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 2zl8_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.582 177.584 -0.003 0.000 1.274 9 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 9 A CB 0.000 19.003 19.000 0.005 0.000 0.831 10 S N 2.459 118.167 115.700 0.014 0.000 2.531 10 S HA 0.440 4.891 4.470 -0.032 0.000 0.279 10 S C -1.374 173.213 174.600 -0.021 0.000 1.305 10 S CA -0.661 57.561 58.200 0.037 0.000 1.058 10 S CB 0.968 64.228 63.200 0.101 0.000 0.899 10 S HN 0.352 nan 8.310 nan 0.000 0.493 11 P HA 0.065 nan 4.420 nan 0.000 0.242 11 P C 0.103 177.069 177.300 -0.556 0.000 1.197 11 P CA 0.558 63.455 63.100 -0.339 0.000 0.765 11 P CB -0.119 31.317 31.700 -0.441 0.000 0.936 12 F N 0.414 120.299 119.950 -0.108 0.000 2.661 12 F HA 0.226 4.734 4.527 -0.032 0.000 0.306 12 F C 1.503 177.239 175.800 -0.106 0.000 1.094 12 F CA -0.766 57.124 58.000 -0.184 0.000 1.254 12 F CB -0.052 38.831 39.000 -0.195 0.000 1.040 12 F HN -0.167 nan 8.300 nan 0.000 0.562 13 R N 0.739 121.273 120.500 0.057 0.000 2.734 13 R HA 0.286 4.607 4.340 -0.032 0.000 0.266 13 R C -0.161 176.165 176.300 0.043 0.000 1.044 13 R CA -0.444 55.694 56.100 0.063 0.000 1.128 13 R CB 0.462 30.789 30.300 0.045 0.000 1.010 13 R HN 0.136 nan 8.270 nan 0.000 0.461 14 L N 1.524 122.785 121.223 0.063 0.000 2.467 14 L HA 0.173 4.494 4.340 -0.032 0.000 0.270 14 L C 0.800 177.712 176.870 0.070 0.000 1.205 14 L CA -0.293 54.587 54.840 0.067 0.000 0.828 14 L CB 0.583 42.683 42.059 0.068 0.000 1.101 14 L HN 0.853 nan 8.230 nan 0.000 0.479 15 A N 2.128 125.004 122.820 0.094 0.000 2.445 15 A HA 0.375 4.676 4.320 -0.032 0.000 0.242 15 A C 0.305 177.961 177.584 0.120 0.000 1.075 15 A CA -0.210 51.928 52.037 0.168 0.000 0.777 15 A CB 0.202 19.367 19.000 0.275 0.000 1.013 15 A HN 0.756 nan 8.150 nan 0.000 0.493 16 S N 0.980 116.744 115.700 0.108 0.000 2.690 16 S HA 0.604 5.054 4.470 -0.032 0.000 0.291 16 S C 1.115 175.733 174.600 0.030 0.000 1.138 16 S CA -0.188 58.044 58.200 0.054 0.000 1.013 16 S CB 1.539 64.762 63.200 0.039 0.000 1.053 16 S HN 1.582 nan 8.310 nan 0.000 0.539 17 A N 1.679 124.507 122.820 0.013 0.000 1.940 17 A HA 0.122 4.423 4.320 -0.032 0.000 0.219 17 A C 2.098 179.667 177.584 -0.026 0.000 1.176 17 A CA 1.750 53.785 52.037 -0.003 0.000 0.631 17 A CB -1.725 17.274 19.000 -0.002 0.000 0.814 17 A HN 1.157 nan 8.150 nan 0.000 0.446 18 G N -0.623 108.163 108.800 -0.023 0.000 2.408 18 G HA2 -0.187 3.754 3.960 -0.032 0.000 0.217 18 G HA3 -0.187 3.754 3.960 -0.032 0.000 0.217 18 G C 1.420 176.273 174.900 -0.078 0.000 1.150 18 G CA 0.913 45.989 45.100 -0.039 0.000 0.776 18 G HN 0.654 nan 8.290 nan 0.000 0.542 19 E N -0.077 120.074 120.200 -0.083 0.000 2.110 19 E HA -0.046 4.285 4.350 -0.032 0.000 0.193 19 E C 2.468 178.838 176.600 -0.383 0.000 0.988 19 E CA 0.504 56.790 56.400 -0.190 0.000 0.804 19 E CB -0.112 29.549 29.700 -0.065 0.000 0.745 19 E HN 0.490 nan 8.360 nan 0.000 0.458 20 I N 0.641 121.055 120.570 -0.260 0.000 2.315 20 I HA -0.211 3.940 4.170 -0.032 0.000 0.248 20 I C 2.291 178.293 176.117 -0.192 0.000 1.117 20 I CA 0.641 61.784 61.300 -0.263 0.000 1.404 20 I CB -0.090 37.846 38.000 -0.108 0.000 1.071 20 I HN -0.022 nan 8.210 nan 0.000 0.419 21 S N 0.231 115.854 115.700 -0.128 0.000 2.402 21 S HA -0.135 4.315 4.470 -0.032 0.000 0.229 21 S C 1.893 176.430 174.600 -0.104 0.000 1.021 21 S CA 1.017 59.164 58.200 -0.088 0.000 0.974 21 S CB -0.154 63.012 63.200 -0.057 0.000 0.800 21 S HN 0.392 nan 8.310 nan 0.000 0.484 22 E N 0.951 121.064 120.200 -0.144 0.000 2.072 22 E HA -0.050 4.280 4.350 -0.032 0.000 0.191 22 E C 2.302 178.809 176.600 -0.155 0.000 0.985 22 E CA 0.718 57.036 56.400 -0.136 0.000 0.801 22 E CB -0.560 29.051 29.700 -0.148 0.000 0.750 22 E HN 0.325 nan 8.360 nan 0.000 0.452 23 V N 1.674 121.440 119.914 -0.247 0.000 2.332 23 V HA -0.287 3.814 4.120 -0.032 0.000 0.248 23 V C 2.682 178.707 176.094 -0.115 0.000 1.055 23 V CA 2.130 64.299 62.300 -0.219 0.000 1.038 23 V CB -0.571 31.050 31.823 -0.337 0.000 0.651 23 V HN 0.308 nan 8.190 nan 0.000 0.450 24 Q N 0.161 119.900 119.800 -0.101 0.000 2.050 24 Q HA -0.177 4.144 4.340 -0.032 0.000 0.202 24 Q C 2.269 178.250 176.000 -0.032 0.000 0.980 24 Q CA 2.163 57.938 55.803 -0.045 0.000 0.840 24 Q CB -0.520 28.200 28.738 -0.029 0.000 0.898 24 Q HN 0.634 nan 8.270 nan 0.000 0.424 25 G N 1.355 110.128 108.800 -0.044 0.000 2.418 25 G HA2 -0.219 3.721 3.960 -0.032 0.000 0.217 25 G HA3 -0.219 3.721 3.960 -0.032 0.000 0.217 25 G C 1.427 176.310 174.900 -0.027 0.000 1.158 25 G CA 0.847 45.928 45.100 -0.032 0.000 0.771 25 G HN 0.319 nan 8.290 nan 0.000 0.545 26 I N 0.979 121.527 120.570 -0.037 0.000 2.142 26 I HA -0.103 4.048 4.170 -0.032 0.000 0.240 26 I C 2.901 179.011 176.117 -0.012 0.000 1.078 26 I CA 0.914 62.198 61.300 -0.026 0.000 1.343 26 I CB -1.226 36.755 38.000 -0.033 0.000 1.046 26 I HN 0.160 nan 8.210 nan 0.000 0.405 27 L N -0.106 121.110 121.223 -0.011 0.000 2.046 27 L HA -0.229 4.091 4.340 -0.032 0.000 0.208 27 L C 2.782 179.657 176.870 0.008 0.000 1.077 27 L CA 1.243 56.086 54.840 0.005 0.000 0.747 27 L CB -0.649 41.416 42.059 0.010 0.000 0.896 27 L HN 0.172 nan 8.230 nan 0.000 0.432 28 R N 0.556 121.059 120.500 0.005 0.000 2.082 28 R HA -0.188 4.132 4.340 -0.032 0.000 0.234 28 R C 2.483 178.785 176.300 0.004 0.000 1.136 28 R CA 2.406 58.511 56.100 0.008 0.000 0.935 28 R CB -0.814 29.488 30.300 0.004 0.000 0.842 28 R HN 0.508 nan 8.270 nan 0.000 0.430 29 T N -2.311 112.242 114.554 -0.001 0.000 2.881 29 T HA -0.027 4.304 4.350 -0.032 0.000 0.270 29 T C 1.773 176.473 174.700 0.001 0.000 1.068 29 T CA 1.025 63.124 62.100 -0.002 0.000 1.131 29 T CB -0.336 68.529 68.868 -0.005 0.000 0.871 29 T HN 0.298 nan 8.240 nan 0.000 0.479 30 A N 0.801 123.623 122.820 0.003 0.000 2.238 30 A HA 0.558 4.859 4.320 -0.032 0.000 0.208 30 A C 2.022 179.611 177.584 0.007 0.000 1.177 30 A CA 0.598 52.639 52.037 0.006 0.000 0.804 30 A CB -1.171 17.835 19.000 0.009 0.000 0.823 30 A HN 1.440 nan 8.150 nan 0.000 0.482 31 G N -1.096 107.708 108.800 0.007 0.000 2.160 31 G HA2 -0.236 3.705 3.960 -0.032 0.000 0.251 31 G HA3 -0.236 3.705 3.960 -0.032 0.000 0.251 31 G C 0.475 175.381 174.900 0.010 0.000 1.008 31 G CA 0.508 45.612 45.100 0.007 0.000 0.724 31 G HN 0.539 nan 8.290 nan 0.000 0.514 32 L N -1.252 119.980 121.223 0.015 0.000 2.640 32 L HA 0.458 4.779 4.340 -0.032 0.000 0.230 32 L C 1.079 177.964 176.870 0.025 0.000 1.123 32 L CA -0.022 54.830 54.840 0.020 0.000 0.900 32 L CB 0.544 42.619 42.059 0.027 0.000 1.146 32 L HN 0.186 nan 8.230 nan 0.000 0.484 33 L N 0.532 121.772 121.223 0.027 0.000 2.913 33 L HA 0.486 4.807 4.340 -0.032 0.000 0.283 33 L C 0.782 177.680 176.870 0.047 0.000 1.336 33 L CA -0.189 54.676 54.840 0.042 0.000 0.815 33 L CB 0.397 42.484 42.059 0.048 0.000 1.188 33 L HN -0.030 nan 8.230 nan 0.000 0.551 34 G N 0.405 109.224 108.800 0.033 0.000 2.683 34 G HA2 0.253 4.194 3.960 -0.032 0.000 0.260 34 G HA3 0.253 4.194 3.960 -0.032 0.000 0.260 34 G C -1.635 173.295 174.900 0.051 0.000 1.238 34 G CA -0.676 44.441 45.100 0.029 0.000 0.934 34 G HN 0.341 nan 8.290 nan 0.000 0.534 35 P HA -0.094 nan 4.420 nan 0.000 0.218 35 P C 1.570 178.917 177.300 0.078 0.000 1.146 35 P CA 1.387 64.521 63.100 0.057 0.000 0.813 35 P CB 0.249 31.965 31.700 0.025 0.000 0.778 36 E N -1.175 119.046 120.200 0.035 0.000 2.479 36 E HA 0.006 4.337 4.350 -0.032 0.000 0.193 36 E C 0.196 176.779 176.600 -0.029 0.000 1.049 36 E CA 0.556 56.958 56.400 0.003 0.000 0.870 36 E CB -0.190 29.491 29.700 -0.032 0.000 0.944 36 E HN 0.111 nan 8.360 nan 0.000 0.492 37 K N 1.528 121.934 120.400 0.009 0.000 2.118 37 K HA 0.397 4.698 4.320 -0.032 0.000 0.264 37 K C 0.231 176.831 176.600 -0.000 0.000 1.000 37 K CA -0.538 55.742 56.287 -0.012 0.000 0.929 37 K CB 1.232 33.742 32.500 0.017 0.000 1.021 37 K HN -0.038 nan 8.250 nan 0.000 0.463 38 R N 1.552 122.037 120.500 -0.024 0.000 2.651 38 R HA 0.436 4.757 4.340 -0.032 0.000 0.278 38 R C -0.261 176.038 176.300 -0.003 0.000 1.010 38 R CA -0.680 55.372 56.100 -0.079 0.000 0.896 38 R CB 1.293 31.565 30.300 -0.046 0.000 1.211 38 R HN 0.577 nan 8.270 nan 0.000 0.456 39 I N 2.370 122.908 120.570 -0.054 0.000 2.291 39 I HA 0.125 4.276 4.170 -0.032 0.000 0.292 39 I C 1.308 177.445 176.117 0.032 0.000 1.064 39 I CA -0.017 61.291 61.300 0.013 0.000 1.269 39 I CB 1.508 39.495 38.000 -0.022 0.000 1.418 39 I HN 0.724 nan 8.210 nan 0.000 0.485 40 A N 6.666 129.566 122.820 0.134 0.000 2.072 40 A HA -0.005 4.296 4.320 -0.032 0.000 0.216 40 A C 0.330 178.052 177.584 0.230 0.000 1.156 40 A CA 0.918 53.053 52.037 0.162 0.000 0.701 40 A CB 0.159 19.285 19.000 0.210 0.000 0.816 40 A HN 0.683 nan 8.150 nan 0.000 0.458 41 Y N -2.076 118.257 120.300 0.055 0.000 2.474 41 Y HA 0.554 5.085 4.550 -0.032 0.000 0.326 41 Y C -1.845 173.962 175.900 -0.156 0.000 1.160 41 Y CA -1.222 56.815 58.100 -0.105 0.000 1.056 41 Y CB 1.160 39.435 38.460 -0.308 0.000 1.330 41 Y HN 0.140 nan 8.280 nan 0.000 0.447 42 L N 5.379 125.891 121.223 -1.184 0.000 2.543 42 L HA 0.950 5.271 4.340 -0.032 0.000 0.265 42 L C -1.250 175.090 176.870 -0.882 0.000 0.945 42 L CA -0.172 54.188 54.840 -0.799 0.000 0.869 42 L CB 1.948 43.837 42.059 -0.282 0.000 1.294 42 L HN 0.952 nan 8.230 nan 0.000 0.405 43 G N 2.859 111.295 108.800 -0.606 0.000 2.720 43 G HA2 0.473 4.414 3.960 -0.032 0.000 0.295 43 G HA3 0.473 4.414 3.960 -0.032 0.000 0.295 43 G C -1.912 172.784 174.900 -0.339 0.000 1.437 43 G CA -0.553 44.347 45.100 -0.335 0.000 0.886 43 G HN 0.485 nan 8.290 nan 0.000 0.509 44 V N 1.502 121.047 119.914 -0.614 0.000 2.775 44 V HA 0.548 4.649 4.120 -0.032 0.000 0.299 44 V C 0.236 176.060 176.094 -0.451 0.000 1.062 44 V CA -0.456 61.220 62.300 -1.040 0.000 1.063 44 V CB 0.838 32.015 31.823 -1.078 0.000 0.994 44 V HN 0.569 nan 8.190 nan 0.000 0.483 45 L N 5.207 126.207 121.223 -0.372 0.000 2.334 45 L HA 0.446 4.767 4.340 -0.032 0.000 0.277 45 L C 0.000 176.756 176.870 -0.190 0.000 1.075 45 L CA -0.683 54.046 54.840 -0.186 0.000 0.804 45 L CB 1.017 43.007 42.059 -0.115 0.000 1.174 45 L HN 0.607 nan 8.230 nan 0.000 0.438 46 D N 2.348 122.681 120.400 -0.113 0.000 2.339 46 D HA 0.238 4.859 4.640 -0.032 0.000 0.245 46 D C -2.026 174.187 176.300 -0.144 0.000 1.115 46 D CA -0.960 52.967 54.000 -0.122 0.000 0.917 46 D CB 0.427 41.254 40.800 0.045 0.000 1.192 46 D HN 0.244 nan 8.370 nan 0.000 0.428 47 P HA 0.177 nan 4.420 nan 0.000 0.267 47 P C -0.725 176.533 177.300 -0.069 0.000 1.200 47 P CA -0.143 62.840 63.100 -0.195 0.000 0.772 47 P CB 0.517 32.028 31.700 -0.315 0.000 0.855 48 A N 3.212 126.003 122.820 -0.050 0.000 2.313 48 A HA 0.248 4.549 4.320 -0.032 0.000 0.261 48 A C 0.303 177.870 177.584 -0.028 0.000 1.090 48 A CA -0.470 51.557 52.037 -0.016 0.000 0.807 48 A CB 0.168 19.161 19.000 -0.011 0.000 1.055 48 A HN 0.418 nan 8.150 nan 0.000 0.492 49 R N 0.453 120.922 120.500 -0.053 0.000 2.488 49 R HA 0.274 4.595 4.340 -0.032 0.000 0.317 49 R C 0.703 176.978 176.300 -0.043 0.000 0.941 49 R CA 1.289 57.319 56.100 -0.117 0.000 1.076 49 R CB -1.289 28.907 30.300 -0.172 0.000 0.917 49 R HN 1.799 nan 8.270 nan 0.000 0.407 50 G N 1.395 110.195 108.800 -0.001 0.000 3.399 50 G HA2 -0.039 3.902 3.960 -0.032 0.000 0.685 50 G HA3 -0.039 3.902 3.960 -0.032 0.000 0.685 50 G C -0.056 174.854 174.900 0.016 0.000 0.952 50 G CA -0.259 44.855 45.100 0.024 0.000 0.793 50 G HN 0.761 nan 8.290 nan 0.000 0.492 51 A N 1.966 124.803 122.820 0.027 0.000 2.793 51 A HA 0.720 5.021 4.320 -0.032 0.000 0.301 51 A C 1.922 179.512 177.584 0.010 0.000 1.172 51 A CA 1.044 53.086 52.037 0.008 0.000 0.973 51 A CB 0.074 19.078 19.000 0.007 0.000 1.164 51 A HN 2.184 nan 8.150 nan 0.000 0.542 52 G N 0.554 109.361 108.800 0.013 0.000 2.509 52 G HA2 0.008 3.949 3.960 -0.032 0.000 0.218 52 G HA3 0.008 3.949 3.960 -0.032 0.000 0.218 52 G C 0.910 175.812 174.900 0.004 0.000 1.124 52 G CA 0.956 46.063 45.100 0.011 0.000 0.776 52 G HN 0.847 nan 8.290 nan 0.000 0.547 53 S N 1.619 117.319 115.700 -0.001 0.000 2.416 53 S HA 0.338 4.789 4.470 -0.032 0.000 0.302 53 S C 0.006 174.601 174.600 -0.009 0.000 1.120 53 S CA -0.736 57.461 58.200 -0.005 0.000 1.067 53 S CB 1.082 64.277 63.200 -0.008 0.000 1.057 53 S HN 0.228 nan 8.310 nan 0.000 0.518 54 E N 2.198 122.394 120.200 -0.006 0.000 2.565 54 E HA 0.193 4.524 4.350 -0.032 0.000 0.268 54 E C 0.753 177.345 176.600 -0.013 0.000 1.000 54 E CA 1.114 57.509 56.400 -0.008 0.000 0.964 54 E CB -0.098 29.600 29.700 -0.005 0.000 0.955 54 E HN 1.375 nan 8.360 nan 0.000 0.459 55 A N 2.029 124.840 122.820 -0.016 0.000 1.935 55 A HA -0.154 4.147 4.320 -0.032 0.000 0.488 55 A C 0.547 178.113 177.584 -0.030 0.000 0.501 55 A CA 0.924 52.949 52.037 -0.021 0.000 0.379 55 A CB -0.652 18.339 19.000 -0.014 0.000 2.852 55 A HN 0.581 nan 8.150 nan 0.000 0.390 56 E N 1.982 122.154 120.200 -0.046 0.000 2.376 56 E HA 0.509 4.840 4.350 -0.032 0.000 0.254 56 E C -0.264 176.309 176.600 -0.046 0.000 1.213 56 E CA 0.033 56.395 56.400 -0.064 0.000 0.945 56 E CB 0.723 30.356 29.700 -0.112 0.000 1.057 56 E HN 0.653 nan 8.360 nan 0.000 0.479 57 D N 0.301 120.672 120.400 -0.049 0.000 2.446 57 D HA 0.154 4.775 4.640 -0.032 0.000 0.251 57 D C -0.749 175.537 176.300 -0.022 0.000 1.137 57 D CA -0.575 53.411 54.000 -0.023 0.000 0.890 57 D CB 0.349 41.140 40.800 -0.015 0.000 1.071 57 D HN 0.140 nan 8.370 nan 0.000 0.528 58 R N 3.399 123.900 120.500 0.001 0.000 2.507 58 R HA 0.166 4.487 4.340 -0.032 0.000 0.341 58 R C 0.136 176.507 176.300 0.118 0.000 0.960 58 R CA 0.241 56.361 56.100 0.034 0.000 1.032 58 R CB -0.050 30.316 30.300 0.111 0.000 0.933 58 R HN 0.438 nan 8.270 nan 0.000 0.418 59 R N 2.324 122.848 120.500 0.041 0.000 2.664 59 R HA 0.485 4.806 4.340 -0.032 0.000 0.286 59 R C -0.640 175.696 176.300 0.059 0.000 0.967 59 R CA -0.657 55.508 56.100 0.108 0.000 0.933 59 R CB 1.369 31.687 30.300 0.030 0.000 1.146 59 R HN 0.210 nan 8.270 nan 0.000 0.468 60 F N 0.676 120.610 119.950 -0.027 0.000 2.532 60 F HA 0.461 4.969 4.527 -0.032 0.000 0.321 60 F C 0.373 176.163 175.800 -0.016 0.000 1.089 60 F CA -0.821 57.157 58.000 -0.038 0.000 0.926 60 F CB 1.769 40.734 39.000 -0.058 0.000 1.168 60 F HN 0.174 nan 8.300 nan 0.000 0.459 61 R N 2.197 122.764 120.500 0.111 0.000 2.407 61 R HA 0.840 5.161 4.340 -0.032 0.000 0.303 61 R C -1.851 174.491 176.300 0.070 0.000 0.981 61 R CA -0.470 55.700 56.100 0.116 0.000 0.905 61 R CB 1.382 31.756 30.300 0.124 0.000 1.099 61 R HN 0.560 nan 8.270 nan 0.000 0.459 62 V N 4.700 124.689 119.914 0.125 0.000 2.760 62 V HA 0.471 4.572 4.120 -0.032 0.000 0.309 62 V C -1.158 175.157 176.094 0.368 0.000 1.077 62 V CA -0.849 61.518 62.300 0.112 0.000 0.910 62 V CB 1.975 33.856 31.823 0.097 0.000 1.008 62 V HN 0.567 nan 8.190 nan 0.000 0.424 63 F N 4.480 124.587 119.950 0.261 0.000 2.388 63 F HA 0.598 5.106 4.527 -0.032 0.000 0.358 63 F C -0.037 175.859 175.800 0.160 0.000 1.122 63 F CA -1.710 56.441 58.000 0.252 0.000 1.056 63 F CB 1.378 40.576 39.000 0.330 0.000 1.155 63 F HN 0.153 nan 8.300 nan 0.000 0.461 64 I N 3.837 124.587 120.570 0.300 0.000 2.339 64 I HA 0.176 4.327 4.170 -0.032 0.000 0.290 64 I C 0.068 176.277 176.117 0.154 0.000 0.994 64 I CA -0.533 60.874 61.300 0.178 0.000 1.191 64 I CB 0.955 39.022 38.000 0.112 0.000 1.343 64 I HN 0.550 nan 8.210 nan 0.000 0.458 65 H N 5.872 124.962 119.070 0.034 0.000 2.496 65 H HA 0.435 4.972 4.556 -0.032 0.000 0.342 65 H C -1.085 174.234 175.328 -0.016 0.000 1.170 65 H CA -0.324 55.720 56.048 -0.007 0.000 1.274 65 H CB 1.400 31.150 29.762 -0.019 0.000 1.538 65 H HN 0.556 nan 8.280 nan 0.000 0.542 66 D N 3.759 123.692 120.400 -0.778 0.000 2.549 66 D HA 0.097 4.718 4.640 -0.032 0.000 0.251 66 D C 0.935 176.780 176.300 -0.758 0.000 1.153 66 D CA -0.488 53.177 54.000 -0.559 0.000 0.861 66 D CB 1.625 42.272 40.800 -0.257 0.000 1.207 66 D HN 0.491 nan 8.370 nan 0.000 0.543 67 V N 2.037 121.668 119.914 -0.471 0.000 3.305 67 V HA -0.050 4.051 4.120 -0.032 0.000 0.269 67 V C 1.541 177.568 176.094 -0.113 0.000 1.157 67 V CA 1.570 63.736 62.300 -0.223 0.000 1.157 67 V CB -0.671 31.114 31.823 -0.063 0.000 0.772 67 V HN 0.488 nan 8.190 nan 0.000 0.498 68 S N -0.491 115.137 115.700 -0.120 0.000 2.575 68 S HA 0.477 4.927 4.470 -0.032 0.000 0.215 68 S C 1.647 176.209 174.600 -0.064 0.000 0.966 68 S CA 0.644 58.803 58.200 -0.068 0.000 0.911 68 S CB 0.288 63.456 63.200 -0.055 0.000 0.780 68 S HN 1.672 nan 8.310 nan 0.000 0.514 69 G N 0.643 109.392 108.800 -0.085 0.000 2.194 69 G HA2 -0.097 3.844 3.960 -0.032 0.000 0.236 69 G HA3 -0.097 3.844 3.960 -0.032 0.000 0.236 69 G C 0.353 175.215 174.900 -0.064 0.000 0.987 69 G CA -0.145 44.920 45.100 -0.057 0.000 0.635 69 G HN 1.255 nan 8.290 nan 0.000 0.520 70 A N 0.004 122.774 122.820 -0.083 0.000 2.448 70 A HA 0.651 4.952 4.320 -0.032 0.000 0.239 70 A C 0.836 178.376 177.584 -0.074 0.000 1.080 70 A CA 0.830 52.824 52.037 -0.071 0.000 0.779 70 A CB 0.147 19.104 19.000 -0.070 0.000 1.026 70 A HN 0.933 nan 8.150 nan 0.000 0.499 71 R N 1.471 121.934 120.500 -0.062 0.000 2.585 71 R HA 0.185 4.506 4.340 -0.032 0.000 0.275 71 R C -2.104 174.157 176.300 -0.065 0.000 1.018 71 R CA -0.465 55.596 56.100 -0.066 0.000 1.072 71 R CB 0.234 30.497 30.300 -0.062 0.000 0.953 71 R HN 0.603 nan 8.270 nan 0.000 0.419 72 P HA 0.120 nan 4.420 nan 0.000 0.276 72 P C -1.311 175.951 177.300 -0.063 0.000 1.261 72 P CA -0.365 62.703 63.100 -0.053 0.000 0.800 72 P CB 1.065 32.727 31.700 -0.062 0.000 1.066 73 Q N -0.785 119.008 119.800 -0.011 0.000 2.421 73 Q HA 0.394 4.714 4.340 -0.032 0.000 0.280 73 Q C -0.947 175.120 176.000 0.111 0.000 1.085 73 Q CA -0.692 55.123 55.803 0.020 0.000 0.807 73 Q CB 2.577 31.339 28.738 0.040 0.000 1.405 73 Q HN 0.434 nan 8.270 nan 0.000 0.419 74 E N 1.618 121.905 120.200 0.144 0.000 2.129 74 E HA 0.454 4.785 4.350 -0.032 0.000 0.268 74 E C -1.500 175.243 176.600 0.239 0.000 0.900 74 E CA -0.478 56.111 56.400 0.314 0.000 0.755 74 E CB 1.255 31.159 29.700 0.340 0.000 1.117 74 E HN 0.314 nan 8.360 nan 0.000 0.410 75 V N 3.404 123.467 119.914 0.248 0.000 2.680 75 V HA 0.423 4.523 4.120 -0.032 0.000 0.309 75 V C -0.161 176.027 176.094 0.157 0.000 1.052 75 V CA -0.739 61.660 62.300 0.164 0.000 0.908 75 V CB 2.127 34.024 31.823 0.123 0.000 1.001 75 V HN 0.684 nan 8.190 nan 0.000 0.431 76 T N 3.927 118.554 114.554 0.122 0.000 2.792 76 T HA 0.648 4.979 4.350 -0.032 0.000 0.280 76 T C -0.426 174.328 174.700 0.091 0.000 0.990 76 T CA -0.414 61.753 62.100 0.112 0.000 0.960 76 T CB 1.472 70.396 68.868 0.094 0.000 0.939 76 T HN 0.790 nan 8.240 nan 0.000 0.439 77 V N 0.692 120.669 119.914 0.105 0.000 2.864 77 V HA 0.913 5.014 4.120 -0.032 0.000 0.314 77 V C -0.230 175.924 176.094 0.100 0.000 1.073 77 V CA -0.907 61.441 62.300 0.079 0.000 0.956 77 V CB 2.174 34.024 31.823 0.045 0.000 1.023 77 V HN 0.738 nan 8.190 nan 0.000 0.435 78 S N 1.625 117.363 115.700 0.063 0.000 2.448 78 S HA 0.427 4.878 4.470 -0.032 0.000 0.320 78 S C 0.675 175.299 174.600 0.040 0.000 1.071 78 S CA -0.059 58.181 58.200 0.066 0.000 1.113 78 S CB 1.014 64.238 63.200 0.039 0.000 0.972 78 S HN 1.834 nan 8.310 nan 0.000 0.465 79 V N 3.612 123.559 119.914 0.056 0.000 3.041 79 V HA 0.048 4.149 4.120 -0.032 0.000 0.260 79 V C 1.813 177.910 176.094 0.005 0.000 1.105 79 V CA 1.622 63.916 62.300 -0.011 0.000 1.125 79 V CB -1.413 30.373 31.823 -0.062 0.000 0.730 79 V HN 0.762 nan 8.190 nan 0.000 0.479 80 T N 1.646 116.216 114.554 0.026 0.000 2.812 80 T HA -0.035 4.295 4.350 -0.032 0.000 0.264 80 T C 1.670 176.373 174.700 0.005 0.000 1.042 80 T CA 1.909 64.018 62.100 0.015 0.000 1.140 80 T CB -0.330 68.547 68.868 0.015 0.000 0.870 80 T HN 0.579 nan 8.240 nan 0.000 0.445 81 N N 0.222 118.927 118.700 0.007 0.000 2.282 81 N HA 0.165 4.886 4.740 -0.032 0.000 0.185 81 N C 1.195 176.704 175.510 -0.001 0.000 1.099 81 N CA 0.583 53.634 53.050 0.003 0.000 0.878 81 N CB 0.561 39.051 38.487 0.006 0.000 0.993 81 N HN 0.489 nan 8.380 nan 0.000 0.481 82 G N 1.896 110.694 108.800 -0.004 0.000 2.298 82 G HA2 -0.255 3.686 3.960 -0.032 0.000 0.287 82 G HA3 -0.255 3.686 3.960 -0.032 0.000 0.287 82 G C 0.118 175.015 174.900 -0.005 0.000 1.075 82 G CA 0.941 46.034 45.100 -0.011 0.000 0.960 82 G HN 0.519 nan 8.290 nan 0.000 0.502 83 T N -3.953 110.603 114.554 0.003 0.000 2.887 83 T HA 0.700 5.031 4.350 -0.032 0.000 0.292 83 T C -0.373 174.337 174.700 0.016 0.000 1.087 83 T CA -0.562 61.543 62.100 0.008 0.000 1.009 83 T CB 2.660 71.534 68.868 0.010 0.000 1.203 83 T HN 0.815 nan 8.240 nan 0.000 0.518 84 V N 3.267 123.193 119.914 0.019 0.000 2.320 84 V HA 0.205 4.306 4.120 -0.032 0.000 0.265 84 V C 1.180 177.293 176.094 0.031 0.000 1.048 84 V CA -0.700 61.617 62.300 0.028 0.000 0.865 84 V CB 0.211 32.050 31.823 0.026 0.000 1.043 84 V HN 0.793 nan 8.190 nan 0.000 0.474 85 I N 2.655 123.248 120.570 0.038 0.000 2.315 85 I HA -0.025 4.125 4.170 -0.032 0.000 0.248 85 I C 1.113 177.253 176.117 0.038 0.000 1.117 85 I CA 1.391 62.712 61.300 0.036 0.000 1.404 85 I CB -0.281 37.742 38.000 0.040 0.000 1.071 85 I HN 0.669 nan 8.210 nan 0.000 0.419 86 S N -0.881 114.848 115.700 0.049 0.000 2.567 86 S HA 0.767 5.218 4.470 -0.032 0.000 0.270 86 S C -1.728 172.910 174.600 0.063 0.000 1.152 86 S CA -0.144 58.086 58.200 0.052 0.000 0.835 86 S CB 1.801 65.035 63.200 0.056 0.000 1.115 86 S HN 0.265 nan 8.310 nan 0.000 0.459 87 A N 2.480 125.333 122.820 0.056 0.000 2.497 87 A HA 0.662 4.963 4.320 -0.032 0.000 0.280 87 A C -1.613 