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 1wth_1_A DATA FIRST_RESID 6 DATA SEQUENCE NNLNWFVGVV EDRMDPLKLG RVRVRVVGLH PPQRAQGDVM GIPTEKLPWM DATA SEQUENCE SVIQPITSAA MSGIGGSVTG PVEGTRVYGH FLDKWKTNGI VLGTYGGIVR DATA SEQUENCE EKPNRLEGFS DPTGQYPRRL GNDTNVLNQG GEVGYDSSSN VIQDSNLDTA DATA SEQUENCE INPDDRPLSE IPTDDNPNMS MAEMLRRDEG LRLKVYWDTE GYPTIGIGHL DATA SEQUENCE IMKQPVRDMA QINKVLSKQV GREITGNPGS ITMEEATTLF ERDLADMQRD DATA SEQUENCE IKSHSKVGPV WQAVNRSRQM ALENMAFQMG VGGVAKFNTM LTAMLAGDWE DATA SEQUENCE KAYKAGRDSL WYQQTKGRAS RVTMIILTGN LESYGVEVKT PARSLLAMAA DATA SEQUENCE TVAKSSDPAD PPIPNDSRIL FKEPVSSYKG EYPYVHTMET ESGHIQEFDD DATA SEQUENCE TPGQERYRLV HPTGTYEEVS PSGRRTRKTV DNLYDITNAD GNFLVAGDKK DATA SEQUENCE TNVGGSEIYY NMDNRLHQID GSNTIFVRGD ETKTVEGNGT ILVKGNVTII DATA SEQUENCE VEGNADITVK GDATTLVEGN QTNTVNGNLS WKVAGTVDWD VGGDWTEKMA DATA SEQUENCE SMSSISSGQY TIDGSRIDIG S 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.497 175.510 -0.022 0.000 1.280 6 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 6 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 7 N N 2.791 121.477 118.700 -0.024 0.000 3.091 7 N HA 0.154 4.895 4.740 0.001 0.000 0.255 7 N C -0.380 175.133 175.510 0.005 0.000 1.204 7 N CA -0.369 52.659 53.050 -0.035 0.000 0.990 7 N CB 1.130 39.568 38.487 -0.083 0.000 1.260 7 N HN 0.432 nan 8.380 nan 0.000 0.502 8 L N 2.226 123.449 121.223 -0.000 0.000 2.313 8 L HA 0.302 4.642 4.340 0.001 0.000 0.282 8 L C -0.682 176.204 176.870 0.028 0.000 1.092 8 L CA 0.072 54.908 54.840 -0.007 0.000 0.831 8 L CB -0.020 41.997 42.059 -0.070 0.000 1.159 8 L HN 0.222 nan 8.230 nan 0.000 0.442 9 N N 4.995 123.752 118.700 0.095 0.000 2.287 9 N HA 0.478 5.219 4.740 0.001 0.000 0.289 9 N C -1.469 174.185 175.510 0.240 0.000 1.066 9 N CA -0.725 52.411 53.050 0.144 0.000 0.841 9 N CB 1.301 39.867 38.487 0.133 0.000 1.599 9 N HN 0.591 nan 8.380 nan 0.000 0.476 10 W N 1.774 123.164 121.300 0.149 0.000 2.298 10 W HA 0.771 5.431 4.660 0.001 0.000 0.358 10 W C -1.114 175.465 176.519 0.099 0.000 1.241 10 W CA -0.780 56.618 57.345 0.088 0.000 1.385 10 W CB -0.051 29.543 29.460 0.224 0.000 1.225 10 W HN 0.470 nan 8.180 nan 0.000 0.654 11 F N -0.916 119.138 119.950 0.174 0.000 2.719 11 F HA 0.681 5.209 4.527 0.001 0.000 0.309 11 F C -2.072 173.884 175.800 0.260 0.000 1.138 11 F CA -1.807 56.191 58.000 -0.004 0.000 0.943 11 F CB 0.421 39.316 39.000 -0.174 0.000 1.304 11 F HN 0.197 nan 8.300 nan 0.000 0.445 12 V N 1.164 121.390 119.914 0.519 0.000 2.815 12 V HA 1.025 5.145 4.120 0.001 0.000 0.314 12 V C 0.115 176.559 176.094 0.584 0.000 1.064 12 V CA 0.020 62.646 62.300 0.542 0.000 0.952 12 V CB 1.378 33.517 31.823 0.528 0.000 1.020 12 V HN 1.420 nan 8.190 nan 0.000 0.439 13 G N 1.423 110.530 108.800 0.513 0.000 2.488 13 G HA2 0.594 4.554 3.960 0.001 0.000 0.301 13 G HA3 0.594 4.554 3.960 0.001 0.000 0.301 13 G C -2.082 173.023 174.900 0.341 0.000 1.339 13 G CA -0.420 44.950 45.100 0.450 0.000 0.803 13 G HN 0.591 nan 8.290 nan 0.000 0.482 14 V N 0.035 120.133 119.914 0.306 0.000 2.656 14 V HA 0.547 4.668 4.120 0.001 0.000 0.307 14 V C 0.133 176.285 176.094 0.098 0.000 1.051 14 V CA -0.788 61.625 62.300 0.189 0.000 0.893 14 V CB 1.693 33.659 31.823 0.239 0.000 0.999 14 V HN 0.667 nan 8.190 nan 0.000 0.426 15 V N 3.896 123.852 119.914 0.070 0.000 2.508 15 V HA 0.241 4.362 4.120 0.001 0.000 0.281 15 V C 0.851 176.961 176.094 0.028 0.000 1.041 15 V CA 0.182 62.512 62.300 0.050 0.000 1.016 15 V CB 0.922 32.779 31.823 0.058 0.000 0.984 15 V HN 1.044 nan 8.190 nan 0.000 0.478 16 E N 1.746 121.939 120.200 -0.012 0.000 2.514 16 E HA 0.163 4.513 4.350 0.001 0.000 0.215 16 E C -0.384 176.201 176.600 -0.024 0.000 0.946 16 E CA 0.016 56.399 56.400 -0.029 0.000 1.038 16 E CB 0.877 30.523 29.700 -0.090 0.000 1.069 16 E HN 0.715 nan 8.360 nan 0.000 0.503 17 D N 0.295 120.683 120.400 -0.020 0.000 2.970 17 D HA 0.120 4.761 4.640 0.001 0.000 0.230 17 D C -0.321 176.090 176.300 0.186 0.000 1.276 17 D CA -0.422 53.591 54.000 0.021 0.000 0.910 17 D CB 0.979 41.684 40.800 -0.158 0.000 1.590 17 D HN -0.005 nan 8.370 nan 0.000 0.551 18 R N 2.437 123.075 120.500 0.231 0.000 2.543 18 R HA 0.288 4.628 4.340 0.001 0.000 0.323 18 R C 0.199 176.647 176.300 0.247 0.000 1.002 18 R CA -0.460 55.794 56.100 0.257 0.000 1.106 18 R CB 0.189 30.578 30.300 0.149 0.000 1.280 18 R HN 0.130 nan 8.270 nan 0.000 0.549 19 M N 2.362 122.162 119.600 0.333 0.000 3.607 19 M HA 0.122 4.602 4.480 0.001 0.000 0.206 19 M C -0.358 176.015 176.300 0.122 0.000 1.314 19 M CA -0.830 54.604 55.300 0.223 0.000 1.526 19 M CB -0.770 31.955 32.600 0.209 0.000 1.101 19 M HN 0.062 nan 8.290 nan 0.000 0.539 20 D N 3.593 123.889 120.400 -0.173 0.000 2.502 20 D HA 0.002 4.642 4.640 0.001 0.000 0.249 20 D C -1.194 174.876 176.300 -0.382 0.000 1.188 20 D CA -1.049 52.530 54.000 -0.701 0.000 0.890 20 D CB 1.152 41.617 40.800 -0.557 0.000 1.140 20 D HN 0.212 nan 8.370 nan 0.000 0.505 21 P HA -0.095 nan 4.420 nan 0.000 0.221 21 P C 1.447 178.643 177.300 -0.173 0.000 1.150 21 P CA 0.623 63.618 63.100 -0.174 0.000 0.800 21 P CB 0.323 31.964 31.700 -0.099 0.000 0.787 22 L N -0.737 120.335 121.223 -0.251 0.000 2.591 22 L HA 0.124 4.464 4.340 0.001 0.000 0.228 22 L C 0.721 177.503 176.870 -0.146 0.000 1.133 22 L CA 0.160 54.895 54.840 -0.176 0.000 0.880 22 L CB -0.735 41.211 42.059 -0.189 0.000 1.033 22 L HN -0.082 nan 8.230 nan 0.000 0.450 23 K N 0.639 120.941 120.400 -0.164 0.000 3.156 23 K HA -0.195 4.125 4.320 0.001 0.000 0.266 23 K C 0.281 176.826 176.600 -0.092 0.000 0.966 23 K CA 0.329 56.548 56.287 -0.112 0.000 0.719 23 K CB -1.450 31.008 32.500 -0.070 0.000 1.333 23 K HN 0.365 nan 8.250 nan 0.000 0.468 24 L N -0.362 120.790 121.223 -0.119 0.000 2.965 24 L HA 0.152 4.493 4.340 0.001 0.000 0.254 24 L C 1.363 178.197 176.870 -0.060 0.000 1.220 24 L CA 0.422 55.213 54.840 -0.081 0.000 1.023 24 L CB 0.632 42.639 42.059 -0.087 0.000 1.355 24 L HN 0.599 nan 8.230 nan 0.000 0.545 25 G N 0.793 109.559 108.800 -0.058 0.000 2.187 25 G HA2 -0.314 3.647 3.960 0.001 0.000 0.261 25 G HA3 -0.314 3.647 3.960 0.001 0.000 0.261 25 G C 0.549 175.452 174.900 0.005 0.000 1.000 25 G CA 0.181 45.270 45.100 -0.017 0.000 0.718 25 G HN 0.417 nan 8.290 nan 0.000 0.519 26 R N -0.784 119.687 120.500 -0.047 0.000 2.738 26 R HA 0.507 4.847 4.340 0.001 0.000 0.268 26 R C 0.484 176.928 176.300 0.239 0.000 1.062 26 R CA 0.559 56.685 56.100 0.043 0.000 1.158 26 R CB 1.031 31.276 30.300 -0.092 0.000 1.046 26 R HN 0.762 nan 8.270 nan 0.000 0.493 27 V N -1.263 118.901 119.914 0.417 0.000 2.851 27 V HA 0.470 4.590 4.120 0.001 0.000 0.307 27 V C -0.585 175.703 176.094 0.323 0.000 1.129 27 V CA -1.255 61.305 62.300 0.432 0.000 0.932 27 V CB 2.005 33.957 31.823 0.215 0.000 1.024 27 V HN 0.678 nan 8.190 nan 0.000 0.426 28 R N 2.322 122.849 120.500 0.046 0.000 2.298 28 R HA 0.736 5.076 4.340 0.001 0.000 0.310 28 R C -1.018 175.231 176.300 -0.086 0.000 1.068 28 R CA -0.399 55.562 56.100 -0.233 0.000 0.957 28 R CB 1.726 31.672 30.300 -0.590 0.000 1.003 28 R HN 0.699 nan 8.270 nan 0.000 0.454 29 V N 3.961 123.849 119.914 -0.043 0.000 2.531 29 V HA 0.321 4.442 4.120 0.001 0.000 0.301 29 V C 0.113 176.239 176.094 0.053 0.000 1.034 29 V CA -0.869 61.438 62.300 0.011 0.000 0.865 29 V CB 1.796 33.644 31.823 0.041 0.000 0.995 29 V HN 0.663 nan 8.190 nan 0.000 0.424 30 R N 3.126 123.632 120.500 0.010 0.000 2.216 30 R HA 0.505 4.846 4.340 0.001 0.000 0.332 30 R C -0.970 175.490 176.300 0.267 0.000 1.056 30 R CA -0.271 55.862 56.100 0.054 0.000 0.901 30 R CB 1.115 31.104 30.300 -0.519 0.000 1.039 30 R HN 0.592 nan 8.270 nan 0.000 0.456 31 V N 5.668 125.775 119.914 0.323 0.000 2.432 31 V HA 0.107 4.227 4.120 0.001 0.000 0.275 31 V C 0.538 176.871 176.094 0.398 0.000 1.043 31 V CA -0.677 61.725 62.300 0.169 0.000 0.925 31 V CB 1.437 33.087 31.823 -0.289 0.000 0.985 31 V HN 0.487 nan 8.190 nan 0.000 0.466 32 V N 5.515 125.674 119.914 0.409 0.000 2.673 32 V HA 0.392 4.512 4.120 0.001 0.000 0.303 32 V C 1.537 177.686 176.094 0.091 0.000 1.046 32 V CA 1.821 64.190 62.300 0.115 0.000 1.126 32 V CB 0.201 32.023 31.823 -0.001 0.000 0.934 32 V HN 1.275 nan 8.190 nan 0.000 0.487 33 G N 3.881 112.713 108.800 0.053 0.000 2.420 33 G HA2 -0.228 3.732 3.960 0.001 0.000 0.221 33 G HA3 -0.228 3.732 3.960 0.001 0.000 0.221 33 G C 0.423 175.347 174.900 0.039 0.000 1.117 33 G CA 0.401 45.517 45.100 0.027 0.000 0.657 33 G HN 1.153 nan 8.290 nan 0.000 0.512 34 L N -0.971 120.269 121.223 0.029 0.000 2.781 34 L HA 0.548 4.889 4.340 0.001 0.000 0.245 34 L C 0.396 177.332 176.870 0.111 0.000 1.118 34 L CA -0.280 54.562 54.840 0.004 0.000 0.918 34 L CB -1.174 40.827 42.059 -0.097 0.000 1.246 34 L HN 0.464 nan 8.230 nan 0.000 0.526 35 H N 3.075 122.228 119.070 0.138 0.000 2.466 35 H HA 0.555 5.112 4.556 0.001 0.000 0.338 35 H C -2.342 173.099 175.328 0.189 0.000 1.091 35 H CA -2.203 53.904 56.048 0.098 0.000 1.207 35 H CB 1.918 31.696 29.762 0.026 0.000 1.466 35 H HN 0.080 nan 8.280 nan 0.000 0.493 36 P HA 0.058 nan 4.420 nan 0.000 0.277 36 P C -2.294 175.124 177.300 0.197 0.000 1.240 36 P CA -1.835 61.387 63.100 0.203 0.000 0.798 36 P CB 1.752 33.513 31.700 0.102 0.000 0.979 37 P HA -0.069 nan 4.420 nan 0.000 0.230 37 P C 0.101 177.447 177.300 0.076 0.000 1.158 37 P CA 0.940 64.203 63.100 0.272 0.000 0.769 37 P CB 0.329 32.240 31.700 0.352 0.000 0.807 38 Q N 0.141 119.969 119.800 0.047 0.000 2.297 38 Q HA 0.155 4.495 4.340 0.001 0.000 0.267 38 Q C 1.517 177.492 176.000 -0.041 0.000 1.006 38 Q CA 0.267 56.074 55.803 0.007 0.000 0.896 38 Q CB 0.533 29.277 28.738 0.009 0.000 1.186 38 Q HN 0.057 nan 8.270 nan 0.000 0.392 39 R N 1.425 121.897 120.500 -0.046 0.000 2.173 39 R HA 0.204 4.545 4.340 0.001 0.000 0.208 39 R C -0.047 176.216 176.300 -0.061 0.000 1.035 39 R CA 0.425 56.482 56.100 -0.072 0.000 1.004 39 R CB 0.411 30.672 30.300 -0.065 0.000 0.917 39 R HN 0.566 nan 8.270 nan 0.000 0.462 40 A N 2.126 124.922 122.820 -0.041 0.000 2.309 40 A HA 0.080 4.400 4.320 0.001 0.000 0.290 40 A C -0.015 177.548 177.584 -0.036 0.000 1.206 40 A CA -0.278 51.738 52.037 -0.035 0.000 0.850 40 A CB 0.455 19.441 19.000 -0.023 0.000 1.118 40 A HN 0.166 nan 8.150 nan 0.000 0.523 41 Q N 2.378 122.154 119.800 -0.041 0.000 2.262 41 Q HA 0.300 4.641 4.340 0.001 0.000 0.272 41 Q C 0.597 176.580 176.000 -0.028 0.000 1.076 41 Q CA 0.415 56.194 55.803 -0.040 0.000 0.905 41 Q CB 0.458 29.169 28.738 -0.045 0.000 1.182 41 Q HN 0.857 nan 8.270 nan 0.000 0.390 42 G N 3.037 111.824 108.800 -0.023 0.000 2.606 42 G HA2 0.051 4.012 3.960 0.001 0.000 0.262 42 G HA3 0.051 4.012 3.960 0.001 0.000 0.262 42 G C 0.012 174.903 174.900 -0.015 0.000 1.394 42 G CA -0.274 44.817 45.100 -0.015 0.000 1.044 42 G HN 0.706 nan 8.290 nan 0.000 0.553 43 D N -0.980 119.414 120.400 -0.011 0.000 2.137 43 D HA -0.081 4.559 4.640 0.001 0.000 0.202 43 D C 2.596 178.889 176.300 -0.011 0.000 0.970 43 D CA 1.814 55.807 54.000 -0.011 0.000 0.837 43 D CB 0.045 40.841 40.800 -0.008 0.000 0.981 43 D HN 0.188 nan 8.370 nan 0.000 0.475 44 V N -1.505 118.405 119.914 -0.007 0.000 2.806 44 V HA 0.249 4.369 4.120 0.001 0.000 0.239 44 V C 1.037 177.129 176.094 -0.003 0.000 1.113 44 V CA 0.060 62.358 62.300 -0.004 0.000 1.137 44 V CB -0.268 31.556 31.823 0.001 0.000 0.865 44 V HN 0.031 nan 8.190 nan 0.000 0.482 45 M N 0.406 120.006 119.600 -0.000 0.000 2.591 45 M HA 0.927 5.407 4.480 0.001 0.000 0.306 45 M C -0.346 175.950 176.300 -0.008 0.000 1.190 45 M CA -0.127 55.174 55.300 0.003 0.000 0.889 45 M CB 2.401 35.014 32.600 0.020 0.000 1.728 45 M HN 0.479 nan 8.290 nan 0.000 0.458 46 G N 2.645 111.433 108.800 -0.020 0.000 2.677 46 G HA2 0.338 4.299 3.960 0.001 0.000 0.321 46 G HA3 0.338 4.299 3.960 0.001 0.000 0.321 46 G C -1.755 173.103 174.900 -0.070 0.000 1.449 46 G CA -1.055 44.023 45.100 -0.037 0.000 1.064 46 G HN 0.903 nan 8.290 nan 0.000 0.627 47 I N 3.840 124.348 120.570 -0.104 0.000 2.534 47 I HA 0.455 4.625 4.170 0.001 0.000 0.288 47 I C -2.290 173.730 176.117 -0.160 0.000 1.077 47 I CA -2.277 58.933 61.300 -0.150 0.000 1.051 47 I CB 3.416 41.275 38.000 -0.236 0.000 1.234 47 I HN 0.283 nan 8.210 nan 0.000 0.425 48 P HA 0.207 nan 4.420 nan 0.000 0.279 48 P C 0.412 177.607 177.300 -0.174 0.000 1.252 48 P CA -0.247 62.773 63.100 -0.133 0.000 0.811 48 P CB 1.340 32.979 31.700 -0.101 0.000 1.035 49 T N 1.436 115.890 114.554 -0.167 0.000 2.597 49 T HA -0.208 4.142 4.350 0.001 0.000 0.267 49 T C 1.356 175.915 174.700 -0.234 0.000 1.053 49 T CA 2.136 64.116 62.100 -0.201 0.000 1.165 49 T CB -0.831 67.942 68.868 -0.159 0.000 0.863 49 T HN 0.524 nan 8.240 nan 0.000 0.427 50 E N 0.848 120.937 120.200 -0.184 0.000 2.253 50 E HA -0.159 4.191 4.350 0.001 0.000 0.202 50 E C 1.989 178.465 176.600 -0.206 0.000 1.014 50 E CA 1.150 57.442 56.400 -0.180 0.000 0.823 50 E CB -0.194 29.443 29.700 -0.105 0.000 0.736 50 E HN 0.262 nan 8.360 nan 0.000 0.478 51 K N -0.347 119.933 120.400 -0.201 0.000 2.356 51 K HA 0.204 4.524 4.320 0.001 0.000 0.195 51 K C 0.029 176.485 176.600 -0.240 0.000 1.037 51 K CA -0.005 56.168 56.287 -0.190 0.000 1.014 51 K CB 0.308 32.715 32.500 -0.155 0.000 0.815 51 K HN 0.079 nan 8.250 nan 0.000 0.507 52 L N 3.787 124.827 121.223 -0.306 0.000 2.462 52 L HA 0.098 4.438 4.340 0.001 0.000 0.272 52 L C -1.946 174.734 176.870 -0.317 0.000 1.166 52 L CA -1.583 53.061 54.840 -0.326 0.000 0.880 52 L CB 0.192 42.050 42.059 -0.335 0.000 1.142 52 L HN 0.034 nan 8.230 nan 0.000 0.473 53 P HA -0.049 nan 4.420 nan 0.000 0.271 53 P C -1.099 176.157 177.300 -0.073 0.000 1.218 53 P CA -0.382 62.654 63.100 -0.108 0.000 0.780 53 P CB 0.438 32.150 31.700 0.019 0.000 0.901 54 W N 2.160 123.477 121.300 0.028 0.000 2.216 54 W HA 0.311 4.971 4.660 0.001 0.000 0.326 54 W C 0.749 177.296 176.519 0.047 0.000 1.319 54 W CA -0.313 57.051 57.345 0.032 0.000 1.213 54 W CB 0.229 29.705 29.460 0.026 0.000 1.171 54 W HN 0.111 nan 8.180 nan 0.000 0.557 55 M N 2.112 121.902 119.600 0.318 0.000 2.508 55 M HA 0.361 4.841 4.480 0.001 0.000 0.327 55 M C -0.125 176.285 176.300 0.183 0.000 1.160 55 M CA -0.639 54.785 55.300 0.206 0.000 0.980 55 M CB 1.970 34.656 32.600 0.142 0.000 1.693 55 M HN 0.245 nan 8.290 nan 0.000 0.452 56 S N 1.301 117.082 115.700 0.134 0.000 2.617 56 S HA 0.629 5.100 4.470 0.001 0.000 0.283 56 S C -0.534 174.113 174.600 0.078 0.000 1.189 56 S CA -0.943 57.312 58.200 0.092 0.000 1.036 56 S CB 1.510 64.753 63.200 0.072 0.000 1.014 56 S HN 0.536 nan 8.310 nan 0.000 0.522 57 V N 0.652 120.600 119.914 0.057 0.000 2.630 57 V HA 0.685 4.805 4.120 0.001 0.000 0.305 57 V C -0.577 175.535 176.094 0.030 0.000 1.046 57 V CA -0.828 61.498 62.300 0.043 0.000 0.934 57 V CB 0.968 32.816 31.823 0.042 0.000 1.003 57 V HN 0.772 nan 8.190 nan 0.000 0.451 58 I N 3.282 123.865 120.570 0.021 0.000 2.377 58 I HA 0.439 4.609 4.170 0.001 0.000 0.293 58 I C 0.279 176.407 176.117 0.017 0.000 0.987 58 I CA -0.402 60.910 61.300 0.020 0.000 1.185 58 I CB 1.695 39.706 38.000 0.019 0.000 1.341 58 I HN 0.754 nan 8.210 nan 0.000 0.455 59 Q N 6.481 126.291 119.800 0.017 0.000 2.212 59 Q HA 0.418 4.759 4.340 0.001 0.000 0.238 59 Q C -2.194 173.814 176.000 0.014 0.000 0.955 59 Q CA -1.825 53.987 55.803 0.015 0.000 0.906 59 Q CB 0.311 29.057 28.738 0.013 0.000 1.215 59 Q HN 0.398 nan 8.270 nan 0.000 0.478 60 P HA -0.043 nan 4.420 nan 0.000 0.268 60 P C 0.440 177.745 177.300 0.008 0.000 1.208 60 P CA 0.042 63.149 63.100 0.011 0.000 0.777 60 P CB 0.492 32.198 31.700 0.009 0.000 0.875 61 I N -0.083 120.491 120.570 0.007 0.000 3.010 61 I HA -0.136 4.034 4.170 0.001 0.000 0.271 61 I C 1.449 177.567 176.117 0.001 0.000 1.293 61 I CA 1.643 62.946 61.300 0.005 0.000 1.452 61 I CB -1.974 36.028 38.000 0.004 0.000 1.082 61 I HN 0.307 nan 8.210 nan 0.000 0.484 62 T N -3.064 111.489 114.554 -0.001 0.000 3.113 62 T HA 0.114 4.465 4.350 0.001 0.000 0.256 62 T C 0.971 175.671 174.700 -0.001 0.000 1.131 62 T CA 0.360 62.458 62.100 -0.004 0.000 1.074 62 T CB -0.485 68.379 68.868 -0.006 0.000 0.944 62 T HN 0.340 nan 8.240 nan 0.000 0.516 63 S N 0.351 116.053 115.700 0.002 0.000 2.429 63 S HA 0.665 5.135 