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 2cwu_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 PIRSWQNYFA TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.576 177.584 -0.013 0.000 1.274 9 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 9 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 10 S N 0.964 116.665 115.700 0.002 0.000 2.533 10 S HA 0.397 4.842 4.470 -0.041 0.000 0.282 10 S C -1.255 173.319 174.600 -0.043 0.000 1.304 10 S CA -0.559 57.652 58.200 0.018 0.000 1.063 10 S CB 0.742 63.989 63.200 0.078 0.000 0.881 10 S HN 0.189 nan 8.310 nan 0.000 0.493 11 P HA 0.062 nan 4.420 nan 0.000 0.230 11 P C 0.021 176.967 177.300 -0.590 0.000 1.158 11 P CA 0.857 63.726 63.100 -0.386 0.000 0.769 11 P CB 0.042 31.422 31.700 -0.533 0.000 0.807 12 F N -0.551 119.323 119.950 -0.126 0.000 2.664 12 F HA 0.175 4.678 4.527 -0.041 0.000 0.303 12 F C 1.372 177.097 175.800 -0.125 0.000 1.092 12 F CA -0.675 57.204 58.000 -0.203 0.000 1.305 12 F CB -0.355 38.507 39.000 -0.230 0.000 1.054 12 F HN -0.184 nan 8.300 nan 0.000 0.565 13 R N 0.789 121.309 120.500 0.033 0.000 2.734 13 R HA 0.255 4.570 4.340 -0.041 0.000 0.266 13 R C -0.159 176.159 176.300 0.029 0.000 1.044 13 R CA -0.440 55.687 56.100 0.045 0.000 1.128 13 R CB 0.427 30.745 30.300 0.030 0.000 1.010 13 R HN 0.152 nan 8.270 nan 0.000 0.461 14 L N 1.551 122.805 121.223 0.052 0.000 2.467 14 L HA 0.158 4.474 4.340 -0.041 0.000 0.270 14 L C 0.780 177.687 176.870 0.062 0.000 1.205 14 L CA -0.260 54.615 54.840 0.059 0.000 0.828 14 L CB 0.499 42.594 42.059 0.060 0.000 1.101 14 L HN 0.845 nan 8.230 nan 0.000 0.479 15 A N 2.090 124.963 122.820 0.088 0.000 2.425 15 A HA 0.384 4.680 4.320 -0.041 0.000 0.249 15 A C 0.326 177.974 177.584 0.108 0.000 1.084 15 A CA -0.253 51.876 52.037 0.154 0.000 0.781 15 A CB 0.257 19.417 19.000 0.266 0.000 1.019 15 A HN 0.757 nan 8.150 nan 0.000 0.490 16 S N 1.390 117.147 115.700 0.095 0.000 2.672 16 S HA 0.574 5.019 4.470 -0.041 0.000 0.276 16 S C 1.180 175.793 174.600 0.022 0.000 1.207 16 S CA -0.160 58.067 58.200 0.045 0.000 1.002 16 S CB 1.452 64.671 63.200 0.032 0.000 0.998 16 S HN 1.579 nan 8.310 nan 0.000 0.542 17 A N 1.863 124.685 122.820 0.003 0.000 1.940 17 A HA 0.119 4.414 4.320 -0.041 0.000 0.219 17 A C 2.146 179.709 177.584 -0.037 0.000 1.176 17 A CA 1.767 53.795 52.037 -0.015 0.000 0.631 17 A CB -1.794 17.198 19.000 -0.013 0.000 0.814 17 A HN 1.184 nan 8.150 nan 0.000 0.446 18 G N -0.523 108.259 108.800 -0.030 0.000 2.422 18 G HA2 -0.219 3.717 3.960 -0.041 0.000 0.218 18 G HA3 -0.219 3.717 3.960 -0.041 0.000 0.218 18 G C 1.414 176.264 174.900 -0.083 0.000 1.146 18 G CA 0.974 46.047 45.100 -0.045 0.000 0.769 18 G HN 0.667 nan 8.290 nan 0.000 0.547 19 E N -0.091 120.058 120.200 -0.086 0.000 2.110 19 E HA -0.089 4.236 4.350 -0.041 0.000 0.193 19 E C 2.512 178.876 176.600 -0.393 0.000 0.988 19 E CA 0.500 56.787 56.400 -0.189 0.000 0.804 19 E CB -0.050 29.617 29.700 -0.055 0.000 0.745 19 E HN 0.325 nan 8.360 nan 0.000 0.458 20 I N 1.289 121.691 120.570 -0.281 0.000 2.202 20 I HA -0.224 3.921 4.170 -0.041 0.000 0.242 20 I C 2.666 178.656 176.117 -0.212 0.000 1.091 20 I CA 1.426 62.554 61.300 -0.286 0.000 1.368 20 I CB -1.530 36.390 38.000 -0.132 0.000 1.058 20 I HN 0.084 nan 8.210 nan 0.000 0.410 21 S N 0.415 116.032 115.700 -0.138 0.000 2.419 21 S HA -0.198 4.247 4.470 -0.041 0.000 0.233 21 S C 1.868 176.402 174.600 -0.109 0.000 1.016 21 S CA 1.165 59.308 58.200 -0.096 0.000 0.974 21 S CB -0.344 62.818 63.200 -0.063 0.000 0.786 21 S HN 0.367 nan 8.310 nan 0.000 0.492 22 E N 1.444 121.557 120.200 -0.145 0.000 2.072 22 E HA -0.013 4.312 4.350 -0.041 0.000 0.190 22 E C 1.897 178.404 176.600 -0.155 0.000 0.982 22 E CA 1.007 57.328 56.400 -0.132 0.000 0.803 22 E CB -0.544 29.076 29.700 -0.132 0.000 0.755 22 E HN 0.356 nan 8.360 nan 0.000 0.453 23 V N 0.930 120.692 119.914 -0.253 0.000 2.343 23 V HA -0.287 3.808 4.120 -0.041 0.000 0.247 23 V C 2.555 178.575 176.094 -0.124 0.000 1.051 23 V CA 2.230 64.390 62.300 -0.232 0.000 1.036 23 V CB -0.606 30.994 31.823 -0.372 0.000 0.654 23 V HN 0.409 nan 8.190 nan 0.000 0.451 24 Q N 0.102 119.835 119.800 -0.112 0.000 2.061 24 Q HA -0.199 4.116 4.340 -0.041 0.000 0.204 24 Q C 2.258 178.237 176.000 -0.036 0.000 0.984 24 Q CA 2.246 58.017 55.803 -0.054 0.000 0.846 24 Q CB -0.537 28.178 28.738 -0.039 0.000 0.902 24 Q HN 0.644 nan 8.270 nan 0.000 0.421 25 G N 1.187 109.959 108.800 -0.046 0.000 2.418 25 G HA2 -0.213 3.722 3.960 -0.041 0.000 0.217 25 G HA3 -0.213 3.722 3.960 -0.041 0.000 0.217 25 G C 1.414 176.298 174.900 -0.026 0.000 1.158 25 G CA 0.802 45.883 45.100 -0.032 0.000 0.771 25 G HN 0.317 nan 8.290 nan 0.000 0.545 26 I N 0.947 121.495 120.570 -0.035 0.000 2.179 26 I HA -0.094 4.052 4.170 -0.041 0.000 0.242 26 I C 2.879 178.990 176.117 -0.010 0.000 1.088 26 I CA 0.857 62.143 61.300 -0.023 0.000 1.357 26 I CB -1.203 36.779 38.000 -0.029 0.000 1.051 26 I HN 0.165 nan 8.210 nan 0.000 0.409 27 L N -0.049 121.168 121.223 -0.010 0.000 2.017 27 L HA -0.208 4.107 4.340 -0.041 0.000 0.208 27 L C 2.841 179.716 176.870 0.009 0.000 1.073 27 L CA 1.384 56.227 54.840 0.005 0.000 0.745 27 L CB -0.632 41.432 42.059 0.009 0.000 0.894 27 L HN 0.176 nan 8.230 nan 0.000 0.432 28 R N -0.524 119.979 120.500 0.006 0.000 2.080 28 R HA -0.146 4.169 4.340 -0.041 0.000 0.236 28 R C 2.298 178.601 176.300 0.006 0.000 1.137 28 R CA 2.042 58.148 56.100 0.010 0.000 0.943 28 R CB -0.728 29.577 30.300 0.008 0.000 0.846 28 R HN 0.299 nan 8.270 nan 0.000 0.431 29 T N 0.636 115.190 114.554 0.000 0.000 2.803 29 T HA -0.126 4.200 4.350 -0.041 0.000 0.269 29 T C 1.661 176.362 174.700 0.002 0.000 1.052 29 T CA 1.364 63.464 62.100 -0.001 0.000 1.136 29 T CB -0.121 68.744 68.868 -0.004 0.000 0.864 29 T HN 0.380 nan 8.240 nan 0.000 0.467 30 A N 0.247 123.070 122.820 0.005 0.000 2.206 30 A HA 0.489 4.784 4.320 -0.041 0.000 0.211 30 A C 1.922 179.511 177.584 0.009 0.000 1.158 30 A CA 0.865 52.906 52.037 0.007 0.000 0.761 30 A CB -0.701 18.305 19.000 0.011 0.000 0.801 30 A HN 0.720 nan 8.150 nan 0.000 0.473 31 G N -1.244 107.561 108.800 0.009 0.000 2.136 31 G HA2 -0.228 3.707 3.960 -0.041 0.000 0.242 31 G HA3 -0.228 3.707 3.960 -0.041 0.000 0.242 31 G C 0.496 175.403 174.900 0.012 0.000 0.989 31 G CA 0.436 45.542 45.100 0.009 0.000 0.682 31 G HN 0.535 nan 8.290 nan 0.000 0.522 32 L N -1.047 120.186 121.223 0.016 0.000 2.667 32 L HA 0.475 4.790 4.340 -0.041 0.000 0.232 32 L C 1.049 177.935 176.870 0.026 0.000 1.138 32 L CA -0.001 54.851 54.840 0.021 0.000 0.921 32 L CB 0.520 42.595 42.059 0.028 0.000 1.180 32 L HN 0.173 nan 8.230 nan 0.000 0.487 33 L N 0.615 121.855 121.223 0.027 0.000 2.783 33 L HA 0.492 4.808 4.340 -0.041 0.000 0.265 33 L C 0.773 177.672 176.870 0.048 0.000 1.398 33 L CA -0.187 54.677 54.840 0.041 0.000 0.802 33 L CB 0.389 42.475 42.059 0.045 0.000 1.126 33 L HN -0.026 nan 8.230 nan 0.000 0.529 34 G N 0.481 109.302 108.800 0.036 0.000 2.683 34 G HA2 0.264 4.199 3.960 -0.041 0.000 0.260 34 G HA3 0.264 4.199 3.960 -0.041 0.000 0.260 34 G C -1.650 173.287 174.900 0.061 0.000 1.238 34 G CA -0.677 44.444 45.100 0.036 0.000 0.934 34 G HN 0.353 nan 8.290 nan 0.000 0.534 35 P HA -0.084 nan 4.420 nan 0.000 0.219 35 P C 1.606 178.967 177.300 0.102 0.000 1.146 35 P CA 1.329 64.479 63.100 0.083 0.000 0.808 35 P CB 0.237 31.964 31.700 0.045 0.000 0.779 36 E N -0.930 119.301 120.200 0.051 0.000 2.478 36 E HA -0.015 4.311 4.350 -0.041 0.000 0.194 36 E C 0.228 176.817 176.600 -0.018 0.000 1.045 36 E CA 0.621 57.031 56.400 0.017 0.000 0.868 36 E CB -0.193 29.496 29.700 -0.018 0.000 0.885 36 E HN 0.117 nan 8.360 nan 0.000 0.505 37 K N 1.476 121.883 120.400 0.011 0.000 2.118 37 K HA 0.381 4.677 4.320 -0.041 0.000 0.264 37 K C 0.246 176.829 176.600 -0.029 0.000 1.000 37 K CA -0.521 55.757 56.287 -0.016 0.000 0.929 37 K CB 1.152 33.659 32.500 0.013 0.000 1.021 37 K HN -0.032 nan 8.250 nan 0.000 0.463 38 R N 1.442 121.917 120.500 -0.041 0.000 2.651 38 R HA 0.408 4.723 4.340 -0.041 0.000 0.278 38 R C -0.418 175.874 176.300 -0.014 0.000 1.010 38 R CA -0.887 55.148 56.100 -0.109 0.000 0.896 38 R CB 1.259 31.529 30.300 -0.051 0.000 1.211 38 R HN 0.457 nan 8.270 nan 0.000 0.456 39 I N 2.619 123.147 120.570 -0.070 0.000 2.322 39 I HA 0.129 4.274 4.170 -0.041 0.000 0.292 39 I C 1.359 177.488 176.117 0.021 0.000 1.060 39 I CA 0.119 61.419 61.300 -0.001 0.000 1.309 39 I CB 0.696 38.670 38.000 -0.042 0.000 1.415 39 I HN 0.730 nan 8.210 nan 0.000 0.492 40 A N 6.775 129.672 122.820 0.129 0.000 2.081 40 A HA 0.021 4.316 4.320 -0.041 0.000 0.214 40 A C 0.396 178.100 177.584 0.199 0.000 1.158 40 A CA 0.642 52.774 52.037 0.158 0.000 0.724 40 A CB 0.189 19.328 19.000 0.232 0.000 0.826 40 A HN 0.648 nan 8.150 nan 0.000 0.463 41 Y N -1.954 118.355 120.300 0.014 0.000 2.474 41 Y HA 0.560 5.085 4.550 -0.042 0.000 0.326 41 Y C -1.859 173.926 175.900 -0.193 0.000 1.160 41 Y CA -1.212 56.787 58.100 -0.169 0.000 1.056 41 Y CB 1.162 39.339 38.460 -0.471 0.000 1.330 41 Y HN 0.152 nan 8.280 nan 0.000 0.447 42 L N 5.285 125.799 121.223 -1.182 0.000 2.543 42 L HA 0.955 5.270 4.340 -0.041 0.000 0.265 42 L C -1.262 175.088 176.870 -0.867 0.000 0.945 42 L CA -0.192 54.183 54.840 -0.775 0.000 0.869 42 L CB 2.032 43.922 42.059 -0.282 0.000 1.294 42 L HN 0.957 nan 8.230 nan 0.000 0.405 43 G N 2.768 111.239 108.800 -0.548 0.000 2.720 43 G HA2 0.466 4.401 3.960 -0.041 0.000 0.295 43 G HA3 0.466 4.401 3.960 -0.041 0.000 0.295 43 G C -1.903 172.814 174.900 -0.305 0.000 1.437 43 G CA -0.508 44.409 45.100 -0.306 0.000 0.886 43 G HN 0.522 nan 8.290 nan 0.000 0.509 44 V N 1.604 121.174 119.914 -0.574 0.000 2.686 44 V HA 0.566 4.661 4.120 -0.041 0.000 0.295 44 V C 0.184 176.022 176.094 -0.425 0.000 1.055 44 V CA -0.503 61.211 62.300 -0.977 0.000 1.050 44 V CB 0.790 32.013 31.823 -0.999 0.000 0.984 44 V HN 0.568 nan 8.190 nan 0.000 0.482 45 L N 5.572 126.580 121.223 -0.358 0.000 2.326 45 L HA 0.422 4.737 4.340 -0.041 0.000 0.278 45 L C 0.112 176.874 176.870 -0.181 0.000 1.092 45 L CA -0.659 54.075 54.840 -0.177 0.000 0.810 45 L CB 0.959 42.950 42.059 -0.112 0.000 1.153 45 L HN 0.628 nan 8.230 nan 0.000 0.439 46 D N 3.244 123.582 120.400 -0.104 0.000 2.368 46 D HA 0.167 4.783 4.640 -0.041 0.000 0.240 46 D C -2.040 174.177 176.300 -0.139 0.000 1.169 46 D CA -0.848 53.090 54.000 -0.103 0.000 0.906 46 D CB 0.310 41.148 40.800 0.064 0.000 1.187 46 D HN 0.251 nan 8.370 nan 0.000 0.435 47 P HA 0.198 nan 4.420 nan 0.000 0.268 47 P C -0.773 176.484 177.300 -0.072 0.000 1.204 47 P CA -0.124 62.854 63.100 -0.203 0.000 0.768 47 P CB 0.585 32.078 31.700 -0.345 0.000 0.842 48 A N 3.799 126.586 122.820 -0.055 0.000 2.346 48 A HA 0.216 4.511 4.320 -0.041 0.000 0.252 48 A C 0.428 177.991 177.584 -0.034 0.000 1.089 48 A CA -0.338 51.687 52.037 -0.020 0.000 0.797 48 A CB 0.140 19.130 19.000 -0.017 0.000 1.047 48 A HN 0.398 nan 8.150 nan 0.000 0.494 49 R N 0.261 120.728 120.500 -0.056 0.000 2.480 49 R HA 0.351 4.667 4.340 -0.041 0.000 0.303 49 R C 0.572 176.834 176.300 -0.063 0.000 0.985 49 R CA 1.348 57.373 56.100 -0.125 0.000 1.051 49 R CB -0.712 29.460 30.300 -0.213 0.000 0.935 49 R HN 1.752 nan 8.270 nan 0.000 0.410 50 G N 1.307 110.088 108.800 -0.032 0.000 3.448 50 G HA2 -0.018 3.917 3.960 -0.041 0.000 0.685 50 G HA3 -0.018 3.917 3.960 -0.041 0.000 0.685 50 G C 0.066 174.968 174.900 0.003 0.000 1.151 50 G CA -0.304 44.793 45.100 -0.005 0.000 1.023 50 G HN 0.651 nan 8.290 nan 0.000 0.499 51 A N 1.358 124.190 122.820 0.020 0.000 2.415 51 A HA 0.622 4.917 4.320 -0.041 0.000 0.248 51 A C 2.230 179.817 177.584 0.006 0.000 1.299 51 A CA 1.392 53.437 52.037 0.013 0.000 0.899 51 A CB -0.054 18.967 19.000 0.035 0.000 0.997 51 A HN 2.115 nan 8.150 nan 0.000 0.506 52 G N 0.467 109.269 108.800 0.004 0.000 2.559 52 G HA2 -0.016 3.919 3.960 -0.041 0.000 0.216 52 G HA3 -0.016 3.919 3.960 -0.041 0.000 0.216 52 G C 0.938 175.836 174.900 -0.004 0.000 1.126 52 G CA 0.935 46.036 45.100 0.002 0.000 0.778 52 G HN 0.785 nan 8.290 nan 0.000 0.543 53 S N 1.621 117.315 115.700 -0.010 0.000 3.363 53 S HA 0.348 4.794 4.470 -0.041 0.000 0.267 53 S C -0.029 174.560 174.600 -0.018 0.000 1.288 53 S CA -0.730 57.461 58.200 -0.014 0.000 0.948 53 S CB 0.607 63.795 63.200 -0.019 0.000 1.397 53 S HN 0.224 nan 8.310 nan 0.000 0.493 54 E N 2.136 122.328 120.200 -0.013 0.000 2.565 54 E HA 0.150 4.475 4.350 -0.041 0.000 0.268 54 E C 0.718 177.306 176.600 -0.020 0.000 1.000 54 E CA 1.026 57.418 56.400 -0.014 0.000 0.964 54 E CB -0.060 29.635 29.700 -0.009 0.000 0.955 54 E HN 1.307 nan 8.360 nan 0.000 0.459 55 A N 2.319 125.124 122.820 -0.024 0.000 1.524 55 A HA -0.162 4.133 4.320 -0.041 0.000 0.196 55 A C 0.447 178.007 177.584 -0.040 0.000 1.263 55 A CA 0.866 52.886 52.037 -0.029 0.000 0.624 55 A CB -0.883 18.105 19.000 -0.020 0.000 1.151 55 A HN 0.526 nan 8.150 nan 0.000 0.179 56 E N 2.360 122.523 120.200 -0.061 0.000 2.360 56 E HA 0.320 4.645 4.350 -0.041 0.000 0.269 56 E C -0.229 176.333 176.600 -0.064 0.000 1.022 56 E CA 0.003 56.354 56.400 -0.082 0.000 0.887 56 E CB 0.803 30.418 29.700 -0.141 0.000 0.990 56 E HN 0.591 nan 8.360 nan 0.000 0.426 57 D N 3.134 123.501 120.400 -0.055 0.000 2.365 57 D HA 0.056 4.671 4.640 -0.041 0.000 0.237 57 D C -0.508 175.771 176.300 -0.036 0.000 1.190 57 D CA -0.493 53.488 54.000 -0.031 0.000 0.867 57 D CB 0.366 41.154 40.800 -0.020 0.000 1.050 57 D HN 0.139 nan 8.370 nan 0.000 0.491 58 R N 4.156 124.649 120.500 -0.013 0.000 2.399 58 R HA 0.229 4.545 4.340 -0.041 0.000 0.324 58 R C 0.139 176.485 176.300 0.077 0.000 1.030 58 R CA 0.080 56.183 56.100 0.005 0.000 0.984 58 R CB 0.167 30.513 30.300 0.077 0.000 0.961 58 R HN 0.474 nan 8.270 nan 0.000 0.433 59 R N 2.404 122.905 120.500 0.000 0.000 2.711 59 R HA 0.489 4.804 4.340 -0.041 0.000 0.284 59 R C -0.693 175.603 176.300 -0.007 0.000 0.968 59 R CA -0.685 55.457 56.100 0.071 0.000 0.924 59 R CB 1.487 31.796 30.300 0.016 0.000 1.162 59 R HN 0.234 nan 8.270 nan 0.000 0.465 60 F N 0.637 120.573 119.950 -0.023 0.000 2.532 60 F HA 0.471 4.973 4.527 -0.041 0.000 0.321 60 F C 0.368 176.164 175.800 -0.006 0.000 1.089 60 F CA -0.814 57.166 58.000 -0.033 0.000 0.926 60 F CB 1.823 40.790 39.000 -0.054 0.000 1.168 60 F HN 0.169 nan 8.300 nan 0.000 0.459 61 R N 2.245 122.823 120.500 0.130 0.000 2.393 61 R HA 0.827 5.142 4.340 -0.041 0.000 0.310 61 R C -1.918 174.448 176.300 0.110 0.000 0.968 61 R CA -0.471 55.717 56.100 0.147 0.000 0.867 61 R CB 1.369 31.766 30.300 0.162 0.000 1.124 61 R HN 0.559 nan 8.270 nan 0.000 0.450 62 V N 4.865 124.884 119.914 0.174 0.000 2.760 62 V HA 0.481 4.576 4.120 -0.041 0.000 0.309 62 V C -1.091 175.262 176.094 0.432 0.000 1.077 62 V CA -0.853 61.540 62.300 0.155 0.000 0.910 62 V CB 1.931 33.823 31.823 0.114 0.000 1.008 62 V HN 0.568 nan 8.190 nan 0.000 0.424 63 F N 4.390 124.497 119.950 0.262 0.000 2.388 63 F HA 0.654 5.156 4.527 -0.042 0.000 0.358 63 F C -0.162 175.740 175.800 0.170 0.000 1.122 63 F CA -1.822 56.334 58.000 0.261 0.000 1.056 63 F CB 1.301 40.504 39.000 0.338 0.000 1.155 63 F HN 0.204 nan 8.300 nan 0.000 0.461 64 I N 3.630 124.384 120.570 0.307 0.000 2.339 64 I HA 0.222 4.367 4.170 -0.041 0.000 0.290 64 I C 0.047 176.262 176.117 0.164 0.000 0.994 64 I CA -0.565 60.846 61.300 0.185 0.000 1.191 64 I CB 0.800 38.868 38.000 0.113 0.000 1.343 64 I HN 0.456 nan 8.210 nan 0.000 0.458 65 H N 5.117 124.220 119.070 0.055 0.000 2.482 65 H HA 0.478 5.009 4.556 -0.041 0.000 0.344 65 H C -1.115 174.215 175.328 0.003 0.000 1.151 65 H CA -0.445 55.615 56.048 0.020 0.000 1.300 65 H CB 1.177 30.951 29.762 0.020 0.000 1.494 65 H HN 0.551 nan 8.280 nan 0.000 0.542 66 D N 4.139 124.112 120.400 -0.712 0.000 2.471 66 D HA 0.072 4.687 4.640 -0.041 0.000 0.245 66 D C 0.914 176.790 176.300 -0.707 0.000 1.116 66 D CA -0.494 53.197 54.000 -0.514 0.000 0.853 66 D CB 1.285 41.945 40.800 -0.233 0.000 1.123 66 D HN 0.488 nan 8.370 nan 0.000 0.540 67 V N 2.036 121.661 119.914 -0.481 0.000 3.444 67 V HA -0.019 4.076 4.120 -0.041 0.000 0.271 67 V C 1.501 177.538 176.094 -0.095 0.000 1.188 67 V CA 1.413 63.590 62.300 -0.206 0.000 1.168 67 V CB -0.147 31.659 31.823 -0.027 0.000 0.810 67 V HN 0.386 nan 8.190 nan 0.000 0.500 68 S N -0.044 115.587 115.700 -0.114 0.000 2.548 68 S HA 0.397 4.843 4.470 -0.041 0.000 0.215 68 S C 1.692 176.261 174.600 -0.051 0.000 0.976 68 S CA 1.058 59.222 58.200 -0.059 0.000 0.908 68 S CB 0.017 63.186 63.200 -0.051 0.000 0.781 68 S HN 1.564 nan 8.310 nan 0.000 0.519 69 G N 0.540 109.297 108.800 -0.071 0.000 2.213 69 G HA2 -0.149 3.786 3.960 -0.041 0.000 0.226 69 G HA3 -0.149 3.786 3.960 -0.041 0.000 0.226 69 G C 0.349 175.218 174.900 -0.051 0.000 0.992 69 G CA 0.009 45.084 45.100 -0.042 0.000 0.632 69 G HN 1.120 nan 8.290 nan 0.000 0.511 70 A N 0.599 123.380 122.820 -0.065 0.000 2.466 70 A HA 0.585 4.880 4.320 -0.041 0.000 0.238 70 A C 0.932 178.478 177.584 -0.063 0.000 1.074 70 A CA 0.428 52.431 52.037 -0.057 0.000 0.774 70 A CB 0.130 19.096 19.000 -0.056 0.000 1.015 70 A HN 0.585 nan 8.150 nan 0.000 0.498 71 R N 1.464 121.931 120.500 -0.054 0.000 2.585 71 R HA 0.119 4.434 4.340 -0.041 0.000 0.275 71 R C -2.013 174.250 176.300 -0.061 0.000 1.018 71 R CA -0.584 55.480 56.100 -0.060 0.000 1.072 71 R CB 0.056 30.321 30.300 -0.059 0.000 0.953 71 R HN 0.618 nan 8.270 nan 0.000 0.419 72 P HA 0.102 nan 4.420 nan 0.000 0.282 72 P C -1.153 176.113 177.300 -0.056 0.000 1.287 72 P CA -0.368 62.704 63.100 -0.046 0.000 0.792 72 P CB 0.957 32.632 31.700 -0.041 0.000 1.163 73 Q N -1.104 118.692 119.800 -0.007 0.000 2.416 73 Q HA 0.372 4.687 4.340 -0.041 0.000 0.281 73 Q C -1.027 175.035 176.000 0.103 0.000 1.067 73 Q CA -0.664 55.149 55.803 0.017 0.000 0.809 73 Q CB 2.589 31.350 28.738 0.038 0.000 1.418 73 Q HN 0.431 nan 8.270 nan 0.000 0.411 74 E N 1.641 121.916 120.200 0.125 0.000 2.145 74 E HA 0.493 4.818 4.350 -0.041 0.000 0.270 74 E C -1.487 175.248 176.600 0.224 0.000 0.906 74 E CA -0.516 56.053 56.400 0.283 0.000 0.761 74 E CB 1.314 31.192 29.700 0.295 0.000 1.116 74 E HN 0.313 nan 8.360 nan 0.000 0.408 75 V N 3.379 123.441 119.914 0.247 0.000 2.735 75 V HA 0.420 4.515 4.120 -0.041 0.000 0.310 75 V C -0.266 175.927 176.094 0.165 0.000 1.061 75 V CA -0.748 61.652 62.300 0.166 0.000 0.913 75 V CB 2.227 34.126 31.823 0.126 0.000 1.005 75 V HN 0.713 nan 8.190 nan 0.000 0.428 76 T N 3.793 118.423 114.554 0.127 0.000 2.792 76 T HA 0.676 5.001 4.350 -0.041 0.000 0.280 76 T C -0.483 174.274 174.700 0.095 0.000 0.990 76 T CA -0.421 61.750 62.100 0.117 0.000 0.960 76 T CB 1.510 70.436 68.868 0.097 0.000 0.939 76 T HN 0.804 nan 8.240 nan 0.000 0.439 77 V N 0.594 120.573 119.914 0.109 0.000 3.001 77 V HA 0.920 5.016 4.120 -0.041 0.000 0.314 77 V C -0.279 175.878 176.094 0.105 0.000 1.099 77 V CA -0.945 61.406 62.300 0.085 0.000 0.989 77 V CB 2.170 34.027 31.823 0.057 0.000 1.040 77 V HN 0.746 nan 8.190 nan 0.000 0.434 78 S N 1.392 117.134 115.700 0.070 0.000 2.448 78 S HA 0.443 4.889 4.470 -0.041 0.000 0.320 78 S C 0.691 175.323 174.600 0.054 0.000 1.071 78 S CA -0.050 58.193 58.200 0.071 0.000 1.113 78 S CB 1.043 64.267 63.200 0.040 0.000 0.972 78 S HN 1.856 nan 8.310 nan 0.000 0.465 79 V N 3.648 123.610 119.914 0.080 0.000 2.871 79 V HA 0.033 4.128 4.120 -0.041 0.000 0.256 79 V C 1.933 178.038 176.094 0.019 0.000 1.082 79 V CA 1.693 64.003 62.300 0.017 0.000 1.105 79 V CB -1.601 30.216 31.823 -0.010 0.000 0.713 79 V HN 0.776 nan 8.190 nan 0.000 0.473 80 T N 1.830 116.405 114.554 0.036 0.000 2.708 80 T HA -0.098 4.227 4.350 -0.041 0.000 0.266 80 T C 1.651 176.356 174.700 0.009 0.000 1.037 80 T CA 2.130 64.242 62.100 0.019 0.000 1.146 80 T CB -0.390 68.488 68.868 0.016 0.000 0.865 80 T HN 0.576 nan 8.240 nan 0.000 0.435 81 N N 0.190 118.896 118.700 0.011 0.000 2.236 81 N HA 0.179 4.894 4.740 -0.041 0.000 0.196 81 N C 1.199 176.711 175.510 0.003 0.000 1.114 81 N CA 0.572 53.626 53.050 0.006 0.000 0.859 81 N CB 0.573 39.064 38.487 0.007 0.000 0.982 81 N HN 0.512 nan 8.380 nan 0.000 0.493 82 G N 1.828 110.629 108.800 0.002 0.000 2.295 82 G HA2 -0.267 3.669 3.960 -0.041 0.000 0.287 82 G HA3 -0.267 3.669 3.960 -0.041 0.000 0.287 82 G C 0.145 175.045 174.900 -0.000 0.000 1.055 82 G CA 1.021 46.118 45.100 -0.006 0.000 0.922 82 G HN 0.503 nan 8.290 nan 0.000 0.503 83 T N -3.862 110.696 114.554 0.008 0.000 2.901 83 T HA 0.700 5.025 4.350 -0.041 0.000 0.293 83 T C -0.325 174.387 174.700 0.020 0.000 1.084 83 T CA -0.622 61.485 62.100 0.012 0.000 1.008 83 T CB 2.719 71.594 68.868 0.012 0.000 1.170 83 T HN 0.766 nan 8.240 nan 0.000 0.509 84 V N 3.388 123.315 119.914 0.021 0.000 2.348 84 V HA 0.202 4.297 4.120 -0.041 0.000 0.270 84 V C 1.119 177.232 176.094 0.032 0.000 1.037 84 V CA -0.694 61.624 62.300 0.030 0.000 0.872 84 V CB 0.360 32.200 31.823 0.028 0.000 1.002 84 V HN 0.801 nan 8.190 nan 0.000 0.464 85 I N 3.258 123.851 120.570 0.039 0.000 2.233 85 I HA -0.003 4.142 4.170 -0.041 0.000 0.243 85 I C 1.076 177.215 176.117 0.037 0.000 1.093 85 I CA 1.231 62.553 61.300 0.036 0.000 1.380 85 I CB -0.482 37.541 38.000 0.039 0.000 1.067 85 I HN 0.779 nan 8.210 nan 0.000 0.413 86 S N -0.461 115.268 115.700 0.048 0.000 2.547 86 S HA 0.803 5.249 4.470 -0.041 0.000 0.270 86 S C -0.900 173.736 174.600 0.061 0.000 1.150 86 S CA -0.608 57.621 58.200 0.049 0.000 0.850 86 S CB 2.567 65.797 63.200 0.050 0.000 1.118 86 S HN 0.302 nan 8.310 nan 0.000 0.461 87 A N 1.566 124.418 122.820 0.052 0.000 