493 401 K N 1.469 121.668 120.400 -0.334 0.000 2.450 401 K HA 0.574 4.883 4.320 -0.019 0.000 0.257 401 K C -0.730 175.830 176.600 -0.067 0.000 0.953 401 K CA -0.316 55.873 56.287 -0.164 0.000 0.844 401 K CB 2.156 34.609 32.500 -0.079 0.000 1.103 401 K HN 0.742 nan 8.250 nan 0.000 0.429 402 A N 2.478 125.285 122.820 -0.022 0.000 2.276 402 A HA 0.595 4.904 4.320 -0.019 0.000 0.316 402 A C -0.110 177.447 177.584 -0.045 0.000 1.229 402 A CA -0.246 51.784 52.037 -0.012 0.000 0.851 402 A CB 1.332 20.274 19.000 -0.098 0.000 1.165 402 A HN 0.683 nan 8.150 nan 0.000 0.513 403 T N 0.792 115.308 114.554 -0.063 0.000 2.606 403 T HA 0.792 5.131 4.350 -0.019 0.000 0.289 403 T C 0.373 175.003 174.700 -0.117 0.000 1.113 403 T CA 1.051 63.125 62.100 -0.044 0.000 1.106 403 T CB 0.646 69.531 68.868 0.029 0.000 1.611 403 T HN 2.656 nan 8.240 nan 0.000 0.471 404 G N -0.123 108.598 108.800 -0.133 0.000 2.445 404 G HA2 0.022 3.970 3.960 -0.019 0.000 0.212 404 G HA3 0.022 3.970 3.960 -0.019 0.000 0.212 404 G C -1.198 173.574 174.900 -0.212 0.000 1.217 404 G CA -0.198 44.785 45.100 -0.196 0.000 1.002 404 G HN 1.357 nan 8.290 nan 0.000 0.574 405 V N 1.319 121.066 119.914 -0.277 0.000 2.495 405 V HA 0.614 4.723 4.120 -0.019 0.000 0.298 405 V C 1.112 177.091 176.094 -0.192 0.000 1.031 405 V CA -0.116 62.036 62.300 -0.246 0.000 0.871 405 V CB 1.154 32.744 31.823 -0.389 0.000 0.988 405 V HN 1.689 nan 8.190 nan 0.000 0.432 406 V N 2.319 122.274 119.914 0.068 0.000 2.843 406 V HA 0.351 4.460 4.120 -0.019 0.000 0.305 406 V C -0.112 176.030 176.094 0.081 0.000 1.065 406 V CA -0.263 62.123 62.300 0.143 0.000 1.116 406 V CB 0.237 32.215 31.823 0.260 0.000 0.968 406 V HN 0.615 nan 8.190 nan 0.000 0.487 407 F N 4.614 124.541 119.950 -0.039 0.000 2.495 407 F HA 0.504 5.020 4.527 -0.019 0.000 0.365 407 F C 0.997 176.871 175.800 0.122 0.000 1.090 407 F CA 0.567 58.557 58.000 -0.017 0.000 1.235 407 F CB 0.816 39.759 39.000 -0.095 0.000 1.119 407 F HN 1.012 nan 8.300 nan 0.000 0.562 408 T N 1.689 116.201 114.554 -0.071 0.000 2.937 408 T HA 0.837 5.176 4.350 -0.019 0.000 0.283 408 T C -0.256 174.480 174.700 0.060 0.000 1.012 408 T CA -0.237 61.896 62.100 0.054 0.000 0.997 408 T CB 1.618 70.511 68.868 0.041 0.000 1.136 408 T HN 0.746 nan 8.240 nan 0.000 0.551 409 S N -0.510 115.197 115.700 0.012 0.000 2.727 409 S HA 0.790 5.249 4.470 -0.019 0.000 0.278 409 S C -0.595 173.964 174.600 -0.069 0.000 1.186 409 S CA -0.785 57.378 58.200 -0.061 0.000 0.836 409 S CB 0.770 63.940 63.200 -0.050 0.000 1.186 409 S HN 1.415 nan 8.310 nan 0.000 0.499 410 A N 0.356 123.098 122.820 -0.130 0.000 2.286 410 A HA 0.731 5.039 4.320 -0.019 0.000 0.286 410 A C -0.905 176.718 177.584 0.065 0.000 1.097 410 A CA -0.447 51.578 52.037 -0.021 0.000 0.821 410 A CB -0.010 18.986 19.000 -0.007 0.000 1.076 410 A HN 0.998 nan 8.150 nan 0.000 0.490 411 F N 3.440 123.386 119.950 -0.008 0.000 2.385 411 F HA 0.489 5.005 4.527 -0.019 0.000 0.360 411 F C -1.850 173.986 175.800 0.060 0.000 1.122 411 F CA -2.683 55.316 58.000 -0.002 0.000 1.090 411 F CB 1.165 40.151 39.000 -0.023 0.000 1.150 411 F HN 0.373 nan 8.300 nan 0.000 0.472 412 P HA -0.030 nan 4.420 nan 0.000 0.266 412 P C 0.410 177.527 177.300 -0.305 0.000 1.195 412 P CA 0.188 63.137 63.100 -0.251 0.000 0.768 412 P CB 0.936 32.495 31.700 -0.235 0.000 0.838 413 E N 2.579 122.713 120.200 -0.111 0.000 2.085 413 E HA -0.151 4.188 4.350 -0.019 0.000 0.194 413 E C 1.734 178.296 176.600 -0.064 0.000 0.994 413 E CA 1.483 57.854 56.400 -0.048 0.000 0.801 413 E CB -0.610 29.067 29.700 -0.038 0.000 0.743 413 E HN 0.717 nan 8.360 nan 0.000 0.453 414 G N -0.022 108.715 108.800 -0.105 0.000 3.279 414 G HA2 0.356 4.305 3.960 -0.019 0.000 0.230 414 G HA3 0.356 4.305 3.960 -0.019 0.000 0.230 414 G C 0.494 175.329 174.900 -0.107 0.000 1.230 414 G CA 0.260 45.312 45.100 -0.079 0.000 0.891 414 G HN 0.573 nan 8.290 nan 0.000 0.518 415 G N -1.054 107.618 108.800 -0.214 0.000 2.782 415 G HA2 0.203 4.151 3.960 -0.019 0.000 0.228 415 G HA3 0.203 4.151 3.960 -0.019 0.000 0.228 415 G C -0.278 174.408 174.900 -0.356 0.000 1.372 415 G CA 0.034 44.992 45.100 -0.238 0.000 0.862 415 G HN 1.413 nan 8.290 nan 0.000 0.547 416 S N -1.347 114.234 115.700 -0.200 0.000 2.543 416 S HA 0.596 5.055 4.470 -0.019 0.000 0.274 416 S C -0.363 174.209 174.600 -0.046 0.000 1.149 416 S CA 0.400 58.497 58.200 -0.172 0.000 0.866 416 S CB 1.723 64.746 63.200 -0.295 0.000 1.111 416 S HN 0.630 nan 8.310 nan 0.000 0.457 417 D N 2.442 122.812 120.400 -0.051 0.000 2.349 417 D HA 0.203 4.832 4.640 -0.019 0.000 0.214 417 D C 0.244 176.529 176.300 -0.024 0.000 1.063 417 D CA 0.363 54.383 54.000 0.033 0.000 0.847 417 D CB 0.070 40.903 40.800 0.054 0.000 0.933 417 D HN 0.612 nan 8.370 nan 0.000 0.513 418 N N -0.493 118.012 118.700 -0.326 0.000 2.184 418 N HA 0.214 4.943 4.740 -0.019 0.000 0.234 418 N C -0.718 174.046 175.510 -1.244 0.000 1.282 418 N CA -0.057 52.587 53.050 -0.676 0.000 0.877 418 N CB 1.450 39.809 38.487 -0.213 0.000 1.184 418 N HN -0.067 nan 8.380 nan 0.000 0.510 419 I N 0.170 120.149 120.570 -0.985 0.000 2.722 419 I HA 0.322 4.481 4.170 -0.019 0.000 0.295 419 I C -0.569 175.537 176.117 -0.019 0.000 1.161 419 I CA -0.862 60.156 61.300 -0.471 0.000 1.032 419 I CB 2.120 40.064 38.000 -0.095 0.000 1.244 419 I HN -0.046 nan 8.210 nan 0.000 0.421 420 S N 3.833 119.664 115.700 0.218 0.000 2.593 420 S HA 0.645 5.104 4.470 -0.019 0.000 0.297 420 S C -0.635 173.942 174.600 -0.039 0.000 1.112 420 S CA -0.822 57.535 58.200 0.261 0.000 1.043 420 S CB 1.755 65.177 63.200 0.370 0.000 1.054 420 S HN 0.646 nan 8.310 nan 0.000 0.516 421 Q N 1.035 120.545 119.800 -0.483 0.000 2.274 421 Q HA 0.432 4.760 4.340 -0.019 0.000 0.256 421 Q C -0.141 175.641 176.000 -0.363 0.000 0.927 421 Q CA -0.485 54.840 55.803 -0.796 0.000 0.939 421 Q CB 0.748 28.626 28.738 -1.433 0.000 1.201 421 Q HN 0.869 nan 8.270 nan 0.000 0.426 422 L N 2.210 123.242 121.223 -0.319 0.000 2.470 422 L HA 0.502 4.831 4.340 -0.019 0.000 0.219 422 L C 0.403 177.114 176.870 -0.265 0.000 1.071 422 L CA 0.147 54.831 54.840 -0.259 0.000 0.850 422 L CB 0.529 42.341 42.059 -0.412 0.000 1.040 422 L HN 0.628 nan 8.230 nan 0.000 0.475 423 A N -1.217 121.417 122.820 -0.310 0.000 2.564 423 A HA 0.609 4.917 4.320 -0.019 0.000 0.291 423 A C -2.737 174.759 177.584 -0.146 0.000 1.102 423 A CA -0.998 50.928 52.037 -0.186 0.000 0.660 423 A CB 0.253 19.136 19.000 -0.194 0.000 1.283 423 A HN -0.243 nan 8.150 nan 0.000 0.430 424 P HA 0.255 nan 4.420 nan 0.000 0.257 424 P C 1.026 178.329 177.300 0.005 0.000 1.189 424 P CA 2.500 65.589 63.100 -0.018 0.000 0.780 424 P CB 0.183 31.890 31.700 0.012 0.000 0.772 425 G N 2.409 111.240 108.800 0.051 0.000 2.189 425 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.267 425 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.267 425 G C -0.107 174.843 174.900 0.083 0.000 0.975 425 G CA -0.080 45.087 45.100 0.112 0.000 0.644 425 G HN 0.563 nan 8.290 nan 0.000 0.537 426 L N 1.743 122.944 121.223 -0.037 0.000 2.264 426 L HA 0.785 5.114 4.340 -0.019 0.000 0.289 426 L C 0.695 177.490 176.870 -0.126 0.000 1.044 426 L CA 0.158 54.913 54.840 -0.141 0.000 0.807 426 L CB 1.104 42.941 42.059 -0.370 0.000 1.192 426 L HN 0.378 nan 8.230 nan 0.000 0.425 427 G N 3.386 112.176 108.800 -0.017 0.000 2.537 427 G HA2 0.781 4.729 3.960 -0.019 0.000 0.323 427 G HA3 0.781 4.729 3.960 -0.019 0.000 0.323 427 G C -1.633 173.277 174.900 0.017 0.000 1.207 427 G CA -0.349 44.798 45.100 0.079 0.000 0.976 427 G HN 0.946 nan 8.290 nan 0.000 0.487 428 A N 1.264 124.135 122.820 0.085 0.000 2.522 428 A HA 0.750 5.059 4.320 -0.019 0.000 0.285 428 A C -2.838 174.874 177.584 0.213 0.000 1.198 428 A CA -1.301 50.821 52.037 0.143 0.000 0.742 428 A CB 1.609 20.684 19.000 0.124 0.000 1.176 428 A HN 0.398 nan 8.150 nan 0.000 0.444 429 P HA 0.169 nan 4.420 nan 0.000 0.266 429 P C -0.351 177.207 177.300 0.429 