176.000 177.584 0.048 0.000 1.065 87 A CA -0.413 51.660 52.037 0.060 0.000 0.781 87 A CB 1.094 20.122 19.000 0.047 0.000 1.289 87 A HN 0.933 nan 8.150 nan 0.000 0.415 88 V N 2.547 122.495 119.914 0.056 0.000 2.540 88 V HA 0.353 4.454 4.120 -0.032 0.000 0.302 88 V C 0.157 176.255 176.094 0.007 0.000 1.035 88 V CA -0.626 61.694 62.300 0.032 0.000 0.873 88 V CB 1.775 33.622 31.823 0.041 0.000 0.992 88 V HN 0.943 nan 8.190 nan 0.000 0.428 89 E N 3.791 123.982 120.200 -0.015 0.000 2.373 89 E HA 0.393 4.724 4.350 -0.032 0.000 0.267 89 E C -1.024 175.527 176.600 -0.082 0.000 1.032 89 E CA -0.200 56.174 56.400 -0.044 0.000 0.889 89 E CB 1.085 30.760 29.700 -0.042 0.000 0.984 89 E HN 0.444 nan 8.360 nan 0.000 0.425 90 L N 2.153 123.293 121.223 -0.139 0.000 2.325 90 L HA 0.277 4.598 4.340 -0.032 0.000 0.278 90 L C 0.158 176.910 176.870 -0.195 0.000 1.023 90 L CA -0.673 54.034 54.840 -0.222 0.000 0.811 90 L CB 1.218 43.021 42.059 -0.426 0.000 1.249 90 L HN 0.445 nan 8.230 nan 0.000 0.431 91 D N 1.242 121.532 120.400 -0.184 0.000 2.499 91 D HA 0.053 4.673 4.640 -0.032 0.000 0.225 91 D C 1.311 177.497 176.300 -0.190 0.000 1.124 91 D CA -0.191 53.719 54.000 -0.151 0.000 0.938 91 D CB 1.163 41.897 40.800 -0.111 0.000 1.014 91 D HN 0.719 nan 8.370 nan 0.000 0.517 92 T N 0.435 114.860 114.554 -0.215 0.000 2.778 92 T HA -0.229 4.101 4.350 -0.032 0.000 0.269 92 T C 1.837 176.420 174.700 -0.195 0.000 1.050 92 T CA 1.234 63.194 62.100 -0.234 0.000 1.137 92 T CB -0.140 68.605 68.868 -0.206 0.000 0.860 92 T HN 0.254 nan 8.240 nan 0.000 0.468 93 A N 1.015 123.739 122.820 -0.160 0.000 2.121 93 A HA 0.475 4.776 4.320 -0.032 0.000 0.218 93 A C 2.580 180.055 177.584 -0.183 0.000 1.154 93 A CA 1.577 53.522 52.037 -0.153 0.000 0.679 93 A CB -0.906 18.025 19.000 -0.115 0.000 0.795 93 A HN 0.817 nan 8.150 nan 0.000 0.458 94 A N -1.134 121.580 122.820 -0.178 0.000 1.944 94 A HA 0.166 4.466 4.320 -0.032 0.000 0.207 94 A C 2.110 179.573 177.584 -0.201 0.000 1.265 94 A CA 1.570 53.502 52.037 -0.176 0.000 0.712 94 A CB -0.543 18.389 19.000 -0.114 0.000 0.915 94 A HN 0.620 nan 8.150 nan 0.000 0.470 95 T N -3.172 111.293 114.554 -0.149 0.000 3.086 95 T HA 0.476 4.807 4.350 -0.032 0.000 0.250 95 T C 0.877 175.612 174.700 0.059 0.000 1.074 95 T CA 0.822 62.909 62.100 -0.022 0.000 0.988 95 T CB -0.029 68.828 68.868 -0.019 0.000 0.988 95 T HN 1.892 nan 8.240 nan 0.000 0.530 96 G N 1.063 109.791 108.800 -0.121 0.000 2.629 96 G HA2 0.041 3.982 3.960 -0.032 0.000 0.686 96 G HA3 0.041 3.982 3.960 -0.032 0.000 0.686 96 G C -1.118 173.683 174.900 -0.165 0.000 1.232 96 G CA -1.076 43.994 45.100 -0.050 0.000 0.803 96 G HN 0.254 nan 8.290 nan 0.000 0.638 97 E N -0.287 119.841 120.200 -0.120 0.000 2.349 97 E HA 0.562 4.893 4.350 -0.032 0.000 0.262 97 E C 0.651 177.194 176.600 -0.096 0.000 1.088 97 E CA -0.673 55.634 56.400 -0.154 0.000 0.899 97 E CB 1.174 30.795 29.700 -0.133 0.000 1.044 97 E HN 0.368 nan 8.360 nan 0.000 0.420 98 L N 2.046 123.196 121.223 -0.122 0.000 2.472 98 L HA 0.205 4.526 4.340 -0.032 0.000 0.260 98 L C -2.008 174.857 176.870 -0.009 0.000 1.209 98 L CA -1.376 53.462 54.840 -0.002 0.000 0.817 98 L CB -0.753 41.301 42.059 -0.007 0.000 1.106 98 L HN 0.275 nan 8.230 nan 0.000 0.479 99 P HA 0.011 nan 4.420 nan 0.000 0.268 99 P C -0.876 176.377 177.300 -0.079 0.000 1.208 99 P CA -0.289 62.827 63.100 0.026 0.000 0.777 99 P CB 0.320 32.096 31.700 0.125 0.000 0.875 100 V N 3.522 123.346 119.914 -0.149 0.000 2.655 100 V HA -0.014 4.086 4.120 -0.032 0.000 0.300 100 V C 0.766 176.693 176.094 -0.279 0.000 1.044 100 V CA 0.188 62.294 62.300 -0.324 0.000 1.095 100 V CB -0.314 31.202 31.823 -0.513 0.000 0.952 100 V HN 0.322 nan 8.190 nan 0.000 0.485 101 L N 3.432 124.441 121.223 -0.356 0.000 2.350 101 L HA 0.278 4.599 4.340 -0.032 0.000 0.275 101 L C 1.611 178.347 176.870 -0.224 0.000 1.099 101 L CA -0.060 54.661 54.840 -0.198 0.000 0.808 101 L CB 0.843 42.805 42.059 -0.162 0.000 1.149 101 L HN 0.767 nan 8.230 nan 0.000 0.442 102 E N 1.772 122.039 120.200 0.111 0.000 2.160 102 E HA -0.242 4.088 4.350 -0.032 0.000 0.195 102 E C 1.522 178.275 176.600 0.255 0.000 0.991 102 E CA 1.625 58.267 56.400 0.404 0.000 0.810 102 E CB 0.266 30.229 29.700 0.440 0.000 0.742 102 E HN 0.779 nan 8.360 nan 0.000 0.466 103 E N -0.110 120.147 120.200 0.095 0.000 2.358 103 E HA -0.152 4.179 4.350 -0.032 0.000 0.195 103 E C 1.554 178.173 176.600 0.031 0.000 1.010 103 E CA 0.695 57.146 56.400 0.085 0.000 0.856 103 E CB 0.024 29.760 29.700 0.061 0.000 0.795 103 E HN 0.327 nan 8.360 nan 0.000 0.504 104 E N -0.026 120.114 120.200 -0.099 0.000 2.230 104 E HA -0.040 4.291 4.350 -0.032 0.000 0.192 104 E C 1.278 177.823 176.600 -0.091 0.000 0.987 104 E CA 0.427 56.735 56.400 -0.153 0.000 0.841 104 E CB -0.050 29.468 29.700 -0.303 0.000 0.783 104 E HN 0.257 nan 8.360 nan 0.000 0.481 105 F N 1.868 121.870 119.950 0.087 0.000 2.216 105 F HA -0.147 4.361 4.527 -0.032 0.000 0.300 105 F C 1.982 177.835 175.800 0.089 0.000 1.085 105 F CA 1.123 59.188 58.000 0.109 0.000 1.326 105 F CB -0.343 38.751 39.000 0.156 0.000 1.027 105 F HN 0.030 nan 8.300 nan 0.000 0.497 106 E N -0.433 119.918 120.200 0.252 0.000 2.107 106 E HA -0.145 4.186 4.350 -0.032 0.000 0.191 106 E C 2.373 179.033 176.600 0.099 0.000 0.982 106 E CA 1.139 57.638 56.400 0.165 0.000 0.809 106 E CB -0.616 29.171 29.700 0.144 0.000 0.756 106 E HN 0.252 nan 8.360 nan 0.000 0.459 107 V N 1.201 121.157 119.914 0.071 0.000 2.568 107 V HA -0.227 3.874 4.120 -0.032 0.000 0.253 107 V C 2.105 178.198 176.094 -0.000 0.000 1.072 107 V CA 1.254 63.571 62.300 0.028 0.000 1.084 107 V CB -0.107 31.722 31.823 0.011 0.000 0.676 107 V HN 0.102 nan 8.190 nan 0.000 0.469 108 V N 0.224 120.146 119.914 0.014 0.000 2.233 108 V HA -0.323 3.778 4.120 -0.032 0.000 0.247 108 V C 2.440 178.471 176.094 -0.106 0.000 1.050 108 V CA 2.685 64.961 62.300 -0.040 0.000 1.010 108 V CB -0.819 31.015 31.823 0.018 0.000 0.637 108 V HN 0.763 nan 8.190 nan 0.000 0.444 109 E N -0.240 119.935 120.200 -0.042 0.000 2.077 109 E HA -0.287 4.044 4.350 -0.032 0.000 0.193 109 E C 2.257 178.822 176.600 -0.059 0.000 0.989 109 E CA 1.656 58.023 56.400 -0.056 0.000 0.800 109 E CB -0.131 29.590 29.700 0.035 0.000 0.746 109 E HN 0.716 nan 8.360 nan 0.000 0.452 110 Q N 0.214 120.002 119.800 -0.020 0.000 2.084 110 Q HA -0.166 4.155 4.340 -0.032 0.000 0.202 110 Q C 2.489 178.467 176.000 -0.038 0.000 0.978 110 Q CA 1.484 57.282 55.803 -0.009 0.000 0.844 110 Q CB -0.125 28.620 28.738 0.013 0.000 0.898 110 Q HN 0.381 nan 8.270 nan 0.000 0.426 111 L N 0.311 121.493 121.223 -0.069 0.000 2.056 111 L HA -0.180 4.141 4.340 -0.032 0.000 0.207 111 L C 2.330 179.120 176.870 -0.134 0.000 1.078 111 L CA 0.889 55.678 54.840 -0.084 0.000 0.749 111 L CB -0.390 41.615 42.059 -0.090 0.000 0.901 111 L HN 0.253 nan 8.230 nan 0.000 0.433 112 L N -0.297 120.764 121.223 -0.270 0.000 2.131 112 L HA -0.181 4.140 4.340 -0.032 0.000 0.210 112 L C 2.833 179.596 176.870 -0.179 0.000 1.092 112 L CA 0.873 55.427 54.840 -0.476 0.000 0.759 112 L CB -0.731 40.581 42.059 -1.244 0.000 0.903 112 L HN 0.248 nan 8.230 nan 0.000 0.435 113 A N -0.047 122.739 122.820 -0.056 0.000 2.024 113 A HA -0.206 4.095 4.320 -0.032 0.000 0.220 113 A C 2.112 179.754 177.584 0.096 0.000 1.164 113 A CA 2.224 54.315 52.037 0.090 0.000 0.643 113 A CB -0.713 18.323 19.000 0.060 0.000 0.806 113 A HN 0.519 nan 8.150 nan 0.000 0.451 114 T N -3.440 111.144 114.554 0.050 0.000 3.174 114 T HA 0.196 4.527 4.350 -0.032 0.000 0.269 114 T C -0.022 174.709 174.700 0.051 0.000 1.017 114 T CA -0.004 62.126 62.100 0.049 0.000 0.899 114 T CB -0.055 68.829 68.868 0.027 0.000 1.077 114 T HN 0.326 nan 8.240 nan 0.000 0.552 115 D N 1.468 121.911 120.400 0.072 0.000 2.280 115 D HA 0.158 4.779 4.640 -0.032 0.000 0.243 115 D C 0.715 177.086 176.300 0.119 0.000 1.129 115 D CA -0.152 53.894 54.000 0.076 0.000 0.848 115 D CB 1.479 42.313 40.800 0.056 0.000 1.107 115 D HN 0.282 nan 8.370 nan 0.000 0.471 116 E N 2.803 123.047 120.200 0.074 0.000 2.070 116 E HA -0.241 4.090 4.350 -0.032 0.000 0.197 116 E C 1.878 178.521 176.600 0.072 0.000 1.004 116 E CA 1.348 57.785 56.400 0.062 0.000 0.805 116 E CB 0.253 29.974 29.700 0.035 0.000 0.744 116 E HN 0.478 nan 8.360 nan 0.000 0.451 117 R N 0.002 120.551 120.500 0.081 0.000 2.073 117 R HA -0.141 4.180 4.340 -0.032 0.000 0.234 117 R C 2.253 178.627 176.300 0.124 0.000 1.134 117 R CA 1.484 57.630 56.100 0.078 0.000 0.952 117 R CB -0.400 29.942 30.300 0.069 0.000 0.850 117 R HN 0.427 nan 8.270 nan 0.000 0.433 118 W N 1.468 122.749 121.300 -0.032 0.000 2.355 118 W HA -0.146 4.512 4.660 -0.005 0.000 0.309 118 W C 1.519 178.027 176.519 -0.019 0.000 1.206 118 W CA 1.248 58.577 57.345 -0.027 0.000 1.284 118 W CB -0.130 29.317 29.460 -0.022 0.000 1.145 118 W HN 0.095 nan 8.180 nan 0.000 0.502 119 L N 0.750 122.057 121.223 0.140 0.000 2.083 119 L HA -0.243 4.078 4.340 -0.032 0.000 0.209 119 L C 2.566 179.405 176.870 -0.051 0.000 1.083 119 L CA 1.433 56.290 54.840 0.029 0.000 0.752 119 L CB -0.757 41.345 42.059 0.071 0.000 0.899 119 L HN -0.121 nan 8.230 nan 0.000 0.433 120 K N -0.032 120.348 120.400 -0.033 0.000 2.097 120 K HA -0.128 4.173 4.320 -0.032 0.000 0.206 120 K C 2.245 178.785 176.600 -0.100 0.000 1.049 120 K CA 1.302 57.559 56.287 -0.050 0.000 0.933 120 K CB -0.215 32.269 32.500 -0.026 0.000 0.717 120 K HN 0.280 nan 8.250 nan 0.000 0.442 121 A N 1.404 124.131 122.820 -0.155 0.000 1.898 121 A HA -0.110 4.191 4.320 -0.032 0.000 0.216 121 A C 2.094 179.516 177.584 -0.269 0.000 1.181 121 A CA 1.175 53.079 52.037 -0.222 0.000 0.620 121 A CB -0.538 18.273 19.000 -0.314 0.000 0.819 121 A HN 0.142 nan 8.150 nan 0.000 0.442 122 L N -0.961 120.058 121.223 -0.340 0.000 2.109 122 L HA -0.130 4.191 4.340 -0.032 0.000 0.207 122 L C 3.069 179.845 176.870 -0.156 0.000 1.086 122 L CA 0.911 55.579 54.840 -0.286 0.000 0.760 122 L CB -0.581 41.297 42.059 -0.302 0.000 0.910 122 L HN 0.435 nan 8.230 nan 0.000 0.437 123 A N 0.297 123.046 122.820 -0.118 0.000 1.933 123 A HA -0.145 4.156 4.320 -0.032 0.000 0.218 123 A C 2.515 180.058 177.584 -0.069 0.000 1.175 123 A CA 1.614 53.607 52.037 -0.074 0.000 0.628 123 A CB -0.596 18.372 19.000 -0.052 0.000 0.814 123 A HN 0.386 nan 8.150 nan 0.000 0.444 124 A N -0.382 122.390 122.820 -0.080 0.000 2.019 124 A HA -0.111 4.190 4.320 -0.032 0.000 0.219 124 A C 2.106 179.650 177.584 -0.066 0.000 1.164 124 A CA 1.392 53.388 52.037 -0.067 0.000 0.644 124 A CB -0.322 18.636 19.000 -0.070 0.000 0.805 124 A HN 0.552 nan 8.150 nan 0.000 0.449 125 R N -0.735 119.716 120.500 -0.083 0.000 2.334 125 R HA 0.101 4.421 4.340 -0.032 0.000 0.216 125 R C -0.338 175.925 176.300 -0.063 0.000 0.905 125 R CA 0.160 56.216 56.100 -0.073 0.000 1.064 125 R CB 0.134 30.376 30.300 -0.096 0.000 1.046 125 R HN 0.458 nan 8.270 nan 0.000 0.508 126 N N 1.074 119.738 118.700 -0.060 0.000 2.738 126 N HA -0.178 4.543 4.740 -0.032 0.000 0.249 126 N C -1.089 174.392 175.510 -0.049 0.000 1.047 126 N CA 0.969 53.991 53.050 -0.047 0.000 0.707 126 N CB -1.324 37.142 38.487 -0.035 0.000 0.937 126 N HN 0.272 nan 8.380 nan 0.000 0.545 127 L N 0.074 121.258 121.223 -0.064 0.000 2.322 127 L HA 0.335 4.656 4.340 -0.032 0.000 0.281 127 L C 0.668 177.512 176.870 -0.043 0.000 1.014 127 L CA -0.874 53.929 54.840 -0.061 0.000 0.815 127 L CB 1.624 43.631 42.059 -0.086 0.000 1.247 127 L HN -0.073 nan 8.230 nan 0.000 0.421 128 D N 2.223 122.609 120.400 -0.024 0.000 2.382 128 D HA -0.025 4.596 4.640 -0.032 0.000 0.259 128 D C 0.891 177.198 176.300 0.012 0.000 1.224 128 D CA 0.234 54.232 54.000 -0.004 0.000 0.894 128 D CB 1.825 42.627 40.800 0.003 0.000 1.127 128 D HN 0.332 nan 8.370 nan 0.000 0.487 129 V N 4.134 124.064 119.914 0.027 0.000 2.546 129 V HA -0.270 3.830 4.120 -0.032 0.000 0.254 129 V C 2.140 178.283 176.094 0.082 0.000 1.076 129 V CA 2.832 65.176 62.300 0.072 0.000 1.087 129 V CB -0.407 31.475 31.823 0.099 0.000 0.674 129 V HN 0.723 nan 8.190 nan 0.000 0.470 130 S N -1.187 114.546 115.700 0.056 0.000 2.481 130 S HA -0.094 4.357 4.470 -0.032 0.000 0.231 130 S C 1.715 176.342 174.600 0.045 0.000 0.996 130 S CA 1.079 59.310 58.200 0.052 0.000 0.942 130 S CB -0.340 62.885 63.200 0.040 0.000 0.768 130 S HN 0.740 nan 8.310 nan 0.000 0.520 131 K N 0.605 121.027 120.400 0.037 0.000 2.358 131 K HA 0.294 4.595 4.320 -0.032 0.000 0.197 131 K C -0.636 175.980 176.600 0.028 0.000 1.025 131 K CA -0.052 56.248 56.287 0.021 0.000 1.104 131 K CB 0.875 33.376 32.500 0.002 0.000 0.855 131 K HN 0.205 nan 8.250 nan 0.000 0.531 132 V N 3.530 123.481 119.914 0.062 0.000 2.368 132 V HA 0.180 4.281 4.120 -0.032 0.000 0.266 132 V C 0.201 176.374 176.094 0.132 0.000 1.045 132 V CA -0.677 61.682 62.300 0.098 0.000 0.899 132 V CB 0.619 32.524 31.823 0.137 0.000 1.006 132 V HN 0.159 nan 8.190 nan 0.000 0.470 133 R N 3.367 123.929 120.500 0.103 0.000 2.459 133 R HA 0.614 4.935 4.340 -0.032 0.000 0.281 133 R C -0.771 175.639 176.300 0.184 0.000 1.050 133 R CA -0.486 55.669 56.100 0.092 0.000 1.055 133 R CB 1.803 32.092 30.300 -0.017 0.000 1.045 133 R HN 0.449 nan 8.270 nan 0.000 0.495 134 V N 1.741 121.761 119.914 0.177 0.000 2.444 134 V HA 0.394 4.494 4.120 -0.032 0.000 0.294 134 V C -0.014 176.233 176.094 0.255 0.000 1.022 134 V CA -1.172 61.269 62.300 0.236 0.000 0.850 134 V CB 1.719 33.618 31.823 0.127 0.000 0.992 134 V HN 0.849 nan 8.190 nan 0.000 0.426 135 A N 7.645 130.702 122.820 0.395 0.000 2.347 135 A HA 0.624 4.925 4.320 -0.032 0.000 0.287 135 A C -2.199 175.637 177.584 0.419 0.000 1.199 135 A CA -1.309 50.992 52.037 0.440 0.000 0.851 135 A CB 0.099 19.520 19.000 0.701 0.000 1.118 135 A HN 0.590 nan 8.150 nan 0.000 0.525 136 P HA 0.314 nan 4.420 nan 0.000 0.274 136 P C -0.785 176.831 177.300 0.526 0.000 1.470 136 P CA 0.187 63.537 63.100 0.416 0.000 1.001 136 P CB 0.403 32.414 31.700 0.517 0.000 1.332 137 L N 2.228 123.729 121.223 0.463 0.000 2.344 137 L HA 0.409 4.730 4.340 -0.032 0.000 0.272 137 L C 1.235 178.324 176.870 0.365 0.000 1.035 137 L CA -0.944 54.207 54.840 0.518 0.000 0.807 137 L CB 1.328 43.700 42.059 0.522 0.000 1.237 137 L HN 0.291 nan 8.230 nan 0.000 0.442 138 S N 0.512 116.436 115.700 0.374 0.000 2.566 138 S HA 0.184 4.635 4.470 -0.032 0.000 0.280 138 S C 0.769 175.485 174.600 0.193 0.000 1.343 138 S CA -0.062 58.260 58.200 0.203 0.000 1.036 138 S CB 1.338 64.667 63.200 0.214 0.000 0.866 138 S HN 0.738 nan 8.310 nan 0.000 0.526 139 A N 2.710 125.573 122.820 0.071 0.000 2.044 139 A HA 0.583 4.884 4.320 -0.032 0.000 0.213 139 A C 1.534 179.238 177.584 0.198 0.000 1.169 139 A CA 0.606 52.653 52.037 0.017 0.000 0.724 139 A CB -1.436 17.486 19.000 -0.129 0.000 0.840 139 A HN 2.299 nan 8.150 nan 0.000 0.463 140 G N -1.576 107.306 108.800 0.137 0.000 2.645 140 G HA2 -0.056 3.885 3.960 -0.032 0.000 0.246 140 G HA3 -0.056 3.885 3.960 -0.032 0.000 0.246 140 G C -0.392 174.438 174.900 -0.116 0.000 1.322 140 G CA -0.185 44.949 45.100 0.056 0.000 0.898 140 G HN 1.121 nan 8.290 nan 0.000 0.573 141 V N 0.811 120.450 119.914 -0.459 0.000 2.525 141 V HA 0.762 4.863 4.120 -0.032 0.000 0.299 141 V C -0.133 175.467 176.094 -0.823 0.000 1.034 141 V CA -0.342 61.705 62.300 -0.423 0.000 0.863 141 V CB 1.278 32.925 31.823 -0.294 0.000 0.999 141 V HN 0.721 nan 8.190 nan 0.000 0.423 142 F N 1.633 121.542 119.950 -0.068 0.000 3.336 142 F HA 0.390 4.899 4.527 -0.030 0.000 0.214 142 F C 1.643 177.289 175.800 -0.257 0.000 1.614 142 F CA -0.458 57.452 58.000 -0.150 0.000 0.939 142 F CB 0.273 39.171 39.000 -0.170 0.000 1.865 142 F HN 0.467 nan 8.300 nan 0.000 0.306 143 E N 0.633 120.672 120.200 -0.269 0.000 2.465 143 E HA -0.027 4.304 4.350 -0.032 0.000 0.191 143 E C -1.044 175.366 176.600 -0.318 0.000 1.053 143 E CA 0.291 56.506 56.400 -0.309 0.000 0.869 143 E CB -0.508 29.024 29.700 -0.280 0.000 0.977 143 E HN 0.494 nan 8.360 nan 0.000 0.483 144 Y N 1.091 121.429 120.300 0.063 0.000 2.650 144 Y HA 0.441 4.973 4.550 -0.031 0.000 0.343 144 Y C 1.488 177.388 175.900 0.001 0.000 1.078 144 Y CA -0.367 57.752 58.100 0.032 0.000 1.356 144 Y CB 0.819 39.287 38.460 0.014 0.000 1.204 144 Y HN 0.068 nan 8.280 nan 0.000 0.508 145 A N 2.382 125.266 122.820 0.107 0.000 1.978 145 A HA -0.197 4.104 4.320 -0.032 0.000 0.220 145 A C 2.119 179.730 177.584 0.044 0.000 1.170 145 A CA 1.716 53.782 52.037 0.048 0.000 0.636 145 A CB -0.252 18.766 19.000 0.029 0.000 0.810 145 A HN 0.725 nan 8.150 nan 0.000 0.448 146 E N 0.654 120.896 120.200 0.070 0.000 2.409 146 E HA -0.179 4.152 4.350 -0.032 0.000 0.198 146 E C 1.079 177.691 176.600 0.020 0.000 1.024 146 E CA 1.258 57.681 56.400 0.038 0.000 0.861 146 E CB -0.458 29.267 29.700 0.041 0.000 0.788 146 E HN 0.781 nan 8.360 nan 0.000 0.521 147 E N 0.777 120.998 120.200 0.035 0.000 2.385 147 E HA 0.057 4.388 4.350 -0.032 0.000 0.194 147 E C 0.158 176.741 176.600 -0.029 0.000 1.013 147 E CA -0.222 56.177 56.400 -0.000 0.000 0.866 147 E CB 0.124 29.835 29.700 0.018 0.000 0.832 147 E HN 0.171 nan 8.360 nan 0.000 0.500 148 R N 0.502 120.984 120.500 -0.029 0.000 2.473 148 R HA 0.089 4.410 4.340 -0.032 0.000 0.315 148 R C 0.863 177.125 176.300 -0.064 0.000 0.972 148 R CA 0.777 56.843 56.100 -0.058 0.000 1.047 148 R CB 0.100 30.367 30.300 -0.056 0.000 0.932 148 R HN 0.282 nan 8.270 nan 0.000 0.411 149 G N 2.511 111.261 108.800 -0.083 0.000 2.175 149 G HA2 -0.268 3.673 3.960 -0.032 0.000 0.244 149 G HA3 -0.268 3.673 3.960 -0.032 0.000 0.244 149 G C 0.057 174.915 174.900 -0.070 0.000 0.982 149 G CA -0.346 44.704 45.100 -0.083 0.000 0.641 149 G HN 0.505 nan 8.290 nan 0.000 0.527 150 R N -0.117 120.344 120.500 -0.065 0.000 2.732 150 R HA 0.577 4.898 4.340 -0.032 0.000 0.278 150 R C -0.130 176.127 176.300 -0.071 0.000 0.976 150 R CA -0.947 55.119 56.100 -0.057 0.000 0.963 150 R CB 1.194 31.466 30.300 -0.046 0.000 1.150 150 R HN 0.176 nan 8.270 nan 0.000 0.478 151 R N 1.835 122.295 120.500 -0.068 0.000 2.205 151 R HA 0.298 4.619 4.340 -0.032 0.000 0.342 151 R C -0.381 175.864 176.300 -0.092 0.000 1.058 151 R CA -0.291 55.752 56.100 -0.094 0.000 0.904 151 R CB 0.255 30.488 30.300 -0.112 0.000 1.089 151 R HN 0.289 nan 8.270 nan 0.000 0.471 152 I N 3.235 123.744 120.570 -0.101 0.000 2.648 152 I HA 0.429 4.580 4.170 -0.032 0.000 0.304 152 I C -0.256 175.795 176.117 -0.109 0.000 1.009 152 I CA -0.551 60.685 61.300 -0.107 0.000 1.114 152 I CB 1.640 39.560 38.000 -0.134 0.000 1.293 152 I HN 0.348 nan 8.210 nan 0.000 0.449 153 L N 4.574 125.739 121.223 -0.098 0.000 2.401 153 L HA 0.614 4.934 4.340 -0.032 0.000 0.266 153 L C -0.643 176.169 176.870 -0.096 0.000 0.991 153 L CA -0.864 53.941 54.840 -0.059 0.000 0.818 153 L CB 2.174 44.235 42.059 0.004 0.000 1.321 153 L HN 0.501 nan 8.230 nan 0.000 0.413 154 R N 0.933 121.347 120.500 -0.144 0.000 2.514 154 R HA 0.650 4.971 4.340 -0.032 0.000 0.301 154 R C -0.210 176.090 176.300 -0.001 0.000 0.962 154 R CA -0.693 55.265 56.100 -0.238 0.000 0.882 154 R CB 2.058 31.785 30.300 -0.955 0.000 1.143 154 R HN 0.746 nan 8.270 nan 0.000 0.452 155 G N 2.872 111.706 108.800 0.058 0.000 2.415 155 G HA2 0.593 4.534 3.960 -0.032 0.000 0.327 155 G HA3 0.593 4.534 3.960 -0.032 0.000 0.327 155 G C -0.797 174.288 174.900 0.308 0.000 1.182 155 G CA -0.620 44.582 45.100 0.170 0.000 0.924 155 G HN 0.300 nan 8.290 nan 0.000 0.470 156 L N 1.348 122.828 121.223 0.428 0.000 2.346 156 L HA 0.687 5.008 4.340 -0.032 0.000 0.276 156 L C 0.491 177.529 176.870 0.280 0.000 1.006 156 L CA -1.015 54.061 54.840 0.393 0.000 0.817 156 L CB 2.176 44.558 42.059 0.538 0.000 1.272 156 L HN 0.631 nan 8.230 nan 0.000 0.421 157 A N 2.938 125.803 122.820 0.075 0.000 2.304 157 A HA 0.847 5.148 4.320 -0.032 0.000 0.301 157 A C -1.168 176.113 177.584 -0.506 0.000 1.132 157 A CA -0.142 51.903 52.037 0.013 0.000 0.819 157 A CB 0.460 19.537 19.000 0.129 0.000 1.094 157 A HN 0.508 nan 8.150 nan 0.000 0.492 158 F N 0.678 120.626 119.950 -0.003 0.000 2.581 158 F HA 0.424 4.933 4.527 -0.029 0.000 0.311 158 F C -0.181 175.579 175.800 -0.066 0.000 1.113 158 F CA -0.677 57.269 58.000 -0.089 0.000 0.935 158 F CB 2.260 41.089 39.000 -0.284 0.000 1.232 158 F HN 0.322 nan 8.300 nan 0.000 0.445 159 V N 2.660 122.656 119.914 0.135 0.000 2.498 159 V HA 0.320 4.421 4.120 -0.032 0.000 0.279 159 V C -0.324 175.810 176.094 0.068 0.000 1.048 159 V CA -0.537 61.799 62.300 0.060 0.000 0.967 159 V CB 1.395 33.208 31.823 -0.016 0.000 0.988 159 V HN 0.774 nan 8.190 nan 0.000 0.473 160 Q N 2.841 122.628 119.800 -0.021 0.000 2.381 160 Q HA 0.242 4.563 4.340 -0.032 0.000 0.263 160 Q C 0.038 175.960 176.000 -0.131 0.000 1.030 160 Q CA -0.631 55.115 55.803 -0.095 0.000 0.772 160 Q CB 1.268 29.934 28.738 -0.120 0.000 1.232 160 Q HN 0.774 nan 8.270 nan 0.000 0.476 161 D N 3.515 123.791 120.400 -0.207 0.000 2.178 161 D HA -0.034 4.587 4.640 -0.032 0.000 0.201 161 D C 0.137 176.487 176.300 0.082 0.000 0.980 161 D CA 1.325 55.274 54.000 -0.086 0.000 0.842 161 D CB 0.104 40.899 40.800 -0.008 0.000 0.948 161 D HN 0.447 nan 8.370 nan 0.000 0.472 162 F N -4.338 115.607 119.950 -0.009 0.000 2.711 162 F HA 0.397 4.901 4.527 -0.037 0.000 0.313 162 F C -2.390 173.402 175.800 -0.013 0.000 1.141 162 F CA -2.235 55.756 58.000 -0.015 0.000 0.941 162 F CB 0.532 39.517 39.000 -0.025 0.000 1.349 162 F HN -0.420 nan 8.300 nan 0.000 0.464 163 P HA -0.178 nan 4.420 nan 0.000 0.217 163 P C 0.346 177.680 177.300 0.057 0.000 1.158 163 P CA 2.198 65.356 63.100 0.097 0.000 0.887 163 P