2.446 87 A HA 0.707 5.002 4.320 -0.041 0.000 0.282 87 A C -1.156 176.454 177.584 0.044 0.000 1.102 87 A CA -0.657 51.413 52.037 0.056 0.000 0.737 87 A CB 1.125 20.151 19.000 0.044 0.000 1.212 87 A HN 1.130 nan 8.150 nan 0.000 0.434 88 V N 2.235 122.179 119.914 0.051 0.000 2.417 88 V HA 0.353 4.449 4.120 -0.041 0.000 0.291 88 V C 0.321 176.416 176.094 0.002 0.000 1.024 88 V CA -0.591 61.725 62.300 0.027 0.000 0.861 88 V CB 1.618 33.463 31.823 0.036 0.000 0.985 88 V HN 0.966 nan 8.190 nan 0.000 0.436 89 E N 3.723 123.913 120.200 -0.017 0.000 2.344 89 E HA 0.396 4.722 4.350 -0.041 0.000 0.270 89 E C -1.100 175.453 176.600 -0.080 0.000 1.021 89 E CA -0.298 56.077 56.400 -0.042 0.000 0.887 89 E CB 0.760 30.439 29.700 -0.035 0.000 0.997 89 E HN 0.526 nan 8.360 nan 0.000 0.429 90 L N 3.524 124.669 121.223 -0.130 0.000 2.322 90 L HA 0.304 4.619 4.340 -0.041 0.000 0.279 90 L C -0.033 176.727 176.870 -0.182 0.000 1.036 90 L CA -0.684 54.027 54.840 -0.215 0.000 0.807 90 L CB 1.299 43.116 42.059 -0.403 0.000 1.226 90 L HN 0.504 nan 8.230 nan 0.000 0.433 91 D N 1.040 121.335 120.400 -0.174 0.000 2.485 91 D HA 0.083 4.698 4.640 -0.041 0.000 0.229 91 D C 1.203 177.406 176.300 -0.161 0.000 1.101 91 D CA -0.296 53.624 54.000 -0.132 0.000 0.906 91 D CB 1.382 42.126 40.800 -0.092 0.000 1.019 91 D HN 0.686 nan 8.370 nan 0.000 0.516 92 T N 0.769 115.220 114.554 -0.172 0.000 2.803 92 T HA -0.170 4.155 4.350 -0.041 0.000 0.269 92 T C 1.847 176.473 174.700 -0.123 0.000 1.052 92 T CA 1.105 63.099 62.100 -0.176 0.000 1.136 92 T CB -0.103 68.677 68.868 -0.146 0.000 0.864 92 T HN 0.263 nan 8.240 nan 0.000 0.467 93 A N 1.241 124.000 122.820 -0.102 0.000 2.019 93 A HA 0.430 4.725 4.320 -0.041 0.000 0.219 93 A C 2.631 180.149 177.584 -0.111 0.000 1.164 93 A CA 1.620 53.600 52.037 -0.096 0.000 0.644 93 A CB -1.008 17.946 19.000 -0.076 0.000 0.805 93 A HN 0.774 nan 8.150 nan 0.000 0.449 94 A N -0.897 121.866 122.820 -0.096 0.000 1.909 94 A HA 0.125 4.420 4.320 -0.041 0.000 0.209 94 A C 2.191 179.761 177.584 -0.025 0.000 1.247 94 A CA 1.757 53.747 52.037 -0.078 0.000 0.660 94 A CB -0.745 18.222 19.000 -0.056 0.000 0.910 94 A HN 0.657 nan 8.150 nan 0.000 0.465 95 T N -3.323 111.223 114.554 -0.014 0.000 3.086 95 T HA 0.474 4.799 4.350 -0.041 0.000 0.250 95 T C 0.845 175.648 174.700 0.172 0.000 1.074 95 T CA 0.833 62.989 62.100 0.093 0.000 0.988 95 T CB -0.093 68.763 68.868 -0.020 0.000 0.988 95 T HN 1.903 nan 8.240 nan 0.000 0.530 96 G N 0.921 109.756 108.800 0.057 0.000 2.587 96 G HA2 0.057 3.993 3.960 -0.041 0.000 0.686 96 G HA3 0.057 3.993 3.960 -0.041 0.000 0.686 96 G C -1.097 173.743 174.900 -0.100 0.000 1.236 96 G CA -1.062 44.074 45.100 0.059 0.000 0.820 96 G HN 0.238 nan 8.290 nan 0.000 0.645 97 E N -0.105 120.062 120.200 -0.055 0.000 2.345 97 E HA 0.515 4.841 4.350 -0.041 0.000 0.259 97 E C 1.098 177.685 176.600 -0.021 0.000 1.117 97 E CA -0.501 55.852 56.400 -0.079 0.000 0.913 97 E CB 0.887 30.553 29.700 -0.056 0.000 1.057 97 E HN 0.503 nan 8.360 nan 0.000 0.432 98 L N 1.588 122.796 121.223 -0.024 0.000 2.466 98 L HA 0.242 4.557 4.340 -0.041 0.000 0.257 98 L C -1.948 174.959 176.870 0.060 0.000 1.189 98 L CA -1.849 53.046 54.840 0.091 0.000 0.813 98 L CB -0.169 41.947 42.059 0.096 0.000 1.118 98 L HN 0.139 nan 8.230 nan 0.000 0.471 99 P HA -0.026 nan 4.420 nan 0.000 0.267 99 P C -0.614 176.685 177.300 -0.002 0.000 1.201 99 P CA -0.241 62.894 63.100 0.058 0.000 0.775 99 P CB 0.377 32.154 31.700 0.128 0.000 0.854 100 V N 3.655 123.535 119.914 -0.058 0.000 2.655 100 V HA -0.022 4.073 4.120 -0.041 0.000 0.300 100 V C 0.762 176.910 176.094 0.091 0.000 1.044 100 V CA 0.256 62.539 62.300 -0.027 0.000 1.095 100 V CB -0.304 31.443 31.823 -0.127 0.000 0.952 100 V HN 0.322 nan 8.190 nan 0.000 0.485 101 L N 3.491 124.751 121.223 0.061 0.000 2.350 101 L HA 0.312 4.627 4.340 -0.041 0.000 0.275 101 L C 1.584 178.460 176.870 0.010 0.000 1.099 101 L CA -0.098 54.759 54.840 0.029 0.000 0.808 101 L CB 0.959 43.003 42.059 -0.025 0.000 1.149 101 L HN 0.750 nan 8.230 nan 0.000 0.442 102 E N 1.886 121.997 120.200 -0.148 0.000 2.118 102 E HA -0.245 4.080 4.350 -0.041 0.000 0.195 102 E C 1.467 177.883 176.600 -0.307 0.000 0.992 102 E CA 1.755 57.837 56.400 -0.530 0.000 0.804 102 E CB 0.244 29.786 29.700 -0.264 0.000 0.741 102 E HN 0.796 nan 8.360 nan 0.000 0.458 103 E N -0.028 120.125 120.200 -0.079 0.000 2.472 103 E HA -0.169 4.157 4.350 -0.041 0.000 0.200 103 E C 1.422 178.081 176.600 0.098 0.000 1.046 103 E CA 0.814 57.229 56.400 0.025 0.000 0.871 103 E CB -0.021 29.704 29.700 0.042 0.000 0.806 103 E HN 0.321 nan 8.360 nan 0.000 0.533 104 E N -0.360 119.927 120.200 0.144 0.000 2.385 104 E HA -0.011 4.315 4.350 -0.041 0.000 0.194 104 E C 0.985 177.789 176.600 0.341 0.000 1.013 104 E CA -0.048 56.474 56.400 0.204 0.000 0.866 104 E CB 0.027 29.828 29.700 0.167 0.000 0.832 104 E HN 0.215 nan 8.360 nan 0.000 0.500 105 F N 1.973 121.990 119.950 0.111 0.000 2.091 105 F HA -0.207 4.295 4.527 -0.040 0.000 0.299 105 F C 2.023 177.875 175.800 0.088 0.000 1.103 105 F CA 1.352 59.426 58.000 0.123 0.000 1.228 105 F CB -0.656 38.430 39.000 0.143 0.000 0.984 105 F HN 0.058 nan 8.300 nan 0.000 0.477 106 E N -0.042 120.330 120.200 0.287 0.000 2.208 106 E HA -0.121 4.204 4.350 -0.041 0.000 0.193 106 E C 2.310 178.972 176.600 0.104 0.000 0.988 106 E CA 1.261 57.760 56.400 0.165 0.000 0.828 106 E CB -0.311 29.470 29.700 0.136 0.000 0.763 106 E HN 0.382 nan 8.360 nan 0.000 0.478 107 V N -0.948 119.028 119.914 0.104 0.000 2.469 107 V HA -0.234 3.861 4.120 -0.041 0.000 0.251 107 V C 2.142 178.242 176.094 0.011 0.000 1.064 107 V CA 1.425 63.760 62.300 0.057 0.000 1.066 107 V CB -0.795 31.067 31.823 0.064 0.000 0.667 107 V HN 0.038 nan 8.190 nan 0.000 0.461 108 V N 0.887 120.807 119.914 0.010 0.000 2.237 108 V HA -0.295 3.801 4.120 -0.041 0.000 0.245 108 V C 2.757 178.773 176.094 -0.131 0.000 1.046 108 V CA 2.657 64.918 62.300 -0.064 0.000 1.007 108 V CB -0.892 30.904 31.823 -0.044 0.000 0.638 108 V HN 0.758 nan 8.190 nan 0.000 0.445 109 E N -0.142 120.016 120.200 -0.070 0.000 2.077 109 E HA -0.284 4.041 4.350 -0.041 0.000 0.193 109 E C 2.256 178.816 176.600 -0.067 0.000 0.989 109 E CA 1.628 57.983 56.400 -0.073 0.000 0.800 109 E CB -0.114 29.597 29.700 0.017 0.000 0.746 109 E HN 0.708 nan 8.360 nan 0.000 0.452 110 Q N 0.172 119.956 119.800 -0.025 0.000 2.084 110 Q HA -0.143 4.172 4.340 -0.041 0.000 0.202 110 Q C 2.487 178.464 176.000 -0.038 0.000 0.978 110 Q CA 1.327 57.125 55.803 -0.010 0.000 0.844 110 Q CB -0.070 28.678 28.738 0.017 0.000 0.898 110 Q HN 0.380 nan 8.270 nan 0.000 0.426 111 L N 0.324 121.506 121.223 -0.069 0.000 2.027 111 L HA -0.181 4.134 4.340 -0.041 0.000 0.206 111 L C 2.332 179.120 176.870 -0.136 0.000 1.074 111 L CA 0.903 55.694 54.840 -0.082 0.000 0.745 111 L CB -0.398 41.610 42.059 -0.085 0.000 0.898 111 L HN 0.252 nan 8.230 nan 0.000 0.433 112 L N -0.218 120.839 121.223 -0.276 0.000 2.131 112 L HA -0.182 4.133 4.340 -0.041 0.000 0.210 112 L C 2.775 179.527 176.870 -0.196 0.000 1.092 112 L CA 0.942 55.490 54.840 -0.488 0.000 0.759 112 L CB -0.708 40.598 42.059 -1.254 0.000 0.903 112 L HN 0.248 nan 8.230 nan 0.000 0.435 113 A N -0.230 122.552 122.820 -0.062 0.000 2.131 113 A HA -0.178 4.117 4.320 -0.041 0.000 0.220 113 A C 2.110 179.751 177.584 0.096 0.000 1.158 113 A CA 2.029 54.126 52.037 0.101 0.000 0.665 113 A CB -0.694 18.349 19.000 0.072 0.000 0.795 113 A HN 0.537 nan 8.150 nan 0.000 0.460 114 T N -3.815 110.768 114.554 0.047 0.000 3.044 114 T HA 0.163 4.488 4.350 -0.041 0.000 0.260 114 T C 0.137 174.866 174.700 0.049 0.000 1.019 114 T CA 0.032 62.159 62.100 0.045 0.000 0.921 114 T CB -0.057 68.825 68.868 0.023 0.000 1.053 114 T HN 0.331 nan 8.240 nan 0.000 0.533 115 D N 1.607 122.046 120.400 0.066 0.000 2.277 115 D HA 0.096 4.712 4.640 -0.041 0.000 0.249 115 D C 0.624 176.993 176.300 0.116 0.000 1.134 115 D CA -0.215 53.828 54.000 0.072 0.000 0.863 115 D CB 1.364 42.195 40.800 0.052 0.000 1.143 115 D HN 0.036 nan 8.370 nan 0.000 0.458 116 E N 3.794 124.037 120.200 0.072 0.000 2.118 116 E HA -0.186 4.140 4.350 -0.041 0.000 0.195 116 E C 1.859 178.499 176.600 0.066 0.000 0.992 116 E CA 0.994 57.430 56.400 0.059 0.000 0.804 116 E CB 0.013 29.733 29.700 0.032 0.000 0.741 116 E HN 0.571 nan 8.360 nan 0.000 0.458 117 R N -0.052 120.493 120.500 0.076 0.000 2.073 117 R HA -0.097 4.219 4.340 -0.041 0.000 0.234 117 R C 2.314 178.682 176.300 0.114 0.000 1.134 117 R CA 1.423 57.565 56.100 0.070 0.000 0.952 117 R CB -0.411 29.925 30.300 0.060 0.000 0.850 117 R HN 0.349 nan 8.270 nan 0.000 0.433 118 W N 1.579 122.854 121.300 -0.041 0.000 2.355 118 W HA -0.166 4.486 4.660 -0.014 0.000 0.309 118 W C 1.516 178.018 176.519 -0.029 0.000 1.206 118 W CA 1.311 58.633 57.345 -0.039 0.000 1.284 118 W CB -0.189 29.250 29.460 -0.034 0.000 1.145 118 W HN 0.090 nan 8.180 nan 0.000 0.502 119 L N 0.848 122.148 121.223 0.128 0.000 2.079 119 L HA -0.261 4.054 4.340 -0.041 0.000 0.210 119 L C 2.573 179.403 176.870 -0.067 0.000 1.081 119 L CA 1.569 56.416 54.840 0.013 0.000 0.752 119 L CB -0.806 41.291 42.059 0.064 0.000 0.896 119 L HN -0.096 nan 8.230 nan 0.000 0.433 120 K N -0.040 120.333 120.400 -0.044 0.000 2.097 120 K HA -0.129 4.167 4.320 -0.041 0.000 0.206 120 K C 2.252 178.785 176.600 -0.111 0.000 1.049 120 K CA 1.285 57.536 56.287 -0.060 0.000 0.933 120 K CB -0.229 32.251 32.500 -0.034 0.000 0.717 120 K HN 0.286 nan 8.250 nan 0.000 0.442 121 A N 1.451 124.171 122.820 -0.167 0.000 1.902 121 A HA -0.117 4.178 4.320 -0.041 0.000 0.217 121 A C 2.101 179.513 177.584 -0.287 0.000 1.181 121 A CA 1.202 53.097 52.037 -0.236 0.000 0.623 121 A CB -0.552 18.250 19.000 -0.330 0.000 0.818 121 A HN 0.138 nan 8.150 nan 0.000 0.443 122 L N -0.985 120.020 121.223 -0.363 0.000 2.072 122 L HA -0.130 4.185 4.340 -0.041 0.000 0.205 122 L C 3.093 179.860 176.870 -0.172 0.000 1.079 122 L CA 0.968 55.623 54.840 -0.308 0.000 0.752 122 L CB -0.662 41.200 42.059 -0.329 0.000 0.906 122 L HN 0.432 nan 8.230 nan 0.000 0.436 123 A N 0.371 123.113 122.820 -0.131 0.000 1.933 123 A HA -0.167 4.128 4.320 -0.041 0.000 0.218 123 A C 2.529 180.066 177.584 -0.078 0.000 1.175 123 A CA 1.702 53.689 52.037 -0.083 0.000 0.628 123 A CB -0.634 18.329 19.000 -0.060 0.000 0.814 123 A HN 0.395 nan 8.150 nan 0.000 0.444 124 A N -0.361 122.406 122.820 -0.089 0.000 2.019 124 A HA -0.131 4.164 4.320 -0.041 0.000 0.219 124 A C 2.117 179.656 177.584 -0.075 0.000 1.164 124 A CA 1.462 53.453 52.037 -0.076 0.000 0.644 124 A CB -0.335 18.617 19.000 -0.079 0.000 0.805 124 A HN 0.555 nan 8.150 nan 0.000 0.449 125 R N -0.702 119.742 120.500 -0.093 0.000 2.334 125 R HA 0.101 4.417 4.340 -0.041 0.000 0.216 125 R C -0.328 175.928 176.300 -0.073 0.000 0.905 125 R CA 0.173 56.223 56.100 -0.084 0.000 1.064 125 R CB 0.104 30.340 30.300 -0.107 0.000 1.046 125 R HN 0.473 nan 8.270 nan 0.000 0.508 126 N N 1.040 119.698 118.700 -0.070 0.000 2.740 126 N HA -0.180 4.535 4.740 -0.041 0.000 0.248 126 N C -1.073 174.402 175.510 -0.058 0.000 1.062 126 N CA 0.955 53.972 53.050 -0.056 0.000 0.704 126 N CB -1.305 37.156 38.487 -0.043 0.000 0.968 126 N HN 0.274 nan 8.380 nan 0.000 0.547 127 L N 0.189 121.367 121.223 -0.075 0.000 2.296 127 L HA 0.322 4.638 4.340 -0.041 0.000 0.286 127 L C 0.696 177.534 176.870 -0.054 0.000 1.023 127 L CA -0.837 53.960 54.840 -0.071 0.000 0.812 127 L CB 1.557 43.556 42.059 -0.100 0.000 1.223 127 L HN -0.065 nan 8.230 nan 0.000 0.421 128 D N 2.322 122.703 120.400 -0.032 0.000 2.358 128 D HA -0.026 4.589 4.640 -0.041 0.000 0.258 128 D C 0.910 177.212 176.300 0.003 0.000 1.223 128 D CA 0.202 54.195 54.000 -0.012 0.000 0.886 128 D CB 1.857 42.656 40.800 -0.003 0.000 1.120 128 D HN 0.339 nan 8.370 nan 0.000 0.482 129 V N 4.179 124.103 119.914 0.016 0.000 2.453 129 V HA -0.282 3.814 4.120 -0.041 0.000 0.252 129 V C 2.129 178.265 176.094 0.069 0.000 1.068 129 V CA 2.916 65.251 62.300 0.058 0.000 1.070 129 V CB -0.440 31.434 31.823 0.085 0.000 0.664 129 V HN 0.726 nan 8.190 nan 0.000 0.461 130 S N -1.093 114.635 115.700 0.047 0.000 2.474 130 S HA -0.103 4.343 4.470 -0.041 0.000 0.235 130 S C 1.681 176.304 174.600 0.038 0.000 0.997 130 S CA 1.126 59.353 58.200 0.045 0.000 0.949 130 S CB -0.366 62.855 63.200 0.035 0.000 0.766 130 S HN 0.754 nan 8.310 nan 0.000 0.517 131 K N 0.677 121.095 120.400 0.030 0.000 2.358 131 K HA 0.303 4.598 4.320 -0.041 0.000 0.197 131 K C -0.738 175.874 176.600 0.020 0.000 1.025 131 K CA -0.072 56.225 56.287 0.016 0.000 1.104 131 K CB 0.966 33.468 32.500 0.003 0.000 0.855 131 K HN 0.202 nan 8.250 nan 0.000 0.531 132 V N 3.402 123.346 119.914 0.050 0.000 2.348 132 V HA 0.202 4.297 4.120 -0.041 0.000 0.270 132 V C 0.149 176.308 176.094 0.109 0.000 1.037 132 V CA -0.739 61.608 62.300 0.079 0.000 0.872 132 V CB 0.716 32.606 31.823 0.112 0.000 1.002 132 V HN 0.158 nan 8.190 nan 0.000 0.464 133 R N 3.378 123.925 120.500 0.078 0.000 2.459 133 R HA 0.628 4.944 4.340 -0.041 0.000 0.281 133 R C -0.799 175.587 176.300 0.144 0.000 1.050 133 R CA -0.489 55.648 56.100 0.062 0.000 1.055 133 R CB 1.834 32.104 30.300 -0.050 0.000 1.045 133 R HN 0.445 nan 8.270 nan 0.000 0.495 134 V N 1.842 121.833 119.914 0.129 0.000 2.483 134 V HA 0.401 4.496 4.120 -0.041 0.000 0.297 134 V C 0.045 176.226 176.094 0.145 0.000 1.027 134 V CA -1.197 61.205 62.300 0.170 0.000 0.855 134 V CB 1.709 33.578 31.823 0.076 0.000 0.995 134 V HN 0.864 nan 8.190 nan 0.000 0.424 135 A N 7.477 130.447 122.820 0.250 0.000 2.409 135 A HA 0.627 4.922 4.320 -0.041 0.000 0.267 135 A C -2.158 175.520 177.584 0.157 0.000 1.127 135 A CA -1.262 50.906 52.037 0.220 0.000 0.795 135 A CB 0.182 19.447 19.000 0.443 0.000 1.061 135 A HN 0.609 nan 8.150 nan 0.000 0.502 136 P HA 0.293 nan 4.420 nan 0.000 0.262 136 P C -0.812 176.534 177.300 0.076 0.000 1.620 136 P CA 0.144 63.244 63.100 -0.000 0.000 1.089 136 P CB 0.186 31.819 31.700 -0.112 0.000 1.601 137 L N 2.146 123.482 121.223 0.188 0.000 2.357 137 L HA 0.371 4.686 4.340 -0.041 0.000 0.273 137 L C 1.294 178.345 176.870 0.301 0.000 1.080 137 L CA -0.808 54.221 54.840 0.316 0.000 0.803 137 L CB 0.990 43.318 42.059 0.448 0.000 1.174 137 L HN 0.276 nan 8.230 nan 0.000 0.443 138 S N 0.806 116.753 115.700 0.410 0.000 2.573 138 S HA 0.239 4.684 4.470 -0.041 0.000 0.277 138 S C 0.811 175.576 174.600 0.275 0.000 1.346 138 S CA -0.123 58.243 58.200 0.276 0.000 1.034 138 S CB 1.462 64.868 63.200 0.344 0.000 0.879 138 S HN 0.735 nan 8.310 nan 0.000 0.528 139 A N 2.488 125.394 122.820 0.143 0.000 1.943 139 A HA 0.576 4.872 4.320 -0.041 0.000 0.213 139 A C 1.529 179.287 177.584 0.290 0.000 1.181 139 A CA 0.689 52.777 52.037 0.085 0.000 0.653 139 A CB -1.501 17.468 19.000 -0.052 0.000 0.833 139 A HN 2.316 nan 8.150 nan 0.000 0.451 140 G N -1.882 107.060 108.800 0.236 0.000 2.698 140 G HA2 -0.019 3.917 3.960 -0.041 0.000 0.233 140 G HA3 -0.019 3.917 3.960 -0.041 0.000 0.233 140 G C -0.460 174.440 174.900 -0.001 0.000 1.352 140 G CA -0.262 44.949 45.100 0.185 0.000 0.879 140 G HN 1.139 nan 8.290 nan 0.000 0.567 141 V N 0.874 120.567 119.914 -0.368 0.000 2.525 141 V HA 0.783 4.879 4.120 -0.041 0.000 0.299 141 V C -0.088 175.528 176.094 -0.797 0.000 1.034 141 V CA -0.299 61.779 62.300 -0.370 0.000 0.863 141 V CB 1.283 32.936 31.823 -0.284 0.000 0.999 141 V HN 0.743 nan 8.190 nan 0.000 0.423 142 F N 1.621 121.514 119.950 -0.095 0.000 3.336 142 F HA 0.407 4.911 4.527 -0.039 0.000 0.214 142 F C 1.509 177.149 175.800 -0.267 0.000 1.614 142 F CA -0.552 57.337 58.000 -0.184 0.000 0.939 142 F CB 0.324 39.176 39.000 -0.248 0.000 1.865 142 F HN 0.448 nan 8.300 nan 0.000 0.306 143 E N 0.755 120.803 120.200 -0.252 0.000 2.465 143 E HA -0.009 4.316 4.350 -0.041 0.000 0.191 143 E C -0.886 175.594 176.600 -0.201 0.000 1.053 143 E CA 0.156 56.411 56.400 -0.242 0.000 0.869 143 E CB -0.797 28.784 29.700 -0.198 0.000 0.977 143 E HN 0.654 nan 8.360 nan 0.000 0.483 144 Y N 1.044 121.392 120.300 0.081 0.000 2.627 144 Y HA 0.405 4.931 4.550 -0.041 0.000 0.347 144 Y C 1.661 177.573 175.900 0.019 0.000 1.099 144 Y CA -0.362 57.768 58.100 0.049 0.000 1.408 144 Y CB 0.930 39.408 38.460 0.030 0.000 1.247 144 Y HN 0.079 nan 8.280 nan 0.000 0.506 145 A N 2.275 125.179 122.820 0.141 0.000 2.024 145 A HA -0.208 4.088 4.320 -0.041 0.000 0.220 145 A C 2.126 179.747 177.584 0.062 0.000 1.164 145 A CA 1.701 53.780 52.037 0.070 0.000 0.643 145 A CB -0.223 18.807 19.000 0.049 0.000 0.806 145 A HN 0.774 nan 8.150 nan 0.000 0.451 146 E N 0.660 120.910 120.200 0.084 0.000 2.482 146 E HA -0.139 4.186 4.350 -0.041 0.000 0.196 146 E C 1.007 177.630 176.600 0.037 0.000 1.047 146 E CA 1.087 57.517 56.400 0.050 0.000 0.869 146 E CB -0.371 29.356 29.700 0.045 0.000 0.836 146 E HN 0.773 nan 8.360 nan 0.000 0.520 147 E N 1.343 121.576 120.200 0.055 0.000 2.318 147 E HA 0.006 4.332 4.350 -0.041 0.000 0.193 147 E C 0.455 177.056 176.600 0.000 0.000 0.998 147 E CA -0.156 56.260 56.400 0.027 0.000 0.859 147 E CB 0.015 29.744 29.700 0.048 0.000 0.812 147 E HN 0.275 nan 8.360 nan 0.000 0.492 148 R N 0.715 121.212 120.500 -0.004 0.000 2.446 148 R HA 0.127 4.442 4.340 -0.041 0.000 0.314 148 R C 0.711 176.990 176.300 -0.034 0.000 1.003 148 R CA 0.910 56.990 56.100 -0.032 0.000 1.018 148 R CB 0.092 30.368 30.300 -0.040 0.000 0.945 148 R HN 0.197 nan 8.270 nan 0.000 0.419 149 G N 2.834 111.607 108.800 -0.045 0.000 2.213 149 G HA2 -0.281 3.655 3.960 -0.041 0.000 0.236 149 G HA3 -0.281 3.655 3.960 -0.041 0.000 0.236 149 G C 0.055 174.937 174.900 -0.031 0.000 0.991 149 G CA -0.086 44.988 45.100 -0.043 0.000 0.629 149 G HN 0.615 nan 8.290 nan 0.000 0.517 150 R N 0.056 120.542 120.500 -0.024 0.000 2.540 150 R HA 0.607 4.923 4.340 -0.041 0.000 0.287 150 R C 0.221 176.511 176.300 -0.018 0.000 0.980 150 R CA -0.858 55.234 56.100 -0.015 0.000 0.966 150 R CB 1.247 31.541 30.300 -0.010 0.000 1.106 150 R HN 0.156 nan 8.270 nan 0.000 0.480 151 R N 3.497 123.994 120.500 -0.006 0.000 2.248 151 R HA 0.211 4.526 4.340 -0.041 0.000 0.337 151 R C -0.506 175.783 176.300 -0.019 0.000 1.106 151 R CA -0.187 55.906 56.100 -0.012 0.000 0.959 151 R CB 0.226 30.532 30.300 0.011 0.000 1.075 151 R HN 0.434 nan 8.270 nan 0.000 0.480 152 I N 5.412 125.962 120.570 -0.034 0.000 2.607 152 I HA 0.413 4.559 4.170 -0.041 0.000 0.305 152 I C -0.031 176.055 176.117 -0.052 0.000 0.995 152 I CA -0.916 60.355 61.300 -0.049 0.000 1.148 152 I CB 1.720 39.673 38.000 -0.079 0.000 1.323 152 I HN 0.570 nan 8.210 nan 0.000 0.461 153 L N 4.702 125.891 121.223 -0.056 0.000 2.422 153 L HA 0.522 4.837 4.340 -0.041 0.000 0.264 153 L C -0.357 176.462 176.870 -0.084 0.000 0.984 153 L CA -0.768 54.046 54.840 -0.044 0.000 0.819 153 L CB 2.758 44.815 42.059 -0.004 0.000 1.330 153 L HN 0.533 nan 8.230 nan 0.000 0.410 154 R N 0.718 121.144 120.500 -0.123 0.000 2.604 154 R HA 0.728 5.043 4.340 -0.041 0.000 0.287 154 R C -0.235 176.056 176.300 -0.015 0.000 0.970 154 R CA -0.757 55.236 56.100 -0.179 0.000 0.946 154 R CB 2.058 31.926 30.300 -0.721 0.000 1.127 154 R HN 0.743 nan 8.270 nan 0.000 0.473 155 G N 2.114 110.925 108.800 0.020 0.000 2.513 155 G HA2 0.598 4.533 3.960 -0.041 0.000 0.317 155 G HA3 0.598 4.533 3.960 -0.041 0.000 0.317 155 G C -1.017 174.022 174.900 0.232 0.000 1.277 155 G CA -0.605 44.548 45.100 0.088 0.000 0.955 155 G HN 0.281 nan 8.290 nan 0.000 0.484 156 L N 1.489 122.913 121.223 0.336 0.000 2.362 156 L HA 0.699 5.014 4.340 -0.041 0.000 0.275 156 L C 0.503 177.502 176.870 0.216 0.000 0.998 156 L CA -0.998 54.032 54.840 0.317 0.000 0.820 156 L CB 2.185 44.509 42.059 0.440 0.000 1.270 156 L HN 0.642 nan 8.230 nan 0.000 0.415 157 A N 3.084 125.932 122.820 0.046 0.000 2.304 157 A HA 0.842 5.138 4.320 -0.041 0.000 0.301 157 A C -1.143 176.133 177.584 -0.514 0.000 1.132 157 A CA -0.123 51.907 52.037 -0.011 0.000 0.819 157 A CB 0.430 19.496 19.000 0.111 0.000 1.094 157 A HN 0.512 nan 8.150 nan 0.000 0.492 158 F N 0.593 120.508 119.950 -0.058 0.000 2.581 158 F HA 0.451 4.955 4.527 -0.038 0.000 0.311 158 F C -0.179 175.563 175.800 -0.098 0.000 1.113 158 F CA -0.706 57.211 58.000 -0.137 0.000 0.935 158 F CB 2.342 41.129 39.000 -0.355 0.000 1.232 158 F HN 0.316 nan 8.300 nan 0.000 0.445 159 V N 2.436 122.422 119.914 0.120 0.000 2.465 159 V HA 0.345 4.441 4.120 -0.041 0.000 0.279 159 V C -0.410 175.734 176.094 0.083 0.000 1.045 159 V CA -0.595 61.742 62.300 0.062 0.000 0.938 159 V CB 1.407 33.227 31.823 -0.005 0.000 0.986 159 V HN 0.766 nan 8.190 nan 0.000 0.467 160 Q N 2.846 122.640 119.800 -0.009 0.000 2.381 160 Q HA 0.246 4.561 4.340 -0.041 0.000 0.263 160 Q C 0.062 176.006 176.000 -0.093 0.000 1.030 160 Q CA -0.615 55.141 55.803 -0.079 0.000 0.772 160 Q CB 1.250 29.915 28.738 -0.123 0.000 1.232 160 Q HN 0.773 nan 8.270 nan 0.000 0.476 161 D N 3.472 123.800 120.400 -0.121 0.000 2.178 161 D HA -0.036 4.579 4.640 -0.041 0.000 0.201 161 D C 0.145 176.545 176.300 0.168 0.000 0.980 161 D CA 1.301 55.311 54.000 0.017 0.000 0.842 161 D CB 0.113 40.998 40.800 0.142 0.000 0.948 161 D HN 0.438 nan 8.370 nan 0.000 0.472 162 F N -3.733 116.215 119.950 -0.003 0.000 2.686 162 F HA 0.378 4.875 4.527 -0.049 0.000 0.311 162 F C -2.199 173.595 175.800 -0.010 0.000 1.128 162 F CA -2.103 55.891 58.000 -0.011 0.000 0.946 162 F CB 0.468 39.456 39.000 -0.021 0.000 1.336 162 F HN -0.405 nan 8.300 nan 0.000 0.457 163 P HA -0.227 nan 4.420 nan 0.000 0.218 163 P C 0.341 177.637 177.300 -0.006 0.000 1.152 163 