4.470 0.001 0.000 0.302 63 S C 1.259 175.861 174.600 0.003 0.000 1.115 63 S CA -0.417 57.785 58.200 0.003 0.000 1.095 63 S CB 0.872 64.075 63.200 0.006 0.000 0.987 63 S HN 0.414 nan 8.310 nan 0.000 0.474 64 A N 4.452 127.273 122.820 0.002 0.000 2.067 64 A HA 0.472 4.793 4.320 0.001 0.000 0.217 64 A C 1.380 178.966 177.584 0.003 0.000 1.156 64 A CA 0.872 52.910 52.037 0.002 0.000 0.683 64 A CB -1.024 17.976 19.000 0.000 0.000 0.808 64 A HN 2.060 nan 8.150 nan 0.000 0.455 65 A N -2.267 120.554 122.820 0.003 0.000 2.466 65 A HA -0.082 4.239 4.320 0.001 0.000 0.295 65 A C 0.126 177.711 177.584 0.001 0.000 1.465 65 A CA 1.582 53.620 52.037 0.002 0.000 0.744 65 A CB -1.990 17.013 19.000 0.005 0.000 1.098 65 A HN 1.452 nan 8.150 nan 0.000 0.402 66 M N -0.337 119.263 119.600 -0.000 0.000 2.238 66 M HA 0.579 5.059 4.480 0.001 0.000 0.278 66 M C 0.531 176.830 176.300 -0.002 0.000 1.040 66 M CA 0.786 56.086 55.300 -0.001 0.000 0.969 66 M CB 1.575 34.175 32.600 -0.000 0.000 1.694 66 M HN 1.245 nan 8.290 nan 0.000 0.472 67 S N 3.692 119.390 115.700 -0.003 0.000 3.425 67 S HA -0.069 4.402 4.470 0.001 0.000 0.377 67 S C 1.099 175.696 174.600 -0.004 0.000 0.989 67 S CA 1.528 59.725 58.200 -0.004 0.000 1.183 67 S CB -2.125 61.073 63.200 -0.003 0.000 0.908 67 S HN 2.016 nan 8.310 nan 0.000 0.472 68 G N -0.456 108.342 108.800 -0.004 0.000 2.217 68 G HA2 -0.263 3.697 3.960 0.001 0.000 0.246 68 G HA3 -0.263 3.697 3.960 0.001 0.000 0.246 68 G C 0.049 174.947 174.900 -0.003 0.000 0.990 68 G CA -0.030 45.067 45.100 -0.004 0.000 0.627 68 G HN 0.668 nan 8.290 nan 0.000 0.522 69 I N 2.180 122.748 120.570 -0.002 0.000 2.436 69 I HA 0.523 4.693 4.170 0.001 0.000 0.289 69 I C 1.090 177.207 176.117 -0.001 0.000 1.083 69 I CA 1.267 62.566 61.300 -0.002 0.000 1.372 69 I CB -0.272 37.727 38.000 -0.002 0.000 1.408 69 I HN 0.851 nan 8.210 nan 0.000 0.516 70 G N 4.300 113.100 108.800 0.000 0.000 2.359 70 G HA2 0.385 4.346 3.960 0.001 0.000 0.293 70 G HA3 0.385 4.346 3.960 0.001 0.000 0.293 70 G C -0.711 174.191 174.900 0.003 0.000 1.300 70 G CA -0.311 44.790 45.100 0.002 0.000 0.888 70 G HN 0.807 nan 8.290 nan 0.000 0.541 71 G N -0.912 107.891 108.800 0.005 0.000 2.557 71 G HA2 0.651 4.612 3.960 0.001 0.000 0.302 71 G HA3 0.651 4.612 3.960 0.001 0.000 0.302 71 G C 0.592 175.496 174.900 0.007 0.000 1.311 71 G CA 0.817 45.921 45.100 0.007 0.000 1.030 71 G HN 1.742 nan 8.290 nan 0.000 0.509 72 S N -1.492 114.214 115.700 0.008 0.000 2.552 72 S HA 0.047 4.518 4.470 0.001 0.000 0.289 72 S C 1.270 175.876 174.600 0.009 0.000 1.304 72 S CA 0.062 58.267 58.200 0.008 0.000 1.063 72 S CB 0.831 64.038 63.200 0.011 0.000 0.848 72 S HN 1.346 nan 8.310 nan 0.000 0.499 73 V N 2.027 121.945 119.914 0.007 0.000 3.542 73 V HA 0.339 4.460 4.120 0.001 0.000 0.296 73 V C 0.616 176.717 176.094 0.012 0.000 1.364 73 V CA 0.358 62.663 62.300 0.007 0.000 1.118 73 V CB -1.217 30.605 31.823 -0.001 0.000 0.972 73 V HN 0.931 nan 8.190 nan 0.000 0.430 74 T N -3.909 110.654 114.554 0.015 0.000 2.907 74 T HA 0.883 5.234 4.350 0.001 0.000 0.290 74 T C 0.502 175.215 174.700 0.022 0.000 1.066 74 T CA 0.165 62.278 62.100 0.022 0.000 1.012 74 T CB 2.028 70.911 68.868 0.024 0.000 1.184 74 T HN 0.736 nan 8.240 nan 0.000 0.522 75 G N 0.396 109.210 108.800 0.023 0.000 4.204 75 G HA2 0.218 4.179 3.960 0.001 0.000 0.198 75 G HA3 0.218 4.179 3.960 0.001 0.000 0.198 75 G C -2.277 172.620 174.900 -0.004 0.000 0.964 75 G CA -0.325 44.782 45.100 0.011 0.000 0.914 75 G HN 0.886 nan 8.290 nan 0.000 0.317 76 P HA 0.496 nan 4.420 nan 0.000 0.268 76 P C 0.200 177.493 177.300 -0.012 0.000 1.205 76 P CA 0.202 63.292 63.100 -0.016 0.000 0.771 76 P CB 1.721 33.426 31.700 0.009 0.000 0.858 77 V N -0.457 119.418 119.914 -0.064 0.000 3.267 77 V HA 0.454 4.574 4.120 0.001 0.000 0.317 77 V C 0.261 176.373 176.094 0.030 0.000 1.131 77 V CA -1.060 61.220 62.300 -0.035 0.000 1.031 77 V CB 1.023 32.695 31.823 -0.252 0.000 1.159 77 V HN 0.503 nan 8.190 nan 0.000 0.454 78 E N 0.920 121.209 120.200 0.148 0.000 2.414 78 E HA 0.360 4.710 4.350 0.001 0.000 0.263 78 E C 0.989 177.676 176.600 0.144 0.000 1.000 78 E CA 0.521 57.008 56.400 0.145 0.000 0.914 78 E CB 0.173 29.972 29.700 0.165 0.000 0.948 78 E HN 1.710 nan 8.360 nan 0.000 0.444 79 G N 3.016 111.869 108.800 0.089 0.000 2.217 79 G HA2 -0.279 3.682 3.960 0.001 0.000 0.246 79 G HA3 -0.279 3.682 3.960 0.001 0.000 0.246 79 G C 0.420 175.337 174.900 0.028 0.000 0.990 79 G CA 0.248 45.398 45.100 0.084 0.000 0.627 79 G HN 0.574 nan 8.290 nan 0.000 0.522 80 T N 2.041 116.586 114.554 -0.015 0.000 2.902 80 T HA 0.435 4.785 4.350 0.001 0.000 0.301 80 T C 0.918 175.563 174.700 -0.091 0.000 1.012 80 T CA 0.179 62.234 62.100 -0.075 0.000 1.151 80 T CB 0.738 69.559 68.868 -0.079 0.000 0.946 80 T HN 0.440 nan 8.240 nan 0.000 0.542 81 R N 1.679 122.045 120.500 -0.225 0.000 2.641 81 R HA 0.577 4.917 4.340 0.001 0.000 0.269 81 R C -0.465 175.581 176.300 -0.422 0.000 1.074 81 R CA -0.125 55.736 56.100 -0.398 0.000 1.133 81 R CB 0.562 30.328 30.300 -0.891 0.000 1.029 81 R HN 0.408 nan 8.270 nan 0.000 0.488 82 V N 2.537 122.355 119.914 -0.160 0.000 3.012 82 V HA 0.379 4.499 4.120 0.001 0.000 0.307 82 V C -1.896 174.393 176.094 0.324 0.000 1.166 82 V CA -0.735 61.610 62.300 0.075 0.000 0.974 82 V CB 2.026 33.925 31.823 0.127 0.000 1.040 82 V HN 0.699 nan 8.190 nan 0.000 0.428 83 Y N 3.340 123.698 120.300 0.097 0.000 2.409 83 Y HA 0.890 5.441 4.550 0.001 0.000 0.343 83 Y C 0.016 175.660 175.900 -0.426 0.000 0.973 83 Y CA 0.218 58.257 58.100 -0.100 0.000 1.064 83 Y CB 2.047 40.494 38.460 -0.022 0.000 1.207 83 Y HN 0.866 nan 8.280 nan 0.000 0.452 84 G N 3.333 110.963 108.800 -1.950 0.000 2.634 84 G HA2 0.407 4.368 3.960 0.001 0.000 0.309 84 G HA3 0.407 4.368 3.960 0.001 0.000 0.309 84 G C -2.169 171.752 174.900 -1.632 0.000 1.299 84 G CA -0.981 43.071 45.100 -1.747 0.000 0.798 84 G HN 0.735 nan 8.290 nan 0.000 0.490 85 H N -1.350 117.356 119.070 -0.606 0.000 2.690 85 H HA 0.502 5.059 4.556 0.001 0.000 0.368 85 H C -1.277 174.082 175.328 0.052 0.000 1.150 85 H CA -0.633 55.297 56.048 -0.196 0.000 1.174 85 H CB 2.739 32.458 29.762 -0.071 0.000 1.684 85 H HN 0.272 nan 8.280 nan 0.000 0.538 86 F N 2.544 122.723 119.950 0.381 0.000 2.385 86 F HA 0.168 4.696 4.527 0.001 0.000 0.360 86 F C 0.644 176.520 175.800 0.128 0.000 1.122 86 F CA -0.585 57.549 58.000 0.223 0.000 1.090 86 F CB 0.949 40.035 39.000 0.143 0.000 1.150 86 F HN 0.361 nan 8.300 nan 0.000 0.472 87 L N 2.904 124.320 121.223 0.321 0.000 2.611 87 L HA 0.133 4.473 4.340 0.001 0.000 0.229 87 L C -0.025 176.913 176.870 0.113 0.000 1.137 87 L CA 0.035 54.982 54.840 0.178 0.000 0.901 87 L CB -0.691 41.461 42.059 0.153 0.000 1.098 87 L HN 0.546 nan 8.230 nan 0.000 0.456 88 D N -0.933 119.530 120.400 0.106 0.000 2.581 88 D HA 0.130 4.770 4.640 0.001 0.000 0.232 88 D C 0.401 176.633 176.300 -0.113 0.000 1.143 88 D CA -0.700 53.303 54.000 0.004 0.000 0.881 88 D CB 1.547 42.382 40.800 0.059 0.000 1.500 88 D HN -0.019 nan 8.370 nan 0.000 0.458 89 K N -0.088 120.131 120.400 -0.303 0.000 2.147 89 K HA -0.083 4.238 4.320 0.001 0.000 0.205 89 K C 1.225 177.493 176.600 -0.553 0.000 1.049 89 K CA 0.951 56.931 56.287 -0.511 0.000 0.936 89 K CB -0.340 31.683 32.500 -0.796 0.000 0.722 89 K HN 0.486 nan 8.250 nan 0.000 0.446 90 W N 1.631 122.880 121.300 -0.085 0.000 2.800 90 W HA 0.179 4.840 4.660 0.000 0.000 0.249 90 W C -0.269 176.102 176.519 -0.247 0.000 1.294 90 W CA -0.463 56.806 57.345 -0.127 0.000 1.402 90 W CB 0.236 29.643 29.460 -0.088 0.000 1.126 90 W HN -0.059 nan 8.180 nan 0.000 0.652 91 K N 0.331 120.619 120.400 -0.187 0.000 3.162 91 K HA -0.198 4.122 4.320 0.001 0.000 0.268 91 K C 0.558 176.742 176.600 -0.693 0.000 1.062 91 K CA 1.015 56.864 56.287 -0.731 0.000 0.769 91 K CB -2.165 29.747 32.500 -0.980 0.000 1.274 91 K HN 0.424 nan 8.250 nan 0.000 0.478 92 T N -3.759 110.688 114.554 -0.177 0.000 2.975 92 T HA 0.026 4.376 4.350 0.001 0.000 0.261 92 T C 0.349 175.134 174.700 0.141 0.000 0.984 92 T CA 0.006 62.099 62.100 -0.013 0.000 0.911 92 T CB 0.186 69.084 68.868 0.050 0.000 1.127 92 T HN 0.380 nan 8.240 nan 0.000 0.514 93 N N 0.761 119.588 118.700 0.212 0.000 2.707 93 N HA 0.493 5.233 4.740 0.001 0.000 0.235 93 N C -0.514 175.242 175.510 0.410 0.000 1.028 93 N CA -0.490 52.718 53.050 0.262 0.000 0.906 93 N CB 0.635 39.237 38.487 0.192 0.000 1.131 93 N HN 0.427 nan 8.380 nan 0.000 0.509 94 G N 2.900 111.935 108.800 0.392 0.000 2.452 94 G HA2 0.557 4.517 3.960 0.001 0.000 0.324 94 G HA3 0.557 4.517 3.960 0.001 0.000 0.324 94 G C -0.248 174.741 174.900 0.149 0.000 1.214 94 G CA -0.709 44.524 45.100 0.222 0.000 0.947 94 G HN 0.560 nan 8.290 nan 0.000 0.478 95 I N -0.764 119.896 120.570 0.150 0.000 2.648 95 I HA 0.751 4.922 4.170 0.001 0.000 0.304 95 I C -0.815 175.343 176.117 0.069 0.000 1.009 95 I CA -1.337 60.026 61.300 0.105 0.000 1.114 95 I CB 2.361 40.405 38.000 0.072 0.000 1.293 95 I HN 0.129 nan 8.210 nan 0.000 0.449 96 V N 5.451 125.394 119.914 0.050 0.000 2.347 96 V HA 0.191 4.311 4.120 0.001 0.000 0.280 96 V C 0.662 176.717 176.094 -0.065 0.000 1.021 96 V CA -0.277 62.023 62.300 -0.000 0.000 0.847 96 V CB 1.322 33.195 31.823 0.083 0.000 0.990 96 V HN 0.659 nan 8.190 nan 0.000 0.444 97 L N 4.263 125.384 121.223 -0.170 0.000 2.307 97 L HA 0.523 4.863 4.340 0.001 0.000 0.211 97 L C 1.119 177.995 176.870 0.009 0.000 1.099 97 L CA 1.367 56.150 54.840 -0.094 0.000 0.816 97 L CB -0.407 41.553 42.059 -0.166 0.000 0.952 97 L HN 0.840 nan 8.230 nan 0.000 0.455 98 G N -2.117 106.710 108.800 0.044 0.000 2.430 98 G HA2 0.477 4.437 3.960 0.001 0.000 0.300 98 G HA3 0.477 4.437 3.960 0.001 0.000 0.300 98 G C -1.216 173.745 174.900 0.102 0.000 1.330 98 G CA 0.082 45.229 45.100 0.078 0.000 0.813 98 G HN -0.018 nan 8.290 nan 0.000 0.487 99 T N -2.351 112.250 114.554 0.079 0.000 2.910 99 T HA 0.850 5.201 4.350 0.001 0.000 0.287 99 T C -0.901 173.850 174.700 0.085 0.000 1.050 99 T CA -0.656 61.455 62.100 0.018 0.000 1.011 99 T CB 2.002 70.843 68.868 -0.045 0.000 1.195 99 T HN 1.869 nan 8.240 nan 0.000 0.540 100 Y N -1.988 118.336 120.300 0.039 0.000 2.552 100 Y HA 0.806 5.356 4.550 0.001 0.000 0.337 100 Y C -0.227 175.688 175.900 0.026 0.000 1.094 100 Y CA -1.388 56.724 58.100 0.022 0.000 1.028 100 Y CB 0.918 39.382 38.460 0.007 0.000 1.321 100 Y HN 1.020 nan 8.280 nan 0.000 0.456 101 G N -0.230 108.676 108.800 0.175 0.000 2.753 101 G HA2 0.776 4.736 3.960 0.001 0.000 0.285 101 G HA3 0.776 4.736 3.960 0.001 0.000 0.285 101 G C -0.525 174.484 174.900 0.181 0.000 1.344 101 G CA -0.627 44.537 45.100 0.107 0.000 1.050 101 G HN 1.514 nan 8.290 nan 0.000 0.532 102 G N -1.772 107.093 108.800 0.108 0.000 2.364 102 G HA2 0.417 4.378 3.960 0.001 0.000 0.286 102 G HA3 0.417 4.378 3.960 0.001 0.000 0.286 102 G C -1.563 173.371 174.900 0.056 0.000 1.241 102 G CA -0.840 44.317 45.100 0.095 0.000 0.887 102 G HN 0.659 nan 8.290 nan 0.000 0.484 103 I N 0.977 121.574 120.570 0.046 0.000 2.336 103 I HA 0.392 4.562 4.170 0.001 0.000 0.292 103 I C -0.170 175.969 176.117 0.037 0.000 0.991 103 I CA -0.939 60.379 61.300 0.030 0.000 1.227 103 I CB 1.941 39.950 38.000 0.015 0.000 1.366 103 I HN 0.092 nan 8.210 nan 0.000 0.466 104 V N 7.571 127.505 119.914 0.034 0.000 2.322 104 V HA 0.210 4.330 4.120 0.001 0.000 0.258 104 V C 1.321 177.433 176.094 0.030 0.000 1.074 104 V CA -0.507 61.816 62.300 0.039 0.000 0.909 104 V CB 0.342 32.191 31.823 0.043 0.000 1.090 104 V HN 0.706 nan 8.190 nan 0.000 0.486 105 R N 2.898 123.415 120.500 0.029 0.000 2.115 105 R HA 0.040 4.381 4.340 0.001 0.000 0.226 105 R C 0.724 177.038 176.300 0.024 0.000 1.100 105 R CA 0.646 56.759 56.100 0.022 0.000 0.980 105 R CB 0.174 30.486 30.300 0.020 0.000 0.875 105 R HN 0.906 nan 8.270 nan 0.000 0.445 106 E N -0.227 119.990 120.200 0.029 0.000 2.390 106 E HA 0.341 4.691 4.350 0.001 0.000 0.277 106 E C -1.281 175.341 176.600 0.036 0.000 0.939 106 E CA -0.837 55.581 56.400 0.029 0.000 0.769 106 E CB 1.850 31.566 29.700 0.028 0.000 1.251 106 E HN -0.274 nan 8.360 nan 0.000 0.450 107 K N 2.312 122.733 120.400 0.034 0.000 2.297 107 K HA 0.275 4.595 4.320 0.001 0.000 0.286 107 K C -1.892 174.734 176.600 0.043 0.000 1.053 107 K CA -1.524 54.787 56.287 0.040 0.000 0.940 107 K CB 0.714 33.233 32.500 0.032 0.000 1.019 107 K HN 0.418 nan 8.250 nan 0.000 0.475 108 P HA 0.035 nan 4.420 nan 0.000 0.274 108 P C -0.959 176.372 177.300 0.051 0.000 1.246 108 P CA -0.505 62.632 63.100 0.060 0.000 0.795 108 P CB 0.540 32.288 31.700 0.081 0.000 1.006 109 N N 1.243 119.974 118.700 0.052 0.000 2.402 109 N HA 0.004 4.744 4.740 0.001 0.000 0.252 109 N C 1.294 176.828 175.510 0.041 0.000 1.118 109 N CA -0.358 52.716 53.050 0.041 0.000 0.945 109 N CB 0.224 38.734 38.487 0.039 0.000 1.147 109 N HN 0.342 nan 8.380 nan 0.000 0.495 110 R N 3.692 124.210 120.500 0.030 0.000 2.355 110 R HA -0.032 4.308 4.340 0.001 0.000 0.219 110 R C 0.409 176.717 176.300 0.013 0.000 1.107 110 R CA 1.051 57.164 56.100 0.023 0.000 1.021 110 R CB -0.250 30.057 30.300 0.011 0.000 0.852 110 R HN 0.555 nan 8.270 nan 0.000 0.475 111 L N -0.016 121.216 121.223 0.015 0.000 2.477 111 L HA 0.180 4.520 4.340 0.001 0.000 0.220 111 L C 0.467 177.343 176.870 0.010 0.000 1.106 111 L CA 0.253 55.098 54.840 0.008 0.000 0.851 111 L CB -0.042 42.022 42.059 0.008 0.000 0.994 111 L HN 0.182 nan 8.230 nan 0.000 0.462 112 E N 0.329 120.546 120.200 0.028 0.000 2.212 112 E HA 0.363 4.714 4.350 0.001 0.000 0.270 112 E C -0.043 176.582 176.600 0.041 0.000 0.956 112 E CA -0.274 56.152 56.400 0.043 0.000 0.825 112 E CB 1.842 31.588 29.700 0.076 0.000 1.167 112 E HN 0.046 nan 8.360 nan 0.000 0.400 113 G N 0.070 108.877 108.800 0.013 0.000 2.684 113 G HA2 0.213 4.174 3.960 0.001 0.000 0.255 113 G HA3 0.213 4.174 3.960 0.001 0.000 0.255 113 G C -0.308 174.616 174.900 0.039 0.000 1.219 113 G CA -0.233 44.802 45.100 -0.109 0.000 0.901 113 G HN 0.623 nan 8.290 nan 0.000 0.548 114 F N -1.206 118.770 119.950 0.043 0.000 2.937 114 F HA -0.201 4.327 4.527 0.001 0.000 0.290 114 F C 0.967 176.799 175.800 0.053 0.000 0.802 114 F CA 0.833 58.868 58.000 0.059 0.000 1.336 114 F CB -1.857 37.185 39.000 0.070 0.000 1.438 114 F HN 0.917 nan 8.300 nan 0.000 0.469 115 S N -2.116 113.657 115.700 0.123 0.000 2.643 115 S HA 0.497 4.967 4.470 0.001 0.000 0.270 115 S C -1.344 173.295 174.600 0.065 0.000 1.166 115 S CA -0.992 57.271 58.200 0.105 0.000 0.815 115 S CB 2.226 65.486 63.200 0.099 0.000 1.139 115 S HN 0.060 nan 8.310 nan 0.000 0.472 116 D N 2.061 122.510 120.400 0.081 0.000 2.352 116 D HA 0.345 4.985 4.640 0.001 0.000 0.245 116 D C -0.975 175.346 176.300 0.035 0.000 1.224 116 D CA -2.189 51.855 54.000 0.074 0.000 0.879 116 D CB 1.259 42.132 40.800 0.121 0.000 1.057 116 D HN 0.275 nan 8.370 nan 0.000 0.491 117 P HA -0.146 nan 4.420 nan 0.000 0.221 117 P C 1.166 178.463 177.300 -0.005 0.000 1.145 117 P CA 0.879 63.978 63.100 -0.003 0.000 0.795 117 P CB 0.323 32.012 31.700 -0.019 0.000 0.775 118 T N -1.247 113.304 114.554 -0.005 0.000 2.812 118 T HA 0.096 4.447 4.350 0.001 0.000 0.264 118 T C 1.574 176.254 174.700 -0.033 0.000 1.042 118 T CA 1.937 64.023 62.100 -0.023 0.000 1.140 118 T CB -0.817 68.028 68.868 -0.038 0.000 0.870 118 T HN 0.343 nan 8.240 nan 0.000 0.445 119 G N 0.481 109.264 108.800 -0.029 0.000 2.159 119 G HA2 -0.262 3.699 3.960 0.001 0.000 0.227 119 G HA3 -0.262 3.699 3.960 0.001 0.000 0.227 119 G C 0.690 175.543 174.900 -0.078 0.000 0.986 119 G CA 0.670 45.752 45.100 -0.030 0.000 0.651 119 G HN 0.510 nan 8.290 nan 0.000 0.523 120 Q N -1.000 118.703 119.800 -0.161 0.000 2.083 120 Q HA 0.122 4.463 4.340 0.001 0.000 0.198 120 Q C 0.309 176.046 176.000 -0.438 0.000 0.969 120 Q CA 0.761 56.351 55.803 -0.355 0.000 0.838 120 Q CB 0.094 28.497 28.738 -0.560 0.000 0.900 120 Q HN 0.650 nan 8.270 nan 0.000 0.436 121 Y N 0.785 121.096 120.300 0.017 0.000 2.468 121 Y HA 0.432 4.983 4.550 0.001 0.000 0.342 121 Y C -2.070 173.843 175.900 0.022 0.000 1.021 121 Y CA -3.109 55.002 58.100 0.018 0.000 1.079 121 Y CB 1.337 39.809 38.460 0.019 0.000 1.226 121 Y HN 0.152 nan 8.280 nan 