0.000 1.195 429 P CA 0.288 63.528 63.100 0.234 0.000 0.768 429 P CB 0.161 32.043 31.700 0.302 0.000 0.838 430 F N 3.578 123.626 119.950 0.164 0.000 2.506 430 F HA 0.222 4.738 4.527 -0.018 0.000 0.351 430 F C 1.641 177.365 175.800 -0.126 0.000 1.136 430 F CA 0.505 58.486 58.000 -0.031 0.000 1.298 430 F CB -0.401 38.592 39.000 -0.011 0.000 1.145 430 F HN 0.505 nan 8.300 nan 0.000 0.593 431 H N -0.480 118.432 119.070 -0.262 0.000 2.887 431 H HA 0.476 5.021 4.556 -0.019 0.000 0.290 431 H C -1.846 173.174 175.328 -0.513 0.000 1.429 431 H CA -1.114 54.588 56.048 -0.577 0.000 1.137 431 H CB 1.327 30.332 29.762 -1.261 0.000 1.824 431 H HN 0.580 nan 8.280 nan 0.000 0.520 432 Q N 0.066 119.558 119.800 -0.513 0.000 2.451 432 Q HA 0.384 4.713 4.340 -0.019 0.000 0.281 432 Q C -1.117 174.584 176.000 -0.498 0.000 1.099 432 Q CA -0.981 54.560 55.803 -0.437 0.000 0.806 432 Q CB 2.910 31.457 28.738 -0.319 0.000 1.419 432 Q HN 0.524 nan 8.270 nan 0.000 0.427 433 H N 1.571 120.533 119.070 -0.180 0.000 2.887 433 H HA 0.361 4.906 4.556 -0.019 0.000 0.300 433 H C -0.898 174.197 175.328 -0.388 0.000 1.038 433 H CA -0.350 55.528 56.048 -0.284 0.000 1.352 433 H CB 0.813 30.519 29.762 -0.094 0.000 1.473 433 H HN 0.373 nan 8.280 nan 0.000 0.503 434 I N 4.332 124.631 120.570 -0.453 0.000 2.362 434 I HA 0.247 4.406 4.170 -0.019 0.000 0.289 434 I C -0.057 175.750 176.117 -0.518 0.000 0.994 434 I CA -0.631 60.444 61.300 -0.375 0.000 1.158 434 I CB 0.552 38.373 38.000 -0.298 0.000 1.315 434 I HN 0.223 nan 8.210 nan 0.000 0.451 435 F N 2.957 122.597 119.950 -0.516 0.000 2.483 435 F HA 0.527 5.043 4.527 -0.018 0.000 0.329 435 F C 0.806 176.372 175.800 -0.390 0.000 1.064 435 F CA -0.841 56.814 58.000 -0.574 0.000 0.986 435 F CB 1.621 39.975 39.000 -1.076 0.000 1.218 435 F HN 0.349 nan 8.300 nan 0.000 0.484 436 S N 1.152 116.870 115.700 0.030 0.000 2.707 436 S HA 0.769 5.228 4.470 -0.019 0.000 0.312 436 S C -0.934 173.762 174.600 0.161 0.000 1.116 436 S CA -0.553 57.707 58.200 0.100 0.000 1.078 436 S CB 0.472 63.579 63.200 -0.155 0.000 0.997 436 S HN 0.836 nan 8.310 nan 0.000 0.477 437 A N 4.871 127.842 122.820 0.252 0.000 2.276 437 A HA 0.605 4.914 4.320 -0.019 0.000 0.300 437 A C 0.167 177.767 177.584 0.027 0.000 1.235 437 A CA -0.664 51.477 52.037 0.173 0.000 0.867 437 A CB 0.322 19.389 19.000 0.112 0.000 1.137 437 A HN 0.855 nan 8.150 nan 0.000 0.527 438 R N 3.545 123.995 120.500 -0.084 0.000 2.198 438 R HA 0.522 4.851 4.340 -0.019 0.000 0.339 438 R C -1.539 174.564 176.300 -0.329 0.000 1.020 438 R CA -0.331 55.509 56.100 -0.434 0.000 0.864 438 R CB 0.250 30.157 30.300 -0.655 0.000 1.105 438 R HN 0.708 nan 8.270 nan 0.000 0.463 439 L N 4.590 125.614 121.223 -0.332 0.000 2.313 439 L HA 0.249 4.577 4.340 -0.019 0.000 0.273 439 L C -0.454 176.295 176.870 -0.202 0.000 1.028 439 L CA -0.867 53.859 54.840 -0.189 0.000 0.871 439 L CB 1.426 43.440 42.059 -0.076 0.000 1.242 439 L HN 0.567 nan 8.230 nan 0.000 0.434 440 D N 4.918 125.211 120.400 -0.180 0.000 2.383 440 D HA 0.151 4.779 4.640 -0.019 0.000 0.245 440 D C 0.199 176.490 176.300 -0.016 0.000 1.263 440 D CA -0.222 53.731 54.000 -0.079 0.000 0.936 440 D CB 0.599 41.373 40.800 -0.042 0.000 1.053 440 D HN 0.142 nan 8.370 nan 0.000 0.507 441 M N 2.312 121.921 119.600 0.014 0.000 2.240 441 M HA 0.375 4.844 4.480 -0.019 0.000 0.333 441 M C 0.409 176.742 176.300 0.055 0.000 1.110 441 M CA -0.432 54.879 55.300 0.018 0.000 1.173 441 M CB 0.795 33.416 32.600 0.034 0.000 1.458 441 M HN 0.498 nan 8.290 nan 0.000 0.458 442 A N 3.261 126.049 122.820 -0.054 0.000 3.368 442 A HA 0.373 4.682 4.320 -0.019 0.000 0.211 442 A C -0.384 177.121 177.584 -0.132 0.000 1.004 442 A CA -0.558 51.368 52.037 -0.184 0.000 1.059 442 A CB 0.093 18.817 19.000 -0.460 0.000 1.298 442 A HN 0.610 nan 8.150 nan 0.000 0.613 443 I N 1.596 122.151 120.570 -0.026 0.000 2.680 443 I HA 0.031 4.190 4.170 -0.019 0.000 0.286 443 I C 0.483 176.662 176.117 0.104 0.000 1.144 443 I CA 0.895 62.246 61.300 0.085 0.000 1.370 443 I CB -0.912 37.178 38.000 0.150 0.000 1.420 443 I HN 0.488 nan 8.210 nan 0.000 0.540 444 D N 4.978 125.463 120.400 0.142 0.000 2.882 444 D HA -0.168 4.461 4.640 -0.019 0.000 0.229 444 D C 0.638 176.904 176.300 -0.056 0.000 1.167 444 D CA 1.704 55.719 54.000 0.024 0.000 0.759 444 D CB -0.713 40.060 40.800 -0.045 0.000 1.088 444 D HN 1.123 nan 8.370 nan 0.000 0.425 445 G N -2.352 106.366 108.800 -0.135 0.000 2.343 445 G HA2 -0.031 3.918 3.960 -0.019 0.000 0.465 445 G HA3 -0.031 3.918 3.960 -0.019 0.000 0.465 445 G C 0.152 174.914 174.900 -0.229 0.000 1.282 445 G CA -0.384 44.582 45.100 -0.224 0.000 0.996 445 G HN 0.011 nan 8.290 nan 0.000 0.521 446 F N 0.759 120.703 119.950 -0.010 0.000 2.710 446 F HA 0.222 4.738 4.527 -0.018 0.000 0.298 446 F C 2.278 178.080 175.800 0.003 0.000 1.137 446 F CA 1.150 59.139 58.000 -0.018 0.000 1.444 446 F CB 0.288 39.261 39.000 -0.044 0.000 1.111 446 F HN 0.276 nan 8.300 nan 0.000 0.580 447 T N 2.291 116.942 114.554 0.161 0.000 2.987 447 T HA 0.147 4.486 4.350 -0.019 0.000 0.288 447 T C -0.038 174.719 174.700 0.095 0.000 0.981 447 T CA -0.020 62.148 62.100 0.114 0.000 1.031 447 T CB -0.775 68.140 68.868 0.078 0.000 0.976 447 T HN 0.207 nan 8.240 nan 0.000 0.612 448 N N 2.115 120.880 118.700 0.109 0.000 2.453 448 N HA 0.772 5.501 4.740 -0.019 0.000 0.290 448 N C -0.392 175.175 175.510 0.095 0.000 1.250 448 N CA -1.334 51.775 53.050 0.099 0.000 0.815 448 N CB 1.993 40.545 38.487 0.107 0.000 1.381 448 N HN 0.485 nan 8.380 nan 0.000 0.510 449 R N -1.091 119.465 120.500 0.094 0.000 2.710 449 R HA 0.631 4.960 4.340 -0.019 0.000 0.270 449 R C -2.053 174.309 176.300 0.104 0.000 1.021 449 R CA -0.809 55.347 56.100 0.093 0.000 0.889 449 R CB 0.979 31.326 30.300 0.080 0.000 1.243 449 R HN 0.184 nan 8.270 nan 0.000 0.464 450 V N 1.184 121.166 119.914 0.112 0.000 2.555 450 V HA 0.428 4.537 4.120 -0.019 0.000 0.302 450 V C -0.483 175.699 176.094 0.147 0.000 1.038 450 V CA -0.714 61.669 62.300 0.139 0.000 0.887 450 V CB 1.758 33.667 31.823 0.144 0.000 0.991 450 V HN 0.762 nan 8.190 nan 0.000 0.434 451 E N 2.305 122.600 120.200 0.159 0.000 2.222 451 E HA 0.435 4.774 4.350 -0.019 0.000 0.267 451 E C -0.942 175.752 176.600 0.157 0.000 0.884 451 E CA -0.637 55.841 56.400 0.130 0.000 0.764 451 E CB 2.775 32.520 29.700 0.077 0.000 1.169 451 E HN 0.731 nan 8.360 nan 0.000 0.413 452 E N 2.658 122.935 120.200 0.128 0.000 2.146 452 E HA 0.081 4.420 4.350 -0.019 0.000 0.282 452 E C -1.025 175.504 176.600 -0.118 0.000 0.989 452 E CA -0.293 56.102 56.400 -0.009 0.000 0.799 452 E CB 0.937 30.697 29.700 0.099 0.000 1.088 452 E HN 0.403 nan 8.360 nan 0.000 0.397 453 E N 4.307 124.361 120.200 -0.244 0.000 2.133 453 E HA 0.188 4.527 4.350 -0.019 0.000 0.274 453 E C -1.268 175.210 176.600 -0.204 0.000 0.930 453 E CA -0.786 55.512 56.400 -0.170 0.000 0.770 453 E CB 0.940 30.558 29.700 -0.137 0.000 1.104 453 E HN 0.405 nan 8.360 nan 0.000 0.403 454 D N 2.534 122.861 120.400 -0.122 0.000 2.342 454 D HA 0.270 4.899 4.640 -0.019 0.000 0.243 454 D C -0.521 175.750 176.300 -0.049 0.000 1.019 454 D CA -0.557 53.381 54.000 -0.103 0.000 0.864 454 D CB 2.158 42.912 40.800 -0.077 0.000 1.315 454 D HN 0.164 nan 8.370 nan 0.000 0.468 455 V N 1.219 121.107 119.914 -0.043 0.000 2.811 455 V HA 0.235 4.344 4.120 -0.019 0.000 0.302 455 V C 0.161 176.262 176.094 0.012 0.000 1.063 455 V CA -0.271 62.029 62.300 -0.001 0.000 1.088 455 V CB 1.475 33.272 31.823 -0.045 0.000 0.982 455 V HN 0.265 nan 8.190 nan 0.000 0.485 456 V N 5.796 125.747 119.914 0.061 0.000 2.407 456 V HA 0.443 4.551 4.120 -0.019 0.000 0.291 456 V C 0.175 176.321 176.094 0.086 0.000 1.018 456 V CA -0.787 61.545 62.300 0.054 0.000 0.842 456 V CB 1.550 33.402 31.823 0.048 0.000 0.996 456 V HN 0.809 nan 8.190 nan 0.000 0.426 457 R N 3.378 123.908 120.500 0.051 0.000 2.459 457 R HA 0.576 4.905 4.340 -0.019 0.000 0.281 457 R C -0.535 175.801 