P CA 2.156 65.289 63.100 0.055 0.000 0.857 163 P CB 0.200 31.956 31.700 0.094 0.000 0.787 164 E N -0.890 119.349 120.200 0.065 0.000 2.463 164 E HA 0.063 4.388 4.350 -0.041 0.000 0.193 164 E C 0.165 176.608 176.600 -0.263 0.000 1.041 164 E CA -0.363 56.035 56.400 -0.004 0.000 0.879 164 E CB -0.111 29.681 29.700 0.153 0.000 0.997 164 E HN 0.270 nan 8.360 nan 0.000 0.478 165 D N 0.660 120.594 120.400 -0.777 0.000 2.341 165 D HA 0.003 4.618 4.640 -0.041 0.000 0.245 165 D C -0.515 175.539 176.300 -0.411 0.000 1.106 165 D CA 0.033 53.461 54.000 -0.953 0.000 0.905 165 D CB 1.137 41.056 40.800 -1.469 0.000 1.202 165 D HN -0.167 nan 8.370 nan 0.000 0.426 166 S N 2.376 117.914 115.700 -0.270 0.000 2.411 166 S HA 0.410 4.855 4.470 -0.041 0.000 0.304 166 S C 1.092 175.599 174.600 -0.155 0.000 1.098 166 S CA -0.226 57.893 58.200 -0.135 0.000 1.068 166 S CB 0.199 63.371 63.200 -0.046 0.000 1.032 166 S HN 0.513 nan 8.310 nan 0.000 0.511 167 A N 4.954 127.585 122.820 -0.316 0.000 2.024 167 A HA -0.059 4.237 4.320 -0.041 0.000 0.220 167 A C 1.435 178.842 177.584 -0.295 0.000 1.164 167 A CA 1.066 52.914 52.037 -0.314 0.000 0.643 167 A CB -0.764 17.951 19.000 -0.476 0.000 0.806 167 A HN 0.994 nan 8.150 nan 0.000 0.451 168 W N -0.226 121.021 121.300 -0.088 0.000 2.387 168 W HA 0.003 4.643 4.660 -0.033 0.000 0.272 168 W C 2.396 179.019 176.519 0.172 0.000 1.224 168 W CA 0.757 58.055 57.345 -0.078 0.000 1.210 168 W CB -0.153 29.260 29.460 -0.077 0.000 1.125 168 W HN 0.373 nan 8.180 nan 0.000 0.572 169 A N -0.553 122.419 122.820 0.253 0.000 2.119 169 A HA -0.066 4.230 4.320 -0.041 0.000 0.217 169 A C 0.194 177.627 177.584 -0.250 0.000 1.153 169 A CA 0.811 52.906 52.037 0.097 0.000 0.692 169 A CB -0.839 18.127 19.000 -0.057 0.000 0.799 169 A HN 0.485 nan 8.150 nan 0.000 0.458 170 H N -0.175 119.016 119.070 0.202 0.000 2.386 170 H HA 0.258 4.804 4.556 -0.018 0.000 0.232 170 H C -2.777 172.585 175.328 0.056 0.000 1.416 170 H CA -2.038 54.072 56.048 0.103 0.000 1.285 170 H CB 0.465 30.265 29.762 0.063 0.000 1.625 170 H HN 0.297 nan 8.280 nan 0.000 0.521 171 P HA -0.003 nan 4.420 nan 0.000 0.271 171 P C -0.006 177.135 177.300 -0.264 0.000 1.218 171 P CA -0.244 62.685 63.100 -0.285 0.000 0.780 171 P CB 2.148 33.716 31.700 -0.219 0.000 0.901 172 V N 3.401 123.074 119.914 -0.401 0.000 2.259 172 V HA 0.145 4.241 4.120 -0.041 0.000 0.267 172 V C 0.682 176.620 176.094 -0.260 0.000 1.051 172 V CA -0.271 61.879 62.300 -0.250 0.000 0.830 172 V CB 0.256 31.935 31.823 -0.239 0.000 1.080 172 V HN 0.544 nan 8.190 nan 0.000 0.467 173 D N 3.080 123.328 120.400 -0.252 0.000 2.377 173 D HA 0.371 4.986 4.640 -0.041 0.000 0.245 173 D C 1.334 177.474 176.300 -0.267 0.000 1.196 173 D CA 1.327 55.080 54.000 -0.411 0.000 0.962 173 D CB 1.687 41.987 40.800 -0.833 0.000 1.127 173 D HN 0.741 nan 8.370 nan 0.000 0.471 174 G N 0.072 108.676 108.800 -0.326 0.000 2.155 174 G HA2 -0.222 3.714 3.960 -0.041 0.000 0.257 174 G HA3 -0.222 3.714 3.960 -0.041 0.000 0.257 174 G C -0.097 174.824 174.900 0.034 0.000 0.983 174 G CA 0.702 45.834 45.100 0.053 0.000 0.676 174 G HN 0.473 nan 8.290 nan 0.000 0.528 175 L N -0.303 120.905 121.223 -0.024 0.000 2.464 175 L HA 0.913 5.229 4.340 -0.041 0.000 0.266 175 L C -0.740 176.188 176.870 0.096 0.000 0.965 175 L CA -1.022 53.814 54.840 -0.007 0.000 0.833 175 L CB 2.415 44.395 42.059 -0.131 0.000 1.296 175 L HN 0.650 nan 8.230 nan 0.000 0.405 176 V N 3.828 123.830 119.914 0.146 0.000 3.077 176 V HA 0.977 5.072 4.120 -0.041 0.000 0.299 176 V C -1.471 174.652 176.094 0.048 0.000 1.276 176 V CA 0.349 62.765 62.300 0.194 0.000 0.993 176 V CB 2.096 34.066 31.823 0.244 0.000 1.076 176 V HN 1.229 nan 8.190 nan 0.000 0.434 177 A N 4.690 127.516 122.820 0.009 0.000 2.498 177 A HA 0.973 5.269 4.320 -0.041 0.000 0.298 177 A C -2.113 175.404 177.584 -0.112 0.000 1.075 177 A CA -0.472 51.449 52.037 -0.193 0.000 0.714 177 A CB 1.811 20.703 19.000 -0.181 0.000 1.299 177 A HN 0.886 nan 8.150 nan 0.000 0.407 178 Y N 0.231 120.396 120.300 -0.225 0.000 2.393 178 Y HA 0.582 5.109 4.550 -0.039 0.000 0.341 178 Y C 0.219 176.001 175.900 -0.197 0.000 0.988 178 Y CA -1.559 56.388 58.100 -0.255 0.000 1.078 178 Y CB 1.760 40.033 38.460 -0.312 0.000 1.203 178 Y HN 0.794 nan 8.280 nan 0.000 0.453 179 V N -0.616 119.293 119.914 -0.009 0.000 2.789 179 V HA 0.569 4.664 4.120 -0.041 0.000 0.311 179 V C -0.903 175.173 176.094 -0.030 0.000 1.073 179 V CA -0.883 61.391 62.300 -0.044 0.000 0.921 179 V CB 2.353 34.128 31.823 -0.080 0.000 1.009 179 V HN 0.719 nan 8.190 nan 0.000 0.426 180 D N 3.414 123.801 120.400 -0.023 0.000 2.380 180 D HA 0.231 4.847 4.640 -0.041 0.000 0.230 180 D C 1.207 177.506 176.300 -0.002 0.000 1.154 180 D CA 0.168 54.161 54.000 -0.012 0.000 0.859 180 D CB 1.839 42.634 40.800 -0.008 0.000 1.045 180 D HN 0.789 nan 8.370 nan 0.000 0.495 181 V N 2.711 122.629 119.914 0.007 0.000 2.913 181 V HA -0.167 3.928 4.120 -0.041 0.000 0.260 181 V C 1.841 177.965 176.094 0.050 0.000 1.098 181 V CA 1.646 63.962 62.300 0.026 0.000 1.121 181 V CB -0.957 30.886 31.823 0.032 0.000 0.714 181 V HN 0.485 nan 8.190 nan 0.000 0.487 182 V N -0.322 119.624 119.914 0.054 0.000 2.492 182 V HA 0.024 4.120 4.120 -0.041 0.000 0.241 182 V C 2.599 178.713 176.094 0.033 0.000 1.041 182 V CA 1.611 63.950 62.300 0.064 0.000 1.057 182 V CB -0.841 31.027 31.823 0.076 0.000 0.711 182 V HN 0.627 nan 8.190 nan 0.000 0.468 183 S N -0.443 115.269 115.700 0.019 0.000 2.522 183 S HA 0.028 4.474 4.470 -0.041 0.000 0.227 183 S C 1.031 175.635 174.600 0.007 0.000 0.986 183 S CA 0.590 58.795 58.200 0.009 0.000 0.929 183 S CB -0.770 62.432 63.200 0.003 0.000 0.769 183 S HN 0.711 nan 8.310 nan 0.000 0.529 184 K N 1.567 121.972 120.400 0.008 0.000 3.244 184 K HA -0.167 4.128 4.320 -0.041 0.000 0.270 184 K C -0.590 176.004 176.600 -0.010 0.000 1.016 184 K CA 1.134 57.422 56.287 0.002 0.000 0.754 184 K CB -1.769 30.736 32.500 0.009 0.000 1.326 184 K HN 0.939 nan 8.250 nan 0.000 0.465 185 E N -1.372 118.818 120.200 -0.016 0.000 2.340 185 E HA 0.446 4.771 4.350 -0.041 0.000 0.273 185 E C -0.592 175.986 176.600 -0.037 0.000 0.891 185 E CA -1.244 55.142 56.400 -0.024 0.000 0.757 185 E CB 1.888 31.578 29.700 -0.016 0.000 1.231 185 E HN -0.055 nan 8.360 nan 0.000 0.439 186 V N 2.971 122.856 119.914 -0.048 0.000 2.372 186 V HA 0.033 4.128 4.120 -0.041 0.000 0.261 186 V C 1.435 177.496 176.094 -0.054 0.000 1.055 186 V CA 0.438 62.697 62.300 -0.068 0.000 0.930 186 V CB 0.396 32.168 31.823 -0.085 0.000 1.031 186 V HN 0.988 nan 8.190 nan 0.000 0.479 187 T N 2.897 117.424 114.554 -0.046 0.000 2.904 187 T HA 0.094 4.419 4.350 -0.041 0.000 0.267 187 T C 0.809 175.461 174.700 -0.079 0.000 1.059 187 T CA 0.585 62.661 62.100 -0.040 0.000 1.137 187 T CB 0.235 69.095 68.868 -0.013 0.000 0.879 187 T HN 0.538 nan 8.240 nan 0.000 0.467 188 R N -0.683 119.730 120.500 -0.145 0.000 2.629 188 R HA 0.647 4.962 4.340 -0.041 0.000 0.266 188 R C -2.201 173.896 176.300 -0.338 0.000 1.051 188 R CA -0.693 55.248 56.100 -0.265 0.000 0.895 188 R CB 2.842 32.895 30.300 -0.412 0.000 1.246 188 R HN 0.044 nan 8.270 nan 0.000 0.459 189 V N 3.938 123.713 119.914 -0.232 0.000 2.447 189 V HA 0.439 4.535 4.120 -0.041 0.000 0.292 189 V C -0.932 175.079 176.094 -0.139 0.000 1.021 189 V CA -0.675 61.548 62.300 -0.129 0.000 0.850 189 V CB 1.659 33.503 31.823 0.035 0.000 1.005 189 V HN 0.500 nan 8.190 nan 0.000 0.426 190 I N 4.205 124.674 120.570 -0.168 0.000 2.354 190 I HA 0.509 4.654 4.170 -0.041 0.000 0.292 190 I C -0.199 175.900 176.117 -0.030 0.000 0.989 190 I CA -0.002 61.234 61.300 -0.106 0.000 1.188 190 I CB 1.569 39.492 38.000 -0.128 0.000 1.342 190 I HN 0.485 nan 8.210 nan 0.000 0.457 191 D N 4.017 124.407 120.400 -0.017 0.000 2.469 191 D HA 0.202 4.817 4.640 -0.041 0.000 0.251 191 D C 0.746 177.058 176.300 0.020 0.000 1.173 191 D CA -0.196 53.802 54.000 -0.004 0.000 0.882 191 D CB 1.424 42.206 40.800 -0.030 0.000 1.129 191 D HN 0.642 nan 8.370 nan 0.000 0.549 192 T N 0.316 114.907 114.554 0.062 0.000 3.129 192 T HA 0.468 4.793 4.350 -0.041 0.000 0.251 192 T C 0.920 175.668 174.700 0.079 0.000 1.117 192 T CA 0.296 62.445 62.100 0.081 0.000 1.034 192 T CB 0.239 69.182 68.868 0.125 0.000 0.968 192 T HN 0.566 nan 8.240 nan 0.000 0.526 193 G N 0.133 108.977 108.800 0.073 0.000 2.317 193 G HA2 0.280 4.215 3.960 -0.041 0.000 0.445 193 G HA3 0.280 4.215 3.960 -0.041 0.000 0.445 193 G C -1.247 173.674 174.900 0.035 0.000 1.486 193 G CA -0.739 44.359 45.100 -0.003 0.000 0.991 193 G HN 0.290 nan 8.290 nan 0.000 0.660 194 V N 0.798 120.672 119.914 -0.068 0.000 2.614 194 V HA 0.627 4.723 4.120 -0.041 0.000 0.291 194 V C -0.150 175.871 176.094 -0.121 0.000 1.049 194 V CA 0.210 62.493 62.300 -0.028 0.000 1.038 194 V CB 0.754 32.540 31.823 -0.062 0.000 0.980 194 V HN 0.539 nan 8.190 nan 0.000 0.481 195 F N 4.279 124.188 119.950 -0.067 0.000 2.540 195 F HA 0.553 5.048 4.527 -0.054 0.000 0.317 195 F C -2.025 173.744 175.800 -0.052 0.000 1.104 195 F CA -2.486 55.480 58.000 -0.057 0.000 0.913 195 F CB 1.637 40.601 39.000 -0.061 0.000 1.170 195 F HN 0.335 nan 8.300 nan 0.000 0.450 196 P HA 0.101 nan 4.420 nan 0.000 0.266 196 P C -0.823 176.526 177.300 0.082 0.000 1.195 196 P CA -0.147 62.995 63.100 0.071 0.000 0.768 196 P CB 0.524 32.258 31.700 0.055 0.000 0.838 197 V N 6.491 126.433 119.914 0.048 0.000 2.432 197 V HA 0.153 4.249 4.120 -0.041 0.000 0.271 197 V C -1.850 174.297 176.094 0.088 0.000 1.046 197 V CA -1.532 60.797 62.300 0.048 0.000 0.945 197 V CB 0.428 32.261 31.823 0.017 0.000 0.992 197 V HN 0.584 nan 8.190 nan 0.000 0.471 198 P HA -0.022 nan 4.420 nan 0.000 0.259 198 P C 0.494 177.943 177.300 0.247 0.000 1.163 198 P CA 0.482 63.658 63.100 0.128 0.000 0.760 198 P CB 0.679 32.418 31.700 0.065 0.000 0.762 199 A N 3.871 126.797 122.820 0.178 0.000 1.935 199 A HA -0.051 4.244 4.320 -0.041 0.000 0.214 199 A C 0.856 178.606 177.584 0.276 0.000 1.178 199 A CA 0.679 52.829 52.037 0.189 0.000 0.640 199 A CB -0.503 18.560 19.000 0.104 0.000 0.825 199 A HN 0.555 nan 8.150 nan 0.000 0.447 200 E N 0.514 120.842 120.200 0.212 0.000 2.413 200 E HA 0.217 4.542 4.350 -0.041 0.000 0.263 200 E C -0.245 176.527 176.600 0.286 0.000 1.015 200 E CA 0.021 56.533 56.400 0.187 0.000 0.916 200 E CB 0.308 30.072 29.700 0.107 0.000 0.947 200 E HN 0.768 nan 8.360 nan 0.000 0.440 201 H N -0.550 118.692 119.070 0.287 0.000 2.508 201 H HA 0.479 5.007 4.556 -0.046 0.000 0.358 201 H C 0.433 175.869 175.328 0.179 0.000 1.212 201 H CA -0.867 55.319 56.048 0.231 0.000 1.356 201 H CB 1.133 31.042 29.762 0.245 0.000 1.525 201 H HN 0.481 nan 8.280 nan 0.000 0.578 202 G N 1.388 110.360 108.800 0.286 0.000 4.637 202 G HA2 0.058 3.994 3.960 -0.041 0.000 0.294 202 G HA3 0.058 3.994 3.960 -0.041 0.000 0.294 202 G C -0.682 174.199 174.900 -0.033 0.000 1.215 202 G CA -0.680 44.442 45.100 0.037 0.000 0.943 202 G HN 0.631 nan 8.290 nan 0.000 0.572 203 N N 1.758 120.588 118.700 0.216 0.000 2.555 203 N HA 0.102 4.818 4.740 -0.041 0.000 0.244 203 N C 0.815 176.230 175.510 -0.159 0.000 1.114 203 N CA -0.424 52.522 53.050 -0.173 0.000 0.963 203 N CB 0.611 38.995 38.487 -0.171 0.000 1.276 203 N HN 0.552 nan 8.380 nan 0.000 0.510 204 Y N -0.280 120.009 120.300 -0.018 0.000 2.680 204 Y HA -0.034 4.492 4.550 -0.040 0.000 0.303 204 Y C 1.710 177.606 175.900 -0.006 0.000 1.166 204 Y CA 0.308 58.385 58.100 -0.038 0.000 1.344 204 Y CB -0.726 37.672 38.460 -0.103 0.000 1.002 204 Y HN 0.288 nan 8.280 nan 0.000 0.537 205 T N -4.161 110.364 114.554 -0.048 0.000 3.054 205 T HA 0.069 4.394 4.350 -0.041 0.000 0.255 205 T C 0.078 174.781 174.700 0.006 0.000 1.035 205 T CA -0.251 61.861 62.100 0.021 0.000 0.941 205 T CB -0.124 68.743 68.868 -0.002 0.000 1.026 205 T HN 0.218 nan 8.240 nan 0.000 0.533 206 D N 2.602 123.003 120.400 0.003 0.000 2.317 206 D HA 0.255 4.871 4.640 -0.041 0.000 0.252 206 D C -1.708 174.626 176.300 0.057 0.000 1.174 206 D CA -2.367 51.642 54.000 0.015 0.000 0.866 206 D CB 1.964 42.760 40.800 -0.007 0.000 1.127 206 D HN -0.027 nan 8.370 nan 0.000 0.467 207 P HA -0.172 nan 4.420 nan 0.000 0.218 207 P C 0.939 178.274 177.300 0.058 0.000 1.146 207 P CA 1.212 64.337 63.100 0.042 0.000 0.813 207 P CB 0.099 31.814 31.700 0.025 0.000 0.778 208 E N -1.216 119.031 120.200 0.079 0.000 2.347 208 E HA -0.129 4.196 4.350 -0.041 0.000 0.196 208 E C 1.658 178.325 176.600 0.113 0.000 1.008 208 E CA 0.658 57.117 56.400 0.098 0.000 0.852 208 E CB -0.701 29.077 29.700 0.129 0.000 0.783 208 E HN 0.186 nan 8.360 nan 0.000 0.505 209 L N 1.324 122.629 121.223 0.136 0.000 2.388 209 L HA 0.070 4.386 4.340 -0.041 0.000 0.209 209 L C 2.330 179.245 176.870 0.074 0.000 1.061 209 L CA 1.804 56.709 54.840 0.108 0.000 0.834 209 L CB -0.059 42.100 42.059 0.166 0.000 1.029 209 L HN 0.294 nan 8.230 nan 0.000 0.473 210 T N -2.744 111.855 114.554 0.074 0.000 2.942 210 T HA 0.381 4.707 4.350 -0.041 0.000 0.265 210 T C 1.209 175.935 174.700 0.043 0.000 1.062 210 T CA 0.517 62.651 62.100 0.056 0.000 1.139 210 T CB -0.698 68.204 68.868 0.056 0.000 0.883 210 T HN 0.674 nan 8.240 nan 0.000 0.468 211 G N 1.982 110.808 108.800 0.044 0.000 2.741 211 G HA2 -0.064 3.871 3.960 -0.041 0.000 0.222 211 G HA3 -0.064 3.871 3.960 -0.041 0.000 0.222 211 G C -2.818 172.100 174.900 0.029 0.000 1.364 211 G CA -0.715 44.405 45.100 0.035 0.000 0.866 211 G HN 0.538 nan 8.290 nan 0.000 0.555 212 P HA 0.359 nan 4.420 nan 0.000 0.267 212 P C 0.508 177.819 177.300 0.018 0.000 1.205 212 P CA -0.189 62.922 63.100 0.019 0.000 0.765 212 P CB 0.367 32.077 31.700 0.016 0.000 0.828 213 L N 3.739 124.972 121.223 0.017 0.000 2.439 213 L HA 0.199 4.515 4.340 -0.041 0.000 0.269 213 L C 1.302 178.180 176.870 0.012 0.000 1.179 213 L CA -0.306 54.544 54.840 0.016 0.000 0.828 213 L CB 0.204 42.273 42.059 0.016 0.000 1.106 213 L HN 0.339 nan 8.230 nan 0.000 0.467 214 R N 0.680 121.186 120.500 0.011 0.000 2.590 214 R HA 0.071 4.387 4.340 -0.041 0.000 0.274 214 R C 0.683 176.987 176.300 0.007 0.000 1.061 214 R CA 0.327 56.431 56.100 0.008 0.000 1.081 214 R CB 0.290 30.594 30.300 0.006 0.000 0.984 214 R HN 0.723 nan 8.270 nan 0.000 0.448 215 T N -3.668 110.890 114.554 0.006 0.000 3.145 215 T HA -0.003 4.322 4.350 -0.041 0.000 0.281 215 T C 1.255 175.958 174.700 0.004 0.000 1.003 215 T CA -0.004 62.099 62.100 0.005 0.000 0.901 215 T CB 0.328 69.199 68.868 0.005 0.000 1.112 215 T HN 0.660 nan 8.240 nan 0.000 0.535 216 T N -0.549 114.007 114.554 0.003 0.000 3.081 216 T HA 0.156 4.482 4.350 -0.041 0.000 0.255 216 T C 0.725 175.426 174.700 0.000 0.000 1.113 216 T CA -0.114 61.987 62.100 0.002 0.000 1.082 216 T CB -0.327 68.542 68.868 0.001 0.000 0.939 216 T HN 0.431 nan 8.240 nan 0.000 0.506 217 Q N 2.167 121.968 119.800 0.001 0.000 2.323 217 Q HA 0.270 4.585 4.340 -0.041 0.000 0.257 217 Q C -0.368 175.632 176.000 0.001 0.000 1.022 217 Q CA -0.274 55.529 55.803 -0.000 0.000 0.919 217 Q CB 0.762 29.500 28.738 0.000 0.000 1.220 217 Q HN 0.196 nan 8.270 nan 0.000 0.427 218 K N 3.608 124.008 120.400 -0.000 0.000 2.185 218 K HA 0.355 4.651 4.320 -0.041 0.000 0.271 218 K C -1.895 174.706 176.600 0.001 0.000 1.013 218 K CA -1.679 54.608 56.287 0.000 0.000 0.943 218 K CB 0.266 32.766 32.500 -0.000 0.000 0.998 218 K HN 0.501 nan 8.250 nan 0.000 0.468 219 P HA 0.240 nan 4.420 nan 0.000 0.271 219 P C -0.475 176.828 177.300 0.004 0.000 1.218 219 P CA -0.079 63.023 63.100 0.004 0.000 0.780 219 P CB 0.639 32.342 31.700 0.005 0.000 0.901 220 I N 1.071 121.644 120.570 0.005 0.000 2.410 220 I HA 0.138 4.283 4.170 -0.041 0.000 0.286 220 I C 0.352 176.475 176.117 0.009 0.000 1.009 220 I CA -0.572 60.732 61.300 0.006 0.000 1.111 220 I CB 1.752 39.755 38.000 0.006 0.000 1.262 220 I HN 0.287 nan 8.210 nan 0.000 0.443 221 S N 7.696 123.402 115.700 0.010 0.000 2.422 221 S HA 0.544 4.990 4.470 -0.041 0.000 0.298 221 S C -0.466 174.144 174.600 0.017 0.000 1.118 221 S CA -0.598 57.609 58.200 0.012 0.000 1.083 221 S CB 0.253 63.460 63.200 0.011 0.000 0.971 221 S HN 0.357 nan 8.310 nan 0.000 0.478 222 I N 5.832 126.413 120.570 0.019 0.000 2.355 222 I HA 0.393 4.539 4.170 -0.041 0.000 0.288 222 I C 0.503 176.636 176.117 0.027 0.000 0.999 222 I CA -0.230 61.087 61.300 0.028 0.000 1.163 222 I CB 0.759 38.779 38.000 0.032 0.000 1.316 222 I HN 0.766 nan 8.210 nan 0.000 0.454 223 T N 2.908 117.480 114.554 0.030 0.000 2.864 223 T HA 0.595 4.921 4.350 -0.041 0.000 0.299 223 T C -0.670 174.049 174.700 0.032 0.000 1.166 223 T CA -0.849 61.267 62.100 0.027 0.000 1.007 223 T CB 2.615 71.495 68.868 0.020 0.000 1.219 223 T HN 0.487 nan 8.240 nan 0.000 0.506 224 Q N 1.465 121.280 119.800 0.025 0.000 2.616 224 Q HA 0.273 4.588 4.340 -0.041 0.000 0.250 224 Q C -1.895 174.111 176.000 0.010 0.000 0.991 224 Q CA -2.039 53.777 55.803 0.023 0.000 0.707 224 Q CB 2.115 30.866 28.738 0.022 0.000 1.247 224 Q HN 0.573 nan 8.270 nan 0.000 0.491 225 P HA -0.208 nan 4.420 nan 0.000 0.217 225 P C 0.090 177.391 177.300 0.002 0.000 1.148 225 P CA 1.431 64.536 63.100 0.007 0.000 0.828 225 P CB 0.484 32.189 31.700 0.009 0.000 0.783 226 E N -0.530 119.669 120.200 -0.001 0.000 2.501 226 E HA 0.379 4.705 4.350 -0.041 0.000 0.200 226 E C 0.864 177.451 176.600 -0.021 0.000 1.016 226 E CA 0.016 56.411 56.400 -0.007 0.000 0.921 226 E CB 0.259 29.957 29.700 -0.003 0.000 1.034 226 E HN 0.235 nan 8.360 nan 0.000 0.468 227 G N 3.041 111.824 108.800 -0.027 0.000 2.796 227 G HA2 -0.190 3.745 3.960 -0.041 0.000 0.571 227 G HA3 -0.190 3.745 3.960 -0.041 0.000 0.571 227 G C -2.714 172.132 174.900 -0.091 0.000 1.370 227 G CA -0.900 44.163 45.100 -0.062 0.000 0.856 227 G HN 0.009 nan 8.290 nan 0.000 0.538 228 P HA 0.346 nan 4.420 nan 0.000 0.274 228 P C 0.612 177.777 177.300 -0.225 0.000 1.237 228 P CA 0.117 63.027 63.100 -0.317 0.000 0.793 228 P CB 1.248 32.405 31.700 -0.904 0.000 0.977 229 S N 0.154 115.848 115.700 -0.010 0.000 2.528 229 S HA 0.104 4.549 4.470 -0.041 0.000 0.219 229 S C 0.711 175.467 174.600 0.259 0.000 0.985 229 S CA 0.159 58.442 58.200 0.139 0.000 0.914 229 S CB -0.732 62.619 63.200 0.251 0.000 0.776 229 S HN 0.572 nan 8.310 nan 0.000 0.526 230 F N 2.022 122.172 119.950 0.334 0.000 2.399 230 F HA 0.748 5.251 4.527 -0.041 0.000 0.328 230 F C 0.131 176.020 175.800 0.148 0.000 1.084 230 F CA -1.181 56.998 58.000 0.298 0.000 1.053 230 F CB 0.330 39.480 39.000 0.250 0.000 1.209 230 F HN -0.144 nan 8.300 nan 0.000 0.502 231 T N -0.204 114.567 114.554 0.363 0.000 2.885 231 T HA 0.750 5.075 4.350 -0.041 0.000 0.285 231 T C -1.163 173.708 174.700 0.285 0.000 1.019 231 T CA -0.814 61.424 62.100 0.231 0.000 1.010 231 T CB 1.526 70.487 68.868 0.155 0.000 1.022 231 T HN 0.686 nan 8.240 nan 0.000 0.466 232 V N 3.323 123.375 119.914 0.229 0.000 2.407 232 V HA 0.673 4.768 4.120 -0.041 0.000 0.291 232 V C 0.327 176.516 176.094 0.158 0.000 1.018 232 V CA -0.639 61.778 62.300 0.195 0.000 0.842 232 V CB 1.286 33.227 31.823 0.197 0.000 0.996 232 V HN 1.298 nan 8.190 nan 0.000 0.426 233 T N 0.230 114.891 114.554 0.179 0.000 2.916 233 T HA 0.691 5.016 4.350 -0.041 0.000 0.292 233 T C 0.873 175.661 174.700 0.146 0.000 1.055 233 T CA -0.040 62.148 62.100 0.148 0.000 1.009 233 T CB 1.798 70.752 68.868 0.142 0.000 1.118 233 T HN 1.710 nan 8.240 nan 0.000 0.497 234 G N -0.173 108.684 108.800 0.095 0.000 2.187 234 G HA2 0.096 4.031 3.960 -0.041 0.000 0.261 234 G HA3 0.096 4.031 3.960 -0.041 0.000 0.261 234 G C 1.322 176.274 174.900 0.088 0.000 1.000 234 G CA 0.984 46.132 45.100 0.081 0.000 0.718 234 G HN 2.405 nan 8.290 nan 0.000 0.519 235 G N -0.125 108.729 108.800 0.089 0.000 2.458 235 G HA2 -0.271 3.665 3.960 -0.041 0.000 0.237 235 G HA3 -0.271 3.665 3.960 -0.041 0.000 0.237 235 G C 0.879 175.830 174.900 0.085 0.000 1.113 235 G CA 1.325 46.472 45.100 0.079 0.000 0.655 235 G HN 2.199 nan 8.290 nan 0.000 0.513 236 N N -0.248 118.514 118.700 0.103 0.000 2.142 236 N HA 0.164 4.879 4.740 -0.041 0.000 0.233 236 N C -0.260 175.307 175.510 0.096 0.000 1.335 236 N CA 0.356 53.458 53.050 0.086 0.000 0.837 236 N CB -0.236 38.297 38.487 0.077 0.000 1.238 236 N HN 0.549 nan 8.380 nan 0.000 0.501 237 H N 1.514 120.614 119.070 0.050 0.000 2.604 237 H HA 0.448 4.979 4.556 -0.041 0.000 0.306 237 H C -0.397 174.968 175.328 0.061 0.000 1.075 237 H CA -0.284 55.791 56.048 0.047 0.000 1.357 237 H CB 0.511 30.305 29.762 0.053 0.000 1.426 237 H HN -0.001 nan 8.280 nan 0.000 0.470 238 I N 4.763 125.082 120.570 -0.419 0.000 2.412 238 I HA 0.276 4.422 4.170 -0.041 0.000 0.296 238 I C -0.045 175.939 176.117 -0.222 0.000 0.987 238 I CA -0.547 60.623 61.300 -0.218 0.000 1.180 238 I CB 1.480 39.363 38.000 -0.194 0.000 1.340 238 I HN 0.712 nan 8.210 nan 0.000 0.455 239 E N 5.094 125.325 120.200 0.051 0.000 2.241 239 E HA 0.359 4.685 4.350 -0.041 0.000 0.263 239 E C -1.843 174.947 176.600 0.318 0.000 0.882 239 E CA -0.590 55.896 56.400 0.142 0.000 0.769 239 E CB 2.641 32.430 29.700 0.149 0.000 1.185 239 E HN 0.566 nan 8.360 nan 0.000 0.415 240 W N 3.990 125.355 121.300 0.109 0.000 3.326 240 W HA 0.164 4.800 4.660 -0.041 0.000 0.333 240 W C -0.696 175.924 176.519 0.168 0.000 1.108 240 W CA -0.385 57.054 57.345 0.157 0.000 1.245 240 W CB 0.965 30.517 29.460 0.154 0.000 1.331 240 W HN 0.350 nan 8.180 nan 0.000 0.464 241 E N 5.922 125.774 120.200 -0.580 0.000 2.149 241 E HA -0.321 4.004 4.350 -0.041 0.000 0.191 241 E C 0.579 176.879 176.600 -0.501 0.000 1.384 241 E CA 1.870 57.861 56.400 -0.681 0.000 0.698 241 E CB -0.991 27.921 29.700 -1.312 0.000 1.086 241 E HN 0.902 nan 8.360 nan 0.000 0.338 242 K N -3.751 116.389 120.400 -0.433 0.000 3.615 242 K HA -0.249 4.047 4.320 -0.041 0.000 0.269 242 K C 0.201 176.370 176.600 -0.718 0.000 1.107 242 K CA 1.814 57.684 56.287 -0.695 0.000 1.059 242 K CB -1.382 30.392 32.500 -1.211 0.000 1.317 242 K HN 0.270 nan 8.250 nan 0.000 0.494 243 W N 1.760 122.850 121.300 -0.351 0.000 2.237 243 W HA 0.425 5.060 4.660 -0.041 0.000 0.335 243 W C 0.678 177.172 176.519 -0.042 0.000 1.230 243 W CA -0.022 57.264 57.345 -0.099 0.000 1.253 243 W CB 1.353 30.902 29.460 0.148 0.000 1.129 243 W HN 0.005 nan 8.180 nan 0.000 0.590 244 S N 3.905 119.761 115.700 0.260 0.000 2.548 244 S HA 0.825 5.270 4.470 -0.041 0.000 0.276 244 S C -1.135 173.486 174.600 0.034 0.000 1.129 244 S CA -0.742 57.510 58.200 0.087 0.000 0.931 244 S CB 0.161 63.434 63.200 0.123 0.000 1.068 244 S HN 0.586 nan 8.310 nan 0.000 0.480 245 L N 1.002 122.123 121.223 -0.171 0.000 2.999 245 L HA 0.752 5.067 4.340 -0.041 0.000 0.274 245 L C -2.122 174.617 176.870 -0.217 0.000 1.044 245 L CA -1.075 53.675 54.840 -0.149 0.000 0.943 245 L CB 1.599 43.578 42.059 -0.134 0.000 1.522 245 L HN 0.413 nan 8.230 nan 0.000 0.400 246 D N 1.286 121.623 120.400 -0.105 0.000 2.505 246 D HA 0.486 5.102 4.640 -0.041 0.000 0.249 246 D C -0.865 175.434 176.300 -0.002 0.000 1.082 246 D CA -0.279 53.712 54.000 -0.014 0.000 0.839 246 D CB 3.276 44.098 40.800 0.037 0.000 1.317 246 D HN 0.370 nan 8.370 nan 0.000 0.497 247 V N 2.136 122.050 119.914 -0.001 0.000 2.334 247 V HA 0.471 4.566 4.120 -0.041 0.000 0.267 247 V C 0.949 177.094 176.094 0.084 0.000 1.040 247 V CA -0.411 61.885 62.300 -0.007 0.000 0.866 247 V CB 1.029 32.825 31.823 -0.046 0.000 1.019 247 V HN 0.592 nan 8.190 nan 0.000 0.468 248 G N 3.104 111.992 108.800 0.146 0.000 2.488 248 G HA2 0.691 4.626 3.960 -0.041 0.000 0.318 248 G HA3 0.691 4.626 3.960 -0.041 0.000 0.318 248 G C -1.517 173.474 174.900 0.153 0.000 1.188 248 G CA -0.449 44.768 45.100 0.195 0.000 0.944 248 G HN 0.466 nan 8.290 nan 0.000 0.495 249 F N 0.044 119.974 119.950 -0.033 0.000 2.574 249 F HA 0.514 5.016 4.527 -0.042 0.000 0.313 249 F C -1.353 174.396 175.800 -0.085 0.000 1.130 249 F CA -0.984 56.949 58.000 -0.112 0.000 0.936 249 F CB 2.592 41.513 39.000 -0.131 0.000 1.219 249 F HN 0.513 nan 8.300 nan 0.000 0.445 250 D N 3.768 123.738 120.400 -0.717 0.000 2.646 250 D HA 0.296 4.911 4.640 -0.041 0.000 0.245 250 D C 0.202 176.116 176.300 -0.643 0.000 1.099 250 D CA -0.555 53.186 54.000 -0.433 0.000 0.849 250 D CB 2.408 43.092 40.800 -0.194 0.000 1.448 250 D HN 0.374 nan 8.370 nan 0.000 0.489 251 V N 4.313 124.044 119.914 -0.306 0.000 2.594 251 V HA -0.134 3.961 4.120 -0.041 0.000 0.253 251 V C 2.022 178.037 176.094 -0.132 0.000 1.069 251 V CA 2.214 64.390 62.300 -0.207 0.000 1.082 251 V CB -0.380 31.373 31.823 -0.117 0.000 0.680 251 V HN 0.634 nan 8.190 nan 0.000 0.469 252 R N -0.518 119.964 120.500 -0.030 0.000 2.064 252 R HA -0.025 4.290 4.340 -0.041 0.000 0.221 252 R C 2.220 178.454 176.300 -0.110 0.000 1.136 252 R CA 1.563 57.636 56.100 -0.046 0.000 0.980 252 R CB -0.196 30.031 30.300 -0.122 0.000 0.876 252 R HN 0.580 nan 8.270 nan 0.000 0.437 253 E N -0.538 119.578 120.200 -0.140 0.000 2.299 253 E HA 0.133 4.458 4.350 -0.041 0.000 0.193 253 E C 0.731 177.163 176.600 -0.281 0.000 0.998 253 E CA 0.400 56.725 56.400 -0.124 0.000 0.851 253 E CB 0.523 30.193 29.700 -0.049 0.000 0.795 253 E HN 0.566 nan 8.360 nan 0.000 0.492 254 G N 0.756 109.173 108.800 -0.639 0.000 2.481 254 G HA2 -0.286 3.649 3.960 -0.041 0.000 0.230 254 G HA3 -0.286 3.649 3.960 -0.041 0.000 0.230 254 G C -0.161 174.141 174.900 -0.996 0.000 1.210 254 G CA -0.352 44.051 45.100 -1.161 0.000 0.936 254 G HN 0.096 nan 8.290 nan 0.000 0.583 255 V N 0.766 120.233 119.914 -0.744 0.000 2.585 255 V HA 0.438 4.533 4.120 -0.041 0.000 0.296 255 V C 0.730 176.758 176.094 -0.111 0.000 1.035 255 V CA 0.109 62.301 62.300 -0.180 0.000 1.084 255 V CB 1.002 32.884 31.823 0.098 0.000 0.953 255 V HN 0.898 nan 8.190 nan 0.000 0.483 256 V N 6.659 126.466 119.914 -0.178 0.000 2.588 256 V HA 0.454 4.549 4.120 -0.041 0.000 0.304 256 V C -0.211 175.620 176.094 -0.438 0.000 1.042 256 V CA -0.620 61.489 62.300 -0.319 0.000 0.877 256 V CB 1.905 33.543 31.823 -0.309 0.000 0.996 256 V HN 0.615 nan 8.190 nan 0.000 0.425 257 L N 5.152 125.988 121.223 -0.644 0.000 2.289 257 L HA 0.607 4.922 4.340 -0.041 0.000 0.285 257 L C -0.270 176.253 176.870 -0.578 0.000 1.049 257 L CA -0.491 54.003 54.840 -0.577 0.000 0.804 257 L CB 0.805 42.425 42.059 -0.731 0.000 1.195 257 L HN 0.615 nan 8.230 nan 0.000 0.428 258 H N 3.511 122.409 119.070 -0.287 0.000 2.621 258 H HA 0.267 4.798 4.556 -0.041 0.000 0.360 258 H C -0.138 174.979 175.328 -0.351 0.000 1.163 258 H CA -0.734 55.118 56.048 -0.327 0.000 1.194 258 H CB 1.876 31.393 29.762 -0.407 0.000 1.649 258 H HN 0.566 nan 8.280 nan 0.000 0.532 259 N N 1.267 119.830 118.700 -0.227 0.000 2.705 259 N HA -0.182 4.534 4.740 -0.041 0.000 0.255 259 N C -0.278 175.169 175.510 -0.105 0.000 1.008 259 N CA 0.397 53.324 53.050 -0.205 0.000 0.742 259 N CB -0.958 37.353 38.487 -0.293 0.000 0.906 259 N HN 0.433 nan 8.380 nan 0.000 0.541 260 I N 0.434 120.947 120.570 -0.094 0.000 2.581 260 I HA 0.233 4.379 4.170 -0.041 0.000 0.285 260 I C 1.174 177.345 176.117 0.089 0.000 1.129 260 I CA 0.016 61.323 61.300 0.012 0.000 1.397 260 I CB -0.120 37.868 38.000 -0.020 0.000 1.399 260 I HN 0.284 nan 8.210 nan 0.000 0.537 261 A N 7.141 130.076 122.820 0.192 0.000 2.566 261 A HA 0.803 5.099 4.320 -0.041 0.000 0.292 261 A C -1.538 176.183 177.584 0.229 0.000 1.112 261 A CA -0.525 51.614 52.037 0.170 0.000 0.707 261 A CB 1.962 21.017 19.000 0.093 0.000 1.302 261 A HN 0.449 nan 8.150 nan 0.000 0.409 262 F N 0.492 120.437 119.950 -0.008 0.000 2.518 262 F HA 0.658 5.160 4.527 -0.041 0.000 0.323 262 F C 0.171 175.977 175.800 0.009 0.000 1.129 262 F CA -0.640 57.287 58.000 -0.122 0.000 0.920 262 F CB 1.800 40.664 39.000 -0.226 0.000 1.160 262 F HN 0.544 nan 8.300 nan 0.000 0.440 263 R N 4.057 124.470 120.500 -0.144 0.000 2.272 263 R HA 0.172 4.488 4.340 -0.041 0.000 0.334 263 R C -1.295 175.103 176.300 0.164 0.000 1.117 263 R CA -0.059 56.038 56.100 -0.005 0.000 0.966 263 R CB -0.540 29.692 30.300 -0.113 0.000 1.049 263 R HN 0.503 nan 8.270 nan 0.000 0.477 264 D N 3.770 124.343 120.400 0.289 0.000 2.467 264 D HA 0.403 5.018 4.640 -0.041 0.000 0.220 264 D C 0.807 177.195 176.300 0.148 0.000 1.103 264 D CA 0.967 55.158 54.000 0.319 0.000 0.886 264 D CB 0.645 41.660 40.800 0.359 0.000 1.025 264 D HN 0.664 nan 8.370 nan 0.000 0.514 265 G N 4.945 113.809 108.800 0.105 0.000 2.543 265 G HA2 -0.370 3.566 3.960 -0.041 0.000 0.286 265 G HA3 -0.370 3.566 3.960 -0.041 0.000 0.286 265 G C 0.685 175.607 174.900 0.037 0.000 1.153 265 G CA 0.566 45.700 45.100 0.056 0.000 0.968 265 G HN 0.609 nan 8.290 nan 0.000 0.544 266 D N 1.090 121.506 120.400 0.027 0.000 2.328 266 D HA 0.298 4.914 4.640 -0.041 0.000 0.221 266 D C 1.066 177.377 176.300 0.019 0.000 1.072 266 D CA 0.844 54.854 54.000 0.018 0.000 0.850 266 D CB -0.060 40.747 40.800 0.011 0.000 0.922 266 D HN 0.932 nan 8.370 nan 0.000 0.516 267 R N -0.512 120.005 120.500 0.029 0.000 2.725 267 R HA 0.487 4.802 4.340 -0.041 0.000 0.277 267 R C -1.265 175.064 176.300 0.049 0.000 0.987 267 R CA -1.004 55.112 56.100 0.027 0.000 0.901 267 R CB 1.266 31.572 30.300 0.010 0.000 1.207 267 R HN 0.003 nan 8.270 nan 0.000 0.463 268 L N 3.582 124.830 121.223 0.042 0.000 2.261 268 L HA 0.394 4.710 4.340 -0.041 0.000 0.289 268 L C -0.358 176.551 176.870 0.066 0.000 1.059 268 L CA -0.606 54.270 54.840 0.060 0.000 0.816 268 L CB 0.589 42.676 42.059 0.046 0.000 1.191 268 L HN 0.621 nan 8.230 nan 0.000 0.431 269 R N 6.447 127.019 120.500 0.120 0.000 2.229 269 R HA 0.372 4.688 4.340 -0.041 0.000 0.328 269 R C -2.365 174.025 176.300 0.150 0.000 1.009 269 R CA -1.731 54.446 56.100 0.128 0.000 0.864 269 R CB 0.938 31.337 30.300 0.165 0.000 1.085 269 R HN 0.399 nan 8.270 nan 0.000 0.453 270 P HA 0.094 nan 4.420 nan 0.000 0.274 270 P C -0.266 177.016 177.300 -0.031 0.000 1.231 270 P CA -0.085 63.001 63.100 -0.023 0.000 0.790 270 P CB 1.141 32.752 31.700 -0.147 0.000 0.951 271 I N 1.622 122.120 120.570 -0.119 0.000 3.650 271 I HA 0.262 4.407 4.170 -0.041 0.000 0.261 271 I C 0.775 176.746 176.117 -0.242 0.000 1.154 271 I CA 0.628 61.759 61.300 -0.282 0.000 1.418 271 I CB 0.056 37.788 38.000 -0.447 0.000 1.539 271 I HN 0.213 nan 8.210 nan 0.000 0.449 272 I N 0.777 121.238 120.570 -0.181 0.000 2.499 272 I HA 0.223 4.368 4.170 -0.041 0.000 0.288 272 I C 0.474 176.500 176.117 -0.151 0.000 1.048 272 I CA -0.314 60.890 61.300 -0.160 0.000 1.062 272 I CB 2.034 39.942 38.000 -0.153 0.000 1.238 272 I HN -0.002 nan 8.210 nan 0.000 0.426 273 N N 4.516 123.143 118.700 -0.121 0.000 2.216 273 N HA 0.008 4.723 4.740 -0.041 0.000 0.183 273 N C 0.378 175.826 175.510 -0.103 0.000 1.017 273 N CA 1.355 54.359 53.050 -0.077 0.000 0.861 273 N CB 0.381 38.924 38.487 0.093 0.000 0.986 273 N HN 0.553 nan 8.380 nan 0.000 0.428 274 R N -0.607 119.802 120.500 -0.151 0.000 2.515 274 R HA 0.586 4.901 4.340 -0.041 0.000 0.278 274 R C -2.080 174.041 176.300 -0.298 0.000 1.107 274 R CA -0.619 55.325 56.100 -0.260 0.000 0.945 274 R CB 1.373 31.564 30.300 -0.181 0.000 1.219 274 R HN 0.080 nan 8.270 nan 0.000 0.434 275 A N 2.302 124.870 122.820 -0.420 0.000 2.356 275 A HA 0.761 5.056 4.320 -0.041 0.000 0.310 275 A C -1.025 176.316 177.584 -0.405 0.000 1.075 275 A CA -0.402 51.392 52.037 -0.406 0.000 0.746 275 A CB 1.602 20.223 19.000 -0.630 0.000 1.221 275 A HN 0.835 nan 8.150 nan 0.000 0.443 276 S N 0.700 116.340 115.700 -0.100 0.000 2.611 276 S HA 0.660 5.106 4.470 -0.041 0.000 0.268 276 S C -1.350 173.368 174.600 0.196 0.000 1.156 276 S CA -0.613 57.620 58.200 0.055 0.000 0.817 276 S CB 0.573 63.730 63.200 -0.071 0.000 1.122 276 S HN 0.569 nan 8.310 nan 0.000 0.466 277 I N 2.152 122.862 120.570 0.234 0.000 2.310 277 I HA 0.535 4.680 4.170 -0.041 0.000 0.287 277 I C 1.187 177.397 176.117 0.156 0.000 1.073 277 I CA -0.351 61.072 61.300 0.206 0.000 1.216 277 I CB 0.791 39.016 38.000 0.375 0.000 1.415 277 I HN 0.943 nan 8.210 nan 0.000 0.480 278 A N 4.204 127.086 122.820 0.103 0.000 2.206 278 A HA 0.192 4.487 4.320 -0.041 0.000 0.211 278 A C 0.758 178.380 177.584 0.064 0.000 1.158 278 A CA 0.909 53.027 52.037 0.135 0.000 0.761 278 A CB -0.157 18.944 19.000 0.169 0.000 0.801 278 A HN 0.613 nan 8.150 nan 0.000 0.473 279 E N -2.026 118.146 120.200 -0.047 0.000 2.392 279 E HA 0.520 4.845 4.350 -0.041 0.000 0.281 279 E C -1.471 175.034 176.600 -0.158 0.000 1.088 279 E CA -0.389 55.922 56.400 -0.148 0.000 0.850 279 E CB 0.776 30.232 29.700 -0.407 0.000 1.267 279 E HN 0.048 nan 8.360 nan 0.000 0.438 280 M N 3.692 123.184 119.600 -0.180 0.000 2.274 280 M HA 0.446 4.902 4.480 -0.041 0.000 0.272 280 M C -2.094 173.937 176.300 -0.448 0.000 1.053 280 M CA -0.671 54.373 55.300 -0.426 0.000 0.978 280 M CB 1.356 33.579 32.600 -0.627 0.000 1.836 280 M HN 0.491 nan 8.290 nan 0.000 0.484 281 V N 5.427 125.046 119.914 -0.492 0.000 2.823 281 V HA 0.794 4.890 4.120 -0.041 0.000 0.312 281 V C -1.476 174.268 176.094 -0.583 0.000 1.072 281 V CA -0.344 61.547 62.300 -0.682 0.000 0.937 281 V CB 2.447 33.718 31.823 -0.919 0.000 1.013 281 V HN 0.631 nan 8.190 nan 0.000 0.430 282 V N 7.997 127.596 119.914 -0.525 0.000 2.289 282 V HA 0.421 4.516 4.120 -0.041 0.000 0.272 282 V C -2.431 173.528 176.094 -0.225 0.000 1.026 282 V CA -1.319 60.785 62.300 -0.327 0.000 0.807 282 V CB 1.401 33.202 31.823 -0.036 0.000 1.044 282 V HN 0.827 nan 8.190 nan 0.000 0.443 283 P HA 0.323 nan 4.420 nan 0.000 0.286 283 P C -1.276 175.879 177.300 -0.242 0.000 1.269 283 P CA -0.317 62.678 63.100 -0.176 0.000 0.787 283 P CB 1.019 32.606 31.700 -0.188 0.000 0.920 284 Y N 0.888 121.123 120.300 -0.108 0.000 2.334 284 Y HA 0.458 4.984 4.550 -0.039 0.000 0.328 284 Y C 1.743 177.610 175.900 -0.055 0.000 1.130 284 Y CA 0.312 58.362 58.100 -0.082 0.000 1.163 284 Y CB 1.380 39.721 38.460 -0.199 0.000 1.207 284 Y HN 0.480 nan 8.280 nan 0.000 0.471 285 G N 1.466 110.315 108.800 0.082 0.000 3.820 285 G HA2 0.015 3.951 3.960 -0.041 0.000 0.293 285 G HA3 0.015 3.951 3.960 -0.041 0.000 0.293 285 G C -0.746 174.198 174.900 0.073 0.000 1.152 285 G CA -0.194 44.956 45.100 0.083 0.000 0.921 285 G HN 0.512 nan 8.290 nan 0.000 0.544 286 D N 1.100 121.524 120.400 0.040 0.000 2.317 286 D HA 0.260 4.875 4.640 -0.041 0.000 0.234 286 D C -1.098 175.177 176.300 -0.042 0.000 1.112 286 D CA -2.397 51.587 54.000 -0.026 0.000 0.840 286 D CB 2.373 43.146 40.800 -0.044 0.000 1.078 286 D HN 0.036 nan 8.370 nan 0.000 0.486 287 P HA -0.041 nan 4.420 nan 0.000 0.242 287 P C 0.402 177.688 177.300 -0.023 0.000 1.197 287 P CA 0.003 63.092 63.100 -0.018 0.000 0.765 287 P CB 0.182 31.882 31.700 -0.001 0.000 0.936 288 S N 2.435 118.109 115.700 -0.043 0.000 2.549 288 S HA 0.085 4.530 4.470 -0.041 0.000 0.286 288 S C -0.925 173.669 174.600 -0.009 0.000 1.314 288 S CA -1.062 57.121 58.200 -0.028 0.000 1.062 288 S CB 0.200 63.360 63.200 -0.066 0.000 0.865 288 S HN 0.031 nan 8.310 nan 0.000 0.498 289 P HA -0.087 nan 4.420 nan 0.000 0.225 289 P C 1.299 178.735 177.300 0.227 0.000 1.148 289 P CA 0.644 63.822 63.100 0.130 0.000 0.779 289 P CB -0.060 31.721 31.700 0.136 0.000 0.780 290 I N -0.226 120.426 120.570 0.136 0.000 2.546 290 I HA -0.071 4.074 4.170 -0.041 0.000 0.255 290 I C 2.036 178.261 176.117 0.180 0.000 1.163 290 I CA 1.217 62.639 61.300 0.202 0.000 1.457 290 I CB -0.960 37.059 38.000 0.031 0.000 1.092 290 I HN 0.052 nan 8.210 nan 0.000 0.434 291 R N -0.607 119.779 120.500 -0.191 0.000 2.539 291 R HA 0.097 4.412 4.340 -0.041 0.000 0.342 291 R C 1.871 177.673 176.300 -0.829 0.000 0.941 291 R CA 0.484 56.157 56.100 -0.710 0.000 1.146 291 R CB 0.272 30.304 30.300 -0.447 0.000 1.541 291 R HN 0.252 nan 8.270 nan 0.000 0.525 292 S N 0.798 116.222 115.700 -0.460 0.000 2.500 292 S HA -0.111 4.334 4.470 -0.041 0.000 0.239 292 S C 1.349 175.749 174.600 -0.334 0.000 0.989 292 S CA 0.432 58.463 58.200 -0.282 0.000 0.951 292 S CB -0.384 62.752 63.200 -0.106 0.000 0.759 292 S HN 0.616 nan 8.310 nan 0.000 0.523 293 W N 0.298 121.437 121.300 -0.268 0.000 3.211 293 W HA 0.402 5.034 4.660 -0.045 0.000 0.292 293 W C 0.464 176.992 176.519 0.015 0.000 1.268 293 W CA -0.705 56.348 57.345 -0.487 0.000 1.702 293 W CB -0.634 28.385 29.460 -0.736 0.000 1.092 293 W HN 0.263 nan 8.180 nan 0.000 0.643 294 Q N 2.885 122.240 119.800 -0.742 0.000 2.263 294 Q HA 0.075 4.391 4.340 -0.041 0.000 0.270 294 Q C -0.704 175.303 176.000 0.013 0.000 1.104 294 Q CA 0.763 56.243 55.803 -0.539 0.000 0.909 294 Q CB 0.075 28.185 28.738 -1.048 0.000 1.214 294 Q HN 0.035 nan 8.270 nan 0.000 0.400 295 N N 4.268 123.101 118.700 0.222 0.000 2.629 295 N HA 0.066 4.781 4.740 -0.041 0.000 0.277 295 N C -1.845 173.851 175.510 0.311 0.000 1.188 295 N CA -0.426 52.746 53.050 0.203 0.000 0.835 295 N CB 1.210 39.826 38.487 0.215 0.000 1.420 295 N HN 0.526 nan 8.380 nan 0.000 0.542 296 Y N 1.134 121.489 120.300 0.092 0.000 2.342 296 Y HA 0.602 5.129 4.550 -0.039 0.000 0.338 296 Y C -1.250 174.735 175.900 0.142 0.000 0.965 296 Y CA -0.907 57.336 58.100 0.239 0.000 1.159 296 Y CB 0.389 38.950 38.460 0.169 0.000 1.157 296 Y HN 0.172 nan 8.280 nan 0.000 0.486 297 F N 5.459 125.440 119.950 0.053 0.000 2.423 297 F HA 0.467 4.969 4.527 -0.042 0.000 0.356 297 F C 1.327 177.111 175.800 -0.027 0.000 1.170 297 F CA -0.063 57.883 58.000 -0.090 0.000 1.163 297 F CB 0.643 39.650 39.000 0.012 0.000 1.318 297 F HN 0.902 nan 8.300 nan 0.000 0.569 298 A N 2.231 124.885 122.820 -0.276 0.000 1.892 298 A HA -0.189 4.106 4.320 -0.041 0.000 0.218 298 A C 2.237 179.968 177.584 0.245 0.000 1.188 298 A CA 2.532 54.592 52.037 0.039 0.000 0.631 298 A CB -0.842 18.093 19.000 -0.108 0.000 0.822 298 A HN 0.621 nan 8.150 nan 0.000 0.447 299 T N -0.632 113.987 114.554 0.108 0.000 2.698 299 T HA 0.053 4.378 4.350 -0.041 0.000 0.260 299 T C 2.039 176.756 174.700 0.027 0.000 1.044 299 T CA 1.387 63.535 62.100 0.079 0.000 1.149 299 T CB -0.825 68.053 68.868 0.017 0.000 0.864 299 T HN 0.556 nan 8.240 nan 0.000 0.419 300 G N 0.980 109.786 108.800 0.010 0.000 2.402 300 G HA2 -0.141 3.794 3.960 -0.041 0.000 0.216 300 G HA3 -0.141 3.794 3.960 -0.041 0.000 0.216 300 G C 1.474 176.342 174.900 -0.054 0.000 1.162 300 G CA 0.596 45.625 45.100 -0.119 0.000 0.777 300 G HN 0.515 nan 8.290 nan 0.000 0.539 301 E N -1.090 119.172 120.200 0.104 0.000 2.127 301 E HA 0.073 4.398 4.350 -0.041 0.000 0.191 301 E C 1.846 178.461 176.600 0.025 0.000 0.964 301 E CA 0.434 56.860 56.400 0.043 0.000 0.832 301 E CB 0.056 29.812 29.700 0.094 0.000 0.790 301 E HN 0.566 nan 8.360 nan 0.000 0.465 302 Y N -0.014 120.457 120.300 0.284 0.000 2.507 302 Y HA 0.279 4.804 4.550 -0.042 0.000 0.263 302 Y C 0.054 176.173 175.900 0.365 0.000 1.093 302 Y CA -0.003 58.343 58.100 0.409 0.000 1.285 302 Y CB 0.572 39.364 38.460 0.552 0.000 1.115 302 Y HN -0.146 nan 8.280 nan 0.000 0.533 303 L N 0.791 122.229 121.223 0.359 0.000 2.939 303 L HA -0.200 4.116 4.340 -0.041 0.000 0.705 303 L C 1.090 178.110 176.870 0.251 0.000 1.098 303 L CA 0.017 54.977 54.840 0.199 0.000 1.347 303 L CB -1.663 40.468 42.059 0.120 0.000 1.956 303 L HN 0.169 nan 8.230 nan 0.000 0.922 304 V N -0.682 119.392 119.914 0.266 0.000 2.568 304 V HA -0.142 3.954 4.120 -0.041 0.000 0.253 304 V C 2.181 178.437 176.094 0.270 0.000 1.072 304 V CA 2.254 64.760 62.300 0.343 0.000 1.084 304 V CB -0.553 31.441 31.823 0.285 0.000 0.676 304 V HN 0.823 nan 8.190 nan 0.000 0.469 305 G N 1.064 109.893 108.800 0.049 0.000 2.432 305 G HA2 -0.277 3.658 3.960 -0.041 0.000 0.219 305 G HA3 -0.277 3.658 3.960 -0.041 0.000 0.219 305 G C 1.564 176.553 174.900 0.147 0.000 1.135 305 G CA 0.905 45.980 45.100 -0.041 0.000 0.767 305 G HN 0.815 nan 8.290 nan 0.000 0.550 306 Q N -0.941 118.836 119.800 -0.039 0.000 2.364 306 Q HA -0.042 4.274 4.340 -0.041 0.000 0.207 306 Q C 1.074 176.922 176.000 -0.253 0.000 0.970 306 Q CA 0.896 56.581 55.803 -0.196 0.000 0.888 306 Q CB -0.286 28.192 28.738 -0.433 0.000 0.951 306 Q HN 0.524 nan 8.270 nan 0.000 0.469 307 Y N 0.739 121.190 120.300 0.251 0.000 2.571 307 Y HA 0.487 5.013 4.550 -0.039 0.000 0.275 307 Y C 0.602 176.679 175.900 0.295 0.000 1.179 307 Y CA -0.818 57.435 58.100 0.254 0.000 1.242 307 Y CB -0.006 38.623 38.460 0.281 0.000 1.126 307 Y HN 0.163 nan 8.280 nan 0.000 0.524 308 A N 1.080 124.148 122.820 0.413 0.000 2.540 308 A HA 0.128 4.424 4.320 -0.041 0.000 0.239 308 A C 0.284 178.061 177.584 0.320 0.000 1.061 308 A CA -0.303 52.007 52.037 0.454 0.000 0.758 308 A CB -0.045 19.219 19.000 0.439 0.000 0.991 308 A HN 0.340 nan 8.150 nan 0.000 0.502 309 N N 1.057 119.953 118.700 0.328 0.000 2.483 309 N HA 0.274 4.989 4.740 -0.041 0.000 0.269 309 N C -0.367 175.237 175.510 0.156 0.000 1.209 309 N CA -0.190 52.993 53.050 0.222 0.000 0.969 309 N CB 0.866 39.475 38.487 0.203 0.000 1.173 309 N HN 0.494 nan 8.380 nan 0.000 0.475 310 S N 0.789 116.542 115.700 0.088 0.000 2.465 310 S HA 0.313 4.758 4.470 -0.041 0.000 0.279 310 S C 0.238 174.857 174.600 0.032 0.000 1.201 310 S CA -0.629 57.587 58.200 0.027 0.000 1.053 310 S CB -0.041 63.151 63.200 -0.012 0.000 0.953 310 S HN 0.227 nan 8.310 nan 0.000 0.488 311 L N 3.829 125.081 121.223 0.049 0.000 2.281 311 L HA 0.349 4.665 4.340 -0.041 0.000 0.285 311 L C 0.461 177.357 176.870 0.045 0.000 1.074 311 L CA -0.620 54.282 54.840 0.104 0.000 0.817 311 L CB 0.396 42.612 42.059 0.262 0.000 1.168 311 L HN 0.425 nan 8.230 nan 0.000 0.434 312 E N 3.178 123.404 120.200 0.045 0.000 2.289 312 E HA 0.194 4.519 4.350 -0.041 0.000 0.278 312 E C -0.366 176.296 176.600 0.103 0.000 1.032 312 E CA -0.815 55.603 56.400 0.031 0.000 0.854 312 E CB 1.962 31.669 29.700 0.012 0.000 1.046 312 E HN 0.288 nan 8.360 nan 0.000 0.409 313 L N 1.903 123.204 121.223 0.131 0.000 2.490 313 L HA 0.218 4.534 4.340 -0.041 0.000 0.274 313 L C 1.357 178.275 176.870 0.079 0.000 1.201 313 L CA 1.752 56.692 54.840 0.167 0.000 0.869 313 L CB 0.277 42.445 42.059 0.181 0.000 1.123 313 L HN 0.789 nan 8.230 nan 0.000 0.484 314 G N 1.956 110.789 108.800 0.056 0.000 2.267 314 G HA2 -0.334 3.602 3.960 -0.041 0.000 0.257 314 G HA3 -0.334 3.602 3.960 -0.041 0.000 0.257 314 G C 0.787 175.700 174.900 0.022 0.000 0.998 314 G CA 0.478 45.596 45.100 0.029 0.000 0.620 314 G HN 0.803 nan 8.290 nan 0.000 0.529 315 C N -0.763 118.554 119.300 0.028 0.000 2.463 315 C HA 0.325 4.761 4.460 -0.041 0.000 0.322 315 C C 2.192 177.189 174.990 0.012 0.000 1.556 315 C CA 1.168 60.193 59.018 0.012 0.000 2.225 315 C CB -0.421 27.321 27.740 0.004 0.000 1.995 315 C HN 0.479 nan 8.230 nan 0.000 0.678 316 D N 0.188 120.608 120.400 0.032 0.000 2.162 316 D HA 0.035 4.650 4.640 -0.041 0.000 0.205 316 D C 0.198 176.554 176.300 0.093 0.000 0.964 316 D CA 1.160 55.191 54.000 0.051 0.000 0.847 316 D CB 0.101 40.942 40.800 0.068 0.000 0.988 316 D HN 0.413 nan 8.370 nan 0.000 0.480 317 c N 1.687 120.333 118.600 0.076 0.000 2.346 317 c HA 0.551 5.096 4.570 -0.041 0.000 0.326 317 c C -0.307 173.734 174.090 -0.082 0.000 1.224 317 c CA -1.104 55.212 56.329 -0.023 0.000 1.408 317 c CB 0.902 43.386 42.510 -0.043 0.000 2.089 317 c HN 0.161 nan 8.230 nan 0.000 0.456 318 L N 3.922 125.061 121.223 -0.140 0.000 2.325 318 L HA 0.964 5.279 4.340 -0.041 0.000 0.278 318 L C 0.508 177.289 176.870 -0.148 0.000 1.023 318 L CA 1.728 56.510 54.840 -0.096 0.000 0.811 318 L CB 1.117 43.155 42.059 -0.036 0.000 1.249 318 L HN 1.129 nan 8.230 nan 0.000 0.431 319 G N 3.196 111.954 108.800 -0.070 0.000 2.384 319 G HA2 -0.147 3.788 3.960 -0.041 0.000 0.204 319 G HA3 -0.147 3.788 3.960 -0.041 0.000 0.204 319 G C -1.113 173.772 174.900 -0.026 0.000 1.237 319 G CA -0.226 44.853 45.100 -0.035 0.000 1.060 319 G HN 0.725 nan 8.290 nan 0.000 0.514 320 D N 0.870 121.278 120.400 0.014 0.000 2.393 320 D HA 0.493 5.108 4.640 -0.041 0.000 0.232 320 D C -0.327 175.994 176.300 0.035 0.000 1.192 320 D CA -0.082 53.930 54.000 0.020 0.000 0.882 320 D CB 0.403 41.217 40.800 0.023 0.000 1.038 320 D HN 0.309 nan 8.370 nan 0.000 0.499 321 I N 2.167 122.713 120.570 -0.041 0.000 2.412 321 I HA 0.179 4.325 4.170 -0.041 0.000 0.296 321 I C 0.624 176.651 176.117 -0.149 0.000 0.987 321 I CA -0.344 60.872 61.300 -0.141 0.000 1.180 321 I CB 2.088 39.828 38.000 -0.433 0.000 1.340 321 I HN 0.082 nan 8.210 nan 0.000 0.455 322 T N 5.697 120.220 114.554 -0.051 0.000 2.770 322 T HA 0.501 4.826 4.350 -0.041 0.000 0.283 322 T C -0.720 173.926 174.700 -0.090 0.000 0.988 322 T CA -0.291 61.834 62.100 0.041 0.000 0.957 322 T CB 0.177 69.221 68.868 0.294 0.000 0.930 322 T HN 0.123 nan 8.240 nan 0.000 0.443 323 Y N 2.035 122.388 120.300 0.089 0.000 2.403 323 Y HA 0.652 5.178 4.550 -0.041 0.000 0.323 323 Y C 0.267 176.185 175.900 0.029 0.000 1.226 323 Y CA -1.221 56.910 58.100 0.051 0.000 1.235 323 Y CB 1.011 39.492 38.460 0.035 0.000 1.248 323 Y HN 0.352 nan 8.280 nan 0.000 0.489 324 L N 1.202 122.540 121.223 0.190 0.000 2.386 324 L HA 0.500 4.815 4.340 -0.041 0.000 0.271 324 L C -0.710 176.168 176.870 0.013 0.000 0.993 324 L CA -0.649 54.234 54.840 0.071 0.000 0.819 324 L CB 2.085 44.156 42.059 0.019 0.000 1.294 324 L HN 0.537 nan 8.230 nan 0.000 0.414 325 S N 3.322 119.004 115.700 -0.030 0.000 2.406 325 S HA 0.328 4.774 4.470 -0.041 0.000 0.224 325 S C -2.328 172.194 174.600 -0.131 0.000 1.426 325 S CA -1.014 57.134 58.200 -0.088 0.000 1.179 325 S CB 0.724 63.891 63.200 -0.054 0.000 1.042 325 S HN 0.391 nan 8.310 nan 0.000 0.479 326 P HA 0.216 nan 4.420 nan 0.000 0.269 326 P C -0.742 176.462 177.300 -0.160 0.000 1.215 326 P CA -0.260 62.681 63.100 -0.266 0.000 0.780 326 P CB 0.749 32.020 31.700 -0.716 0.000 0.898 327 V N 3.686 123.575 119.914 -0.042 0.000 2.555 327 V HA 0.438 4.533 4.120 -0.041 0.000 0.302 327 V C 0.600 176.723 176.094 0.048 0.000 1.038 327 V CA -0.638 61.658 62.300 -0.005 0.000 0.887 327 V CB 1.559 33.386 31.823 0.006 0.000 0.991 327 V HN 0.500 nan 8.190 nan 0.000 0.434 328 I N 1.086 121.676 120.570 0.033 0.000 3.206 328 I HA 0.710 4.855 4.170 -0.041 0.000 0.313 328 I C -0.252 175.860 176.117 -0.008 0.000 1.103 328 I CA -0.892 60.428 61.300 0.033 0.000 0.985 328 I CB 1.878 39.907 38.000 0.049 0.000 1.240 328 I HN 0.580 nan 8.210 nan 0.000 0.464 329 S N 1.198 116.874 115.700 -0.039 0.000 2.578 329 S HA 0.480 4.926 4.470 -0.041 0.000 0.283 329 S C -0.502 174.072 174.600 -0.043 0.000 1.195 329 S CA -0.448 57.724 58.200 -0.046 0.000 1.050 329 S CB 0.718 63.873 63.200 -0.075 0.000 1.012 329 S HN 0.806 nan 8.310 nan 0.000 0.511 330 D N 2.341 122.733 120.400 -0.014 0.000 2.506 330 D HA 0.436 5.051 4.640 -0.041 0.000 0.272 330 D C 1.154 177.424 176.300 -0.048 0.000 1.214 330 D CA -0.242 53.754 54.000 -0.006 0.000 1.067 330 D CB 0.201 41.038 40.800 0.061 0.000 1.117 330 D HN 0.468 nan 8.370 nan 0.000 0.578 331 A N -1.038 121.711 122.820 -0.118 0.000 2.178 331 A HA -0.042 4.253 4.320 -0.041 0.000 0.218 331 A C 1.355 178.632 177.584 -0.512 0.000 1.157 331 A CA 0.818 52.659 52.037 -0.327 0.000 0.689 331 A CB -0.935 17.783 19.000 -0.471 0.000 0.787 331 A HN 0.464 nan 8.150 nan 0.000 0.465 332 F N -1.841 118.113 119.950 0.006 0.000 2.682 332 F HA 0.401 4.903 4.527 -0.042 0.000 0.308 332 F C 1.701 177.494 175.800 -0.012 0.000 1.093 332 F CA 0.378 58.380 58.000 0.003 0.000 1.244 332 F CB 0.504 39.505 39.000 0.002 0.000 1.052 332 F HN 0.300 nan 8.300 nan 0.000 0.573 333 G N 0.196 109.047 108.800 0.084 0.000 2.176 333 G HA2 -0.249 3.687 3.960 -0.041 0.000 0.232 333 G HA3 -0.249 3.687 3.960 -0.041 0.000 0.232 333 G C -0.030 174.881 174.900 0.019 0.000 0.986 333 G CA -0.496 44.620 45.100 0.027 0.000 0.643 333 G HN 0.239 nan 8.290 nan 0.000 0.522 334 N N 2.205 120.939 118.700 0.056 0.000 2.514 334 N HA 0.406 5.122 4.740 -0.041 0.000 0.277 334 N C -2.495 173.019 175.510 0.007 0.000 1.126 334 N CA -1.001 52.067 53.050 0.030 0.000 0.978 334 N CB 1.632 40.151 38.487 0.053 0.000 1.106 334 N HN 0.208 nan 8.380 nan 0.000 0.461 335 P HA 0.168 nan 4.420 nan 0.000 0.276 335 P C -0.587 176.711 177.300 -0.004 0.000 1.230 335 P CA -0.079 63.012 63.100 -0.014 0.000 0.776 335 P CB 1.101 32.787 31.700 -0.023 0.000 0.888 336 R N 2.023 122.521 120.500 -0.003 0.000 2.476 336 R HA 0.264 4.579 4.340 -0.041 0.000 0.305 336 R C -0.412 175.881 176.300 -0.011 0.000 0.965 336 R CA -0.620 55.479 56.100 -0.001 0.000 0.867 336 R CB 1.408 31.711 30.300 0.005 0.000 1.176 336 R HN 0.470 nan 8.270 nan 0.000 0.447 337 E N 5.264 125.454 120.200 -0.017 0.000 2.249 337 E HA 0.171 4.497 4.350 -0.041 0.000 0.280 337 E C -0.705 175.868 176.600 -0.044 0.000 1.016 337 E CA -0.507 55.872 56.400 -0.035 0.000 0.830 337 E CB 0.942 30.623 29.700 -0.032 0.000 1.081 337 E HN 0.576 nan 8.360 nan 0.000 0.395 338 I N 5.578 126.099 120.570 -0.082 0.000 2.316 338 I HA 0.193 4.338 4.170 -0.041 0.000 0.286 338 I C 0.625 176.684 176.117 -0.096 0.000 1.107 338 I CA -0.475 60.774 61.300 -0.085 0.000 1.219 338 I CB 0.415 38.328 38.000 -0.145 0.000 1.455 338 I HN 0.407 nan 8.210 nan 0.000 0.498 339 R N 6.513 126.970 120.500 -0.070 0.000 2.504 339 R HA -0.062 4.254 4.340 -0.041 0.000 0.291 339 R C 0.201 176.427 176.300 -0.122 0.000 0.974 339 R CA 0.345 56.391 56.100 -0.089 0.000 1.077 339 R CB 0.223 30.474 30.300 -0.081 0.000 0.926 339 R HN 0.626 nan 8.270 nan 0.000 0.407 340 N N 2.503 121.112 118.700 -0.152 0.000 2.716 340 N HA -0.185 4.530 4.740 -0.041 0.000 0.250 340 N C 0.598 176.103 175.510 -0.009 0.000 1.033 340 N CA 1.147 54.073 53.050 -0.207 0.000 0.727 340 N CB -1.205 36.851 38.487 -0.719 0.000 0.950 340 N HN 0.889 nan 8.380 nan 0.000 0.541 341 G N -0.962 107.828 108.800 -0.017 0.000 2.572 341 G HA2 0.215 4.150 3.960 -0.041 0.000 0.216 341 G HA3 0.215 4.150 3.960 -0.041 0.000 0.216 341 G C 0.551 175.506 174.900 0.091 0.000 1.133 341 G CA 0.230 45.333 45.100 0.005 0.000 0.791 341 G HN 0.457 nan 8.290 nan 0.000 0.538 342 I N 0.339 120.975 120.570 0.109 0.000 2.466 342 I HA 0.308 4.454 4.170 -0.041 0.000 0.289 342 I C -0.774 175.459 176.117 0.193 0.000 1.026 342 I CA -0.904 60.481 61.300 0.142 0.000 1.078 342 I CB 2.420 40.440 38.000 0.034 0.000 1.249 342 I HN -0.192 nan 8.210 nan 0.000 0.429 343 c N 6.974 125.661 118.600 0.144 0.000 2.341 343 c HA 0.696 5.242 4.570 -0.041 0.000 0.338 343 c C 0.041 174.129 174.090 -0.002 0.000 1.257 343 c CA -0.508 55.829 56.329 0.013 0.000 1.883 343 c CB 0.733 43.283 42.510 0.066 0.000 2.334 343 c HN 0.662 nan 8.230 nan 0.000 0.524 344 M N 5.586 125.147 119.600 -0.066 0.000 2.267 344 M HA 0.504 4.959 4.480 -0.041 0.000 0.289 344 M C -0.705 175.579 176.300 -0.027 0.000 1.043 344 M CA -0.166 55.031 55.300 -0.172 0.000 0.928 344 M CB 1.920 34.324 32.600 -0.326 0.000 1.613 344 M HN 0.965 nan 8.290 nan 0.000 0.450 345 H N 0.931 119.850 119.070 -0.252 0.000 2.987 345 H HA 0.473 5.005 4.556 -0.041 0.000 0.316 345 H C -2.113 173.155 175.328 -0.099 0.000 1.380 345 H CA -1.010 55.053 56.048 0.024 0.000 1.160 345 H CB 1.152 30.937 29.762 0.038 0.000 1.865 345 H HN 0.754 nan 8.280 nan 0.000 0.521 346 E N 1.120 121.361 120.200 0.068 0.000 2.221 346 E HA 0.536 4.862 4.350 -0.041 0.000 0.268 346 E C -0.885 175.756 176.600 0.068 0.000 0.933 346 E CA -0.934 55.396 56.400 -0.116 0.000 0.809 346 E CB 2.843 32.609 29.700 0.109 0.000 1.190 346 E HN 0.728 nan 8.360 nan 0.000 0.406 347 E N 1.730 121.944 120.200 0.023 0.000 2.383 347 E HA 0.256 4.582 4.350 -0.041 0.000 0.275 347 E C -1.420 175.300 176.600 0.200 0.000 0.918 347 E CA -1.017 55.471 56.400 0.146 0.000 0.764 347 E CB 1.542 31.343 29.700 0.169 0.000 1.252 347 E HN 0.524 nan 8.360 nan 0.000 0.449 348 D N 1.193 121.721 120.400 0.213 0.000 2.443 348 D HA -0.042 4.573 4.640 -0.041 0.000 0.239 348 D C -0.941 175.563 176.300 0.339 0.000 1.136 348 D CA 0.095 54.230 54.000 0.225 0.000 0.879 348 D CB 0.549 41.431 40.800 0.138 0.000 1.195 348 D HN 0.511 nan 8.370 nan 0.000 0.443 349 W N 5.776 127.117 121.300 0.068 0.000 1.340 349 W HA 0.372 5.007 4.660 -0.042 0.000 0.301 349 W C 0.257 176.811 176.519 0.058 0.000 0.834 349 W CA 0.066 57.450 57.345 0.064 0.000 2.473 349 W CB 0.095 29.634 29.460 0.132 0.000 1.837 349 W HN 0.842 nan 8.180 nan 0.000 0.528 350 G N 1.972 110.717 108.800 -0.091 0.000 2.575 350 G HA2 -0.333 3.602 3.960 -0.041 0.000 0.267 350 G HA3 -0.333 3.602 3.960 -0.041 0.000 0.267 350 G C -0.327 174.560 174.900 -0.021 0.000 1.264 350 G CA -0.086 44.938 45.100 -0.125 0.000 0.935 350 G HN 0.097 nan 8.290 nan 0.000 0.568 351 I N 1.217 121.764 120.570 -0.038 0.000 2.496 351 I HA 0.206 4.351 4.170 -0.041 0.000 0.285 351 I C 1.586 177.735 176.117 0.052 0.000 1.080 351 I CA -0.030 61.273 61.300 0.006 0.000 1.404 351 I CB 0.868 38.863 38.000 -0.008 0.000 1.403 351 I HN 0.629 nan 8.210 nan 0.000 0.539 352 L N 6.362 127.632 121.223 0.079 0.000 2.286 352 L HA 0.481 4.797 4.340 -0.041 0.000 0.203 352 L C 0.599 177.530 176.870 0.103 0.000 1.068 352 L CA 0.988 55.896 54.840 0.113 0.000 0.811 352 L CB 0.145 42.280 42.059 0.128 0.000 0.989 352 L HN 0.714 nan 8.230 nan 0.000 0.467 353 A N -0.439 122.449 122.820 0.114 0.000 2.589 353 A HA 0.651 4.946 4.320 -0.041 0.000 0.296 353 A C -1.147 176.555 177.584 0.198 0.000 1.062 353 A CA -0.599 51.534 52.037 0.160 0.000 0.686 353 A CB 1.097 20.236 19.000 0.232 0.000 1.282 353 A HN 0.045 nan 8.150 nan 0.000 0.404 354 K N 0.943 121.464 120.400 0.202 0.000 2.557 354 K HA 0.592 4.888 4.320 -0.041 0.000 0.261 354 K C -2.177 174.575 176.600 0.253 0.000 0.932 354 K CA -0.523 55.895 56.287 0.217 0.000 0.829 354 K CB 1.802 34.363 32.500 0.102 0.000 1.358 354 K HN 1.130 nan 8.250 nan 0.000 0.430 355 H N 0.202 119.352 119.070 0.134 0.000 3.129 355 H HA 0.366 4.897 4.556 -0.041 0.000 0.342 355 H C -1.996 173.364 175.328 0.053 0.000 1.092 355 H CA -0.371 55.709 56.048 0.054 0.000 1.310 355 H CB 1.860 31.627 29.762 0.008 0.000 1.932 355 H HN 0.424 nan 8.280 nan 0.000 0.507 356 S N 4.065 119.432 115.700 -0.554 0.000 2.594 356 S HA 0.186 4.632 4.470 -0.041 0.000 0.322 356 S C -0.805 173.347 174.600 -0.748 0.000 1.085 356 S CA -0.688 57.244 58.200 -0.447 0.000 1.116 356 S CB 0.628 63.699 63.200 -0.214 0.000 0.979 356 S HN 0.667 nan 8.310 nan 0.000 0.465 357 D N 2.028 122.059 120.400 -0.615 0.000 2.249 357 D HA 0.281 4.896 4.640 -0.041 0.000 0.246 357 D C 0.994 177.177 176.300 -0.195 0.000 1.114 357 D CA -0.579 53.192 54.000 -0.382 0.000 0.854 357 D CB 0.833 41.587 40.800 -0.076 0.000 1.132 357 D HN 0.273 nan 8.370 nan 0.000 0.461 358 L N 5.282 126.353 121.223 -0.254 0.000 2.141 358 L HA 0.033 4.348 4.340 -0.041 0.000 0.209 358 L C 1.089 177.930 176.870 -0.049 0.000 1.094 358 L CA 1.449 56.161 54.840 -0.213 0.000 0.763 358 L CB -0.264 41.585 42.059 -0.350 0.000 0.908 358 L HN 0.622 nan 8.230 nan 0.000 0.437 359 W N -0.761 120.544 121.300 0.007 0.000 2.494 359 W HA 0.107 4.742 4.660 -0.041 0.000 0.286 359 W C 2.848 179.370 176.519 0.005 0.000 1.218 359 W CA 1.081 58.432 57.345 0.009 0.000 1.313 359 W CB -1.449 28.022 29.460 0.017 0.000 1.105 359 W HN 0.464 nan 8.180 nan 0.000 0.561 360 S N -0.718 115.115 115.700 0.223 0.000 2.478 360 S HA 0.252 4.697 4.470 -0.041 0.000 0.222 360 S C 1.815 176.460 174.600 0.074 0.000 1.008 360 S CA 0.961 59.239 58.200 0.131 0.000 0.928 360 S CB -0.137 63.131 63.200 0.113 0.000 0.781 360 S HN 0.375 nan 8.310 nan 0.000 0.518 361 G N 1.172 109.999 108.800 0.046 0.000 2.184 361 G HA2 -0.247 3.688 3.960 -0.041 0.000 0.264 361 G HA3 -0.247 3.688 3.960 -0.041 0.000 0.264 361 G C 0.040 174.940 174.900 0.001 0.000 0.975 361 G CA 0.386 45.495 45.100 0.014 0.000 0.642 361 G HN 0.610 nan 8.290 nan 0.000 0.536 362 I N 1.391 121.965 120.570 0.007 0.000 2.371 362 I HA 0.239 4.384 4.170 -0.041 0.000 0.290 362 I C -0.289 175.825 176.117 -0.004 0.000 1.028 362 I CA -0.648 60.664 61.300 0.021 0.000 1.345 362 I CB 0.823 38.854 38.000 0.051 0.000 1.407 362 I HN -0.010 nan 8.210 nan 0.000 0.501 363 N N 6.518 125.230 118.700 0.019 0.000 2.424 363 N HA 0.292 5.008 4.740 -0.041 0.000 0.271 363 N C -1.304 174.271 175.510 0.108 0.000 0.985 363 N CA -0.419 52.640 53.050 0.014 0.000 0.921 363 N CB 1.898 40.377 38.487 -0.013 0.000 1.149 363 N HN 0.450 nan 8.380 nan 0.000 0.492 364 Y N 1.096 121.380 120.300 -0.025 0.000 2.391 364 Y HA 0.475 5.000 4.550 -0.041 0.000 0.341 364 Y C -0.984 174.924 175.900 0.015 0.000 0.965 364 Y CA -0.302 57.803 58.100 0.008 0.000 1.067 364 Y CB 1.636 40.118 38.460 0.036 0.000 1.199 364 Y HN 0.332 nan 8.280 nan 0.000 0.450 365 T N 6.835 121.198 114.554 -0.318 0.000 2.993 365 T HA 0.589 4.914 4.350 -0.041 0.000 0.312 365 T C -1.345 173.132 174.700 -0.372 0.000 1.115 365 T CA -1.011 60.958 62.100 -0.218 0.000 1.027 365 T CB 1.277 70.086 68.868 -0.097 0.000 1.116 365 T HN 0.429 nan 8.240 nan 0.000 0.464 366 R N 1.843 122.209 120.500 -0.223 0.000 2.673 366 R HA 0.555 4.870 4.340 -0.041 0.000 0.281 366 R C -0.671 175.611 176.300 -0.030 0.000 0.991 366 R CA -0.985 55.020 56.100 -0.158 0.000 0.896 366 R CB 1.938 32.157 30.300 -0.136 0.000 1.201 366 R HN 0.458 nan 8.270 nan 0.000 0.457 367 R N 1.265 121.763 120.500 -0.003 0.000 2.500 367 R HA 0.352 4.667 4.340 -0.041 0.000 0.277 367 R C 0.250 176.614 176.300 0.108 0.000 1.026 367 R CA -0.849 55.279 56.100 0.047 0.000 1.058 367 R CB 0.697 31.025 30.300 0.047 0.000 1.078 367 R HN 0.465 nan 8.270 nan 0.000 0.509 368 N N 0.661 119.461 118.700 0.167 0.000 2.459 368 N HA 0.421 5.137 4.740 -0.041 0.000 0.288 368 N C -0.958 174.753 175.510 0.335 0.000 1.186 368 N CA -0.430 52.782 53.050 0.270 0.000 0.917 368 N CB 1.292 39.987 38.487 0.346 0.000 1.219 368 N HN 0.361 nan 8.380 nan 0.000 0.525 369 R N 0.028 120.770 120.500 0.404 0.000 2.739 369 R HA 0.498 4.814 4.340 -0.041 0.000 0.271 369 R C -0.890 175.644 176.300 0.390 0.000 1.010 369 R CA -0.899 55.452 56.100 0.418 0.000 0.897 369 R CB 2.425 33.017 30.300 0.487 0.000 1.236 369 R HN 0.670 nan 8.270 nan 0.000 0.466 370 R N 1.589 122.122 120.500 0.054 0.000 2.673 370 R HA 0.484 4.799 4.340 -0.041 0.000 0.281 370 R C -1.375 174.459 176.300 -0.777 0.000 0.991 370 R CA -0.924 54.883 56.100 -0.488 0.000 0.896 370 R CB 1.912 31.572 30.300 -1.067 0.000 1.201 370 R HN 0.493 nan 8.270 nan 0.000 0.457 371 M N 3.286 122.133 119.600 -1.255 0.000 2.188 371 M HA 0.320 4.775 4.480 -0.041 0.000 0.357 371 M C -1.600 174.221 176.300 -0.800 0.000 1.204 371 M CA -0.507 53.971 55.300 -1.371 0.000 1.095 371 M CB 1.619 33.182 32.600 -1.728 0.000 1.604 371 M HN 0.466 nan 8.290 nan 0.000 0.464 372 V N 6.691 126.178 119.914 -0.712 0.000 2.448 372 V HA 0.580 4.675 4.120 -0.041 0.000 0.295 372 V C -0.565 175.310 176.094 -0.364 0.000 1.025 372 V CA -0.708 61.332 62.300 -0.433 0.000 0.859 372 V CB 1.606 33.133 31.823 -0.492 0.000 0.988 372 V HN 0.661 nan 8.190 nan 0.000 0.431 373 I N 4.656 125.104 120.570 -0.203 0.000 2.439 373 I HA 0.658 4.803 4.170 -0.041 0.000 0.285 373 I C 0.059 176.181 176.117 0.008 0.000 1.021 373 I CA 0.030 61.265 61.300 -0.109 0.000 1.091 373 I CB 1.592 39.529 38.000 -0.103 0.000 1.242 373 I HN 0.840 nan 8.210 nan 0.000 0.439 374 S N 6.114 121.826 115.700 0.019 0.000 2.638 374 S HA 0.905 5.350 4.470 -0.041 0.000 0.274 374 S C -0.981 173.716 174.600 0.162 0.000 1.157 374 S CA -0.683 57.486 58.200 -0.050 0.000 0.826 374 S CB 2.956 65.821 63.200 -0.559 0.000 1.139 374 S HN 0.468 nan 8.310 nan 0.000 0.474 375 F N -1.140 118.757 119.950 -0.088 0.000 2.686 375 F HA 0.900 5.402 4.527 -0.041 0.000 0.311 375 F C -2.233 173.638 175.800 0.118 0.000 1.128 375 F CA -1.659 56.385 58.000 0.074 0.000 0.946 375 F CB 0.959 40.044 39.000 0.143 0.000 1.336 375 F HN 0.628 nan 8.300 nan 0.000 0.457 376 F N 1.015 120.984 119.950 0.032 0.000 2.547 376 F HA 0.676 5.178 4.527 -0.042 0.000 0.316 376 F C -0.233 175.669 175.800 0.169 0.000 1.121 376 F CA -0.372 57.627 58.000 -0.001 0.000 0.911 376 F CB 2.250 41.293 39.000 0.073 0.000 1.179 376 F HN 0.888 nan 8.300 nan 0.000 0.443 377 T N 2.248 117.024 114.554 0.370 0.000 2.930 377 T HA 0.718 5.043 4.350 -0.041 0.000 0.290 377 T C -1.178 173.796 174.700 0.457 0.000 1.052 377 T CA -0.301 62.082 62.100 0.471 0.000 1.017 377 T CB 1.427 70.592 68.868 0.495 0.000 1.137 377 T HN 0.574 nan 8.240 nan 0.000 0.511 378 T N 3.303 118.098 114.554 0.401 0.000 2.881 378 T HA 0.575 4.900 4.350 -0.041 0.000 0.291 378 T C -0.716 174.089 174.700 0.174 0.000 0.990 378 T CA -0.428 61.825 62.100 0.254 0.000 0.976 378 T CB 0.478 69.461 68.868 0.192 0.000 0.970 378 T HN 0.496 nan 8.240 nan 0.000 0.438 379 I N 3.409 124.037 120.570 0.097 0.000 2.495 379 I HA 0.467 4.613 4.170 -0.041 0.000 0.277 379 I C 1.117 177.133 176.117 -0.169 0.000 1.045 379 I CA -0.346 60.927 61.300 -0.045 0.000 1.135 379 I CB 0.764 38.834 38.000 0.117 0.000 1.241 379 I HN 0.948 nan 8.210 nan 0.000 0.469 380 G N 6.415 115.141 108.800 -0.124 0.000 2.574 380 G HA2 -0.314 3.622 3.960 -0.041 0.000 0.301 380 G HA3 -0.314 3.622 3.960 -0.041 0.000 0.301 380 G C 0.208 175.013 174.900 -0.157 0.000 1.166 380 G CA 0.424 45.486 45.100 -0.064 0.000 0.971 380 G HN 0.705 nan 8.290 nan 0.000 0.542 384 Y N 0.304 120.684 120.300 0.133 0.000 2.425 384 Y HA 0.709 5.234 4.550 -0.041 0.000 0.344 384 Y C 0.746 176.095 175.900 -0.918 0.000 0.969 384 Y CA -1.053 56.918 58.100 -0.216 0.000 1.052 384 Y CB 2.525 41.002 38.460 0.028 0.000 1.215 384 Y HN 0.449 nan 8.280 nan 0.000 0.451 385 G N 2.293 110.397 108.800 -1.160 0.000 2.372 385 G HA2 0.580 4.515 3.960 -0.041 0.000 0.323 385 G HA3 0.580 4.515 3.960 -0.041 0.000 0.323 385 G C -1.689 172.871 174.900 -0.567 0.000 1.152 385 G CA -0.393 43.902 45.100 -1.341 0.000 0.906 385 G HN 0.321 nan 8.290 nan 0.000 0.460 386 F N 1.588 121.032 119.950 -0.843 0.000 2.402 386 F HA 0.482 4.984 4.527 -0.042 0.000 0.355 386 F C -0.702 174.720 175.800 -0.630 0.000 1.123 386 F CA -0.977 56.723 58.000 -0.499 0.000 1.021 386 F CB 1.708 40.558 39.000 -0.249 0.000 1.160 386 F HN 0.306 nan 8.300 nan 0.000 0.451 387 Y N 1.409 121.307 120.300 -0.669 0.000 2.350 387 Y HA 0.443 4.968 4.550 -0.042 0.000 0.338 387 Y C -1.060 174.148 175.900 -1.152 0.000 0.961 387 Y CA -1.545 56.101 58.100 -0.755 0.000 1.100 387 Y CB 1.382 39.336 38.460 -0.844 0.000 1.179 387 Y HN 0.517 nan 8.280 nan 0.000 0.454 388 W N 3.428 124.404 121.300 -0.541 0.000 2.529 388 W HA 0.611 5.246 4.660 -0.041 0.000 0.321 388 W C -1.428 174.694 176.519 -0.660 0.000 1.047 388 W CA -0.726 56.322 57.345 -0.496 0.000 1.216 388 W CB 1.173 30.512 29.460 -0.201 0.000 1.357 388 W HN 0.327 nan 8.180 nan 0.000 0.489 389 Y N 2.976 123.195 120.300 -0.135 0.000 2.409 389 Y HA 0.657 5.182 4.550 -0.041 0.000 0.343 389 Y C -0.279 175.334 175.900 -0.478 0.000 0.973 389 Y CA -1.692 56.142 58.100 -0.443 0.000 1.064 389 Y CB 1.148 39.239 38.460 -0.616 0.000 1.207 389 Y HN 0.063 nan 8.280 nan 0.000 0.452 390 L N 3.911 124.807 121.223 -0.544 0.000 2.356 390 L HA 0.532 4.848 4.340 -0.041 0.000 0.277 390 L C -1.196 175.479 176.870 -0.324 0.000 0.996 390 L CA -0.859 53.603 54.840 -0.630 0.000 0.822 390 L CB 1.319 42.699 42.059 -1.132 0.000 1.256 390 L HN 0.598 nan 8.230 nan 0.000 0.413 391 Y N 1.787 122.237 120.300 0.251 0.000 2.453 391 Y HA 0.320 4.845 4.550 -0.041 0.000 0.326 391 Y C 1.183 177.537 175.900 0.756 0.000 1.186 391 Y CA -0.728 57.635 58.100 0.438 0.000 1.200 391 Y CB 1.471 40.084 38.460 0.254 0.000 1.247 391 Y HN 0.443 nan 8.280 nan 0.000 0.482 392 L N 0.645 122.289 121.223 0.702 0.000 2.079 392 L HA -0.208 4.108 4.340 -0.041 0.000 0.210 392 L C 1.639 178.755 176.870 0.410 0.000 1.081 392 L CA 1.726 56.840 54.840 0.457 0.000 0.752 392 L CB -0.342 41.872 42.059 0.259 0.000 0.896 392 L HN 0.767 nan 8.230 nan 0.000 0.433 393 D N -0.435 120.185 120.400 0.367 0.000 2.352 393 D HA -0.008 4.607 4.640 -0.041 0.000 0.232 393 D C 1.401 177.802 176.300 0.169 0.000 1.055 393 D CA 0.869 54.977 54.000 0.179 0.000 0.891 393 D CB 0.190 41.068 40.800 0.129 0.000 0.897 393 D HN 0.355 nan 8.370 nan 0.000 0.529 394 G N -0.661 108.410 108.800 0.452 0.000 2.176 394 G HA2 -0.246 3.689 3.960 -0.041 0.000 0.232 394 G HA3 -0.246 3.689 3.960 -0.041 0.000 0.232 394 G C 0.417 175.812 174.900 0.824 0.000 0.986 394 G CA 0.200 45.605 45.100 0.508 0.000 0.643 394 G HN 0.462 nan 8.290 nan 0.000 0.522 395 T N 1.292 116.237 114.554 0.652 0.000 2.919 395 T HA 0.563 4.888 4.350 -0.041 0.000 0.302 395 T C 0.508 175.571 174.700 0.605 0.000 1.031 395 T CA 0.466 62.881 62.100 0.526 0.000 1.127 395 T CB 1.299 70.285 68.868 0.197 0.000 0.952 395 T HN 0.342 nan 8.240 nan 0.000 0.540 396 I N 2.418 123.265 120.570 0.462 0.000 2.465 396 I HA 0.502 4.648 4.170 -0.041 0.000 0.291 396 I C 0.062 176.333 176.117 0.256 0.000 1.014 396 I CA -0.634 60.838 61.300 0.287 0.000 1.093 396 I CB 1.963 40.103 38.000 0.232 0.000 1.267 396 I HN 0.615 nan 8.210 nan 0.000 0.431 397 E N 5.534 125.846 120.200 0.185 0.000 2.356 397 E HA 0.484 4.809 4.350 -0.041 0.000 0.275 397 E C -2.042 174.366 176.600 -0.319 