CB 0.132 31.900 31.700 0.112 0.000 0.792 164 E N -1.514 118.793 120.200 0.179 0.000 2.465 164 E HA 0.072 4.403 4.350 -0.032 0.000 0.191 164 E C 0.037 176.574 176.600 -0.104 0.000 1.053 164 E CA -0.012 56.445 56.400 0.094 0.000 0.869 164 E CB -0.697 29.115 29.700 0.187 0.000 0.977 164 E HN 0.314 nan 8.360 nan 0.000 0.483 165 D N 0.010 120.088 120.400 -0.537 0.000 2.345 165 D HA 0.062 4.683 4.640 -0.032 0.000 0.247 165 D C -0.503 175.582 176.300 -0.359 0.000 1.108 165 D CA -0.103 53.411 54.000 -0.810 0.000 0.894 165 D CB 0.926 40.868 40.800 -1.430 0.000 1.203 165 D HN -0.129 nan 8.370 nan 0.000 0.430 166 S N 2.429 117.983 115.700 -0.242 0.000 2.411 166 S HA 0.408 4.859 4.470 -0.032 0.000 0.304 166 S C 1.102 175.620 174.600 -0.137 0.000 1.098 166 S CA -0.228 57.901 58.200 -0.119 0.000 1.068 166 S CB 0.170 63.349 63.200 -0.036 0.000 1.032 166 S HN 0.517 nan 8.310 nan 0.000 0.511 167 A N 4.954 127.591 122.820 -0.305 0.000 2.024 167 A HA -0.063 4.238 4.320 -0.032 0.000 0.220 167 A C 1.441 178.860 177.584 -0.275 0.000 1.164 167 A CA 1.099 52.961 52.037 -0.291 0.000 0.643 167 A CB -0.783 17.949 19.000 -0.447 0.000 0.806 167 A HN 0.995 nan 8.150 nan 0.000 0.451 168 W N -0.221 121.028 121.300 -0.087 0.000 2.387 168 W HA -0.006 4.639 4.660 -0.024 0.000 0.272 168 W C 2.348 178.958 176.519 0.151 0.000 1.224 168 W CA 0.746 58.026 57.345 -0.109 0.000 1.210 168 W CB -0.159 29.251 29.460 -0.083 0.000 1.125 168 W HN 0.376 nan 8.180 nan 0.000 0.572 169 A N -0.611 122.360 122.820 0.251 0.000 2.167 169 A HA -0.033 4.268 4.320 -0.032 0.000 0.214 169 A C 0.126 177.543 177.584 -0.277 0.000 1.151 169 A CA 0.699 52.783 52.037 0.079 0.000 0.735 169 A CB -0.810 18.183 19.000 -0.013 0.000 0.802 169 A HN 0.478 nan 8.150 nan 0.000 0.467 170 H N -0.080 119.115 119.070 0.208 0.000 2.386 170 H HA 0.255 4.804 4.556 -0.012 0.000 0.232 170 H C -2.798 172.584 175.328 0.089 0.000 1.416 170 H CA -1.987 54.131 56.048 0.116 0.000 1.285 170 H CB 0.461 30.265 29.762 0.069 0.000 1.625 170 H HN 0.283 nan 8.280 nan 0.000 0.521 171 P HA -0.001 nan 4.420 nan 0.000 0.275 171 P C -0.001 177.158 177.300 -0.234 0.000 1.228 171 P CA -0.244 62.715 63.100 -0.234 0.000 0.786 171 P CB 2.153 33.757 31.700 -0.160 0.000 0.927 172 V N 3.436 123.128 119.914 -0.369 0.000 2.240 172 V HA 0.138 4.239 4.120 -0.032 0.000 0.265 172 V C 0.711 176.658 176.094 -0.245 0.000 1.073 172 V CA -0.309 61.853 62.300 -0.229 0.000 0.857 172 V CB 0.152 31.844 31.823 -0.219 0.000 1.114 172 V HN 0.539 nan 8.190 nan 0.000 0.469 173 D N 2.976 123.225 120.400 -0.252 0.000 2.371 173 D HA 0.352 4.973 4.640 -0.032 0.000 0.242 173 D C 1.367 177.503 176.300 -0.273 0.000 1.218 173 D CA 1.456 55.201 54.000 -0.426 0.000 0.945 173 D CB 1.617 41.880 40.800 -0.894 0.000 1.137 173 D HN 0.729 nan 8.370 nan 0.000 0.464 174 G N 0.042 108.653 108.800 -0.315 0.000 2.162 174 G HA2 -0.229 3.712 3.960 -0.032 0.000 0.260 174 G HA3 -0.229 3.712 3.960 -0.032 0.000 0.260 174 G C -0.056 174.869 174.900 0.041 0.000 0.976 174 G CA 0.698 45.844 45.100 0.077 0.000 0.655 174 G HN 0.489 nan 8.290 nan 0.000 0.533 175 L N -0.153 121.057 121.223 -0.020 0.000 2.431 175 L HA 0.930 5.250 4.340 -0.032 0.000 0.266 175 L C -0.676 176.256 176.870 0.103 0.000 0.978 175 L CA -1.046 53.789 54.840 -0.008 0.000 0.822 175 L CB 2.415 44.386 42.059 -0.146 0.000 1.310 175 L HN 0.660 nan 8.230 nan 0.000 0.409 176 V N 3.806 123.815 119.914 0.159 0.000 3.077 176 V HA 0.965 5.066 4.120 -0.032 0.000 0.299 176 V C -1.449 174.697 176.094 0.086 0.000 1.276 176 V CA 0.320 62.750 62.300 0.217 0.000 0.993 176 V CB 2.103 34.077 31.823 0.251 0.000 1.076 176 V HN 1.230 nan 8.190 nan 0.000 0.434 177 A N 4.681 127.534 122.820 0.055 0.000 2.454 177 A HA 0.977 5.278 4.320 -0.032 0.000 0.302 177 A C -2.076 175.460 177.584 -0.080 0.000 1.079 177 A CA -0.471 51.484 52.037 -0.136 0.000 0.731 177 A CB 1.775 20.674 19.000 -0.168 0.000 1.299 177 A HN 0.871 nan 8.150 nan 0.000 0.413 178 Y N 0.098 120.271 120.300 -0.212 0.000 2.393 178 Y HA 0.633 5.165 4.550 -0.030 0.000 0.341 178 Y C -0.128 175.652 175.900 -0.200 0.000 0.988 178 Y CA -1.627 56.319 58.100 -0.258 0.000 1.078 178 Y CB 1.810 40.076 38.460 -0.324 0.000 1.203 178 Y HN 0.380 nan 8.280 nan 0.000 0.453 179 V N 2.820 122.722 119.914 -0.020 0.000 2.709 179 V HA 0.259 4.360 4.120 -0.032 0.000 0.308 179 V C -0.791 175.268 176.094 -0.058 0.000 1.062 179 V CA -1.075 61.190 62.300 -0.057 0.000 0.901 179 V CB 2.357 34.129 31.823 -0.083 0.000 1.003 179 V HN 0.681 nan 8.190 nan 0.000 0.425 180 D N 3.043 123.412 120.400 -0.052 0.000 2.380 180 D HA 0.164 4.785 4.640 -0.032 0.000 0.230 180 D C 0.968 177.242 176.300 -0.043 0.000 1.154 180 D CA -0.222 53.749 54.000 -0.048 0.000 0.859 180 D CB 1.931 42.709 40.800 -0.038 0.000 1.045 180 D HN 0.461 nan 8.370 nan 0.000 0.495 181 V N 2.580 122.464 119.914 -0.050 0.000 3.444 181 V HA -0.094 4.007 4.120 -0.032 0.000 0.271 181 V C 1.619 177.706 176.094 -0.011 0.000 1.188 181 V CA 1.296 63.572 62.300 -0.041 0.000 1.168 181 V CB -0.750 31.030 31.823 -0.071 0.000 0.810 181 V HN 0.476 nan 8.190 nan 0.000 0.500 182 V N -1.106 118.808 119.914 -0.001 0.000 2.690 182 V HA 0.100 4.201 4.120 -0.032 0.000 0.240 182 V C 2.466 178.563 176.094 0.004 0.000 1.078 182 V CA 1.407 63.722 62.300 0.025 0.000 1.102 182 V CB -0.556 31.295 31.823 0.046 0.000 0.800 182 V HN 0.569 nan 8.190 nan 0.000 0.479 183 S N -0.381 115.315 115.700 -0.008 0.000 2.561 183 S HA 0.083 4.533 4.470 -0.032 0.000 0.225 183 S C 0.923 175.515 174.600 -0.013 0.000 0.977 183 S CA 0.399 58.592 58.200 -0.012 0.000 0.926 183 S CB -0.773 62.417 63.200 -0.016 0.000 0.769 183 S HN 0.699 nan 8.310 nan 0.000 0.533 184 K N 1.364 121.755 120.400 -0.015 0.000 3.653 184 K HA -0.158 4.143 4.320 -0.032 0.000 0.275 184 K C -1.035 175.550 176.600 -0.026 0.000 0.962 184 K CA 0.894 57.169 56.287 -0.020 0.000 0.773 184 K CB -1.693 30.800 32.500 -0.011 0.000 1.463 184 K HN 0.727 nan 8.250 nan 0.000 0.450 185 E N -0.240 119.941 120.200 -0.032 0.000 2.317 185 E HA 0.371 4.702 4.350 -0.032 0.000 0.270 185 E C -0.585 175.986 176.600 -0.047 0.000 0.885 185 E CA -1.123 55.256 56.400 -0.034 0.000 0.760 185 E CB 2.300 31.984 29.700 -0.027 0.000 1.227 185 E HN -0.033 nan 8.360 nan 0.000 0.434 186 V N 2.624 122.507 119.914 -0.052 0.000 2.353 186 V HA 0.015 4.116 4.120 -0.032 0.000 0.264 186 V C 1.391 177.454 176.094 -0.053 0.000 1.049 186 V CA 0.204 62.463 62.300 -0.068 0.000 0.896 186 V CB 0.398 32.173 31.823 -0.080 0.000 1.025 186 V HN 0.965 nan 8.190 nan 0.000 0.475 187 T N 2.377 116.903 114.554 -0.046 0.000 2.995 187 T HA 0.059 4.390 4.350 -0.032 0.000 0.269 187 T C 0.783 175.443 174.700 -0.067 0.000 1.091 187 T CA 0.520 62.596 62.100 -0.039 0.000 1.128 187 T CB 0.312 69.167 68.868 -0.022 0.000 0.891 187 T HN 0.524 nan 8.240 nan 0.000 0.492 188 R N -0.825 119.604 120.500 -0.118 0.000 2.728 188 R HA 0.535 4.856 4.340 -0.032 0.000 0.259 188 R C -2.569 173.562 176.300 -0.281 0.000 1.057 188 R CA -0.589 55.380 56.100 -0.218 0.000 0.908 188 R CB 1.968 32.069 30.300 -0.332 0.000 1.259 188 R HN 0.082 nan 8.270 nan 0.000 0.472 189 V N 5.143 124.941 119.914 -0.193 0.000 2.482 189 V HA 0.493 4.594 4.120 -0.032 0.000 0.295 189 V C -0.409 175.614 176.094 -0.117 0.000 1.026 189 V CA -0.570 61.673 62.300 -0.094 0.000 0.856 189 V CB 1.773 33.638 31.823 0.070 0.000 1.001 189 V HN 0.567 nan 8.190 nan 0.000 0.424 190 I N 4.071 124.555 120.570 -0.143 0.000 2.362 190 I HA 0.462 4.613 4.170 -0.032 0.000 0.289 190 I C -0.769 175.334 176.117 -0.024 0.000 0.994 190 I CA -0.187 61.055 61.300 -0.096 0.000 1.158 190 I CB 1.720 39.642 38.000 -0.129 0.000 1.315 190 I HN 0.507 nan 8.210 nan 0.000 0.451 191 D N 4.808 125.200 120.400 -0.014 0.000 2.454 191 D HA 0.147 4.768 4.640 -0.032 0.000 0.247 191 D C 0.845 177.157 176.300 0.021 0.000 1.129 191 D CA -0.321 53.677 54.000 -0.003 0.000 0.877 191 D CB 1.474 42.256 40.800 -0.030 0.000 1.082 191 D HN 0.625 nan 8.370 nan 0.000 0.537 192 T N 0.376 114.966 114.554 0.061 0.000 3.129 192 T HA 0.474 4.805 4.350 -0.032 0.000 0.251 192 T C 0.892 175.639 174.700 0.078 0.000 1.117 192 T CA 0.260 62.407 62.100 0.078 0.000 1.034 192 T CB 0.091 69.030 68.868 0.119 0.000 0.968 192 T HN 0.556 nan 8.240 nan 0.000 0.526 193 G N 0.114 108.955 108.800 0.069 0.000 2.335 193 G HA2 0.259 4.199 3.960 -0.032 0.000 0.592 193 G HA3 0.259 4.199 3.960 -0.032 0.000 0.592 193 G C -1.196 173.731 174.900 0.045 0.000 1.442 193 G CA -0.722 44.378 45.100 0.000 0.000 0.976 193 G HN 0.313 nan 8.290 nan 0.000 0.652 194 V N 0.845 120.726 119.914 -0.053 0.000 2.583 194 V HA 0.672 4.773 4.120 -0.032 0.000 0.287 194 V C -0.097 175.943 176.094 -0.089 0.000 1.051 194 V CA 0.138 62.434 62.300 -0.007 0.000 1.010 194 V CB 0.881 32.675 31.823 -0.048 0.000 0.988 194 V HN 0.558 nan 8.190 nan 0.000 0.478 195 F N 3.823 123.737 119.950 -0.058 0.000 2.551 195 F HA 0.568 5.068 4.527 -0.045 0.000 0.316 195 F C -2.075 173.700 175.800 -0.042 0.000 1.089 195 F CA -2.484 55.487 58.000 -0.047 0.000 0.915 195 F CB 1.622 40.593 39.000 -0.049 0.000 1.186 195 F HN 0.324 nan 8.300 nan 0.000 0.456 196 P HA 0.137 nan 4.420 nan 0.000 0.268 196 P C -0.894 176.463 177.300 0.094 0.000 1.205 196 P CA -0.171 62.979 63.100 0.083 0.000 0.771 196 P CB 0.568 32.307 31.700 0.066 0.000 0.858 197 V N 6.347 126.297 119.914 0.061 0.000 2.432 197 V HA 0.174 4.275 4.120 -0.032 0.000 0.271 197 V C -1.877 174.277 176.094 0.099 0.000 1.046 197 V CA -1.578 60.759 62.300 0.062 0.000 0.945 197 V CB 0.529 32.371 31.823 0.032 0.000 0.992 197 V HN 0.578 nan 8.190 nan 0.000 0.471 198 P HA 0.015 nan 4.420 nan 0.000 0.260 198 P C 0.463 177.919 177.300 0.260 0.000 1.172 198 P CA 0.398 63.579 63.100 0.134 0.000 0.760 198 P CB 0.749 32.488 31.700 0.066 0.000 0.773 199 A N 3.730 126.665 122.820 0.193 0.000 1.943 199 A HA -0.036 4.265 4.320 -0.032 0.000 0.213 199 A C 0.857 178.617 177.584 0.293 0.000 1.181 199 A CA 0.561 52.724 52.037 0.209 0.000 0.653 199 A CB -0.508 18.561 19.000 0.116 0.000 0.833 199 A HN 0.553 nan 8.150 nan 0.000 0.451 200 E N 0.695 121.023 120.200 0.214 0.000 2.442 200 E HA 0.170 4.501 4.350 -0.032 0.000 0.262 200 E C -0.244 176.517 176.600 0.268 0.000 1.004 200 E CA 0.084 56.593 56.400 0.182 0.000 0.928 200 E CB 0.280 30.044 29.700 0.106 0.000 0.937 200 E HN 0.767 nan 8.360 nan 0.000 0.446 201 H N -0.296 118.936 119.070 0.270 0.000 2.508 201 H HA 0.467 5.002 4.556 -0.036 0.000 0.358 201 H C 0.481 175.906 175.328 0.160 0.000 1.212 201 H CA -0.807 55.371 56.048 0.218 0.000 1.356 201 H CB 1.153 31.053 29.762 0.230 0.000 1.525 201 H HN 0.471 nan 8.280 nan 0.000 0.578 202 G N 1.426 110.383 108.800 0.261 0.000 4.547 202 G HA2 0.054 3.995 3.960 -0.032 0.000 0.301 202 G HA3 0.054 3.995 3.960 -0.032 0.000 0.301 202 G C -0.662 174.216 174.900 -0.037 0.000 1.240 202 G CA -0.671 44.438 45.100 0.015 0.000 0.970 202 G HN 0.631 nan 8.290 nan 0.000 0.574 203 N N 1.730 120.564 118.700 0.223 0.000 2.482 203 N HA 0.101 4.822 4.740 -0.032 0.000 0.242 203 N C 0.766 176.193 175.510 -0.138 0.000 1.100 203 N CA -0.390 52.571 53.050 -0.150 0.000 0.946 203 N CB 0.623 39.027 38.487 -0.138 0.000 1.227 203 N HN 0.545 nan 8.380 nan 0.000 0.508 204 Y N -0.311 119.976 120.300 -0.021 0.000 2.680 204 Y HA -0.014 4.518 4.550 -0.031 0.000 0.303 204 Y C 1.679 177.572 175.900 -0.011 0.000 1.166 204 Y CA 0.240 58.315 58.100 -0.043 0.000 1.344 204 Y CB -0.645 37.751 38.460 -0.108 0.000 1.002 204 Y HN 0.298 nan 8.280 nan 0.000 0.537 205 T N -4.242 110.285 114.554 -0.045 0.000 3.044 205 T HA 0.070 4.401 4.350 -0.032 0.000 0.260 205 T C 0.043 174.745 174.700 0.002 0.000 1.019 205 T CA -0.268 61.841 62.100 0.015 0.000 0.921 205 T CB -0.123 68.740 68.868 -0.008 0.000 1.053 205 T HN 0.196 nan 8.240 nan 0.000 0.533 206 D N 2.796 123.198 120.400 0.003 0.000 2.336 206 D HA 0.255 4.876 4.640 -0.032 0.000 0.249 206 D C -1.669 174.663 176.300 0.052 0.000 1.213 206 D CA -2.416 51.593 54.000 0.015 0.000 0.870 206 D CB 1.831 42.633 40.800 0.004 0.000 1.076 206 D HN -0.009 nan 8.370 nan 0.000 0.483 207 P HA -0.177 nan 4.420 nan 0.000 0.218 207 P C 1.047 178.378 177.300 0.052 0.000 1.146 207 P CA 0.951 64.072 63.100 0.036 0.000 0.820 207 P CB 0.245 31.957 31.700 0.019 0.000 0.778 208 E N -0.839 119.403 120.200 0.069 0.000 2.153 208 E HA -0.196 4.135 4.350 -0.032 0.000 0.194 208 E C 1.652 178.316 176.600 0.106 0.000 0.988 208 E CA 0.890 57.345 56.400 0.092 0.000 0.811 208 E CB -0.338 29.440 29.700 0.130 0.000 0.746 208 E HN 0.118 nan 8.360 nan 0.000 0.466 209 L N 0.266 121.569 121.223 0.133 0.000 2.221 209 L HA 0.005 4.326 4.340 -0.032 0.000 0.202 209 L C 2.497 179.407 176.870 0.067 0.000 1.074 209 L CA 1.943 56.845 54.840 0.103 0.000 0.795 209 L CB -0.408 41.741 42.059 0.151 0.000 0.960 209 L HN 0.233 nan 8.230 nan 0.000 0.458 210 T N -2.565 112.030 114.554 0.068 0.000 2.904 210 T HA 0.349 4.680 4.350 -0.032 0.000 0.267 210 T C 1.202 175.925 174.700 0.037 0.000 1.059 210 T CA 0.559 62.689 62.100 0.050 0.000 1.137 210 T CB -0.837 68.061 68.868 0.050 0.000 0.879 210 T HN 0.752 nan 8.240 nan 0.000 0.467 211 G N 1.829 110.653 108.800 0.038 0.000 2.741 211 G HA2 -0.045 3.896 3.960 -0.032 0.000 0.222 211 G HA3 -0.045 3.896 3.960 -0.032 0.000 0.222 211 G C -2.893 172.022 174.900 0.024 0.000 1.364 211 G CA -0.730 44.388 45.100 0.030 0.000 0.866 211 G HN 0.524 nan 8.290 nan 0.000 0.555 212 P HA 0.431 nan 4.420 nan 0.000 0.267 212 P C 0.118 177.426 177.300 0.014 0.000 1.205 212 P CA -0.406 62.703 63.100 0.015 0.000 0.765 212 P CB 0.466 32.174 31.700 0.012 0.000 0.828 213 L N 3.931 125.161 121.223 0.013 0.000 2.426 213 L HA 0.151 4.472 4.340 -0.032 0.000 0.271 213 L C 1.274 178.149 176.870 0.008 0.000 1.169 213 L CA 0.376 55.223 54.840 0.011 0.000 0.836 213 L CB -0.141 41.925 42.059 0.011 0.000 1.112 213 L HN 0.298 nan 8.230 nan 0.000 0.465 214 R N 0.818 121.322 120.500 0.006 0.000 2.679 214 R HA 0.197 4.518 4.340 -0.032 0.000 0.268 214 R C 0.472 176.774 176.300 0.003 0.000 1.044 214 R CA 0.603 56.705 56.100 0.003 0.000 1.105 214 R CB 0.041 30.342 30.300 0.001 0.000 0.989 214 R HN 0.785 nan 8.270 nan 0.000 0.447 215 T N -3.672 110.883 114.554 0.002 0.000 3.231 215 T HA 0.020 4.351 4.350 -0.032 0.000 0.292 215 T C 1.098 175.798 174.700 0.000 0.000 1.001 215 T CA -0.124 61.977 62.100 0.001 0.000 0.920 215 T CB 0.332 69.201 68.868 0.002 0.000 1.140 215 T HN 0.675 nan 8.240 nan 0.000 0.525 216 T N -0.933 113.620 114.554 -0.001 0.000 3.065 216 T HA 0.186 4.517 4.350 -0.032 0.000 0.252 216 T C 0.667 175.365 174.700 -0.003 0.000 1.099 216 T CA -0.173 61.926 62.100 -0.002 0.000 1.063 216 T CB -0.255 68.611 68.868 -0.003 0.000 0.948 216 T HN 0.435 nan 8.240 nan 0.000 0.506 217 Q N 2.267 122.065 119.800 -0.003 0.000 2.323 217 Q HA 0.293 4.614 4.340 -0.032 0.000 0.257 217 Q C -0.404 175.594 176.000 -0.003 0.000 1.022 217 Q CA -0.395 55.406 55.803 -0.004 0.000 0.919 217 Q CB 0.821 29.557 28.738 -0.005 0.000 1.220 217 Q HN 0.186 nan 8.270 nan 0.000 0.427 218 K N 3.344 123.741 120.400 -0.003 0.000 2.154 218 K HA 0.378 4.679 4.320 -0.032 0.000 0.264 218 K C -1.912 174.687 176.600 -0.002 0.000 1.008 218 K CA -1.741 54.544 56.287 -0.002 0.000 0.937 218 K CB 0.097 32.595 32.500 -0.003 0.000 1.002 218 K HN 0.494 nan 8.250 nan 0.000 0.469 219 P HA 0.288 nan 4.420 nan 0.000 0.272 219 P C -0.492 176.809 177.300 0.002 0.000 1.223 219 P CA -0.160 62.941 63.100 0.001 0.000 0.784 219 P CB 0.662 32.364 31.700 0.003 0.000 0.923 220 I N 1.026 121.597 120.570 0.003 0.000 2.410 220 I HA 0.152 4.303 4.170 -0.032 0.000 0.286 220 I C 0.320 176.442 176.117 0.009 0.000 1.009 220 I CA -0.564 60.738 61.300 0.005 0.000 1.111 220 I CB 1.784 39.786 38.000 0.004 0.000 1.262 220 I HN 0.285 nan 8.210 nan 0.000 0.443 221 S N 7.242 122.948 115.700 0.010 0.000 2.429 221 S HA 0.631 5.082 4.470 -0.032 0.000 0.302 221 S C -0.684 173.927 174.600 0.019 0.000 1.115 221 S CA -0.420 57.789 58.200 0.014 0.000 1.095 221 S CB 0.262 63.469 63.200 0.012 0.000 0.987 221 S HN 0.369 nan 8.310 nan 0.000 0.474 222 I N 5.089 125.673 120.570 0.024 0.000 2.382 222 I HA 0.409 4.560 4.170 -0.032 0.000 0.285 222 I C 0.464 176.601 176.117 0.034 0.000 1.007 222 I CA 0.014 61.335 61.300 0.035 0.000 1.142 222 I CB 1.633 39.660 38.000 0.045 0.000 1.289 222 I HN 0.730 nan 8.210 nan 0.000 0.453 223 T N 2.071 116.646 114.554 0.036 0.000 2.865 223 T HA 0.661 4.992 4.350 -0.032 0.000 0.294 223 T C -0.704 174.019 174.700 0.038 0.000 1.119 223 T CA -0.893 61.226 62.100 0.032 0.000 1.007 223 T CB 1.956 70.838 68.868 0.023 0.000 1.225 223 T HN 0.446 nan 8.240 nan 0.000 0.515 224 Q N 1.005 120.824 119.800 0.032 0.000 2.616 224 Q HA 0.276 4.597 4.340 -0.032 0.000 0.250 224 Q C -2.193 173.816 176.000 0.015 0.000 0.991 224 Q CA -1.903 53.919 55.803 0.030 0.000 0.707 224 Q CB 1.963 30.722 28.738 0.035 0.000 1.247 224 Q HN 0.506 nan 8.270 nan 0.000 0.491 225 P HA -0.209 nan 4.420 nan 0.000 0.217 225 P C 0.099 177.401 177.300 0.003 0.000 1.148 225 P CA 1.439 64.545 63.100 0.009 0.000 0.834 225 P CB 0.361 32.068 31.700 0.011 0.000 0.783 226 E N -1.231 118.970 120.200 0.002 0.000 2.501 226 E HA 0.373 4.704 4.350 -0.032 0.000 0.200 226 E C 0.796 177.384 176.600 -0.019 0.000 1.016 226 E CA 0.002 56.399 56.400 -0.005 0.000 0.921 226 E CB 0.224 29.923 29.700 -0.001 0.000 1.034 226 E HN 0.128 nan 8.360 nan 0.000 0.468 227 G N 2.955 111.741 108.800 -0.023 0.000 2.757 227 G HA2 -0.191 3.750 3.960 -0.032 0.000 0.638 227 G HA3 -0.191 3.750 3.960 -0.032 0.000 0.638 227 G C -2.724 172.129 174.900 -0.080 0.000 1.344 227 G CA -0.895 44.170 45.100 -0.057 0.000 0.855 227 G HN 0.013 nan 8.290 nan 0.000 0.537 228 P HA 0.357 nan 4.420 nan 0.000 0.274 228 P C 0.556 177.743 177.300 -0.188 0.000 1.237 228 P CA 0.106 63.042 63.100 -0.273 0.000 0.793 228 P CB 1.287 32.474 31.700 -0.856 0.000 0.977 229 S N 0.214 115.942 115.700 0.047 0.000 2.558 229 S HA 0.117 4.568 4.470 -0.032 0.000 0.217 229 S C 0.668 175.444 174.600 0.294 0.000 0.975 229 S CA 0.088 58.388 58.200 0.167 0.000 0.912 229 S CB -0.771 62.586 63.200 0.262 0.000 0.776 229 S HN 0.566 nan 8.310 nan 0.000 0.526 230 F N 1.824 121.976 119.950 0.337 0.000 2.432 230 F HA 0.755 5.263 4.527 -0.032 0.000 0.329 230 F C 0.094 175.991 175.800 0.160 0.000 1.076 230 F CA -1.146 57.041 58.000 0.313 0.000 1.018 230 F CB 0.433 39.589 39.000 0.261 0.000 1.201 230 F HN -0.143 nan 8.300 nan 0.000 0.489 231 T N -0.063 114.707 114.554 0.360 0.000 2.856 231 T HA 0.732 5.063 4.350 -0.032 0.000 0.283 231 T C -1.153 173.725 174.700 0.297 0.000 1.008 231 T CA -0.790 61.444 62.100 0.224 0.000 0.997 231 T CB 1.443 70.405 68.868 0.157 0.000 0.992 231 T HN 0.682 nan 8.240 nan 0.000 0.454 232 V N 3.707 123.762 119.914 0.236 0.000 2.378 232 V HA 0.683 4.784 4.120 -0.032 0.000 0.288 232 V C 0.411 176.604 176.094 0.165 0.000 1.016 232 V CA -0.623 61.806 62.300 0.215 0.000 0.840 232 V CB 1.149 33.102 31.823 0.216 0.000 0.994 232 V HN 1.280 nan 8.190 nan 0.000 0.431 233 T N 0.243 114.908 114.554 0.185 0.000 2.916 233 T HA 0.682 5.013 4.350 -0.032 0.000 0.292 233 T C 0.819 175.602 174.700 0.138 0.000 1.055 233 T CA -0.047 62.138 62.100 0.141 0.000 1.009 233 T CB 1.793 70.735 68.868 0.123 0.000 1.118 233 T HN 1.704 nan 8.240 nan 0.000 0.497 234 G N -0.084 108.770 108.800 0.089 0.000 2.203 234 G HA2 0.103 4.044 3.960 -0.032 0.000 0.263 234 G HA3 0.103 4.044 3.960 -0.032 0.000 0.263 234 G C 1.342 176.297 174.900 0.092 0.000 1.012 234 G CA 0.996 46.143 45.100 0.079 0.000 0.749 234 G HN 2.404 nan 8.290 nan 0.000 0.512 235 G N -0.065 108.790 108.800 0.092 0.000 2.550 235 G HA2 -0.297 3.644 3.960 -0.032 0.000 0.233 235 G HA3 -0.297 3.644 3.960 -0.032 0.000 0.233 235 G C 0.911 175.866 174.900 0.092 0.000 1.170 235 G CA 1.298 46.448 45.100 0.084 0.000 0.693 235 G HN 2.203 nan 8.290 nan 0.000 0.512 236 N N -0.344 118.423 118.700 0.111 0.000 2.217 236 N HA 0.115 4.836 4.740 -0.032 0.000 0.239 236 N C -0.286 175.289 175.510 0.108 0.000 1.330 236 N CA 0.097 53.205 53.050 0.095 0.000 0.838 236 N CB -0.316 38.222 38.487 0.086 0.000 1.287 236 N HN 0.592 nan 8.380 nan 0.000 0.498 237 H N 1.609 120.715 119.070 0.060 0.000 2.552 237 H HA 0.330 4.867 4.556 -0.032 0.000 0.311 237 H C -0.748 174.622 175.328 0.072 0.000 1.071 237 H CA -0.288 55.794 56.048 0.056 0.000 1.307 237 H CB 0.998 30.797 29.762 0.060 0.000 1.416 237 H HN -0.022 nan 8.280 nan 0.000 0.464 238 I N 4.531 124.896 120.570 -0.341 0.000 2.412 238 I HA 0.248 4.399 4.170 -0.032 0.000 0.296 238 I C 0.136 176.177 176.117 -0.126 0.000 0.987 238 I CA -0.556 60.663 61.300 -0.137 0.000 1.180 238 I CB 1.592 39.502 38.000 -0.149 0.000 1.340 238 I HN 0.586 nan 8.210 nan 0.000 0.455 239 E N 5.184 125.460 120.200 0.127 0.000 2.241 239 E HA 0.355 4.686 4.350 -0.032 0.000 0.263 239 E C -1.804 175.003 176.600 0.344 0.000 0.882 239 E CA -0.576 55.941 56.400 0.194 0.000 0.769 239 E CB 2.771 32.590 29.700 0.199 0.000 1.185 239 E HN 0.590 nan 8.360 nan 0.000 0.415 240 W N 3.632 125.007 121.300 0.125 0.000 3.405 240 W HA 0.150 4.791 4.660 -0.031 0.000 0.329 240 W C -0.594 176.027 176.519 0.170 0.000 1.142 240 W CA -0.397 57.046 57.345 0.163 0.000 1.235 240 W CB 0.995 30.549 29.460 0.156 0.000 1.341 240 W HN 0.342 nan 8.180 nan 0.000 0.481 241 E N 5.989 125.843 120.200 -0.577 0.000 2.149 241 E HA -0.322 4.009 4.350 -0.032 0.000 0.191 241 E C 0.539 176.857 176.600 -0.471 0.000 1.384 241 E CA 1.886 57.885 56.400 -0.670 0.000 0.698 241 E CB -0.985 27.938 29.700 -1.295 0.000 1.086 241 E HN 