176.300 0.060 0.000 1.050 457 R CA -0.483 55.654 56.100 0.062 0.000 1.055 457 R CB 1.161 31.473 30.300 0.019 0.000 1.045 457 R HN 0.668 nan 8.270 nan 0.000 0.495 458 Q N 0.346 120.189 119.800 0.073 0.000 2.377 458 Q HA 0.296 4.625 4.340 -0.019 0.000 0.271 458 Q C -0.801 175.223 176.000 0.038 0.000 1.077 458 Q CA -0.683 55.151 55.803 0.050 0.000 0.820 458 Q CB 2.634 31.402 28.738 0.051 0.000 1.347 458 Q HN 0.464 nan 8.270 nan 0.000 0.444 459 T N 1.979 116.549 114.554 0.026 0.000 2.897 459 T HA 0.253 4.592 4.350 -0.019 0.000 0.294 459 T C 0.029 174.740 174.700 0.018 0.000 1.004 459 T CA -0.379 61.732 62.100 0.020 0.000 1.106 459 T CB 0.512 69.388 68.868 0.014 0.000 0.949 459 T HN 0.453 nan 8.240 nan 0.000 0.520 460 M N 2.877 122.487 119.600 0.017 0.000 2.238 460 M HA 0.448 4.917 4.480 -0.019 0.000 0.350 460 M C 0.483 176.789 176.300 0.010 0.000 1.321 460 M CA 0.817 56.125 55.300 0.014 0.000 1.097 460 M CB -0.420 32.188 32.600 0.014 0.000 1.713 460 M HN 0.919 nan 8.290 nan 0.000 0.455 461 G N 4.579 113.384 108.800 0.008 0.000 2.344 461 G HA2 0.210 4.159 3.960 -0.019 0.000 0.282 461 G HA3 0.210 4.159 3.960 -0.019 0.000 0.282 461 G C -3.330 171.572 174.900 0.004 0.000 1.281 461 G CA -1.004 44.099 45.100 0.006 0.000 0.877 461 G HN 0.469 nan 8.290 nan 0.000 0.494 462 P HA 0.288 nan 4.420 nan 0.000 0.264 462 P C 1.040 178.340 177.300 -0.000 0.000 1.193 462 P CA 1.986 65.086 63.100 0.001 0.000 0.763 462 P CB 0.810 32.510 31.700 0.001 0.000 0.810 463 G N 2.934 111.732 108.800 -0.002 0.000 2.217 463 G HA2 -0.264 3.685 3.960 -0.019 0.000 0.246 463 G HA3 -0.264 3.685 3.960 -0.019 0.000 0.246 463 G C 0.403 175.300 174.900 -0.005 0.000 0.990 463 G CA 0.345 45.442 45.100 -0.005 0.000 0.627 463 G HN 0.707 nan 8.290 nan 0.000 0.522 464 N N 0.138 118.837 118.700 -0.001 0.000 2.620 464 N HA 0.350 5.079 4.740 -0.019 0.000 0.277 464 N C 0.907 176.420 175.510 0.005 0.000 1.726 464 N CA 0.433 53.483 53.050 0.001 0.000 0.840 464 N CB 0.437 38.928 38.487 0.006 0.000 1.379 464 N HN 0.140 nan 8.380 nan 0.000 0.506 465 E N 0.073 120.275 120.200 0.003 0.000 2.209 465 E HA -0.036 4.302 4.350 -0.019 0.000 0.196 465 E C 1.180 177.784 176.600 0.006 0.000 0.993 465 E CA 1.211 57.614 56.400 0.004 0.000 0.819 465 E CB 0.115 29.816 29.700 0.002 0.000 0.745 465 E HN 0.400 nan 8.360 nan 0.000 0.477 466 R N -0.851 119.654 120.500 0.007 0.000 2.317 466 R HA 0.153 4.482 4.340 -0.019 0.000 0.208 466 R C 0.764 177.074 176.300 0.017 0.000 0.914 466 R CA 0.495 56.601 56.100 0.011 0.000 1.060 466 R CB 0.363 30.668 30.300 0.009 0.000 1.015 466 R HN 0.222 nan 8.270 nan 0.000 0.498 467 G N 2.247 111.058 108.800 0.019 0.000 2.273 467 G HA2 -0.348 3.601 3.960 -0.019 0.000 0.280 467 G HA3 -0.348 3.601 3.960 -0.019 0.000 0.280 467 G C 0.224 175.149 174.900 0.043 0.000 1.047 467 G CA 0.932 46.048 45.100 0.027 0.000 0.869 467 G HN 0.681 nan 8.290 nan 0.000 0.502 468 N N -1.028 117.699 118.700 0.044 0.000 2.294 468 N HA 0.516 5.245 4.740 -0.019 0.000 0.186 468 N C 1.240 176.808 175.510 0.096 0.000 1.107 468 N CA 0.618 53.710 53.050 0.070 0.000 0.884 468 N CB 0.360 38.874 38.487 0.046 0.000 1.030 468 N HN 0.850 nan 8.380 nan 0.000 0.482 469 A N 0.682 123.531 122.820 0.049 0.000 2.462 469 A HA 0.428 4.737 4.320 -0.019 0.000 0.243 469 A C -0.529 177.128 177.584 0.123 0.000 1.076 469 A CA -0.162 51.882 52.037 0.011 0.000 0.773 469 A CB -0.374 18.616 19.000 -0.017 0.000 1.010 469 A HN 0.504 nan 8.150 nan 0.000 0.493 470 F N 0.421 120.366 119.950 -0.008 0.000 2.631 470 F HA 0.806 5.323 4.527 -0.017 0.000 0.308 470 F C -0.295 175.499 175.800 -0.010 0.000 1.097 470 F CA -0.404 57.590 58.000 -0.009 0.000 0.952 470 F CB 0.985 39.979 39.000 -0.010 0.000 1.307 470 F HN 0.626 nan 8.300 nan 0.000 0.450 471 S N 1.209 117.049 115.700 0.232 0.000 3.359 471 S HA 0.899 5.358 4.470 -0.019 0.000 0.323 471 S C -1.411 173.282 174.600 0.155 0.000 1.143 471 S CA -0.584 57.675 58.200 0.098 0.000 0.989 471 S CB 1.457 64.671 63.200 0.024 0.000 1.375 471 S HN 1.166 nan 8.310 nan 0.000 0.728 472 R N 0.164 120.707 120.500 0.071 0.000 2.733 472 R HA 0.644 4.972 4.340 -0.019 0.000 0.272 472 R C -2.020 174.291 176.300 0.019 0.000 1.029 472 R CA -1.063 55.067 56.100 0.049 0.000 0.888 472 R CB 1.036 31.364 30.300 0.047 0.000 1.251 472 R HN 0.708 nan 8.270 nan 0.000 0.464 473 K N 1.033 121.434 120.400 0.003 0.000 2.508 473 K HA 0.596 4.905 4.320 -0.019 0.000 0.260 473 K C -1.191 175.402 176.600 -0.012 0.000 0.949 473 K CA -1.208 55.078 56.287 -0.001 0.000 0.834 473 K CB 2.786 35.287 32.500 0.001 0.000 1.365 473 K HN 0.607 nan 8.250 nan 0.000 0.437 474 R N 0.960 121.458 120.500 -0.003 0.000 2.561 474 R HA 0.381 4.710 4.340 -0.019 0.000 0.297 474 R C -1.161 175.148 176.300 0.015 0.000 0.969 474 R CA -0.918 55.182 56.100 0.000 0.000 0.879 474 R CB 2.545 32.849 30.300 0.007 0.000 1.178 474 R HN 0.654 nan 8.270 nan 0.000 0.445 475 T N 2.328 116.897 114.554 0.026 0.000 2.791 475 T HA 0.220 4.559 4.350 -0.019 0.000 0.288 475 T C -0.024 174.713 174.700 0.063 0.000 0.999 475 T CA -0.585 61.539 62.100 0.040 0.000 0.952 475 T CB 1.517 70.410 68.868 0.042 0.000 0.938 475 T HN 0.146 nan 8.240 nan 0.000 0.444 476 V N 5.283 125.232 119.914 0.057 0.000 2.555 476 V HA 0.202 4.311 4.120 -0.019 0.000 0.286 476 V C 0.387 176.525 176.094 0.073 0.000 1.044 476 V CA -0.463 61.878 62.300 0.068 0.000 1.026 476 V CB 0.384 32.241 31.823 0.056 0.000 0.981 476 V HN 0.717 nan 8.190 nan 0.000 0.480 477 L N 5.612 126.888 121.223 0.089 0.000 2.295 477 L HA 0.265 4.594 4.340 -0.019 0.000 0.288 477 L C 1.473 178.387 176.870 0.073 0.000 1.079 477 L CA -0.113 54.777 54.840 0.082 0.000 0.830 477 L CB 0.874 42.991 42.059 0.097 0.000 1.200 477 L HN 0.897 nan 8.230 nan 0.000 0.438 478 T N -0.629 113.961 114.554 0.060 0.000 3.051 478 T HA 0.179 4.518 4.350 -0.019 0.000 0.255 478 T C 0.938 175.671 174.700 0.055 0.000 1.085 478 T CA 0.036 62.170 62.100 0.056 0.000 1.109 478 T CB 0.354 69.249 68.868 0.046 0.000 0.921 478 T HN 0.331 nan 8.240 nan 0.000 0.488 479 R N 0.645 121.177 120.500 0.054 0.000 2.725 479 R HA 0.415 4.743 4.340 -0.019 0.000 0.277 479 R C 0.496 176.832 176.300 0.060 0.000 0.987 479 R CA -0.518 55.614 56.100 0.053 0.000 0.901 479 R CB 1.637 31.962 30.300 0.042 0.000 1.207 479 R HN 0.230 nan 8.270 nan 0.000 0.463 480 E N 0.413 120.655 120.200 0.070 0.000 2.171 480 E HA -0.203 4.136 4.350 -0.019 0.000 0.197 480 E C 1.351 177.991 176.600 0.067 0.000 0.997 480 E CA 2.052 58.503 56.400 0.085 0.000 0.810 480 E CB 0.161 29.920 29.700 0.099 0.000 0.738 480 E HN 0.622 nan 8.360 nan 0.000 0.467 481 S N 1.123 116.852 115.700 0.049 0.000 2.442 481 S HA -0.176 4.283 4.470 -0.019 0.000 0.236 481 S C 1.599 176.206 174.600 0.012 0.000 1.007 481 S CA 1.272 59.490 58.200 0.031 0.000 0.965 481 S CB -0.255 62.961 63.200 0.027 0.000 0.773 481 S HN 0.463 nan 8.310 nan 0.000 0.504 482 E N 0.318 120.530 120.200 0.019 0.000 2.558 482 E HA 0.512 4.851 4.350 -0.019 0.000 0.205 482 E C 0.746 177.351 176.600 0.009 0.000 1.006 482 E CA 0.140 56.547 56.400 0.011 0.000 0.961 482 E CB 0.389 30.104 29.700 0.024 0.000 1.044 482 E HN 0.498 nan 8.360 nan 0.000 0.465 483 A N 0.955 123.779 122.820 0.006 0.000 2.545 483 A HA 0.325 4.634 4.320 -0.019 0.000 0.277 483 A C 0.123 177.654 177.584 -0.087 0.000 1.301 483 A CA -0.274 51.767 52.037 0.005 0.000 0.935 483 A CB 0.338 19.378 19.000 0.067 0.000 1.093 483 A HN 0.115 nan 8.150 nan 0.000 0.519 484 V N 2.818 122.613 119.914 -0.198 0.000 2.294 484 V HA 0.391 4.500 4.120 -0.019 0.000 0.272 484 V C -0.425 175.446 176.094 -0.372 0.000 1.027 484 V CA -0.679 61.318 62.300 -0.504 0.000 0.823 484 V CB 0.514 31.951 31.823 -0.643 0.000 1.030 484 V HN 0.468 nan 8.190 nan 0.000 0.457 485 R N 3.190 123.480 120.500 -0.351 0.000 2.787 485 R HA 0.708 5.036 4.340 -0.019 0.000 0.271 485 R C -0.390 175.860 176.300 -0.085 0.000 0.993 485 R CA -0.705 55.320 56.100 -0.126 0.000 0.993 485 R CB 