0.000 0.460 122 P HA 0.084 nan 4.420 nan 0.000 0.269 122 P C 0.037 177.442 177.300 0.176 0.000 1.209 122 P CA -0.170 63.051 63.100 0.203 0.000 0.776 122 P CB 1.355 33.124 31.700 0.115 0.000 0.876 123 R N 1.624 122.260 120.500 0.228 0.000 2.237 123 R HA -0.056 4.285 4.340 0.001 0.000 0.219 123 R C 1.079 177.423 176.300 0.073 0.000 1.080 123 R CA 1.095 57.281 56.100 0.144 0.000 0.995 123 R CB -0.008 30.402 30.300 0.182 0.000 0.875 123 R HN 0.645 nan 8.270 nan 0.000 0.462 124 R N -2.625 117.916 120.500 0.069 0.000 2.993 124 R HA 0.114 4.454 4.340 0.001 0.000 0.288 124 R C -1.493 174.832 176.300 0.040 0.000 0.982 124 R CA -0.904 55.222 56.100 0.043 0.000 0.832 124 R CB 0.192 30.511 30.300 0.033 0.000 1.340 124 R HN -0.072 nan 8.270 nan 0.000 0.516 125 L N 0.741 121.982 121.223 0.029 0.000 2.418 125 L HA 0.693 5.034 4.340 0.001 0.000 0.265 125 L C 0.832 177.715 176.870 0.021 0.000 1.143 125 L CA 0.878 55.733 54.840 0.026 0.000 0.809 125 L CB 1.122 43.194 42.059 0.020 0.000 1.124 125 L HN 1.089 nan 8.230 nan 0.000 0.456 126 G N 1.653 110.464 108.800 0.019 0.000 2.343 126 G HA2 -0.187 3.774 3.960 0.001 0.000 0.562 126 G HA3 -0.187 3.774 3.960 0.001 0.000 0.562 126 G C -1.209 173.699 174.900 0.013 0.000 1.269 126 G CA -0.874 44.234 45.100 0.012 0.000 1.011 126 G HN 0.595 nan 8.290 nan 0.000 0.498 127 N N 0.469 119.172 118.700 0.004 0.000 2.454 127 N HA 0.197 4.937 4.740 0.001 0.000 0.260 127 N C 1.059 176.577 175.510 0.013 0.000 1.218 127 N CA 0.209 53.260 53.050 0.003 0.000 0.904 127 N CB 0.954 39.432 38.487 -0.016 0.000 1.065 127 N HN 0.444 nan 8.380 nan 0.000 0.462 128 D N 0.205 120.618 120.400 0.021 0.000 2.144 128 D HA -0.111 4.530 4.640 0.001 0.000 0.200 128 D C 0.285 176.599 176.300 0.023 0.000 0.978 128 D CA 0.946 54.960 54.000 0.022 0.000 0.833 128 D CB -0.272 40.544 40.800 0.026 0.000 0.961 128 D HN 0.679 nan 8.370 nan 0.000 0.470 129 T N 0.372 114.944 114.554 0.030 0.000 2.916 129 T HA -0.042 4.309 4.350 0.001 0.000 0.303 129 T C 0.417 175.141 174.700 0.040 0.000 1.025 129 T CA -0.713 61.414 62.100 0.046 0.000 1.142 129 T CB 0.523 69.433 68.868 0.070 0.000 0.947 129 T HN -0.099 nan 8.240 nan 0.000 0.544 130 N N 2.293 121.021 118.700 0.046 0.000 2.294 130 N HA -0.083 4.657 4.740 0.001 0.000 0.248 130 N C 1.816 177.351 175.510 0.042 0.000 1.242 130 N CA 0.478 53.551 53.050 0.038 0.000 0.848 130 N CB 0.961 39.473 38.487 0.042 0.000 1.084 130 N HN 0.690 nan 8.380 nan 0.000 0.457 131 V N 2.639 122.564 119.914 0.017 0.000 2.490 131 V HA -0.196 3.924 4.120 0.001 0.000 0.250 131 V C 2.326 178.441 176.094 0.035 0.000 1.061 131 V CA 1.316 63.623 62.300 0.011 0.000 1.064 131 V CB -0.664 31.144 31.823 -0.026 0.000 0.670 131 V HN 0.573 nan 8.190 nan 0.000 0.461 132 L N 0.687 121.926 121.223 0.028 0.000 2.083 132 L HA -0.164 4.176 4.340 0.001 0.000 0.209 132 L C 2.528 179.532 176.870 0.223 0.000 1.083 132 L CA 2.395 57.295 54.840 0.100 0.000 0.752 132 L CB -0.758 41.346 42.059 0.075 0.000 0.899 132 L HN 0.418 nan 8.230 nan 0.000 0.433 133 N N -1.161 117.631 118.700 0.153 0.000 2.409 133 N HA -0.134 4.607 4.740 0.001 0.000 0.179 133 N C 1.783 177.443 175.510 0.249 0.000 1.032 133 N CA 0.268 53.419 53.050 0.168 0.000 0.898 133 N CB 0.148 38.722 38.487 0.144 0.000 0.971 133 N HN 0.379 nan 8.380 nan 0.000 0.441 134 Q N 0.101 120.013 119.800 0.186 0.000 2.123 134 Q HA 0.066 4.407 4.340 0.001 0.000 0.199 134 Q C 1.055 177.166 176.000 0.185 0.000 0.966 134 Q CA 0.727 56.610 55.803 0.134 0.000 0.845 134 Q CB 0.156 28.917 28.738 0.038 0.000 0.907 134 Q HN 0.357 nan 8.270 nan 0.000 0.439 135 G N -0.600 108.348 108.800 0.247 0.000 2.642 135 G HA2 -0.145 3.815 3.960 0.001 0.000 0.231 135 G HA3 -0.145 3.815 3.960 0.001 0.000 0.231 135 G C 0.412 175.461 174.900 0.248 0.000 1.338 135 G CA -0.447 44.839 45.100 0.310 0.000 0.883 135 G HN 0.831 nan 8.290 nan 0.000 0.570 136 G N -1.131 107.807 108.800 0.229 0.000 2.581 136 G HA2 -0.245 3.715 3.960 0.001 0.000 0.291 136 G HA3 -0.245 3.715 3.960 0.001 0.000 0.291 136 G C 1.005 176.015 174.900 0.184 0.000 1.277 136 G CA 1.374 46.572 45.100 0.163 0.000 0.959 136 G HN 1.559 nan 8.290 nan 0.000 0.554 137 E N -0.413 119.851 120.200 0.108 0.000 2.031 137 E HA -0.140 4.210 4.350 0.001 0.000 0.193 137 E C 2.877 179.544 176.600 0.111 0.000 0.994 137 E CA 2.644 59.106 56.400 0.103 0.000 0.800 137 E CB -0.274 29.456 29.700 0.051 0.000 0.752 137 E HN 0.906 nan 8.360 nan 0.000 0.447 138 V N -1.397 118.557 119.914 0.066 0.000 2.469 138 V HA -0.132 3.988 4.120 0.001 0.000 0.251 138 V C 2.122 178.213 176.094 -0.006 0.000 1.064 138 V CA 2.095 64.412 62.300 0.028 0.000 1.066 138 V CB -1.300 30.532 31.823 0.015 0.000 0.667 138 V HN 0.290 nan 8.190 nan 0.000 0.461 139 G N -1.415 107.408 108.800 0.038 0.000 2.394 139 G HA2 -0.240 3.721 3.960 0.001 0.000 0.215 139 G HA3 -0.240 3.721 3.960 0.001 0.000 0.215 139 G C 1.495 176.127 174.900 -0.446 0.000 1.165 139 G CA 0.956 45.990 45.100 -0.111 0.000 0.784 139 G HN 0.629 nan 8.290 nan 0.000 0.535 140 Y N 1.646 121.837 120.300 -0.182 0.000 2.163 140 Y HA -0.084 4.466 4.550 0.001 0.000 0.288 140 Y C 2.086 177.882 175.900 -0.174 0.000 1.136 140 Y CA 1.771 59.785 58.100 -0.143 0.000 1.147 140 Y CB 0.176 38.665 38.460 0.049 0.000 0.987 140 Y HN 0.155 nan 8.280 nan 0.000 0.509 141 D N 0.130 120.541 120.400 0.017 0.000 2.392 141 D HA -0.072 4.569 4.640 0.001 0.000 0.228 141 D C 0.726 176.942 176.300 -0.139 0.000 1.003 141 D CA 0.674 54.648 54.000 -0.043 0.000 0.917 141 D CB -0.440 40.377 40.800 0.028 0.000 0.890 141 D HN 0.141 nan 8.370 nan 0.000 0.532 142 S N 0.093 115.659 115.700 -0.223 0.000 2.563 142 S HA -0.058 4.412 4.470 0.001 0.000 0.294 142 S C 1.688 176.162 174.600 -0.209 0.000 1.279 142 S CA -0.061 58.003 58.200 -0.226 0.000 1.069 142 S CB 1.074 64.078 63.200 -0.327 0.000 0.828 142 S HN 0.083 nan 8.310 nan 0.000 0.497 143 S N 4.351 119.965 115.700 -0.144 0.000 2.390 143 S HA -0.182 4.289 4.470 0.001 0.000 0.234 143 S C 2.157 176.666 174.600 -0.152 0.000 1.063 143 S CA 2.344 60.470 58.200 -0.123 0.000 1.108 143 S CB -0.921 62.228 63.200 -0.086 0.000 0.975 143 S HN 0.880 nan 8.310 nan 0.000 0.442 144 S N 1.753 117.354 115.700 -0.165 0.000 2.392 144 S HA -0.139 4.332 4.470 0.001 0.000 0.232 144 S C 1.751 176.212 174.600 -0.231 0.000 1.041 144 S CA 1.544 59.634 58.200 -0.182 0.000 1.026 144 S CB -0.623 62.471 63.200 -0.177 0.000 0.845 144 S HN 0.624 nan 8.310 nan 0.000 0.465 145 N N 0.817 119.352 118.700 -0.274 0.000 2.207 145 N HA 0.013 4.753 4.740 0.001 0.000 0.182 145 N C 1.791 177.147 175.510 -0.257 0.000 1.020 145 N CA 0.837 53.704 53.050 -0.304 0.000 0.858 145 N CB -0.630 37.603 38.487 -0.423 0.000 0.991 145 N HN 0.232 nan 8.380 nan 0.000 0.427 146 V N 2.132 121.912 119.914 -0.223 0.000 2.332 146 V HA -0.159 3.961 4.120 0.001 0.000 0.248 146 V C 2.316 178.328 176.094 -0.137 0.000 1.055 146 V CA 1.225 63.426 62.300 -0.164 0.000 1.038 146 V CB -0.367 31.380 31.823 -0.126 0.000 0.651 146 V HN 0.235 nan 8.190 nan 0.000 0.450 147 I N -0.490 119.997 120.570 -0.138 0.000 2.394 147 I HA -0.259 3.912 4.170 0.001 0.000 0.251 147 I C 2.636 178.673 176.117 -0.133 0.000 1.136 147 I CA 1.441 62.670 61.300 -0.118 0.000 1.425 147 I CB -0.225 37.712 38.000 -0.104 0.000 1.079 147 I HN 0.434 nan 8.210 nan 0.000 0.425 148 Q N 0.901 120.584 119.800 -0.194 0.000 2.050 148 Q HA -0.247 4.093 4.340 0.001 0.000 0.202 148 Q C 1.571 177.497 176.000 -0.123 0.000 0.980 148 Q CA 1.948 57.609 55.803 -0.235 0.000 0.840 148 Q CB 0.114 28.622 28.738 -0.384 0.000 0.898 148 Q HN 0.437 nan 8.270 nan 0.000 0.424 149 D N -0.276 120.052 120.400 -0.120 0.000 2.219 149 D HA -0.066 4.575 4.640 0.001 0.000 0.205 149 D C 1.504 177.772 176.300 -0.053 0.000 0.970 149 D CA 0.836 54.793 54.000 -0.072 0.000 0.851 149 D CB -0.021 40.729 40.800 -0.082 0.000 0.943 149 D HN 0.110 nan 8.370 nan 0.000 0.488 150 S N 0.130 115.790 115.700 -0.067 0.000 2.603 150 S HA 0.038 4.508 4.470 0.001 0.000 0.220 150 S C 0.817 175.386 174.600 -0.052 0.000 0.967 150 S CA 0.040 58.203 58.200 -0.061 0.000 0.920 150 S CB -0.040 63.117 63.200 -0.073 0.000 0.773 150 S HN 0.223 nan 8.310 nan 0.000 0.529 151 N N 0.536 119.214 118.700 -0.036 0.000 2.299 151 N HA 0.322 5.063 4.740 0.001 0.000 0.246 151 N C -0.758 174.761 175.510 0.014 0.000 1.254 151 N CA -0.099 52.940 53.050 -0.018 0.000 0.879 151 N CB 0.555 39.033 38.487 -0.016 0.000 1.214 151 N HN 0.213 nan 8.380 nan 0.000 0.510 152 L N 0.118 121.350 121.223 0.015 0.000 2.452 152 L HA 0.264 4.604 4.340 0.001 0.000 0.267 152 L C 0.097 176.974 176.870 0.011 0.000 1.188 152 L CA 0.209 55.071 54.840 0.037 0.000 0.821 152 L CB 0.480 42.561 42.059 0.036 0.000 1.102 152 L HN 0.096 nan 8.230 nan 0.000 0.470 153 D N -0.392 120.017 120.400 0.015 0.000 2.340 153 D HA 0.529 5.169 4.640 0.001 0.000 0.243 153 D C -0.962 175.299 176.300 -0.064 0.000 0.988 153 D CA -0.111 53.869 54.000 -0.032 0.000 0.959 153 D CB 1.909 42.691 40.800 -0.031 0.000 1.226 153 D HN 0.420 nan 8.370 nan 0.000 0.509 154 T N 0.665 115.134 114.554 -0.141 0.000 2.881 154 T HA 0.680 5.030 4.350 0.001 0.000 0.290 154 T C -0.902 173.589 174.700 -0.348 0.000 1.000 154 T CA -0.645 61.329 62.100 -0.210 0.000 0.978 154 T CB 1.526 70.310 68.868 -0.139 0.000 0.997 154 T HN 0.374 nan 8.240 nan 0.000 0.443 155 A N 3.022 125.475 122.820 -0.613 0.000 2.301 155 A HA 0.816 5.137 4.320 0.001 0.000 0.312 155 A C -0.124 177.209 177.584 -0.418 0.000 1.182 155 A CA -0.708 50.909 52.037 -0.701 0.000 0.826 155 A CB -0.064 18.002 19.000 -1.557 0.000 1.134 155 A HN 0.898 nan 8.150 nan 0.000 0.501 156 I N 0.318 120.731 120.570 -0.262 0.000 2.441 156 I HA 0.390 4.561 4.170 0.001 0.000 0.295 156 I C -0.128 175.923 176.117 -0.110 0.000 0.994 156 I CA -0.667 60.538 61.300 -0.157 0.000 1.144 156 I CB 1.737 39.669 38.000 -0.114 0.000 1.314 156 I HN 0.655 nan 8.210 nan 0.000 0.445 157 N N 7.432 126.088 118.700 -0.074 0.000 2.420 157 N HA 0.263 5.003 4.740 0.001 0.000 0.262 157 N C -2.227 173.247 175.510 -0.060 0.000 1.144 157 N CA -1.502 51.520 53.050 -0.048 0.000 0.952 157 N CB 0.677 39.147 38.487 -0.029 0.000 1.081 157 N HN 0.535 nan 8.380 nan 0.000 0.480 158 P HA -0.084 nan 4.420 nan 0.000 0.264 158 P C -0.977 176.244 177.300 -0.132 0.000 1.179 158 P CA 0.277 63.322 63.100 -0.092 0.000 0.763 158 P CB 0.673 32.316 31.700 -0.094 0.000 0.806 159 D N 1.807 122.120 120.400 -0.145 0.000 2.274 159 D HA 0.099 4.739 4.640 0.001 0.000 0.239 159 D C 0.512 176.628 176.300 -0.307 0.000 1.104 159 D CA -0.334 53.566 54.000 -0.166 0.000 0.840 159 D CB 0.513 41.250 40.800 -0.106 0.000 1.100 159 D HN 0.273 nan 8.370 nan 0.000 0.477 160 D N 2.293 122.457 120.400 -0.394 0.000 2.398 160 D HA 0.025 4.666 4.640 0.001 0.000 0.210 160 D C 0.208 176.308 176.300 -0.334 0.000 1.094 160 D CA -0.292 53.244 54.000 -0.773 0.000 0.839 160 D CB -0.057 40.208 40.800 -0.891 0.000 0.963 160 D HN 0.198 nan 8.370 nan 0.000 0.506 161 R N 1.730 122.147 120.500 -0.138 0.000 2.679 161 R HA 0.232 4.572 4.340 0.001 0.000 0.268 161 R C -2.033 174.301 176.300 0.057 0.000 1.044 161 R CA -0.987 55.104 56.100 -0.014 0.000 1.105 161 R CB -0.115 30.172 30.300 -0.021 0.000 0.989 161 R HN 0.178 nan 8.270 nan 0.000 0.447 162 P HA -0.015 nan 4.420 nan 0.000 0.271 162 P C 0.673 178.009 177.300 0.060 0.000 1.218 162 P CA -0.041 63.125 63.100 0.111 0.000 0.780 162 P CB 0.618 32.370 31.700 0.087 0.000 0.901 163 L N 1.631 122.886 121.223 0.054 0.000 2.211 163 L HA -0.258 4.083 4.340 0.001 0.000 0.216 163 L C 2.451 179.339 176.870 0.030 0.000 1.092 163 L CA 2.299 57.154 54.840 0.026 0.000 0.767 163 L CB -1.118 40.953 42.059 0.018 0.000 0.894 163 L HN 0.505 nan 8.230 nan 0.000 0.437 164 S N -1.282 114.438 115.700 0.034 0.000 2.461 164 S HA -0.109 4.361 4.470 0.001 0.000 0.228 164 S C 1.575 176.190 174.600 0.026 0.000 1.005 164 S CA 0.563 58.783 58.200 0.033 0.000 0.942 164 S CB -0.055 63.163 63.200 0.030 0.000 0.776 164 S HN 0.524 nan 8.310 nan 0.000 0.514 165 E N 0.440 120.653 120.200 0.022 0.000 2.447 165 E HA 0.274 4.625 4.350 0.001 0.000 0.195 165 E C -0.208 176.394 176.600 0.004 0.000 1.028 165 E CA -0.143 56.265 56.400 0.014 0.000 0.876 165 E CB 0.126 29.835 29.700 0.014 0.000 0.885 165 E HN 0.584 nan 8.360 nan 0.000 0.500 166 I N 4.863 125.433 120.570 0.001 0.000 2.494 166 I HA 0.042 4.212 4.170 0.001 0.000 0.289 166 I C -1.910 174.198 176.117 -0.015 0.000 1.106 166 I CA -1.500 59.792 61.300 -0.014 0.000 1.369 166 I CB 0.028 38.014 38.000 -0.024 0.000 1.410 166 I HN -0.148 nan 8.210 nan 0.000 0.523 167 P HA 0.121 nan 4.420 nan 0.000 0.275 167 P C -0.154 177.125 177.300 -0.034 0.000 1.227 167 P CA -0.289 62.800 63.100 -0.019 0.000 0.781 167 P CB 0.880 32.570 31.700 -0.016 0.000 0.906 168 T N -1.246 113.286 114.554 -0.036 0.000 2.788 168 T HA 0.262 4.612 4.350 0.001 0.000 0.280 168 T C -0.189 174.478 174.700 -0.055 0.000 0.984 168 T CA -0.547 61.515 62.100 -0.063 0.000 0.972 168 T CB 0.703 69.533 68.868 -0.063 0.000 1.039 168 T HN 0.376 nan 8.240 nan 0.000 0.530 169 D N -0.127 120.231 120.400 -0.070 0.000 2.389 169 D HA 0.237 4.878 4.640 0.001 0.000 0.256 169 D C -0.374 175.886 176.300 -0.066 0.000 1.239 169 D CA -0.418 53.547 54.000 -0.058 0.000 0.925 169 D CB 1.188 41.954 40.800 -0.056 0.000 1.145 169 D HN 0.418 nan 8.370 nan 0.000 0.542 170 D N 1.231 121.598 120.400 -0.055 0.000 2.350 170 D HA -0.053 4.587 4.640 0.001 0.000 0.216 170 D C 0.227 176.493 176.300 -0.056 0.000 0.968 170 D CA 0.734 54.699 54.000 -0.059 0.000 0.894 170 D CB 0.242 41.014 40.800 -0.046 0.000 0.909 170 D HN 0.233 nan 8.370 nan 0.000 0.520 171 N N 0.234 118.905 118.700 -0.048 0.000 2.751 171 N HA 0.104 4.844 4.740 0.001 0.000 0.238 171 N C -2.899 172.588 175.510 -0.038 0.000 1.351 171 N CA -1.061 51.964 53.050 -0.041 0.000 0.751 171 N CB 1.612 40.080 38.487 -0.032 0.000 1.342 171 N HN -0.112 nan 8.380 nan 0.000 0.540 172 P HA 0.130 nan 4.420 nan 0.000 0.272 172 P C -0.175 177.105 177.300 -0.034 0.000 1.230 172 P CA -0.213 62.860 63.100 -0.045 0.000 0.788 172 P CB 1.175 32.837 31.700 -0.064 0.000 0.949 173 N N 1.054 119.739 118.700 -0.026 0.000 2.802 173 N HA 0.259 4.999 4.740 0.001 0.000 0.288 173 N C -0.375 175.126 175.510 -0.015 0.000 1.268 173 N CA -0.146 52.895 53.050 -0.016 0.000 1.035 173 N CB -0.753 37.728 38.487 -0.008 0.000 1.353 173 N HN 0.373 nan 8.380 nan 0.000 0.522 174 M N -0.225 119.359 119.600 -0.027 0.000 2.421 174 M HA 0.340 4.820 4.480 0.001 0.000 0.287 174 M C -1.242 175.039 176.300 -0.033 0.000 1.183 174 M CA -0.590 54.693 55.300 -0.028 0.000 0.916 174 M CB 1.738 34.309 32.600 -0.047 0.000 1.701 174 M HN 0.008 nan 8.290 nan 0.000 0.470 175 S N 3.001 118.690 115.700 -0.018 0.000 2.617 175 S HA 0.405 4.875 4.470 0.001 0.000 0.283 175 S C 1.044 175.635 174.600 -0.016 0.000 1.189 175 S CA -0.691 57.503 58.200 -0.011 0.000 1.036 175 S CB 1.126 64.329 63.200 0.006 0.000 1.014 175 S HN 0.909 nan 8.310 nan 0.000 0.522 176 M N 3.014 122.605 119.600 -0.016 0.000 2.149 176 M HA -0.069 4.412 4.480 0.001 0.000 0.261 176 M C 2.283 178.587 176.300 0.007 0.000 1.064 176 M CA 1.879 57.164 55.300 -0.025 0.000 1.102 176 M CB -2.033 30.549 32.600 -0.030 0.000 1.369 176 M HN 0.884 nan 8.290 nan 0.000 0.408 177 A N -0.232 122.608 122.820 0.035 0.000 1.972 177 A HA -0.166 4.155 4.320 0.001 0.000 0.219 177 A C 2.049 179.731 177.584 0.163 0.000 1.169 177 A CA 1.621 53.754 52.037 0.160 0.000 0.635 177 A CB -0.497 18.570 19.000 0.112 0.000 0.810 177 A HN 0.611 nan 8.150 nan 0.000 0.446 178 E N -1.091 119.149 120.200 0.068 0.000 2.102 178 E HA -0.041 4.310 4.350 0.001 0.000 0.190 178 E C 2.072 178.691 176.600 0.033 0.000 0.971 178 E CA 0.828 57.251 56.400 0.039 0.000 0.821 178 E CB -0.261 29.454 29.700 0.026 0.000 0.777 178 E HN 0.721 nan 8.360 nan 0.000 0.460 179 M N 0.871 120.482 119.600 0.018 0.000 2.067 179 M HA -0.172 4.308 4.480 0.001 0.000 0.260 179 M C 2.032 178.372 176.300 0.067 0.000 1.069 179 M CA 1.371 56.687 55.300 0.026 0.000 1.117 179 M CB 0.003 32.535 32.600 -0.114 0.000 1.334 179 M HN 0.130 nan 8.290 nan 0.000 0.407 180 L N 0.618 121.851 121.223 0.016 0.000 2.191 180 L HA -0.146 4.194 4.340 0.001 0.000 0.212 