0.878 nan 8.360 nan 0.000 0.338 242 K N -3.881 116.273 120.400 -0.409 0.000 3.609 242 K HA -0.246 4.055 4.320 -0.032 0.000 0.277 242 K C 0.172 176.350 176.600 -0.704 0.000 1.196 242 K CA 1.774 57.655 56.287 -0.678 0.000 1.022 242 K CB -1.422 30.362 32.500 -1.194 0.000 1.292 242 K HN 0.265 nan 8.250 nan 0.000 0.484 243 W N 1.805 122.915 121.300 -0.316 0.000 2.251 243 W HA 0.430 5.071 4.660 -0.031 0.000 0.329 243 W C 0.675 177.177 176.519 -0.029 0.000 1.234 243 W CA -0.091 57.207 57.345 -0.079 0.000 1.228 243 W CB 1.422 30.981 29.460 0.165 0.000 1.135 243 W HN 0.010 nan 8.180 nan 0.000 0.576 244 S N 4.195 120.056 115.700 0.267 0.000 2.575 244 S HA 0.828 5.279 4.470 -0.032 0.000 0.278 244 S C -1.134 173.473 174.600 0.012 0.000 1.139 244 S CA -0.732 57.519 58.200 0.086 0.000 0.954 244 S CB 0.145 63.416 63.200 0.119 0.000 1.054 244 S HN 0.583 nan 8.310 nan 0.000 0.483 245 L N 1.033 122.126 121.223 -0.217 0.000 2.940 245 L HA 0.753 5.074 4.340 -0.032 0.000 0.270 245 L C -2.092 174.600 176.870 -0.296 0.000 1.030 245 L CA -1.066 53.652 54.840 -0.203 0.000 0.928 245 L CB 1.646 43.609 42.059 -0.160 0.000 1.506 245 L HN 0.404 nan 8.230 nan 0.000 0.405 246 D N 1.389 121.694 120.400 -0.158 0.000 2.391 246 D HA 0.474 5.095 4.640 -0.032 0.000 0.245 246 D C -0.826 175.465 176.300 -0.016 0.000 1.069 246 D CA -0.263 53.708 54.000 -0.047 0.000 0.831 246 D CB 3.236 44.049 40.800 0.023 0.000 1.204 246 D HN 0.361 nan 8.370 nan 0.000 0.503 247 V N 2.261 122.168 119.914 -0.011 0.000 2.334 247 V HA 0.469 4.570 4.120 -0.032 0.000 0.267 247 V C 0.959 177.101 176.094 0.080 0.000 1.040 247 V CA -0.382 61.906 62.300 -0.019 0.000 0.866 247 V CB 1.052 32.843 31.823 -0.053 0.000 1.019 247 V HN 0.589 nan 8.190 nan 0.000 0.468 248 G N 3.139 112.021 108.800 0.136 0.000 2.521 248 G HA2 0.702 4.642 3.960 -0.032 0.000 0.323 248 G HA3 0.702 4.642 3.960 -0.032 0.000 0.323 248 G C -1.529 173.466 174.900 0.159 0.000 1.211 248 G CA -0.467 44.752 45.100 0.198 0.000 0.979 248 G HN 0.469 nan 8.290 nan 0.000 0.490 249 F N 0.039 119.968 119.950 -0.034 0.000 2.588 249 F HA 0.498 5.005 4.527 -0.032 0.000 0.318 249 F C -1.426 174.323 175.800 -0.085 0.000 1.155 249 F CA -0.964 56.968 58.000 -0.114 0.000 0.967 249 F CB 2.536 41.455 39.000 -0.136 0.000 1.236 249 F HN 0.506 nan 8.300 nan 0.000 0.455 250 D N 3.770 123.758 120.400 -0.687 0.000 2.481 250 D HA 0.301 4.922 4.640 -0.032 0.000 0.244 250 D C 0.238 176.147 176.300 -0.650 0.000 1.057 250 D CA -0.525 53.218 54.000 -0.429 0.000 0.848 250 D CB 2.430 43.118 40.800 -0.186 0.000 1.388 250 D HN 0.370 nan 8.370 nan 0.000 0.475 251 V N 4.255 123.982 119.914 -0.312 0.000 2.594 251 V HA -0.125 3.976 4.120 -0.032 0.000 0.253 251 V C 2.011 178.030 176.094 -0.125 0.000 1.069 251 V CA 2.145 64.317 62.300 -0.213 0.000 1.082 251 V CB -0.382 31.378 31.823 -0.105 0.000 0.680 251 V HN 0.619 nan 8.190 nan 0.000 0.469 252 R N -0.500 119.987 120.500 -0.022 0.000 2.064 252 R HA -0.011 4.310 4.340 -0.032 0.000 0.221 252 R C 2.194 178.432 176.300 -0.103 0.000 1.136 252 R CA 1.481 57.559 56.100 -0.036 0.000 0.980 252 R CB -0.173 30.057 30.300 -0.116 0.000 0.876 252 R HN 0.566 nan 8.270 nan 0.000 0.437 253 E N -0.504 119.615 120.200 -0.135 0.000 2.318 253 E HA 0.140 4.471 4.350 -0.032 0.000 0.193 253 E C 0.710 177.143 176.600 -0.278 0.000 0.998 253 E CA 0.374 56.702 56.400 -0.120 0.000 0.859 253 E CB 0.579 30.256 29.700 -0.039 0.000 0.812 253 E HN 0.566 nan 8.360 nan 0.000 0.492 254 G N 0.813 109.243 108.800 -0.616 0.000 2.496 254 G HA2 -0.291 3.650 3.960 -0.032 0.000 0.243 254 G HA3 -0.291 3.650 3.960 -0.032 0.000 0.243 254 G C -0.127 174.214 174.900 -0.931 0.000 1.176 254 G CA -0.346 44.087 45.100 -1.111 0.000 0.940 254 G HN 0.098 nan 8.290 nan 0.000 0.573 255 V N 0.741 120.266 119.914 -0.650 0.000 2.585 255 V HA 0.434 4.535 4.120 -0.032 0.000 0.296 255 V C 0.729 176.760 176.094 -0.105 0.000 1.035 255 V CA 0.180 62.402 62.300 -0.130 0.000 1.084 255 V CB 1.008 32.922 31.823 0.151 0.000 0.953 255 V HN 0.909 nan 8.190 nan 0.000 0.483 256 V N 6.632 126.433 119.914 -0.188 0.000 2.588 256 V HA 0.461 4.561 4.120 -0.032 0.000 0.304 256 V C -0.256 175.539 176.094 -0.498 0.000 1.042 256 V CA -0.632 61.456 62.300 -0.352 0.000 0.877 256 V CB 1.942 33.567 31.823 -0.330 0.000 0.996 256 V HN 0.608 nan 8.190 nan 0.000 0.425 257 L N 5.063 125.865 121.223 -0.701 0.000 2.282 257 L HA 0.613 4.933 4.340 -0.032 0.000 0.288 257 L C -0.352 176.137 176.870 -0.636 0.000 1.033 257 L CA -0.523 53.940 54.840 -0.628 0.000 0.807 257 L CB 0.898 42.504 42.059 -0.754 0.000 1.209 257 L HN 0.617 nan 8.230 nan 0.000 0.423 258 H N 3.598 122.492 119.070 -0.294 0.000 2.569 258 H HA 0.266 4.803 4.556 -0.032 0.000 0.357 258 H C -0.110 175.002 175.328 -0.359 0.000 1.153 258 H CA -0.721 55.126 56.048 -0.335 0.000 1.193 258 H CB 1.840 31.353 29.762 -0.416 0.000 1.602 258 H HN 0.562 nan 8.280 nan 0.000 0.523 259 N N 1.168 119.729 118.700 -0.233 0.000 2.705 259 N HA -0.204 4.517 4.740 -0.032 0.000 0.255 259 N C -0.514 174.931 175.510 -0.108 0.000 1.008 259 N CA 0.390 53.317 53.050 -0.205 0.000 0.742 259 N CB -1.219 37.095 38.487 -0.289 0.000 0.906 259 N HN 0.401 nan 8.380 nan 0.000 0.541 260 I N 0.846 121.359 120.570 -0.094 0.000 2.587 260 I HA 0.240 4.391 4.170 -0.032 0.000 0.284 260 I C 1.025 177.202 176.117 0.101 0.000 1.134 260 I CA 0.248 61.557 61.300 0.015 0.000 1.410 260 I CB 0.646 38.636 38.000 -0.017 0.000 1.392 260 I HN 0.363 nan 8.210 nan 0.000 0.545 261 A N 6.234 129.178 122.820 0.206 0.000 2.566 261 A HA 0.817 5.118 4.320 -0.032 0.000 0.292 261 A C -1.546 176.182 177.584 0.240 0.000 1.112 261 A CA -0.531 51.614 52.037 0.180 0.000 0.707 261 A CB 1.199 20.256 19.000 0.096 0.000 1.302 261 A HN 0.406 nan 8.150 nan 0.000 0.409 262 F N 0.567 120.513 119.950 -0.007 0.000 2.518 262 F HA 0.645 5.153 4.527 -0.032 0.000 0.323 262 F C 0.216 176.019 175.800 0.005 0.000 1.129 262 F CA -0.625 57.297 58.000 -0.128 0.000 0.920 262 F CB 1.765 40.609 39.000 -0.261 0.000 1.160 262 F HN 0.576 nan 8.300 nan 0.000 0.440 263 R N 4.180 124.567 120.500 -0.188 0.000 2.351 263 R HA 0.155 4.476 4.340 -0.032 0.000 0.321 263 R C -1.197 175.181 176.300 0.130 0.000 1.182 263 R CA 0.054 56.134 56.100 -0.034 0.000 1.011 263 R CB -0.514 29.709 30.300 -0.129 0.000 1.048 263 R HN 0.501 nan 8.270 nan 0.000 0.490 264 D N 4.006 124.583 120.400 0.296 0.000 2.456 264 D HA 0.350 4.971 4.640 -0.032 0.000 0.219 264 D C 0.909 177.305 176.300 0.160 0.000 1.126 264 D CA 0.979 55.185 54.000 0.344 0.000 0.890 264 D CB 0.630 41.655 40.800 0.375 0.000 1.025 264 D HN 0.679 nan 8.370 nan 0.000 0.511 265 G N 4.858 113.726 108.800 0.114 0.000 2.687 265 G HA2 -0.344 3.597 3.960 -0.032 0.000 0.303 265 G HA3 -0.344 3.597 3.960 -0.032 0.000 0.303 265 G C 0.697 175.620 174.900 0.038 0.000 1.209 265 G CA 0.578 45.714 45.100 0.060 0.000 0.968 265 G HN 0.603 nan 8.290 nan 0.000 0.549 266 D N 1.255 121.674 120.400 0.032 0.000 2.398 266 D HA 0.149 4.770 4.640 -0.032 0.000 0.210 266 D C 1.033 177.346 176.300 0.021 0.000 1.094 266 D CA 0.120 54.132 54.000 0.020 0.000 0.839 266 D CB 0.418 41.225 40.800 0.012 0.000 0.963 266 D HN 0.583 nan 8.370 nan 0.000 0.506 267 R N 0.710 121.229 120.500 0.032 0.000 2.460 267 R HA 0.506 4.827 4.340 -0.032 0.000 0.303 267 R C -0.548 175.783 176.300 0.052 0.000 0.968 267 R CA -0.696 55.421 56.100 0.029 0.000 0.889 267 R CB 2.524 32.831 30.300 0.012 0.000 1.123 267 R HN 0.016 nan 8.270 nan 0.000 0.455 268 L N 4.574 125.822 121.223 0.042 0.000 2.270 268 L HA 0.343 4.664 4.340 -0.032 0.000 0.286 268 L C -0.403 176.505 176.870 0.064 0.000 1.059 268 L CA -0.415 54.459 54.840 0.058 0.000 0.839 268 L CB 0.234 42.319 42.059 0.042 0.000 1.221 268 L HN 0.474 nan 8.230 nan 0.000 0.431 269 R N 6.308 126.879 120.500 0.118 0.000 2.229 269 R HA 0.386 4.707 4.340 -0.032 0.000 0.328 269 R C -2.381 174.009 176.300 0.149 0.000 1.009 269 R CA -1.731 54.447 56.100 0.130 0.000 0.864 269 R CB 0.802 31.206 30.300 0.174 0.000 1.085 269 R HN 0.402 nan 8.270 nan 0.000 0.453 270 P HA 0.099 nan 4.420 nan 0.000 0.275 270 P C -0.150 177.143 177.300 -0.012 0.000 1.228 270 P CA 0.016 63.107 63.100 -0.016 0.000 0.786 270 P CB 1.297 32.914 31.700 -0.140 0.000 0.927 271 I N 0.974 121.486 120.570 -0.096 0.000 3.746 271 I HA 0.250 4.401 4.170 -0.032 0.000 0.262 271 I C 0.714 176.703 176.117 -0.213 0.000 1.153 271 I CA 0.211 61.359 61.300 -0.252 0.000 1.395 271 I CB 0.407 38.157 38.000 -0.417 0.000 1.589 271 I HN 0.145 nan 8.210 nan 0.000 0.441 272 I N 1.369 121.845 120.570 -0.156 0.000 2.499 272 I HA 0.163 4.314 4.170 -0.032 0.000 0.288 272 I C 0.631 176.675 176.117 -0.121 0.000 1.048 272 I CA -0.243 60.979 61.300 -0.131 0.000 1.062 272 I CB 2.128 40.049 38.000 -0.132 0.000 1.238 272 I HN 0.114 nan 8.210 nan 0.000 0.426 273 N N 5.357 124.010 118.700 -0.078 0.000 2.216 273 N HA 0.002 4.723 4.740 -0.032 0.000 0.183 273 N C 0.544 176.007 175.510 -0.078 0.000 1.017 273 N CA 1.011 54.038 53.050 -0.038 0.000 0.861 273 N CB 0.541 39.119 38.487 0.152 0.000 0.986 273 N HN 0.549 nan 8.380 nan 0.000 0.428 274 R N -0.179 120.246 120.500 -0.125 0.000 2.535 274 R HA 0.480 4.801 4.340 -0.032 0.000 0.274 274 R C -2.109 174.022 176.300 -0.282 0.000 1.090 274 R CA -0.517 55.445 56.100 -0.230 0.000 0.930 274 R CB 1.825 32.041 30.300 -0.140 0.000 1.223 274 R HN 0.043 nan 8.270 nan 0.000 0.441 275 A N 2.293 124.863 122.820 -0.418 0.000 2.356 275 A HA 0.750 5.051 4.320 -0.032 0.000 0.310 275 A C -1.068 176.252 177.584 -0.440 0.000 1.075 275 A CA -0.396 51.392 52.037 -0.417 0.000 0.746 275 A CB 1.602 20.227 19.000 -0.625 0.000 1.221 275 A HN 0.844 nan 8.150 nan 0.000 0.443 276 S N 0.714 116.342 115.700 -0.120 0.000 2.611 276 S HA 0.667 5.118 4.470 -0.032 0.000 0.268 276 S C -1.330 173.389 174.600 0.198 0.000 1.156 276 S CA -0.628 57.598 58.200 0.043 0.000 0.817 276 S CB 0.540 63.696 63.200 -0.073 0.000 1.122 276 S HN 0.584 nan 8.310 nan 0.000 0.466 277 I N 2.110 122.821 120.570 0.234 0.000 2.307 277 I HA 0.537 4.688 4.170 -0.032 0.000 0.287 277 I C 1.181 177.401 176.117 0.171 0.000 1.054 277 I CA -0.335 61.095 61.300 0.216 0.000 1.218 277 I CB 0.816 39.037 38.000 0.369 0.000 1.398 277 I HN 0.939 nan 8.210 nan 0.000 0.475 278 A N 4.214 127.112 122.820 0.129 0.000 2.206 278 A HA 0.200 4.501 4.320 -0.032 0.000 0.211 278 A C 0.742 178.386 177.584 0.100 0.000 1.158 278 A CA 0.888 53.025 52.037 0.167 0.000 0.761 278 A CB -0.149 18.973 19.000 0.203 0.000 0.801 278 A HN 0.612 nan 8.150 nan 0.000 0.473 279 E N -1.975 118.226 120.200 0.002 0.000 2.389 279 E HA 0.532 4.863 4.350 -0.032 0.000 0.281 279 E C -1.261 175.305 176.600 -0.056 0.000 1.072 279 E CA -0.302 56.047 56.400 -0.086 0.000 0.845 279 E CB 0.767 30.239 29.700 -0.380 0.000 1.239 279 E HN 0.233 nan 8.360 nan 0.000 0.434 280 M N 4.257 123.830 119.600 -0.045 0.000 2.234 280 M HA 0.542 5.003 4.480 -0.032 0.000 0.267 280 M C -1.988 174.180 176.300 -0.220 0.000 1.022 280 M CA -0.785 54.367 55.300 -0.246 0.000 0.993 280 M CB 1.532 33.939 32.600 -0.322 0.000 1.836 280 M HN 0.398 nan 8.290 nan 0.000 0.479 281 V N 5.690 125.432 119.914 -0.287 0.000 2.628 281 V HA 0.757 4.858 4.120 -0.032 0.000 0.306 281 V C -1.330 174.546 176.094 -0.362 0.000 1.045 281 V CA -0.330 61.719 62.300 -0.419 0.000 0.905 281 V CB 2.248 33.701 31.823 -0.618 0.000 0.997 281 V HN 0.694 nan 8.190 nan 0.000 0.436 282 V N 8.603 128.374 119.914 -0.238 0.000 2.276 282 V HA 0.409 4.510 4.120 -0.032 0.000 0.268 282 V C -2.432 173.607 176.094 -0.091 0.000 1.032 282 V CA -1.310 60.885 62.300 -0.176 0.000 0.810 282 V CB 1.319 33.145 31.823 0.005 0.000 1.060 282 V HN 0.816 nan 8.190 nan 0.000 0.446 283 P HA 0.342 nan 4.420 nan 0.000 0.286 283 P C -1.312 175.871 177.300 -0.195 0.000 1.269 283 P CA -0.345 62.678 63.100 -0.128 0.000 0.787 283 P CB 1.113 32.720 31.700 -0.155 0.000 0.920 284 Y N 0.862 121.100 120.300 -0.103 0.000 2.323 284 Y HA 0.457 4.989 4.550 -0.030 0.000 0.331 284 Y C 1.739 177.610 175.900 -0.049 0.000 1.092 284 Y CA 0.292 58.350 58.100 -0.069 0.000 1.150 284 Y CB 1.355 39.708 38.460 -0.178 0.000 1.200 284 Y HN 0.480 nan 8.280 nan 0.000 0.472 285 G N 1.478 110.326 108.800 0.079 0.000 3.820 285 G HA2 0.015 3.956 3.960 -0.032 0.000 0.293 285 G HA3 0.015 3.956 3.960 -0.032 0.000 0.293 285 G C -0.720 174.223 174.900 0.071 0.000 1.152 285 G CA -0.193 44.955 45.100 0.080 0.000 0.921 285 G HN 0.511 nan 8.290 nan 0.000 0.544 286 D N 1.087 121.514 120.400 0.045 0.000 2.317 286 D HA 0.259 4.880 4.640 -0.032 0.000 0.234 286 D C -1.110 175.168 176.300 -0.038 0.000 1.112 286 D CA -2.402 51.586 54.000 -0.019 0.000 0.840 286 D CB 2.357 43.142 40.800 -0.025 0.000 1.078 286 D HN 0.036 nan 8.370 nan 0.000 0.486 287 P HA -0.042 nan 4.420 nan 0.000 0.242 287 P C 0.427 177.713 177.300 -0.025 0.000 1.197 287 P CA 0.003 63.091 63.100 -0.020 0.000 0.765 287 P CB 0.176 31.874 31.700 -0.003 0.000 0.936 288 S N 1.484 117.161 115.700 -0.038 0.000 2.552 288 S HA 0.081 4.532 4.470 -0.032 0.000 0.289 288 S C -1.363 173.232 174.600 -0.008 0.000 1.304 288 S CA -0.870 57.317 58.200 -0.022 0.000 1.063 288 S CB 0.292 63.461 63.200 -0.052 0.000 0.848 288 S HN -0.066 nan 8.310 nan 0.000 0.499 289 P HA -0.020 nan 4.420 nan 0.000 0.222 289 P C 0.892 178.319 177.300 0.213 0.000 1.147 289 P CA 0.604 63.775 63.100 0.118 0.000 0.790 289 P CB 0.039 31.813 31.700 0.124 0.000 0.780 290 I N -1.107 119.544 120.570 0.135 0.000 2.546 290 I HA -0.117 4.034 4.170 -0.032 0.000 0.255 290 I C 1.819 178.038 176.117 0.171 0.000 1.163 290 I CA 1.515 62.936 61.300 0.201 0.000 1.457 290 I CB -0.449 37.577 38.000 0.042 0.000 1.092 290 I HN -0.120 nan 8.210 nan 0.000 0.434 291 R N -1.304 119.090 120.500 -0.176 0.000 2.539 291 R HA 0.143 4.463 4.340 -0.032 0.000 0.342 291 R C 1.837 177.672 176.300 -0.775 0.000 0.941 291 R CA 0.645 56.337 56.100 -0.679 0.000 1.146 291 R CB 0.205 30.257 30.300 -0.414 0.000 1.541 291 R HN 0.281 nan 8.270 nan 0.000 0.525 292 S N 0.741 116.185 115.700 -0.428 0.000 2.500 292 S HA -0.106 4.345 4.470 -0.032 0.000 0.239 292 S C 1.372 175.764 174.600 -0.346 0.000 0.989 292 S CA 0.371 58.403 58.200 -0.281 0.000 0.951 292 S CB -0.379 62.745 63.200 -0.127 0.000 0.759 292 S HN 0.612 nan 8.310 nan 0.000 0.523 293 W N 0.555 121.682 121.300 -0.288 0.000 3.211 293 W HA 0.381 5.020 4.660 -0.036 0.000 0.292 293 W C 0.517 177.032 176.519 -0.007 0.000 1.268 293 W CA -0.630 56.471 57.345 -0.406 0.000 1.702 293 W CB -0.634 28.520 29.460 -0.510 0.000 1.092 293 W HN 0.281 nan 8.180 nan 0.000 0.643 294 Q N 2.962 122.283 119.800 -0.799 0.000 2.263 294 Q HA 0.082 4.403 4.340 -0.032 0.000 0.270 294 Q C -0.775 175.087 176.000 -0.229 0.000 1.104 294 Q CA 0.715 56.068 55.803 -0.750 0.000 0.909 294 Q CB 0.079 28.052 28.738 -1.274 0.000 1.214 294 Q HN 0.026 nan 8.270 nan 0.000 0.400 295 N N 4.719 123.355 118.700 -0.106 0.000 2.549 295 N HA 0.133 4.854 4.740 -0.032 0.000 0.290 295 N C -1.840 173.695 175.510 0.043 0.000 1.122 295 N CA -0.381 52.677 53.050 0.013 0.000 0.885 295 N CB 1.095 39.680 38.487 0.163 0.000 1.455 295 N HN 0.434 nan 8.380 nan 0.000 0.521 296 Y N 1.052 121.416 120.300 0.107 0.000 2.350 296 Y HA 0.375 4.905 4.550 -0.034 0.000 0.340 296 Y C 0.128 176.077 175.900 0.080 0.000 1.006 296 Y CA -0.486 57.743 58.100 0.215 0.000 1.166 296 Y CB 0.557 39.075 38.460 0.098 0.000 1.168 296 Y HN 0.363 nan 8.280 nan 0.000 0.502 297 F N 3.330 123.518 119.950 0.397 0.000 2.359 297 F HA 0.216 4.724 4.527 -0.032 0.000 0.355 297 F C 0.990 177.000 175.800 0.350 0.000 1.132 297 F CA -0.805 57.350 58.000 0.259 0.000 1.246 297 F CB 0.275 39.378 39.000 0.171 0.000 1.569 297 F HN 0.598 nan 8.300 nan 0.000 0.561 298 D N 0.586 121.195 120.400 0.349 0.000 2.116 298 D HA -0.162 4.459 4.640 -0.032 0.000 0.193 298 D C 1.998 178.507 176.300 0.348 0.000 0.998 298 D CA 1.824 56.015 54.000 0.319 0.000 0.836 298 D CB 0.016 40.884 40.800 0.113 0.000 0.951 298 D HN 0.365 nan 8.370 nan 0.000 0.449 299 T N -0.077 114.618 114.554 0.235 0.000 2.698 299 T HA -0.020 4.311 4.350 -0.032 0.000 0.260 299 T C 2.013 176.771 174.700 0.097 0.000 1.044 299 T CA 1.419 63.611 62.100 0.153 0.000 1.149 299 T CB -0.651 68.269 68.868 0.088 0.000 0.864 299 T HN 0.237 nan 8.240 nan 0.000 0.419 300 G N 0.960 109.820 108.800 0.101 0.000 2.408 300 G HA2 -0.135 3.806 3.960 -0.032 0.000 0.217 300 G HA3 -0.135 3.806 3.960 -0.032 0.000 0.217 300 G C 1.454 176.374 174.900 0.033 0.000 1.150 300 G CA 0.603 45.690 45.100 -0.022 0.000 0.776 300 G HN 0.511 nan 8.290 nan 0.000 0.542 301 E N -1.138 119.178 120.200 0.194 0.000 2.166 301 E HA 0.091 4.421 4.350 -0.032 0.000 0.192 301 E C 1.907 178.563 176.600 0.094 0.000 0.967 301 E CA 0.333 56.793 56.400 0.101 0.000 0.840 301 E CB 0.069 29.837 29.700 0.113 0.000 0.795 301 E HN 0.552 nan 8.360 nan 0.000 0.470 302 Y N 0.098 120.587 120.300 0.315 0.000 2.503 302 Y HA 0.267 4.798 4.550 -0.033 0.000 0.277 302 Y C 0.131 176.274 175.900 0.406 0.000 1.102 302 Y CA 0.094 58.456 58.100 0.436 0.000 1.261 302 Y CB 0.527 39.260 38.460 0.455 0.000 1.096 302 Y HN -0.156 nan 8.280 nan 0.000 0.546 303 L N 0.725 122.190 121.223 0.404 0.000 2.492 303 L HA -0.187 4.134 4.340 -0.032 0.000 0.668 303 L C 0.984 178.015 176.870 0.268 0.000 1.022 303 L CA -0.044 54.936 54.840 0.233 0.000 1.371 303 L CB -1.544 40.611 42.059 0.161 0.000 2.041 303 L HN 0.141 nan 8.230 nan 0.000 0.953 304 V N -0.393 119.669 119.914 0.245 0.000 2.490 304 V HA -0.105 3.996 4.120 -0.032 0.000 0.250 304 V C 2.177 178.409 176.094 0.230 0.000 1.061 304 V CA 2.183 64.663 62.300 0.301 0.000 1.064 304 V CB -0.539 31.439 31.823 0.259 0.000 0.670 304 V HN 0.856 nan 8.190 nan 0.000 0.461 305 G N -0.268 108.529 108.800 -0.004 0.000 2.432 305 G HA2 -0.308 3.633 3.960 -0.032 0.000 0.219 305 G HA3 -0.308 3.633 3.960 -0.032 0.000 0.219 305 G C 1.571 176.530 174.900 0.098 0.000 1.135 305 G CA 0.892 45.921 45.100 -0.117 0.000 0.767 305 G HN 0.669 nan 8.290 nan 0.000 0.550 306 Q N -0.656 119.108 119.800 -0.060 0.000 2.181 306 Q HA -0.137 4.184 4.340 -0.032 0.000 0.205 306 Q C 1.093 176.899 176.000 -0.323 0.000 0.980 306 Q CA 1.171 56.822 55.803 -0.253 0.000 0.862 306 Q CB -0.193 28.235 28.738 -0.516 0.000 0.905 306 Q HN 0.599 nan 8.270 nan 0.000 0.429 307 Y N -0.170 120.277 120.300 0.246 0.000 2.625 307 Y HA 0.464 4.996 4.550 -0.030 0.000 0.285 307 Y C 0.344 176.408 175.900 0.273 0.000 1.168 307 Y CA -0.379 57.864 58.100 0.237 0.000 1.250 307 Y CB -0.113 38.480 38.460 0.221 0.000 1.130 307 Y HN 0.100 nan 8.280 nan 0.000 0.526 308 A N 1.101 124.155 122.820 0.390 0.000 2.540 308 A HA 0.104 4.405 4.320 -0.032 0.000 0.239 308 A C 0.346 178.116 177.584 0.310 0.000 1.061 308 A CA -0.296 52.004 52.037 0.438 0.000 0.758 308 A CB -0.011 19.241 19.000 0.420 0.000 0.991 308 A HN 0.360 nan 8.150 nan 0.000 0.502 309 N N 0.936 119.826 118.700 0.317 0.000 2.445 309 N HA 0.244 4.965 4.740 -0.032 0.000 0.264 309 N C -0.365 175.232 175.510 0.145 0.000 1.227 309 N CA -0.102 53.074 53.050 0.210 0.000 0.963 309 N CB 0.779 39.379 38.487 0.189 0.000 1.188 309 N HN 0.502 nan 8.380 nan 0.000 0.491 310 S N 0.832 116.578 115.700 0.077 0.000 2.411 310 S HA 0.322 4.773 4.470 -0.032 0.000 0.294 310 S C 0.262 174.869 174.600 0.011 0.000 1.115 310 S CA -0.639 57.568 58.200 0.012 0.000 1.071 310 S CB -0.066 63.121 63.200 -0.021 0.000 0.967 310 S HN 0.229 nan 8.310 nan 0.000 0.488 311 L N 3.792 125.031 121.223 0.027 0.000 2.313 311 L HA 0.302 4.623 4.340 -0.032 0.000 0.282 311 L C 0.566 177.451 176.870 0.025 0.000 1.092 311 L CA -0.517 54.369 54.840 0.078 0.000 0.831 311 L CB 0.335 42.530 42.059 0.225 0.000 1.159 311 L HN 0.420 nan 8.230 nan 0.000 0.442 312 E N 3.111 123.330 120.200 0.031 0.000 2.289 312 E HA 0.182 4.513 4.350 -0.032 0.000 0.278 312 E C -0.316 176.345 176.600 0.102 0.000 1.032 312 E CA -0.772 55.644 56.400 0.026 0.000 0.854 312 E CB 1.842 31.546 29.700 0.007 0.000 1.046 312 E HN 0.278 nan 8.360 nan 0.000 0.409 313 L N 1.715 123.020 121.223 0.137 0.000 2.483 313 L HA 0.185 4.506 4.340 -0.032 0.000 0.276 313 L C 1.398 178.315 176.870 0.079 0.000 1.213 313 L CA 1.663 56.607 54.840 0.173 0.000 0.843 313 L CB 0.280 42.453 42.059 0.189 0.000 1.107 313 L HN 0.797 nan 8.230 nan 0.000 0.487 314 G N 1.978 110.808 108.800 0.051 0.000 2.196 314 G HA2 -0.386 3.555 3.960 -0.032 0.000 0.268 314 G HA3 -0.386 3.555 3.960 -0.032 0.000 0.268 314 G C 0.862 175.774 174.900 0.018 0.000 0.975 314 G CA 0.715 45.830 45.100 0.025 0.000 0.648 314 G HN 0.979 nan 8.290 nan 0.000 0.538 315 C N -1.742 117.573 119.300 0.025 0.000 2.756 315 C HA 0.384 4.824 4.460 -0.032 0.000 0.318 315 C C 2.084 177.078 174.990 0.006 0.000 1.888 315 C CA 1.560 60.583 59.018 0.009 0.000 2.168 315 C CB -0.336 27.406 27.740 0.004 0.000 1.758 315 C HN 0.399 nan 8.230 nan 0.000 0.722 316 D N 0.119 120.534 120.400 0.024 0.000 2.183 316 D HA 0.111 4.732 4.640 -0.032 0.000 0.205 316 D C 0.261 176.607 176.300 0.076 0.000 0.962 316 D CA 1.091 55.111 54.000 0.034 0.000 0.849 316 D CB 0.094 40.922 40.800 0.047 0.000 0.978 316 D HN 0.457 nan 8.370 nan 0.000 0.488 317 c N 1.690 120.323 118.600 0.055 0.000 2.381 317 c HA 0.518 5.069 4.570 -0.032 0.000 0.328 317 c C -0.309 173.723 174.090 -0.097 0.000 1.190 317 c CA -1.144 55.157 56.329 -0.046 0.000 1.369 317 c CB 0.886 43.346 42.510 -0.083 0.000 2.029 317 c HN 0.146 nan 8.230 nan 0.000 0.448 318 L N 3.917 125.062 121.223 -0.131 0.000 2.322 318 L HA 0.973 5.294 4.340 -0.032 0.000 0.279 318 L C 0.546 177.341 176.870 -0.124 0.000 1.036 318 L CA 