1.898 32.229 30.300 0.051 0.000 1.155 485 R HN 0.649 nan 8.270 nan 0.000 0.486 486 E N 0.438 120.692 120.200 0.090 0.000 2.235 486 E HA 0.596 4.935 4.350 -0.019 0.000 0.265 486 E C -0.610 176.188 176.600 0.331 0.000 0.940 486 E CA -1.033 55.447 56.400 0.133 0.000 0.819 486 E CB 2.002 31.743 29.700 0.069 0.000 1.206 486 E HN 0.622 nan 8.360 nan 0.000 0.409 487 A N 1.240 124.250 122.820 0.317 0.000 2.332 487 A HA 0.267 4.576 4.320 -0.019 0.000 0.258 487 A C -0.266 177.415 177.584 0.161 0.000 1.087 487 A CA -0.090 52.155 52.037 0.347 0.000 0.802 487 A CB 0.423 19.616 19.000 0.322 0.000 1.042 487 A HN 0.602 nan 8.150 nan 0.000 0.489 488 D N 0.243 120.688 120.400 0.076 0.000 2.527 488 D HA 0.406 5.035 4.640 -0.019 0.000 0.242 488 D C 0.723 177.019 176.300 -0.006 0.000 1.285 488 D CA 0.292 54.306 54.000 0.024 0.000 0.886 488 D CB 0.733 41.529 40.800 -0.006 0.000 1.402 488 D HN 0.473 nan 8.370 nan 0.000 0.528 489 A N 2.767 125.602 122.820 0.025 0.000 1.940 489 A HA -0.171 4.138 4.320 -0.019 0.000 0.219 489 A C 2.079 179.657 177.584 -0.010 0.000 1.176 489 A CA 1.284 53.331 52.037 0.017 0.000 0.631 489 A CB -0.229 18.797 19.000 0.043 0.000 0.814 489 A HN 0.496 nan 8.150 nan 0.000 0.446 490 R N -0.296 120.198 120.500 -0.010 0.000 2.127 490 R HA -0.137 4.192 4.340 -0.019 0.000 0.238 490 R C 1.615 177.890 176.300 -0.042 0.000 1.134 490 R CA 1.910 57.996 56.100 -0.023 0.000 0.975 490 R CB -0.316 29.975 30.300 -0.016 0.000 0.865 490 R HN 0.641 nan 8.270 nan 0.000 0.447 491 T N -3.618 110.908 114.554 -0.046 0.000 3.186 491 T HA 0.236 4.575 4.350 -0.019 0.000 0.257 491 T C 0.855 175.508 174.700 -0.079 0.000 1.029 491 T CA 0.205 62.268 62.100 -0.061 0.000 0.916 491 T CB 0.817 69.653 68.868 -0.055 0.000 1.041 491 T HN 0.348 nan 8.240 nan 0.000 0.562 492 G N 2.440 111.196 108.800 -0.073 0.000 2.305 492 G HA2 -0.347 3.602 3.960 -0.019 0.000 0.287 492 G HA3 -0.347 3.602 3.960 -0.019 0.000 0.287 492 G C 0.047 174.865 174.900 -0.137 0.000 1.036 492 G CA 0.238 45.293 45.100 -0.075 0.000 0.887 492 G HN 0.917 nan 8.290 nan 0.000 0.505 493 R N 0.553 120.934 120.500 -0.198 0.000 2.522 493 R HA 0.426 4.754 4.340 -0.019 0.000 0.284 493 R C 0.844 176.774 176.300 -0.617 0.000 1.032 493 R CA 0.977 56.840 56.100 -0.395 0.000 1.049 493 R CB 0.223 30.275 30.300 -0.413 0.000 0.956 493 R HN 0.469 nan 8.270 nan 0.000 0.422 494 T N 0.713 114.820 114.554 -0.744 0.000 2.838 494 T HA 0.533 4.872 4.350 -0.019 0.000 0.292 494 T C -1.015 173.152 174.700 -0.888 0.000 1.113 494 T CA -0.961 60.695 62.100 -0.739 0.000 1.008 494 T CB 1.247 69.852 68.868 -0.440 0.000 1.259 494 T HN 0.560 nan 8.240 nan 0.000 0.520 495 W N 0.624 121.865 121.300 -0.098 0.000 2.739 495 W HA 0.593 5.242 4.660 -0.018 0.000 0.331 495 W C -1.096 175.397 176.519 -0.042 0.000 1.049 495 W CA -1.191 56.124 57.345 -0.051 0.000 1.234 495 W CB 1.647 31.086 29.460 -0.036 0.000 1.404 495 W HN 0.586 nan 8.180 nan 0.000 0.477 496 I N 4.434 125.100 120.570 0.161 0.000 2.354 496 I HA 0.292 4.451 4.170 -0.019 0.000 0.292 496 I C -0.374 175.832 176.117 0.148 0.000 0.989 496 I CA -0.994 60.378 61.300 0.120 0.000 1.188 496 I CB 1.349 39.389 38.000 0.066 0.000 1.342 496 I HN 0.078 nan 8.210 nan 0.000 0.457 497 I N 6.157 126.820 120.570 0.156 0.000 2.312 497 I HA 0.278 4.437 4.170 -0.019 0.000 0.290 497 I C 0.367 176.573 176.117 0.148 0.000 1.008 497 I CA 0.317 61.703 61.300 0.143 0.000 1.226 497 I CB 1.304 39.382 38.000 0.129 0.000 1.371 497 I HN 0.599 nan 8.210 nan 0.000 0.468 498 S N 4.127 119.902 115.700 0.124 0.000 2.709 498 S HA 0.606 5.065 4.470 -0.019 0.000 0.302 498 S C -0.743 173.917 174.600 0.100 0.000 1.127 498 S CA -0.913 57.359 58.200 0.120 0.000 0.905 498 S CB 1.970 65.225 63.200 0.093 0.000 1.151 498 S HN 0.505 nan 8.310 nan 0.000 0.510 499 N N 1.685 120.435 118.700 0.084 0.000 2.524 499 N HA 0.377 5.106 4.740 -0.019 0.000 0.261 499 N C -2.108 173.425 175.510 0.038 0.000 0.998 499 N CA -2.260 50.826 53.050 0.059 0.000 0.915 499 N CB 1.760 40.274 38.487 0.046 0.000 1.187 499 N HN 0.390 nan 8.380 nan 0.000 0.507 500 P HA -0.039 nan 4.420 nan 0.000 0.230 500 P C 0.041 177.351 177.300 0.016 0.000 1.158 500 P CA 1.088 64.205 63.100 0.029 0.000 0.769 500 P CB 0.534 32.255 31.700 0.035 0.000 0.807 501 E N -0.909 119.300 120.200 0.014 0.000 2.481 501 E HA 0.127 4.466 4.350 -0.019 0.000 0.198 501 E C 0.275 176.868 176.600 -0.013 0.000 1.027 501 E CA -0.025 56.377 56.400 0.004 0.000 0.900 501 E CB 0.420 30.127 29.700 0.011 0.000 0.993 501 E HN 0.008 nan 8.360 nan 0.000 0.482 502 S N 1.291 116.978 115.700 -0.022 0.000 2.707 502 S HA 0.306 4.765 4.470 -0.019 0.000 0.312 502 S C -0.905 173.654 174.600 -0.068 0.000 1.116 502 S CA -0.706 57.462 58.200 -0.055 0.000 1.078 502 S CB 0.436 63.590 63.200 -0.076 0.000 0.997 502 S HN -0.037 nan 8.310 nan 0.000 0.477 503 K N 2.967 123.326 120.400 -0.068 0.000 2.208 503 K HA 0.418 4.726 4.320 -0.019 0.000 0.247 503 K C -0.023 176.522 176.600 -0.092 0.000 0.953 503 K CA -1.030 55.217 56.287 -0.067 0.000 0.837 503 K CB 0.985 33.461 32.500 -0.040 0.000 1.131 503 K HN 0.751 nan 8.250 nan 0.000 0.431 504 N N 0.462 119.109 118.700 -0.089 0.000 2.322 504 N HA 0.007 4.736 4.740 -0.019 0.000 0.270 504 N C 0.711 176.187 175.510 -0.057 0.000 1.286 504 N CA -0.432 52.562 53.050 -0.093 0.000 0.948 504 N CB 0.299 38.737 38.487 -0.081 0.000 1.164 504 N HN 0.580 nan 8.380 nan 0.000 0.551 505 R N -0.734 119.740 120.500 -0.044 0.000 2.293 505 R HA 0.010 4.339 4.340 -0.019 0.000 0.219 505 R C 0.519 176.805 176.300 -0.023 0.000 1.091 505 R CA 1.118 57.200 56.100 -0.029 0.000 1.004 505 R CB -0.701 29.587 30.300 -0.020 0.000 0.865 505 R HN 0.567 nan 8.270 nan 0.000 0.469 506 L N 1.071 122.280 121.223 -0.022 0.000 2.685 506 L HA 0.168 4.497 4.340 -0.019 0.000 0.233 506 L C 0.283 177.143 176.870 -0.017 0.000 1.173 506 L CA -0.048 54.782 54.840 -0.017 0.000 0.961 506 L CB -0.599 41.452 42.059 -0.013 0.000 1.217 506 L HN 0.456 nan 8.230 nan 0.000 0.478 507 N N 1.044 119.731 118.700 -0.022 0.000 2.776 507 N HA -0.160 4.569 4.740 -0.019 0.000 0.250 507 N C -0.291 175.208 175.510 -0.017 0.000 1.112 507 N CA 0.220 53.258 53.050 -0.020 0.000 0.733 507 N CB -0.011 38.467 38.487 -0.015 0.000 1.097 507 N HN 0.357 nan 8.380 nan 0.000 0.558 508 E N 0.368 120.556 120.200 -0.020 0.000 2.183 508 E HA 0.385 4.724 4.350 -0.019 0.000 0.271 508 E C -2.506 174.084 176.600 -0.018 0.000 0.919 508 E CA -1.700 54.692 56.400 -0.013 0.000 0.781 508 E CB 1.571 31.266 29.700 -0.009 0.000 1.140 508 E HN 0.134 nan 8.360 nan 0.000 0.402 509 P HA -0.067 nan 4.420 nan 0.000 0.264 509 P C -0.086 177.217 177.300 0.004 0.000 1.193 509 P CA -0.044 63.055 63.100 -0.001 0.000 0.763 509 P CB 0.371 32.082 31.700 0.018 0.000 0.810 510 V N 1.806 121.710 119.914 -0.017 0.000 2.843 510 V HA 0.732 4.841 4.120 -0.019 0.000 0.305 510 V C 0.581 176.763 176.094 0.148 0.000 1.065 510 V CA 0.221 62.523 62.300 0.004 0.000 1.116 510 V CB 0.319 32.038 31.823 -0.174 0.000 0.968 510 V HN 0.730 nan 8.190 nan 0.000 0.487 511 G N 2.208 111.147 108.800 0.232 0.000 2.649 511 G HA2 0.607 4.556 3.960 -0.019 0.000 0.290 511 G HA3 0.607 4.556 3.960 -0.019 0.000 0.290 511 G C -2.327 172.710 174.900 0.228 0.000 1.426 511 G CA -0.743 44.503 45.100 0.244 0.000 0.794 511 G HN 0.730 nan 8.290 nan 0.000 0.483 512 Y N -0.057 120.276 120.300 0.054 0.000 2.442 512 Y HA 0.591 5.130 4.550 -0.018 0.000 0.344 512 Y C 0.103 176.031 175.900 0.047 0.000 0.976 512 Y CA -0.799 57.315 58.100 0.023 0.000 1.040 512 Y CB 2.742 41.184 38.460 -0.030 0.000 1.228 512 Y HN 0.496 nan 8.280 nan 0.000 0.451 513 K N 4.319 124.777 120.400 0.096 0.000 2.235 513 K HA 0.501 4.809 4.320 -0.019 0.000 0.266 513 K C -1.553 175.062 176.600 0.024 0.000 0.980 513 K CA -0.844 55.452 56.287 0.015 0.000 0.849 513 K CB 0.897 33.340 32.500 -0.095 0.000 1.098 513 K HN 0.635 nan 8.250 nan 0.000 0.445 514 L N 5.603 126.846 121.223 0.034 0.000 2.281 514 L