0.000 0.904 397 E CA -0.635 55.756 56.400 -0.015 0.000 0.757 397 E CB 2.713 32.536 29.700 0.205 0.000 1.232 397 E HN 0.412 nan 8.360 nan 0.000 0.442 398 F N 2.345 121.686 119.950 -1.015 0.000 2.532 398 F HA 0.532 5.034 4.527 -0.042 0.000 0.321 398 F C -1.181 174.032 175.800 -0.979 0.000 1.089 398 F CA -0.517 56.663 58.000 -1.367 0.000 0.926 398 F CB 1.816 39.632 39.000 -1.973 0.000 1.168 398 F HN 0.519 nan 8.300 nan 0.000 0.459 399 E N 4.227 123.259 120.200 -1.947 0.000 2.278 399 E HA 0.689 5.014 4.350 -0.041 0.000 0.272 399 E C -1.945 173.789 176.600 -1.443 0.000 0.890 399 E CA -0.956 54.694 56.400 -1.250 0.000 0.770 399 E CB 1.773 31.149 29.700 -0.539 0.000 1.212 399 E HN 0.877 nan 8.360 nan 0.000 0.415 400 A N 4.440 126.656 122.820 -1.007 0.000 2.317 400 A HA 0.576 4.871 4.320 -0.041 0.000 0.327 400 A C -0.826 176.508 177.584 -0.417 0.000 1.178 400 A CA -0.720 50.843 52.037 -0.791 0.000 0.817 400 A CB 0.893 19.302 19.000 -0.984 0.000 1.189 400 A HN 0.553 nan 8.150 nan 0.000 0.489 401 K N 1.673 121.903 120.400 -0.282 0.000 2.425 401 K HA 0.564 4.859 4.320 -0.041 0.000 0.259 401 K C -0.642 175.930 176.600 -0.048 0.000 0.978 401 K CA -0.299 55.910 56.287 -0.130 0.000 0.883 401 K CB 2.099 34.576 32.500 -0.039 0.000 1.110 401 K HN 0.739 nan 8.250 nan 0.000 0.436 402 A N 2.519 125.328 122.820 -0.019 0.000 2.274 402 A HA 0.573 4.868 4.320 -0.041 0.000 0.309 402 A C -0.011 177.528 177.584 -0.074 0.000 1.226 402 A CA -0.178 51.834 52.037 -0.041 0.000 0.853 402 A CB 1.257 20.188 19.000 -0.114 0.000 1.146 402 A HN 0.694 nan 8.150 nan 0.000 0.518 403 T N 0.750 115.244 114.554 -0.101 0.000 2.606 403 T HA 0.771 5.096 4.350 -0.041 0.000 0.289 403 T C 0.409 175.032 174.700 -0.127 0.000 1.113 403 T CA 1.072 63.136 62.100 -0.059 0.000 1.106 403 T CB 0.529 69.415 68.868 0.029 0.000 1.611 403 T HN 2.659 nan 8.240 nan 0.000 0.471 404 G N -0.092 108.629 108.800 -0.131 0.000 2.445 404 G HA2 0.012 3.948 3.960 -0.041 0.000 0.212 404 G HA3 0.012 3.948 3.960 -0.041 0.000 0.212 404 G C -1.150 173.630 174.900 -0.201 0.000 1.217 404 G CA -0.183 44.806 45.100 -0.186 0.000 1.002 404 G HN 1.392 nan 8.290 nan 0.000 0.574 405 V N 1.225 120.983 119.914 -0.259 0.000 2.555 405 V HA 0.630 4.725 4.120 -0.041 0.000 0.302 405 V C 1.088 177.086 176.094 -0.161 0.000 1.038 405 V CA -0.145 62.023 62.300 -0.220 0.000 0.887 405 V CB 1.228 32.834 31.823 -0.362 0.000 0.991 405 V HN 1.680 nan 8.190 nan 0.000 0.434 406 V N 1.994 121.964 119.914 0.093 0.000 2.843 406 V HA 0.361 4.456 4.120 -0.041 0.000 0.305 406 V C -0.133 176.014 176.094 0.088 0.000 1.065 406 V CA -0.264 62.130 62.300 0.157 0.000 1.116 406 V CB 0.223 32.207 31.823 0.268 0.000 0.968 406 V HN 0.619 nan 8.190 nan 0.000 0.487 407 F N 4.454 124.382 119.950 -0.036 0.000 2.456 407 F HA 0.522 5.027 4.527 -0.036 0.000 0.358 407 F C 0.973 176.847 175.800 0.124 0.000 1.095 407 F CA 0.543 58.531 58.000 -0.019 0.000 1.216 407 F CB 0.914 39.849 39.000 -0.108 0.000 1.125 407 F HN 1.015 nan 8.300 nan 0.000 0.549 408 T N 1.591 116.147 114.554 0.005 0.000 2.938 408 T HA 0.848 5.173 4.350 -0.041 0.000 0.285 408 T C -0.277 174.482 174.700 0.099 0.000 1.028 408 T CA -0.203 61.959 62.100 0.103 0.000 1.005 408 T CB 1.608 70.519 68.868 0.073 0.000 1.157 408 T HN 0.765 nan 8.240 nan 0.000 0.550 409 S N -0.583 115.131 115.700 0.023 0.000 2.757 409 S HA 0.775 5.221 4.470 -0.041 0.000 0.285 409 S C -0.683 173.872 174.600 -0.074 0.000 1.196 409 S CA -0.769 57.394 58.200 -0.062 0.000 0.856 409 S CB 0.735 63.900 63.200 -0.059 0.000 1.212 409 S HN 1.452 nan 8.310 nan 0.000 0.516 410 A N 0.398 123.133 122.820 -0.141 0.000 2.302 410 A HA 0.726 5.022 4.320 -0.041 0.000 0.285 410 A C -0.872 176.734 177.584 0.038 0.000 1.105 410 A CA -0.455 51.557 52.037 -0.041 0.000 0.816 410 A CB -0.019 18.955 19.000 -0.043 0.000 1.067 410 A HN 1.011 nan 8.150 nan 0.000 0.489 411 F N 2.666 122.605 119.950 -0.020 0.000 2.391 411 F HA 0.522 5.021 4.527 -0.045 0.000 0.359 411 F C -2.137 173.695 175.800 0.053 0.000 1.122 411 F CA -2.562 55.432 58.000 -0.010 0.000 1.120 411 F CB 0.892 39.877 39.000 -0.025 0.000 1.142 411 F HN 0.309 nan 8.300 nan 0.000 0.483 412 P HA -0.048 nan 4.420 nan 0.000 0.265 412 P C -0.899 176.228 177.300 -0.288 0.000 1.187 412 P CA 0.000 62.946 63.100 -0.257 0.000 0.766 412 P CB 0.429 31.967 31.700 -0.270 0.000 0.820 413 E N 1.828 121.964 120.200 -0.106 0.000 2.324 413 E HA 0.279 4.604 4.350 -0.041 0.000 0.271 413 E C 0.906 177.453 176.600 -0.087 0.000 1.028 413 E CA 0.422 56.786 56.400 -0.060 0.000 0.890 413 E CB -0.509 29.161 29.700 -0.049 0.000 1.004 413 E HN 0.739 nan 8.360 nan 0.000 0.431 414 G N 2.784 111.553 108.800 -0.052 0.000 2.195 414 G HA2 -0.139 3.796 3.960 -0.041 0.000 0.224 414 G HA3 -0.139 3.796 3.960 -0.041 0.000 0.224 414 G C 0.621 175.483 174.900 -0.065 0.000 0.990 414 G CA -0.144 44.929 45.100 -0.045 0.000 0.639 414 G HN 1.509 nan 8.290 nan 0.000 0.514 415 G N -1.497 107.196 108.800 -0.179 0.000 2.660 415 G HA2 0.440 4.375 3.960 -0.041 0.000 0.247 415 G HA3 0.440 4.375 3.960 -0.041 0.000 0.247 415 G C -0.174 174.508 174.900 -0.364 0.000 1.328 415 G CA 0.984 45.945 45.100 -0.232 0.000 0.884 415 G HN 2.278 nan 8.290 nan 0.000 0.531 416 S N -1.473 114.110 115.700 -0.195 0.000 2.552 416 S HA 0.600 5.045 4.470 -0.041 0.000 0.272 416 S C -0.613 173.961 174.600 -0.043 0.000 1.150 416 S CA 0.454 58.553 58.200 -0.169 0.000 0.849 416 S CB 1.742 64.767 63.200 -0.292 0.000 1.113 416 S HN 0.650 nan 8.310 nan 0.000 0.458 417 D N 2.174 122.545 120.400 -0.049 0.000 2.369 417 D HA 0.230 4.845 4.640 -0.041 0.000 0.211 417 D C 0.213 176.504 176.300 -0.014 0.000 1.077 417 D CA 0.336 54.357 54.000 0.036 0.000 0.842 417 D CB 0.073 40.906 40.800 0.055 0.000 0.947 417 D HN 0.595 nan 8.370 nan 0.000 0.509 418 N N -0.305 118.203 118.700 -0.320 0.000 2.143 418 N HA 0.137 4.853 4.740 -0.041 0.000 0.229 418 N C -0.516 174.232 175.510 -1.270 0.000 1.294 418 N CA -0.074 52.571 53.050 -0.675 0.000 0.883 418 N CB 1.735 40.094 38.487 -0.214 0.000 1.148 418 N HN -0.063 nan 8.380 nan 0.000 0.511 419 I N 0.541 120.508 120.570 -1.005 0.000 2.722 419 I HA 0.350 4.496 4.170 -0.041 0.000 0.295 419 I C -0.378 175.722 176.117 -0.029 0.000 1.161 419 I CA -0.939 60.069 61.300 -0.486 0.000 1.032 419 I CB 1.773 39.704 38.000 -0.114 0.000 1.244 419 I HN -0.050 nan 8.210 nan 0.000 0.421 420 S N 3.989 119.821 115.700 0.220 0.000 2.578 420 S HA 0.598 5.043 4.470 -0.041 0.000 0.301 420 S C -0.573 174.023 174.600 -0.007 0.000 1.091 420 S CA -0.768 57.592 58.200 0.266 0.000 1.032 420 S CB 2.523 65.947 63.200 0.374 0.000 1.064 420 S HN 0.633 nan 8.310 nan 0.000 0.508 421 Q N 1.178 120.708 119.800 -0.450 0.000 2.274 421 Q HA 0.427 4.742 4.340 -0.041 0.000 0.256 421 Q C -0.141 175.661 176.000 -0.330 0.000 0.927 421 Q CA -0.503 54.866 55.803 -0.722 0.000 0.939 421 Q CB 0.685 28.591 28.738 -1.387 0.000 1.201 421 Q HN 0.858 nan 8.270 nan 0.000 0.426 422 L N 1.902 122.959 121.223 -0.276 0.000 2.609 422 L HA 0.524 4.840 4.340 -0.041 0.000 0.230 422 L C 0.316 177.044 176.870 -0.238 0.000 1.087 422 L CA 0.036 54.750 54.840 -0.210 0.000 0.874 422 L CB 0.604 42.515 42.059 -0.246 0.000 1.114 422 L HN 0.621 nan 8.230 nan 0.000 0.488 423 A N -0.671 121.974 122.820 -0.291 0.000 2.599 423 A HA 0.637 4.933 4.320 -0.041 0.000 0.290 423 A C -2.754 174.746 177.584 -0.140 0.000 1.101 423 A CA -0.980 50.945 52.037 -0.187 0.000 0.674 423 A CB 0.563 19.416 19.000 -0.246 0.000 1.277 423 A HN -0.223 nan 8.150 nan 0.000 0.419 424 P HA 0.275 nan 4.420 nan 0.000 0.258 424 P C 1.035 178.337 177.300 0.004 0.000 1.187 424 P CA 2.368 65.456 63.100 -0.019 0.000 0.767 424 P CB 0.315 32.022 31.700 0.011 0.000 0.770 425 G N 2.372 111.201 108.800 0.048 0.000 2.189 425 G HA2 -0.285 3.650 3.960 -0.041 0.000 0.267 425 G HA3 -0.285 3.650 3.960 -0.041 0.000 0.267 425 G C -0.115 174.836 174.900 0.084 0.000 0.975 425 G CA -0.070 45.095 45.100 0.109 0.000 0.644 425 G HN 0.565 nan 8.290 nan 0.000 0.537 426 L N 1.714 122.921 121.223 -0.027 0.000 2.275 426 L HA 0.782 5.097 4.340 -0.041 0.000 0.288 426 L C 0.697 177.513 176.870 -0.091 0.000 1.046 426 L CA 0.167 54.932 54.840 -0.124 0.000 0.805 426 L CB 1.144 42.989 42.059 -0.356 0.000 1.193 426 L HN 0.378 nan 8.230 nan 0.000 0.426 427 G N 3.396 112.196 108.800 0.001 0.000 2.489 427 G HA2 0.764 4.699 3.960 -0.041 0.000 0.327 427 G HA3 0.764 4.699 3.960 -0.041 0.000 0.327 427 G C -1.612 173.307 174.900 0.032 0.000 1.189 427 G CA -0.346 44.813 45.100 0.098 0.000 0.962 427 G HN 0.945 nan 8.290 nan 0.000 0.486 428 A N 1.557 124.433 122.820 0.094 0.000 2.522 428 A HA 0.748 5.043 4.320 -0.041 0.000 0.285 428 A C -2.812 174.901 177.584 0.214 0.000 1.198 428 A CA -1.331 50.794 52.037 0.147 0.000 0.742 428 A CB 1.563 20.641 19.000 0.130 0.000 1.176 428 A HN 0.401 nan 8.150 nan 0.000 0.444 429 P HA 0.162 nan 4.420 nan 0.000 0.265 429 P C -0.366 177.192 177.300 0.430 0.000 1.193 429 P CA 0.280 63.518 63.100 0.230 0.000 0.765 429 P CB 0.151 32.023 31.700 0.286 0.000 0.823 430 F N 3.809 123.862 119.950 0.172 0.000 2.553 430 F HA 0.200 4.703 4.527 -0.039 0.000 0.356 430 F C 1.645 177.378 175.800 -0.112 0.000 1.142 430 F CA 0.518 58.516 58.000 -0.003 0.000 1.322 430 F CB -0.481 38.540 39.000 0.035 0.000 1.126 430 F HN 0.500 nan 8.300 nan 0.000 0.599 431 H N -0.167 118.749 119.070 -0.257 0.000 2.932 431 H HA 0.492 5.024 4.556 -0.041 0.000 0.307 431 H C -1.819 173.216 175.328 -0.489 0.000 1.391 431 H CA -1.121 54.585 56.048 -0.570 0.000 1.130 431 H CB 1.317 30.321 29.762 -1.264 0.000 1.836 431 H HN 0.590 nan 8.280 nan 0.000 0.522 432 Q N 0.117 119.625 119.800 -0.486 0.000 2.458 432 Q HA 0.392 4.707 4.340 -0.041 0.000 0.282 432 Q C -1.071 174.662 176.000 -0.445 0.000 1.106 432 Q CA -1.013 54.549 55.803 -0.402 0.000 0.814 432 Q CB 2.911 31.479 28.738 -0.284 0.000 1.425 432 Q HN 0.534 nan 8.270 nan 0.000 0.437 433 H N 1.272 120.273 119.070 -0.115 0.000 2.887 433 H HA 0.437 4.968 4.556 -0.042 0.000 0.300 433 H C -0.920 174.251 175.328 -0.262 0.000 1.038 433 H CA -0.212 55.727 56.048 -0.181 0.000 1.352 433 H CB 0.676 30.445 29.762 0.011 0.000 1.473 433 H HN 0.445 nan 8.280 nan 0.000 0.503 434 I N 4.120 124.487 120.570 -0.337 0.000 2.389 434 I HA 0.228 4.373 4.170 -0.041 0.000 0.288 434 I C -0.484 175.401 176.117 -0.387 0.000 0.999 434 I CA -0.588 60.556 61.300 -0.261 0.000 1.129 434 I CB 0.927 38.786 38.000 -0.235 0.000 1.288 434 I HN 0.179 nan 8.210 nan 0.000 0.444 435 F N 3.209 122.868 119.950 -0.486 0.000 2.450 435 F HA 0.541 5.043 4.527 -0.041 0.000 0.328 435 F C 0.656 176.204 175.800 -0.420 0.000 1.068 435 F CA -0.874 56.772 58.000 -0.590 0.000 1.007 435 F CB 1.661 39.967 39.000 -1.156 0.000 1.251 435 F HN 0.264 nan 8.300 nan 0.000 0.492 436 S N 0.935 116.611 115.700 -0.040 0.000 2.707 436 S HA 0.767 5.212 4.470 -0.041 0.000 0.303 436 S C -1.010 173.664 174.600 0.124 0.000 1.132 436 S CA -0.550 57.670 58.200 0.033 0.000 1.046 436 S CB 0.516 63.548 63.200 -0.279 0.000 1.004 436 S HN 0.847 nan 8.310 nan 0.000 0.483 437 A N 4.856 127.818 122.820 0.237 0.000 2.260 437 A HA 0.618 4.913 4.320 -0.041 0.000 0.308 437 A C 0.142 177.741 177.584 0.025 0.000 1.254 437 A CA -0.661 51.480 52.037 0.172 0.000 0.874 437 A CB 0.346 19.420 19.000 0.125 0.000 1.153 437 A HN 0.844 nan 8.150 nan 0.000 0.527 438 R N 3.556 124.005 120.500 -0.085 0.000 2.207 438 R HA 0.531 4.847 4.340 -0.041 0.000 0.334 438 R C -1.545 174.553 176.300 -0.338 0.000 1.013 438 R CA -0.337 55.502 56.100 -0.435 0.000 0.858 438 R CB 0.270 30.181 30.300 -0.649 0.000 1.094 438 R HN 0.710 nan 8.270 nan 0.000 0.457 439 L N 4.485 125.500 121.223 -0.346 0.000 2.324 439 L HA 0.262 4.577 4.340 -0.041 0.000 0.274 439 L C -0.454 176.281 176.870 -0.225 0.000 1.012 439 L CA -0.896 53.821 54.840 -0.207 0.000 0.859 439 L CB 1.508 43.512 42.059 -0.091 0.000 1.224 439 L HN 0.547 nan 8.230 nan 0.000 0.429 440 D N 5.076 125.357 120.400 -0.197 0.000 2.402 440 D HA 0.161 4.776 4.640 -0.041 0.000 0.235 440 D C 0.214 176.488 176.300 -0.044 0.000 1.226 440 D CA -0.260 53.680 54.000 -0.101 0.000 0.918 440 D CB 0.598 41.362 40.800 -0.061 0.000 1.043 440 D HN 0.161 nan 8.370 nan 0.000 0.506 441 M N 2.195 121.784 119.600 -0.018 0.000 2.245 441 M HA 0.350 4.805 4.480 -0.041 0.000 0.330 441 M C 0.438 176.739 176.300 0.001 0.000 1.098 441 M CA -0.350 54.939 55.300 -0.018 0.000 1.172 441 M CB 0.719 33.322 32.600 0.005 0.000 1.467 441 M HN 0.493 nan 8.290 nan 0.000 0.454 442 A N 3.221 125.977 122.820 -0.107 0.000 3.368 442 A HA 0.368 4.663 4.320 -0.041 0.000 0.211 442 A C -0.411 177.062 177.584 -0.185 0.000 1.004 442 A CA -0.563 51.318 52.037 -0.259 0.000 1.059 442 A CB 0.089 18.768 19.000 -0.535 0.000 1.298 442 A HN 0.607 nan 8.150 nan 0.000 0.613 443 I N 1.671 122.198 120.570 -0.072 0.000 2.691 443 I HA 0.043 4.188 4.170 -0.041 0.000 0.288 443 I C 0.409 176.570 176.117 0.073 0.000 1.143 443 I CA 0.879 62.200 61.300 0.035 0.000 1.364 443 I CB -0.926 37.136 38.000 0.104 0.000 1.435 443 I HN 0.487 nan 8.210 nan 0.000 0.551 444 D N 4.983 125.449 120.400 0.109 0.000 2.911 444 D HA -0.165 4.450 4.640 -0.041 0.000 0.227 444 D C 0.635 176.895 176.300 -0.066 0.000 1.164 444 D CA 1.680 55.693 54.000 0.022 0.000 0.782 444 D CB -0.726 40.062 40.800 -0.020 0.000 1.094 444 D HN 1.099 nan 8.370 nan 0.000 0.425 445 G N -2.333 106.371 108.800 -0.160 0.000 2.354 445 G HA2 -0.016 3.919 3.960 -0.041 0.000 0.582 445 G HA3 -0.016 3.919 3.960 -0.041 0.000 0.582 445 G C 0.168 174.900 174.900 -0.279 0.000 1.316 445 G CA -0.389 44.562 45.100 -0.248 0.000 0.995 445 G HN 0.009 nan 8.290 nan 0.000 0.573 446 F N 0.691 120.630 119.950 -0.018 0.000 2.710 446 F HA 0.216 4.718 4.527 -0.041 0.000 0.298 446 F C 2.289 178.086 175.800 -0.006 0.000 1.137 446 F CA 1.173 59.156 58.000 -0.029 0.000 1.444 446 F CB 0.278 39.245 39.000 -0.056 0.000 1.111 446 F HN 0.282 nan 8.300 nan 0.000 0.580 447 T N 2.885 117.527 114.554 0.148 0.000 2.978 447 T HA 0.135 4.460 4.350 -0.041 0.000 0.278 447 T C -0.051 174.699 174.700 0.084 0.000 0.945 447 T CA -0.065 62.099 62.100 0.105 0.000 1.070 447 T CB -0.578 68.334 68.868 0.073 0.000 0.948 447 T HN 0.009 nan 8.240 nan 0.000 0.617 448 N N 2.797 121.555 118.700 0.096 0.000 2.453 448 N HA 0.696 5.411 4.740 -0.041 0.000 0.290 448 N C -0.217 175.345 175.510 0.086 0.000 1.250 448 N CA -1.007 52.094 53.050 0.086 0.000 0.815 448 N CB 2.065 40.604 38.487 0.087 0.000 1.381 448 N HN 0.596 nan 8.380 nan 0.000 0.510 449 R N -1.706 118.845 120.500 0.085 0.000 2.710 449 R HA 0.746 5.061 4.340 -0.041 0.000 0.270 449 R C -1.827 174.532 176.300 0.098 0.000 1.021 449 R CA -0.852 55.301 56.100 0.087 0.000 0.889 449 R CB 0.702 31.047 30.300 0.075 0.000 1.243 449 R HN 0.186 nan 8.270 nan 0.000 0.464 450 V N 1.100 121.079 119.914 0.108 0.000 2.604 450 V HA 0.438 4.533 4.120 -0.041 0.000 0.305 450 V C -0.558 175.621 176.094 0.142 0.000 1.043 450 V CA -0.714 61.668 62.300 0.135 0.000 0.888 450 V CB 1.826 33.736 31.823 0.145 0.000 0.995 450 V HN 0.768 nan 8.190 nan 0.000 0.429 451 E N 2.261 122.552 120.200 0.152 0.000 2.222 451 E HA 0.430 4.756 4.350 -0.041 0.000 0.267 451 E C -0.981 175.702 176.600 0.139 0.000 0.884 451 E CA -0.659 55.814 56.400 0.122 0.000 0.764 451 E CB 2.838 32.579 29.700 0.068 0.000 1.169 451 E HN 0.730 nan 8.360 nan 0.000 0.413 452 E N 2.671 122.937 120.200 0.110 0.000 2.167 452 E HA 0.073 4.399 4.350 -0.041 0.000 0.284 452 E C -0.993 175.524 176.600 -0.138 0.000 1.016 452 E CA -0.265 56.110 56.400 -0.040 0.000 0.817 452 E CB 0.914 30.655 29.700 0.070 0.000 1.080 452 E HN 0.410 nan 8.360 nan 0.000 0.397 453 E N 4.380 124.421 120.200 -0.264 0.000 2.145 453 E HA 0.186 4.511 4.350 -0.041 0.000 0.270 453 E C -1.271 175.201 176.600 -0.213 0.000 0.906 453 E CA -0.802 55.489 56.400 -0.182 0.000 0.761 453 E CB 0.947 30.561 29.700 -0.145 0.000 1.116 453 E HN 0.414 nan 8.360 nan 0.000 0.408 454 D N 2.542 122.864 120.400 -0.130 0.000 2.342 454 D HA 0.269 4.884 4.640 -0.041 0.000 0.243 454 D C -0.499 175.769 176.300 -0.055 0.000 1.019 454 D CA -0.557 53.377 54.000 -0.110 0.000 0.864 454 D CB 2.171 42.922 40.800 -0.082 0.000 1.315 454 D HN 0.164 nan 8.370 nan 0.000 0.468 455 V N 1.292 121.178 119.914 -0.047 0.000 2.811 455 V HA 0.224 4.319 4.120 -0.041 0.000 0.302 455 V C 0.148 176.247 176.094 0.008 0.000 1.063 455 V CA -0.251 62.046 62.300 -0.004 0.000 1.088 455 V CB 1.511 33.308 31.823 -0.044 0.000 0.982 455 V HN 0.262 nan 8.190 nan 0.000 0.485 456 V N 6.035 125.983 119.914 0.057 0.000 2.407 456 V HA 0.435 4.531 4.120 -0.041 0.000 0.291 456 V C 0.204 176.348 176.094 0.083 0.000 1.018 456 V CA -0.784 61.546 62.300 0.050 0.000 0.842 456 V CB 1.549 33.398 31.823 0.044 0.000 0.996 456 V HN 0.818 nan 8.190 nan 0.000 0.426 457 R N 3.468 123.997 120.500 0.049 0.000 2.531 457 R HA 0.571 4.886 4.340 -0.041 0.000 0.273 457 R C -0.534 175.801 176.300 0.059 0.000 1.070 457 R CA -0.463 55.672 56.100 0.060 0.000 1.112 457 R CB 1.046 31.357 30.300 0.019 0.000 1.049 457 R HN 0.664 nan 8.270 nan 0.000 0.508 458 Q N 0.299 120.141 119.800 0.070 0.000 2.377 458 Q HA 0.305 4.620 4.340 -0.041 0.000 0.271 458 Q C -0.874 175.149 176.000 0.037 0.000 1.077 458 Q CA -0.718 55.114 55.803 0.048 0.000 0.820 458 Q CB 2.671 31.439 28.738 0.049 0.000 1.347 458 Q HN 0.470 nan 8.270 nan 0.000 0.444 459 T N 1.906 116.475 114.554 0.025 0.000 2.889 459 T HA 0.268 4.594 4.350 -0.041 0.000 0.291 459 T C 0.055 174.765 174.700 0.018 0.000 0.995 459 T CA -0.472 61.639 62.100 0.019 0.000 1.092 459 T CB 0.559 69.435 68.868 0.013 0.000 0.954 459 T HN 0.475 nan 8.240 nan 0.000 0.506 460 M N 3.020 122.630 119.600 0.016 0.000 2.252 460 M HA 0.424 4.880 4.480 -0.041 0.000 0.348 460 M C 0.503 176.809 176.300 0.010 0.000 1.334 460 M CA 0.931 56.239 55.300 0.014 0.000 1.071 460 M CB -0.536 32.072 32.600 0.013 0.000 1.763 460 M HN 0.942 nan 8.290 nan 0.000 0.452 461 G N 4.640 113.445 108.800 0.008 0.000 2.367 461 G HA2 0.205 4.140 3.960 -0.041 0.000 0.272 461 G HA3 0.205 4.140 3.960 -0.041 0.000 0.272 461 G C -3.385 171.518 174.900 0.004 0.000 1.271 461 G CA -1.099 44.005 45.100 0.005 0.000 0.893 461 G HN 0.414 nan 8.290 nan 0.000 0.485 462 P HA 0.326 nan 4.420 nan 0.000 0.261 462 P C 0.949 178.249 177.300 -0.001 0.000 1.183 462 P CA 2.304 65.405 63.100 0.001 0.000 0.761 462 P CB 0.712 32.412 31.700 0.000 0.000 0.785 463 G N 2.896 111.694 108.800 -0.002 0.000 2.199 463 G HA2 -0.267 3.668 3.960 -0.041 0.000 0.254 463 G HA3 -0.267 3.668 3.960 -0.041 0.000 0.254 463 G C 0.496 175.392 174.900 -0.006 0.000 0.982 463 G CA 0.289 45.386 45.100 -0.005 0.000 0.632 463 G HN 0.656 nan 8.290 nan 0.000 0.529 464 N N -0.064 118.635 118.700 -0.001 0.000 2.605 464 N HA 0.323 5.039 4.740 -0.041 0.000 0.265 464 N C 0.979 176.492 175.510 0.005 0.000 1.625 464 N CA 0.477 53.528 53.050 0.001 0.000 0.862 464 N CB 0.398 38.889 38.487 0.006 0.000 1.415 464 N HN 0.103 nan 8.380 nan 0.000 0.513 465 E N 0.167 120.368 120.200 0.003 0.000 2.130 465 E HA -0.066 4.259 4.350 -0.041 0.000 0.196 465 E C 1.174 177.778 176.600 0.006 0.000 0.998 465 E CA 1.313 57.715 56.400 0.004 0.000 0.806 465 E CB 0.080 29.781 29.700 0.002 0.000 0.738 465 E HN 0.403 nan 8.360 nan 0.000 0.459 466 R N -0.897 119.607 120.500 0.007 0.000 2.310 466 R HA 0.153 4.468 4.340 -0.041 0.000 0.202 466 R C 0.787 177.097 176.300 0.016 0.000 0.933 466 R CA 0.502 56.608 56.100 0.010 0.000 1.054 466 R CB 0.301 30.607 30.300 0.010 0.000 0.985 466 R HN 0.246 nan 8.270 nan 0.000 0.489 467 G N 2.326 111.137 108.800 0.018 0.000 2.249 467 G HA2 -0.301 3.634 3.960 -0.041 0.000 0.273 467 G HA3 -0.301 3.634 3.960 -0.041 0.000 0.273 467 G C 0.440 175.365 174.900 0.042 0.000 1.036 467 G CA 0.742 45.858 45.100 0.027 0.000 0.824 467 G HN 0.578 nan 8.290 nan 0.000 0.504 468 N N -0.508 118.219 118.700 0.044 0.000 2.322 468 N HA 0.364 5.079 4.740 -0.041 0.000 0.181 468 N C 1.125 176.695 175.510 0.099 0.000 1.088 468 N CA 0.709 53.801 53.050 0.070 0.000 0.885 468 N CB 0.037 38.552 38.487 0.047 0.000 1.013 468 N HN 0.964 nan 8.380 nan 0.000 0.472 469 A N 0.974 123.826 122.820 0.053 0.000 2.483 469 A HA 0.446 4.742 4.320 -0.041 0.000 0.238 469 A C -0.447 177.218 177.584 0.136 0.000 1.070 469 A CA -0.190 51.858 52.037 0.018 0.000 0.770 469 A CB -0.354 18.637 19.000 -0.015 0.000 1.008 469 A HN 0.474 nan 8.150 nan 0.000 0.497 470 F N 0.024 119.969 119.950 -0.008 0.000 2.654 470 F HA 0.789 5.292 4.527 -0.041 0.000 0.308 470 F C -0.328 175.465 175.800 -0.012 0.000 1.108 470 F CA -0.408 57.586 58.000 -0.010 0.000 0.957 470 F CB 0.922 39.916 39.000 -0.011 0.000 1.309 470 F HN 0.616 nan 8.300 nan 0.000 0.446 471 S N 1.139 116.976 115.700 0.228 0.000 3.331 471 S HA 0.865 5.310 4.470 -0.041 0.000 0.316 471 S C -1.469 173.220 174.600 0.149 0.000 1.104 471 S CA -0.704 57.553 58.200 0.095 0.000 0.977 471 S CB 1.448 64.663 63.200 0.026 0.000 1.370 471 S HN 1.149 nan 8.310 nan 0.000 0.731 472 R N 0.527 121.068 120.500 0.067 0.000 2.692 472 R HA 0.596 4.911 4.340 -0.041 0.000 0.269 472 R C -2.042 174.267 176.300 0.015 0.000 1.030 472 R CA -0.923 55.204 56.100 0.045 0.000 0.882 472 R CB 1.208 31.532 30.300 0.041 0.000 1.250 472 R HN 0.719 nan 8.270 nan 0.000 0.465 473 K N 1.474 121.873 120.400 -0.001 0.000 2.477 473 K HA 0.597 4.892 4.320 -0.041 0.000 0.255 473 K C -1.171 175.418 176.600 -0.017 0.000 0.952 473 K CA -1.155 55.129 56.287 -0.006 0.000 0.826 473 K CB 2.806 35.304 32.500 -0.003 0.000 1.331 473 K HN 0.626 nan 8.250 nan 0.000 0.437 474 R N 0.990 121.485 