1.805 56.594 54.840 -0.084 0.000 0.807 318 L CB 1.121 43.167 42.059 -0.022 0.000 1.226 318 L HN 1.123 nan 8.230 nan 0.000 0.433 319 G N 3.122 111.888 108.800 -0.056 0.000 2.416 319 G HA2 -0.151 3.790 3.960 -0.032 0.000 0.203 319 G HA3 -0.151 3.790 3.960 -0.032 0.000 0.203 319 G C -1.078 173.809 174.900 -0.020 0.000 1.227 319 G CA -0.148 44.941 45.100 -0.018 0.000 1.041 319 G HN 0.749 nan 8.290 nan 0.000 0.546 320 D N 1.031 121.444 120.400 0.021 0.000 2.441 320 D HA 0.506 5.127 4.640 -0.032 0.000 0.221 320 D C -0.183 176.134 176.300 0.030 0.000 1.156 320 D CA -0.156 53.857 54.000 0.023 0.000 0.896 320 D CB 0.276 41.099 40.800 0.037 0.000 1.028 320 D HN 0.349 nan 8.370 nan 0.000 0.509 321 I N 1.979 122.508 120.570 -0.068 0.000 2.437 321 I HA 0.196 4.346 4.170 -0.032 0.000 0.298 321 I C 0.728 176.738 176.117 -0.179 0.000 0.984 321 I CA -0.294 60.895 61.300 -0.186 0.000 1.214 321 I CB 2.007 39.703 38.000 -0.508 0.000 1.365 321 I HN 0.073 nan 8.210 nan 0.000 0.469 322 T N 5.429 119.935 114.554 -0.080 0.000 2.791 322 T HA 0.486 4.817 4.350 -0.032 0.000 0.288 322 T C -0.714 173.935 174.700 -0.085 0.000 0.999 322 T CA -0.337 61.781 62.100 0.029 0.000 0.952 322 T CB 0.109 69.164 68.868 0.312 0.000 0.938 322 T HN 0.121 nan 8.240 nan 0.000 0.444 323 Y N 2.133 122.481 120.300 0.081 0.000 2.354 323 Y HA 0.630 5.161 4.550 -0.032 0.000 0.322 323 Y C 0.313 176.226 175.900 0.022 0.000 1.253 323 Y CA -1.243 56.882 58.100 0.041 0.000 1.272 323 Y CB 0.913 39.387 38.460 0.024 0.000 1.255 323 Y HN 0.362 nan 8.280 nan 0.000 0.500 324 L N 1.394 122.726 121.223 0.183 0.000 2.385 324 L HA 0.448 4.769 4.340 -0.032 0.000 0.273 324 L C -0.657 176.212 176.870 -0.002 0.000 0.990 324 L CA -0.581 54.296 54.840 0.062 0.000 0.821 324 L CB 1.964 44.029 42.059 0.011 0.000 1.279 324 L HN 0.546 nan 8.230 nan 0.000 0.412 325 S N 3.784 119.463 115.700 -0.036 0.000 2.328 325 S HA 0.301 4.752 4.470 -0.032 0.000 0.204 325 S C -2.276 172.246 174.600 -0.130 0.000 1.475 325 S CA -1.066 57.079 58.200 -0.092 0.000 1.148 325 S CB 0.442 63.608 63.200 -0.057 0.000 1.077 325 S HN 0.398 nan 8.310 nan 0.000 0.479 326 P HA 0.139 nan 4.420 nan 0.000 0.268 326 P C -0.677 176.541 177.300 -0.136 0.000 1.208 326 P CA -0.182 62.769 63.100 -0.248 0.000 0.777 326 P CB 0.701 31.993 31.700 -0.680 0.000 0.875 327 V N 3.807 123.710 119.914 -0.018 0.000 2.555 327 V HA 0.487 4.588 4.120 -0.032 0.000 0.302 327 V C 0.659 176.794 176.094 0.069 0.000 1.038 327 V CA -0.603 61.707 62.300 0.017 0.000 0.887 327 V CB 1.328 33.165 31.823 0.023 0.000 0.991 327 V HN 0.518 nan 8.190 nan 0.000 0.434 328 I N 0.796 121.400 120.570 0.056 0.000 3.206 328 I HA 0.819 4.970 4.170 -0.032 0.000 0.313 328 I C -0.192 175.934 176.117 0.016 0.000 1.103 328 I CA -0.630 60.701 61.300 0.052 0.000 0.985 328 I CB 2.341 40.380 38.000 0.065 0.000 1.240 328 I HN 0.521 nan 8.210 nan 0.000 0.464 329 S N 1.085 116.776 115.700 -0.014 0.000 2.578 329 S HA 0.390 4.841 4.470 -0.032 0.000 0.283 329 S C -0.572 174.019 174.600 -0.015 0.000 1.195 329 S CA -0.549 57.639 58.200 -0.020 0.000 1.050 329 S CB 0.771 63.942 63.200 -0.050 0.000 1.012 329 S HN 0.824 nan 8.310 nan 0.000 0.511 330 D N 2.471 122.878 120.400 0.012 0.000 2.511 330 D HA 0.419 5.039 4.640 -0.032 0.000 0.276 330 D C 1.189 177.463 176.300 -0.043 0.000 1.220 330 D CA -0.163 53.848 54.000 0.018 0.000 1.077 330 D CB 0.039 40.892 40.800 0.088 0.000 1.126 330 D HN 0.478 nan 8.370 nan 0.000 0.583 331 A N -1.204 121.534 122.820 -0.137 0.000 2.121 331 A HA -0.007 4.294 4.320 -0.032 0.000 0.218 331 A C 1.391 178.656 177.584 -0.532 0.000 1.154 331 A CA 0.724 52.541 52.037 -0.366 0.000 0.679 331 A CB -0.881 17.788 19.000 -0.552 0.000 0.795 331 A HN 0.443 nan 8.150 nan 0.000 0.458 332 F N -1.626 118.340 119.950 0.026 0.000 2.678 332 F HA 0.404 4.912 4.527 -0.032 0.000 0.305 332 F C 1.697 177.497 175.800 0.001 0.000 1.090 332 F CA 0.265 58.275 58.000 0.016 0.000 1.272 332 F CB 0.377 39.386 39.000 0.015 0.000 1.060 332 F HN 0.293 nan 8.300 nan 0.000 0.576 333 G N 0.618 109.477 108.800 0.098 0.000 2.157 333 G HA2 -0.279 3.662 3.960 -0.032 0.000 0.239 333 G HA3 -0.279 3.662 3.960 -0.032 0.000 0.239 333 G C -0.050 174.872 174.900 0.037 0.000 0.982 333 G CA -0.370 44.756 45.100 0.043 0.000 0.650 333 G HN 0.426 nan 8.290 nan 0.000 0.527 334 N N 1.806 120.552 118.700 0.076 0.000 2.514 334 N HA 0.491 5.212 4.740 -0.032 0.000 0.277 334 N C -2.736 172.792 175.510 0.030 0.000 1.126 334 N CA -1.396 51.686 53.050 0.054 0.000 0.978 334 N CB 1.186 39.722 38.487 0.083 0.000 1.106 334 N HN 0.064 nan 8.380 nan 0.000 0.461 335 P HA 0.090 nan 4.420 nan 0.000 0.271 335 P C -1.004 176.306 177.300 0.018 0.000 1.216 335 P CA 0.126 63.230 63.100 0.007 0.000 0.771 335 P CB 0.618 32.316 31.700 -0.003 0.000 0.864 336 R N 2.192 122.703 120.500 0.020 0.000 2.483 336 R HA 0.253 4.574 4.340 -0.032 0.000 0.303 336 R C -0.643 175.664 176.300 0.012 0.000 0.987 336 R CA -0.573 55.541 56.100 0.023 0.000 0.881 336 R CB 1.133 31.454 30.300 0.034 0.000 1.177 336 R HN 0.423 nan 8.270 nan 0.000 0.451 337 E N 4.506 124.707 120.200 0.003 0.000 2.283 337 E HA 0.159 4.489 4.350 -0.032 0.000 0.278 337 E C -0.767 175.816 176.600 -0.028 0.000 1.027 337 E CA -0.696 55.694 56.400 -0.018 0.000 0.843 337 E CB 0.828 30.517 29.700 -0.019 0.000 1.062 337 E HN 0.450 nan 8.360 nan 0.000 0.401 338 I N 5.309 125.839 120.570 -0.066 0.000 2.316 338 I HA 0.142 4.293 4.170 -0.032 0.000 0.286 338 I C 0.446 176.504 176.117 -0.097 0.000 1.107 338 I CA -0.284 60.970 61.300 -0.077 0.000 1.219 338 I CB 0.321 38.238 38.000 -0.138 0.000 1.455 338 I HN 0.331 nan 8.210 nan 0.000 0.498 339 R N 5.533 125.990 120.500 -0.072 0.000 2.502 339 R HA -0.044 4.277 4.340 -0.032 0.000 0.292 339 R C 0.112 176.325 176.300 -0.144 0.000 0.998 339 R CA 0.421 56.462 56.100 -0.098 0.000 1.056 339 R CB -0.044 30.205 30.300 -0.085 0.000 0.939 339 R HN 0.611 nan 8.270 nan 0.000 0.411 340 N N 2.448 121.034 118.700 -0.190 0.000 2.714 340 N HA -0.186 4.535 4.740 -0.032 0.000 0.252 340 N C 0.686 176.153 175.510 -0.072 0.000 1.014 340 N CA 1.237 54.114 53.050 -0.289 0.000 0.735 340 N CB -1.189 36.783 38.487 -0.858 0.000 0.924 340 N HN 0.840 nan 8.380 nan 0.000 0.540 341 G N -1.046 107.724 108.800 -0.050 0.000 2.712 341 G HA2 0.247 4.188 3.960 -0.032 0.000 0.212 341 G HA3 0.247 4.188 3.960 -0.032 0.000 0.212 341 G C 0.532 175.469 174.900 0.062 0.000 1.142 341 G CA 0.151 45.239 45.100 -0.020 0.000 0.789 341 G HN 0.449 nan 8.290 nan 0.000 0.535 342 I N 0.516 121.138 120.570 0.087 0.000 2.447 342 I HA 0.296 4.447 4.170 -0.032 0.000 0.287 342 I C -0.772 175.458 176.117 0.188 0.000 1.023 342 I CA -0.890 60.484 61.300 0.123 0.000 1.083 342 I CB 2.353 40.359 38.000 0.010 0.000 1.245 342 I HN -0.190 nan 8.210 nan 0.000 0.434 343 c N 7.000 125.684 118.600 0.140 0.000 2.341 343 c HA 0.681 5.232 4.570 -0.032 0.000 0.338 343 c C 0.094 174.180 174.090 -0.005 0.000 1.257 343 c CA -0.492 55.844 56.329 0.012 0.000 1.883 343 c CB 0.666 43.199 42.510 0.038 0.000 2.334 343 c HN 0.662 nan 8.230 nan 0.000 0.524 344 M N 5.649 125.208 119.600 -0.069 0.000 2.267 344 M HA 0.490 4.951 4.480 -0.032 0.000 0.289 344 M C -0.691 175.571 176.300 -0.063 0.000 1.043 344 M CA -0.135 55.062 55.300 -0.172 0.000 0.928 344 M CB 1.811 34.221 32.600 -0.318 0.000 1.613 344 M HN 0.960 nan 8.290 nan 0.000 0.450 345 H N 1.038 119.915 119.070 -0.322 0.000 2.987 345 H HA 0.461 4.998 4.556 -0.032 0.000 0.316 345 H C -2.098 173.124 175.328 -0.177 0.000 1.380 345 H CA -1.028 54.979 56.048 -0.068 0.000 1.160 345 H CB 1.116 30.885 29.762 0.012 0.000 1.865 345 H HN 0.749 nan 8.280 nan 0.000 0.521 346 E N 1.277 121.470 120.200 -0.012 0.000 2.207 346 E HA 0.521 4.852 4.350 -0.032 0.000 0.270 346 E C -0.891 175.720 176.600 0.017 0.000 0.927 346 E CA -0.905 55.395 56.400 -0.167 0.000 0.799 346 E CB 2.693 32.455 29.700 0.103 0.000 1.172 346 E HN 0.721 nan 8.360 nan 0.000 0.404 347 E N 2.052 122.240 120.200 -0.019 0.000 2.383 347 E HA 0.250 4.581 4.350 -0.032 0.000 0.275 347 E C -1.371 175.346 176.600 0.195 0.000 0.918 347 E CA -1.024 55.450 56.400 0.123 0.000 0.764 347 E CB 1.521 31.302 29.700 0.136 0.000 1.252 347 E HN 0.526 nan 8.360 nan 0.000 0.449 348 D N 1.316 121.842 120.400 0.210 0.000 2.443 348 D HA -0.066 4.555 4.640 -0.032 0.000 0.239 348 D C -0.934 175.568 176.300 0.336 0.000 1.136 348 D CA 0.197 54.331 54.000 0.223 0.000 0.879 348 D CB 0.530 41.410 40.800 0.133 0.000 1.195 348 D HN 0.514 nan 8.370 nan 0.000 0.443 349 W N 5.716 127.056 121.300 0.067 0.000 1.340 349 W HA 0.370 5.011 4.660 -0.032 0.000 0.301 349 W C 0.277 176.828 176.519 0.053 0.000 0.834 349 W CA 0.079 57.462 57.345 0.062 0.000 2.473 349 W CB 0.101 29.644 29.460 0.137 0.000 1.837 349 W HN 0.842 nan 8.180 nan 0.000 0.528 350 G N 1.975 110.722 108.800 -0.088 0.000 2.575 350 G HA2 -0.335 3.606 3.960 -0.032 0.000 0.267 350 G HA3 -0.335 3.606 3.960 -0.032 0.000 0.267 350 G C -0.302 174.589 174.900 -0.015 0.000 1.264 350 G CA -0.097 44.933 45.100 -0.117 0.000 0.935 350 G HN 0.093 nan 8.290 nan 0.000 0.568 351 I N 1.271 121.821 120.570 -0.033 0.000 2.556 351 I HA 0.173 4.324 4.170 -0.032 0.000 0.284 351 I C 1.618 177.767 176.117 0.052 0.000 1.114 351 I CA -0.018 61.286 61.300 0.008 0.000 1.418 351 I CB 0.771 38.767 38.000 -0.007 0.000 1.394 351 I HN 0.632 nan 8.210 nan 0.000 0.552 352 L N 6.599 127.868 121.223 0.078 0.000 2.200 352 L HA 0.461 4.782 4.340 -0.032 0.000 0.200 352 L C 0.640 177.569 176.870 0.098 0.000 1.072 352 L CA 1.064 55.969 54.840 0.108 0.000 0.787 352 L CB 0.099 42.231 42.059 0.122 0.000 0.957 352 L HN 0.712 nan 8.230 nan 0.000 0.459 353 A N -0.458 122.430 122.820 0.114 0.000 2.589 353 A HA 0.653 4.954 4.320 -0.032 0.000 0.296 353 A C -1.142 176.562 177.584 0.201 0.000 1.062 353 A CA -0.600 51.532 52.037 0.157 0.000 0.686 353 A CB 1.099 20.231 19.000 0.220 0.000 1.282 353 A HN 0.062 nan 8.150 nan 0.000 0.404 354 K N 1.020 121.539 120.400 0.198 0.000 2.557 354 K HA 0.582 4.883 4.320 -0.032 0.000 0.257 354 K C -2.199 174.543 176.600 0.237 0.000 0.933 354 K CA -0.510 55.905 56.287 0.213 0.000 0.820 354 K CB 1.763 34.324 32.500 0.101 0.000 1.330 354 K HN 1.106 nan 8.250 nan 0.000 0.432 355 H N 0.301 119.444 119.070 0.122 0.000 3.129 355 H HA 0.376 4.913 4.556 -0.032 0.000 0.342 355 H C -1.948 173.404 175.328 0.041 0.000 1.092 355 H CA -0.360 55.712 56.048 0.040 0.000 1.310 355 H CB 1.930 31.683 29.762 -0.014 0.000 1.932 355 H HN 0.425 nan 8.280 nan 0.000 0.507 356 S N 4.094 119.423 115.700 -0.619 0.000 2.520 356 S HA 0.174 4.625 4.470 -0.032 0.000 0.324 356 S C -0.806 173.341 174.600 -0.756 0.000 1.069 356 S CA -0.673 57.244 58.200 -0.471 0.000 1.121 356 S CB 0.489 63.550 63.200 -0.231 0.000 0.971 356 S HN 0.650 nan 8.310 nan 0.000 0.463 357 D N 2.141 122.185 120.400 -0.594 0.000 2.280 357 D HA 0.292 4.913 4.640 -0.032 0.000 0.243 357 D C 0.983 177.179 176.300 -0.173 0.000 1.129 357 D CA -0.571 53.222 54.000 -0.345 0.000 0.848 357 D CB 0.879 41.659 40.800 -0.034 0.000 1.107 357 D HN 0.271 nan 8.370 nan 0.000 0.471 358 L N 5.464 126.551 121.223 -0.226 0.000 1.994 358 L HA -0.033 4.288 4.340 -0.032 0.000 0.208 358 L C 1.410 178.296 176.870 0.026 0.000 1.071 358 L CA 1.581 56.327 54.840 -0.157 0.000 0.745 358 L CB -0.376 41.513 42.059 -0.284 0.000 0.892 358 L HN 0.599 nan 8.230 nan 0.000 0.431 359 W N -0.179 121.128 121.300 0.012 0.000 2.381 359 W HA -0.086 4.555 4.660 -0.032 0.000 0.301 359 W C 2.999 179.523 176.519 0.009 0.000 1.205 359 W CA 1.483 58.835 57.345 0.012 0.000 1.285 359 W CB -1.771 27.701 29.460 0.019 0.000 1.133 359 W HN 0.536 nan 8.180 nan 0.000 0.521 360 S N -0.897 114.941 115.700 0.231 0.000 2.478 360 S HA 0.263 4.714 4.470 -0.032 0.000 0.222 360 S C 1.816 176.465 174.600 0.082 0.000 1.008 360 S CA 0.965 59.247 58.200 0.137 0.000 0.928 360 S CB -0.146 63.124 63.200 0.117 0.000 0.781 360 S HN 0.432 nan 8.310 nan 0.000 0.518 361 G N 1.130 109.965 108.800 0.057 0.000 2.184 361 G HA2 -0.199 3.742 3.960 -0.032 0.000 0.264 361 G HA3 -0.199 3.742 3.960 -0.032 0.000 0.264 361 G C -0.003 174.904 174.900 0.012 0.000 0.975 361 G CA 0.253 45.368 45.100 0.025 0.000 0.642 361 G HN 0.514 nan 8.290 nan 0.000 0.536 362 I N 1.438 122.019 120.570 0.017 0.000 2.352 362 I HA 0.290 4.441 4.170 -0.032 0.000 0.290 362 I C -0.277 175.843 176.117 0.005 0.000 1.036 362 I CA -0.858 60.459 61.300 0.029 0.000 1.336 362 I CB 0.846 38.880 38.000 0.057 0.000 1.407 362 I HN -0.006 nan 8.210 nan 0.000 0.497 363 N N 6.767 125.480 118.700 0.022 0.000 2.424 363 N HA 0.272 4.993 4.740 -0.032 0.000 0.271 363 N C -1.062 174.512 175.510 0.106 0.000 0.985 363 N CA -0.349 52.709 53.050 0.013 0.000 0.921 363 N CB 1.879 40.356 38.487 -0.017 0.000 1.149 363 N HN 0.457 nan 8.380 nan 0.000 0.492 364 Y N 1.111 121.393 120.300 -0.031 0.000 2.391 364 Y HA 0.507 5.038 4.550 -0.032 0.000 0.341 364 Y C -0.938 174.967 175.900 0.008 0.000 0.965 364 Y CA -0.329 57.772 58.100 0.002 0.000 1.067 364 Y CB 1.622 40.100 38.460 0.030 0.000 1.199 364 Y HN 0.338 nan 8.280 nan 0.000 0.450 365 T N 6.893 121.283 114.554 -0.273 0.000 3.032 365 T HA 0.565 4.895 4.350 -0.032 0.000 0.312 365 T C -1.317 173.175 174.700 -0.347 0.000 1.078 365 T CA -0.997 60.990 62.100 -0.188 0.000 1.028 365 T CB 1.169 69.986 68.868 -0.086 0.000 1.091 365 T HN 0.424 nan 8.240 nan 0.000 0.457 366 R N 1.847 122.219 120.500 -0.214 0.000 2.686 366 R HA 0.561 4.882 4.340 -0.032 0.000 0.283 366 R C -0.457 175.825 176.300 -0.031 0.000 0.978 366 R CA -0.850 55.154 56.100 -0.158 0.000 0.897 366 R CB 2.410 32.627 30.300 -0.138 0.000 1.192 366 R HN 0.551 nan 8.270 nan 0.000 0.457 367 R N 0.871 121.368 120.500 -0.006 0.000 2.573 367 R HA 0.372 4.693 4.340 -0.032 0.000 0.272 367 R C 0.043 176.405 176.300 0.103 0.000 1.009 367 R CA -0.599 55.527 56.100 0.044 0.000 1.059 367 R CB 1.433 31.757 30.300 0.040 0.000 1.112 367 R HN 0.559 nan 8.270 nan 0.000 0.517 368 N N 0.366 119.163 118.700 0.162 0.000 2.459 368 N HA 0.416 5.137 4.740 -0.032 0.000 0.288 368 N C -1.081 174.628 175.510 0.333 0.000 1.186 368 N CA -0.700 52.508 53.050 0.264 0.000 0.917 368 N CB 1.310 39.996 38.487 0.332 0.000 1.219 368 N HN 0.515 nan 8.380 nan 0.000 0.525 369 R N -0.019 120.725 120.500 0.407 0.000 2.692 369 R HA 0.449 4.770 4.340 -0.032 0.000 0.269 369 R C -1.498 175.044 176.300 0.403 0.000 1.030 369 R CA -1.100 55.249 56.100 0.416 0.000 0.882 369 R CB 1.352 31.904 30.300 0.419 0.000 1.250 369 R HN 0.563 nan 8.270 nan 0.000 0.465 370 R N 1.808 122.343 120.500 0.059 0.000 2.744 370 R HA 0.518 4.839 4.340 -0.032 0.000 0.279 370 R C -1.373 174.454 176.300 -0.790 0.000 0.977 370 R CA -1.056 54.770 56.100 -0.457 0.000 0.906 370 R CB 2.041 31.710 30.300 -1.051 0.000 1.197 370 R HN 0.630 nan 8.270 nan 0.000 0.463 371 M N 2.954 121.793 119.600 -1.269 0.000 2.144 371 M HA 0.302 4.763 4.480 -0.032 0.000 0.356 371 M C -1.582 174.237 176.300 -0.802 0.000 1.217 371 M CA -0.595 53.878 55.300 -1.379 0.000 1.087 371 M CB 1.529 33.118 32.600 -1.684 0.000 1.609 371 M HN 0.470 nan 8.290 nan 0.000 0.467 372 V N 6.701 126.194 119.914 -0.702 0.000 2.495 372 V HA 0.596 4.697 4.120 -0.032 0.000 0.298 372 V C -0.564 175.326 176.094 -0.339 0.000 1.031 372 V CA -0.723 61.323 62.300 -0.424 0.000 0.871 372 V CB 1.651 33.203 31.823 -0.451 0.000 0.988 372 V HN 0.648 nan 8.190 nan 0.000 0.432 373 I N 4.549 124.997 120.570 -0.202 0.000 2.439 373 I HA 0.647 4.798 4.170 -0.032 0.000 0.285 373 I C 0.052 176.164 176.117 -0.007 0.000 1.021 373 I CA 0.019 61.254 61.300 -0.108 0.000 1.091 373 I CB 1.583 39.520 38.000 -0.106 0.000 1.242 373 I HN 0.845 nan 8.210 nan 0.000 0.439 374 S N 6.138 121.835 115.700 -0.005 0.000 2.638 374 S HA 0.925 5.376 4.470 -0.032 0.000 0.274 374 S C -0.972 173.697 174.600 0.115 0.000 1.157 374 S CA -0.662 57.472 58.200 -0.110 0.000 0.826 374 S CB 3.028 65.832 63.200 -0.660 0.000 1.139 374 S HN 0.483 nan 8.310 nan 0.000 0.474 375 F N -1.288 118.585 119.950 -0.128 0.000 2.693 375 F HA 0.877 5.385 4.527 -0.032 0.000 0.309 375 F C -2.263 173.598 175.800 0.102 0.000 1.129 375 F CA -1.557 56.473 58.000 0.050 0.000 0.948 375 F CB 0.846 39.920 39.000 0.124 0.000 1.315 375 F HN 0.624 nan 8.300 nan 0.000 0.447 376 F N 0.982 120.969 119.950 0.062 0.000 2.551 376 F HA 0.720 5.227 4.527 -0.032 0.000 0.316 376 F C -0.159 175.765 175.800 0.207 0.000 1.089 376 F CA -0.393 57.618 58.000 0.018 0.000 0.915 376 F CB 2.338 41.373 39.000 0.058 0.000 1.186 376 F HN 0.871 nan 8.300 nan 0.000 0.456 377 T N 1.968 116.762 114.554 0.401 0.000 2.906 377 T HA 0.653 4.983 4.350 -0.032 0.000 0.295 377 T C -1.244 173.695 174.700 0.398 0.000 1.075 377 T CA -0.342 62.039 62.100 0.468 0.000 1.005 377 T CB 1.416 70.601 68.868 0.528 0.000 1.136 377 T HN 0.562 nan 8.240 nan 0.000 0.498 378 T N 3.539 118.287 114.554 0.323 0.000 2.840 378 T HA 0.611 4.942 4.350 -0.032 0.000 0.287 378 T C -0.953 173.767 174.700 0.034 0.000 0.991 378 T CA -0.365 61.824 62.100 0.148 0.000 0.964 378 T CB 0.549 69.481 68.868 0.107 0.000 0.954 378 T HN 0.394 nan 8.240 nan 0.000 0.438 379 I N 3.448 123.970 120.570 -0.081 0.000 2.464 379 I HA 0.520 4.671 4.170 -0.032 0.000 0.277 379 I C 1.102 177.022 176.117 -0.329 0.000 1.040 379 I CA 0.106 61.252 61.300 -0.258 0.000 1.153 379 I CB 0.677 38.550 38.000 -0.212 0.000 1.274 379 I HN 0.915 nan 8.210 nan 0.000 0.469 380 G N 5.710 114.337 108.800 -0.287 0.000 2.620 380 G HA2 -0.332 3.609 3.960 -0.032 0.000 0.315 380 G HA3 -0.332 3.609 3.960 -0.032 0.000 0.315 380 G C 0.440 175.212 174.900 -0.213 0.000 1.179 380 G CA 0.528 45.539 45.100 -0.148 0.000 0.971 380 G HN 0.737 nan 8.290 nan 0.000 0.544 384 Y N 0.286 120.604 120.300 0.030 0.000 2.409 384 Y HA 0.719 5.250 4.550 -0.031 0.000 0.343 384 Y C 0.793 176.072 175.900 -1.035 0.000 0.973 384 Y CA -1.057 56.835 58.100 -0.347 0.000 1.064 384 Y CB 2.509 40.866 38.460 -0.172 0.000 1.207 384 Y HN 0.455 nan 8.280 nan 0.000 0.452 385 G N 2.274 110.316 108.800 -1.263 0.000 2.372 385 G HA2 0.589 4.530 3.960 -0.032 0.000 0.323 385 G HA3 0.589 4.530 3.960 -0.032 0.000 0.323 385 G C -1.703 172.785 174.900 -0.687 0.000 1.152 385 G CA -0.426 43.834 45.100 -1.400 0.000 0.906 385 G HN 0.328 nan 8.290 nan 0.000 0.460 386 F N 1.562 120.989 119.950 -0.872 0.000 2.402 386 F HA 0.487 4.995 4.527 -0.032 0.000 0.355 386 F C -0.722 174.696 175.800 -0.637 0.000 1.123 386 F CA -0.954 56.723 58.000 -0.539 0.000 1.021 386 F CB 1.735 40.562 39.000 -0.288 0.000 1.160 386 F HN 0.301 nan 8.300 nan 0.000 0.451 387 Y N 1.341 121.212 120.300 -0.714 0.000 2.350 387 Y HA 0.448 4.979 4.550 -0.032 0.000 0.338 387 Y C -1.065 174.138 175.900 -1.162 0.000 0.961 387 Y CA -1.593 56.042 58.100 -0.774 0.000 1.100 387 Y CB 1.374 39.320 38.460 -0.857 0.000 1.179 387 Y HN 0.520 nan 8.280 nan 0.000 0.454 388 W N 3.300 124.271 121.300 -0.549 0.000 2.573 388 W HA 0.615 5.256 4.660 -0.032 0.000 0.326 388 W C -1.407 174.698 176.519 -0.691 0.000 1.049 388 W CA -0.722 56.321 57.345 -0.502 0.000 1.220 388 W CB 1.152 30.485 29.460 -0.212 0.000 1.373 388 W HN 0.323 nan 8.180 nan 0.000 0.507 389 Y N 2.908 123.109 120.300 -0.166 0.000 2.446 389 Y HA 0.656 5.187 4.550 -0.032 0.000 0.345 389 Y C -0.284 175.304 175.900 -0.520 0.000 0.984 389 Y CA -1.669 56.145 58.100 -0.478 0.000 1.058 389 Y CB 1.184 39.248 38.460 -0.660 0.000 1.220 389 Y HN 0.058 nan 8.280 nan 0.000 0.455 390 L N 4.027 124.906 121.223 -0.575 0.000 2.349 390 L HA 0.522 4.843 4.340 -0.032 0.000 0.278 390 L C -1.231 175.435 176.870 -0.340 0.000 0.996 390 L CA -0.836 53.615 54.840 -0.648 0.000 0.825 390 L CB 1.269 42.674 42.059 -1.091 0.000 1.243 390 L HN 0.594 nan 8.230 nan 0.000 0.412 391 Y N 1.831 122.273 120.300 0.237 0.000 2.453 391 Y HA 0.326 4.857 4.550 -0.032 0.000 0.326 391 Y C 1.194 177.531 175.900 0.728 0.000 1.186 391 Y CA -0.714 57.634 58.100 0.414 0.000 1.200 391 Y CB 1.445 40.039 38.460 0.224 0.000 1.247 391 Y HN 0.439 nan 8.280 nan 0.000 0.482 392 L N 0.590 122.227 121.223 0.690 0.000 2.042 392 L HA -0.214 4.107 4.340 -0.032 0.000 0.210 392 L C 1.653 178.758 176.870 0.392 0.000 1.076 392 L CA 1.777 56.886 54.840 0.449 0.000 0.749 392 L CB -0.371 41.841 42.059 0.254 0.000 0.893 392 L HN 0.763 nan 8.230 nan 0.000 0.432 393 D N -0.343 120.258 120.400 0.335 0.000 2.352 393 D HA -0.014 4.607 4.640 -0.032 0.000 0.232 393 D C 1.400 177.779 176.300 0.132 0.000 1.055 393 D CA 0.869 54.957 54.000 0.147 0.000 0.891 393 D CB 0.091 40.951 40.800 0.100 0.000 0.897 393 D HN 0.369 nan 8.370 nan 0.000 0.529 394 G N -0.790 108.259 108.800 0.414 0.000 2.176 394 G HA2 -0.245 3.696 3.960 -0.032 0.000 0.232 394 G HA3 -0.245 3.696 3.960 -0.032 0.000 0.232 394 G C 0.389 175.767 174.900 0.797 0.000 0.986 394 G CA 0.196 45.585 45.100 0.481 0.000 0.643 394 G HN 0.464 nan 8.290 nan 0.000 0.522 395 T N 1.314 116.248 114.554 0.634 0.000 2.919 395 T HA 0.565 4.896 4.350 -0.032 0.000 0.302 395 T C 0.537 175.592 174.700 0.592 0.000 1.031 395 T CA 0.420 62.831 62.100 0.519 0.000 1.127 395 T CB 1.318 70.311 68.868 0.209 0.000 0.952 395 T HN 0.337 nan 8.240 nan 0.000 0.540 396 I N 2.524 123.365 120.570 0.451 0.000 2.433 396 I HA 0.498 4.649 4.170 -0.032 0.000 0.292 396 I C 0.103 176.360 176.117 0.233 0.000 1.001 396 I CA -0.638 60.821 61.300 0.265 0.000 1.119 396 I CB 1.896 40.026 38.000 0.218 0.000 1.289 396 I HN 0.621 nan 8.210 nan 0.000 0.438 397 E N 5.636 125.930 120.200 0.156 0.000 2.383 397 E HA 0.519 4.850 4.350 -0.032 0.000 0.275 397 E C -2.036 174.365 176.600 -0.331 0.000 0.918 397 