180 L C 2.501 179.313 176.870 -0.097 0.000 1.103 180 L CA 1.719 56.536 54.840 -0.039 0.000 0.769 180 L CB -0.936 41.050 42.059 -0.120 0.000 0.908 180 L HN 0.328 nan 8.230 nan 0.000 0.438 181 R N -0.286 120.153 120.500 -0.103 0.000 2.075 181 R HA -0.173 4.167 4.340 0.001 0.000 0.232 181 R C 2.370 178.607 176.300 -0.106 0.000 1.126 181 R CA 1.558 57.532 56.100 -0.211 0.000 0.963 181 R CB -0.136 30.081 30.300 -0.138 0.000 0.858 181 R HN 0.469 nan 8.270 nan 0.000 0.435 182 R N -0.591 119.899 120.500 -0.016 0.000 2.193 182 R HA 0.036 4.377 4.340 0.001 0.000 0.213 182 R C 1.026 177.336 176.300 0.015 0.000 1.055 182 R CA 1.628 57.733 56.100 0.008 0.000 0.995 182 R CB -0.059 30.272 30.300 0.051 0.000 0.893 182 R HN 0.114 nan 8.270 nan 0.000 0.459 183 D N 0.580 121.011 120.400 0.052 0.000 2.162 183 D HA -0.066 4.574 4.640 0.001 0.000 0.205 183 D C 1.238 177.574 176.300 0.059 0.000 0.964 183 D CA 1.012 55.053 54.000 0.068 0.000 0.847 183 D CB 0.123 41.012 40.800 0.148 0.000 0.988 183 D HN 0.254 nan 8.370 nan 0.000 0.480 184 E N -0.044 120.185 120.200 0.047 0.000 2.385 184 E HA 0.217 4.567 4.350 0.001 0.000 0.194 184 E C 1.084 177.698 176.600 0.022 0.000 1.013 184 E CA 0.487 56.933 56.400 0.077 0.000 0.866 184 E CB 0.253 30.020 29.700 0.112 0.000 0.832 184 E HN 0.264 nan 8.360 nan 0.000 0.500 185 G N 0.460 109.237 108.800 -0.039 0.000 2.566 185 G HA2 -0.280 3.680 3.960 0.001 0.000 0.280 185 G HA3 -0.280 3.680 3.960 0.001 0.000 0.280 185 G C -0.732 174.123 174.900 -0.075 0.000 1.225 185 G CA 0.060 45.125 45.100 -0.058 0.000 0.966 185 G HN 0.441 nan 8.290 nan 0.000 0.560 186 L N -0.811 120.377 121.223 -0.059 0.000 2.737 186 L HA 0.834 5.175 4.340 0.001 0.000 0.261 186 L C -0.802 176.050 176.870 -0.030 0.000 0.949 186 L CA -0.499 54.314 54.840 -0.045 0.000 0.952 186 L CB 1.936 43.952 42.059 -0.072 0.000 1.337 186 L HN 0.830 nan 8.230 nan 0.000 0.430 187 R N 3.785 124.300 120.500 0.026 0.000 2.561 187 R HA 0.653 4.993 4.340 0.001 0.000 0.297 187 R C 0.051 176.396 176.300 0.075 0.000 0.969 187 R CA -0.595 55.525 56.100 0.033 0.000 0.879 187 R CB 1.676 31.989 30.300 0.021 0.000 1.178 187 R HN 0.594 nan 8.270 nan 0.000 0.445 188 L N 1.431 122.677 121.223 0.039 0.000 2.592 188 L HA 0.314 4.655 4.340 0.001 0.000 0.227 188 L C -0.210 176.682 176.870 0.037 0.000 1.127 188 L CA 0.911 55.770 54.840 0.031 0.000 0.884 188 L CB -0.356 41.706 42.059 0.005 0.000 1.065 188 L HN 0.370 nan 8.230 nan 0.000 0.457 189 K N -0.901 119.537 120.400 0.063 0.000 2.324 189 K HA 0.464 4.784 4.320 0.001 0.000 0.253 189 K C -0.662 175.976 176.600 0.064 0.000 0.932 189 K CA -0.880 55.437 56.287 0.052 0.000 0.799 189 K CB 2.860 35.392 32.500 0.053 0.000 1.154 189 K HN -0.341 nan 8.250 nan 0.000 0.425 190 V N 4.264 124.148 119.914 -0.051 0.000 2.681 190 V HA -0.120 4.000 4.120 0.001 0.000 0.306 190 V C -0.182 175.743 176.094 -0.281 0.000 1.077 190 V CA 0.743 62.895 62.300 -0.246 0.000 1.224 190 V CB -1.100 30.510 31.823 -0.355 0.000 0.879 190 V HN 0.729 nan 8.190 nan 0.000 0.494 191 Y N 2.681 122.694 120.300 -0.478 0.000 2.876 191 Y HA 0.816 5.366 4.550 0.001 0.000 0.317 191 Y C -1.064 174.532 175.900 -0.506 0.000 1.369 191 Y CA -1.991 55.920 58.100 -0.315 0.000 1.101 191 Y CB 1.425 39.883 38.460 -0.003 0.000 1.346 191 Y HN 0.442 nan 8.280 nan 0.000 0.505 192 W N 2.127 123.547 121.300 0.200 0.000 2.883 192 W HA 0.272 4.933 4.660 0.001 0.000 0.335 192 W C -1.222 175.397 176.519 0.166 0.000 1.083 192 W CA -0.743 56.637 57.345 0.059 0.000 1.233 192 W CB 2.290 31.783 29.460 0.055 0.000 1.412 192 W HN 0.742 nan 8.180 nan 0.000 0.490 193 D N -1.041 119.505 120.400 0.243 0.000 2.433 193 D HA 0.040 4.681 4.640 0.001 0.000 0.255 193 D C 1.495 177.884 176.300 0.147 0.000 1.226 193 D CA -0.037 54.100 54.000 0.229 0.000 1.015 193 D CB 0.000 40.904 40.800 0.173 0.000 1.091 193 D HN 0.299 nan 8.370 nan 0.000 0.527 194 T N -2.473 112.141 114.554 0.101 0.000 2.869 194 T HA -0.221 4.130 4.350 0.001 0.000 0.270 194 T C 0.902 175.581 174.700 -0.034 0.000 1.082 194 T CA 1.491 63.613 62.100 0.036 0.000 1.123 194 T CB -0.500 68.381 68.868 0.022 0.000 0.856 194 T HN 0.544 nan 8.240 nan 0.000 0.499 195 E N 0.077 120.213 120.200 -0.108 0.000 2.465 195 E HA 0.408 4.758 4.350 0.001 0.000 0.195 195 E C 1.380 177.660 176.600 -0.533 0.000 1.028 195 E CA 0.074 56.274 56.400 -0.333 0.000 0.899 195 E CB 0.148 29.579 29.700 -0.448 0.000 1.032 195 E HN 0.610 nan 8.360 nan 0.000 0.468 196 G N 1.022 109.688 108.800 -0.222 0.000 2.159 196 G HA2 -0.284 3.677 3.960 0.001 0.000 0.256 196 G HA3 -0.284 3.677 3.960 0.001 0.000 0.256 196 G C -0.348 174.634 174.900 0.136 0.000 0.977 196 G CA -0.094 44.960 45.100 -0.078 0.000 0.652 196 G HN 0.194 nan 8.290 nan 0.000 0.531 197 Y N 1.388 121.805 120.300 0.195 0.000 2.313 197 Y HA 0.489 5.039 4.550 0.001 0.000 0.332 197 Y C -1.630 174.239 175.900 -0.052 0.000 1.071 197 Y CA -3.218 54.941 58.100 0.098 0.000 1.169 197 Y CB 1.020 39.480 38.460 0.000 0.000 1.192 197 Y HN -0.007 nan 8.280 nan 0.000 0.487 198 P HA 0.093 nan 4.420 nan 0.000 0.271 198 P C -0.597 176.413 177.300 -0.483 0.000 1.226 198 P CA 0.095 62.861 63.100 -0.556 0.000 0.765 198 P CB 0.985 32.442 31.700 -0.406 0.000 0.835 199 T N 4.078 118.192 114.554 -0.732 0.000 2.901 199 T HA 0.744 5.094 4.350 0.001 0.000 0.293 199 T C -0.137 174.149 174.700 -0.690 0.000 1.084 199 T CA -0.507 61.178 62.100 -0.691 0.000 1.008 199 T CB 1.748 70.101 68.868 -0.858 0.000 1.170 199 T HN 0.442 nan 8.240 nan 0.000 0.509 200 I N -1.032 119.369 120.570 -0.281 0.000 3.244 200 I HA 0.540 4.710 4.170 0.001 0.000 0.314 200 I C 0.738 176.937 176.117 0.136 0.000 1.342 200 I CA 0.130 61.411 61.300 -0.030 0.000 0.925 200 I CB 1.310 39.291 38.000 -0.030 0.000 1.321 200 I HN 0.874 nan 8.210 nan 0.000 0.500 201 G N 2.681 111.563 108.800 0.136 0.000 2.651 201 G HA2 -0.314 3.647 3.960 0.001 0.000 0.315 201 G HA3 -0.314 3.647 3.960 0.001 0.000 0.315 201 G C -0.207 174.763 174.900 0.116 0.000 1.258 201 G CA 0.705 45.872 45.100 0.111 0.000 1.002 201 G HN 0.679 nan 8.290 nan 0.000 0.551 202 I N 2.522 123.150 120.570 0.096 0.000 2.317 202 I HA 0.503 4.674 4.170 0.001 0.000 0.286 202 I C 1.348 177.599 176.117 0.223 0.000 1.119 202 I CA 1.051 62.354 61.300 0.005 0.000 1.228 202 I CB 0.597 38.342 38.000 -0.425 0.000 1.476 202 I HN 1.640 nan 8.210 nan 0.000 0.514 203 G N 3.309 112.268 108.800 0.265 0.000 2.296 203 G HA2 -0.362 3.598 3.960 0.001 0.000 0.282 203 G HA3 -0.362 3.598 3.960 0.001 0.000 0.282 203 G C 0.291 175.355 174.900 0.273 0.000 1.014 203 G CA 0.267 45.556 45.100 0.314 0.000 0.812 203 G HN 0.749 nan 8.290 nan 0.000 0.508 204 H N -0.464 118.682 119.070 0.127 0.000 2.944 204 H HA 0.490 5.047 4.556 0.001 0.000 0.278 204 H C 0.551 175.839 175.328 -0.068 0.000 1.083 204 H CA -0.936 55.143 56.048 0.051 0.000 1.479 204 H CB 0.492 30.297 29.762 0.071 0.000 1.486 204 H HN 0.275 nan 8.280 nan 0.000 0.493 205 L N 6.196 127.114 121.223 -0.508 0.000 2.410 205 L HA 0.109 4.449 4.340 0.001 0.000 0.273 205 L C 0.379 176.826 176.870 -0.704 0.000 1.144 205 L CA 0.502 55.054 54.840 -0.481 0.000 0.863 205 L CB 0.134 41.988 42.059 -0.342 0.000 1.140 205 L HN 0.866 nan 8.230 nan 0.000 0.463 206 I N 4.897 125.191 120.570 -0.459 0.000 3.035 206 I HA 0.050 4.221 4.170 0.001 0.000 0.271 206 I C 0.441 176.419 176.117 -0.231 0.000 1.190 206 I CA 0.435 61.536 61.300 -0.330 0.000 1.472 206 I CB -0.190 37.681 38.000 -0.216 0.000 1.116 206 I HN 0.697 nan 8.210 nan 0.000 0.443 207 M N -1.109 118.350 119.600 -0.234 0.000 2.415 207 M HA 0.275 4.756 4.480 0.001 0.000 0.292 207 M C -0.898 175.217 176.300 -0.308 0.000 1.107 207 M CA -0.681 54.495 55.300 -0.207 0.000 0.927 207 M CB 1.711 34.239 32.600 -0.120 0.000 1.808 207 M HN -0.264 nan 8.290 nan 0.000 0.509 208 K N 1.887 122.033 120.400 -0.424 0.000 3.165 208 K HA 0.191 4.511 4.320 0.001 0.000 0.270 208 K C -0.812 175.353 176.600 -0.725 0.000 1.111 208 K CA 0.236 55.994 56.287 -0.881 0.000 1.216 208 K CB 0.326 32.434 32.500 -0.654 0.000 1.229 208 K HN 0.555 nan 8.250 nan 0.000 0.435 209 Q N 0.625 120.271 119.800 -0.257 0.000 2.347 209 Q HA 0.225 4.566 4.340 0.001 0.000 0.271 209 Q C -2.466 173.745 176.000 0.352 0.000 1.064 209 Q CA -2.109 53.759 55.803 0.109 0.000 0.800 209 Q CB 1.946 30.708 28.738 0.040 0.000 1.304 209 Q HN 0.101 nan 8.270 nan 0.000 0.438 210 P HA 0.009 nan 4.420 nan 0.000 0.246 210 P C -0.113 177.313 177.300 0.210 0.000 1.675 210 P CA 0.096 63.357 63.100 0.268 0.000 0.908 210 P CB -0.295 31.483 31.700 0.130 0.000 1.890 211 V N 1.870 121.930 119.914 0.243 0.000 2.488 211 V HA 0.158 4.279 4.120 0.001 0.000 0.277 211 V C 1.760 178.058 176.094 0.339 0.000 1.046 211 V CA 0.216 62.642 62.300 0.208 0.000 0.986 211 V CB 1.044 32.957 31.823 0.151 0.000 0.989 211 V HN 0.133 nan 8.190 nan 0.000 0.475 212 R N 2.193 122.831 120.500 0.230 0.000 2.373 212 R HA 0.156 4.496 4.340 0.001 0.000 0.221 212 R C 0.397 176.845 176.300 0.247 0.000 0.893 212 R CA -0.090 56.160 56.100 0.249 0.000 1.049 212 R CB 0.078 30.350 30.300 -0.046 0.000 1.119 212 R HN 0.828 nan 8.270 nan 0.000 0.535 213 D N 0.124 120.624 120.400 0.167 0.000 2.338 213 D HA -0.022 4.618 4.640 0.001 0.000 0.255 213 D C 0.989 177.369 176.300 0.134 0.000 1.237 213 D CA 0.037 54.112 54.000 0.125 0.000 0.883 213 D CB 0.741 41.588 40.800 0.079 0.000 1.087 213 D HN -0.133 nan 8.370 nan 0.000 0.485 214 M N 3.691 123.375 119.600 0.140 0.000 2.213 214 M HA -0.059 4.421 4.480 0.001 0.000 0.263 214 M C 1.947 178.283 176.300 0.061 0.000 1.062 214 M CA 1.101 56.464 55.300 0.106 0.000 1.105 214 M CB -1.320 31.343 32.600 0.105 0.000 1.385 214 M HN 0.620 nan 8.290 nan 0.000 0.417 215 A N -0.326 122.527 122.820 0.054 0.000 1.873 215 A HA -0.262 4.058 4.320 0.001 0.000 0.218 215 A C 2.112 179.714 177.584 0.029 0.000 1.193 215 A CA 1.954 54.012 52.037 0.035 0.000 0.629 215 A CB -0.689 18.330 19.000 0.032 0.000 0.826 215 A HN 0.614 nan 8.150 nan 0.000 0.447 216 Q N -0.684 119.138 119.800 0.037 0.000 1.942 216 Q HA -0.131 4.209 4.340 0.001 0.000 0.203 216 Q C 2.133 178.146 176.000 0.020 0.000 0.987 216 Q CA 1.417 57.237 55.803 0.029 0.000 0.844 216 Q CB -0.409 28.352 28.738 0.038 0.000 0.911 216 Q HN 0.600 nan 8.270 nan 0.000 0.423 217 I N 1.892 122.479 120.570 0.029 0.000 2.130 217 I HA -0.382 3.788 4.170 0.001 0.000 0.241 217 I C 1.890 177.999 176.117 -0.014 0.000 1.023 217 I CA 1.680 62.980 61.300 0.000 0.000 1.293 217 I CB -1.594 36.405 38.000 -0.002 0.000 1.001 217 I HN 0.328 nan 8.210 nan 0.000 0.407 218 N N 0.724 119.423 118.700 -0.002 0.000 2.149 218 N HA -0.201 4.540 4.740 0.001 0.000 0.188 218 N C 1.844 177.353 175.510 -0.003 0.000 1.019 218 N CA 1.212 54.259 53.050 -0.005 0.000 0.857 218 N CB -0.331 38.158 38.487 0.002 0.000 0.997 218 N HN 0.467 nan 8.380 nan 0.000 0.426 219 K N 0.908 121.309 120.400 0.001 0.000 1.991 219 K HA -0.089 4.232 4.320 0.001 0.000 0.212 219 K C 1.882 178.481 176.600 -0.002 0.000 1.049 219 K CA 1.173 57.461 56.287 0.001 0.000 0.932 219 K CB -0.051 32.451 32.500 0.003 0.000 0.717 219 K HN -0.106 nan 8.250 nan 0.000 0.441 220 V N 1.907 121.818 119.914 -0.005 0.000 2.255 220 V HA -0.289 3.832 4.120 0.001 0.000 0.247 220 V C 2.390 178.484 176.094 -0.000 0.000 1.051 220 V CA 1.849 64.144 62.300 -0.008 0.000 1.018 220 V CB -0.481 31.330 31.823 -0.021 0.000 0.641 220 V HN 0.398 nan 8.190 nan 0.000 0.445 221 L N -0.123 121.098 121.223 -0.002 0.000 2.012 221 L HA -0.221 4.119 4.340 0.001 0.000 0.210 221 L C 2.683 179.560 176.870 0.013 0.000 1.073 221 L CA 1.970 56.818 54.840 0.013 0.000 0.748 221 L CB -0.358 41.700 42.059 -0.001 0.000 0.891 221 L HN 0.388 nan 8.230 nan 0.000 0.431 222 S N -0.325 115.376 115.700 0.003 0.000 2.372 222 S HA -0.225 4.246 4.470 0.001 0.000 0.227 222 S C 1.874 176.475 174.600 0.001 0.000 1.044 222 S CA 1.393 59.593 58.200 0.000 0.000 1.050 222 S CB -0.181 63.017 63.200 -0.002 0.000 0.901 222 S HN 0.347 nan 8.310 nan 0.000 0.447 223 K N 1.340 121.742 120.400 0.003 0.000 2.026 223 K HA -0.070 4.251 4.320 0.001 0.000 0.208 223 K C 2.311 178.914 176.600 0.006 0.000 1.048 223 K CA 1.258 57.546 56.287 0.002 0.000 0.929 223 K CB -0.641 31.860 32.500 0.002 0.000 0.713 223 K HN 0.574 nan 8.250 nan 0.000 0.439 224 Q N 0.646 120.457 119.800 0.019 0.000 2.084 224 Q HA -0.114 4.226 4.340 0.001 0.000 0.202 224 Q C 2.092 178.088 176.000 -0.006 0.000 0.978 224 Q CA 1.849 57.669 55.803 0.027 0.000 0.844 224 Q CB -0.339 28.461 28.738 0.104 0.000 0.898 224 Q HN 0.299 nan 8.270 nan 0.000 0.426 225 V N -3.012 116.898 119.914 -0.007 0.000 3.406 225 V HA 0.341 4.462 4.120 0.001 0.000 0.263 225 V C 1.037 177.122 176.094 -0.015 0.000 1.172 225 V CA 0.491 62.779 62.300 -0.021 0.000 1.140 225 V CB -0.521 31.292 31.823 -0.016 0.000 0.784 225 V HN 0.406 nan 8.190 nan 0.000 0.467 226 G N 0.778 109.572 108.800 -0.009 0.000 2.385 226 G HA2 -0.249 3.711 3.960 0.001 0.000 0.294 226 G HA3 -0.249 3.711 3.960 0.001 0.000 0.294 226 G C -0.051 174.844 174.900 -0.008 0.000 1.070 226 G CA 0.681 45.776 45.100 -0.008 0.000 1.172 226 G HN 0.949 nan 8.290 nan 0.000 0.516 227 R N -0.672 119.824 120.500 -0.006 0.000 2.833 227 R HA 0.231 4.572 4.340 0.001 0.000 0.259 227 R C -1.089 175.207 176.300 -0.006 0.000 1.047 227 R CA -0.716 55.380 56.100 -0.007 0.000 0.916 227 R CB 0.743 31.039 30.300 -0.007 0.000 1.259 227 R HN 0.335 nan 8.270 nan 0.000 0.482 228 E N 4.116 124.312 120.200 -0.007 0.000 2.217 228 E HA 0.183 4.533 4.350 0.001 0.000 0.279 228 E C -0.505 176.089 176.600 -0.010 0.000 1.068 228 E CA -0.162 56.233 56.400 -0.008 0.000 0.882 228 E CB 0.562 30.257 29.700 -0.008 0.000 1.039 228 E HN 0.311 nan 8.360 nan 0.000 0.418 229 I N 4.603 125.168 120.570 -0.008 0.000 2.365 229 I HA 0.177 4.348 4.170 0.001 0.000 0.291 229 I C 0.667 176.777 176.117 -0.011 0.000 1.004 229 I CA -0.321 60.973 61.300 -0.010 0.000 1.311 229 I CB 1.508 39.503 38.000 -0.008 0.000 1.401 229 I HN 0.580 nan 8.210 nan 0.000 0.491 230 T N 1.824 116.369 114.554 -0.016 0.000 2.804 230 T HA 0.823 5.173 4.350 0.001 0.000 0.272 230 T C 0.193 174.884 174.700 -0.015 0.000 0.986 230 T CA -0.500 61.588 62.100 -0.019 0.000 0.999 230 T CB 1.373 70.219 68.868 -0.036 0.000 1.307 230 T HN 1.061 nan 8.240 nan 0.000 0.586 231 G N 0.684 109.473 108.800 -0.018 0.000 2.797 231 G HA2 -0.209 3.751 3.960 0.001 0.000 0.686 231 G HA3 -0.209 3.751 3.960 0.001 0.000 0.686 231 G C 0.317 175.228 174.900 0.019 0.000 1.452 231 G CA 0.059 45.156 45.100 -0.005 0.000 0.986 231 G HN 0.965 nan 8.290 nan 0.000 0.595 232 N N 1.601 120.323 118.700 0.037 0.000 2.038 232 N HA -0.025 4.715 4.740 0.001 0.000 0.192 232 N C -1.203 174.350 175.510 0.072 0.000 1.080 232 N CA 1.623 54.712 53.050 0.063 0.000 0.867 232 N CB -0.808 37.728 38.487 0.080 0.000 1.055 232 N HN 0.523 nan 8.380 nan 0.000 0.430 233 P HA 0.055 nan 4.420 nan 0.000 0.257 233 P C -0.206 177.111 177.300 0.029 0.000 1.227 233 P CA 0.136 63.283 63.100 0.079 0.000 0.981 233 P CB -0.659 31.100 31.700 0.099 0.000 1.044 234 G N 3.591 112.394 108.800 0.004 0.000 2.321 234 G HA2 0.156 4.117 3.960 0.001 0.000 0.237 234 G HA3 0.156 4.117 3.960 0.001 0.000 0.237 234 G C -0.028 174.867 174.900 -0.009 0.000 1.282 234 G CA -0.155 44.939 45.100 -0.009 0.000 0.886 234 G HN 0.444 nan 8.290 nan 0.000 0.528 235 S N 0.148 115.846 115.700 -0.004 0.000 2.651 235 S HA 0.675 5.145 4.470 0.001 0.000 0.291 235 S C -0.536 174.063 174.600 -0.001 0.000 1.141 235 S CA -0.434 57.766 58.200 0.000 0.000 1.027 235 S CB 1.751 64.951 63.200 0.000 0.000 1.043 235 S HN 0.523 nan 8.310 nan 0.000 0.530 236 I N 0.803 121.375 120.570 0.003 0.000 2.686 236 I HA 0.349 4.519 4.170 0.001 0.000 0.295 236 I C 0.227 176.345 176.117 0.001 0.000 1.114 236 I CA -0.005 61.296 61.300 0.003 0.000 1.038 236 I CB 2.232 40.237 38.000 0.008 0.000 1.238 236 I HN 0.641 nan 8.210 nan 0.000 0.420 237 T N 4.353 118.906 114.554 -0.002 0.000 2.813 237 T HA 0.138 4.489 4.350 0.001 0.000 0.297 237 T C 1.235 175.933 174.700 -0.003 0.000 1.036 237 T CA -0.074 62.024 62.100 -0.004 0.000 1.044 237 T CB 0.587 69.452 68.868 -0.004 0.000 0.993 237 T HN 0.635 nan 8.240 nan 0.000 0.535 238 M N 2.304 121.900 119.600 -0.007 