HA 0.241 4.569 4.340 -0.019 0.000 0.285 514 L C -1.076 175.775 176.870 -0.032 0.000 1.074 514 L CA 0.148 55.045 54.840 0.095 0.000 0.817 514 L CB 0.481 42.615 42.059 0.125 0.000 1.168 514 L HN 0.638 nan 8.230 nan 0.000 0.434 515 H N 5.434 124.611 119.070 0.179 0.000 2.581 515 H HA 0.567 5.111 4.556 -0.019 0.000 0.308 515 H C -0.295 175.168 175.328 0.226 0.000 1.040 515 H CA -0.324 55.823 56.048 0.165 0.000 1.231 515 H CB 1.441 31.288 29.762 0.141 0.000 1.396 515 H HN 0.852 nan 8.280 nan 0.000 0.467 516 A N 2.630 125.646 122.820 0.327 0.000 2.264 516 A HA 0.219 4.527 4.320 -0.019 0.000 0.304 516 A C 0.589 178.463 177.584 0.484 0.000 1.100 516 A CA -0.529 51.744 52.037 0.393 0.000 0.839 516 A CB 0.545 19.819 19.000 0.456 0.000 1.121 516 A HN 0.910 nan 8.150 nan 0.000 0.496 517 H N 0.646 119.899 119.070 0.306 0.000 2.548 517 H HA -0.001 4.544 4.556 -0.019 0.000 0.268 517 H C -0.134 175.313 175.328 0.197 0.000 0.975 517 H CA 0.269 56.446 56.048 0.215 0.000 1.195 517 H CB 0.180 30.061 29.762 0.199 0.000 1.397 517 H HN 0.748 nan 8.280 nan 0.000 0.572 518 N N 1.972 120.893 118.700 0.369 0.000 2.740 518 N HA -0.165 4.564 4.740 -0.019 0.000 0.248 518 N C -0.602 175.038 175.510 0.216 0.000 1.062 518 N CA 0.546 53.759 53.050 0.272 0.000 0.704 518 N CB -0.898 37.708 38.487 0.199 0.000 0.968 518 N HN 0.525 nan 8.380 nan 0.000 0.547 519 Q N -0.147 119.796 119.800 0.239 0.000 2.317 519 Q HA 0.374 4.702 4.340 -0.019 0.000 0.229 519 Q C -1.857 174.222 176.000 0.132 0.000 0.984 519 Q CA -1.114 54.795 55.803 0.176 0.000 0.911 519 Q CB 0.273 29.127 28.738 0.193 0.000 1.217 519 Q HN 0.118 nan 8.270 nan 0.000 0.501 520 P HA -0.017 nan 4.420 nan 0.000 0.267 520 P C -0.248 177.071 177.300 0.032 0.000 1.200 520 P CA 0.294 63.428 63.100 0.056 0.000 0.772 520 P CB 0.469 32.191 31.700 0.036 0.000 0.855 521 T N 0.160 114.725 114.554 0.018 0.000 2.891 521 T HA 0.328 4.666 4.350 -0.019 0.000 0.294 521 T C 0.271 174.931 174.700 -0.066 0.000 1.065 521 T CA -0.925 61.164 62.100 -0.019 0.000 0.936 521 T CB 0.063 68.931 68.868 0.000 0.000 1.415 521 T HN 0.180 nan 8.240 nan 0.000 0.572 522 L N 0.998 122.153 121.223 -0.114 0.000 2.601 522 L HA 0.125 4.454 4.340 -0.019 0.000 0.277 522 L C 0.797 177.619 176.870 -0.080 0.000 1.219 522 L CA 0.283 55.041 54.840 -0.136 0.000 0.915 522 L CB -0.465 41.485 42.059 -0.182 0.000 1.160 522 L HN 0.642 nan 8.230 nan 0.000 0.494 523 L N 5.038 126.217 121.223 -0.074 0.000 2.477 523 L HA 0.232 4.560 4.340 -0.019 0.000 0.220 523 L C 1.399 178.259 176.870 -0.017 0.000 1.106 523 L CA 0.179 54.999 54.840 -0.033 0.000 0.851 523 L CB -0.511 41.534 42.059 -0.023 0.000 0.994 523 L HN 0.839 nan 8.230 nan 0.000 0.462 524 A N 0.684 123.487 122.820 -0.029 0.000 2.547 524 A HA -0.096 4.213 4.320 -0.019 0.000 0.233 524 A C 0.289 177.874 177.584 0.001 0.000 1.067 524 A CA -0.071 51.962 52.037 -0.007 0.000 0.763 524 A CB -0.036 18.958 19.000 -0.010 0.000 1.007 524 A HN 0.272 nan 8.150 nan 0.000 0.506 525 D N 2.069 122.479 120.400 0.016 0.000 2.488 525 D HA 0.027 4.656 4.640 -0.019 0.000 0.238 525 D C -1.211 175.095 176.300 0.009 0.000 1.138 525 D CA -0.925 53.085 54.000 0.016 0.000 0.873 525 D CB 0.882 41.697 40.800 0.025 0.000 1.183 525 D HN 0.279 nan 8.370 nan 0.000 0.458 526 P HA -0.079 nan 4.420 nan 0.000 0.223 526 P C 0.959 178.259 177.300 0.001 0.000 1.144 526 P CA 0.746 63.846 63.100 0.000 0.000 0.783 526 P CB 0.136 31.836 31.700 -0.000 0.000 0.771 527 G N -0.149 108.655 108.800 0.007 0.000 3.088 527 G HA2 0.038 3.987 3.960 -0.019 0.000 0.217 527 G HA3 0.038 3.987 3.960 -0.019 0.000 0.217 527 G C 0.599 175.507 174.900 0.012 0.000 1.159 527 G CA 0.108 45.212 45.100 0.005 0.000 0.760 527 G HN 0.426 nan 8.290 nan 0.000 0.550 528 S N -0.440 115.274 115.700 0.022 0.000 2.593 528 S HA 0.282 4.740 4.470 -0.019 0.000 0.269 528 S C 1.574 176.187 174.600 0.021 0.000 1.334 528 S CA 0.462 58.689 58.200 0.046 0.000 1.015 528 S CB 1.687 64.925 63.200 0.063 0.000 0.912 528 S HN 0.067 nan 8.310 nan 0.000 0.541 529 S N 0.888 116.606 115.700 0.030 0.000 2.368 529 S HA -0.120 4.339 4.470 -0.019 0.000 0.225 529 S C 1.659 176.235 174.600 -0.040 0.000 1.030 529 S CA 0.941 59.090 58.200 -0.085 0.000 0.999 529 S CB -0.641 62.370 63.200 -0.314 0.000 0.844 529 S HN 0.716 nan 8.310 nan 0.000 0.459 530 I N 1.814 122.412 120.570 0.047 0.000 2.315 530 I HA -0.055 4.104 4.170 -0.019 0.000 0.248 530 I C 2.378 178.507 176.117 0.021 0.000 1.117 530 I CA 1.515 62.858 61.300 0.072 0.000 1.404 530 I CB -1.485 36.566 38.000 0.085 0.000 1.071 530 I HN 0.386 nan 8.210 nan 0.000 0.419 531 A N 1.032 123.850 122.820 -0.003 0.000 1.972 531 A HA -0.189 4.120 4.320 -0.019 0.000 0.219 531 A C 2.373 179.943 177.584 -0.025 0.000 1.169 531 A CA 1.208 53.229 52.037 -0.027 0.000 0.635 531 A CB -0.476 18.515 19.000 -0.017 0.000 0.810 531 A HN 0.447 nan 8.150 nan 0.000 0.446 532 R N -0.915 119.569 120.500 -0.027 0.000 2.062 532 R HA 0.034 4.363 4.340 -0.019 0.000 0.226 532 R C 2.361 178.635 176.300 -0.045 0.000 1.125 532 R CA 1.144 57.216 56.100 -0.046 0.000 0.966 532 R CB -0.258 29.997 30.300 -0.076 0.000 0.861 532 R HN 0.440 nan 8.270 nan 0.000 0.433 533 R N 0.355 120.843 120.500 -0.019 0.000 2.148 533 R HA 0.033 4.361 4.340 -0.019 0.000 0.223 533 R C 1.031 177.444 176.300 0.189 0.000 1.088 533 R CA 1.159 57.270 56.100 0.018 0.000 0.985 533 R CB 0.141 30.460 30.300 0.032 0.000 0.880 533 R HN 0.084 nan 8.270 nan 0.000 0.451 534 A N 0.182 123.114 122.820 0.186 0.000 2.911 534 A HA 0.487 4.795 4.320 -0.019 0.000 0.304 534 A C 1.271 178.749 177.584 -0.176 0.000 1.144 534 A CA 0.005 52.117 52.037 0.124 0.000 0.988 534 A CB 0.224 19.183 19.000 -0.070 0.000 1.141 534 A HN 0.246 nan 8.150 nan 0.000 0.552 535 A N 0.414 123.213 122.820 -0.034 0.000 1.948 535 A HA -0.106 4.203 4.320 -0.019 0.000 0.220 535 A C 1.815 179.389 177.584 -0.017 0.000 1.177 535 A CA 1.916 53.936 52.037 -0.028 0.000 0.636 535 A CB -0.975 18.023 19.000 -0.004 0.000 0.815 535 A HN 1.359 nan 8.150 nan 0.000 0.449 536 F N -0.155 119.684 119.950 -0.186 0.000 2.202 536 F HA 0.015 4.531 4.527 -0.019 0.000 0.301 536 F C 2.068 177.941 175.800 0.122 0.000 1.082 536 F CA 0.795 58.610 58.000 -0.307 0.000 1.313 536 F CB -0.994 37.708 39.000 -0.496 0.000 1.024 536 F HN 0.153 nan 8.300 nan 0.000 0.495 537 A N 0.504 122.603 122.820 -1.200 0.000 2.209 537 A HA -0.037 4.272 4.320 -0.019 0.000 0.212 537 A C 2.123 179.556 177.584 -0.253 0.000 1.158 537 A CA 1.438 52.987 52.037 -0.814 0.000 0.742 537 A CB -1.522 16.853 19.000 -1.043 0.000 0.790 537 A HN 0.597 nan 8.150 nan 0.000 0.472 538 T N -3.605 110.899 114.554 -0.083 0.000 3.081 538 T HA 0.183 4.522 4.350 -0.019 0.000 0.255 538 T C 0.646 175.365 174.700 0.031 0.000 1.113 538 T CA 0.255 62.349 62.100 -0.009 0.000 1.082 538 T CB 0.107 68.984 68.868 0.015 0.000 0.939 538 T HN 0.120 nan 8.240 nan 0.000 0.506 539 K N 1.020 121.491 120.400 0.119 0.000 2.426 539 K HA 0.379 4.688 4.320 -0.019 0.000 0.251 539 K C -0.480 176.173 176.600 0.088 0.000 0.941 539 K CA -0.453 55.819 56.287 -0.026 0.000 0.808 539 K CB 2.207 34.442 32.500 -0.443 0.000 1.265 539 K HN -0.044 nan 8.250 nan 0.000 0.432 540 D N 0.417 120.833 120.400 0.026 0.000 2.149 540 D HA -0.047 4.582 4.640 -0.019 0.000 0.201 540 D C 0.047 176.394 176.300 0.078 0.000 0.972 540 D CA 0.895 54.961 54.000 0.111 0.000 0.835 540 D CB 0.271 41.184 40.800 0.189 0.000 0.966 540 D HN 0.117 nan 8.370 nan 0.000 0.476 541 L N -0.389 120.713 121.223 -0.201 0.000 2.431 541 L HA 0.472 4.801 4.340 -0.019 0.000 0.266 541 L C -1.991 174.745 176.870 -0.223 0.000 0.978 541 L CA -0.616 54.066 54.840 -0.264 0.000 0.822 541 L CB 1.535 42.991 42.059 -1.005 0.000 1.310 541 L HN -0.116 nan 8.230 nan 0.000 0.409 542 W N 4.191 125.476 121.300 -0.026 0.000 2.915 542 W HA 0.752 5.401 4.660 -0.019 0.000 0.337 542 W C -1.224 175.394 176.519 0.165 0.000 1.102 542 W CA -0.812 56.555 57.345 0.037 0.000 1.224 542 W CB 