E CA -0.629 55.751 56.400 -0.034 0.000 0.764 397 E CB 2.816 32.637 29.700 0.202 0.000 1.252 397 E HN 0.411 nan 8.360 nan 0.000 0.449 398 F N 2.036 121.383 119.950 -1.004 0.000 2.563 398 F HA 0.553 5.061 4.527 -0.032 0.000 0.316 398 F C -1.296 173.940 175.800 -0.940 0.000 1.076 398 F CA -0.500 56.700 58.000 -1.334 0.000 0.921 398 F CB 1.915 39.757 39.000 -1.931 0.000 1.209 398 F HN 0.526 nan 8.300 nan 0.000 0.462 399 E N 3.858 122.866 120.200 -1.988 0.000 2.304 399 E HA 0.673 5.004 4.350 -0.032 0.000 0.277 399 E C -1.999 173.721 176.600 -1.468 0.000 0.898 399 E CA -0.943 54.700 56.400 -1.263 0.000 0.764 399 E CB 1.808 31.176 29.700 -0.553 0.000 1.216 399 E HN 0.894 nan 8.360 nan 0.000 0.419 400 A N 4.453 126.673 122.820 -1.000 0.000 2.304 400 A HA 0.559 4.860 4.320 -0.032 0.000 0.323 400 A C -0.795 176.511 177.584 -0.463 0.000 1.195 400 A CA -0.696 50.848 52.037 -0.822 0.000 0.826 400 A CB 0.827 19.211 19.000 -1.026 0.000 1.184 400 A HN 0.528 nan 8.150 nan 0.000 0.496 401 K N 1.734 121.920 120.400 -0.357 0.000 2.339 401 K HA 0.570 4.871 4.320 -0.032 0.000 0.264 401 K C -0.594 175.936 176.600 -0.118 0.000 0.986 401 K CA -0.293 55.879 56.287 -0.192 0.000 0.866 401 K CB 2.103 34.542 32.500 -0.102 0.000 1.103 401 K HN 0.728 nan 8.250 nan 0.000 0.441 402 A N 2.575 125.351 122.820 -0.074 0.000 2.276 402 A HA 0.556 4.857 4.320 -0.032 0.000 0.316 402 A C -0.070 177.443 177.584 -0.118 0.000 1.229 402 A CA -0.230 51.755 52.037 -0.087 0.000 0.851 402 A CB 1.277 20.188 19.000 -0.149 0.000 1.165 402 A HN 0.690 nan 8.150 nan 0.000 0.513 403 T N 0.813 115.275 114.554 -0.153 0.000 2.587 403 T HA 0.797 5.128 4.350 -0.032 0.000 0.282 403 T C 0.360 174.942 174.700 -0.198 0.000 1.018 403 T CA 1.048 63.080 62.100 -0.114 0.000 1.120 403 T CB 0.677 69.533 68.868 -0.021 0.000 1.538 403 T HN 2.648 nan 8.240 nan 0.000 0.480 404 G N -0.141 108.544 108.800 -0.190 0.000 2.451 404 G HA2 0.027 3.968 3.960 -0.032 0.000 0.208 404 G HA3 0.027 3.968 3.960 -0.032 0.000 0.208 404 G C -1.226 173.528 174.900 -0.244 0.000 1.248 404 G CA -0.209 44.744 45.100 -0.245 0.000 0.989 404 G HN 1.345 nan 8.290 nan 0.000 0.559 405 V N 1.317 121.051 119.914 -0.300 0.000 2.495 405 V HA 0.609 4.709 4.120 -0.032 0.000 0.298 405 V C 1.126 177.110 176.094 -0.184 0.000 1.031 405 V CA -0.121 62.033 62.300 -0.242 0.000 0.871 405 V CB 1.143 32.749 31.823 -0.361 0.000 0.988 405 V HN 1.717 nan 8.190 nan 0.000 0.432 406 V N 2.388 122.350 119.914 0.081 0.000 2.763 406 V HA 0.304 4.405 4.120 -0.032 0.000 0.306 406 V C -0.128 176.026 176.094 0.100 0.000 1.059 406 V CA -0.177 62.212 62.300 0.150 0.000 1.138 406 V CB 0.109 32.087 31.823 0.259 0.000 0.940 406 V HN 0.616 nan 8.190 nan 0.000 0.489 407 F N 4.885 124.827 119.950 -0.013 0.000 2.495 407 F HA 0.532 5.043 4.527 -0.027 0.000 0.365 407 F C 0.955 176.853 175.800 0.164 0.000 1.090 407 F CA 0.570 58.591 58.000 0.036 0.000 1.235 407 F CB 0.899 39.906 39.000 0.012 0.000 1.119 407 F HN 1.021 nan 8.300 nan 0.000 0.562 408 T N 1.622 116.137 114.554 -0.064 0.000 2.938 408 T HA 0.847 5.178 4.350 -0.032 0.000 0.285 408 T C -0.297 174.452 174.700 0.081 0.000 1.028 408 T CA -0.233 61.904 62.100 0.061 0.000 1.005 408 T CB 1.610 70.486 68.868 0.014 0.000 1.157 408 T HN 0.749 nan 8.240 nan 0.000 0.550 409 S N -0.427 115.292 115.700 0.031 0.000 2.790 409 S HA 0.803 5.254 4.470 -0.032 0.000 0.292 409 S C -0.581 173.982 174.600 -0.061 0.000 1.197 409 S CA -0.775 57.400 58.200 -0.043 0.000 0.851 409 S CB 0.759 63.941 63.200 -0.031 0.000 1.217 409 S HN 1.428 nan 8.310 nan 0.000 0.526 410 A N 0.354 123.097 122.820 -0.129 0.000 2.286 410 A HA 0.721 5.022 4.320 -0.032 0.000 0.286 410 A C -0.899 176.721 177.584 0.060 0.000 1.097 410 A CA -0.449 51.572 52.037 -0.028 0.000 0.821 410 A CB -0.046 18.934 19.000 -0.032 0.000 1.076 410 A HN 0.976 nan 8.150 nan 0.000 0.490 411 F N 3.889 123.833 119.950 -0.011 0.000 2.361 411 F HA 0.461 4.966 4.527 -0.036 0.000 0.364 411 F C -1.793 174.041 175.800 0.057 0.000 1.120 411 F CA -2.697 55.301 58.000 -0.003 0.000 1.102 411 F CB 0.963 39.952 39.000 -0.019 0.000 1.183 411 F HN 0.376 nan 8.300 nan 0.000 0.476 412 P HA -0.058 nan 4.420 nan 0.000 0.266 412 P C -0.592 176.543 177.300 -0.275 0.000 1.195 412 P CA -0.061 62.914 63.100 -0.208 0.000 0.768 412 P CB 0.660 32.255 31.700 -0.176 0.000 0.838 413 E N 0.967 121.104 120.200 -0.104 0.000 2.376 413 E HA 0.228 4.558 4.350 -0.032 0.000 0.266 413 E C 1.050 177.594 176.600 -0.094 0.000 1.009 413 E CA 0.640 57.001 56.400 -0.065 0.000 0.902 413 E CB -0.444 29.228 29.700 -0.047 0.000 0.972 413 E HN 0.788 nan 8.360 nan 0.000 0.439 414 G N 2.703 111.467 108.800 -0.059 0.000 2.194 414 G HA2 -0.176 3.765 3.960 -0.032 0.000 0.236 414 G HA3 -0.176 3.765 3.960 -0.032 0.000 0.236 414 G C 0.604 175.458 174.900 -0.076 0.000 0.987 414 G CA -0.073 44.996 45.100 -0.051 0.000 0.635 414 G HN 1.462 nan 8.290 nan 0.000 0.520 415 G N -1.548 107.127 108.800 -0.207 0.000 2.660 415 G HA2 0.432 4.373 3.960 -0.032 0.000 0.247 415 G HA3 0.432 4.373 3.960 -0.032 0.000 0.247 415 G C -0.192 174.483 174.900 -0.376 0.000 1.328 415 G CA 0.956 45.888 45.100 -0.281 0.000 0.884 415 G HN 2.248 nan 8.290 nan 0.000 0.531 416 S N -1.443 114.123 115.700 -0.224 0.000 2.537 416 S HA 0.596 5.047 4.470 -0.032 0.000 0.271 416 S C -0.366 174.202 174.600 -0.053 0.000 1.148 416 S CA 0.417 58.509 58.200 -0.180 0.000 0.868 416 S CB 1.776 64.797 63.200 -0.297 0.000 1.115 416 S HN 0.616 nan 8.310 nan 0.000 0.461 417 D N 2.290 122.661 120.400 -0.048 0.000 2.339 417 D HA 0.196 4.817 4.640 -0.032 0.000 0.217 417 D C 0.311 176.611 176.300 0.001 0.000 1.050 417 D CA 0.480 54.505 54.000 0.041 0.000 0.856 417 D CB 0.035 40.868 40.800 0.054 0.000 0.922 417 D HN 0.618 nan 8.370 nan 0.000 0.518 418 N N -0.645 117.870 118.700 -0.309 0.000 2.143 418 N HA 0.209 4.930 4.740 -0.032 0.000 0.229 418 N C -0.733 174.016 175.510 -1.269 0.000 1.294 418 N CA -0.079 52.574 53.050 -0.662 0.000 0.883 418 N CB 1.449 39.812 38.487 -0.207 0.000 1.148 418 N HN -0.072 nan 8.380 nan 0.000 0.511 419 I N 0.144 120.101 120.570 -1.023 0.000 2.722 419 I HA 0.341 4.492 4.170 -0.032 0.000 0.295 419 I C -0.588 175.514 176.117 -0.025 0.000 1.161 419 I CA -0.886 60.112 61.300 -0.503 0.000 1.032 419 I CB 2.125 40.052 38.000 -0.121 0.000 1.244 419 I HN -0.046 nan 8.210 nan 0.000 0.421 420 S N 3.577 119.428 115.700 0.252 0.000 2.578 420 S HA 0.698 5.149 4.470 -0.032 0.000 0.301 420 S C -0.680 173.920 174.600 0.001 0.000 1.091 420 S CA -0.840 57.547 58.200 0.312 0.000 1.032 420 S CB 1.774 65.222 63.200 0.413 0.000 1.064 420 S HN 0.633 nan 8.310 nan 0.000 0.508 421 Q N 0.868 120.381 119.800 -0.479 0.000 2.274 421 Q HA 0.464 4.785 4.340 -0.032 0.000 0.256 421 Q C -0.143 175.647 176.000 -0.350 0.000 0.927 421 Q CA -0.531 54.806 55.803 -0.777 0.000 0.939 421 Q CB 0.775 28.636 28.738 -1.462 0.000 1.201 421 Q HN 0.862 nan 8.270 nan 0.000 0.426 422 L N 2.179 123.222 121.223 -0.301 0.000 2.425 422 L HA 0.513 4.834 4.340 -0.032 0.000 0.215 422 L C 0.459 177.187 176.870 -0.237 0.000 1.065 422 L CA 0.201 54.897 54.840 -0.241 0.000 0.842 422 L CB 0.422 42.243 42.059 -0.397 0.000 1.033 422 L HN 0.641 nan 8.230 nan 0.000 0.474 423 A N -1.174 121.470 122.820 -0.294 0.000 2.557 423 A HA 0.641 4.942 4.320 -0.032 0.000 0.292 423 A C -2.713 174.790 177.584 -0.135 0.000 1.139 423 A CA -1.067 50.869 52.037 -0.168 0.000 0.665 423 A CB 0.323 19.219 19.000 -0.174 0.000 1.285 423 A HN -0.232 nan 8.150 nan 0.000 0.433 424 P HA 0.279 nan 4.420 nan 0.000 0.258 424 P C 0.964 178.268 177.300 0.006 0.000 1.187 424 P CA 2.347 65.438 63.100 -0.015 0.000 0.767 424 P CB 0.307 32.016 31.700 0.015 0.000 0.770 425 G N 2.444 111.274 108.800 0.050 0.000 2.189 425 G HA2 -0.282 3.659 3.960 -0.032 0.000 0.267 425 G HA3 -0.282 3.659 3.960 -0.032 0.000 0.267 425 G C -0.123 174.827 174.900 0.084 0.000 0.975 425 G CA -0.104 45.063 45.100 0.112 0.000 0.644 425 G HN 0.558 nan 8.290 nan 0.000 0.537 426 L N 1.739 122.944 121.223 -0.030 0.000 2.272 426 L HA 0.781 5.102 4.340 -0.032 0.000 0.289 426 L C 0.731 177.537 176.870 -0.106 0.000 1.032 426 L CA 0.125 54.887 54.840 -0.130 0.000 0.810 426 L CB 1.049 42.895 42.059 -0.357 0.000 1.205 426 L HN 0.339 nan 8.230 nan 0.000 0.422 427 G N 3.409 112.213 108.800 0.007 0.000 2.509 427 G HA2 0.761 4.702 3.960 -0.032 0.000 0.328 427 G HA3 0.761 4.702 3.960 -0.032 0.000 0.328 427 G C -1.535 173.388 174.900 0.038 0.000 1.194 427 G CA -0.327 44.838 45.100 0.109 0.000 0.967 427 G HN 0.944 nan 8.290 nan 0.000 0.488 428 A N 1.752 124.636 122.820 0.107 0.000 2.522 428 A HA 0.730 5.030 4.320 -0.032 0.000 0.285 428 A C -2.650 175.071 177.584 0.228 0.000 1.198 428 A CA -1.331 50.801 52.037 0.159 0.000 0.742 428 A CB 1.556 20.637 19.000 0.134 0.000 1.176 428 A HN 0.478 nan 8.150 nan 0.000 0.444 429 P HA 0.164 nan 4.420 nan 0.000 0.268 429 P C -0.456 177.098 177.300 0.424 0.000 1.205 429 P CA 0.221 63.461 63.100 0.233 0.000 0.771 429 P CB 0.325 32.203 31.700 0.297 0.000 0.858 430 F N 3.212 123.259 119.950 0.161 0.000 2.553 430 F HA 0.175 4.684 4.527 -0.030 0.000 0.356 430 F C 1.686 177.397 175.800 -0.150 0.000 1.142 430 F CA 0.603 58.580 58.000 -0.038 0.000 1.322 430 F CB -0.553 38.453 39.000 0.010 0.000 1.126 430 F HN 0.522 nan 8.300 nan 0.000 0.599 431 H N -0.521 118.377 119.070 -0.286 0.000 2.887 431 H HA 0.481 5.018 4.556 -0.031 0.000 0.290 431 H C -1.839 173.184 175.328 -0.509 0.000 1.429 431 H CA -1.119 54.574 56.048 -0.592 0.000 1.137 431 H CB 1.329 30.312 29.762 -1.298 0.000 1.824 431 H HN 0.586 nan 8.280 nan 0.000 0.520 432 Q N 0.077 119.592 119.800 -0.474 0.000 2.484 432 Q HA 0.391 4.712 4.340 -0.032 0.000 0.285 432 Q C -1.122 174.587 176.000 -0.486 0.000 1.097 432 Q CA -0.992 54.566 55.803 -0.408 0.000 0.802 432 Q CB 2.947 31.512 28.738 -0.289 0.000 1.444 432 Q HN 0.528 nan 8.270 nan 0.000 0.429 433 H N 1.281 120.260 119.070 -0.153 0.000 2.860 433 H HA 0.451 4.987 4.556 -0.032 0.000 0.312 433 H C -0.954 174.149 175.328 -0.374 0.000 0.995 433 H CA -0.210 55.681 56.048 -0.262 0.000 1.311 433 H CB 0.720 30.414 29.762 -0.113 0.000 1.478 433 H HN 0.447 nan 8.280 nan 0.000 0.508 434 I N 4.172 124.484 120.570 -0.430 0.000 2.389 434 I HA 0.240 4.391 4.170 -0.032 0.000 0.288 434 I C -0.566 175.266 176.117 -0.476 0.000 0.999 434 I CA -0.611 60.478 61.300 -0.351 0.000 1.129 434 I CB 1.110 38.951 38.000 -0.264 0.000 1.288 434 I HN 0.198 nan 8.210 nan 0.000 0.444 435 F N 3.184 122.861 119.950 -0.456 0.000 2.440 435 F HA 0.545 5.053 4.527 -0.032 0.000 0.328 435 F C 0.624 176.210 175.800 -0.357 0.000 1.070 435 F CA -0.854 56.834 58.000 -0.521 0.000 1.011 435 F CB 1.723 40.108 39.000 -1.025 0.000 1.226 435 F HN 0.262 nan 8.300 nan 0.000 0.491 436 S N 1.074 116.802 115.700 0.046 0.000 2.707 436 S HA 0.773 5.224 4.470 -0.032 0.000 0.303 436 S C -0.971 173.732 174.600 0.172 0.000 1.132 436 S CA -0.554 57.712 58.200 0.109 0.000 1.046 436 S CB 0.550 63.649 63.200 -0.167 0.000 1.004 436 S HN 0.850 nan 8.310 nan 0.000 0.483 437 A N 4.917 127.894 122.820 0.263 0.000 2.260 437 A HA 0.601 4.902 4.320 -0.032 0.000 0.308 437 A C 0.159 177.770 177.584 0.044 0.000 1.254 437 A CA -0.668 51.480 52.037 0.184 0.000 0.874 437 A CB 0.317 19.381 19.000 0.106 0.000 1.153 437 A HN 0.855 nan 8.150 nan 0.000 0.527 438 R N 3.566 124.027 120.500 -0.066 0.000 2.207 438 R HA 0.520 4.841 4.340 -0.032 0.000 0.334 438 R C -1.501 174.605 176.300 -0.323 0.000 1.013 438 R CA -0.312 55.538 56.100 -0.417 0.000 0.858 438 R CB 0.245 30.172 30.300 -0.621 0.000 1.094 438 R HN 0.712 nan 8.270 nan 0.000 0.457 439 L N 4.527 125.550 121.223 -0.333 0.000 2.324 439 L HA 0.257 4.577 4.340 -0.032 0.000 0.274 439 L C -0.480 176.263 176.870 -0.211 0.000 1.012 439 L CA -0.894 53.831 54.840 -0.192 0.000 0.859 439 L CB 1.496 43.509 42.059 -0.077 0.000 1.224 439 L HN 0.555 nan 8.230 nan 0.000 0.429 440 D N 5.000 125.289 120.400 -0.185 0.000 2.402 440 D HA 0.166 4.786 4.640 -0.032 0.000 0.235 440 D C 0.220 176.504 176.300 -0.026 0.000 1.226 440 D CA -0.250 53.694 54.000 -0.094 0.000 0.918 440 D CB 0.611 41.375 40.800 -0.061 0.000 1.043 440 D HN 0.155 nan 8.370 nan 0.000 0.506 441 M N 2.215 121.817 119.600 0.004 0.000 2.240 441 M HA 0.362 4.823 4.480 -0.032 0.000 0.333 441 M C 0.423 176.762 176.300 0.064 0.000 1.110 441 M CA -0.378 54.932 55.300 0.017 0.000 1.173 441 M CB 0.730 33.350 32.600 0.032 0.000 1.458 441 M HN 0.498 nan 8.290 nan 0.000 0.458 442 A N 3.115 125.914 122.820 -0.034 0.000 3.368 442 A HA 0.367 4.668 4.320 -0.032 0.000 0.211 442 A C -0.461 177.050 177.584 -0.122 0.000 1.004 442 A CA -0.562 51.383 52.037 -0.153 0.000 1.059 442 A CB 0.079 18.860 19.000 -0.365 0.000 1.298 442 A HN 0.592 nan 8.150 nan 0.000 0.613 443 I N 1.682 122.237 120.570 -0.025 0.000 2.574 443 I HA 0.061 4.212 4.170 -0.032 0.000 0.291 443 I C 0.418 176.594 176.117 0.098 0.000 1.131 443 I CA 0.856 62.200 61.300 0.074 0.000 1.352 443 I CB -0.930 37.153 38.000 0.137 0.000 1.431 443 I HN 0.489 nan 8.210 nan 0.000 0.543 444 D N 4.975 125.452 120.400 0.128 0.000 2.911 444 D HA -0.163 4.458 4.640 -0.032 0.000 0.227 444 D C 0.632 176.893 176.300 -0.064 0.000 1.164 444 D CA 1.692 55.707 54.000 0.024 0.000 0.782 444 D CB -0.734 40.049 40.800 -0.029 0.000 1.094 444 D HN 1.100 nan 8.370 nan 0.000 0.425 445 G N -2.326 106.384 108.800 -0.150 0.000 2.354 445 G HA2 -0.015 3.926 3.960 -0.032 0.000 0.582 445 G HA3 -0.015 3.926 3.960 -0.032 0.000 0.582 445 G C 0.140 174.888 174.900 -0.255 0.000 1.316 445 G CA -0.406 44.544 45.100 -0.251 0.000 0.995 445 G HN 0.011 nan 8.290 nan 0.000 0.573 446 F N 0.684 120.626 119.950 -0.013 0.000 2.710 446 F HA 0.223 4.731 4.527 -0.032 0.000 0.298 446 F C 2.271 178.070 175.800 -0.001 0.000 1.137 446 F CA 1.093 59.079 58.000 -0.024 0.000 1.444 446 F CB 0.277 39.246 39.000 -0.051 0.000 1.111 446 F HN 0.276 nan 8.300 nan 0.000 0.580 447 T N 2.830 117.476 114.554 0.153 0.000 3.185 447 T HA 0.148 4.479 4.350 -0.032 0.000 0.287 447 T C -0.018 174.736 174.700 0.091 0.000 1.051 447 T CA -0.091 62.074 62.100 0.109 0.000 1.051 447 T CB -0.576 68.337 68.868 0.075 0.000 1.034 447 T HN 0.006 nan 8.240 nan 0.000 0.685 448 N N 2.760 121.523 118.700 0.104 0.000 2.545 448 N HA 0.708 5.429 4.740 -0.032 0.000 0.289 448 N C -0.176 175.390 175.510 0.093 0.000 1.279 448 N CA -1.015 52.092 53.050 0.095 0.000 0.824 448 N CB 1.982 40.530 38.487 0.101 0.000 1.395 448 N HN 0.588 nan 8.380 nan 0.000 0.526 449 R N -1.772 118.783 120.500 0.093 0.000 2.734 449 R HA 0.753 5.074 4.340 -0.032 0.000 0.271 449 R C -1.827 174.536 176.300 0.104 0.000 1.021 449 R CA -0.863 55.293 56.100 0.093 0.000 0.893 449 R CB 0.692 31.040 30.300 0.080 0.000 1.244 449 R HN 0.187 nan 8.270 nan 0.000 0.464 450 V N 1.006 120.987 119.914 0.113 0.000 2.604 450 V HA 0.448 4.549 4.120 -0.032 0.000 0.305 450 V C -0.575 175.607 176.094 0.146 0.000 1.043 450 V CA -0.729 61.655 62.300 0.139 0.000 0.888 450 V CB 1.803 33.715 31.823 0.149 0.000 0.995 450 V HN 0.768 nan 8.190 nan 0.000 0.429 451 E N 2.236 122.531 120.200 0.158 0.000 2.248 451 E HA 0.442 4.772 4.350 -0.032 0.000 0.267 451 E C -1.008 175.680 176.600 0.148 0.000 0.877 451 E CA -0.674 55.803 56.400 0.128 0.000 0.759 451 E CB 2.901 32.645 29.700 0.075 0.000 1.182 451 E HN 0.730 nan 8.360 nan 0.000 0.418 452 E N 2.600 122.870 120.200 0.117 0.000 2.167 452 E HA 0.082 4.413 4.350 -0.032 0.000 0.284 452 E C -1.018 175.502 176.600 -0.133 0.000 1.016 452 E CA -0.272 56.109 56.400 -0.032 0.000 0.817 452 E CB 0.946 30.692 29.700 0.077 0.000 1.080 452 E HN 0.409 nan 8.360 nan 0.000 0.397 453 E N 4.230 124.275 120.200 -0.258 0.000 2.151 453 E HA 0.195 4.526 4.350 -0.032 0.000 0.275 453 E C -1.289 175.182 176.600 -0.214 0.000 0.936 453 E CA -0.794 55.499 56.400 -0.179 0.000 0.777 453 E CB 0.998 30.614 29.700 -0.141 0.000 1.108 453 E HN 0.398 nan 8.360 nan 0.000 0.401 454 D N 2.566 122.888 120.400 -0.129 0.000 2.481 454 D HA 0.268 4.888 4.640 -0.032 0.000 0.244 454 D C -0.585 175.682 176.300 -0.054 0.000 1.057 454 D CA -0.536 53.398 54.000 -0.109 0.000 0.848 454 D CB 2.190 42.941 40.800 -0.081 0.000 1.388 454 D HN 0.159 nan 8.370 nan 0.000 0.475 455 V N 1.396 121.282 119.914 -0.048 0.000 2.811 455 V HA 0.240 4.341 4.120 -0.032 0.000 0.302 455 V C 0.186 176.285 176.094 0.007 0.000 1.063 455 V CA -0.275 62.023 62.300 -0.005 0.000 1.088 455 V CB 1.472 33.267 31.823 -0.047 0.000 0.982 455 V HN 0.267 nan 8.190 nan 0.000 0.485 456 V N 5.856 125.804 119.914 0.057 0.000 2.444 456 V HA 0.444 4.545 4.120 -0.032 0.000 0.294 456 V C 0.198 176.343 176.094 0.084 0.000 1.022 456 V CA -0.797 61.534 62.300 0.051 0.000 0.850 456 V CB 1.603 33.453 31.823 0.046 0.000 0.992 456 V HN 0.818 nan 8.190 nan 0.000 0.426 457 R N 3.377 123.905 120.500 0.048 0.000 2.531 457 R HA 0.573 4.894 4.340 -0.032 0.000 0.273 457 R C -0.538 175.799 176.300 0.061 0.000 1.070 457 R CA -0.489 55.647 56.100 0.060 0.000 1.112 457 R CB 1.083 31.393 30.300 0.018 0.000 1.049 457 R HN 0.666 nan 8.270 nan 0.000 0.508 458 Q N 0.296 120.140 119.800 0.073 0.000 2.377 458 Q HA 0.300 4.621 4.340 -0.032 0.000 0.271 458 Q C -0.847 175.176 176.000 0.039 0.000 1.077 458 Q CA -0.696 55.138 55.803 0.051 0.000 0.820 458 Q CB 2.683 31.453 28.738 0.053 0.000 1.347 458 Q HN 0.466 nan 8.270 nan 0.000 0.444 459 T N 1.986 116.556 114.554 0.026 0.000 2.889 459 T HA 0.273 4.604 4.350 -0.032 0.000 0.291 459 T C 0.016 174.727 174.700 0.018 0.000 0.995 459 T CA -0.421 61.691 62.100 0.020 0.000 1.092 459 T CB 0.535 69.411 68.868 0.014 0.000 0.954 459 T HN 0.471 nan 8.240 nan 0.000 0.506 460 M N 3.092 122.702 119.600 0.017 0.000 2.238 460 M HA 0.440 4.901 4.480 -0.032 0.000 0.350 460 M C 0.492 176.798 176.300 0.010 0.000 1.321 460 M CA 0.909 56.218 55.300 0.015 0.000 1.097 460 M CB -0.512 32.096 32.600 0.014 0.000 1.713 460 M HN 0.919 nan 8.290 nan 0.000 0.455 461 G N 4.498 113.303 108.800 0.008 0.000 2.367 461 G HA2 0.196 4.137 3.960 -0.032 0.000 0.272 461 G HA3 0.196 4.137 3.960 -0.032 0.000 0.272 461 G C -3.384 171.519 174.900 0.004 0.000 1.271 461 G CA -1.124 43.980 45.100 0.006 0.000 0.893 461 G HN 0.416 nan 8.290 nan 0.000 0.485 462 P HA 0.314 nan 4.420 nan 0.000 0.261 462 P C 0.986 178.286 177.300 -0.000 0.000 1.183 462 P CA 2.362 65.463 63.100 0.001 0.000 0.761 462 P CB 0.685 32.385 31.700 0.001 0.000 0.785 463 G N 2.867 111.666 108.800 -0.002 0.000 2.205 463 G HA2 -0.278 3.663 3.960 -0.032 0.000 0.261 463 G HA3 -0.278 3.663 3.960 -0.032 0.000 0.261 463 G C 0.526 175.422 174.900 -0.005 0.000 0.980 463 G CA 0.350 45.447 45.100 -0.005 0.000 0.632 463 G HN 0.657 nan 8.290 nan 0.000 0.533 464 N N -0.019 118.680 118.700 -0.001 0.000 2.620 464 N HA 0.345 5.065 4.740 -0.032 0.000 0.277 464 N C 0.981 176.494 175.510 0.005 0.000 1.726 464 N CA 0.445 53.496 53.050 0.002 0.000 0.840 464 N CB 0.422 38.913 38.487 0.006 0.000 1.379 464 N HN 0.119 nan 8.380 nan 0.000 0.506 465 E N 0.124 120.326 120.200 0.003 0.000 2.171 465 E HA -0.069 4.261 4.350 -0.032 0.000 0.197 465 E C 1.163 177.767 176.600 0.006 0.000 0.997 465 E CA 1.298 57.700 56.400 0.004 0.000 0.810 465 E CB 0.093 29.794 29.700 0.002 0.000 0.738 465 E HN 0.401 nan 8.360 nan 0.000 0.467 466 R N -0.906 119.598 120.500 0.007 0.000 2.317 466 R HA 0.164 4.484 4.340 -0.032 0.000 0.208 466 R C 0.737 177.047 176.300 0.017 0.000 0.914 466 R CA 0.486 56.593 56.100 0.011 0.000 1.060 466 R CB 0.371 30.677 30.300 0.010 0.000 1.015 466 R HN 0.226 nan 8.270 nan 0.000 0.498 467 G N 2.229 111.041 108.800 0.019 0.000 2.305 467 G HA2 -0.350 3.591 3.960 -0.032 0.000 0.287 467 G HA3 -0.350 3.591 3.960 -0.032 0.000 0.287 467 G C 0.213 175.138 174.900 0.042 0.000 1.036 467 G CA 0.952 46.069 45.100 0.027 0.000 0.887 467 G HN 0.683 nan 8.290 nan 0.000 0.505 468 N N -1.049 117.677 118.700 0.045 0.000 2.294 468 N HA 0.522 5.242 4.740 -0.032 0.000 0.186 468 N C 1.254 176.823 175.510 0.099 0.000 1.107 468 N CA 0.638 53.730 53.050 0.070 0.000 0.884 468 N CB 0.366 38.881 38.487 0.046 0.000 1.030 468 N HN 0.841 nan 8.380 nan 0.000 0.482 469 A N 0.604 123.455 122.820 0.052 0.000 2.445 469 A HA 0.447 4.748 4.320 -0.032 0.000 0.242 469 A C -0.501 177.163 177.584 0.134 0.000 1.075 469 A CA -0.150 51.895 52.037 0.014 0.000 0.777 469 A CB -0.279 18.710 19.000 -0.019 0.000 1.013 469 A HN 0.506 nan 8.150 nan 0.000 0.493 470 F N -0.130 119.816 119.950 -0.008 0.000 2.654 470 F HA 0.775 5.283 4.527 -0.032 0.000 0.308 470 F C -0.344 175.449 175.800 -0.011 0.000 1.108 470 F CA -0.406 57.588 58.000 -0.010 0.000 0.957 470 F CB 0.859 39.853 39.000 -0.010 0.000 1.309 470 F HN 0.612 nan 8.300 nan 0.000 0.446 471 S N 1.092 116.931 115.700 0.233 0.000 3.255 471 S HA 0.865 5.316 4.470 -0.032 0.000 0.305 471 S C -1.416 173.278 174.600 0.157 0.000 1.067 471 S CA -0.692 57.567 58.200 0.099 0.000 0.966 471 S CB 1.408 64.626 63.200 0.029 0.000 1.366 471 S HN 1.130 nan 8.310 nan 0.000 0.717 472 R N 0.521 121.064 120.500 0.071 0.000 2.710 472 R HA 0.613 4.933 4.340 -0.032 0.000 0.270 472 R C -2.034 174.277 176.300 0.018 0.000 1.021 472 R CA -0.936 55.193 56.100 0.049 0.000 0.889 472 R CB 1.273 31.599 30.300 0.043 0.000 1.243 472 R HN 0.699 nan 8.270 nan 0.000 0.464 473 K N 1.613 122.014 120.400 0.001 0.000 2.502 473 K HA 0.575 4.875 4.320 -0.032 0.000 0.257 473 K C -1.244 175.347 176.600 -0.015 0.000 0.938 473 K CA -1.132 55.153 56.287 -0.004 0.000 0.819 473 K CB 2.798 35.297 32.500 -0.001 0.000 1.333 473 K HN 0.645 nan 8.250 nan 0.000 0.434 474 R N 1.135 121.632 120.500 -0.006 0.000 2.561 474 R HA 0.391 4.712 4.340 -0.032 0.000 0.297 474 R C -1.141 175.166 176.300 0.012 0.000 0.969 474 R CA -0.923 55.174 56.100 -0.004 0.000 0.879 474 R CB 2.563 32.866 30.300 0.004 0.000 1.178 474 R HN 0.656 nan 8.270 nan 0.000 0.445 475 T N 2.270 116.837 114.554 0.022 0.000 2.786 475 T HA 0.233 4.564 4.350 -0.032 0.000 0.283 475 T C -0.048 174.687 174.700 0.060 0.000 0.992 475 T CA -0.607 61.515 62.100 0.037 0.000 0.954 475 T CB 1.553 70.444 68.868 0.038 0.000 0.934 475 T HN 0.150 nan 8.240 nan 0.000 0.440 476 V N 5.083 125.031 119.914 0.056 0.000 2.572 476 V HA 0.220 4.321 4.120 -0.032 0.000 0.291 476 V C 0.376 176.514 176.094 0.073 0.000 1.039 476 V CA -0.507 61.833 62.300 0.067 0.000 1.055 476 V CB 0.432 32.288 31.823 0.056 0.000 0.969 476 V HN 0.715 nan 8.190 nan 0.000 0.482 477 L N 5.478 126.755 121.223 0.089 0.000 2.268 477 L HA 0.269 4.590 4.340 -0.032 0.000 0.289 477 L C 1.469 178.383 176.870 0.074 0.000 1.064 477 L CA -0.136 54.755 54.840 0.084 0.000 0.824 477 L CB 0.987 43.106 42.059 0.101 0.000 1.202 477 L HN 0.925 nan 8.230 nan 0.000 0.433 478 T N -0.510 114.081 114.554 0.061 0.000 3.031 478 T HA 0.166 4.496 4.350 -0.032 0.000 0.254 478 T C 0.960 175.694 174.700 0.057 0.000 1.060 478 T CA 0.034 62.167 62.100 0.056 0.000 1.135 478 T CB 0.351 69.246 68.868 0.046 0.000 0.896 478 T HN 0.336 nan 8.240 nan 0.000 0.472 479 R N 0.810 121.343 120.500 0.055 0.000 2.854 479 R HA 0.486 4.807 4.340 -0.032 0.000 0.271 479 R C 0.629 176.966 176.300 0.062 0.000 0.994 479 R CA -0.628 55.505 56.100 0.055 0.000 0.945 479 R CB 1.262 31.588 30.300 0.044 0.000 1.194 479 R HN 0.247 nan 8.270 nan 0.000 0.476 480 E N 0.533 120.775 120.200 0.070 0.000 2.204 480 E HA -0.155 4.176 4.350 -0.032 0.000 0.195 480 E C 1.322 177.960 176.600 0.065 0.000 0.990 480 E CA 1.744 58.195 56.400 0.085 0.000 0.821 480 E CB 0.151 29.912 29.700 0.101 0.000 0.750 480 E HN 0.630 nan 8.360 nan 0.000 0.477 481 S N 1.132 116.861 115.700 0.048 0.000 2.469 481 S HA -0.167 4.284 4.470 -0.032 0.000 0.238 481 S C 1.484 176.092 174.600 0.013 0.000 0.998 481 S CA 1.212 59.431 58.200 0.031 0.000 0.957 481 S CB -0.277 62.940 63.200 0.028 0.000 0.764 481 S HN 0.452 nan 8.310 nan 0.000 0.514 482 E N -0.020 120.191 120.200 0.019 0.000 2.693 482 E HA 0.546 4.877 4.350 -0.032 0.000 0.214 482 E C 0.684 177.289 176.600 0.009 0.000 0.990 482 E CA 0.109 56.515 56.400 0.010 0.000 1.047 482 E CB 0.483 30.198 29.700 0.024 0.000 1.039 482 E HN 0.454 nan 8.360 nan 0.000 0.475 483 A N 0.996 123.820 122.820 0.006 0.000 2.610 483 A HA 0.337 4.638 4.320 -0.032 0.000 0.286 483 A C 0.106 177.633 177.584 -0.094 0.000 1.306 483 A CA -0.232 51.808 52.037 0.006 0.000 0.942 483 A CB 0.267 19.310 19.000 0.071 0.000 1.112 483 A HN 0.115 nan 8.150 nan 0.000 0.527 484 V N 2.749 122.539 119.914 -0.207 0.000 2.293 484 V HA 0.387 4.488 4.120 -0.032 0.000 0.275 484 V C -0.489 175.381 176.094 -0.372 0.000 1.021 484 V CA -0.729 61.259 62.300 -0.520 0.000 0.815 484 V CB 0.582 32.013 31.823 -0.654 0.000 1.025 484 V HN 0.479 nan 8.190 nan 0.000 0.448 485 R N 3.358 123.650 120.500 -0.346 0.000 2.732 485 R HA 0.660 4.981 4.340 -0.032 0.000 0.278 485 R C -0.129 176.119 176.300 -0.085 0.000 0.976 485 R CA -0.696 55.334 56.100 -0.117 0.000 0.963 485 R CB 2.105 32.449 30.300 0.073 0.000 1.150 485 R HN 0.880 nan 8.270 nan 0.000 0.478 486 E N 0.392 120.648 120.200 0.093 0.000 2.235 486 E HA 0.710 5.041 4.350 -0.032 0.000 0.265 486 E C -0.830 175.974 176.600 0.340 0.000 0.940 486 E CA -1.117 55.365 56.400 0.136 0.000 0.819 486 E CB 1.682 31.422 29.700 0.067 0.000 1.206 486 E HN 0.535 nan 8.360 nan 0.000 0.409 487 A N 1.227 124.247 122.820 0.333 0.000 2.332 487 A HA 0.270 4.571 4.320 -0.032 0.000 0.258 487 A C -0.283 177.404 177.584 0.172 0.000 1.087 487 A CA -0.171 52.086 52.037 0.366 0.000 0.802 487 A CB 0.413 19.616 19.000 0.337 0.000 1.042 487 A HN 0.710 nan 8.150 nan 0.000 0.489 488 D N 0.260 120.711 120.400 0.085 0.000 2.668 488 D HA 0.406 5.027 4.640 -0.032 0.000 0.247 488 D C 0.742 177.042 176.300 -0.000 0.000 1.268 488 D CA 0.288 54.305 54.000 0.029 0.000 0.842 488 D CB 0.692 41.490 40.800 -0.004 0.000 1.399 488 D HN 0.476 nan 8.370 nan 0.000 0.530 489 A N 2.787 125.627 122.820 0.032 0.000 1.940 489 A HA -0.182 4.119 4.320 -0.032 0.000 0.219 489 A C 2.078 179.659 177.584 -0.005 0.000 1.176 489 A CA 1.382 53.433 52.037 0.023 0.000 0.631 489 A CB -0.267 18.763 19.000 0.050 0.000 0.814 489 A HN 0.505 nan 8.150 nan 0.000 0.446 490 R N -0.175 120.322 120.500 -0.006 0.000 2.127 490 R HA -0.137 4.184 4.340 -0.032 0.000 0.238 490 R C 1.659 177.935 176.300 -0.040 0.000 1.134 490 R CA 1.968 58.055 56.100 -0.020 0.000 0.975 490 R CB -0.363 29.929 30.300 -0.013 0.000 0.865 490 R HN 0.618 nan 8.270 nan 0.000 0.447 491 T N -3.477 111.050 114.554 -0.045 0.000 3.145 491 T HA 0.232 4.563 4.350 -0.032 0.000 0.255 491 T C 0.870 175.522 174.700 -0.080 0.000 1.039 491 T CA 0.229 62.292 62.100 -0.061 0.000 0.928 491 T CB 0.727 69.562 68.868 -0.055 0.000 1.029 491 T HN 0.366 nan 8.240 nan 0.000 0.554 492 G N 2.390 111.146 108.800 -0.073 0.000 2.305 492 G HA2 -0.337 3.604 3.960 -0.032 0.000 0.287 492 G HA3 -0.337 3.604 3.960 -0.032 0.000 0.287 492 G C 0.012 174.827 174.900 -0.143 0.000 1.036 492 G CA 0.197 45.251 45.100 -0.077 0.000 0.887 492 G HN 0.907 nan 8.290 nan 0.000 0.505 493 R N 0.534 120.912 120.500 -0.203 0.000 2.522 493 R HA 0.450 4.771 4.340 -0.032 0.000 0.284 493 R C 0.872 176.791 176.300 -0.635 0.000 1.032 493 R CA 0.922 56.777 56.100 -0.409 0.000 1.049 493 R CB 0.260 30.306 30.300 -0.424 0.000 0.956 493 R HN 0.481 nan 8.270 nan 0.000 0.422 494 T N 0.634 114.726 114.554 -0.770 0.000 2.838 494 T HA 0.534 4.865 4.350 -0.032 0.000 0.292 494 T C -1.050 173.120 174.700 -0.883 0.000 1.113 494 T CA -0.953 60.699 62.100 -0.746 0.000 1.008 494 T CB 1.246 69.837 68.868 -0.461 0.000 1.259 494 T HN 0.561 nan 8.240 nan 0.000 0.520 495 W N 0.653 121.895 121.300 -0.097 0.000 2.781 495 W HA 0.587 5.228 4.660 -0.032 0.000 0.333 495 W C -1.580 174.918 176.519 -0.036 0.000 1.047 495 W CA -1.024 56.293 57.345 -0.046 0.000 1.236 495 W CB 1.778 31.221 29.460 -0.028 0.000 1.394 495 W HN 0.479 nan 8.180 nan 0.000 0.466 496 I N 4.347 125.012 120.570 0.159 0.000 2.377 496 I HA 0.305 4.456 4.170 -0.032 0.000 0.293 496 I C 0.047 176.254 176.117 0.150 0.000 0.987 496 I CA -0.739 60.635 61.300 0.123 0.000 1.185 496 I CB 0.990 39.031 38.000 0.069 0.000 1.341 496 I HN 0.049 nan 8.210 nan 0.000 0.455 497 I N 5.544 126.209 120.570 0.159 0.000 2.312 497 I HA 0.443 4.594 4.170 -0.032 0.000 0.290 497 I C 0.359 176.566 176.117 0.149 0.000 1.008 497 I CA -0.119 61.268 61.300 0.145 0.000 1.226 497 I CB 0.745 38.824 38.000 0.132 0.000 1.371 497 I HN 0.697 nan 8.210 nan 0.000 0.468 498 S N 5.330 121.105 115.700 0.125 0.000 2.704 498 S HA 0.557 5.008 4.470 -0.032 0.000 0.296 498 S C -0.657 174.003 174.600 0.099 0.000 1.138 498 S CA -0.872 57.400 58.200 0.121 0.000 0.875 498 S CB 2.788 66.045 63.200 0.096 0.000 1.151 498 S HN 0.559 nan 8.310 nan 0.000 0.500 499 N N 1.785 120.537 118.700 0.085 0.000 2.564 499 N HA 0.376 5.097 4.740 -0.032 0.000 0.248 499 N C -2.000 173.533 175.510 0.039 0.000 0.986 499 N CA -2.289 50.797 53.050 0.059 0.000 0.921 499 N CB 1.656 40.171 38.487 0.046 0.000 1.136 499 N HN 0.403 nan 8.380 nan 0.000 0.509 500 P HA -0.064 nan 4.420 nan 0.000 0.228 500 P C 0.124 177.434 177.300 0.017 0.000 1.151 500 P CA 1.133 64.250 63.100 0.029 0.000 0.770 500 P CB 0.562 32.283 31.700 0.035 0.000 0.786 501 E N -0.883 119.326 120.200 0.014 0.000 2.481 501 E HA 0.117 4.448 4.350 -0.032 0.000 0.198 501 E C 0.289 176.881 176.600 -0.013 0.000 1.027 501 E CA -0.053 56.349 56.400 0.004 0.000 0.900 501 E CB 0.372 30.078 29.700 0.011 0.000 0.993 501 E HN 0.013 nan 8.360 nan 0.000 0.482 502 S N 1.137 116.824 115.700 -0.022 0.000 2.640 502 S HA 0.323 4.774 4.470 -0.032 0.000 0.320 502 S C -0.914 173.647 174.600 -0.065 0.000 1.097 502 S CA -0.711 57.457 58.200 -0.054 0.000 1.092 502 S CB 0.427 63.582 63.200 -0.075 0.000 0.988 502 S HN -0.044 nan 8.310 nan 0.000 0.470 503 K N 2.936 123.296 120.400 -0.067 0.000 2.208 503 K HA 0.428 4.729 4.320 -0.032 0.000 0.247 503 K C -0.074 176.472 176.600 -0.089 0.000 0.953 503 K CA -1.027 55.221 56.287 -0.064 0.000 0.837 503 K CB 1.007 33.484 32.500 -0.039 0.000 1.131 503 K HN 0.754 nan 8.250 nan 0.000 0.431 504 N N 0.379 119.028 118.700 -0.086 0.000 2.364 504 N HA 0.018 4.739 4.740 -0.032 0.000 0.264 504 N C 0.660 176.136 175.510 -0.056 0.000 1.263 504 N CA -0.491 52.505 53.050 -0.090 0.000 0.959 504 N CB 0.311 38.752 38.487 -0.077 0.000 1.204 504 N HN 0.570 nan 8.380 nan 0.000 0.550 505 R N -0.647 119.826 120.500 -0.044 0.000 2.341 505 R HA 0.004 4.325 4.340 -0.032 0.000 0.213 505 R C 0.370 176.656 176.300 -0.022 0.000 1.082 505 R CA 1.086 57.168 56.100 -0.029 0.000 1.017 505 R CB -0.706 29.582 30.300 -0.021 0.000 0.860 505 R HN 0.577 nan 8.270 nan 0.000 0.473 506 L N 0.938 122.148 121.223 -0.022 0.000 2.700 506 L HA 0.173 4.494 4.340 -0.032 0.000 0.234 506 L C 0.221 177.081 176.870 -0.017 0.000 1.156 506 L CA -0.111 54.719 54.840 -0.017 0.000 0.946 506 L CB -0.531 41.520 42.059 -0.013 0.000 1.216 506 L HN 0.431 nan 8.230 nan 0.000 0.493 507 N N 1.246 119.934 118.700 -0.021 0.000 2.747 507 N HA -0.151 4.570 4.740 -0.032 0.000 0.249 507 N C -0.440 175.060 175.510 -0.016 0.000 1.107 507 N CA 0.192 53.231 53.050 -0.019 0.000 0.707 507 N CB 0.006 38.485 38.487 -0.014 0.000 1.054 507 N HN 0.311 nan 8.380 nan 0.000 0.555 508 E N 0.231 120.420 120.200 -0.019 0.000 2.199 508 E HA 0.408 4.739 4.350 -0.032 0.000 0.269 508 E C -2.487 174.103 176.600 -0.015 0.000 0.899 508 E CA -1.808 54.585 56.400 -0.012 0.000 0.772 508 E CB 1.494 31.190 29.700 -0.007 0.000 1.155 508 E HN 0.121 nan 8.360 nan 0.000 0.408 509 P HA -0.065 nan 4.420 nan 0.000 0.264 509 P C -0.008 177.297 177.300 0.008 0.000 1.193 509 P CA -0.059 63.042 63.100 0.002 0.000 0.763 509 P CB 0.361 32.073 31.700 0.020 0.000 0.810 510 V N 1.850 121.758 119.914 -0.011 0.000 2.963 510 V HA 0.749 4.850 4.120 -0.032 0.000 0.306 510 V C 0.551 176.737 176.094 0.153 0.000 1.077 510 V CA 0.282 62.589 62.300 0.011 0.000 1.124 510 V CB 0.371 32.101 31.823 -0.155 0.000 0.987 510 V HN 0.736 nan 8.190 nan 0.000 0.487 511 G N 2.157 111.103 108.800 0.243 0.000 2.600 511 G HA2 0.602 4.542 3.960 -0.032 0.000 0.293 511 G HA3 0.602 4.542 3.960 -0.032 0.000 0.293 511 G C -2.328 172.720 174.900 0.246 0.000 1.408 511 G CA -0.742 44.512 45.100 0.256 0.000 0.782 511 G HN 0.757 nan 8.290 nan 0.000 0.482 512 Y N -0.078 120.257 120.300 0.059 0.000 2.457 512 Y HA 0.606 5.137 4.550 -0.032 0.000 0.343 512 Y C 0.076 176.013 175.900 0.061 0.000 0.994 512 Y CA -0.802 57.317 58.100 0.032 0.000 1.031 512 Y CB 2.767 41.213 38.460 -0.023 0.000 1.246 512 Y HN 0.508 nan 8.280 nan 0.000 0.449 513 K N 4.094 124.570 120.400 0.126 0.000 2.235 513 K HA 0.522 4.823 4.320 -0.032 0.000 0.266 513 K C -1.633 175.017 176.600 0.084 0.000 0.980 513 K CA -0.857 55.464 56.287 0.057 0.000 0.849 513 K CB 0.990 33.459 32.500 -0.052 0.000 1.098 513 K HN 0.619 nan 8.250 nan 0.000 0.445 514 L N 5.018 126.283 121.223 0.069 0.000 2.281 514 L HA 0.286 4.607 4.340 -0.032 0.000 0.285 514 L C -1.351 175.517 176.870 -0.004 0.000 1.074 514 L CA 0.099 55.012 54.840 0.121 0.000 0.817 514 L CB 0.427 42.561 42.059 0.125 0.000 1.168 514 L HN 0.653 nan 8.230 nan 0.000 0.434 515 H N 4.415 123.587 119.070 0.171 0.000 2.541 515 H HA 0.722 5.259 4.556 -0.032 0.000 0.316 515 H C -0.079 175.376 175.328 0.212 0.000 1.043 515 H CA 0.014 56.159 56.048 0.162 0.000 1.232 515 H CB 1.338 31.182 29.762 0.137 0.000 1.406 515 H HN 0.882 nan 8.280 nan 0.000 0.469 516 A N 2.218 125.231 122.820 0.322 0.000 2.269 516 A HA 0.234 4.535 4.320 -0.032 0.000 0.319 516 A C 0.340 178.211 177.584 0.478 0.000 1.110 516 A CA -0.573 51.692 52.037 0.380 0.000 0.847 516 A CB 0.543 19.817 19.000 0.458 0.000 1.161 516 A HN 1.029 nan 8.150 nan 0.000 0.497 517 H N 0.606 119.862 119.070 0.308 0.000 2.551 517 H HA 0.008 4.545 4.556 -0.032 0.000 0.266 517 H C -0.142 175.308 175.328 0.202 0.000 0.964 517 H CA 0.241 56.419 56.048 0.218 0.000 1.180 517 H CB 0.188 30.070 29.762 0.201 0.000 1.408 517 H HN 0.744 nan 8.280 nan 0.000 0.563 518 N N 1.907 120.831 118.700 0.375 0.000 2.735 518 N HA -0.160 4.561 4.740 -0.032 0.000 0.248 518 N C -0.602 175.041 175.510 0.223 0.000 1.083 518 N CA 0.507 53.724 53.050 0.279 0.000 0.703 518 N CB -0.884 37.727 38.487 0.208 0.000 1.005 518 N HN 0.484 nan 8.380 nan 0.000 0.550 519 Q N -0.040 119.907 119.800 0.245 0.000 2.382 519 Q HA 0.366 4.687 4.340 -0.032 0.000 0.229 519 Q C -1.784 174.300 176.000 0.139 0.000 1.006 519 Q CA -1.046 54.867 55.803 0.184 0.000 0.916 519 Q CB 0.120 28.981 28.738 0.204 0.000 1.235 519 Q HN 0.147 nan 8.270 nan 0.000 0.512 520 P HA 0.010 nan 4.420 nan 0.000 0.269 520 P C -0.256 177.068 177.300 0.040 0.000 1.209 520 P CA 0.197 63.335 63.100 0.064 0.000 0.776 520 P CB 0.471 32.197 31.700 0.044 0.000 0.876 521 T N 0.110 114.680 114.554 0.027 0.000 2.891 521 T HA 0.318 4.649 4.350 -0.032 0.000 0.294 521 T C 0.285 174.952 174.700 -0.054 0.000 1.065 521 T CA -0.913 61.181 62.100 -0.010 0.000 0.936 521 T CB 0.053 68.925 68.868 0.007 0.000 1.415 521 T HN 0.188 nan 8.240 nan 0.000 0.572 522 L N 1.005 122.168 121.223 -0.100 0.000 2.601 522 L HA 0.132 4.453 4.340 -0.032 0.000 0.277 522 L C 0.801 177.632 176.870 -0.065 0.000 1.219 522 L CA 0.287 55.056 54.840 -0.119 0.000 0.915 522 L CB -0.447 41.515 42.059 -0.162 0.000 1.160 522 L HN 0.642 nan 8.230 nan 0.000 0.494 523 L N 5.033 126.222 121.223 -0.058 0.000 2.375 523 L HA 0.227 4.548 4.340 -0.032 0.000 0.215 523 L C 1.435 178.302 176.870 -0.004 0.000 1.108 523 L CA 0.223 55.051 54.840 -0.019 0.000 0.830 523 L CB -0.535 41.519 42.059 -0.008 0.000 0.959 523 L HN 0.839 nan 8.230 nan 0.000 0.457 524 A N 0.688 123.499 122.820 -0.015 0.000 2.547 524 A HA -0.105 4.196 4.320 -0.032 0.000 0.233 524 A C 0.315 177.907 177.584 0.013 0.000 1.067 524 A CA -0.070 51.970 52.037 0.006 0.000 0.763 524 A CB -0.057 18.946 19.000 0.006 0.000 1.007 524 A HN 0.281 nan 8.150 nan 0.000 0.506 525 D N 1.492 121.908 120.400 0.026 0.000 2.472 525 D HA 0.036 4.657 4.640 -0.032 0.000 0.237 525 D C -1.448 174.865 176.300 0.021 0.000 1.141 525 D CA -0.970 53.045 54.000 0.026 0.000 0.875 525 D CB 0.791 41.611 40.800 0.033 0.000 1.192 525 D HN 0.158 nan 8.370 nan 0.000 0.450 526 P HA -0.052 nan 4.420 nan 0.000 0.218 526 P C 0.953 178.263 177.300 0.016 0.000 1.146 526 P CA 1.107 64.215 63.100 0.013 0.000 0.813 526 P CB 0.152 31.859 31.700 0.012 0.000 0.778 527 G N -1.064 107.748 108.800 0.020 0.000 3.141 527 G HA2 0.047 3.988 3.960 -0.032 0.000 0.218 527 G HA3 0.047 3.988 3.960 -0.032 0.000 0.218 527 G C 0.362 175.279 174.900 0.028 0.000 1.170 527 G CA 0.029 45.141 45.100 0.020 0.000 0.769 527 G HN 0.360 nan 8.290 nan 0.000 0.546 528 S N -0.667 115.055 115.700 0.038 0.000 2.614 528 S HA 0.316 4.767 4.470 -0.032 0.000 0.265 528 S C 1.557 176.184 174.600 0.044 0.000 1.303 528 S CA 0.401 58.638 58.200 0.062 0.000 1.000 528 S CB 1.724 64.970 63.200 0.077 0.000 0.935 528 S HN 0.060 nan 8.310 nan 0.000 0.551 529 S N 0.605 116.335 115.700 0.051 0.000 2.368 529 S HA -0.144 4.307 4.470 -0.032 0.000 0.225 529 S C 1.687 176.288 174.600 0.003 0.000 1.030 529 S CA 1.201 59.372 58.200 -0.047 0.000 0.999 529 S CB -0.811 62.225 63.200 -0.273 0.000 0.844 529 S HN 0.708 nan 8.310 nan 0.000 0.459 530 I N 2.063 122.679 120.570 0.077 0.000 2.286 530 I HA -0.014 4.137 4.170 -0.032 0.000 0.248 530 I C 2.293 178.442 176.117 0.053 0.000 1.115 530 I CA 1.344 62.706 61.300 0.104 0.000 1.392 530 I CB -0.931 37.130 38.000 0.102 0.000 1.065 530 I HN 0.323 nan 8.210 nan 0.000 0.418 531 A N 0.329 123.164 122.820 0.024 0.000 1.969 531 A HA -0.156 4.145 4.320 -0.032 0.000 0.218 531 A C 2.420 180.007 177.584 0.004 0.000 1.169 531 A CA 1.418 53.454 52.037 -0.002 0.000 0.635 531 A CB -0.525 18.477 19.000 0.004 0.000 0.810 531 A HN 0.474 nan 8.150 nan 0.000 0.445 532 R N -0.939 119.567 120.500 0.010 0.000 2.100 532 R HA 0.062 4.383 4.340 -0.032 0.000 0.220 532 R C 2.235 178.534 176.300 -0.001 0.000 1.091 532 R CA 0.997 57.097 56.100 -0.000 0.000 0.986 532 R CB -0.188 30.106 30.300 -0.010 0.000 0.888 532 R HN 0.437 nan 8.270 nan 0.000 0.444 533 R N 0.349 120.868 120.500 0.032 0.000 2.153 533 R HA 0.099 4.420 4.340 -0.032 0.000 0.218 533 R C 0.940 177.348 176.300 0.180 0.000 1.072 533 R CA 1.009 57.137 56.100 0.047 0.000 0.990 533 R CB 0.307 30.642 30.300 0.059 0.000 0.889 533 R HN 0.044 nan 8.270 nan 0.000 0.452 534 A N 0.174 123.113 122.820 0.199 0.000 2.985 534 A HA 0.490 4.791 4.320 -0.032 0.000 0.303 534 A C 1.152 178.648 177.584 -0.147 0.000 1.048 534 A CA -0.086 52.047 52.037 0.160 0.000 1.016 534 A CB 0.293 19.299 19.000 0.009 0.000 1.118 534 A HN 0.237 nan 8.150 nan 0.000 0.529 535 A N 0.331 123.131 122.820 -0.033 0.000 1.986 535 A HA -0.074 4.227 4.320 -0.032 0.000 0.220 535 A C 1.800 179.375 177.584 -0.015 0.000 1.171 535 A CA 1.849 53.873 52.037 -0.022 0.000 0.640 535 A CB -0.977 18.031 19.000 0.015 0.000 0.811 535 A HN 1.384 nan 8.150 nan 0.000 0.451 536 F N -0.109 119.698 119.950 -0.238 0.000 2.192 536 F HA -0.031 4.476 4.527 -0.032 0.000 0.301 536 F C 2.032 177.883 175.800 0.086 0.000 1.079 536 F CA 0.876 58.639 58.000 -0.395 0.000 1.303 536 F CB -0.969 37.696 39.000 -0.560 0.000 1.024 536 F HN 0.150 nan 8.300 nan 0.000 0.494 537 A N 0.414 122.536 122.820 -1.163 0.000 2.209 537 A HA -0.012 4.289 4.320 -0.032 0.000 0.212 537 A C 2.108 179.541 177.584 -0.251 0.000 1.158 537 A CA 1.332 52.881 52.037 -0.814 0.000 0.742 537 A CB -1.488 16.872 19.000 -1.068 0.000 0.790 537 A HN 0.598 nan 8.150 nan 0.000 0.472 538 T N -3.563 110.947 114.554 -0.073 0.000 3.081 538 T HA 0.185 4.516 4.350 -0.032 0.000 0.255 538 T C 0.622 175.345 174.700 0.039 0.000 1.113 538 T CA 0.240 62.340 62.100 -0.001 0.000 1.082 538 T CB 0.108 68.992 68.868 0.027 0.000 0.939 538 T HN 0.115 nan 8.240 nan 0.000 0.506 539 K N 1.080 121.556 120.400 0.126 0.000 2.426 539 K HA 0.398 4.699 4.320 -0.032 0.000 0.251 539 K C -0.454 176.198 176.600 0.086 0.000 0.941 539 K CA -0.499 55.779 56.287 -0.015 0.000 0.808 539 K CB 2.130 34.389 32.500 -0.401 0.000 1.265 539 K HN -0.046 nan 8.250 nan 0.000 0.432 540 D N 0.377 120.787 120.400 0.017 0.000 2.149 540 D HA -0.036 4.585 4.640 -0.032 0.000 0.201 540 D C 0.074 176.403 176.300 0.048 0.000 0.972 540 D CA 0.886 54.937 54.000 0.084 0.000 0.835 540 D CB 0.293 41.189 40.800 0.159 0.000 0.966 540 D HN 0.150 nan 8.370 nan 0.000 0.476 541 L N -0.292 120.798 121.223 -0.221 0.000 2.464 541 L HA 0.452 4.772 4.340 -0.032 0.000 0.266 541 L C -1.973 174.764 176.870 -0.223 0.000 0.965 541 L CA -0.683 54.006 54.840 -0.252 0.000 0.833 541 L CB 1.495 42.966 42.059 -0.980 0.000 1.296 541 L HN -0.127 nan 8.230 nan 0.000 0.405 542 W N 4.296 125.584 121.300 -0.019 0.000 2.736 542 W HA 0.759 5.400 4.660 -0.032 0.000 0.335 542 W C -1.128 175.498 176.519 0.178 0.000 1.059 542 W CA -0.829 56.542 57.345 0.045 0.000 1.226 542 W CB 1.972 31.432 29.460 -0.001 0.000 1.416 542 W HN 0.137 nan 8.180 nan 0.000 0.505 543 V N 2.704 122.830 119.914 0.353 0.000 2.483 543 V HA 0.700 4.801 4.120 -0.032 0.000 0.297 543 V C -0.063 176.223 176.094 0.320 0.000 1.027 543 V CA -0.795 61.696 62.300 0.318 0.000 0.855 543 V CB 1.375 33.303 31.823 0.174 0.000 0.995 543 V HN 0.602 nan 8.190 nan 0.000 0.424 544 T N 1.659 116.448 114.554 0.391 0.000 2.916 544 T HA 0.767 5.097 4.350 -0.032 0.000 0.292 544 T C -0.490 174.343 174.700 0.221 0.000 1.064 544 T CA -0.972 61.312 62.100 0.306 0.000 1.011 544 T CB 2.178 71.277 68.868 0.384 0.000 1.152 544 T HN 0.504 nan 8.240 nan 0.000 0.510 545 R N 0.726 121.312 120.500 0.143 0.000 2.390 545 R HA 0.373 4.694 4.340 -0.032 0.000 0.291 545 R C -0.857 175.489 176.300 0.075 0.000 1.070 545 R CA -0.943 55.221 56.100 0.106 0.000 1.014 545 R CB -0.422 29.919 30.300 0.067 0.000 1.007 545 R HN 0.776 nan 8.270 nan 0.000 0.466 546 Y N 3.069 123.359 120.300 -0.016 0.000 2.702 546 Y HA 0.296 4.827 4.550 -0.032 0.000 0.336 546 Y C -0.739 175.104 175.900 -0.095 0.000 1.235 546 Y CA 0.956 59.014 58.100 -0.070 0.000 1.492 546 Y CB 0.494 38.876 38.460 -0.129 0.000 1.308 546 Y HN 0.749 nan 8.280 nan 0.000 0.589 547 A N 5.100 127.195 122.820 -1.207 0.000 2.517 547 A HA 0.297 4.598 4.320 -0.032 0.000 0.297 547 A C 0.094 177.043 177.584 -1.059 0.000 1.050 547 A CA -0.608 50.901 52.037 -0.882 0.000 0.694 547 A CB 0.895 19.611 19.000 -0.474 0.000 1.277 547 A HN 0.751 nan 8.150 nan 0.000 0.400 548 D N 1.033 121.045 120.400 -0.645 0.000 2.133 548 D HA -0.166 4.455 4.640 -0.032 0.000 0.195 548 D C 1.038 177.165 176.300 -0.288 0.000 0.997 548 D CA 2.349 56.145 54.000 -0.339 0.000 0.840 548 D CB 0.095 40.825 40.800 -0.117 0.000 0.947 548 D HN 0.760 nan 8.370 nan 0.000 0.452 549 D N -0.130 120.101 120.400 -0.282 0.000 2.328 549 D HA -0.041 4.580 4.640 -0.032 0.000 0.221 549 D C -0.165 175.955 176.300 -0.301 0.000 1.072 549 D CA 0.031 53.899 54.000 -0.221 0.000 0.850 549 D CB -0.593 40.128 40.800 -0.131 0.000 0.922 549 D HN 0.134 nan 8.370 nan 0.000 0.516 550 E N 0.598 120.523 120.200 -0.459 0.000 2.136 550 E HA 0.304 4.635 4.350 -0.032 0.000 0.246 550 E C 0.542 176.962 176.600 -0.300 0.000 1.017 550 E CA -0.275 55.744 56.400 -0.634 0.000 0.883 550 E CB 0.870 29.940 29.700 -1.049 0.000 1.199 550 E HN 