0.000 2.073 238 M HA -0.085 4.396 4.480 0.001 0.000 0.258 238 M C 1.838 178.138 176.300 -0.000 0.000 1.070 238 M CA 2.106 57.401 55.300 -0.009 0.000 1.103 238 M CB -0.788 31.802 32.600 -0.015 0.000 1.321 238 M HN 0.754 nan 8.290 nan 0.000 0.405 239 E N 0.277 120.477 120.200 0.001 0.000 2.033 239 E HA -0.227 4.123 4.350 0.001 0.000 0.199 239 E C 2.003 178.608 176.600 0.008 0.000 1.011 239 E CA 2.073 58.477 56.400 0.006 0.000 0.815 239 E CB -0.569 29.133 29.700 0.003 0.000 0.755 239 E HN 0.645 nan 8.360 nan 0.000 0.451 240 E N 0.136 120.336 120.200 0.000 0.000 2.086 240 E HA -0.326 4.025 4.350 0.001 0.000 0.205 240 E C 1.974 178.572 176.600 -0.003 0.000 1.027 240 E CA 1.653 58.050 56.400 -0.006 0.000 0.830 240 E CB -0.304 29.390 29.700 -0.009 0.000 0.751 240 E HN 0.322 nan 8.360 nan 0.000 0.456 241 A N 0.190 123.014 122.820 0.008 0.000 1.892 241 A HA -0.275 4.045 4.320 0.001 0.000 0.218 241 A C 2.401 180.020 177.584 0.060 0.000 1.188 241 A CA 2.345 54.396 52.037 0.023 0.000 0.631 241 A CB -1.154 17.857 19.000 0.019 0.000 0.822 241 A HN 0.292 nan 8.150 nan 0.000 0.447 242 T N 0.175 114.766 114.554 0.062 0.000 2.622 242 T HA -0.206 4.145 4.350 0.001 0.000 0.266 242 T C 2.239 177.016 174.700 0.129 0.000 1.047 242 T CA 2.858 65.030 62.100 0.121 0.000 1.159 242 T CB -1.011 67.906 68.868 0.081 0.000 0.863 242 T HN 0.869 nan 8.240 nan 0.000 0.422 243 T N 2.119 116.704 114.554 0.051 0.000 2.580 243 T HA -0.161 4.189 4.350 0.001 0.000 0.265 243 T C 2.002 176.701 174.700 -0.001 0.000 1.063 243 T CA 1.495 63.604 62.100 0.014 0.000 1.170 243 T CB -1.158 67.703 68.868 -0.011 0.000 0.863 243 T HN 0.277 nan 8.240 nan 0.000 0.418 244 L N -0.097 121.099 121.223 -0.044 0.000 2.054 244 L HA -0.146 4.195 4.340 0.001 0.000 0.220 244 L C 2.547 179.407 176.870 -0.018 0.000 1.081 244 L CA 2.293 57.041 54.840 -0.154 0.000 0.780 244 L CB -0.805 41.057 42.059 -0.329 0.000 0.893 244 L HN 0.275 nan 8.230 nan 0.000 0.438 245 F N 0.877 120.802 119.950 -0.042 0.000 2.051 245 F HA -0.216 4.311 4.527 0.001 0.000 0.296 245 F C 2.464 178.293 175.800 0.048 0.000 1.122 245 F CA 1.885 59.917 58.000 0.053 0.000 1.201 245 F CB -0.501 38.518 39.000 0.032 0.000 0.978 245 F HN 0.078 nan 8.300 nan 0.000 0.472 246 E N 0.013 120.081 120.200 -0.220 0.000 2.114 246 E HA -0.308 4.043 4.350 0.001 0.000 0.199 246 E C 2.424 178.889 176.600 -0.225 0.000 1.008 246 E CA 1.488 57.695 56.400 -0.321 0.000 0.810 246 E CB -0.404 29.222 29.700 -0.124 0.000 0.739 246 E HN 0.412 nan 8.360 nan 0.000 0.456 247 R N 1.052 121.481 120.500 -0.117 0.000 2.062 247 R HA -0.157 4.184 4.340 0.001 0.000 0.231 247 R C 1.727 178.002 176.300 -0.042 0.000 1.136 247 R CA 1.674 57.730 56.100 -0.072 0.000 0.948 247 R CB -0.118 30.151 30.300 -0.052 0.000 0.845 247 R HN 0.138 nan 8.270 nan 0.000 0.430 248 D N 0.718 121.129 120.400 0.018 0.000 2.221 248 D HA -0.173 4.467 4.640 0.001 0.000 0.204 248 D C 1.829 178.245 176.300 0.194 0.000 0.982 248 D CA 0.854 54.942 54.000 0.146 0.000 0.857 248 D CB 0.118 41.131 40.800 0.355 0.000 0.934 248 D HN 0.181 nan 8.370 nan 0.000 0.475 249 L N 0.956 122.153 121.223 -0.043 0.000 2.068 249 L HA 0.003 4.344 4.340 0.001 0.000 0.204 249 L C 2.252 179.063 176.870 -0.098 0.000 1.076 249 L CA 1.495 56.236 54.840 -0.166 0.000 0.753 249 L CB -0.819 40.887 42.059 -0.589 0.000 0.910 249 L HN -0.105 nan 8.230 nan 0.000 0.439 250 A N -0.486 122.265 122.820 -0.115 0.000 1.835 250 A HA -0.260 4.060 4.320 0.001 0.000 0.215 250 A C 1.987 179.534 177.584 -0.061 0.000 1.199 250 A CA 1.981 53.967 52.037 -0.085 0.000 0.615 250 A CB -1.196 17.757 19.000 -0.078 0.000 0.838 250 A HN 0.490 nan 8.150 nan 0.000 0.444 251 D N -0.850 119.524 120.400 -0.043 0.000 2.191 251 D HA -0.249 4.391 4.640 0.001 0.000 0.190 251 D C 1.873 178.146 176.300 -0.044 0.000 1.007 251 D CA 1.938 55.916 54.000 -0.037 0.000 0.865 251 D CB -0.278 40.507 40.800 -0.024 0.000 0.929 251 D HN 0.425 nan 8.370 nan 0.000 0.447 252 M N 0.206 119.794 119.600 -0.019 0.000 2.067 252 M HA -0.201 4.279 4.480 0.001 0.000 0.260 252 M C 1.762 178.002 176.300 -0.100 0.000 1.069 252 M CA 1.642 56.925 55.300 -0.027 0.000 1.117 252 M CB -0.374 32.282 32.600 0.093 0.000 1.334 252 M HN 0.033 nan 8.290 nan 0.000 0.407 253 Q N -0.170 119.565 119.800 -0.108 0.000 2.297 253 Q HA -0.207 4.134 4.340 0.001 0.000 0.208 253 Q C 1.983 177.853 176.000 -0.217 0.000 0.981 253 Q CA 1.892 57.580 55.803 -0.191 0.000 0.876 253 Q CB -0.225 28.431 28.738 -0.135 0.000 0.921 253 Q HN 0.667 nan 8.270 nan 0.000 0.446 254 R N -0.087 120.329 120.500 -0.141 0.000 2.090 254 R HA -0.029 4.312 4.340 0.001 0.000 0.219 254 R C 0.870 177.103 176.300 -0.112 0.000 1.100 254 R CA 1.226 57.256 56.100 -0.117 0.000 0.991 254 R CB -0.059 30.198 30.300 -0.071 0.000 0.893 254 R HN 0.024 nan 8.270 nan 0.000 0.443 255 D N 0.710 121.054 120.400 -0.093 0.000 2.371 255 D HA -0.058 4.583 4.640 0.001 0.000 0.221 255 D C 1.514 177.768 176.300 -0.076 0.000 0.986 255 D CA 0.515 54.482 54.000 -0.056 0.000 0.899 255 D CB 0.138 40.916 40.800 -0.037 0.000 0.902 255 D HN 0.255 nan 8.370 nan 0.000 0.530 256 I N 0.622 121.077 120.570 -0.191 0.000 2.494 256 I HA -0.082 4.088 4.170 0.001 0.000 0.250 256 I C 1.647 177.576 176.117 -0.313 0.000 1.112 256 I CA 1.079 62.202 61.300 -0.295 0.000 1.438 256 I CB 0.191 37.896 38.000 -0.492 0.000 1.111 256 I HN -0.252 nan 8.210 nan 0.000 0.431 257 K N -0.065 120.108 120.400 -0.379 0.000 2.365 257 K HA 0.054 4.374 4.320 0.001 0.000 0.199 257 K C 1.092 177.673 176.600 -0.031 0.000 1.045 257 K CA 1.157 57.297 56.287 -0.244 0.000 0.962 257 K CB -0.144 32.215 32.500 -0.236 0.000 0.759 257 K HN 0.419 nan 8.250 nan 0.000 0.469 258 S N 0.192 115.875 115.700 -0.029 0.000 2.526 258 S HA 0.088 4.558 4.470 0.001 0.000 0.245 258 S C -0.385 174.239 174.600 0.040 0.000 1.103 258 S CA -0.815 57.391 58.200 0.010 0.000 1.095 258 S CB -0.169 63.025 63.200 -0.010 0.000 0.826 258 S HN 0.173 nan 8.310 nan 0.000 0.468 259 H N 1.140 120.194 119.070 -0.027 0.000 2.466 259 H HA 0.441 4.998 4.556 0.001 0.000 0.338 259 H C 0.646 175.981 175.328 0.011 0.000 1.091 259 H CA -0.147 55.892 56.048 -0.015 0.000 1.207 259 H CB 2.047 31.792 29.762 -0.027 0.000 1.466 259 H HN 0.278 nan 8.280 nan 0.000 0.493 260 S N 4.147 119.642 115.700 -0.342 0.000 2.392 260 S HA -0.236 4.235 4.470 0.001 0.000 0.225 260 S C 1.883 176.498 174.600 0.025 0.000 1.041 260 S CA 1.699 59.804 58.200 -0.158 0.000 1.100 260 S CB -0.009 63.053 63.200 -0.230 0.000 1.029 260 S HN 0.671 nan 8.310 nan 0.000 0.424 261 K N 0.419 120.892 120.400 0.122 0.000 2.116 261 K HA 0.033 4.354 4.320 0.001 0.000 0.203 261 K C 2.036 178.790 176.600 0.257 0.000 1.052 261 K CA 0.824 57.236 56.287 0.209 0.000 0.952 261 K CB -0.077 32.559 32.500 0.227 0.000 0.729 261 K HN 0.193 nan 8.250 nan 0.000 0.446 262 V N 0.258 120.432 119.914 0.433 0.000 2.273 262 V HA -0.082 4.039 4.120 0.001 0.000 0.242 262 V C 2.321 178.537 176.094 0.204 0.000 1.035 262 V CA 1.881 64.296 62.300 0.191 0.000 1.013 262 V CB -0.972 30.799 31.823 -0.088 0.000 0.652 262 V HN 0.550 nan 8.190 nan 0.000 0.452 263 G N 1.938 110.871 108.800 0.221 0.000 2.679 263 G HA2 -0.303 3.657 3.960 0.001 0.000 0.222 263 G HA3 -0.303 3.657 3.960 0.001 0.000 0.222 263 G C 0.163 175.218 174.900 0.258 0.000 1.164 263 G CA 1.699 46.924 45.100 0.208 0.000 0.769 263 G HN 0.564 nan 8.290 nan 0.000 0.610 264 P HA -0.055 nan 4.420 nan 0.000 0.214 264 P C 2.137 179.536 177.300 0.165 0.000 1.162 264 P CA 1.601 64.794 63.100 0.155 0.000 0.879 264 P CB -0.416 31.350 31.700 0.110 0.000 0.786 265 V N -0.780 119.237 119.914 0.171 0.000 2.317 265 V HA -0.226 3.895 4.120 0.001 0.000 0.251 265 V C 2.502 178.714 176.094 0.198 0.000 1.065 265 V CA 2.238 64.638 62.300 0.167 0.000 1.049 265 V CB -1.622 30.297 31.823 0.160 0.000 0.651 265 V HN 0.153 nan 8.190 nan 0.000 0.450 266 W N 0.606 121.931 121.300 0.042 0.000 2.352 266 W HA -0.238 4.423 4.660 0.001 0.000 0.322 266 W C 2.700 179.237 176.519 0.030 0.000 1.208 266 W CA 2.017 59.378 57.345 0.026 0.000 1.286 266 W CB -0.575 28.893 29.460 0.014 0.000 1.167 266 W HN 0.182 nan 8.180 nan 0.000 0.469 267 Q N -0.056 119.772 119.800 0.047 0.000 2.297 267 Q HA -0.187 4.154 4.340 0.001 0.000 0.208 267 Q C 2.049 177.933 176.000 -0.194 0.000 0.981 267 Q CA 1.915 57.571 55.803 -0.245 0.000 0.876 267 Q CB -0.378 28.401 28.738 0.067 0.000 0.921 267 Q HN 0.365 nan 8.270 nan 0.000 0.446 268 A N -0.217 122.563 122.820 -0.067 0.000 2.021 268 A HA 0.099 4.420 4.320 0.001 0.000 0.216 268 A C 1.078 178.649 177.584 -0.021 0.000 1.163 268 A CA 0.616 52.638 52.037 -0.024 0.000 0.676 268 A CB -0.210 18.813 19.000 0.038 0.000 0.818 268 A HN 0.294 nan 8.150 nan 0.000 0.453 269 V N -1.744 118.143 119.914 -0.045 0.000 3.403 269 V HA 0.380 4.500 4.120 0.001 0.000 0.305 269 V C 0.386 176.402 176.094 -0.129 0.000 1.060 269 V CA -0.910 61.384 62.300 -0.009 0.000 1.053 269 V CB 0.120 31.960 31.823 0.028 0.000 1.198 269 V HN 0.361 nan 8.190 nan 0.000 0.447 270 N N -0.088 118.542 118.700 -0.118 0.000 2.371 270 N HA 0.096 4.836 4.740 0.001 0.000 0.243 270 N C 0.836 176.236 175.510 -0.184 0.000 1.287 270 N CA 0.238 53.200 53.050 -0.148 0.000 0.911 270 N CB 0.741 39.130 38.487 -0.163 0.000 1.142 270 N HN 0.788 nan 8.380 nan 0.000 0.451 271 R N 0.832 121.236 120.500 -0.159 0.000 2.070 271 R HA -0.003 4.337 4.340 0.001 0.000 0.233 271 R C 1.818 178.050 176.300 -0.113 0.000 1.137 271 R CA 1.945 57.960 56.100 -0.142 0.000 0.945 271 R CB -0.887 29.351 30.300 -0.103 0.000 0.845 271 R HN 0.653 nan 8.270 nan 0.000 0.430 272 S N 0.432 116.060 115.700 -0.119 0.000 2.359 272 S HA -0.178 4.293 4.470 0.001 0.000 0.223 272 S C 1.895 176.421 174.600 -0.124 0.000 1.039 272 S CA 1.743 59.870 58.200 -0.123 0.000 1.042 272 S CB -0.316 62.804 63.200 -0.134 0.000 0.915 272 S HN 0.388 nan 8.310 nan 0.000 0.439 273 R N 0.820 121.224 120.500 -0.160 0.000 2.120 273 R HA -0.036 4.305 4.340 0.001 0.000 0.234 273 R C 2.573 178.840 176.300 -0.055 0.000 1.123 273 R CA 0.956 56.964 56.100 -0.154 0.000 0.975 273 R CB -0.274 29.867 30.300 -0.265 0.000 0.866 273 R HN 0.533 nan 8.270 nan 0.000 0.446 274 Q N 0.200 119.966 119.800 -0.057 0.000 2.084 274 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 274 Q C 2.166 178.294 176.000 0.213 0.000 0.978 274 Q CA 1.394 57.245 55.803 0.080 0.000 0.844 274 Q CB 0.032 28.699 28.738 -0.117 0.000 0.898 274 Q HN 0.375 nan 8.270 nan 0.000 0.426 275 M N -0.412 119.234 119.600 0.076 0.000 2.159 275 M HA -0.145 4.335 4.480 0.001 0.000 0.263 275 M C 2.324 178.633 176.300 0.015 0.000 1.063 275 M CA 1.237 56.559 55.300 0.037 0.000 1.110 275 M CB -0.329 32.238 32.600 -0.055 0.000 1.374 275 M HN 0.197 nan 8.290 nan 0.000 0.411 276 A N 0.915 123.734 122.820 -0.001 0.000 1.883 276 A HA -0.149 4.171 4.320 0.001 0.000 0.217 276 A C 2.115 179.711 177.584 0.020 0.000 1.186 276 A CA 1.507 53.553 52.037 0.014 0.000 0.624 276 A CB -0.934 18.070 19.000 0.007 0.000 0.822 276 A HN 0.457 nan 8.150 nan 0.000 0.444 277 L N -0.782 120.465 121.223 0.039 0.000 2.056 277 L HA -0.191 4.150 4.340 0.001 0.000 0.207 277 L C 2.631 179.499 176.870 -0.003 0.000 1.078 277 L CA 1.601 56.449 54.840 0.013 0.000 0.749 277 L CB -0.675 41.448 42.059 0.108 0.000 0.901 277 L HN 0.477 nan 8.230 nan 0.000 0.433 278 E N 0.071 120.296 120.200 0.041 0.000 2.077 278 E HA -0.253 4.098 4.350 0.001 0.000 0.193 278 E C 1.799 178.442 176.600 0.071 0.000 0.989 278 E CA 1.487 57.894 56.400 0.013 0.000 0.800 278 E CB -0.251 29.462 29.700 0.023 0.000 0.746 278 E HN 0.479 nan 8.360 nan 0.000 0.452 279 N N 0.787 119.531 118.700 0.073 0.000 2.025 279 N HA -0.186 4.554 4.740 0.001 0.000 0.194 279 N C 1.943 177.545 175.510 0.152 0.000 1.044 279 N CA 1.421 54.549 53.050 0.131 0.000 0.851 279 N CB -0.039 38.523 38.487 0.125 0.000 1.036 279 N HN 0.034 nan 8.380 nan 0.000 0.422 280 M N -0.191 119.428 119.600 0.032 0.000 2.108 280 M HA -0.176 4.304 4.480 0.001 0.000 0.261 280 M C 2.043 178.286 176.300 -0.095 0.000 1.066 280 M CA 1.768 56.993 55.300 -0.125 0.000 1.107 280 M CB -0.168 32.191 32.600 -0.402 0.000 1.356 280 M HN 0.407 nan 8.290 nan 0.000 0.406 281 A N -0.528 122.256 122.820 -0.060 0.000 1.902 281 A HA -0.212 4.108 4.320 0.001 0.000 0.217 281 A C 1.910 179.502 177.584 0.013 0.000 1.181 281 A CA 1.421 53.422 52.037 -0.060 0.000 0.623 281 A CB -1.035 17.914 19.000 -0.085 0.000 0.818 281 A HN 0.598 nan 8.150 nan 0.000 0.443 282 F N 0.476 120.409 119.950 -0.028 0.000 2.134 282 F HA -0.177 4.351 4.527 0.001 0.000 0.299 282 F C 2.471 178.300 175.800 0.049 0.000 1.097 282 F CA 2.192 60.202 58.000 0.018 0.000 1.264 282 F CB -0.297 38.741 39.000 0.062 0.000 1.001 282 F HN 0.385 nan 8.300 nan 0.000 0.479 283 Q N 0.236 120.143 119.800 0.179 0.000 2.050 283 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 283 Q C 1.901 177.908 176.000 0.013 0.000 0.980 283 Q CA 2.361 58.242 55.803 0.130 0.000 0.840 283 Q CB -0.133 28.765 28.738 0.266 0.000 0.898 283 Q HN 0.648 nan 8.270 nan 0.000 0.424 284 M N -2.905 116.687 119.600 -0.013 0.000 2.300 284 M HA 0.421 4.902 4.480 0.001 0.000 0.313 284 M C 0.243 176.506 176.300 -0.062 0.000 0.988 284 M CA 0.423 55.716 55.300 -0.013 0.000 1.012 284 M CB 1.655 34.269 32.600 0.023 0.000 1.586 284 M HN 0.096 nan 8.290 nan 0.000 0.562 285 G N 1.298 110.039 108.800 -0.098 0.000 2.785 285 G HA2 -0.177 3.783 3.960 0.001 0.000 0.686 285 G HA3 -0.177 3.783 3.960 0.001 0.000 0.686 285 G C -0.120 174.715 174.900 -0.107 0.000 1.155 285 G CA -0.335 44.703 45.100 -0.103 0.000 0.760 285 G HN 0.302 nan 8.290 nan 0.000 0.624 286 V N 2.324 122.160 119.914 -0.130 0.000 2.568 286 V HA 0.052 4.173 4.120 0.001 0.000 0.253 286 V C 2.651 178.588 176.094 -0.261 0.000 1.072 286 V CA 3.309 65.479 62.300 -0.217 0.000 1.084 286 V CB -0.755 30.920 31.823 -0.246 0.000 0.676 286 V HN 1.900 nan 8.190 nan 0.000 0.469 287 G N -0.725 108.003 108.800 -0.121 0.000 2.443 287 G HA2 -0.093 3.868 3.960 0.001 0.000 0.219 287 G HA3 -0.093 3.868 3.960 0.001 0.000 0.219 287 G C 1.458 176.342 174.900 -0.027 0.000 1.131 287 G CA 0.745 45.823 45.100 -0.036 0.000 0.775 287 G HN 0.659 nan 8.290 nan 0.000 0.547 288 G N 0.227 109.008 108.800 -0.032 0.000 2.395 288 G HA2 -0.104 3.857 3.960 0.001 0.000 0.214 288 G HA3 -0.104 3.857 3.960 0.001 0.000 0.214 288 G C 1.769 176.735 174.900 0.109 0.000 1.177 288 G CA 1.048 46.165 45.100 0.028 0.000 0.794 288 G HN 0.381 nan 8.290 nan 0.000 0.532 289 V N 1.640 121.566 119.914 0.020 0.000 2.392 289 V HA -0.101 4.020 4.120 0.001 0.000 0.249 289 V C 3.084 179.280 176.094 0.169 0.000 1.059 289 V CA 2.551 64.877 62.300 0.044 0.000 1.051 289 V CB -0.764 30.957 31.823 -0.170 0.000 0.658 289 V HN 0.450 nan 8.190 nan 0.000 0.455 290 A N 0.843 123.673 122.820 0.016 0.000 1.903 290 A HA -0.284 4.037 4.320 0.001 0.000 0.219 290 A C 2.101 179.750 177.584 0.109 0.000 1.191 290 A CA 2.343 54.408 52.037 0.048 0.000 0.638 290 A CB -0.710 18.317 19.000 0.046 0.000 0.823 290 A HN 0.615 nan 8.150 nan 0.000 0.451 291 K N -0.420 120.024 120.400 0.074 0.000 2.366 291 K HA -0.149 4.171 4.320 0.001 0.000 0.202 291 K C 0.038 176.575 176.600 -0.104 0.000 1.045 291 K CA 0.644 56.908 56.287 -0.039 0.000 0.934 291 K CB -0.832 31.586 32.500 -0.137 0.000 0.746 291 K HN 0.545 nan 8.250 nan 0.000 0.470 292 F N 2.475 122.414 119.950 -0.018 0.000 2.661 292 F HA 0.066 4.593 4.527 0.001 0.000 0.356 292 F C 1.226 177.035 175.800 0.015 0.000 1.244 292 F CA -0.604 57.393 58.000 -0.005 0.000 1.290 292 F CB -0.518 38.461 39.000 -0.034 0.000 1.677 292 F HN -0.025 nan 8.300 nan 0.000 0.649 293 N N 0.521 119.284 118.700 0.104 0.000 2.004 293 N HA -0.187 4.554 4.740 0.001 0.000 0.196 293 N C 1.993 177.565 175.510 0.102 0.000 1.064 293 N CA 2.222 55.325 53.050 0.088 0.000 0.855 293 N CB -0.651 37.863 38.487 0.045 0.000 1.056 293 N HN 0.287 nan 8.380 nan 0.000 0.423 294 T N 1.246 115.852 114.554 0.087 0.000 2.624 294 T HA -0.327 4.024 4.350 0.001 0.000 0.266 294 T C 1.829 176.598 174.700 0.115 0.000 1.050 294 T CA 1.943 64.095 62.100 0.087 0.000 1.163 294 T CB -0.456 68.460 68.868 0.080 0.000 0.861 294 T HN 0.298 nan 8.240 nan 0.000 0.443 295 M N 0.025 119.723 