2.022 31.482 29.460 0.001 0.000 1.416 542 W HN 0.162 nan 8.180 nan 0.000 0.503 543 V N 2.752 122.872 119.914 0.343 0.000 2.531 543 V HA 0.713 4.822 4.120 -0.019 0.000 0.301 543 V C -0.047 176.235 176.094 0.314 0.000 1.034 543 V CA -0.797 61.692 62.300 0.315 0.000 0.865 543 V CB 1.362 33.287 31.823 0.170 0.000 0.995 543 V HN 0.589 nan 8.190 nan 0.000 0.424 544 T N 1.609 116.398 114.554 0.391 0.000 2.930 544 T HA 0.758 5.097 4.350 -0.019 0.000 0.290 544 T C -0.459 174.374 174.700 0.221 0.000 1.052 544 T CA -0.966 61.313 62.100 0.299 0.000 1.017 544 T CB 2.150 71.234 68.868 0.360 0.000 1.137 544 T HN 0.513 nan 8.240 nan 0.000 0.511 545 R N 0.819 121.403 120.500 0.140 0.000 2.340 545 R HA 0.345 4.674 4.340 -0.019 0.000 0.300 545 R C -0.875 175.468 176.300 0.071 0.000 1.069 545 R CA -0.932 55.230 56.100 0.104 0.000 0.984 545 R CB -0.492 29.846 30.300 0.065 0.000 1.003 545 R HN 0.775 nan 8.270 nan 0.000 0.459 546 Y N 3.160 123.454 120.300 -0.009 0.000 2.712 546 Y HA 0.292 4.831 4.550 -0.019 0.000 0.333 546 Y C -0.749 175.097 175.900 -0.091 0.000 1.225 546 Y CA 0.932 58.995 58.100 -0.062 0.000 1.499 546 Y CB 0.432 38.818 38.460 -0.124 0.000 1.288 546 Y HN 0.747 nan 8.280 nan 0.000 0.575 547 A N 5.342 127.435 122.820 -1.212 0.000 2.517 547 A HA 0.298 4.607 4.320 -0.019 0.000 0.297 547 A C 0.185 177.143 177.584 -1.043 0.000 1.050 547 A CA -0.591 50.923 52.037 -0.871 0.000 0.694 547 A CB 0.921 19.636 19.000 -0.475 0.000 1.277 547 A HN 0.778 nan 8.150 nan 0.000 0.400 548 D N 1.117 121.161 120.400 -0.594 0.000 2.158 548 D HA -0.170 4.459 4.640 -0.019 0.000 0.197 548 D C 0.846 176.979 176.300 -0.278 0.000 0.995 548 D CA 2.218 56.034 54.000 -0.307 0.000 0.846 548 D CB 0.059 40.802 40.800 -0.095 0.000 0.941 548 D HN 0.768 nan 8.370 nan 0.000 0.456 549 D N 0.090 120.322 120.400 -0.280 0.000 2.328 549 D HA -0.043 4.585 4.640 -0.019 0.000 0.221 549 D C -0.067 176.043 176.300 -0.317 0.000 1.072 549 D CA 0.048 53.912 54.000 -0.228 0.000 0.850 549 D CB -0.565 40.150 40.800 -0.142 0.000 0.922 549 D HN 0.150 nan 8.370 nan 0.000 0.516 550 E N 0.721 120.633 120.200 -0.478 0.000 2.136 550 E HA 0.308 4.647 4.350 -0.019 0.000 0.246 550 E C 0.498 176.926 176.600 -0.287 0.000 1.017 550 E CA -0.274 55.723 56.400 -0.672 0.000 0.883 550 E CB 0.913 29.959 29.700 -1.091 0.000 1.199 550 E HN 0.175 nan 8.360 nan 0.000 0.447 551 R N 0.982 121.305 120.500 -0.295 0.000 2.123 551 R HA 0.110 4.438 4.340 -0.019 0.000 0.209 551 R C 0.021 176.020 176.300 -0.502 0.000 1.078 551 R CA 0.670 56.435 56.100 -0.557 0.000 1.028 551 R CB 0.345 29.973 30.300 -1.119 0.000 0.939 551 R HN 0.264 nan 8.270 nan 0.000 0.463 552 Y N 0.241 120.672 120.300 0.220 0.000 2.485 552 Y HA 0.307 4.846 4.550 -0.019 0.000 0.345 552 Y C -1.777 174.135 175.900 0.021 0.000 0.998 552 Y CA -3.220 54.975 58.100 0.160 0.000 1.059 552 Y CB 1.132 39.567 38.460 -0.041 0.000 1.234 552 Y HN -0.182 nan 8.280 nan 0.000 0.461 553 P HA -0.093 nan 4.420 nan 0.000 0.230 553 P C 0.618 177.659 177.300 -0.432 0.000 1.158 553 P CA 1.462 64.240 63.100 -0.537 0.000 0.769 553 P CB 0.139 31.430 31.700 -0.680 0.000 0.807 554 T N -4.780 109.635 114.554 -0.232 0.000 3.085 554 T HA 0.508 4.847 4.350 -0.019 0.000 0.264 554 T C 0.888 175.523 174.700 -0.108 0.000 1.019 554 T CA 0.076 62.085 62.100 -0.150 0.000 0.910 554 T CB -0.120 68.679 68.868 -0.116 0.000 1.059 554 T HN 0.328 nan 8.240 nan 0.000 0.542 555 G N 1.572 110.344 108.800 -0.047 0.000 2.796 555 G HA2 -0.177 3.772 3.960 -0.019 0.000 0.571 555 G HA3 -0.177 3.772 3.960 -0.019 0.000 0.571 555 G C -0.144 174.747 174.900 -0.016 0.000 1.370 555 G CA -0.147 44.955 45.100 0.003 0.000 0.856 555 G HN 0.181 nan 8.290 nan 0.000 0.538 556 D N -0.532 119.763 120.400 -0.176 0.000 2.183 556 D HA 0.059 4.688 4.640 -0.019 0.000 0.203 556 D C 0.918 176.646 176.300 -0.953 0.000 0.969 556 D CA 1.508 55.182 54.000 -0.543 0.000 0.842 556 D CB -0.052 40.183 40.800 -0.942 0.000 0.957 556 D HN 0.247 nan 8.370 nan 0.000 0.484 557 F N 0.051 119.835 119.950 -0.278 0.000 2.430 557 F HA 0.238 4.754 4.527 -0.018 0.000 0.362 557 F C 1.032 176.653 175.800 -0.299 0.000 1.103 557 F CA -0.685 57.110 58.000 -0.341 0.000 1.045 557 F CB 1.583 40.317 39.000 -0.444 0.000 1.276 557 F HN -0.366 nan 8.300 nan 0.000 0.444 558 V N 0.371 120.200 119.914 -0.142 0.000 2.685 558 V HA -0.073 4.035 4.120 -0.019 0.000 0.244 558 V C 1.037 177.018 176.094 -0.189 0.000 1.054 558 V CA 0.324 62.484 62.300 -0.232 0.000 1.076 558 V CB -0.450 31.111 31.823 -0.436 0.000 0.725 558 V HN 0.675 nan 8.190 nan 0.000 0.467 559 N N 1.652 120.283 118.700 -0.115 0.000 2.374 559 N HA -0.068 4.661 4.740 -0.019 0.000 0.269 559 N C 0.489 175.976 175.510 -0.037 0.000 1.310 559 N CA 0.743 53.749 53.050 -0.074 0.000 0.877 559 N CB -0.261 38.190 38.487 -0.060 0.000 1.096 559 N HN 0.429 nan 8.380 nan 0.000 0.484 560 Q N 0.277 120.057 119.800 -0.033 0.000 2.457 560 Q HA -0.312 4.017 4.340 -0.019 0.000 0.283 560 Q C -0.865 175.134 176.000 -0.001 0.000 1.234 560 Q CA 0.906 56.694 55.803 -0.026 0.000 0.877 560 Q CB -1.629 27.096 28.738 -0.022 0.000 1.250 560 Q HN 0.711 nan 8.270 nan 0.000 0.481 561 H N -0.163 118.824 119.070 -0.139 0.000 2.466 561 H HA 0.420 4.965 4.556 -0.019 0.000 0.338 561 H C 0.346 175.585 175.328 -0.148 0.000 1.091 561 H CA 0.080 56.049 56.048 -0.132 0.000 1.207 561 H CB 1.123 30.813 29.762 -0.120 0.000 1.466 561 H HN 0.297 nan 8.280 nan 0.000 0.493 562 S N 3.039 118.366 115.700 -0.622 0.000 2.633 562 S HA 0.291 4.750 4.470 -0.019 0.000 0.257 562 S C 0.900 175.106 174.600 -0.656 0.000 1.265 562 S CA -0.288 57.601 58.200 -0.518 0.000 0.980 562 S CB 0.788 63.774 63.200 -0.357 0.000 1.017 562 S HN 0.723 nan 8.310 nan 0.000 0.577 563 G N -1.648 106.933 108.800 -0.365 0.000 2.634 563 G HA2 0.485 4.434 3.960 -0.019 0.000 0.255 563 G HA3 0.485 4.434 3.960 -0.019 0.000 0.255 563 G C 0.841 175.583 174.900 -0.263 0.000 1.205 563 G CA -0.310 44.629 45.100 -0.268 0.000 0.884 563 G HN 1.909 nan 8.290 nan 0.000 0.549 564 G N -1.737 106.965 108.800 -0.163 0.000 2.624 564 G HA2 0.354 4.303 3.960 -0.019 0.000 0.190 564 G HA3 0.354 4.303 3.960 -0.019 0.000 0.190 564 G C 0.364 175.236 174.900 -0.047 0.000 1.008 564 G CA 0.686 45.731 45.100 -0.091 0.000 0.731 564 G HN 1.759 nan 8.290 nan 0.000 0.478 565 A N -0.401 122.402 122.820 -0.028 0.000 2.392 565 A HA 1.090 5.399 4.320 -0.019 0.000 0.283 565 A C 1.290 178.690 177.584 -0.307 0.000 1.197 565 A CA 0.904 52.898 52.037 -0.071 0.000 0.895 565 A CB 0.761 19.816 19.000 0.092 0.000 1.400 565 A HN 2.278 nan 8.150 nan 0.000 0.461 566 G N -1.727 106.741 108.800 -0.553 0.000 2.642 566 G HA2 -0.117 3.832 3.960 -0.019 0.000 0.231 566 G HA3 -0.117 3.832 3.960 -0.019 0.000 0.231 566 G C 0.714 174.673 174.900 -1.568 0.000 1.338 566 G CA 0.039 44.564 45.100 -0.958 0.000 0.883 566 G HN 1.242 nan 8.290 nan 0.000 0.570 567 L N 1.050 121.514 121.223 -1.265 0.000 2.021 567 L HA -0.139 4.190 4.340 -0.019 0.000 0.215 567 L C 0.359 176.851 176.870 -0.630 0.000 1.074 567 L CA 2.832 57.009 54.840 -1.105 0.000 0.760 567 L CB -1.267 39.916 42.059 -1.459 0.000 0.889 567 L HN 0.469 nan 8.230 nan 0.000 0.433 568 P HA -0.173 nan 4.420 nan 0.000 0.216 568 P C 1.792 179.016 177.300 -0.128 0.000 1.150 568 P CA 1.904 64.931 63.100 -0.122 0.000 0.837 568 P CB -0.039 31.611 31.700 -0.084 0.000 0.786 569 S N -2.431 113.115 115.700 -0.256 0.000 2.395 569 S HA -0.161 4.298 4.470 -0.019 0.000 0.225 569 S C 1.860 176.456 174.600 -0.007 0.000 1.027 569 S CA 0.798 58.917 58.200 -0.134 0.000 0.965 569 S CB -1.591 61.523 63.200 -0.143 0.000 0.812 569 S HN 0.009 nan 8.310 nan 0.000 0.482 570 Y N 2.270 122.502 120.300 -0.113 0.000 2.114 570 Y HA 0.088 4.627 4.550 -0.019 0.000 0.284 570 Y C 2.557 178.431 175.900 -0.043 0.000 1.143 570 Y CA -0.436 57.602 58.100 -0.103 0.000 1.135 570 Y CB -1.133 37.216 38.460 -0.185 0.000 0.980 570 Y HN 0.194 nan 8.280 nan 0.000 0.499 571 I N 0.258 120.909 