120.500 -0.008 0.000 2.561 474 R HA 0.385 4.701 4.340 -0.041 0.000 0.297 474 R C -1.177 175.129 176.300 0.009 0.000 0.969 474 R CA -0.918 55.178 56.100 -0.006 0.000 0.879 474 R CB 2.585 32.886 30.300 0.001 0.000 1.178 474 R HN 0.673 nan 8.270 nan 0.000 0.445 475 T N 2.217 116.782 114.554 0.018 0.000 2.809 475 T HA 0.234 4.559 4.350 -0.041 0.000 0.284 475 T C -0.049 174.684 174.700 0.056 0.000 0.992 475 T CA -0.588 61.532 62.100 0.034 0.000 0.957 475 T CB 1.630 70.519 68.868 0.035 0.000 0.942 475 T HN 0.136 nan 8.240 nan 0.000 0.439 476 V N 5.040 124.985 119.914 0.052 0.000 2.614 476 V HA 0.237 4.332 4.120 -0.041 0.000 0.291 476 V C 0.325 176.461 176.094 0.070 0.000 1.049 476 V CA -0.521 61.818 62.300 0.064 0.000 1.038 476 V CB 0.567 32.422 31.823 0.053 0.000 0.980 476 V HN 0.711 nan 8.190 nan 0.000 0.481 477 L N 5.432 126.707 121.223 0.086 0.000 2.261 477 L HA 0.285 4.600 4.340 -0.041 0.000 0.289 477 L C 1.426 178.339 176.870 0.072 0.000 1.059 477 L CA -0.149 54.740 54.840 0.082 0.000 0.816 477 L CB 1.020 43.138 42.059 0.099 0.000 1.191 477 L HN 0.905 nan 8.230 nan 0.000 0.431 478 T N -0.606 113.984 114.554 0.059 0.000 3.044 478 T HA 0.186 4.511 4.350 -0.041 0.000 0.255 478 T C 0.952 175.685 174.700 0.055 0.000 1.073 478 T CA 0.045 62.177 62.100 0.054 0.000 1.125 478 T CB 0.370 69.265 68.868 0.044 0.000 0.908 478 T HN 0.341 nan 8.240 nan 0.000 0.480 479 R N 0.534 121.066 120.500 0.054 0.000 2.771 479 R HA 0.426 4.741 4.340 -0.041 0.000 0.274 479 R C 0.496 176.833 176.300 0.062 0.000 0.987 479 R CA -0.530 55.603 56.100 0.054 0.000 0.908 479 R CB 1.629 31.955 30.300 0.043 0.000 1.213 479 R HN 0.214 nan 8.270 nan 0.000 0.468 480 E N 0.396 120.639 120.200 0.071 0.000 2.160 480 E HA -0.177 4.148 4.350 -0.041 0.000 0.195 480 E C 1.379 178.019 176.600 0.067 0.000 0.991 480 E CA 1.932 58.384 56.400 0.087 0.000 0.810 480 E CB 0.138 29.899 29.700 0.102 0.000 0.742 480 E HN 0.623 nan 8.360 nan 0.000 0.466 481 S N 1.182 116.912 115.700 0.050 0.000 2.469 481 S HA -0.188 4.257 4.470 -0.041 0.000 0.238 481 S C 1.541 176.149 174.600 0.015 0.000 0.998 481 S CA 1.368 59.588 58.200 0.033 0.000 0.957 481 S CB -0.334 62.882 63.200 0.028 0.000 0.764 481 S HN 0.470 nan 8.310 nan 0.000 0.514 482 E N 0.122 120.335 120.200 0.021 0.000 2.624 482 E HA 0.542 4.867 4.350 -0.041 0.000 0.210 482 E C 0.712 177.318 176.600 0.010 0.000 0.997 482 E CA 0.145 56.552 56.400 0.011 0.000 0.999 482 E CB 0.442 30.157 29.700 0.024 0.000 1.040 482 E HN 0.474 nan 8.360 nan 0.000 0.469 483 A N 1.060 123.885 122.820 0.009 0.000 2.610 483 A HA 0.342 4.638 4.320 -0.041 0.000 0.286 483 A C 0.043 177.576 177.584 -0.085 0.000 1.306 483 A CA -0.271 51.772 52.037 0.010 0.000 0.942 483 A CB 0.262 19.306 19.000 0.074 0.000 1.112 483 A HN 0.113 nan 8.150 nan 0.000 0.527 484 V N 2.695 122.486 119.914 -0.205 0.000 2.293 484 V HA 0.390 4.485 4.120 -0.041 0.000 0.275 484 V C -0.487 175.377 176.094 -0.383 0.000 1.021 484 V CA -0.727 61.255 62.300 -0.531 0.000 0.815 484 V CB 0.593 32.013 31.823 -0.672 0.000 1.025 484 V HN 0.494 nan 8.190 nan 0.000 0.448 485 R N 3.320 123.610 120.500 -0.350 0.000 2.732 485 R HA 0.660 4.975 4.340 -0.041 0.000 0.278 485 R C -0.137 176.113 176.300 -0.084 0.000 0.976 485 R CA -0.698 55.331 56.100 -0.118 0.000 0.963 485 R CB 2.097 32.444 30.300 0.080 0.000 1.150 485 R HN 0.876 nan 8.270 nan 0.000 0.478 486 E N 0.401 120.653 120.200 0.087 0.000 2.235 486 E HA 0.709 5.034 4.350 -0.041 0.000 0.265 486 E C -0.798 175.996 176.600 0.324 0.000 0.940 486 E CA -1.113 55.364 56.400 0.129 0.000 0.819 486 E CB 1.667 31.404 29.700 0.062 0.000 1.206 486 E HN 0.539 nan 8.360 nan 0.000 0.409 487 A N 1.247 124.260 122.820 0.322 0.000 2.313 487 A HA 0.288 4.583 4.320 -0.041 0.000 0.261 487 A C -0.287 177.398 177.584 0.169 0.000 1.090 487 A CA -0.172 52.081 52.037 0.360 0.000 0.807 487 A CB 0.415 19.617 19.000 0.337 0.000 1.055 487 A HN 0.717 nan 8.150 nan 0.000 0.492 488 D N -0.198 120.253 120.400 0.085 0.000 2.584 488 D HA 0.399 5.014 4.640 -0.041 0.000 0.238 488 D C 0.681 176.981 176.300 0.001 0.000 1.302 488 D CA 0.289 54.306 54.000 0.030 0.000 0.884 488 D CB 0.698 41.497 40.800 -0.003 0.000 1.456 488 D HN 0.478 nan 8.370 nan 0.000 0.528 489 A N 2.864 125.703 122.820 0.031 0.000 1.940 489 A HA -0.176 4.119 4.320 -0.041 0.000 0.219 489 A C 2.064 179.644 177.584 -0.007 0.000 1.176 489 A CA 1.444 53.494 52.037 0.021 0.000 0.631 489 A CB -0.248 18.779 19.000 0.045 0.000 0.814 489 A HN 0.506 nan 8.150 nan 0.000 0.446 490 R N -0.136 120.359 120.500 -0.007 0.000 2.127 490 R HA -0.132 4.183 4.340 -0.041 0.000 0.238 490 R C 1.560 177.835 176.300 -0.041 0.000 1.134 490 R CA 1.940 58.027 56.100 -0.022 0.000 0.975 490 R CB -0.355 29.937 30.300 -0.014 0.000 0.865 490 R HN 0.606 nan 8.270 nan 0.000 0.447 491 T N -3.368 111.159 114.554 -0.045 0.000 3.186 491 T HA 0.240 4.565 4.350 -0.041 0.000 0.257 491 T C 0.831 175.483 174.700 -0.080 0.000 1.029 491 T CA 0.156 62.219 62.100 -0.061 0.000 0.916 491 T CB 0.716 69.550 68.868 -0.056 0.000 1.041 491 T HN 0.354 nan 8.240 nan 0.000 0.562 492 G N 2.457 111.214 108.800 -0.072 0.000 2.390 492 G HA2 -0.346 3.590 3.960 -0.041 0.000 0.299 492 G HA3 -0.346 3.590 3.960 -0.041 0.000 0.299 492 G C 0.031 174.848 174.900 -0.138 0.000 1.002 492 G CA 0.271 45.326 45.100 -0.075 0.000 0.979 492 G HN 0.912 nan 8.290 nan 0.000 0.513 493 R N 0.456 120.836 120.500 -0.200 0.000 2.489 493 R HA 0.450 4.766 4.340 -0.041 0.000 0.287 493 R C 0.848 176.768 176.300 -0.633 0.000 1.053 493 R CA 0.874 56.731 56.100 -0.404 0.000 1.036 493 R CB 0.284 30.332 30.300 -0.421 0.000 0.966 493 R HN 0.457 nan 8.270 nan 0.000 0.432 494 T N 0.572 114.664 114.554 -0.770 0.000 2.838 494 T HA 0.534 4.859 4.350 -0.041 0.000 0.292 494 T C -1.031 173.128 174.700 -0.902 0.000 1.113 494 T CA -0.958 60.689 62.100 -0.755 0.000 1.008 494 T CB 1.249 69.849 68.868 -0.447 0.000 1.259 494 T HN 0.562 nan 8.240 nan 0.000 0.520 495 W N 0.590 121.828 121.300 -0.103 0.000 2.839 495 W HA 0.593 5.228 4.660 -0.041 0.000 0.334 495 W C -1.151 175.340 176.519 -0.047 0.000 1.064 495 W CA -1.165 56.147 57.345 -0.054 0.000 1.236 495 W CB 1.658 31.096 29.460 -0.036 0.000 1.405 495 W HN 0.581 nan 8.180 nan 0.000 0.478 496 I N 4.394 125.055 120.570 0.152 0.000 2.354 496 I HA 0.287 4.432 4.170 -0.041 0.000 0.292 496 I C -0.354 175.846 176.117 0.139 0.000 0.989 496 I CA -0.975 60.392 61.300 0.112 0.000 1.188 496 I CB 1.301 39.336 38.000 0.058 0.000 1.342 496 I HN 0.077 nan 8.210 nan 0.000 0.457 497 I N 6.165 126.822 120.570 0.146 0.000 2.321 497 I HA 0.303 4.448 4.170 -0.041 0.000 0.291 497 I C 0.345 176.543 176.117 0.134 0.000 0.998 497 I CA 0.312 61.691 61.300 0.131 0.000 1.227 497 I CB 1.322 39.390 38.000 0.114 0.000 1.368 497 I HN 0.600 nan 8.210 nan 0.000 0.466 498 S N 4.146 119.914 115.700 0.113 0.000 2.667 498 S HA 0.597 5.043 4.470 -0.041 0.000 0.292 498 S C -0.803 173.851 174.600 0.089 0.000 1.126 498 S CA -0.934 57.332 58.200 0.110 0.000 0.881 498 S CB 1.985 65.237 63.200 0.087 0.000 1.132 498 S HN 0.507 nan 8.310 nan 0.000 0.492 499 N N 1.791 120.538 118.700 0.078 0.000 2.518 499 N HA 0.378 5.094 4.740 -0.041 0.000 0.254 499 N C -2.020 173.511 175.510 0.036 0.000 0.979 499 N CA -2.281 50.802 53.050 0.054 0.000 0.930 499 N CB 1.685 40.197 38.487 0.042 0.000 1.152 499 N HN 0.406 nan 8.380 nan 0.000 0.505 500 P HA -0.037 nan 4.420 nan 0.000 0.230 500 P C 0.147 177.456 177.300 0.015 0.000 1.158 500 P CA 1.060 64.176 63.100 0.027 0.000 0.769 500 P CB 0.576 32.295 31.700 0.032 0.000 0.807 501 E N -0.933 119.275 120.200 0.013 0.000 2.481 501 E HA 0.118 4.443 4.350 -0.041 0.000 0.198 501 E C 0.234 176.827 176.600 -0.012 0.000 1.027 501 E CA -0.063 56.340 56.400 0.004 0.000 0.900 501 E CB 0.401 30.108 29.700 0.011 0.000 0.993 501 E HN 0.001 nan 8.360 nan 0.000 0.482 502 S N 1.076 116.764 115.700 -0.020 0.000 2.640 502 S HA 0.335 4.780 4.470 -0.041 0.000 0.320 502 S C -0.951 173.612 174.600 -0.062 0.000 1.097 502 S CA -0.722 57.448 58.200 -0.051 0.000 1.092 502 S CB 0.413 63.571 63.200 -0.069 0.000 0.988 502 S HN -0.043 nan 8.310 nan 0.000 0.470 503 K N 2.910 123.271 120.400 -0.066 0.000 2.208 503 K HA 0.436 4.732 4.320 -0.041 0.000 0.247 503 K C -0.119 176.427 176.600 -0.090 0.000 0.953 503 K CA -1.056 55.193 56.287 -0.064 0.000 0.837 503 K CB 1.017 33.493 32.500 -0.039 0.000 1.131 503 K HN 0.746 nan 8.250 nan 0.000 0.431 504 N N 0.355 119.003 118.700 -0.087 0.000 2.366 504 N HA 0.028 4.743 4.740 -0.041 0.000 0.277 504 N C 0.693 176.169 175.510 -0.057 0.000 1.275 504 N CA -0.504 52.491 53.050 -0.092 0.000 0.964 504 N CB 0.304 38.742 38.487 -0.082 0.000 1.167 504 N HN 0.586 nan 8.380 nan 0.000 0.568 505 R N -0.697 119.776 120.500 -0.045 0.000 2.293 505 R HA 0.007 4.322 4.340 -0.041 0.000 0.219 505 R C 0.462 176.747 176.300 -0.024 0.000 1.091 505 R CA 1.100 57.181 56.100 -0.031 0.000 1.004 505 R CB -0.707 29.580 30.300 -0.022 0.000 0.865 505 R HN 0.567 nan 8.270 nan 0.000 0.469 506 L N 1.196 122.405 121.223 -0.023 0.000 2.685 506 L HA 0.155 4.470 4.340 -0.041 0.000 0.233 506 L C 0.227 177.086 176.870 -0.018 0.000 1.173 506 L CA -0.053 54.776 54.840 -0.018 0.000 0.961 506 L CB -0.648 41.402 42.059 -0.014 0.000 1.217 506 L HN 0.456 nan 8.230 nan 0.000 0.478 507 N N 1.303 119.990 118.700 -0.022 0.000 2.747 507 N HA -0.201 4.514 4.740 -0.041 0.000 0.249 507 N C 0.027 175.527 175.510 -0.017 0.000 1.107 507 N CA 0.257 53.295 53.050 -0.020 0.000 0.707 507 N CB -0.148 38.330 38.487 -0.015 0.000 1.054 507 N HN 0.371 nan 8.380 nan 0.000 0.555 508 E N 0.386 120.574 120.200 -0.021 0.000 2.199 508 E HA 0.496 4.821 4.350 -0.041 0.000 0.269 508 E C -2.634 173.956 176.600 -0.017 0.000 0.899 508 E CA -2.065 54.326 56.400 -0.014 0.000 0.772 508 E CB 1.345 31.039 29.700 -0.010 0.000 1.155 508 E HN 0.026 nan 8.360 nan 0.000 0.408 509 P HA -0.044 nan 4.420 nan 0.000 0.264 509 P C -0.681 176.623 177.300 0.008 0.000 1.193 509 P CA -0.131 62.969 63.100 0.001 0.000 0.763 509 P CB 0.349 32.060 31.700 0.018 0.000 0.810 510 V N 1.833 121.743 119.914 -0.007 0.000 2.924 510 V HA 0.782 4.877 4.120 -0.041 0.000 0.305 510 V C 0.551 176.738 176.094 0.154 0.000 1.073 510 V CA 0.199 62.512 62.300 0.021 0.000 1.098 510 V CB 0.466 32.213 31.823 -0.128 0.000 1.000 510 V HN 0.733 nan 8.190 nan 0.000 0.484 511 G N 2.068 111.008 108.800 0.234 0.000 2.600 511 G HA2 0.599 4.535 3.960 -0.041 0.000 0.293 511 G HA3 0.599 4.535 3.960 -0.041 0.000 0.293 511 G C -2.347 172.689 174.900 0.226 0.000 1.408 511 G CA -0.736 44.507 45.100 0.238 0.000 0.782 511 G HN 0.739 nan 8.290 nan 0.000 0.482 512 Y N -0.069 120.251 120.300 0.034 0.000 2.442 512 Y HA 0.606 5.132 4.550 -0.041 0.000 0.344 512 Y C 0.094 176.018 175.900 0.039 0.000 0.976 512 Y CA -0.803 57.301 58.100 0.008 0.000 1.040 512 Y CB 2.754 41.185 38.460 -0.047 0.000 1.228 512 Y HN 0.501 nan 8.280 nan 0.000 0.451 513 K N 4.199 124.656 120.400 0.096 0.000 2.235 513 K HA 0.505 4.800 4.320 -0.041 0.000 0.266 513 K C -1.596 175.023 176.600 0.031 0.000 0.980 513 K CA -0.850 55.448 56.287 0.018 0.000 0.849 513 K CB 0.905 33.351 32.500 -0.089 0.000 1.098 513 K HN 0.619 nan 8.250 nan 0.000 0.445 514 L N 5.203 126.445 121.223 0.033 0.000 2.281 514 L HA 0.278 4.593 4.340 -0.041 0.000 0.285 514 L C -1.359 175.492 176.870 -0.030 0.000 1.074 514 L CA 0.118 55.013 54.840 0.092 0.000 0.817 514 L CB 0.360 42.489 42.059 0.117 0.000 1.168 514 L HN 0.649 nan 8.230 nan 0.000 0.434 515 H N 4.513 123.684 119.070 0.168 0.000 2.541 515 H HA 0.715 5.246 4.556 -0.041 0.000 0.316 515 H C -0.048 175.404 175.328 0.207 0.000 1.043 515 H CA 0.013 56.156 56.048 0.157 0.000 1.232 515 H CB 1.289 31.130 29.762 0.131 0.000 1.406 515 H HN 0.888 nan 8.280 nan 0.000 0.469 516 A N 2.216 125.225 122.820 0.315 0.000 2.269 516 A HA 0.223 4.518 4.320 -0.041 0.000 0.319 516 A C 0.352 178.214 177.584 0.463 0.000 1.110 516 A CA -0.589 51.667 52.037 0.365 0.000 0.847 516 A CB 0.523 19.778 19.000 0.425 0.000 1.161 516 A HN 1.023 nan 8.150 nan 0.000 0.497 517 H N 0.712 119.955 119.070 0.290 0.000 2.551 517 H HA 0.001 4.533 4.556 -0.041 0.000 0.266 517 H C -0.129 175.314 175.328 0.191 0.000 0.977 517 H CA 0.233 56.403 56.048 0.203 0.000 1.163 517 H CB 0.169 30.040 29.762 0.182 0.000 1.381 517 H HN 0.744 nan 8.280 nan 0.000 0.581 518 N N 2.022 120.940 118.700 0.363 0.000 2.740 518 N HA -0.167 4.548 4.740 -0.041 0.000 0.248 518 N C -0.579 175.060 175.510 0.216 0.000 1.062 518 N CA 0.565 53.778 53.050 0.271 0.000 0.704 518 N CB -0.864 37.743 38.487 0.201 0.000 0.968 518 N HN 0.529 nan 8.380 nan 0.000 0.547 519 Q N -0.142 119.800 119.800 0.236 0.000 2.382 519 Q HA 0.365 4.680 4.340 -0.041 0.000 0.229 519 Q C -1.827 174.253 176.000 0.133 0.000 1.006 519 Q CA -1.089 54.819 55.803 0.174 0.000 0.916 519 Q CB 0.238 29.089 28.738 0.190 0.000 1.235 519 Q HN 0.129 nan 8.270 nan 0.000 0.512 520 P HA -0.013 nan 4.420 nan 0.000 0.267 520 P C -0.237 177.085 177.300 0.037 0.000 1.200 520 P CA 0.262 63.398 63.100 0.059 0.000 0.772 520 P CB 0.466 32.189 31.700 0.038 0.000 0.855 521 T N 0.020 114.588 114.554 0.024 0.000 2.891 521 T HA 0.326 4.652 4.350 -0.041 0.000 0.294 521 T C 0.257 174.923 174.700 -0.057 0.000 1.065 521 T CA -0.918 61.175 62.100 -0.012 0.000 0.936 521 T CB 0.045 68.916 68.868 0.005 0.000 1.415 521 T HN 0.184 nan 8.240 nan 0.000 0.572 522 L N 1.073 122.235 121.223 -0.103 0.000 2.628 522 L HA 0.129 4.444 4.340 -0.041 0.000 0.274 522 L C 0.808 177.636 176.870 -0.070 0.000 1.209 522 L CA 0.250 55.016 54.840 -0.123 0.000 0.930 522 L CB -0.530 41.430 42.059 -0.166 0.000 1.183 522 L HN 0.644 nan 8.230 nan 0.000 0.492 523 L N 5.031 126.216 121.223 -0.063 0.000 2.375 523 L HA 0.217 4.532 4.340 -0.041 0.000 0.215 523 L C 1.436 178.301 176.870 -0.009 0.000 1.108 523 L CA 0.225 55.050 54.840 -0.024 0.000 0.830 523 L CB -0.537 41.513 42.059 -0.015 0.000 0.959 523 L HN 0.840 nan 8.230 nan 0.000 0.457 524 A N 0.688 123.495 122.820 -0.021 0.000 2.547 524 A HA -0.102 4.193 4.320 -0.041 0.000 0.233 524 A C 0.305 177.894 177.584 0.008 0.000 1.067 524 A CA -0.073 51.965 52.037 0.001 0.000 0.763 524 A CB -0.051 18.948 19.000 -0.001 0.000 1.007 524 A HN 0.274 nan 8.150 nan 0.000 0.506 525 D N 1.541 121.954 120.400 0.022 0.000 2.472 525 D HA 0.048 4.663 4.640 -0.041 0.000 0.237 525 D C -1.490 174.819 176.300 0.016 0.000 1.141 525 D CA -1.017 52.996 54.000 0.022 0.000 0.875 525 D CB 0.822 41.639 40.800 0.030 0.000 1.192 525 D HN 0.159 nan 8.370 nan 0.000 0.450 526 P HA -0.034 nan 4.420 nan 0.000 0.221 526 P C 0.930 178.236 177.300 0.009 0.000 1.145 526 P CA 0.933 64.038 63.100 0.008 0.000 0.795 526 P CB 0.179 31.883 31.700 0.007 0.000 0.775 527 G N -1.056 107.752 108.800 0.013 0.000 3.088 527 G HA2 0.038 3.974 3.960 -0.041 0.000 0.217 527 G HA3 0.038 3.974 3.960 -0.041 0.000 0.217 527 G C 0.389 175.299 174.900 0.017 0.000 1.159 527 G CA 0.038 45.145 45.100 0.012 0.000 0.760 527 G HN 0.360 nan 8.290 nan 0.000 0.550 528 S N -0.540 115.176 115.700 0.025 0.000 2.593 528 S HA 0.306 4.752 4.470 -0.041 0.000 0.269 528 S C 1.554 176.164 174.600 0.016 0.000 1.334 528 S CA 0.425 58.652 58.200 0.044 0.000 1.015 528 S CB 1.720 64.958 63.200 0.064 0.000 0.912 528 S HN 0.060 nan 8.310 nan 0.000 0.541 529 S N 0.675 116.378 115.700 0.003 0.000 2.356 529 S HA -0.143 4.303 4.470 -0.041 0.000 0.223 529 S C 1.694 176.273 174.600 -0.035 0.000 1.032 529 S CA 1.193 59.329 58.200 -0.107 0.000 1.005 529 S CB -0.808 62.155 63.200 -0.396 0.000 0.867 529 S HN 0.707 nan 8.310 nan 0.000 0.449 530 I N 2.131 122.725 120.570 0.041 0.000 2.286 530 I HA -0.031 4.115 4.170 -0.041 0.000 0.248 530 I C 2.316 178.450 176.117 0.028 0.000 1.115 530 I CA 1.374 62.718 61.300 0.074 0.000 1.392 530 I CB -0.961 37.086 38.000 0.078 0.000 1.065 530 I HN 0.326 nan 8.210 nan 0.000 0.418 531 A N 0.278 123.101 122.820 0.005 0.000 2.019 531 A HA -0.181 4.114 4.320 -0.041 0.000 0.219 531 A C 2.399 179.979 177.584 -0.005 0.000 1.164 531 A CA 1.589 53.617 52.037 -0.016 0.000 0.644 531 A CB -0.548 18.448 19.000 -0.008 0.000 0.805 531 A HN 0.500 nan 8.150 nan 0.000 0.449 532 R N -0.912 119.589 120.500 0.001 0.000 2.080 532 R HA 0.068 4.384 4.340 -0.041 0.000 0.222 532 R C 2.279 178.588 176.300 0.015 0.000 1.107 532 R CA 1.087 57.187 56.100 -0.000 0.000 0.980 532 R CB -0.217 30.072 30.300 -0.018 0.000 0.879 532 R HN 0.416 nan 8.270 nan 0.000 0.439 533 R N 0.450 120.977 120.500 0.045 0.000 2.153 533 R HA 0.098 4.413 4.340 -0.041 0.000 0.218 533 R C 0.928 177.344 176.300 0.195 0.000 1.072 533 R CA 1.082 57.234 56.100 0.088 0.000 0.990 533 R CB 0.252 30.616 30.300 0.106 0.000 0.889 533 R HN 0.083 nan 8.270 nan 0.000 0.452 534 A N 0.237 123.169 122.820 0.186 0.000 2.911 534 A HA 0.498 4.793 4.320 -0.041 0.000 0.304 534 A C 1.224 178.710 177.584 -0.163 0.000 1.144 534 A CA -0.062 52.054 52.037 0.132 0.000 0.988 534 A CB 0.257 19.240 19.000 -0.028 0.000 1.141 534 A HN 0.235 nan 8.150 nan 0.000 0.552 535 A N 0.355 123.152 122.820 -0.038 0.000 1.986 535 A HA -0.096 4.199 4.320 -0.041 0.000 0.220 535 A C 1.810 179.385 177.584 -0.013 0.000 1.171 535 A CA 1.883 53.905 52.037 -0.024 0.000 0.640 535 A CB -0.988 18.020 19.000 0.015 0.000 0.811 535 A HN 1.386 nan 8.150 nan 0.000 0.451 536 F N -0.123 119.704 119.950 -0.205 0.000 2.202 536 F HA -0.018 4.484 4.527 -0.042 0.000 0.301 536 F C 2.042 177.904 175.800 0.103 0.000 1.082 536 F CA 0.893 58.691 58.000 -0.338 0.000 1.313 536 F CB -0.940 37.745 39.000 -0.526 0.000 1.024 536 F HN 0.151 nan 8.300 nan 0.000 0.495 537 A N 0.443 122.551 122.820 -1.188 0.000 2.209 537 A HA -0.018 4.277 4.320 -0.041 0.000 0.212 537 A C 2.103 179.531 177.584 -0.259 0.000 1.158 537 A CA 1.352 52.888 52.037 -0.835 0.000 0.742 537 A CB -1.494 16.857 19.000 -1.082 0.000 0.790 537 A HN 0.598 nan 8.150 nan 0.000 0.472 538 T N -3.578 110.927 114.554 -0.082 0.000 3.081 538 T HA 0.188 4.513 4.350 -0.041 0.000 0.255 538 T C 0.599 175.321 174.700 0.036 0.000 1.113 538 T CA 0.228 62.325 62.100 -0.006 0.000 1.082 538 T CB 0.111 68.992 68.868 0.022 0.000 0.939 538 T HN 0.112 nan 8.240 nan 0.000 0.506 539 K N 1.122 121.597 120.400 0.124 0.000 2.426 539 K HA 0.397 4.692 4.320 -0.041 0.000 0.251 539 K C -0.494 176.162 176.600 0.094 0.000 0.941 539 K CA -0.506 55.771 56.287 -0.016 0.000 0.808 539 K CB 2.120 34.367 32.500 -0.422 0.000 1.265 539 K HN -0.049 nan 8.250 nan 0.000 0.432 540 D N 0.422 120.838 120.400 0.028 0.000 2.183 540 D HA -0.020 4.595 4.640 -0.041 0.000 0.203 540 D C 0.063 176.406 176.300 0.070 0.000 0.969 540 D CA 0.850 54.910 54.000 0.101 0.000 0.842 540 D CB 0.326 41.230 40.800 0.174 0.000 0.957 540 D HN 0.159 nan 8.370 nan 0.000 0.484 541 L N -0.288 120.824 121.223 -0.186 0.000 2.493 541 L HA 0.439 4.755 4.340 -0.041 0.000 0.265 541 L C -1.974 174.767 176.870 -0.215 0.000 0.954 541 L CA -0.713 53.989 54.840 -0.230 0.000 0.844 541 L CB 1.481 42.965 42.059 -0.957 0.000 1.302 541 L HN -0.131 nan 8.230 nan 0.000 0.405 542 W N 4.158 125.443 121.300 -0.024 0.000 2.844 542 W HA 0.770 5.405 4.660 -0.041 0.000 0.340 542 W C -1.139 175.480 176.519 0.167 0.000 1.093 542 W CA -0.839 56.531 57.345 0.041 0.000 1.212 542 W CB 1.967 31.431 29.460 0.006 0.000 1.422 542 W HN 0.125 nan 8.180 nan 0.000 0.515 543 V N 2.455 122.586 119.914 0.361 0.000 2.577 543 V HA 0.691 4.786 4.120 -0.041 0.000 0.303 543 V C -0.103 176.184 176.094 0.322 0.000 1.042 543 V CA -0.824 61.670 62.300 0.323 0.000 0.872 543 V CB 1.408 33.337 31.823 0.177 0.000 0.998 543 V HN 0.602 nan 8.190 nan 0.000 0.423 544 T N 1.569 116.359 114.554 0.394 0.000 2.930 544 T HA 0.764 5.089 4.350 -0.041 0.000 0.290 544 T C -0.452 174.379 174.700 0.218 0.000 1.052 544 T CA -0.961 61.320 62.100 0.302 0.000 1.017 544 T CB 2.141 71.230 68.868 0.367 0.000 1.137 544 T HN 0.519 nan 8.240 nan 0.000 0.511 545 R N 0.756 121.339 120.500 0.138 0.000 2.340 545 R HA 0.346 4.662 4.340 -0.041 0.000 0.300 545 R C -0.836 175.508 176.300 0.073 0.000 1.069 545 R CA -0.883 55.280 56.100 0.104 0.000 0.984 545 R CB -0.463 29.876 30.300 0.064 0.000 1.003 545 R HN 0.776 nan 8.270 nan 0.000 0.459 546 Y N 3.133 123.428 120.300 -0.009 0.000 2.702 546 Y HA 0.287 4.812 4.550 -0.041 0.000 0.336 546 Y C -0.733 175.112 175.900 -0.091 0.000 1.235 546 Y CA 0.980 59.044 58.100 -0.061 0.000 1.492 546 Y CB 0.476 38.873 38.460 -0.106 0.000 1.308 546 Y HN 0.751 nan 8.280 nan 0.000 0.589 547 A N 5.231 127.317 122.820 -1.224 0.000 2.488 547 A HA 0.290 4.585 4.320 -0.041 0.000 0.295 547 A C 0.147 177.105 177.584 -1.043 0.000 1.045 547 A CA -0.612 50.887 52.037 -0.897 0.000 0.703 547 A CB 0.862 19.577 19.000 -0.475 0.000 1.271 547 A HN 0.761 nan 8.150 nan 0.000 0.400 548 D N 1.155 121.164 120.400 -0.653 0.000 2.149 548 D HA -0.185 4.430 4.640 -0.041 0.000 0.194 548 D C 1.106 177.236 176.300 -0.284 0.000 1.001 548 D CA 2.383 56.183 54.000 -0.333 0.000 0.849 548 D CB 0.081 40.809 40.800 -0.120 0.000 0.939 548 D HN 0.772 nan 8.370 nan 0.000 0.449 549 D N -0.019 120.216 120.400 -0.276 0.000 2.339 549 D HA -0.056 4.560 4.640 -0.041 0.000 0.217 549 D C -0.075 176.052 176.300 -0.289 0.000 1.050 549 D CA 0.070 53.940 54.000 -0.216 0.000 0.856 549 D CB -0.607 40.115 40.800 -0.130 0.000 0.922 549 D HN 0.166 nan 8.370 nan 0.000 0.518 550 E N 0.702 120.629 120.200 -0.454 0.000 2.026 550 E HA 0.288 4.613 4.350 -0.041 0.000 0.253 550 E C 0.595 176.999 176.600 -0.328 0.000 1.056 550 E CA -0.259 55.748 56.400 -0.655 0.000 0.927 550 E CB 0.856 29.884 29.700 -1.120 0.000 1.172 