119.600 0.164 0.000 2.067 295 M HA -0.068 4.413 4.480 0.001 0.000 0.260 295 M C 2.160 178.552 176.300 0.154 0.000 1.069 295 M CA 1.623 57.027 55.300 0.173 0.000 1.117 295 M CB -0.259 32.465 32.600 0.206 0.000 1.334 295 M HN 0.178 nan 8.290 nan 0.000 0.407 296 L N 0.389 121.703 121.223 0.152 0.000 2.131 296 L HA -0.158 4.182 4.340 0.001 0.000 0.210 296 L C 2.308 179.245 176.870 0.112 0.000 1.092 296 L CA 1.856 56.774 54.840 0.129 0.000 0.759 296 L CB -1.001 41.135 42.059 0.127 0.000 0.903 296 L HN 0.366 nan 8.230 nan 0.000 0.435 297 T N -1.035 113.576 114.554 0.095 0.000 2.770 297 T HA -0.084 4.267 4.350 0.001 0.000 0.263 297 T C 1.828 176.554 174.700 0.043 0.000 1.039 297 T CA 1.122 63.261 62.100 0.063 0.000 1.142 297 T CB -0.299 68.600 68.868 0.052 0.000 0.868 297 T HN 0.415 nan 8.240 nan 0.000 0.435 298 A N 0.925 123.779 122.820 0.055 0.000 2.125 298 A HA 0.010 4.330 4.320 0.001 0.000 0.219 298 A C 2.211 179.791 177.584 -0.007 0.000 1.156 298 A CA 1.173 53.223 52.037 0.023 0.000 0.671 298 A CB -0.671 18.368 19.000 0.065 0.000 0.794 298 A HN 0.466 nan 8.150 nan 0.000 0.459 299 M N -1.117 118.538 119.600 0.092 0.000 2.248 299 M HA 0.045 4.525 4.480 0.001 0.000 0.265 299 M C 1.989 178.303 176.300 0.024 0.000 1.079 299 M CA 1.015 56.431 55.300 0.193 0.000 1.150 299 M CB -0.313 32.497 32.600 0.349 0.000 1.366 299 M HN 0.364 nan 8.290 nan 0.000 0.433 300 L N -0.075 121.168 121.223 0.033 0.000 2.046 300 L HA -0.143 4.197 4.340 0.001 0.000 0.208 300 L C 2.574 179.394 176.870 -0.084 0.000 1.077 300 L CA 1.131 55.974 54.840 0.005 0.000 0.747 300 L CB -0.721 41.354 42.059 0.027 0.000 0.896 300 L HN 0.284 nan 8.230 nan 0.000 0.432 301 A N -0.502 122.249 122.820 -0.115 0.000 2.209 301 A HA 0.155 4.476 4.320 0.001 0.000 0.212 301 A C 1.813 179.214 177.584 -0.304 0.000 1.158 301 A CA 0.850 52.794 52.037 -0.155 0.000 0.742 301 A CB -0.656 18.278 19.000 -0.110 0.000 0.790 301 A HN 0.572 nan 8.150 nan 0.000 0.472 302 G N -0.396 108.089 108.800 -0.525 0.000 2.155 302 G HA2 -0.288 3.672 3.960 0.001 0.000 0.257 302 G HA3 -0.288 3.672 3.960 0.001 0.000 0.257 302 G C 0.249 174.458 174.900 -1.151 0.000 0.983 302 G CA 0.489 44.928 45.100 -1.101 0.000 0.676 302 G HN 0.552 nan 8.290 nan 0.000 0.528 303 D N 0.063 120.110 120.400 -0.589 0.000 2.801 303 D HA 0.180 4.820 4.640 0.001 0.000 0.232 303 D C 1.584 177.819 176.300 -0.109 0.000 1.128 303 D CA -0.491 53.327 54.000 -0.303 0.000 1.003 303 D CB -0.731 39.991 40.800 -0.130 0.000 1.110 303 D HN 0.633 nan 8.370 nan 0.000 0.477 304 W N 0.910 122.231 121.300 0.035 0.000 2.290 304 W HA -0.257 4.404 4.660 0.001 0.000 0.323 304 W C 2.214 178.777 176.519 0.073 0.000 1.260 304 W CA 0.662 58.034 57.345 0.046 0.000 1.266 304 W CB -0.230 29.238 29.460 0.014 0.000 1.149 304 W HN 0.304 nan 8.180 nan 0.000 0.482 305 E N 0.680 121.041 120.200 0.267 0.000 2.273 305 E HA -0.271 4.079 4.350 0.001 0.000 0.198 305 E C 2.077 178.812 176.600 0.225 0.000 1.002 305 E CA 1.456 57.970 56.400 0.189 0.000 0.828 305 E CB -0.109 29.655 29.700 0.107 0.000 0.747 305 E HN 0.254 nan 8.360 nan 0.000 0.491 306 K N -0.574 119.935 120.400 0.181 0.000 2.141 306 K HA 0.051 4.372 4.320 0.001 0.000 0.202 306 K C 2.085 178.797 176.600 0.188 0.000 1.045 306 K CA 0.725 57.102 56.287 0.150 0.000 0.971 306 K CB -0.074 32.475 32.500 0.083 0.000 0.795 306 K HN 0.098 nan 8.250 nan 0.000 0.459 307 A N 0.788 123.742 122.820 0.225 0.000 1.948 307 A HA -0.236 4.085 4.320 0.001 0.000 0.220 307 A C 2.046 179.784 177.584 0.257 0.000 1.177 307 A CA 1.653 53.836 52.037 0.244 0.000 0.636 307 A CB -0.911 18.290 19.000 0.335 0.000 0.815 307 A HN 0.617 nan 8.150 nan 0.000 0.449 308 Y N 0.441 120.831 120.300 0.151 0.000 2.133 308 Y HA -0.174 4.376 4.550 0.001 0.000 0.287 308 Y C 2.329 178.269 175.900 0.067 0.000 1.134 308 Y CA 2.322 60.487 58.100 0.109 0.000 1.133 308 Y CB -0.310 38.214 38.460 0.106 0.000 0.987 308 Y HN 0.280 nan 8.280 nan 0.000 0.502 309 K N 0.257 120.741 120.400 0.140 0.000 2.211 309 K HA -0.173 4.147 4.320 0.001 0.000 0.204 309 K C 2.026 178.612 176.600 -0.023 0.000 1.047 309 K CA 1.070 57.353 56.287 -0.005 0.000 0.935 309 K CB -0.312 32.246 32.500 0.098 0.000 0.728 309 K HN 0.456 nan 8.250 nan 0.000 0.452 310 A N 0.761 123.618 122.820 0.062 0.000 1.840 310 A HA 0.014 4.334 4.320 0.001 0.000 0.214 310 A C 2.377 180.056 177.584 0.158 0.000 1.198 310 A CA 1.532 53.636 52.037 0.112 0.000 0.608 310 A CB -1.269 17.825 19.000 0.156 0.000 0.839 310 A HN 0.484 nan 8.150 nan 0.000 0.443 311 G N -0.196 108.693 108.800 0.149 0.000 2.491 311 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 311 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 311 G C 1.669 176.706 174.900 0.229 0.000 1.180 311 G CA 0.976 46.222 45.100 0.244 0.000 0.774 311 G HN 0.543 nan 8.290 nan 0.000 0.562 312 R N 0.217 120.593 120.500 -0.207 0.000 2.293 312 R HA -0.033 4.307 4.340 0.001 0.000 0.219 312 R C 0.927 177.038 176.300 -0.316 0.000 1.091 312 R CA 0.829 56.499 56.100 -0.717 0.000 1.004 312 R CB -0.035 29.579 30.300 -1.143 0.000 0.865 312 R HN 0.222 nan 8.270 nan 0.000 0.469 313 D N 1.384 121.748 120.400 -0.061 0.000 2.706 313 D HA 0.017 4.658 4.640 0.001 0.000 0.236 313 D C -0.607 175.770 176.300 0.128 0.000 1.231 313 D CA 0.034 54.046 54.000 0.019 0.000 0.828 313 D CB 0.152 40.961 40.800 0.015 0.000 1.015 313 D HN 0.117 nan 8.370 nan 0.000 0.484 314 S N -1.099 114.750 115.700 0.248 0.000 2.634 314 S HA 0.277 4.747 4.470 0.001 0.000 0.296 314 S C 0.852 175.636 174.600 0.307 0.000 1.104 314 S CA -0.815 57.573 58.200 0.314 0.000 0.920 314 S CB 1.831 65.397 63.200 0.610 0.000 1.111 314 S HN -0.003 nan 8.310 nan 0.000 0.493 315 L N 0.745 122.111 121.223 0.239 0.000 2.083 315 L HA 0.118 4.458 4.340 0.001 0.000 0.209 315 L C 1.965 178.984 176.870 0.247 0.000 1.083 315 L CA 1.932 56.886 54.840 0.190 0.000 0.752 315 L CB -0.973 41.169 42.059 0.138 0.000 0.899 315 L HN 0.935 nan 8.230 nan 0.000 0.433 316 W N -0.569 120.853 121.300 0.203 0.000 2.335 316 W HA -0.324 4.337 4.660 0.001 0.000 0.311 316 W C 2.486 179.109 176.519 0.173 0.000 1.213 316 W CA 2.135 59.608 57.345 0.214 0.000 1.274 316 W CB -0.957 28.713 29.460 0.350 0.000 1.148 316 W HN 0.378 nan 8.180 nan 0.000 0.498 317 Y N 1.613 121.765 120.300 -0.246 0.000 2.224 317 Y HA -0.280 4.271 4.550 0.001 0.000 0.289 317 Y C 2.799 178.471 175.900 -0.380 0.000 1.146 317 Y CA 2.762 60.444 58.100 -0.696 0.000 1.182 317 Y CB -0.979 37.315 38.460 -0.276 0.000 0.983 317 Y HN 0.291 nan 8.280 nan 0.000 0.524 318 Q N 0.556 120.325 119.800 -0.051 0.000 2.124 318 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 318 Q C 1.360 177.246 176.000 -0.190 0.000 0.977 318 Q CA 1.877 57.636 55.803 -0.075 0.000 0.850 318 Q CB -0.165 28.602 28.738 0.049 0.000 0.901 318 Q HN 0.774 nan 8.270 nan 0.000 0.429 319 Q N -1.314 118.383 119.800 -0.171 0.000 2.237 319 Q HA 0.173 4.513 4.340 0.001 0.000 0.252 319 Q C -0.069 175.808 176.000 -0.206 0.000 0.877 319 Q CA 0.183 55.900 55.803 -0.142 0.000 1.011 319 Q CB 0.969 29.681 28.738 -0.043 0.000 1.118 319 Q HN 0.043 nan 8.270 nan 0.000 0.458 320 T N -0.127 114.195 114.554 -0.387 0.000 3.131 320 T HA 0.011 4.361 4.350 0.001 0.000 0.283 320 T C -0.548 173.882 174.700 -0.450 0.000 0.906 320 T CA -0.487 61.377 62.100 -0.392 0.000 0.882 320 T CB 0.401 68.923 68.868 -0.578 0.000 1.208 320 T HN 0.400 nan 8.240 nan 0.000 0.561 321 K N 2.426 122.478 120.400 -0.580 0.000 2.396 321 K HA -0.090 4.230 4.320 0.001 0.000 0.248 321 K C 1.084 177.463 176.600 -0.370 0.000 1.076 321 K CA 1.488 57.421 56.287 -0.591 0.000 1.162 321 K CB -0.984 31.268 32.500 -0.414 0.000 0.743 321 K HN 0.473 nan 8.250 nan 0.000 0.490 322 G N 3.452 112.047 108.800 -0.342 0.000 2.604 322 G HA2 -0.347 3.613 3.960 0.001 0.000 0.205 322 G HA3 -0.347 3.613 3.960 0.001 0.000 0.205 322 G C 1.088 175.878 174.900 -0.184 0.000 1.186 322 G CA 0.337 45.314 45.100 -0.204 0.000 0.753 322 G HN 0.698 nan 8.290 nan 0.000 0.526 323 R N 1.239 121.624 120.500 -0.192 0.000 2.057 323 R HA 0.444 4.785 4.340 0.001 0.000 0.224 323 R C 2.958 179.225 176.300 -0.056 0.000 1.136 323 R CA 1.847 57.883 56.100 -0.108 0.000 0.968 323 R CB -0.438 29.835 30.300 -0.045 0.000 0.863 323 R HN 0.684 nan 8.270 nan 0.000 0.433 324 A N 0.320 122.992 122.820 -0.246 0.000 1.978 324 A HA -0.168 4.153 4.320 0.001 0.000 0.220 324 A C 2.175 179.758 177.584 -0.002 0.000 1.170 324 A CA 1.885 53.716 52.037 -0.343 0.000 0.636 324 A CB -0.758 17.420 19.000 -1.371 0.000 0.810 324 A HN 0.486 nan 8.150 nan 0.000 0.448 325 S N -0.654 114.995 115.700 -0.086 0.000 2.359 325 S HA -0.191 4.280 4.470 0.001 0.000 0.224 325 S C 2.193 176.902 174.600 0.182 0.000 1.035 325 S CA 1.573 59.881 58.200 0.181 0.000 1.018 325 S CB -0.293 62.926 63.200 0.031 0.000 0.876 325 S HN 0.654 nan 8.310 nan 0.000 0.448 326 R N 0.290 120.843 120.500 0.089 0.000 2.115 326 R HA -0.042 4.298 4.340 0.001 0.000 0.230 326 R C 2.372 178.852 176.300 0.301 0.000 1.111 326 R CA 1.552 57.723 56.100 0.119 0.000 0.976 326 R CB -0.507 29.717 30.300 -0.126 0.000 0.870 326 R HN 0.572 nan 8.270 nan 0.000 0.445 327 V N -1.031 119.082 119.914 0.332 0.000 2.591 327 V HA -0.126 3.994 4.120 0.001 0.000 0.249 327 V C 2.240 178.518 176.094 0.306 0.000 1.053 327 V CA 1.943 64.455 62.300 0.353 0.000 1.068 327 V CB -0.891 31.175 31.823 0.405 0.000 0.689 327 V HN 0.323 nan 8.190 nan 0.000 0.462 328 T N -2.360 112.407 114.554 0.354 0.000 2.951 328 T HA -0.128 4.223 4.350 0.001 0.000 0.268 328 T C 1.804 176.742 174.700 0.396 0.000 1.073 328 T CA 1.659 63.964 62.100 0.342 0.000 1.134 328 T CB -0.498 68.514 68.868 0.240 0.000 0.884 328 T HN 0.392 nan 8.240 nan 0.000 0.479 329 M N 0.781 120.582 119.600 0.335 0.000 2.460 329 M HA 0.199 4.680 4.480 0.001 0.000 0.263 329 M C 1.589 177.960 176.300 0.118 0.000 1.071 329 M CA 0.497 55.944 55.300 0.244 0.000 1.096 329 M CB -0.731 31.984 32.600 0.192 0.000 1.408 329 M HN 0.191 nan 8.290 nan 0.000 0.463 330 I N 0.379 121.022 120.570 0.123 0.000 2.162 330 I HA -0.219 3.951 4.170 0.001 0.000 0.238 330 I C 2.322 178.388 176.117 -0.085 0.000 1.076 330 I CA 1.436 62.745 61.300 0.016 0.000 1.353 330 I CB -1.261 36.749 38.000 0.016 0.000 1.063 330 I HN 0.399 nan 8.210 nan 0.000 0.408 331 I N -0.832 119.716 120.570 -0.038 0.000 2.567 331 I HA -0.232 3.938 4.170 0.001 0.000 0.257 331 I C 2.393 178.393 176.117 -0.195 0.000 1.184 331 I CA 1.322 62.537 61.300 -0.142 0.000 1.451 331 I CB -0.463 37.552 38.000 0.024 0.000 1.089 331 I HN 0.144 nan 8.210 nan 0.000 0.441 332 L N 1.860 123.051 121.223 -0.053 0.000 2.131 332 L HA -0.024 4.316 4.340 0.001 0.000 0.206 332 L C 2.332 179.082 176.870 -0.200 0.000 1.087 332 L CA 2.424 57.203 54.840 -0.101 0.000 0.767 332 L CB -0.592 41.291 42.059 -0.294 0.000 0.917 332 L HN 0.538 nan 8.230 nan 0.000 0.441 333 T N -5.183 109.247 114.554 -0.206 0.000 2.985 333 T HA 0.346 4.696 4.350 0.001 0.000 0.254 333 T C 1.402 175.965 174.700 -0.228 0.000 1.021 333 T CA 0.299 62.289 62.100 -0.183 0.000 0.957 333 T CB 0.154 68.958 68.868 -0.107 0.000 1.047 333 T HN 0.533 nan 8.240 nan 0.000 0.511 334 G N 2.394 111.010 108.800 -0.306 0.000 2.153 334 G HA2 -0.264 3.697 3.960 0.001 0.000 0.252 334 G HA3 -0.264 3.697 3.960 0.001 0.000 0.252 334 G C -0.206 174.595 174.900 -0.166 0.000 0.994 334 G CA 0.327 45.254 45.100 -0.287 0.000 0.698 334 G HN 1.109 nan 8.290 nan 0.000 0.521 335 N N -1.593 117.035 118.700 -0.121 0.000 2.262 335 N HA 0.642 5.382 4.740 0.001 0.000 0.295 335 N C 0.117 175.596 175.510 -0.051 0.000 1.161 335 N CA -1.387 51.616 53.050 -0.078 0.000 0.767 335 N CB 1.054 39.507 38.487 -0.056 0.000 1.499 335 N HN -0.078 nan 8.380 nan 0.000 0.476 336 L N 0.852 122.049 121.223 -0.044 0.000 2.737 336 L HA 0.291 4.631 4.340 0.001 0.000 0.236 336 L C 1.239 178.150 176.870 0.068 0.000 1.219 336 L CA 0.386 55.213 54.840 -0.022 0.000 1.021 336 L CB -0.920 41.082 42.059 -0.095 0.000 1.291 336 L HN 0.714 nan 8.230 nan 0.000 0.470 337 E N -1.177 119.051 120.200 0.047 0.000 2.409 337 E HA -0.114 4.236 4.350 0.001 0.000 0.198 337 E C 1.779 178.426 176.600 0.078 0.000 1.024 337 E CA 0.702 57.130 56.400 0.046 0.000 0.861 337 E CB 0.140 29.844 29.700 0.007 0.000 0.788 337 E HN 0.470 nan 8.360 nan 0.000 0.521 338 S N 0.303 116.093 115.700 0.150 0.000 2.399 338 S HA -0.127 4.344 4.470 0.001 0.000 0.231 338 S C 1.235 175.892 174.600 0.096 0.000 1.022 338 S CA 0.958 59.247 58.200 0.148 0.000 0.983 338 S CB -0.154 63.210 63.200 0.274 0.000 0.803 338 S HN 0.406 nan 8.310 nan 0.000 0.480 339 Y N 0.798 121.086 120.300 -0.020 0.000 2.493 339 Y HA 0.351 4.901 4.550 0.001 0.000 0.275 339 Y C 1.552 177.432 175.900 -0.033 0.000 1.183 339 Y CA -0.220 57.865 58.100 -0.025 0.000 1.258 339 Y CB 0.155 38.606 38.460 -0.014 0.000 1.108 339 Y HN 0.324 nan 8.280 nan 0.000 0.521 340 G N 0.738 109.588 108.800 0.083 0.000 2.198 340 G HA2 -0.256 3.705 3.960 0.001 0.000 0.257 340 G HA3 -0.256 3.705 3.960 0.001 0.000 0.257 340 G C -0.368 174.556 174.900 0.041 0.000 1.042 340 G CA 0.237 45.356 45.100 0.031 0.000 0.791 340 G HN 0.166 nan 8.290 nan 0.000 0.502 341 V N 1.117 121.062 119.914 0.052 0.000 2.220 341 V HA 0.236 4.357 4.120 0.001 0.000 0.265 341 V C 0.826 176.925 176.094 0.009 0.000 1.078 341 V CA -0.800 61.517 62.300 0.027 0.000 0.872 341 V CB 0.631 32.466 31.823 0.020 0.000 1.121 341 V HN 0.501 nan 8.190 nan 0.000 0.460 342 E N 1.618 121.820 120.200 0.003 0.000 2.608 342 E HA 0.014 4.364 4.350 0.001 0.000 0.259 342 E C 0.182 176.777 176.600 -0.010 0.000 0.951 342 E CA 0.002 56.399 56.400 -0.005 0.000 0.945 342 E CB 1.331 31.028 29.700 -0.005 0.000 0.916 342 E HN 0.420 nan 8.360 nan 0.000 0.477 343 V N 4.493 124.398 119.914 -0.014 0.000 2.673 343 V HA -0.105 4.016 4.120 0.001 0.000 0.303 343 V C 1.183 177.269 176.094 -0.014 0.000 1.046 343 V CA 0.099 62.388 62.300 -0.018 0.000 1.126 343 V CB 0.695 32.505 31.823 -0.021 0.000 0.934 343 V HN 0.637 nan 8.190 nan 0.000 0.487 344 K N 3.303 123.694 120.400 -0.015 0.000 2.442 344 K HA -0.101 4.219 4.320 0.001 0.000 0.200 344 K C 1.080 177.675 176.600 -0.010 0.000 1.045 344 K CA 1.262 57.542 56.287 -0.012 0.000 0.937 344 K CB -0.646 31.847 32.500 -0.013 0.000 0.757 344 K HN 0.786 nan 8.250 nan 0.000 0.474 345 T N 3.259 117.807 114.554 -0.011 0.000 3.281 345 T HA 0.200 4.550 4.350 0.001 0.000 0.359 345 T C -2.064 172.631 174.700 -0.008 0.000 1.459 345 T CA -1.858 60.237 62.100 -0.009 0.000 1.114 345 T CB 0.708 69.570 68.868 -0.009 0.000 1.162 345 T HN -0.031 nan 8.240 nan 0.000 0.665 346 P HA 0.225 nan 4.420 nan 0.000 0.256 346 P C 1.062 178.359 177.300 -0.005 0.000 1.335 346 P CA -0.113 62.983 63.100 -0.006 0.000 0.808 346 P CB -0.136 31.561 31.700 -0.005 0.000 1.305 347 A N 1.280 124.098 122.820 -0.005 0.000 2.272 347 A HA -0.162 4.158 4.320 0.001 0.000 0.213 347 A C 2.239 179.821 177.584 -0.003 0.000 1.183 347 A CA 0.954 52.989 52.037 -0.003 0.000 0.719 347 A CB -0.814 18.185 19.000 -0.003 0.000 0.771 347 A HN 0.238 nan 8.150 nan 0.000 0.484 348 R N -1.071 119.426 120.500 -0.004 0.000 2.119 348 R HA 0.142 4.482 4.340 0.001 0.000 0.202 348 R C 1.652 177.950 176.300 -0.004 0.000 1.114 348 R CA 1.465 57.563 56.100 -0.004 0.000 1.089 348 R CB -1.069 29.227 30.300 -0.007 0.000 1.000 348 R HN 0.242 nan 8.270 nan 0.000 0.487 349 S N 2.720 118.417 115.700 -0.005 0.000 2.436 349 S HA 0.021 4.491 4.470 0.001 0.000 0.208 349 S C 1.159 175.758 174.600 -0.002 0.000 1.063 349 S CA 1.215 59.412 58.200 -0.005 0.000 1.120 349 S CB -0.590 62.606 63.200 -0.005 0.000 1.053 349 S HN 0.511 nan 8.310 nan 0.000 0.407 350 L N 1.476 122.698 121.223 -0.002 0.000 2.259 350 L HA 0.488 4.829 4.340 0.001 0.000 0.288 350 L C -0.813 176.057 176.870 -0.000 0.000 1.051 350 L CA -0.669 54.171 54.840 -0.000 0.000 0.824 350 L CB 0.035 42.094 42.059 0.000 0.000 1.206 350 L HN 0.140 nan 8.230 nan 0.000 0.429 351 L N 5.425 126.648 121.223 0.000 0.000 2.315 351 L HA 0.296 4.636 4.340 0.001 0.000 0.283 351 L C 1.176 178.047 176.870 0.001 0.000 1.089 351 L CA 0.776 55.617 54.840 0.000 0.000 0.833 351 L CB 0.622 42.681 42.059 0.001 0.000 1.170 351 L HN 1.099 nan 8.230 nan 0.000 0.442 352 A N 4.923 