0.157 nan 8.360 nan 0.000 0.447 551 R N 0.985 121.292 120.500 -0.322 0.000 2.123 551 R HA 0.103 4.424 4.340 -0.032 0.000 0.209 551 R C -0.030 175.943 176.300 -0.545 0.000 1.078 551 R CA 0.669 56.414 56.100 -0.591 0.000 1.028 551 R CB 0.336 29.951 30.300 -1.141 0.000 0.939 551 R HN 0.256 nan 8.270 nan 0.000 0.463 552 Y N 0.528 120.941 120.300 0.188 0.000 2.446 552 Y HA 0.300 4.831 4.550 -0.031 0.000 0.345 552 Y C -1.756 174.135 175.900 -0.015 0.000 0.984 552 Y CA -3.304 54.868 58.100 0.121 0.000 1.058 552 Y CB 1.173 39.599 38.460 -0.055 0.000 1.220 552 Y HN -0.156 nan 8.280 nan 0.000 0.455 553 P HA -0.096 nan 4.420 nan 0.000 0.228 553 P C 0.594 177.605 177.300 -0.482 0.000 1.151 553 P CA 1.416 64.170 63.100 -0.577 0.000 0.770 553 P CB 0.146 31.418 31.700 -0.714 0.000 0.786 554 T N -5.020 109.365 114.554 -0.283 0.000 3.084 554 T HA 0.514 4.845 4.350 -0.032 0.000 0.270 554 T C 0.856 175.395 174.700 -0.267 0.000 1.008 554 T CA 0.101 62.064 62.100 -0.228 0.000 0.900 554 T CB 0.071 68.875 68.868 -0.106 0.000 1.084 554 T HN 0.331 nan 8.240 nan 0.000 0.538 555 G N 1.388 110.083 108.800 -0.175 0.000 2.712 555 G HA2 -0.143 3.798 3.960 -0.032 0.000 0.683 555 G HA3 -0.143 3.798 3.960 -0.032 0.000 0.683 555 G C -0.258 174.608 174.900 -0.055 0.000 1.320 555 G CA -0.131 44.893 45.100 -0.126 0.000 0.847 555 G HN 0.142 nan 8.290 nan 0.000 0.553 556 D N -0.583 119.732 120.400 -0.141 0.000 2.194 556 D HA 0.063 4.684 4.640 -0.032 0.000 0.204 556 D C 0.863 176.681 176.300 -0.804 0.000 0.964 556 D CA 1.462 55.209 54.000 -0.421 0.000 0.846 556 D CB 0.014 40.397 40.800 -0.695 0.000 0.962 556 D HN 0.223 nan 8.370 nan 0.000 0.490 557 F N 0.469 120.344 119.950 -0.126 0.000 2.451 557 F HA 0.210 4.717 4.527 -0.032 0.000 0.367 557 F C 1.149 176.855 175.800 -0.156 0.000 1.100 557 F CA -0.595 57.303 58.000 -0.171 0.000 1.171 557 F CB 1.201 40.084 39.000 -0.194 0.000 1.405 557 F HN -0.352 nan 8.300 nan 0.000 0.482 558 V N 0.124 119.965 119.914 -0.122 0.000 2.453 558 V HA -0.201 3.900 4.120 -0.032 0.000 0.247 558 V C 1.267 177.222 176.094 -0.233 0.000 1.048 558 V CA 0.827 62.967 62.300 -0.268 0.000 1.049 558 V CB -0.525 31.053 31.823 -0.409 0.000 0.672 558 V HN 0.658 nan 8.190 nan 0.000 0.457 559 N N 1.401 120.019 118.700 -0.136 0.000 2.374 559 N HA -0.076 4.644 4.740 -0.032 0.000 0.269 559 N C 0.487 175.941 175.510 -0.093 0.000 1.310 559 N CA 0.745 53.727 53.050 -0.113 0.000 0.877 559 N CB -0.338 38.094 38.487 -0.090 0.000 1.096 559 N HN 0.464 nan 8.380 nan 0.000 0.484 560 Q N -0.004 119.735 119.800 -0.102 0.000 2.481 560 Q HA -0.303 4.018 4.340 -0.032 0.000 0.272 560 Q C -0.790 175.148 176.000 -0.104 0.000 1.157 560 Q CA 0.734 56.477 55.803 -0.101 0.000 0.935 560 Q CB -1.533 27.144 28.738 -0.101 0.000 1.338 560 Q HN 0.686 nan 8.270 nan 0.000 0.494 561 H N 0.046 119.009 119.070 -0.178 0.000 2.548 561 H HA 0.205 4.742 4.556 -0.032 0.000 0.331 561 H C 1.231 176.459 175.328 -0.167 0.000 1.093 561 H CA 0.748 56.702 56.048 -0.157 0.000 1.367 561 H CB 1.158 30.825 29.762 -0.158 0.000 1.455 561 H HN 0.271 nan 8.280 nan 0.000 0.519 562 S N 2.790 118.359 115.700 -0.218 0.000 2.440 562 S HA 0.061 4.512 4.470 -0.032 0.000 0.238 562 S C 1.010 175.631 174.600 0.034 0.000 1.010 562 S CA 0.555 58.690 58.200 -0.108 0.000 0.972 562 S CB -0.105 62.989 63.200 -0.177 0.000 0.774 562 S HN 1.080 nan 8.310 nan 0.000 0.501 563 G N -1.349 107.625 108.800 0.289 0.000 2.406 563 G HA2 0.481 4.422 3.960 -0.032 0.000 0.680 563 G HA3 0.481 4.422 3.960 -0.032 0.000 0.680 563 G C 0.416 175.345 174.900 0.048 0.000 1.338 563 G CA -0.040 45.113 45.100 0.089 0.000 0.941 563 G HN 1.532 nan 8.290 nan 0.000 0.633 564 G N -1.376 107.390 108.800 -0.058 0.000 2.199 564 G HA2 0.242 4.183 3.960 -0.032 0.000 0.254 564 G HA3 0.242 4.183 3.960 -0.032 0.000 0.254 564 G C 1.140 175.923 174.900 -0.195 0.000 0.982 564 G CA 1.360 46.407 45.100 -0.088 0.000 0.632 564 G HN 2.549 nan 8.290 nan 0.000 0.529 565 A N -0.173 122.450 122.820 -0.329 0.000 2.366 565 A HA 0.858 5.158 4.320 -0.032 0.000 0.249 565 A C 1.823 179.094 177.584 -0.521 0.000 1.084 565 A CA 1.809 53.568 52.037 -0.463 0.000 0.794 565 A CB 0.237 18.763 19.000 -0.789 0.000 1.034 565 A HN 2.488 nan 8.150 nan 0.000 0.491 566 G N -0.798 107.583 108.800 -0.698 0.000 2.498 566 G HA2 -0.217 3.724 3.960 -0.032 0.000 0.245 566 G HA3 -0.217 3.724 3.960 -0.032 0.000 0.245 566 G C 0.852 174.782 174.900 -1.617 0.000 1.204 566 G CA 0.197 44.627 45.100 -1.115 0.000 0.933 566 G HN 1.156 nan 8.290 nan 0.000 0.574 567 L N 1.688 122.160 121.223 -1.253 0.000 2.034 567 L HA -0.146 4.175 4.340 -0.032 0.000 0.217 567 L C 0.341 176.852 176.870 -0.598 0.000 1.077 567 L CA 2.898 57.110 54.840 -1.047 0.000 0.769 567 L CB -1.386 39.806 42.059 -1.445 0.000 0.890 567 L HN 0.428 nan 8.230 nan 0.000 0.435 568 P HA -0.133 nan 4.420 nan 0.000 0.215 568 P C 1.708 178.923 177.300 -0.142 0.000 1.153 568 P CA 1.471 64.486 63.100 -0.142 0.000 0.853 568 P CB 0.094 31.723 31.700 -0.118 0.000 0.788 569 S N -2.003 113.527 115.700 -0.283 0.000 2.371 569 S HA -0.125 4.326 4.470 -0.032 0.000 0.224 569 S C 1.722 176.305 174.600 -0.029 0.000 1.029 569 S CA 1.003 59.104 58.200 -0.166 0.000 0.978 569 S CB -1.013 62.065 63.200 -0.203 0.000 0.833 569 S HN 0.105 nan 8.310 nan 0.000 0.466 570 Y N 1.740 121.967 120.300 -0.122 0.000 2.114 570 Y HA 0.002 4.533 4.550 -0.032 0.000 0.284 570 Y C 2.306 178.182 175.900 -0.040 0.000 1.143 570 Y CA -0.367 57.672 58.100 -0.102 0.000 1.135 570 Y CB -1.111 37.244 38.460 -0.175 0.000 0.980 570 Y HN 0.173 nan 8.280 nan 0.000 0.499 571 I N 0.212 120.863 120.570 0.136 0.000 2.335 571 I HA -0.270 3.881 4.170 -0.032 0.000 0.251 571 I C 2.423 178.596 176.117 0.094 0.000 1.129 571 I CA 1.440 62.822 61.300 0.137 0.000 1.402 571 I CB -1.642 36.477 38.000 0.199 0.000 1.069 571 I HN 0.164 nan 8.210 nan 0.000 0.424 572 A N 0.136 122.997 122.820 0.068 0.000 2.125 572 A HA -0.207 4.094 4.320 -0.032 0.000 0.219 572 A C 2.124 179.737 177.584 0.048 0.000 1.156 572 A CA 1.069 53.135 52.037 0.048 0.000 0.671 572 A CB -0.550 18.467 19.000 0.029 0.000 0.794 572 A HN 0.561 nan 8.150 nan 0.000 0.459 573 Q N -1.290 118.546 119.800 0.059 0.000 2.369 573 Q HA -0.070 4.251 4.340 -0.032 0.000 0.206 573 Q C 0.089 176.116 176.000 0.045 0.000 0.963 573 Q CA 0.422 56.254 55.803 0.048 0.000 0.894 573 Q CB -0.023 28.744 28.738 0.048 0.000 0.965 573 Q HN 0.593 nan 8.270 nan 0.000 0.475 574 D N 1.011 121.443 120.400 0.053 0.000 2.686 574 D HA -0.173 4.448 4.640 -0.032 0.000 0.235 574 D C -0.891 175.437 176.300 0.047 0.000 1.160 574 D CA 0.619 54.649 54.000 0.050 0.000 0.645 574 D CB -0.576 40.247 40.800 0.039 0.000 1.039 574 D HN 0.218 nan 8.370 nan 0.000 0.423 575 R N 0.311 120.843 120.500 0.053 0.000 2.577 575 R HA 0.351 4.672 4.340 -0.032 0.000 0.269 575 R C 0.209 176.542 176.300 0.054 0.000 1.084 575 R CA -0.560 55.569 56.100 0.048 0.000 1.163 575 R CB 0.406 30.734 30.300 0.046 0.000 1.100 575 R HN 0.171 nan 8.270 nan 0.000 0.547 576 D N 1.647 122.077 120.400 0.049 0.000 2.343 576 D HA 0.054 4.675 4.640 -0.032 0.000 0.255 576 D C 0.487 176.825 176.300 0.063 0.000 1.187 576 D CA -0.108 53.924 54.000 0.052 0.000 0.875 576 D CB 0.550 41.376 40.800 0.044 0.000 1.136 576 D HN 0.547 nan 8.370 nan 0.000 0.469 577 I N -0.095 120.517 120.570 0.070 0.000 4.050 577 I HA 0.351 4.502 4.170 -0.032 0.000 0.327 577 I C 0.120 176.285 176.117 0.079 0.000 1.473 577 I CA -0.487 60.863 61.300 0.083 0.000 1.124 577 I CB 0.490 38.549 38.000 0.099 0.000 1.129 577 I HN 0.097 nan 8.210 nan 0.000 0.428 578 D N 3.056 123.496 120.400 0.067 0.000 2.494 578 D HA 0.344 4.965 4.640 -0.032 0.000 0.217 578 D C 1.044 177.380 176.300 0.060 0.000 1.153 578 D CA 0.548 54.586 54.000 0.063 0.000 0.954 578 D CB 0.402 41.234 40.800 0.054 0.000 1.034 578 D HN 0.570 nan 8.370 nan 0.000 0.518 579 G N 3.215 112.056 108.800 0.067 0.000 2.370 579 G HA2 -0.175 3.766 3.960 -0.032 0.000 0.268 579 G HA3 -0.175 3.766 3.960 -0.032 0.000 0.268 579 G C -0.100 174.842 174.900 0.070 0.000 1.122 579 G CA -0.325 44.814 45.100 0.065 0.000 0.963 579 G HN 0.476 nan 8.290 nan 0.000 0.500 580 Q N -0.771 119.078 119.800 0.082 0.000 2.857 580 Q HA 0.388 4.709 4.340 -0.032 0.000 0.319 580 Q C -1.044 175.018 176.000 0.103 0.000 0.963 580 Q CA -0.912 54.941 55.803 0.083 0.000 0.770 580 Q CB 0.909 29.691 28.738 0.074 0.000 1.492 580 Q HN 0.227 nan 8.270 nan 0.000 0.493 581 D N 2.178 122.630 120.400 0.087 0.000 2.359 581 D HA 0.222 4.843 4.640 -0.032 0.000 0.250 581 D C -0.376 175.992 176.300 0.113 0.000 1.264 581 D CA -0.060 53.983 54.000 0.071 0.000 0.911 581 D CB -0.032 40.715 40.800 -0.088 0.000 1.056 581 D HN 0.375 nan 8.370 nan 0.000 0.499 582 I N 0.927 121.575 120.570 0.130 0.000 3.067 582 I HA 0.621 4.772 4.170 -0.032 0.000 0.312 582 I C -0.979 175.206 176.117 0.113 0.000 1.073 582 I CA -1.080 60.302 61.300 0.137 0.000 1.016 582 I CB 1.309 39.386 38.000 0.129 0.000 1.227 582 I HN -0.049 nan 8.210 nan 0.000 0.456 583 V N 3.301 123.280 119.914 0.110 0.000 2.588 583 V HA 0.501 4.602 4.120 -0.032 0.000 0.304 583 V C -0.108 175.971 176.094 -0.025 0.000 1.042 583 V CA -0.717 61.560 62.300 -0.038 0.000 0.877 583 V CB 1.922 33.657 31.823 -0.147 0.000 0.996 583 V HN 0.591 nan 8.190 nan 0.000 0.425 584 V N 3.556 123.392 119.914 -0.131 0.000 2.427 584 V HA 0.472 4.573 4.120 -0.032 0.000 0.286 584 V C -1.148 174.883 176.094 -0.105 0.000 1.034 584 V CA -0.472 61.827 62.300 -0.001 0.000 0.893 584 V CB 1.636 33.458 31.823 -0.003 0.000 0.982 584 V HN 0.920 nan 8.190 nan 0.000 0.452 585 W N 3.966 125.316 121.300 0.082 0.000 2.336 585 W HA 0.506 5.146 4.660 -0.032 0.000 0.315 585 W C -0.177 176.438 176.519 0.161 0.000 1.016 585 W CA -0.662 56.733 57.345 0.084 0.000 1.318 585 W CB 0.496 29.979 29.460 0.038 0.000 1.247 585 W HN 0.592 nan 8.180 nan 0.000 0.414 586 H N 1.717 120.869 119.070 0.136 0.000 2.519 586 H HA 0.512 5.049 4.556 -0.031 0.000 0.316 586 H C -0.315 175.189 175.328 0.292 0.000 1.065 586 H CA -0.179 55.909 56.048 0.067 0.000 1.264 586 H CB 0.985 30.573 29.762 -0.289 0.000 1.413 586 H HN 0.182 nan 8.280 nan 0.000 0.465 587 T N 7.224 121.763 114.554 -0.025 0.000 2.806 587 T HA 0.443 4.774 4.350 -0.032 0.000 0.290 587 T C -1.019 173.583 174.700 -0.163 0.000 0.966 587 T CA -0.244 61.872 62.100 0.027 0.000 1.060 587 T CB -0.215 68.764 68.868 0.186 0.000 0.927 587 T HN 0.503 nan 8.240 nan 0.000 0.485 588 F N -0.202 119.649 119.950 -0.166 0.000 2.665 588 F HA 0.842 5.350 4.527 -0.031 0.000 0.308 588 F C -0.271 175.635 175.800 0.178 0.000 1.112 588 F CA -1.118 56.847 58.000 -0.058 0.000 0.972 588 F CB 1.030 39.971 39.000 -0.099 0.000 1.295 588 F HN 0.831 nan 8.300 nan 0.000 0.440 589 G N 1.429 110.349 108.800 0.200 0.000 2.488 589 G HA2 0.573 4.514 3.960 -0.032 0.000 0.301 589 G HA3 0.573 4.514 3.960 -0.032 0.000 0.301 589 G C -2.533 172.473 174.900 0.177 0.000 1.339 589 G CA -1.109 44.102 45.100 0.186 0.000 0.803 589 G HN 0.833 nan 8.290 nan 0.000 0.482 590 L N 0.301 121.617 121.223 0.156 0.000 2.334 590 L HA 0.622 4.943 4.340 -0.032 0.000 0.276 590 L C -0.123 176.735 176.870 -0.019 0.000 1.014 590 L CA -0.744 54.150 54.840 0.089 0.000 0.815 590 L CB 2.442 44.563 42.059 0.103 0.000 1.268 590 L HN 0.444 nan 8.230 nan 0.000 0.428 591 T N 0.616 115.112 114.554 -0.097 0.000 2.756 591 T HA 0.250 4.581 4.350 -0.032 0.000 0.290 591 T C -0.685 173.779 174.700 -0.393 0.000 0.985 591 T CA -0.253 61.673 62.100 -0.289 0.000 0.955 591 T CB 0.146 68.865 68.868 -0.249 0.000 0.930 591 T HN 0.419 nan 8.240 nan 0.000 0.451 592 H N 2.933 121.572 119.070 -0.718 0.000 2.541 592 H HA 0.402 4.939 4.556 -0.031 0.000 0.316 592 H C -1.137 173.684 175.328 -0.846 0.000 1.043 592 H CA -1.073 54.573 56.048 -0.670 0.000 1.232 592 H CB 0.424 29.821 29.762 -0.608 0.000 1.406 592 H HN 0.451 nan 8.280 nan 0.000 0.469 593 F N 6.329 126.197 119.950 -0.135 0.000 2.363 593 F HA 0.273 4.780 4.527 -0.033 0.000 0.366 593 F C -2.102 173.652 175.800 -0.077 0.000 1.083 593 F CA -2.565 55.231 58.000 -0.340 0.000 1.176 593 F CB 0.782 39.464 39.000 -0.531 0.000 1.432 593 F HN 0.509 nan 8.300 nan 0.000 0.482 594 P HA -0.019 nan 4.420 nan 0.000 0.261 594 P C -0.202 177.186 177.300 0.147 0.000 1.165 594 P CA 0.478 63.549 63.100 -0.048 0.000 0.759 594 P CB 0.523 32.171 31.700 -0.086 0.000 0.772 595 R N 1.974 122.586 120.500 0.188 0.000 2.607 595 R HA 0.319 4.640 4.340 -0.032 0.000 0.261 595 R C 1.263 177.644 176.300 0.135 0.000 1.051 595 R CA -1.016 55.170 56.100 0.142 0.000 1.110 595 R CB 0.334 30.714 30.300 0.134 0.000 1.158 595 R HN 0.114 nan 8.270 nan 0.000 0.543 596 V N 1.303 121.275 119.914 0.097 0.000 2.490 596 V HA -0.215 3.886 4.120 -0.032 0.000 0.250 596 V C 1.487 177.674 176.094 0.154 0.000 1.061 596 V CA 1.837 64.203 62.300 0.110 0.000 1.064 596 V CB -0.563 31.299 31.823 0.065 0.000 0.670 596 V HN 0.690 nan 8.190 nan 0.000 0.461 597 E N 0.060 120.332 120.200 0.119 0.000 2.333 597 E HA -0.160 4.170 4.350 -0.032 0.000 0.198 597 E C 1.614 178.285 176.600 0.119 0.000 1.007 597 E CA 0.877 57.338 56.400 0.102 0.000 0.845 597 E CB -0.228 29.515 29.700 0.072 0.000 0.766 597 E HN 0.593 nan 8.360 nan 0.000 0.507 598 D N -1.022 119.484 120.400 0.177 0.000 2.349 598 D HA -0.060 4.561 4.640 -0.032 0.000 0.224 598 D C -0.203 176.244 176.300 0.244 0.000 1.029 598 D CA 0.251 54.370 54.000 0.198 0.000 0.879 598 D CB 0.128 41.096 40.800 0.280 0.000 0.906 598 D HN 0.221 nan 8.370 nan 0.000 0.528 599 W N 2.331 123.654 121.300 0.039 0.000 2.606 599 W HA 0.213 4.853 4.660 -0.035 0.000 0.332 599 W C -1.947 174.596 176.519 0.040 0.000 1.052 599 W CA -2.012 55.356 57.345 0.038 0.000 1.223 599 W CB 2.179 31.661 29.460 0.036 0.000 1.383 599 W HN -0.214 nan 8.180 nan 0.000 0.524 600 P HA 0.095 nan 4.420 nan 0.000 0.240 600 P C -0.040 176.823 177.300 -0.728 0.000 1.190 600 P CA 0.815 63.021 63.100 -1.491 0.000 0.781 600 P CB 1.430 32.505 31.700 -1.042 0.000 0.931 601 I N 0.298 120.621 120.570 -0.411 0.000 2.607 601 I HA 0.314 4.465 4.170 -0.032 0.000 0.290 601 I C -0.632 175.352 176.117 -0.220 0.000 1.129 601 I CA -1.860 59.193 61.300 -0.411 0.000 1.042 601 I CB 2.390 39.899 38.000 -0.819 0.000 1.242 601 I HN -0.258 nan 8.210 nan 0.000 0.421 602 M N 9.300 128.816 119.600 -0.139 0.000 2.216 602 M HA 0.635 5.096 4.480 -0.032 0.000 0.356 602 M C -2.591 173.664 176.300 -0.076 0.000 1.205 602 M CA -1.358 53.912 55.300 -0.050 0.000 1.122 602 M CB 1.056 33.682 32.600 0.043 0.000 1.571 602 M HN 0.216 nan 8.290 nan 0.000 0.464 603 P HA 0.110 nan 4.420 nan 0.000 0.275 603 P C -0.440 176.832 177.300 -0.048 0.000 1.228 603 P CA -0.373 62.696 63.100 -0.052 0.000 0.786 603 P CB 0.850 32.530 31.700 -0.033 0.000 0.927 604 V N 2.918 122.805 119.914 -0.044 0.000 2.720 604 V HA -0.065 4.036 4.120 -0.032 0.000 0.307 604 V C 0.778 176.836 176.094 -0.059 0.000 1.071 604 V CA 1.159 63.435 62.300 -0.041 0.000 1.199 604 V CB -0.234 31.578 31.823 -0.018 0.000 0.900 604 V HN 0.671 nan 8.190 nan 0.000 0.494 605 D N 2.199 122.550 120.400 -0.081 0.000 2.575 605 D HA 0.669 5.290 4.640 -0.032 0.000 0.236 605 D C -0.301 175.948 176.300 -0.086 0.000 1.075 605 D CA -0.213 53.734 54.000 -0.088 0.000 0.860 605 D CB 2.245 42.963 40.800 -0.136 0.000 1.475 605 D HN 0.742 nan 8.370 nan 0.000 0.474 606 T N -0.955 113.561 114.554 -0.064 0.000 2.916 606 T HA 0.802 5.133 4.350 -0.032 0.000 0.292 606 T C -0.886 173.820 174.700 0.010 0.000 1.064 606 T CA -0.815 61.243 62.100 -0.070 0.000 1.011 606 T CB 1.557 70.369 68.868 -0.093 0.000 1.152 606 T HN 0.286 nan 8.240 nan 0.000 0.510 607 V N -0.391 119.524 119.914 0.002 0.000 3.225 607 V HA 0.849 4.950 4.120 -0.032 0.000 0.293 607 V C -0.228 175.862 176.094 -0.007 0.000 1.405 607 V CA 0.534 62.923 62.300 0.148 0.000 1.038 607 V CB 1.671 33.635 31.823 0.235 0.000 1.123 607 V HN 1.684 nan 8.190 nan 0.000 0.447 608 G N 2.774 111.433 108.800 -0.236 0.000 2.393 608 G HA2 0.717 4.658 3.960 -0.032 0.000 0.264 608 G HA3 0.717 4.658 3.960 -0.032 0.000 0.264 608 G C -1.423 172.931 174.900 -0.909 0.000 1.221 608 G CA 0.246 45.001 45.100 -0.577 0.000 0.912 608 G HN 1.968 nan 8.290 nan 0.000 0.483 609 F N -1.015 118.557 119.950 -0.631 0.000 2.858 609 F HA 0.847 5.355 4.527 -0.032 0.000 0.319 609 F C -1.133 174.623 175.800 -0.073 0.000 1.166 609 F CA -0.911 56.886 58.000 -0.340 0.000 0.899 609 F CB 1.423 40.242 39.000 -0.302 0.000 1.332 609 F HN 0.849 nan 8.300 nan 0.000 0.461 610 K N 0.863 121.399 120.400 0.226 0.000 2.555 610 K HA 0.826 5.127 4.320 -0.032 0.000 0.279 610 K C -2.507 174.319 176.600 0.378 0.000 0.986 610 K CA -1.044 55.359 56.287 0.194 0.000 0.880 610 K CB 2.583 35.159 32.500 0.126 0.000 1.474 610 K HN 0.732 nan 8.250 nan 0.000 0.433 611 L N 1.393 122.840 121.223 0.375 0.000 2.385 611 L HA 0.577 4.898 4.340 -0.032 0.000 0.273 611 L C -0.631 176.500 176.870 0.434 0.000 0.990 611 L CA -0.549 54.549 54.840 0.432 0.000 0.821 611 L CB 2.102 44.436 42.059 0.457 0.000 1.279 611 L HN 0.586 nan 8.230 nan 0.000 0.412 612 R N 2.536 123.222 120.500 0.310 0.000 2.711 612 R HA 0.591 4.912 4.340 -0.032 0.000 0.284 612 R C -2.589 173.498 176.300 -0.356 0.000 0.968 612 R CA -1.997 54.152 56.100 0.082 0.000 0.924 612 R CB 1.485 31.847 30.300 0.104 0.000 1.162 612 R HN 0.254 nan 8.270 nan 0.000 0.465 613 P HA -0.045 nan 4.420 nan 0.000 0.266 613 P C -0.778 176.319 177.300 -0.337 0.000 1.195 613 P CA 0.213 62.717 63.100 -0.994 0.000 0.768 613 P CB 0.594 32.066 31.700 -0.380 0.000 0.838 614 E N 2.404 122.470 120.200 -0.223 0.000 2.675 614 E HA 0.435 4.766 4.350 -0.032 0.000 0.236 614 E C 0.562 177.170 176.600 0.013 0.000 1.059 614 E CA -0.358 56.014 56.400 -0.046 0.000 0.775 614 E CB -0.727 28.966 29.700 -0.012 0.000 1.356 614 E HN 0.577 nan 8.360 nan 0.000 0.403 615 G N 3.423 112.242 108.800 0.031 0.000 2.198 615 G HA2 -0.358 3.583 3.960 -0.032 0.000 0.260 615 G HA3 -0.358 3.583 3.960 -0.032 0.000 0.260 615 G C 0.480 175.395 174.900 0.026 0.000 1.025 615 G CA 0.455 45.575 45.100 0.033 0.000 0.769 615 G HN 0.540 nan 8.290 nan 0.000 0.507 616 F N -0.026 119.826 119.950 -0.163 0.000 2.187 616 F HA 0.477 4.985 4.527 -0.032 0.000 0.295 616 F C 1.291 176.829 175.800 -0.436 0.000 1.091 616 F CA 0.466 58.273 58.000 -0.321 0.000 1.308 616 F CB 0.066 38.777 39.000 -0.482 0.000 1.030 616 F HN 0.119 nan 8.300 nan 0.000 0.487 617 F N 0.373 120.334 119.950 0.019 0.000 2.457 617 F HA 0.242 4.750 4.527 -0.032 0.000 0.330 617 F C 1.334 177.093 175.800 -0.067 0.000 1.069 617 F CA -0.815 57.147 58.000 -0.064 0.000 1.009 617 F CB 0.355 39.333 39.000 -0.037 0.000 1.276 617 F HN -0.275 nan 8.300 nan 0.000 0.492 618 D N 0.156 120.642 120.400 0.144 0.000 2.340 618 D HA 0.077 4.698 4.640 -0.032 0.000 0.220 618 D C 0.313 176.646 176.300 0.055 0.000 1.039 618 D CA 0.541 54.576 54.000 0.058 0.000 0.866 618 D CB 0.256 41.072 40.800 0.028 0.000 0.913 618 D HN 0.531 nan 8.370 nan 0.000 0.523 619 R N -2.097 118.450 120.500 0.078 0.000 2.979 619 R HA 0.186 4.507 4.340 -0.032 0.000 0.286 619 R C -0.828 175.468 176.300 -0.007 0.000 0.972 619 R CA -0.753 55.363 56.100 0.026 0.000 0.828 619 R CB 0.310 30.612 30.300 0.004 0.000 1.368 619 R HN -0.170 nan 8.270 nan 0.000 0.511 620 S N 1.040 116.712 115.700 -0.046 0.000 2.563 620 S HA 0.109 4.560 4.470 -0.032 0.000 0.294 620 S C -1.296 173.196 174.600 -0.180 0.000 1.279 620 S CA -0.764 57.375 58.200 -0.102 0.000 1.069 620 S CB 0.468 63.630 63.200 -0.064 0.000 0.828 620 S HN 0.510 nan 8.310 nan 0.000 0.497 621 P HA 0.119 nan 4.420 nan 0.000 0.257 621 P C 0.423 177.610 177.300 -0.189 0.000 1.281 621 P CA 0.173 62.996 63.100 -0.463 0.000 0.826 621 P CB -0.180 30.761 31.700 -1.264 0.000 1.237 622 V N -3.970 115.882 119.914 -0.104 0.000 2.988 622 V HA 0.255 4.356 4.120 -0.032 0.000 0.356 622 V C 1.483 177.596 176.094 0.031 0.000 1.380 622 V CA -0.140 62.152 62.300 -0.014 0.000 1.184 622 V CB -0.680 31.158 31.823 0.025 0.000 1.204 622 V HN -0.128 nan 8.190 nan 0.000 0.530 623 L N 1.085 122.317 121.223 0.016 0.000 2.313 623 L HA 0.047 4.367 4.340 -0.032 0.000 0.214 623 L C 2.139 179.047 176.870 0.063 0.000 1.119 623 L CA 1.427 56.298 54.840 0.052 0.000 0.809 623 L CB -0.212 41.856 42.059 0.016 0.000 0.933 623 L HN 0.564 nan 8.230 nan 0.000 0.449 624 D N -0.400 120.018 120.400 0.030 0.000 2.328 624 D HA -0.011 4.610 4.640 -0.032 0.000 0.226 624 D C 0.568 176.876 176.300 0.013 0.000 1.066 624 D CA 0.045 54.058 54.000 0.021 0.000 0.861 624 D CB -0.129 40.673 40.800 0.003 0.000 0.912 624 D HN 0.017 nan 8.370 nan 0.000 0.521 625 V N 3.242 123.171 119.914 0.024 0.000 2.508 625 V HA 0.185 4.286 4.120 -0.032 0.000 0.281 625 V C -1.610 174.483 176.094 -0.002 0.000 1.041 625 V CA -1.174 61.130 62.300 0.006 0.000 1.016 625 V CB 1.001 32.834 31.823 0.017 0.000 0.984 625 V HN 0.159 nan 8.190 nan 0.000 0.478 626 P HA 0.193 nan 4.420 nan 0.000 0.274 626 P C 0.421 177.686 177.300 -0.058 0.000 1.237 626 P CA -0.208 62.876 63.100 -0.027 0.000 0.793 626 P CB 1.295 32.983 31.700 -0.020 0.000 0.977 627 A N 2.277 125.052 122.820 -0.074 0.000 1.855 627 A HA -0.132 4.168 4.320 -0.032 0.000 0.215 627 A C 0.681 178.220 177.584 -0.075 0.000 1.191 627 A CA 1.480 53.450 52.037 -0.112 0.000 0.613 627 A CB -1.553 17.385 19.000 -0.102 0.000 0.829 627 A HN 0.738 nan 8.150 nan 0.000 0.442 628 N N 0.000 118.673 118.700 -0.045 0.000 1.763 628 N HA 0.000 4.721 4.740 -0.032 0.000 0.220 628 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 628 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667