550 E HN 0.176 nan 8.360 nan 0.000 0.445 551 R N 1.187 121.492 120.500 -0.324 0.000 2.123 551 R HA 0.100 4.415 4.340 -0.041 0.000 0.209 551 R C -0.013 175.954 176.300 -0.555 0.000 1.078 551 R CA 0.657 56.401 56.100 -0.593 0.000 1.028 551 R CB 0.354 29.978 30.300 -1.126 0.000 0.939 551 R HN 0.276 nan 8.270 nan 0.000 0.463 552 Y N 0.443 120.851 120.300 0.181 0.000 2.446 552 Y HA 0.298 4.823 4.550 -0.040 0.000 0.345 552 Y C -1.752 174.134 175.900 -0.023 0.000 0.984 552 Y CA -3.243 54.923 58.100 0.111 0.000 1.058 552 Y CB 1.109 39.522 38.460 -0.078 0.000 1.220 552 Y HN -0.156 nan 8.280 nan 0.000 0.455 553 P HA -0.092 nan 4.420 nan 0.000 0.230 553 P C 0.574 177.590 177.300 -0.475 0.000 1.158 553 P CA 1.425 64.186 63.100 -0.565 0.000 0.769 553 P CB 0.154 31.441 31.700 -0.687 0.000 0.807 554 T N -5.061 109.324 114.554 -0.282 0.000 3.040 554 T HA 0.514 4.839 4.350 -0.041 0.000 0.266 554 T C 0.857 175.396 174.700 -0.268 0.000 1.005 554 T CA 0.110 62.072 62.100 -0.229 0.000 0.906 554 T CB 0.115 68.896 68.868 -0.145 0.000 1.082 554 T HN 0.331 nan 8.240 nan 0.000 0.531 555 G N 1.420 110.106 108.800 -0.190 0.000 2.712 555 G HA2 -0.142 3.793 3.960 -0.041 0.000 0.683 555 G HA3 -0.142 3.793 3.960 -0.041 0.000 0.683 555 G C -0.272 174.572 174.900 -0.093 0.000 1.320 555 G CA -0.124 44.882 45.100 -0.156 0.000 0.847 555 G HN 0.138 nan 8.290 nan 0.000 0.553 556 D N -0.578 119.719 120.400 -0.173 0.000 2.162 556 D HA 0.064 4.679 4.640 -0.041 0.000 0.203 556 D C 0.945 176.751 176.300 -0.824 0.000 0.967 556 D CA 1.454 55.188 54.000 -0.444 0.000 0.840 556 D CB 0.005 40.395 40.800 -0.684 0.000 0.972 556 D HN 0.227 nan 8.370 nan 0.000 0.482 557 F N 0.533 120.365 119.950 -0.197 0.000 2.453 557 F HA 0.202 4.704 4.527 -0.042 0.000 0.358 557 F C 1.217 176.885 175.800 -0.220 0.000 1.129 557 F CA -0.568 57.301 58.000 -0.219 0.000 1.200 557 F CB 1.041 39.902 39.000 -0.232 0.000 1.431 557 F HN -0.343 nan 8.300 nan 0.000 0.503 558 V N -0.082 119.727 119.914 -0.176 0.000 2.358 558 V HA -0.248 3.847 4.120 -0.041 0.000 0.246 558 V C 1.352 177.303 176.094 -0.238 0.000 1.047 558 V CA 1.027 63.143 62.300 -0.307 0.000 1.035 558 V CB -0.545 30.976 31.823 -0.503 0.000 0.658 558 V HN 0.651 nan 8.190 nan 0.000 0.452 559 N N 1.218 119.833 118.700 -0.141 0.000 2.374 559 N HA -0.084 4.631 4.740 -0.041 0.000 0.269 559 N C 0.520 176.001 175.510 -0.048 0.000 1.310 559 N CA 0.751 53.749 53.050 -0.088 0.000 0.877 559 N CB -0.307 38.145 38.487 -0.059 0.000 1.096 559 N HN 0.480 nan 8.380 nan 0.000 0.484 560 Q N -0.077 119.694 119.800 -0.047 0.000 2.481 560 Q HA -0.310 4.005 4.340 -0.041 0.000 0.272 560 Q C -0.700 175.264 176.000 -0.059 0.000 1.157 560 Q CA 0.799 56.574 55.803 -0.047 0.000 0.935 560 Q CB -1.553 27.158 28.738 -0.044 0.000 1.338 560 Q HN 0.700 nan 8.270 nan 0.000 0.494 561 H N -0.092 118.898 119.070 -0.134 0.000 2.525 561 H HA 0.199 4.730 4.556 -0.041 0.000 0.339 561 H C 1.225 176.473 175.328 -0.133 0.000 1.109 561 H CA 0.725 56.699 56.048 -0.124 0.000 1.352 561 H CB 1.135 30.822 29.762 -0.126 0.000 1.461 561 H HN 0.268 nan 8.280 nan 0.000 0.533 562 S N 2.718 118.049 115.700 -0.614 0.000 2.442 562 S HA 0.071 4.517 4.470 -0.041 0.000 0.236 562 S C 1.042 175.550 174.600 -0.154 0.000 1.007 562 S CA 0.501 58.489 58.200 -0.353 0.000 0.965 562 S CB -0.044 62.940 63.200 -0.360 0.000 0.773 562 S HN 1.057 nan 8.310 nan 0.000 0.504 563 G N -1.251 107.598 108.800 0.082 0.000 2.357 563 G HA2 0.479 4.415 3.960 -0.041 0.000 0.643 563 G HA3 0.479 4.415 3.960 -0.041 0.000 0.643 563 G C 0.417 175.391 174.900 0.123 0.000 1.358 563 G CA -0.049 45.121 45.100 0.117 0.000 0.986 563 G HN 1.488 nan 8.290 nan 0.000 0.620 564 G N -1.305 107.506 108.800 0.018 0.000 2.234 564 G HA2 0.212 4.147 3.960 -0.041 0.000 0.260 564 G HA3 0.212 4.147 3.960 -0.041 0.000 0.260 564 G C 1.224 176.044 174.900 -0.133 0.000 0.987 564 G CA 1.440 46.518 45.100 -0.038 0.000 0.625 564 G HN 2.558 nan 8.290 nan 0.000 0.532 565 A N -0.151 122.553 122.820 -0.193 0.000 2.346 565 A HA 0.812 5.107 4.320 -0.041 0.000 0.252 565 A C 1.896 179.194 177.584 -0.475 0.000 1.089 565 A CA 1.909 53.722 52.037 -0.373 0.000 0.797 565 A CB 0.086 18.710 19.000 -0.627 0.000 1.047 565 A HN 2.521 nan 8.150 nan 0.000 0.494 566 G N -0.949 107.442 108.800 -0.681 0.000 2.498 566 G HA2 -0.218 3.718 3.960 -0.041 0.000 0.245 566 G HA3 -0.218 3.718 3.960 -0.041 0.000 0.245 566 G C 0.842 174.758 174.900 -1.640 0.000 1.204 566 G CA 0.204 44.645 45.100 -1.099 0.000 0.933 566 G HN 1.151 nan 8.290 nan 0.000 0.574 567 L N 1.660 122.112 121.223 -1.284 0.000 2.034 567 L HA -0.137 4.178 4.340 -0.041 0.000 0.217 567 L C 0.326 176.821 176.870 -0.625 0.000 1.077 567 L CA 2.855 57.041 54.840 -1.090 0.000 0.769 567 L CB -1.407 39.768 42.059 -1.473 0.000 0.890 567 L HN 0.424 nan 8.230 nan 0.000 0.435 568 P HA -0.125 nan 4.420 nan 0.000 0.216 568 P C 1.683 178.899 177.300 -0.140 0.000 1.150 568 P CA 1.420 64.438 63.100 -0.137 0.000 0.837 568 P CB 0.092 31.733 31.700 -0.099 0.000 0.786 569 S N -1.999 113.532 115.700 -0.282 0.000 2.387 569 S HA -0.116 4.329 4.470 -0.041 0.000 0.226 569 S C 1.680 176.254 174.600 -0.042 0.000 1.026 569 S CA 0.956 59.054 58.200 -0.170 0.000 0.972 569 S CB -0.983 62.092 63.200 -0.209 0.000 0.814 569 S HN 0.110 nan 8.310 nan 0.000 0.477 570 Y N 1.654 121.874 120.300 -0.133 0.000 2.145 570 Y HA 0.031 4.557 4.550 -0.041 0.000 0.286 570 Y C 2.289 178.160 175.900 -0.048 0.000 1.145 570 Y CA -0.411 57.621 58.100 -0.115 0.000 1.148 570 Y CB -1.031 37.313 38.460 -0.194 0.000 0.981 570 Y HN 0.176 nan 8.280 nan 0.000 0.507 571 I N 0.124 120.772 120.570 0.130 0.000 2.335 571 I HA -0.253 3.892 4.170 -0.041 0.000 0.251 571 I C 2.406 178.577 176.117 0.091 0.000 1.129 571 I CA 1.398 62.778 61.300 0.134 0.000 1.402 571 I CB -1.572 36.548 38.000 0.200 0.000 1.069 571 I HN 0.154 nan 8.210 nan 0.000 0.424 572 A N 0.117 122.976 122.820 0.065 0.000 2.125 572 A HA -0.208 4.087 4.320 -0.041 0.000 0.219 572 A C 2.120 179.730 177.584 0.044 0.000 1.156 572 A CA 1.081 53.145 52.037 0.045 0.000 0.671 572 A CB -0.537 18.478 19.000 0.026 0.000 0.794 572 A HN 0.549 nan 8.150 nan 0.000 0.459 573 Q N -1.279 118.553 119.800 0.055 0.000 2.369 573 Q HA -0.060 4.255 4.340 -0.041 0.000 0.206 573 Q C 0.071 176.096 176.000 0.042 0.000 0.963 573 Q CA 0.404 56.233 55.803 0.044 0.000 0.894 573 Q CB -0.005 28.759 28.738 0.043 0.000 0.965 573 Q HN 0.592 nan 8.270 nan 0.000 0.475 574 D N 1.035 121.465 120.400 0.051 0.000 2.697 574 D HA -0.175 4.440 4.640 -0.041 0.000 0.235 574 D C -0.958 175.369 176.300 0.045 0.000 1.167 574 D CA 0.617 54.646 54.000 0.048 0.000 0.656 574 D CB -0.556 40.266 40.800 0.037 0.000 1.025 574 D HN 0.213 nan 8.370 nan 0.000 0.419 575 R N 0.441 120.972 120.500 0.051 0.000 2.560 575 R HA 0.363 4.678 4.340 -0.041 0.000 0.270 575 R C 0.195 176.527 176.300 0.053 0.000 1.074 575 R CA -0.674 55.454 56.100 0.046 0.000 1.140 575 R CB 0.465 30.790 30.300 0.043 0.000 1.073 575 R HN 0.171 nan 8.270 nan 0.000 0.527 576 D N 1.888 122.316 120.400 0.047 0.000 2.383 576 D HA 0.032 4.648 4.640 -0.041 0.000 0.252 576 D C 0.456 176.793 176.300 0.062 0.000 1.166 576 D CA -0.027 54.003 54.000 0.050 0.000 0.879 576 D CB 0.557 41.382 40.800 0.042 0.000 1.164 576 D HN 0.556 nan 8.370 nan 0.000 0.462 577 I N -0.196 120.415 120.570 0.069 0.000 4.102 577 I HA 0.347 4.493 4.170 -0.041 0.000 0.325 577 I C 0.057 176.221 176.117 0.077 0.000 1.471 577 I CA -0.535 60.814 61.300 0.082 0.000 1.133 577 I CB 0.494 38.552 38.000 0.098 0.000 1.184 577 I HN 0.081 nan 8.210 nan 0.000 0.451 578 D N 2.928 123.367 120.400 0.066 0.000 2.468 578 D HA 0.377 4.992 4.640 -0.041 0.000 0.218 578 D C 1.051 177.386 176.300 0.058 0.000 1.155 578 D CA 0.478 54.515 54.000 0.061 0.000 0.924 578 D CB 0.481 41.312 40.800 0.052 0.000 1.029 578 D HN 0.554 nan 8.370 nan 0.000 0.515 579 G N 3.258 112.097 108.800 0.065 0.000 2.370 579 G HA2 -0.174 3.761 3.960 -0.041 0.000 0.268 579 G HA3 -0.174 3.761 3.960 -0.041 0.000 0.268 579 G C -0.136 174.805 174.900 0.068 0.000 1.122 579 G CA -0.309 44.829 45.100 0.063 0.000 0.963 579 G HN 0.479 nan 8.290 nan 0.000 0.500 580 Q N -0.784 119.065 119.800 0.080 0.000 2.687 580 Q HA 0.389 4.704 4.340 -0.041 0.000 0.305 580 Q C -1.036 175.028 176.000 0.108 0.000 1.006 580 Q CA -0.927 54.926 55.803 0.084 0.000 0.763 580 Q CB 1.005 29.787 28.738 0.075 0.000 1.506 580 Q HN 0.237 nan 8.270 nan 0.000 0.459 581 D N 1.892 122.351 120.400 0.099 0.000 2.344 581 D HA 0.305 4.921 4.640 -0.041 0.000 0.253 581 D C -0.392 175.991 176.300 0.137 0.000 1.255 581 D CA 0.063 54.125 54.000 0.102 0.000 0.894 581 D CB -0.312 40.456 40.800 -0.053 0.000 1.067 581 D HN 0.430 nan 8.370 nan 0.000 0.492 582 I N 0.033 120.692 120.570 0.149 0.000 2.957 582 I HA 0.682 4.827 4.170 -0.041 0.000 0.310 582 I C -0.959 175.231 176.117 0.121 0.000 1.063 582 I CA -1.107 60.280 61.300 0.146 0.000 1.033 582 I CB 2.210 40.288 38.000 0.128 0.000 1.230 582 I HN -0.092 nan 8.210 nan 0.000 0.447 583 V N 3.620 123.602 119.914 0.112 0.000 2.588 583 V HA 0.422 4.517 4.120 -0.041 0.000 0.304 583 V C -0.169 175.904 176.094 -0.034 0.000 1.042 583 V CA -0.667 61.609 62.300 -0.039 0.000 0.877 583 V CB 1.845 33.581 31.823 -0.145 0.000 0.996 583 V HN 0.564 nan 8.190 nan 0.000 0.425 584 V N 3.724 123.555 119.914 -0.138 0.000 2.427 584 V HA 0.467 4.562 4.120 -0.041 0.000 0.286 584 V C -1.106 174.912 176.094 -0.126 0.000 1.034 584 V CA -0.463 61.828 62.300 -0.015 0.000 0.893 584 V CB 1.615 33.427 31.823 -0.019 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.452 585 W N 3.994 125.334 121.300 0.068 0.000 2.336 585 W HA 0.508 5.144 4.660 -0.041 0.000 0.315 585 W C -0.187 176.420 176.519 0.147 0.000 1.016 585 W CA -0.635 56.751 57.345 0.068 0.000 1.318 585 W CB 0.529 30.002 29.460 0.021 0.000 1.247 585 W HN 0.594 nan 8.180 nan 0.000 0.414 586 H N 1.668 120.812 119.070 0.123 0.000 2.519 586 H HA 0.519 5.051 4.556 -0.041 0.000 0.316 586 H C -0.346 175.149 175.328 0.279 0.000 1.065 586 H CA -0.221 55.861 56.048 0.057 0.000 1.264 586 H CB 1.024 30.610 29.762 -0.294 0.000 1.413 586 H HN 0.178 nan 8.280 nan 0.000 0.465 587 T N 7.269 121.799 114.554 -0.039 0.000 2.806 587 T HA 0.434 4.759 4.350 -0.041 0.000 0.290 587 T C -1.021 173.574 174.700 -0.176 0.000 0.966 587 T CA -0.258 61.855 62.100 0.022 0.000 1.060 587 T CB -0.266 68.721 68.868 0.198 0.000 0.927 587 T HN 0.496 nan 8.240 nan 0.000 0.485 588 F N -0.085 119.751 119.950 -0.190 0.000 2.628 588 F HA 0.850 5.353 4.527 -0.041 0.000 0.309 588 F C -0.257 175.628 175.800 0.141 0.000 1.108 588 F CA -1.142 56.807 58.000 -0.085 0.000 0.971 588 F CB 1.060 39.983 39.000 -0.128 0.000 1.279 588 F HN 0.809 nan 8.300 nan 0.000 0.441 589 G N 1.619 110.528 108.800 0.182 0.000 2.550 589 G HA2 0.588 4.523 3.960 -0.041 0.000 0.293 589 G HA3 0.588 4.523 3.960 -0.041 0.000 0.293 589 G C -2.514 172.486 174.900 0.167 0.000 1.402 589 G CA -1.122 44.083 45.100 0.175 0.000 0.784 589 G HN 0.831 nan 8.290 nan 0.000 0.482 590 L N 0.395 121.714 121.223 0.160 0.000 2.334 590 L HA 0.597 4.913 4.340 -0.041 0.000 0.276 590 L C -0.130 176.733 176.870 -0.012 0.000 1.014 590 L CA -0.715 54.182 54.840 0.094 0.000 0.815 590 L CB 2.409 44.538 42.059 0.117 0.000 1.268 590 L HN 0.436 nan 8.230 nan 0.000 0.428 591 T N 0.803 115.298 114.554 -0.098 0.000 2.756 591 T HA 0.241 4.566 4.350 -0.041 0.000 0.290 591 T C -0.664 173.800 174.700 -0.392 0.000 0.985 591 T CA -0.236 61.688 62.100 -0.293 0.000 0.955 591 T CB 0.146 68.853 68.868 -0.268 0.000 0.930 591 T HN 0.420 nan 8.240 nan 0.000 0.451 592 H N 3.106 121.753 119.070 -0.704 0.000 2.541 592 H HA 0.396 4.928 4.556 -0.040 0.000 0.316 592 H C -1.149 173.720 175.328 -0.765 0.000 1.043 592 H CA -1.076 54.590 56.048 -0.636 0.000 1.232 592 H CB 0.366 29.779 29.762 -0.581 0.000 1.406 592 H HN 0.437 nan 8.280 nan 0.000 0.469 593 F N 6.570 126.459 119.950 -0.101 0.000 2.307 593 F HA 0.278 4.780 4.527 -0.042 0.000 0.369 593 F C -2.060 173.719 175.800 -0.036 0.000 1.076 593 F CA -2.609 55.198 58.000 -0.322 0.000 1.149 593 F CB 0.775 39.472 39.000 -0.505 0.000 1.410 593 F HN 0.514 nan 8.300 nan 0.000 0.481 594 P HA 0.018 nan 4.420 nan 0.000 0.263 594 P C -0.307 177.103 177.300 0.184 0.000 1.175 594 P CA 0.328 63.436 63.100 0.013 0.000 0.761 594 P CB 0.585 32.261 31.700 -0.040 0.000 0.794 595 R N 1.700 122.331 120.500 0.217 0.000 2.758 595 R HA 0.351 4.667 4.340 -0.041 0.000 0.265 595 R C 1.176 177.567 176.300 0.152 0.000 1.016 595 R CA -1.021 55.175 56.100 0.162 0.000 1.040 595 R CB 0.425 30.815 30.300 0.150 0.000 1.152 595 R HN 0.099 nan 8.270 nan 0.000 0.503 596 V N 1.295 121.275 119.914 0.110 0.000 2.469 596 V HA -0.224 3.872 4.120 -0.041 0.000 0.251 596 V C 1.464 177.659 176.094 0.169 0.000 1.064 596 V CA 1.863 64.235 62.300 0.120 0.000 1.066 596 V CB -0.557 31.311 31.823 0.074 0.000 0.667 596 V HN 0.704 nan 8.190 nan 0.000 0.461 597 E N 0.083 120.363 120.200 0.133 0.000 2.333 597 E HA -0.167 4.159 4.350 -0.041 0.000 0.198 597 E C 1.607 178.289 176.600 0.137 0.000 1.007 597 E CA 0.898 57.368 56.400 0.117 0.000 0.845 597 E CB -0.243 29.508 29.700 0.084 0.000 0.766 597 E HN 0.592 nan 8.360 nan 0.000 0.507 598 D N -1.007 119.511 120.400 0.197 0.000 2.355 598 D HA -0.066 4.550 4.640 -0.041 0.000 0.218 598 D C -0.195 176.263 176.300 0.263 0.000 1.004 598 D CA 0.278 54.411 54.000 0.221 0.000 0.880 598 D CB 0.101 41.086 40.800 0.308 0.000 0.911 598 D HN 0.222 nan 8.370 nan 0.000 0.528 599 W N 2.326 123.662 121.300 0.060 0.000 2.606 599 W HA 0.209 4.842 4.660 -0.044 0.000 0.332 599 W C -1.866 174.688 176.519 0.058 0.000 1.052 599 W CA -1.977 55.402 57.345 0.057 0.000 1.223 599 W CB 2.063 31.555 29.460 0.052 0.000 1.383 599 W HN -0.197 nan 8.180 nan 0.000 0.524 600 P HA 0.077 nan 4.420 nan 0.000 0.231 600 P C 0.032 176.902 177.300 -0.716 0.000 1.168 600 P CA 0.872 63.057 63.100 -1.524 0.000 0.779 600 P CB 1.443 32.521 31.700 -1.036 0.000 0.844 601 I N 0.452 120.792 120.570 -0.384 0.000 2.569 601 I HA 0.301 4.446 4.170 -0.041 0.000 0.290 601 I C -0.413 175.589 176.117 -0.192 0.000 1.088 601 I CA -1.886 59.190 61.300 -0.374 0.000 1.047 601 I CB 2.315 39.858 38.000 -0.763 0.000 1.237 601 I HN -0.253 nan 8.210 nan 0.000 0.421 602 M N 7.884 127.420 119.600 -0.108 0.000 2.216 602 M HA 0.629 5.084 4.480 -0.041 0.000 0.356 602 M C -2.628 173.644 176.300 -0.047 0.000 1.205 602 M CA -1.297 53.991 55.300 -0.019 0.000 1.122 602 M CB 0.567 33.210 32.600 0.072 0.000 1.571 602 M HN 0.200 nan 8.290 nan 0.000 0.464 603 P HA 0.153 nan 4.420 nan 0.000 0.271 603 P C -0.636 176.650 177.300 -0.023 0.000 1.218 603 P CA -0.485 62.599 63.100 -0.028 0.000 0.780 603 P CB 0.749 32.442 31.700 -0.011 0.000 0.901 604 V N 3.146 123.048 119.914 -0.019 0.000 2.694 604 V HA -0.003 4.093 4.120 -0.041 0.000 0.306 604 V C 0.583 176.655 176.094 -0.036 0.000 1.054 604 V CA 1.060 63.353 62.300 -0.013 0.000 1.161 604 V CB 0.187 32.019 31.823 0.014 0.000 0.916 604 V HN 0.597 nan 8.190 nan 0.000 0.490 605 D N 2.049 122.415 120.400 -0.057 0.000 2.433 605 D HA 0.696 5.311 4.640 -0.041 0.000 0.236 605 D C -0.313 175.946 176.300 -0.067 0.000 1.026 605 D CA -0.191 53.768 54.000 -0.069 0.000 0.884 605 D CB 2.349 43.081 40.800 -0.113 0.000 1.384 605 D HN 0.732 nan 8.370 nan 0.000 0.477 606 T N -1.446 113.077 114.554 -0.052 0.000 2.901 606 T HA 0.772 5.097 4.350 -0.041 0.000 0.293 606 T C -0.936 173.767 174.700 0.004 0.000 1.084 606 T CA -0.812 61.250 62.100 -0.063 0.000 1.008 606 T CB 1.539 70.359 68.868 -0.081 0.000 1.170 606 T HN 0.254 nan 8.240 nan 0.000 0.509 607 V N -0.234 119.667 119.914 -0.022 0.000 3.147 607 V HA 0.862 4.957 4.120 -0.041 0.000 0.299 607 V C -0.222 175.823 176.094 -0.083 0.000 1.302 607 V CA 0.560 62.921 62.300 0.102 0.000 1.015 607 V CB 1.675 33.598 31.823 0.166 0.000 1.086 607 V HN 1.694 nan 8.190 nan 0.000 0.437 608 G N 2.974 111.559 108.800 -0.358 0.000 2.393 608 G HA2 0.717 4.652 3.960 -0.041 0.000 0.264 608 G HA3 0.717 4.652 3.960 -0.041 0.000 0.264 608 G C -1.429 172.878 174.900 -0.989 0.000 1.221 608 G CA 0.239 44.931 45.100 -0.680 0.000 0.912 608 G HN 1.947 nan 8.290 nan 0.000 0.483 609 F N -1.020 118.533 119.950 -0.661 0.000 2.858 609 F HA 0.847 5.349 4.527 -0.041 0.000 0.319 609 F C -1.120 174.634 175.800 -0.077 0.000 1.166 609 F CA -0.973 56.819 58.000 -0.346 0.000 0.899 609 F CB 1.409 40.219 39.000 -0.317 0.000 1.332 609 F HN 0.836 nan 8.300 nan 0.000 0.461 610 K N 0.863 121.402 120.400 0.232 0.000 2.555 610 K HA 0.834 5.129 4.320 -0.041 0.000 0.279 610 K C -2.467 174.361 176.600 0.380 0.000 0.986 610 K CA -1.051 55.362 56.287 0.209 0.000 0.880 610 K CB 2.645 35.226 32.500 0.135 0.000 1.474 610 K HN 0.730 nan 8.250 nan 0.000 0.433 611 L N 1.486 122.935 121.223 0.376 0.000 2.381 611 L HA 0.561 4.876 4.340 -0.041 0.000 0.274 611 L C -0.661 176.473 176.870 0.439 0.000 0.988 611 L CA -0.539 54.557 54.840 0.427 0.000 0.824 611 L CB 2.075 44.404 42.059 0.450 0.000 1.263 611 L HN 0.579 nan 8.230 nan 0.000 0.410 612 R N 3.252 123.933 120.500 0.301 0.000 2.711 612 R HA 0.568 4.884 4.340 -0.041 0.000 0.284 612 R C -2.553 173.508 176.300 -0.399 0.000 0.968 612 R CA -1.910 54.234 56.100 0.073 0.000 0.924 612 R CB 1.528 31.891 30.300 0.106 0.000 1.162 612 R HN 0.309 nan 8.270 nan 0.000 0.465 613 P HA -0.047 nan 4.420 nan 0.000 0.266 613 P C -0.760 176.322 177.300 -0.364 0.000 1.195 613 P CA 0.185 62.650 63.100 -1.059 0.000 0.768 613 P CB 0.809 32.238 31.700 -0.451 0.000 0.838 614 E N 2.045 122.096 120.200 -0.247 0.000 2.675 614 E HA 0.434 4.759 4.350 -0.041 0.000 0.236 614 E C 0.688 177.290 176.600 0.002 0.000 1.059 614 E CA -0.424 55.939 56.400 -0.062 0.000 0.775 614 E CB -0.605 29.078 29.700 -0.029 0.000 1.356 614 E HN 0.679 nan 8.360 nan 0.000 0.403 615 G N 3.379 112.191 108.800 0.021 0.000 2.160 615 G HA2 -0.362 3.574 3.960 -0.041 0.000 0.251 615 G HA3 -0.362 3.574 3.960 -0.041 0.000 0.251 615 G C 0.495 175.404 174.900 0.015 0.000 1.008 615 G CA 0.430 45.544 45.100 0.024 0.000 0.724 615 G HN 0.534 nan 8.290 nan 0.000 0.514 616 F N 0.084 119.925 119.950 -0.183 0.000 2.187 616 F HA 0.466 4.968 4.527 -0.041 0.000 0.295 616 F C 1.326 176.856 175.800 -0.450 0.000 1.091 616 F CA 0.529 58.322 58.000 -0.344 0.000 1.308 616 F CB 0.034 38.724 39.000 -0.517 0.000 1.030 616 F HN 0.120 nan 8.300 nan 0.000 0.487 617 F N 0.389 120.345 119.950 0.010 0.000 2.411 617 F HA 0.231 4.734 4.527 -0.041 0.000 0.324 617 F C 1.370 177.126 175.800 -0.074 0.000 1.086 617 F CA -0.794 57.160 58.000 -0.077 0.000 1.028 617 F CB 0.331 39.304 39.000 -0.046 0.000 1.284 617 F HN -0.273 nan 8.300 nan 0.000 0.501 618 D N 0.116 120.597 120.400 0.135 0.000 2.349 618 D HA 0.067 4.682 4.640 -0.041 0.000 0.215 618 D C 0.344 176.675 176.300 0.052 0.000 1.016 618 D CA 0.583 54.615 54.000 0.053 0.000 0.870 618 D CB 0.231 41.045 40.800 0.023 0.000 0.917 618 D HN 0.525 nan 8.370 nan 0.000 0.524 619 R N -2.180 118.366 120.500 0.077 0.000 2.888 619 R HA 0.199 4.514 4.340 -0.041 0.000 0.277 619 R C -0.785 175.515 176.300 0.000 0.000 0.981 619 R CA -0.759 55.358 56.100 0.028 0.000 0.841 619 R CB 0.317 30.620 30.300 0.004 0.000 1.405 619 R HN -0.170 nan 8.270 nan 0.000 0.472 620 S N 1.077 116.754 115.700 -0.038 0.000 2.563 620 S HA 0.102 4.547 4.470 -0.041 0.000 0.294 620 S C -1.269 173.227 174.600 -0.172 0.000 1.279 620 S CA -0.770 57.376 58.200 -0.090 0.000 1.069 620 S CB 0.473 63.639 63.200 -0.056 0.000 0.828 620 S HN 0.509 nan 8.310 nan 0.000 0.497 621 P HA 0.106 nan 4.420 nan 0.000 0.255 621 P C 0.508 177.687 177.300 -0.203 0.000 1.248 621 P CA 0.224 63.033 63.100 -0.486 0.000 0.807 621 P CB -0.167 30.744 31.700 -1.315 0.000 1.150 622 V N -3.996 115.853 119.914 -0.109 0.000 3.006 622 V HA 0.248 4.343 4.120 -0.041 0.000 0.357 622 V C 1.501 177.613 176.094 0.030 0.000 1.377 622 V CA -0.108 62.183 62.300 -0.015 0.000 1.198 622 V CB -0.753 31.087 31.823 0.029 0.000 1.216 622 V HN -0.127 nan 8.190 nan 0.000 0.520 623 L N 1.170 122.400 121.223 0.013 0.000 2.395 623 L HA 0.055 4.370 4.340 -0.041 0.000 0.218 623 L C 1.977 178.884 176.870 0.061 0.000 1.130 623 L CA 1.338 56.208 54.840 0.049 0.000 0.826 623 L CB -0.233 41.833 42.059 0.012 0.000 0.941 623 L HN 0.565 nan 8.230 nan 0.000 0.451 624 D N -0.628 119.790 120.400 0.029 0.000 2.325 624 D HA 0.011 4.626 4.640 -0.041 0.000 0.225 624 D C 0.528 176.836 176.300 0.014 0.000 1.096 624 D CA -0.007 54.005 54.000 0.020 0.000 0.844 624 D CB -0.145 40.656 40.800 0.001 0.000 0.925 624 D HN -0.014 nan 8.370 nan 0.000 0.513 625 V N 3.016 122.947 119.914 0.028 0.000 2.530 625 V HA 0.225 4.320 4.120 -0.041 0.000 0.282 625 V C -1.594 174.503 176.094 0.006 0.000 1.048 625 V CA -1.131 61.176 62.300 0.011 0.000 0.997 625 V CB 1.123 32.961 31.823 0.025 0.000 0.987 625 V HN 0.167 nan 8.190 nan 0.000 0.477 626 P HA 0.261 nan 4.420 nan 0.000 0.276 626 P C 0.291 177.562 177.300 -0.048 0.000 1.261 626 P CA -0.393 62.695 63.100 -0.020 0.000 0.800 626 P CB 1.430 33.121 31.700 -0.015 0.000 1.066 627 A N 0.795 123.579 122.820 -0.061 0.000 2.014 627 A HA -0.035 4.261 4.320 -0.041 0.000 0.218 627 A C 0.754 178.305 177.584 -0.055 0.000 1.163 627 A CA 0.751 52.734 52.037 -0.089 0.000 0.652 627 A CB -0.959 17.988 19.000 -0.088 0.000 0.808 627 A HN 0.712 nan 8.150 nan 0.000 0.449 628 N N 0.000 118.681 118.700 -0.031 0.000 1.763 628 N HA 0.000 4.715 4.740 -0.041 0.000 0.220 628 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 628 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667