127.743 122.820 0.000 0.000 2.952 352 A HA -0.230 4.091 4.320 0.001 0.000 0.252 352 A C 0.828 178.413 177.584 0.001 0.000 1.323 352 A CA 0.907 52.944 52.037 0.000 0.000 0.957 352 A CB -1.750 17.250 19.000 0.001 0.000 1.130 352 A HN 0.787 nan 8.150 nan 0.000 0.799 353 M N -4.491 115.110 119.600 0.001 0.000 2.563 353 M HA -0.160 4.320 4.480 0.001 0.000 0.195 353 M C 0.883 177.184 176.300 0.001 0.000 0.787 353 M CA 1.333 56.634 55.300 0.001 0.000 0.578 353 M CB -2.289 30.311 32.600 0.001 0.000 1.469 353 M HN 1.762 nan 8.290 nan 0.000 0.860 354 A N -0.984 121.836 122.820 0.001 0.000 2.095 354 A HA 0.576 4.897 4.320 0.001 0.000 0.212 354 A C 2.074 179.659 177.584 0.002 0.000 1.162 354 A CA 1.090 53.129 52.037 0.002 0.000 0.753 354 A CB -0.140 18.861 19.000 0.002 0.000 0.840 354 A HN 0.988 nan 8.150 nan 0.000 0.468 355 A N 0.284 123.106 122.820 0.002 0.000 1.933 355 A HA -0.102 4.218 4.320 0.001 0.000 0.218 355 A C 2.364 179.950 177.584 0.003 0.000 1.175 355 A CA 2.430 54.469 52.037 0.003 0.000 0.628 355 A CB -1.045 17.957 19.000 0.002 0.000 0.814 355 A HN 0.634 nan 8.150 nan 0.000 0.444 356 T N -3.091 111.465 114.554 0.003 0.000 2.976 356 T HA 0.068 4.419 4.350 0.001 0.000 0.257 356 T C 0.849 175.551 174.700 0.003 0.000 1.051 356 T CA 0.771 62.873 62.100 0.004 0.000 1.141 356 T CB -0.630 68.241 68.868 0.003 0.000 0.881 356 T HN 0.026 nan 8.240 nan 0.000 0.461 357 V N 2.755 122.670 119.914 0.003 0.000 1.909 357 V HA 0.602 4.723 4.120 0.001 0.000 0.253 357 V C 0.438 176.534 176.094 0.003 0.000 1.734 357 V CA 0.157 62.458 62.300 0.003 0.000 1.661 357 V CB -1.922 29.903 31.823 0.002 0.000 1.552 357 V HN 0.843 nan 8.190 nan 0.000 0.506 358 A N 2.411 125.233 122.820 0.003 0.000 2.540 358 A HA 0.617 4.938 4.320 0.001 0.000 0.315 358 A C -0.941 176.645 177.584 0.004 0.000 1.037 358 A CA -0.899 51.140 52.037 0.003 0.000 0.940 358 A CB 1.080 20.082 19.000 0.003 0.000 1.262 358 A HN 0.299 nan 8.150 nan 0.000 0.377 359 K N 0.602 121.005 120.400 0.004 0.000 2.156 359 K HA 0.887 5.208 4.320 0.001 0.000 0.250 359 K C -0.515 176.088 176.600 0.004 0.000 0.955 359 K CA -0.274 56.016 56.287 0.004 0.000 0.855 359 K CB 1.584 34.086 32.500 0.004 0.000 1.101 359 K HN 0.623 nan 8.250 nan 0.000 0.434 360 S N 1.417 117.120 115.700 0.005 0.000 2.488 360 S HA 0.171 4.641 4.470 0.001 0.000 0.151 360 S C -0.563 174.040 174.600 0.005 0.000 1.401 360 S CA -0.565 57.638 58.200 0.005 0.000 1.221 360 S CB 0.795 63.998 63.200 0.005 0.000 1.407 360 S HN 0.557 nan 8.310 nan 0.000 0.406 361 S N 1.452 117.154 115.700 0.005 0.000 2.517 361 S HA 0.123 4.593 4.470 0.001 0.000 0.214 361 S C 0.479 175.081 174.600 0.004 0.000 0.991 361 S CA -0.064 58.138 58.200 0.005 0.000 0.906 361 S CB 0.152 63.354 63.200 0.004 0.000 0.789 361 S HN 0.671 nan 8.310 nan 0.000 0.513 362 D N 1.195 121.597 120.400 0.004 0.000 2.256 362 D HA 0.206 4.847 4.640 0.001 0.000 0.250 362 D C -1.925 174.377 176.300 0.004 0.000 1.093 362 D CA -2.037 51.965 54.000 0.004 0.000 0.882 362 D CB 1.705 42.507 40.800 0.003 0.000 1.185 362 D HN -0.080 nan 8.370 nan 0.000 0.437 363 P HA -0.131 nan 4.420 nan 0.000 0.217 363 P C 0.592 177.894 177.300 0.004 0.000 1.148 363 P CA 1.164 64.267 63.100 0.004 0.000 0.828 363 P CB 0.321 32.023 31.700 0.003 0.000 0.783 364 A N -1.509 121.313 122.820 0.003 0.000 2.081 364 A HA 0.003 4.323 4.320 0.001 0.000 0.214 364 A C 0.826 178.412 177.584 0.004 0.000 1.158 364 A CA 0.273 52.312 52.037 0.003 0.000 0.724 364 A CB -0.655 18.347 19.000 0.003 0.000 0.826 364 A HN 0.094 nan 8.150 nan 0.000 0.463 365 D N 1.501 121.904 120.400 0.004 0.000 2.341 365 D HA 0.159 4.800 4.640 0.001 0.000 0.235 365 D C -2.179 174.123 176.300 0.004 0.000 1.265 365 D CA -0.555 53.447 54.000 0.004 0.000 0.888 365 D CB -0.102 40.700 40.800 0.004 0.000 1.192 365 D HN 0.233 nan 8.370 nan 0.000 0.462 366 P HA 0.153 nan 4.420 nan 0.000 0.271 366 P C -2.414 174.890 177.300 0.005 0.000 1.216 366 P CA -0.975 62.128 63.100 0.005 0.000 0.776 366 P CB -0.136 31.566 31.700 0.004 0.000 0.881 367 P HA 0.143 nan 4.420 nan 0.000 0.269 367 P C -0.270 177.034 177.300 0.006 0.000 1.209 367 P CA -0.006 63.097 63.100 0.006 0.000 0.776 367 P CB 0.447 32.151 31.700 0.007 0.000 0.876 368 I N 4.547 125.121 120.570 0.007 0.000 2.441 368 I HA 0.247 4.417 4.170 0.001 0.000 0.287 368 I C -1.115 175.007 176.117 0.008 0.000 1.049 368 I CA -1.630 59.674 61.300 0.007 0.000 1.381 368 I CB -0.373 37.632 38.000 0.008 0.000 1.409 368 I HN 0.353 nan 8.210 nan 0.000 0.523 369 P HA 0.355 nan 4.420 nan 0.000 0.283 369 P C -1.226 176.078 177.300 0.006 0.000 1.271 369 P CA -0.631 62.472 63.100 0.006 0.000 0.841 369 P CB 1.290 32.992 31.700 0.004 0.000 1.122 370 N N 1.096 119.800 118.700 0.006 0.000 2.461 370 N HA 0.132 4.872 4.740 0.001 0.000 0.284 370 N C -1.097 174.415 175.510 0.002 0.000 1.049 370 N CA -0.198 52.856 53.050 0.007 0.000 0.889 370 N CB 1.180 39.675 38.487 0.013 0.000 1.365 370 N HN 0.166 nan 8.380 nan 0.000 0.499 371 D N 0.716 121.116 120.400 -0.001 0.000 2.559 371 D HA 0.056 4.696 4.640 0.001 0.000 0.234 371 D C 0.037 176.331 176.300 -0.009 0.000 1.226 371 D CA 0.105 54.100 54.000 -0.008 0.000 0.830 371 D CB 0.322 41.116 40.800 -0.010 0.000 1.028 371 D HN 0.374 nan 8.370 nan 0.000 0.492 372 S N 0.216 115.914 115.700 -0.003 0.000 2.533 372 S HA 0.065 4.535 4.470 0.001 0.000 0.282 372 S C 1.436 176.029 174.600 -0.012 0.000 1.304 372 S CA -0.364 57.834 58.200 -0.003 0.000 1.063 372 S CB 1.185 64.389 63.200 0.006 0.000 0.881 372 S HN 0.041 nan 8.310 nan 0.000 0.493 373 R N 3.845 124.336 120.500 -0.016 0.000 2.189 373 R HA 0.121 4.462 4.340 0.001 0.000 0.223 373 R C 0.471 176.750 176.300 -0.036 0.000 1.092 373 R CA 0.970 57.054 56.100 -0.026 0.000 0.989 373 R CB -0.195 30.094 30.300 -0.019 0.000 0.876 373 R HN 0.672 nan 8.270 nan 0.000 0.457 374 I N 1.970 122.522 120.570 -0.029 0.000 2.379 374 I HA -0.064 4.106 4.170 0.001 0.000 0.290 374 I C 1.397 177.493 176.117 -0.035 0.000 1.063 374 I CA 0.172 61.444 61.300 -0.046 0.000 1.351 374 I CB 0.846 38.833 38.000 -0.022 0.000 1.410 374 I HN 0.274 nan 8.210 nan 0.000 0.505 375 L N 7.854 129.027 121.223 -0.083 0.000 2.068 375 L HA 0.017 4.357 4.340 0.001 0.000 0.204 375 L C 0.045 176.989 176.870 0.124 0.000 1.076 375 L CA 1.251 56.084 54.840 -0.013 0.000 0.753 375 L CB 0.332 42.346 42.059 -0.075 0.000 0.910 375 L HN 0.679 nan 8.230 nan 0.000 0.439 376 F N -2.059 117.886 119.950 -0.008 0.000 2.799 376 F HA 0.491 5.019 4.527 0.001 0.000 0.316 376 F C -1.147 174.650 175.800 -0.005 0.000 1.155 376 F CA -1.532 56.466 58.000 -0.004 0.000 0.916 376 F CB 0.738 39.736 39.000 -0.003 0.000 1.294 376 F HN -0.301 nan 8.300 nan 0.000 0.447 377 K N 1.091 121.674 120.400 0.306 0.000 2.477 377 K HA 0.320 4.641 4.320 0.001 0.000 0.255 377 K C -1.349 175.397 176.600 0.243 0.000 0.952 377 K CA -0.717 55.672 56.287 0.169 0.000 0.826 377 K CB 2.426 34.964 32.500 0.063 0.000 1.331 377 K HN 0.928 nan 8.250 nan 0.000 0.437 378 E N 4.738 125.045 120.200 0.179 0.000 2.406 378 E HA 0.064 4.415 4.350 0.001 0.000 0.258 378 E C -1.979 174.698 176.600 0.128 0.000 1.043 378 E CA -1.491 55.006 56.400 0.162 0.000 0.929 378 E CB 0.481 30.263 29.700 0.135 0.000 0.969 378 E HN 0.224 nan 8.360 nan 0.000 0.462 379 P HA -0.084 nan 4.420 nan 0.000 0.269 379 P C 0.013 177.368 177.300 0.092 0.000 1.215 379 P CA -0.171 62.988 63.100 0.098 0.000 0.780 379 P CB 0.692 32.445 31.700 0.088 0.000 0.898 380 V N -0.312 119.640 119.914 0.065 0.000 3.264 380 V HA 0.237 4.357 4.120 0.001 0.000 0.304 380 V C 0.771 176.879 176.094 0.023 0.000 1.086 380 V CA -0.641 61.679 62.300 0.033 0.000 1.090 380 V CB 0.227 32.066 31.823 0.026 0.000 1.112 380 V HN 0.664 nan 8.190 nan 0.000 0.472 381 S N 1.294 116.972 115.700 -0.037 0.000 2.546 381 S HA 0.062 4.532 4.470 0.001 0.000 0.290 381 S C 1.277 175.900 174.600 0.038 0.000 1.290 381 S CA 0.113 58.289 58.200 -0.040 0.000 1.069 381 S CB 0.312 63.437 63.200 -0.125 0.000 0.846 381 S HN 1.703 nan 8.310 nan 0.000 0.495 382 S N 4.578 120.321 115.700 0.072 0.000 2.593 382 S HA 0.048 4.519 4.470 0.001 0.000 0.217 382 S C 0.340 175.022 174.600 0.137 0.000 0.966 382 S CA -0.441 57.819 58.200 0.100 0.000 0.914 382 S CB -0.464 62.782 63.200 0.076 0.000 0.776 382 S HN 0.784 nan 8.310 nan 0.000 0.523 383 Y N 2.780 123.094 120.300 0.023 0.000 2.810 383 Y HA 0.186 4.736 4.550 0.001 0.000 0.332 383 Y C 0.649 176.645 175.900 0.160 0.000 1.243 383 Y CA 0.423 58.554 58.100 0.051 0.000 1.537 383 Y CB 0.257 38.706 38.460 -0.018 0.000 1.265 383 Y HN 0.178 nan 8.280 nan 0.000 0.572 384 K N 4.149 124.416 120.400 -0.220 0.000 3.413 384 K HA 0.214 4.535 4.320 0.001 0.000 0.170 384 K C 0.057 176.493 176.600 -0.273 0.000 1.005 384 K CA 0.089 56.357 56.287 -0.031 0.000 0.925 384 K CB 0.200 32.723 32.500 0.039 0.000 0.686 384 K HN 0.852 nan 8.250 nan 0.000 0.432 385 G N 0.679 108.971 108.800 -0.845 0.000 2.614 385 G HA2 0.215 4.176 3.960 0.001 0.000 0.239 385 G HA3 0.215 4.176 3.960 0.001 0.000 0.239 385 G C -0.564 174.296 174.900 -0.067 0.000 1.240 385 G CA 0.312 45.119 45.100 -0.489 0.000 0.842 385 G HN 0.129 nan 8.290 nan 0.000 0.584 386 E N -0.795 119.427 120.200 0.037 0.000 2.287 386 E HA 0.290 4.641 4.350 0.001 0.000 0.274 386 E C -1.238 175.434 176.600 0.121 0.000 0.896 386 E CA -0.766 55.711 56.400 0.128 0.000 0.788 386 E CB 1.024 30.818 29.700 0.156 0.000 1.244 386 E HN 0.453 nan 8.360 nan 0.000 0.408 387 Y N 5.774 126.057 120.300 -0.028 0.000 2.683 387 Y HA 0.153 4.703 4.550 0.001 0.000 0.340 387 Y C -1.335 174.399 175.900 -0.276 0.000 1.245 387 Y CA -0.472 57.554 58.100 -0.122 0.000 1.485 387 Y CB 0.905 39.320 38.460 -0.075 0.000 1.328 387 Y HN 0.442 nan 8.280 nan 0.000 0.603 388 P HA 0.055 nan 4.420 nan 0.000 0.266 388 P C -0.217 176.581 177.300 -0.836 0.000 1.561 388 P CA 0.313 62.630 63.100 -1.305 0.000 1.089 388 P CB 0.002 30.886 31.700 -1.360 0.000 1.534 389 Y N -0.217 119.888 120.300 -0.325 0.000 2.571 389 Y HA -0.007 4.543 4.550 0.001 0.000 0.294 389 Y C 1.459 177.065 175.900 -0.489 0.000 1.141 389 Y CA 0.019 57.941 58.100 -0.297 0.000 1.308 389 Y CB -0.724 37.659 38.460 -0.128 0.000 1.002 389 Y HN -0.208 nan 8.280 nan 0.000 0.551 390 V N 2.045 121.758 119.914 -0.334 0.000 2.498 390 V HA 0.081 4.202 4.120 0.001 0.000 0.279 390 V C -0.214 175.604 176.094 -0.459 0.000 1.048 390 V CA -0.687 61.453 62.300 -0.266 0.000 0.967 390 V CB 0.532 32.321 31.823 -0.057 0.000 0.988 390 V HN 0.247 nan 8.190 nan 0.000 0.473 391 H N 2.620 121.755 119.070 0.108 0.000 2.675 391 H HA 0.404 4.960 4.556 0.001 0.000 0.258 391 H C -0.334 175.078 175.328 0.140 0.000 1.271 391 H CA -0.290 55.831 56.048 0.123 0.000 1.462 391 H CB 1.330 31.187 29.762 0.158 0.000 1.467 391 H HN 0.562 nan 8.280 nan 0.000 0.501 392 T N 3.353 118.007 114.554 0.165 0.000 2.856 392 T HA 0.376 4.727 4.350 0.001 0.000 0.283 392 T C 0.248 175.011 174.700 0.104 0.000 1.008 392 T CA -0.674 61.495 62.100 0.115 0.000 0.997 392 T CB 2.134 71.053 68.868 0.086 0.000 0.992 392 T HN 0.402 nan 8.240 nan 0.000 0.454 393 M N 3.116 122.763 119.600 0.079 0.000 2.383 393 M HA 0.597 5.077 4.480 0.001 0.000 0.325 393 M C -1.267 175.061 176.300 0.047 0.000 1.092 393 M CA -0.631 54.712 55.300 0.071 0.000 0.961 393 M CB 1.785 34.436 32.600 0.085 0.000 1.672 393 M HN 0.755 nan 8.290 nan 0.000 0.438 394 E N 3.167 123.393 120.200 0.043 0.000 2.256 394 E HA 0.476 4.826 4.350 0.001 0.000 0.268 394 E C -1.027 175.596 176.600 0.039 0.000 0.877 394 E CA -0.575 55.846 56.400 0.035 0.000 0.757 394 E CB 1.851 31.563 29.700 0.019 0.000 1.183 394 E HN 0.784 nan 8.360 nan 0.000 0.418 395 T N 0.433 115.023 114.554 0.060 0.000 2.862 395 T HA 0.207 4.557 4.350 0.001 0.000 0.276 395 T C 1.097 175.825 174.700 0.047 0.000 0.974 395 T CA -0.295 61.843 62.100 0.065 0.000 0.966 395 T CB 1.375 70.318 68.868 0.125 0.000 1.072 395 T HN 0.697 nan 8.240 nan 0.000 0.538 396 E N 0.277 120.507 120.200 0.050 0.000 2.085 396 E HA -0.192 4.158 4.350 0.001 0.000 0.194 396 E C 1.942 178.582 176.600 0.066 0.000 0.994 396 E CA 1.627 58.065 56.400 0.064 0.000 0.801 396 E CB -0.272 29.479 29.700 0.085 0.000 0.743 396 E HN 0.765 nan 8.360 nan 0.000 0.453 397 S N -1.770 113.952 115.700 0.037 0.000 2.593 397 S HA 0.228 4.698 4.470 0.001 0.000 0.217 397 S C 1.326 175.861 174.600 -0.108 0.000 0.966 397 S CA 0.448 58.635 58.200 -0.022 0.000 0.914 397 S CB 0.854 64.028 63.200 -0.043 0.000 0.776 397 S HN 0.508 nan 8.310 nan 0.000 0.523 398 G N 0.018 108.761 108.800 -0.096 0.000 2.227 398 G HA2 -0.154 3.806 3.960 0.001 0.000 0.168 398 G HA3 -0.154 3.806 3.960 0.001 0.000 0.168 398 G C -0.184 174.624 174.900 -0.153 0.000 1.006 398 G CA -0.455 44.570 45.100 -0.125 0.000 0.684 398 G HN 0.645 nan 8.290 nan 0.000 0.489 399 H N 0.173 119.194 119.070 -0.082 0.000 2.964 399 H HA 0.551 5.108 4.556 0.001 0.000 0.328 399 H C 0.496 175.798 175.328 -0.044 0.000 1.030 399 H CA 0.838 56.838 56.048 -0.080 0.000 1.445 399 H CB 0.679 30.398 29.762 -0.072 0.000 1.449 399 H HN 0.264 nan 8.280 nan 0.000 0.581 400 I N 2.822 123.444 120.570 0.085 0.000 2.533 400 I HA 0.210 4.381 4.170 0.001 0.000 0.290 400 I C -0.753 175.342 176.117 -0.036 0.000 1.056 400 I CA -0.532 60.777 61.300 0.015 0.000 1.057 400 I CB 2.044 40.029 38.000 -0.026 0.000 1.240 400 I HN 0.544 nan 8.210 nan 0.000 0.423 401 Q N 5.941 125.704 119.800 -0.062 0.000 2.274 401 Q HA 0.445 4.785 4.340 0.001 0.000 0.268 401 Q C -1.638 174.231 176.000 -0.218 0.000 1.015 401 Q CA -0.613 55.081 55.803 -0.181 0.000 0.775 401 Q CB 2.154 30.838 28.738 -0.090 0.000 1.256 401 Q HN 0.602 nan 8.270 nan 0.000 0.442 402 E N 3.698 123.655 120.200 -0.405 0.000 2.210 402 E HA 0.345 4.695 4.350 0.001 0.000 0.266 402 E C -1.264 175.124 176.600 -0.354 0.000 0.883 402 E CA -0.609 55.645 56.400 -0.244 0.000 0.761 402 E CB 1.673 31.306 29.700 -0.112 0.000 1.156 402 E HN 0.443 nan 8.360 nan 0.000 0.412 403 F N 1.885 121.940 119.950 0.175 0.000 2.363 403 F HA 0.162 4.690 4.527 0.001 0.000 0.366 403 F C 0.232 176.160 175.800 0.214 0.000 1.083 403 F CA -0.795 57.343 58.000 0.231 0.000 1.176 403 F CB 0.879 40.012 39.000 0.221 0.000 1.432 403 F HN 0.327 nan 8.300 nan 0.000 0.482 404 D N 2.377 122.928 120.400 0.252 0.000 2.325 404 D HA 0.055 4.695 4.640 0.001 0.000 0.251 404 D C 0.281 176.667 176.300 0.143 0.000 1.196 404 D CA 0.197 54.276 54.000 0.133 0.000 0.866 404 D CB 0.978 41.779 40.800 0.000 0.000 1.101 404 D HN 0.428 nan 8.370 nan 0.000 0.476 405 D N 1.834 122.332 120.400 0.163 0.000 2.339 405 D HA -0.008 4.632 4.640 0.001 0.000 0.217 405 D C 0.106 176.386 176.300 -0.034 0.000 1.050 405 D CA 0.205 54.276 54.000 0.119 0.000 0.856 405 D CB 0.164 41.107 40.800 0.238 0.000 0.922 405 D HN 0.309 nan 8.370 nan 0.000 0.518 406 T N 4.518 119.069 114.554 -0.005 0.000 2.750 406 T HA 0.011 4.362 4.350 0.001 0.000 0.277 406 T C -2.316 172.270 174.700 -0.191 0.000 0.996 406 T CA -0.644 61.404 62.100 -0.087 0.000 1.195 406 T CB 0.489 69.340 68.868 -0.029 0.000 0.963 406 T HN 0.115 nan 8.240 nan 0.000 0.516 407 P HA 0.120 nan 4.420 nan 0.000 0.262 407 P C 1.053 178.277 177.300 -0.126 0.000 1.199 407 P CA 0.552 63.507 63.100 -0.241 0.000 0.763 407 P CB 0.452 31.966 31.700 -0.310 0.000 0.790 408 G N 3.464 112.213 108.800 -0.085 0.000 2.268 408 G HA2 -0.256 3.705 3.960 0.001 0.000 0.240 408 G HA3 -0.256 3.705 3.960 0.001 0.000 0.240 408 G C 0.585 175.464 174.900 -0.035 0.000 1.010 408 G CA -0.037 45.033 45.100 -0.050 0.000 0.618 408 G HN 0.538 nan 8.290 nan 0.000 0.516 409 Q N 0.983 120.755 119.800 -0.046 0.000 2.233 409 Q HA 0.455 4.795 4.340 0.001 0.000 0.340 409 Q C -0.378 175.603 176.000 -0.032 0.000 0.899 409 Q CA -0.137 55.644 55.803 -0.036 0.000 1.139 409 Q CB 0.502 29.208 28.738 -0.053 0.000 1.273 409 Q HN 0.582 nan 8.270 nan 0.000 0.431 410 E N 1.124 121.316 120.200 -0.013 0.000 2.406 410 E HA 0.137 4.487 4.350 0.001 0.000 0.258 410 E C -0.346 176.284 176.600 0.050 0.000 1.043 410 E CA 0.257 56.669 56.400 0.020 0.000 0.929 410 E CB 0.239 29.955 29.700 0.027 0.000 0.969 410 E HN 0.230 nan 8.360 nan 0.000 0.462 411 R N 1.642 122.182 120.500 0.067 0.000 2.799 411 R HA 0.644 4.985 4.340 0.001 0.000 0.270 