120.570 0.134 0.000 2.315 571 I HA -0.294 3.865 4.170 -0.019 0.000 0.251 571 I C 2.486 178.658 176.117 0.090 0.000 1.125 571 I CA 1.450 62.828 61.300 0.130 0.000 1.392 571 I CB -1.701 36.409 38.000 0.184 0.000 1.065 571 I HN 0.157 nan 8.210 nan 0.000 0.424 572 A N 0.307 123.167 122.820 0.068 0.000 2.024 572 A HA -0.239 4.070 4.320 -0.019 0.000 0.220 572 A C 2.152 179.763 177.584 0.045 0.000 1.164 572 A CA 1.341 53.406 52.037 0.047 0.000 0.643 572 A CB -0.635 18.383 19.000 0.031 0.000 0.806 572 A HN 0.569 nan 8.150 nan 0.000 0.451 573 Q N -1.333 118.500 119.800 0.055 0.000 2.364 573 Q HA -0.097 4.232 4.340 -0.019 0.000 0.207 573 Q C 0.157 176.182 176.000 0.041 0.000 0.970 573 Q CA 0.499 56.328 55.803 0.043 0.000 0.888 573 Q CB -0.141 28.622 28.738 0.042 0.000 0.951 573 Q HN 0.626 nan 8.270 nan 0.000 0.469 574 D N 0.875 121.305 120.400 0.050 0.000 2.686 574 D HA -0.178 4.450 4.640 -0.019 0.000 0.235 574 D C -0.917 175.410 176.300 0.045 0.000 1.160 574 D CA 0.590 54.618 54.000 0.047 0.000 0.645 574 D CB -0.521 40.301 40.800 0.037 0.000 1.039 574 D HN 0.220 nan 8.370 nan 0.000 0.423 575 R N 0.443 120.973 120.500 0.050 0.000 2.615 575 R HA 0.306 4.635 4.340 -0.019 0.000 0.270 575 R C 0.251 176.582 176.300 0.052 0.000 1.081 575 R CA -0.584 55.543 56.100 0.045 0.000 1.154 575 R CB 0.416 30.742 30.300 0.042 0.000 1.063 575 R HN 0.173 nan 8.270 nan 0.000 0.519 576 D N 2.060 122.488 120.400 0.047 0.000 2.383 576 D HA 0.020 4.649 4.640 -0.019 0.000 0.252 576 D C 0.448 176.785 176.300 0.062 0.000 1.166 576 D CA 0.019 54.049 54.000 0.050 0.000 0.879 576 D CB 0.557 41.383 40.800 0.042 0.000 1.164 576 D HN 0.551 nan 8.370 nan 0.000 0.462 577 I N -0.155 120.456 120.570 0.069 0.000 3.966 577 I HA 0.340 4.499 4.170 -0.019 0.000 0.324 577 I C 0.066 176.230 176.117 0.079 0.000 1.517 577 I CA -0.529 60.821 61.300 0.082 0.000 1.117 577 I CB 0.502 38.561 38.000 0.098 0.000 1.190 577 I HN 0.061 nan 8.210 nan 0.000 0.466 578 D N 2.827 123.268 120.400 0.067 0.000 2.500 578 D HA 0.399 5.027 4.640 -0.019 0.000 0.219 578 D C 1.051 177.387 176.300 0.060 0.000 1.137 578 D CA 0.408 54.445 54.000 0.063 0.000 0.946 578 D CB 0.449 41.281 40.800 0.053 0.000 1.022 578 D HN 0.548 nan 8.370 nan 0.000 0.518 579 G N 3.076 111.917 108.800 0.068 0.000 2.325 579 G HA2 -0.171 3.778 3.960 -0.019 0.000 0.248 579 G HA3 -0.171 3.778 3.960 -0.019 0.000 0.248 579 G C -0.122 174.820 174.900 0.070 0.000 1.108 579 G CA -0.353 44.786 45.100 0.066 0.000 0.881 579 G HN 0.468 nan 8.290 nan 0.000 0.494 580 Q N -0.760 119.089 119.800 0.083 0.000 2.687 580 Q HA 0.383 4.712 4.340 -0.019 0.000 0.305 580 Q C -1.051 175.013 176.000 0.107 0.000 1.006 580 Q CA -0.905 54.949 55.803 0.084 0.000 0.763 580 Q CB 0.970 29.752 28.738 0.073 0.000 1.506 580 Q HN 0.221 nan 8.270 nan 0.000 0.459 581 D N 1.732 122.185 120.400 0.089 0.000 2.359 581 D HA 0.317 4.946 4.640 -0.019 0.000 0.250 581 D C -0.606 175.767 176.300 0.122 0.000 1.264 581 D CA -0.069 53.978 54.000 0.078 0.000 0.911 581 D CB -0.337 40.402 40.800 -0.103 0.000 1.056 581 D HN 0.350 nan 8.370 nan 0.000 0.499 582 I N 0.802 121.459 120.570 0.145 0.000 2.910 582 I HA 0.632 4.791 4.170 -0.019 0.000 0.310 582 I C -0.884 175.311 176.117 0.130 0.000 1.043 582 I CA -1.039 60.350 61.300 0.148 0.000 1.053 582 I CB 1.954 40.035 38.000 0.134 0.000 1.242 582 I HN -0.042 nan 8.210 nan 0.000 0.452 583 V N 3.492 123.482 119.914 0.127 0.000 2.577 583 V HA 0.532 4.641 4.120 -0.019 0.000 0.303 583 V C -0.385 175.708 176.094 -0.001 0.000 1.042 583 V CA -0.727 61.565 62.300 -0.012 0.000 0.872 583 V CB 1.698 33.461 31.823 -0.099 0.000 0.998 583 V HN 0.643 nan 8.190 nan 0.000 0.423 584 V N 3.708 123.554 119.914 -0.115 0.000 2.427 584 V HA 0.457 4.565 4.120 -0.019 0.000 0.286 584 V C -1.080 174.951 176.094 -0.105 0.000 1.034 584 V CA -0.458 61.842 62.300 0.001 0.000 0.893 584 V CB 1.553 33.369 31.823 -0.012 0.000 0.982 584 V HN 0.913 nan 8.190 nan 0.000 0.452 585 W N 3.996 125.344 121.300 0.079 0.000 2.362 585 W HA 0.509 5.158 4.660 -0.019 0.000 0.316 585 W C -0.168 176.452 176.519 0.169 0.000 1.024 585 W CA -0.655 56.742 57.345 0.088 0.000 1.270 585 W CB 0.506 29.991 29.460 0.043 0.000 1.273 585 W HN 0.596 nan 8.180 nan 0.000 0.424 586 H N 1.696 120.851 119.070 0.141 0.000 2.504 586 H HA 0.509 5.054 4.556 -0.018 0.000 0.322 586 H C -0.342 175.160 175.328 0.290 0.000 1.055 586 H CA -0.250 55.843 56.048 0.075 0.000 1.231 586 H CB 0.986 30.588 29.762 -0.266 0.000 1.417 586 H HN 0.180 nan 8.280 nan 0.000 0.472 587 T N 7.238 121.808 114.554 0.028 0.000 2.806 587 T HA 0.431 4.770 4.350 -0.019 0.000 0.290 587 T C -0.997 173.602 174.700 -0.169 0.000 0.966 587 T CA -0.221 61.902 62.100 0.038 0.000 1.060 587 T CB -0.265 68.716 68.868 0.189 0.000 0.927 587 T HN 0.500 nan 8.240 nan 0.000 0.485 588 F N -0.125 119.705 119.950 -0.200 0.000 2.650 588 F HA 0.841 5.357 4.527 -0.018 0.000 0.310 588 F C -0.279 175.600 175.800 0.132 0.000 1.112 588 F CA -1.130 56.812 58.000 -0.098 0.000 0.986 588 F CB 1.048 39.953 39.000 -0.158 0.000 1.285 588 F HN 0.814 nan 8.300 nan 0.000 0.440 589 G N 1.610 110.500 108.800 0.150 0.000 2.550 589 G HA2 0.582 4.530 3.960 -0.019 0.000 0.293 589 G HA3 0.582 4.530 3.960 -0.019 0.000 0.293 589 G C -2.511 172.477 174.900 0.147 0.000 1.402 589 G CA -1.118 44.062 45.100 0.132 0.000 0.784 589 G HN 0.837 nan 8.290 nan 0.000 0.482 590 L N 0.288 121.591 121.223 0.133 0.000 2.334 590 L HA 0.625 4.954 4.340 -0.019 0.000 0.276 590 L C -0.091 176.761 176.870 -0.030 0.000 1.014 590 L CA -0.705 54.184 54.840 0.081 0.000 0.815 590 L CB 2.419 44.547 42.059 0.114 0.000 1.268 590 L HN 0.440 nan 8.230 nan 0.000 0.428 591 T N 0.683 115.174 114.554 -0.106 0.000 2.772 591 T HA 0.247 4.586 4.350 -0.019 0.000 0.288 591 T C -0.727 173.736 174.700 -0.395 0.000 0.994 591 T CA -0.275 61.644 62.100 -0.301 0.000 0.951 591 T CB 0.153 68.860 68.868 -0.268 0.000 0.933 591 T HN 0.424 nan 8.240 nan 0.000 0.447 592 H N 3.032 121.679 119.070 -0.704 0.000 2.541 592 H HA 0.406 4.951 4.556 -0.018 0.000 0.316 592 H C -1.130 173.713 175.328 -0.809 0.000 1.043 592 H CA -1.075 54.589 56.048 -0.639 0.000 1.232 592 H CB 0.392 29.812 29.762 -0.570 0.000 1.406 592 H HN 0.436 nan 8.280 nan 0.000 0.469 593 F N 6.591 126.482 119.950 -0.097 0.000 2.307 593 F HA 0.277 4.793 4.527 -0.019 0.000 0.369 593 F C -2.070 173.712 175.800 -0.029 0.000 1.076 593 F CA -2.575 55.223 58.000 -0.336 0.000 1.149 593 F CB 0.797 39.492 39.000 -0.509 0.000 1.410 593 F HN 0.516 nan 8.300 nan 0.000 0.481 594 P HA 0.019 nan 4.420 nan 0.000 0.263 594 P C -0.330 177.082 177.300 0.188 0.000 1.175 594 P CA 0.333 63.445 63.100 0.020 0.000 0.761 594 P CB 0.591 32.269 31.700 -0.036 0.000 0.794 595 R N 1.672 122.304 120.500 0.220 0.000 2.758 595 R HA 0.354 4.683 4.340 -0.019 0.000 0.265 595 R C 1.150 177.541 176.300 0.152 0.000 1.016 595 R CA -1.020 55.177 56.100 0.162 0.000 1.040 595 R CB 0.490 30.881 30.300 0.151 0.000 1.152 595 R HN 0.097 nan 8.270 nan 0.000 0.503 596 V N 1.297 121.276 119.914 0.109 0.000 2.469 596 V HA -0.223 3.886 4.120 -0.019 0.000 0.251 596 V C 1.446 177.641 176.094 0.168 0.000 1.064 596 V CA 1.852 64.225 62.300 0.121 0.000 1.066 596 V CB -0.560 31.307 31.823 0.074 0.000 0.667 596 V HN 0.706 nan 8.190 nan 0.000 0.461 597 E N 0.087 120.366 120.200 0.132 0.000 2.333 597 E HA -0.162 4.177 4.350 -0.019 0.000 0.198 597 E C 1.617 178.297 176.600 0.134 0.000 1.007 597 E CA 0.890 57.358 56.400 0.114 0.000 0.845 597 E CB -0.237 29.512 29.700 0.082 0.000 0.766 597 E HN 0.596 nan 8.360 nan 0.000 0.507 598 D N -1.003 119.514 120.400 0.195 0.000 2.355 598 D HA -0.066 4.563 4.640 -0.019 0.000 0.218 598 D C -0.168 176.286 176.300 0.257 0.000 1.004 598 D CA 0.266 54.397 54.000 0.219 0.000 0.880 598 D CB 0.106 41.092 40.800 0.310 0.000 0.911 598 D HN 0.221 nan 8.370 nan 0.000 0.528 599 W N 2.410 123.742 121.300 0.054 0.000 2.551 599 W HA 0.206 4.855 4.660 -0.019 0.000 0.330 599 W C -1.877 174.673 176.519 0.052 0.000 1.063 599 W CA -1.990 55.385 57.345 0.050 0.000 1.222 599 W CB 2.068 31.554 29.460 0.043 0.000 1.349 599 W HN -0.198 nan 8.180 nan 0.000 0.536 600 P HA 0.088 nan 4.420 nan 0.000 0.240 600 P C -0.012 176.851 177.300 -0.729 0.000 1.190 600 P CA 0.842 63.017 63.100 -1.542 0.000 0.781 600 P CB 1.404 32.472 31.700 -1.053 0.000 0.931 601 I N 0.546 120.881 120.570 -0.393 0.000 2.607 601 I HA 0.290 4.449 4.170 -0.019 0.000 0.290 601 I C -0.439 175.561 176.117 -0.195 0.000 1.129 601 I CA -1.849 59.223 61.300 -0.380 0.000 1.042 601 I CB 2.281 39.813 38.000 -0.779 0.000 1.242 601 I HN -0.251 nan 8.210 nan 0.000 0.421 602 M N 9.374 128.912 119.600 -0.104 0.000 2.211 602 M HA 0.594 5.063 4.480 -0.019 0.000 0.356 602 M C -2.564 173.708 176.300 -0.045 0.000 1.216 602 M CA -1.330 53.962 55.300 -0.014 0.000 1.134 602 M CB 0.820 33.472 32.600 0.086 0.000 1.564 602 M HN 0.218 nan 8.290 nan 0.000 0.463 603 P HA 0.113 nan 4.420 nan 0.000 0.275 603 P C -0.446 176.839 177.300 -0.025 0.000 1.228 603 P CA -0.400 62.681 63.100 -0.031 0.000 0.786 603 P CB 0.840 32.530 31.700 -0.017 0.000 0.927 604 V N 2.905 122.807 119.914 -0.021 0.000 2.720 604 V HA -0.048 4.061 4.120 -0.019 0.000 0.307 604 V C 0.807 176.879 176.094 -0.037 0.000 1.071 604 V CA 1.139 63.431 62.300 -0.014 0.000 1.199 604 V CB -0.249 31.579 31.823 0.008 0.000 0.900 604 V HN 0.649 nan 8.190 nan 0.000 0.494 605 D N 2.266 122.632 120.400 -0.056 0.000 2.433 605 D HA 0.697 5.325 4.640 -0.019 0.000 0.236 605 D C -0.270 175.991 176.300 -0.066 0.000 1.026 605 D CA -0.191 53.768 54.000 -0.068 0.000 0.884 605 D CB 2.335 43.067 40.800 -0.113 0.000 1.384 605 D HN 0.733 nan 8.370 nan 0.000 0.477 606 T N -1.410 113.114 114.554 -0.050 0.000 2.901 606 T HA 0.773 5.111 4.350 -0.019 0.000 0.293 606 T C -0.922 173.788 174.700 0.017 0.000 1.084 606 T CA -0.811 61.253 62.100 -0.060 0.000 1.008 606 T CB 1.554 70.371 68.868 -0.084 0.000 1.170 606 T HN 0.246 nan 8.240 nan 0.000 0.509 607 V N -0.281 119.636 119.914 0.005 0.000 3.147 607 V HA 0.867 4.976 4.120 -0.019 0.000 0.299 607 V C -0.215 175.870 176.094 -0.016 0.000 1.302 607 V CA 0.556 62.945 62.300 0.149 0.000 1.015 607 V CB 1.676 33.636 31.823 0.227 0.000 1.086 607 V HN 1.694 nan 8.190 nan 0.000 0.437 608 G N 2.896 111.527 108.800 -0.281 0.000 2.435 608 G HA2 0.711 4.660 3.960 -0.019 0.000 0.228 608 G HA3 0.711 4.660 3.960 -0.019 0.000 0.228 608 G C -1.409 172.913 174.900 -0.963 0.000 1.198 608 G CA 0.240 44.971 45.100 -0.616 0.000 0.948 608 G HN 1.954 nan 8.290 nan 0.000 0.487 609 F N -1.007 118.549 119.950 -0.657 0.000 2.858 609 F HA 0.845 5.361 4.527 -0.019 0.000 0.319 609 F C -1.127 174.639 175.800 -0.058 0.000 1.166 609 F CA -0.919 56.880 58.000 -0.334 0.000 0.899 609 F CB 1.399 40.226 39.000 -0.288 0.000 1.332 609 F HN 0.854 nan 8.300 nan 0.000 0.461 610 K N 0.809 121.361 120.400 0.254 0.000 2.555 610 K HA 0.832 5.141 4.320 -0.019 0.000 0.279 610 K C -2.491 174.343 176.600 0.390 0.000 0.986 610 K CA -1.064 55.351 56.287 0.214 0.000 0.880 610 K CB 2.567 35.158 32.500 0.151 0.000 1.474 610 K HN 0.714 nan 8.250 nan 0.000 0.433 611 L N 1.320 122.774 121.223 0.384 0.000 2.381 611 L HA 0.563 4.892 4.340 -0.019 0.000 0.274 611 L C -0.559 176.585 176.870 0.455 0.000 0.988 611 L CA -0.558 54.545 54.840 0.438 0.000 0.824 611 L CB 2.049 44.386 42.059 0.464 0.000 1.263 611 L HN 0.556 nan 8.230 nan 0.000 0.410 612 R N 3.186 123.876 120.500 0.316 0.000 2.711 612 R HA 0.560 4.889 4.340 -0.019 0.000 0.284 612 R C -2.563 173.505 176.300 -0.387 0.000 0.968 612 R CA -1.893 54.260 56.100 0.088 0.000 0.924 612 R CB 1.920 32.292 30.300 0.119 0.000 1.162 612 R HN 0.301 nan 8.270 nan 0.000 0.465 613 P HA -0.021 nan 4.420 nan 0.000 0.268 613 P C -0.709 176.377 177.300 -0.358 0.000 1.205 613 P CA 0.152 62.609 63.100 -1.071 0.000 0.771 613 P CB 0.766 32.167 31.700 -0.499 0.000 0.858 614 E N 1.833 121.891 120.200 -0.237 0.000 2.675 614 E HA 0.434 4.773 4.350 -0.019 0.000 0.236 614 E C 0.685 177.288 176.600 0.004 0.000 1.059 614 E CA -0.395 55.971 56.400 -0.056 0.000 0.775 614 E CB -0.585 29.100 29.700 -0.025 0.000 1.356 614 E HN 0.683 nan 8.360 nan 0.000 0.403 615 G N 3.364 112.177 108.800 0.023 0.000 2.160 615 G HA2 -0.365 3.583 3.960 -0.019 0.000 0.251 615 G HA3 -0.365 3.583 3.960 -0.019 0.000 0.251 615 G C 0.541 175.449 174.900 0.013 0.000 1.008 615 G CA 0.420 45.535 45.100 0.025 0.000 0.724 615 G HN 0.536 nan 8.290 nan 0.000 0.514 616 F N 0.094 119.935 119.950 -0.181 0.000 2.187 616 F HA 0.453 4.969 4.527 -0.018 0.000 0.295 616 F C 1.321 176.849 175.800 -0.454 0.000 1.091 616 F CA 0.650 58.444 58.000 -0.344 0.000 1.308 616 F CB 0.028 38.717 39.000 -0.519 0.000 1.030 616 F HN 0.123 nan 8.300 nan 0.000 0.487 617 F N 0.289 120.254 119.950 0.026 0.000 2.411 617 F HA 0.233 4.748 4.527 -0.020 0.000 0.324 617 F C 1.338 177.100 175.800 -0.064 0.000 1.086 617 F CA -0.805 57.160 58.000 -0.058 0.000 1.028 617 F CB 0.354 39.333 39.000 -0.035 0.000 1.284 617 F HN -0.288 nan 8.300 nan 0.000 0.501 618 D N 0.101 120.588 120.400 0.144 0.000 2.340 618 D HA 0.070 4.699 4.640 -0.019 0.000 0.220 618 D C 0.300 176.634 176.300 0.056 0.000 1.039 618 D CA 0.578 54.613 54.000 0.059 0.000 0.866 618 D CB 0.227 41.045 40.800 0.029 0.000 0.913 618 D HN 0.517 nan 8.370 nan 0.000 0.523 619 R N -2.227 118.322 120.500 0.081 0.000 2.832 619 R HA 0.218 4.547 4.340 -0.019 0.000 0.283 619 R C -0.757 175.545 176.300 0.004 0.000 0.998 619 R CA -0.763 55.355 56.100 0.031 0.000 0.843 619 R CB 0.348 30.653 30.300 0.008 0.000 1.332 619 R HN -0.166 nan 8.270 nan 0.000 0.490 620 S N 0.961 116.640 115.700 -0.035 0.000 2.563 620 S HA 0.104 4.563 4.470 -0.019 0.000 0.294 620 S C -1.305 173.193 174.600 -0.170 0.000 1.279 620 S CA -0.736 57.411 58.200 -0.088 0.000 1.069 620 S CB 0.462 63.630 63.200 -0.054 0.000 0.828 620 S HN 0.525 nan 8.310 nan 0.000 0.497 621 P HA 0.126 nan 4.420 nan 0.000 0.257 621 P C 0.415 177.604 177.300 -0.186 0.000 1.281 621 P CA 0.165 62.985 63.100 -0.467 0.000 0.826 621 P CB -0.174 30.747 31.700 -1.298 0.000 1.237 622 V N -3.800 116.055 119.914 -0.098 0.000 2.940 622 V HA 0.264 4.373 4.120 -0.019 0.000 0.366 622 V C 1.399 177.515 176.094 0.036 0.000 1.353 622 V CA -0.137 62.157 62.300 -0.008 0.000 1.232 622 V CB -0.671 31.171 31.823 0.032 0.000 1.278 622 V HN -0.131 nan 8.190 nan 0.000 0.546 623 L N 1.018 122.253 121.223 0.020 0.000 2.395 623 L HA 0.073 4.402 4.340 -0.019 0.000 0.218 623 L C 2.057 178.967 176.870 0.067 0.000 1.130 623 L CA 1.296 56.170 54.840 0.057 0.000 0.826 623 L CB -0.176 41.894 42.059 0.018 0.000 0.941 623 L HN 0.570 nan 8.230 nan 0.000 0.451 624 D N -0.524 119.896 120.400 0.033 0.000 2.328 624 D HA -0.003 4.625 4.640 -0.019 0.000 0.221 624 D C 0.574 176.883 176.300 0.015 0.000 1.072 624 D CA 0.017 54.030 54.000 0.022 0.000 0.850 624 D CB -0.107 40.695 40.800 0.002 0.000 0.922 624 D HN -0.007 nan 8.370 nan 0.000 0.516 625 V N 3.170 123.100 119.914 0.027 0.000 2.555 625 V HA 0.199 4.308 4.120 -0.019 0.000 0.286 625 V C -1.618 174.478 176.094 0.003 0.000 1.044 625 V CA -1.105 61.201 62.300 0.010 0.000 1.026 625 V CB 1.082 32.919 31.823 0.023 0.000 0.981 625 V HN 0.173 nan 8.190 nan 0.000 0.480 626 P HA 0.240 nan 4.420 nan 0.000 0.276 626 P C 0.362 177.631 177.300 -0.051 0.000 1.244 626 P CA -0.330 62.757 63.100 -0.022 0.000 0.801 626 P CB 1.444 33.135 31.700 -0.016 0.000 1.006 627 A N 2.148 124.927 122.820 -0.067 0.000 1.898 627 A HA -0.097 4.212 4.320 -0.019 0.000 0.216 627 A C 1.147 178.693 177.584 -0.062 0.000 1.181 627 A CA 1.418 53.396 52.037 -0.099 0.000 0.620 627 A CB -0.806 18.138 19.000 -0.092 0.000 0.819 627 A HN 0.815 nan 8.150 nan 0.000 0.442 628 N N 0.000 118.678 118.700 -0.037 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.019 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 628 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667