411 R C -1.531 174.860 176.300 0.151 0.000 1.010 411 R CA -1.150 55.008 56.100 0.097 0.000 0.916 411 R CB 0.977 31.306 30.300 0.048 0.000 1.228 411 R HN 0.437 nan 8.270 nan 0.000 0.469 412 Y N 0.727 121.039 120.300 0.019 0.000 2.462 412 Y HA 0.670 5.220 4.550 0.001 0.000 0.346 412 Y C -1.194 174.675 175.900 -0.052 0.000 0.976 412 Y CA -1.030 57.037 58.100 -0.055 0.000 1.044 412 Y CB 2.169 40.618 38.460 -0.019 0.000 1.230 412 Y HN 0.686 nan 8.280 nan 0.000 0.455 413 R N 5.542 125.426 120.500 -1.028 0.000 2.584 413 R HA 0.548 4.888 4.340 0.001 0.000 0.276 413 R C -2.559 173.248 176.300 -0.821 0.000 1.046 413 R CA -0.995 54.677 56.100 -0.714 0.000 0.906 413 R CB 1.958 32.091 30.300 -0.279 0.000 1.215 413 R HN 0.757 nan 8.270 nan 0.000 0.449 414 L N 4.499 125.444 121.223 -0.463 0.000 2.343 414 L HA 0.516 4.857 4.340 0.001 0.000 0.278 414 L C -1.560 175.318 176.870 0.013 0.000 0.996 414 L CA -0.529 54.193 54.840 -0.197 0.000 0.831 414 L CB 1.964 44.005 42.059 -0.029 0.000 1.232 414 L HN 0.309 nan 8.230 nan 0.000 0.413 415 V N 4.528 124.463 119.914 0.036 0.000 2.531 415 V HA 0.418 4.539 4.120 0.001 0.000 0.301 415 V C -0.408 175.783 176.094 0.161 0.000 1.034 415 V CA -0.743 61.623 62.300 0.110 0.000 0.865 415 V CB 1.443 33.277 31.823 0.019 0.000 0.995 415 V HN 0.740 nan 8.190 nan 0.000 0.424 416 H N 7.561 126.696 119.070 0.108 0.000 2.487 416 H HA 0.329 4.885 4.556 0.001 0.000 0.333 416 H C -1.718 173.591 175.328 -0.032 0.000 1.114 416 H CA -1.944 54.156 56.048 0.086 0.000 1.310 416 H CB 2.571 32.401 29.762 0.113 0.000 1.462 416 H HN 0.354 nan 8.280 nan 0.000 0.516 417 P HA -0.192 nan 4.420 nan 0.000 0.218 417 P C 1.207 178.554 177.300 0.079 0.000 1.146 417 P CA 1.978 64.979 63.100 -0.166 0.000 0.820 417 P CB -0.066 31.419 31.700 -0.359 0.000 0.778 418 T N -5.149 109.615 114.554 0.350 0.000 2.995 418 T HA 0.224 4.574 4.350 0.001 0.000 0.269 418 T C 1.671 176.423 174.700 0.086 0.000 1.091 418 T CA 1.315 63.533 62.100 0.197 0.000 1.128 418 T CB -0.533 68.429 68.868 0.157 0.000 0.891 418 T HN 0.289 nan 8.240 nan 0.000 0.492 419 G N 0.059 108.935 108.800 0.126 0.000 2.380 419 G HA2 -0.161 3.799 3.960 0.001 0.000 0.197 419 G HA3 -0.161 3.799 3.960 0.001 0.000 0.197 419 G C 0.263 175.278 174.900 0.191 0.000 1.001 419 G CA -0.126 45.034 45.100 0.101 0.000 0.668 419 G HN 0.610 nan 8.290 nan 0.000 0.483 420 T N 2.092 116.724 114.554 0.130 0.000 2.831 420 T HA 0.483 4.834 4.350 0.001 0.000 0.291 420 T C -0.205 174.613 174.700 0.197 0.000 0.981 420 T CA 1.289 63.443 62.100 0.091 0.000 1.174 420 T CB -0.129 68.731 68.868 -0.014 0.000 0.929 420 T HN 0.936 nan 8.240 nan 0.000 0.532 421 Y N 0.915 121.228 120.300 0.023 0.000 2.655 421 Y HA 0.790 5.341 4.550 0.001 0.000 0.336 421 Y C -0.803 175.109 175.900 0.021 0.000 1.154 421 Y CA -1.607 56.505 58.100 0.020 0.000 1.055 421 Y CB 1.593 40.049 38.460 -0.005 0.000 1.295 421 Y HN 0.489 nan 8.280 nan 0.000 0.465 422 E N 1.155 121.449 120.200 0.158 0.000 2.292 422 E HA 0.474 4.825 4.350 0.001 0.000 0.272 422 E C -1.882 174.840 176.600 0.204 0.000 0.881 422 E CA -0.665 55.790 56.400 0.092 0.000 0.754 422 E CB 2.174 31.947 29.700 0.121 0.000 1.201 422 E HN 0.760 nan 8.360 nan 0.000 0.425 423 E N 2.817 123.142 120.200 0.208 0.000 2.366 423 E HA 0.498 4.849 4.350 0.001 0.000 0.278 423 E C -1.779 174.936 176.600 0.192 0.000 0.923 423 E CA -0.881 55.635 56.400 0.193 0.000 0.761 423 E CB 2.003 31.839 29.700 0.227 0.000 1.231 423 E HN 0.291 nan 8.360 nan 0.000 0.443 424 V N 3.223 123.261 119.914 0.207 0.000 2.447 424 V HA 0.262 4.382 4.120 0.001 0.000 0.292 424 V C 0.225 176.398 176.094 0.130 0.000 1.021 424 V CA -0.689 61.712 62.300 0.167 0.000 0.850 424 V CB 0.988 32.925 31.823 0.189 0.000 1.005 424 V HN 0.769 nan 8.190 nan 0.000 0.426 425 S N 6.028 121.785 115.700 0.095 0.000 2.617 425 S HA 0.343 4.813 4.470 0.001 0.000 0.259 425 S C -1.228 173.408 174.600 0.061 0.000 1.301 425 S CA -0.821 57.423 58.200 0.073 0.000 0.984 425 S CB 0.672 63.911 63.200 0.064 0.000 0.954 425 S HN 0.567 nan 8.310 nan 0.000 0.572 426 P HA -0.043 nan 4.420 nan 0.000 0.226 426 P C 1.014 178.331 177.300 0.028 0.000 1.146 426 P CA 1.176 64.295 63.100 0.032 0.000 0.773 426 P CB -0.339 31.371 31.700 0.017 0.000 0.772 427 S N -2.094 113.625 115.700 0.031 0.000 2.577 427 S HA 0.376 4.847 4.470 0.001 0.000 0.219 427 S C 1.537 176.152 174.600 0.026 0.000 0.962 427 S CA 0.382 58.597 58.200 0.025 0.000 0.921 427 S CB -0.836 62.379 63.200 0.024 0.000 0.789 427 S HN 0.263 nan 8.310 nan 0.000 0.497 428 G N 1.784 110.605 108.800 0.035 0.000 2.176 428 G HA2 -0.294 3.666 3.960 0.001 0.000 0.253 428 G HA3 -0.294 3.666 3.960 0.001 0.000 0.253 428 G C 0.114 175.034 174.900 0.034 0.000 0.979 428 G CA 0.098 45.218 45.100 0.033 0.000 0.641 428 G HN 0.749 nan 8.290 nan 0.000 0.530 429 R N 0.666 121.189 120.500 0.038 0.000 2.590 429 R HA 0.432 4.772 4.340 0.001 0.000 0.274 429 R C 0.165 176.494 176.300 0.049 0.000 1.061 429 R CA 0.020 56.141 56.100 0.034 0.000 1.081 429 R CB 0.322 30.644 30.300 0.037 0.000 0.984 429 R HN 0.413 nan 8.270 nan 0.000 0.448 430 R N 2.427 122.948 120.500 0.034 0.000 2.513 430 R HA 0.279 4.620 4.340 0.001 0.000 0.301 430 R C -1.501 174.814 176.300 0.025 0.000 0.968 430 R CA -0.446 55.681 56.100 0.045 0.000 0.872 430 R CB 1.980 32.302 30.300 0.036 0.000 1.177 430 R HN 0.608 nan 8.270 nan 0.000 0.444 431 T N 4.577 119.155 114.554 0.040 0.000 2.809 431 T HA 0.301 4.651 4.350 0.001 0.000 0.284 431 T C -0.868 173.764 174.700 -0.113 0.000 0.992 431 T CA -0.631 61.459 62.100 -0.016 0.000 0.957 431 T CB 0.819 69.718 68.868 0.052 0.000 0.942 431 T HN 0.430 nan 8.240 nan 0.000 0.439 432 R N 3.379 123.791 120.500 -0.146 0.000 2.275 432 R HA 0.473 4.814 4.340 0.001 0.000 0.326 432 R C -0.987 175.148 176.300 -0.274 0.000 0.973 432 R CA -0.738 55.250 56.100 -0.186 0.000 0.854 432 R CB 0.613 30.867 30.300 -0.076 0.000 1.156 432 R HN 0.387 nan 8.270 nan 0.000 0.487 433 K N 2.356 122.467 120.400 -0.481 0.000 2.274 433 K HA 0.335 4.655 4.320 0.001 0.000 0.262 433 K C -1.477 174.981 176.600 -0.236 0.000 0.961 433 K CA -0.296 55.733 56.287 -0.430 0.000 0.833 433 K CB 1.937 33.956 32.500 -0.802 0.000 1.102 433 K HN 0.439 nan 8.250 nan 0.000 0.436 434 T N 3.955 118.431 114.554 -0.130 0.000 2.815 434 T HA 0.156 4.507 4.350 0.001 0.000 0.289 434 T C 0.796 175.461 174.700 -0.058 0.000 1.000 434 T CA -0.663 61.391 62.100 -0.077 0.000 0.958 434 T CB 1.258 70.093 68.868 -0.056 0.000 0.944 434 T HN 0.483 nan 8.240 nan 0.000 0.442 435 V N -0.316 119.569 119.914 -0.047 0.000 3.380 435 V HA 0.144 4.264 4.120 0.001 0.000 0.268 435 V C 0.650 176.719 176.094 -0.042 0.000 1.168 435 V CA 0.893 63.164 62.300 -0.048 0.000 1.156 435 V CB -0.435 31.354 31.823 -0.057 0.000 0.785 435 V HN 0.679 nan 8.190 nan 0.000 0.487 436 D N -0.396 119.985 120.400 -0.031 0.000 3.124 436 D HA 0.267 4.907 4.640 0.001 0.000 0.238 436 D C -0.407 175.885 176.300 -0.014 0.000 1.319 436 D CA -0.707 53.286 54.000 -0.010 0.000 1.057 436 D CB 0.669 41.474 40.800 0.010 0.000 1.244 436 D HN 0.182 nan 8.370 nan 0.000 0.634 437 N N 0.425 119.135 118.700 0.017 0.000 2.525 437 N HA 0.299 5.039 4.740 0.001 0.000 0.271 437 N C -0.561 174.956 175.510 0.011 0.000 1.194 437 N CA -0.168 52.875 53.050 -0.012 0.000 0.964 437 N CB 1.064 39.585 38.487 0.057 0.000 1.126 437 N HN 0.281 nan 8.380 nan 0.000 0.452 438 L N 2.410 123.563 121.223 -0.117 0.000 2.341 438 L HA 0.436 4.776 4.340 0.001 0.000 0.278 438 L C -1.659 175.104 176.870 -0.178 0.000 1.005 438 L CA -0.569 54.238 54.840 -0.056 0.000 0.818 438 L CB 0.814 42.829 42.059 -0.072 0.000 1.259 438 L HN 0.364 nan 8.230 nan 0.000 0.418 439 Y N 3.158 123.442 120.300 -0.026 0.000 2.376 439 Y HA 0.397 4.947 4.550 0.001 0.000 0.326 439 Y C -0.624 175.268 175.900 -0.014 0.000 0.970 439 Y CA -0.773 57.314 58.100 -0.022 0.000 1.248 439 Y CB 1.235 39.683 38.460 -0.020 0.000 1.117 439 Y HN 0.513 nan 8.280 nan 0.000 0.476 440 D N 4.458 124.908 120.400 0.084 0.000 2.456 440 D HA 0.308 4.948 4.640 0.001 0.000 0.219 440 D C -0.600 175.746 176.300 0.076 0.000 1.126 440 D CA 0.011 54.055 54.000 0.072 0.000 0.890 440 D CB 0.677 41.504 40.800 0.044 0.000 1.025 440 D HN 0.271 nan 8.370 nan 0.000 0.511 441 I N 2.173 122.792 120.570 0.083 0.000 2.328 441 I HA 0.200 4.371 4.170 0.001 0.000 0.287 441 I C 0.635 176.779 176.117 0.045 0.000 1.012 441 I CA -0.444 60.894 61.300 0.063 0.000 1.195 441 I CB 1.061 39.096 38.000 0.060 0.000 1.350 441 I HN 0.102 nan 8.210 nan 0.000 0.464 442 T N 3.908 118.487 114.554 0.040 0.000 2.840 442 T HA 0.357 4.707 4.350 0.001 0.000 0.287 442 T C 0.785 175.493 174.700 0.013 0.000 0.991 442 T CA -0.571 61.546 62.100 0.028 0.000 0.964 442 T CB 0.788 69.680 68.868 0.040 0.000 0.954 442 T HN 0.584 nan 8.240 nan 0.000 0.438 443 N N 2.593 121.294 118.700 0.002 0.000 2.188 443 N HA 0.063 4.803 4.740 0.001 0.000 0.184 443 N C 1.249 176.754 175.510 -0.009 0.000 1.018 443 N CA 0.853 53.900 53.050 -0.005 0.000 0.858 443 N CB 0.103 38.585 38.487 -0.007 0.000 0.989 443 N HN 0.738 nan 8.380 nan 0.000 0.426 444 A N 0.733 123.545 122.820 -0.013 0.000 3.847 444 A HA 0.271 4.592 4.320 0.001 0.000 0.152 444 A C -0.490 177.084 177.584 -0.018 0.000 1.527 444 A CA -0.408 51.618 52.037 -0.018 0.000 1.022 444 A CB -0.043 18.942 19.000 -0.025 0.000 1.715 444 A HN -0.066 nan 8.150 nan 0.000 0.650 445 D N 0.186 120.568 120.400 -0.029 0.000 2.372 445 D HA 0.449 5.089 4.640 0.001 0.000 0.243 445 D C 0.011 176.272 176.300 -0.065 0.000 1.121 445 D CA 0.735 54.715 54.000 -0.033 0.000 0.898 445 D CB 0.942 41.717 40.800 -0.042 0.000 1.202 445 D HN 0.614 nan 8.370 nan 0.000 0.428 446 G N 1.005 109.779 108.800 -0.043 0.000 2.437 446 G HA2 0.441 4.401 3.960 0.001 0.000 0.315 446 G HA3 0.441 4.401 3.960 0.001 0.000 0.315 446 G C -0.555 174.122 174.900 -0.371 0.000 1.210 446 G CA -0.719 44.287 45.100 -0.156 0.000 0.943 446 G HN 0.308 nan 8.290 nan 0.000 0.471 447 N N 1.021 119.273 118.700 -0.748 0.000 2.443 447 N HA 0.587 5.328 4.740 0.001 0.000 0.269 447 N C -1.435 173.576 175.510 -0.831 0.000 0.985 447 N CA -0.453 52.273 53.050 -0.540 0.000 0.921 447 N CB 1.825 40.141 38.487 -0.285 0.000 1.195 447 N HN 0.359 nan 8.380 nan 0.000 0.492 448 F N 1.840 121.784 119.950 -0.011 0.000 2.507 448 F HA 0.496 5.023 4.527 0.001 0.000 0.328 448 F C -0.698 175.094 175.800 -0.014 0.000 1.136 448 F CA -0.977 57.016 58.000 -0.013 0.000 0.930 448 F CB 1.361 40.355 39.000 -0.011 0.000 1.166 448 F HN 0.207 nan 8.300 nan 0.000 0.436 449 L N 4.922 126.212 121.223 0.111 0.000 2.404 449 L HA 0.698 5.039 4.340 0.001 0.000 0.272 449 L C -1.411 175.491 176.870 0.054 0.000 0.980 449 L CA -0.673 54.205 54.840 0.065 0.000 0.836 449 L CB 1.699 43.771 42.059 0.021 0.000 1.238 449 L HN 0.373 nan 8.230 nan 0.000 0.408 450 V N 6.569 126.511 119.914 0.048 0.000 2.275 450 V HA 0.438 4.558 4.120 0.001 0.000 0.272 450 V C 1.297 177.400 176.094 0.015 0.000 1.028 450 V CA 0.207 62.523 62.300 0.025 0.000 0.810 450 V CB 0.497 32.330 31.823 0.017 0.000 1.043 450 V HN 0.970 nan 8.190 nan 0.000 0.453 451 A N 4.069 126.895 122.820 0.010 0.000 1.908 451 A HA 0.044 4.364 4.320 0.001 0.000 0.218 451 A C 1.765 179.352 177.584 0.005 0.000 1.181 451 A CA 1.845 53.886 52.037 0.007 0.000 0.627 451 A CB -0.543 18.459 19.000 0.004 0.000 0.818 451 A HN 0.835 nan 8.150 nan 0.000 0.445 452 G N -0.773 108.027 108.800 -0.001 0.000 2.679 452 G HA2 0.363 4.324 3.960 0.001 0.000 0.202 452 G HA3 0.363 4.324 3.960 0.001 0.000 0.202 452 G C -0.661 174.238 174.900 -0.002 0.000 1.566 452 G CA -0.043 45.055 45.100 -0.003 0.000 1.074 452 G HN 0.291 nan 8.290 nan 0.000 0.564 453 D N -0.029 120.367 120.400 -0.007 0.000 2.264 453 D HA 0.350 4.991 4.640 0.001 0.000 0.249 453 D C -0.154 176.137 176.300 -0.015 0.000 1.070 453 D CA 0.054 54.053 54.000 -0.003 0.000 0.912 453 D CB 1.808 42.610 40.800 0.003 0.000 1.193 453 D HN 0.196 nan 8.370 nan 0.000 0.427 454 K N 1.759 122.157 120.400 -0.002 0.000 2.307 454 K HA 0.334 4.655 4.320 0.001 0.000 0.263 454 K C -0.938 175.669 176.600 0.011 0.000 0.973 454 K CA -0.625 55.656 56.287 -0.010 0.000 0.846 454 K CB 0.718 33.219 32.500 0.001 0.000 1.100 454 K HN 0.196 nan 8.250 nan 0.000 0.438 455 K N 2.408 122.811 120.400 0.003 0.000 2.397 455 K HA 0.369 4.690 4.320 0.001 0.000 0.253 455 K C -1.146 175.552 176.600 0.163 0.000 0.932 455 K CA -0.767 55.582 56.287 0.103 0.000 0.795 455 K CB 2.317 34.937 32.500 0.201 0.000 1.159 455 K HN 0.440 nan 8.250 nan 0.000 0.424 456 T N 1.334 115.991 114.554 0.171 0.000 2.916 456 T HA 0.464 4.814 4.350 0.001 0.000 0.292 456 T C -1.077 173.704 174.700 0.135 0.000 1.055 456 T CA -0.878 61.318 62.100 0.161 0.000 1.009 456 T CB 1.236 70.147 68.868 0.072 0.000 1.118 456 T HN 0.437 nan 8.240 nan 0.000 0.497 457 N N 0.455 119.213 118.700 0.097 0.000 2.478 457 N HA 0.512 5.253 4.740 0.001 0.000 0.291 457 N C -1.691 173.819 175.510 0.000 0.000 1.090 457 N CA -0.329 52.727 53.050 0.011 0.000 0.911 457 N CB 1.701 40.141 38.487 -0.078 0.000 1.546 457 N HN 0.320 nan 8.380 nan 0.000 0.500 458 V N 2.291 122.201 119.914 -0.007 0.000 2.350 458 V HA 0.448 4.568 4.120 0.001 0.000 0.285 458 V C 1.432 177.506 176.094 -0.033 0.000 1.014 458 V CA -0.412 61.878 62.300 -0.016 0.000 0.831 458 V CB 1.196 33.020 31.823 0.001 0.000 1.000 458 V HN 0.847 nan 8.190 nan 0.000 0.433 459 G N 3.834 112.597 108.800 -0.062 0.000 2.453 459 G HA2 0.001 3.962 3.960 0.001 0.000 0.215 459 G HA3 0.001 3.962 3.960 0.001 0.000 0.215 459 G C 1.018 175.860 174.900 -0.096 0.000 1.201 459 G CA 0.932 45.978 45.100 -0.089 0.000 0.784 459 G HN 0.835 nan 8.290 nan 0.000 0.545 460 G N -0.389 108.347 108.800 -0.107 0.000 3.086 460 G HA2 0.427 4.387 3.960 0.001 0.000 0.159 460 G HA3 0.427 4.387 3.960 0.001 0.000 0.159 460 G C 0.131 175.012 174.900 -0.031 0.000 1.654 460 G CA 0.459 45.490 45.100 -0.115 0.000 1.078 460 G HN 0.422 nan 8.290 nan 0.000 0.558 461 S N -0.880 114.808 115.700 -0.019 0.000 2.722 461 S HA 0.553 5.024 4.470 0.001 0.000 0.292 461 S C -0.547 174.056 174.600 0.006 0.000 1.135 461 S CA -0.433 57.776 58.200 0.015 0.000 1.003 461 S CB 1.882 65.099 63.200 0.027 0.000 1.067 461 S HN 0.596 nan 8.310 nan 0.000 0.546 462 E N 0.483 120.698 120.200 0.024 0.000 2.293 462 E HA 0.582 4.933 4.350 0.001 0.000 0.270 462 E C -1.718 174.913 176.600 0.051 0.000 0.879 462 E CA -0.495 55.926 56.400 0.035 0.000 0.756 462 E CB 1.063 30.795 29.700 0.054 0.000 1.208 462 E HN 0.517 nan 8.360 nan 0.000 0.428 463 I N 4.322 124.924 120.570 0.054 0.000 2.439 463 I HA 0.265 4.436 4.170 0.001 0.000 0.285 463 I C -1.554 174.635 176.117 0.120 0.000 1.021 463 I CA -0.874 60.466 61.300 0.068 0.000 1.091 463 I CB 1.435 39.450 38.000 0.025 0.000 1.242 463 I HN 0.567 nan 8.210 nan 0.000 0.439 464 Y N 7.600 127.921 120.300 0.035 0.000 2.376 464 Y HA 0.324 4.875 4.550 0.001 0.000 0.326 464 Y C -1.408 174.572 175.900 0.134 0.000 0.970 464 Y CA -0.791 57.345 58.100 0.061 0.000 1.248 464 Y CB 1.033 39.514 38.460 0.034 0.000 1.117 464 Y HN 0.431 nan 8.280 nan 0.000 0.476 465 Y N 6.658 127.002 120.300 0.074 0.000 2.385 465 Y HA 0.368 4.918 4.550 0.001 0.000 0.341 465 Y C -0.592 175.372 175.900 0.106 0.000 0.965 465 Y CA -0.766 57.387 58.100 0.089 0.000 1.180 465 Y CB 0.569 39.035 38.460 0.011 0.000 1.139 465 Y HN 0.661 nan 8.280 nan 0.000 0.502 466 N N 6.646 125.601 118.700 0.425 0.000 2.462 466 N HA 0.201 4.941 4.740 0.001 0.000 0.242 466 N C 0.314 175.833 175.510 0.014 0.000 1.010 466 N CA -0.289 52.874 53.050 0.189 0.000 0.939 466 N CB 0.835 39.457 38.487 0.224 0.000 1.127 466 N HN 0.732 nan 8.380 nan 0.000 0.509 467 M N 0.893 120.331 119.600 -0.270 0.000 2.696 467 M HA 0.025 4.506 4.480 0.001 0.000 0.220 467 M C -0.173 176.074 176.300 -0.088 0.000 1.133 467 M CA 0.821 55.924 55.300 -0.329 0.000 1.016 467 M CB -0.288 32.049 32.600 -0.439 0.000 1.740 467 M HN 0.593 nan 8.290 nan 0.000 0.502 468 D N -1.012 119.380 120.400 -0.013 0.000 4.359 468 D HA 0.180 4.821 4.640 0.001 0.000 0.344 468 D C -1.287 175.037 176.300 0.040 0.000 1.642 468 D CA -0.532 53.477 54.000 0.015 0.000 0.981 468 D CB 0.531 41.329 40.800 -0.002 0.000 1.479 468 D HN -0.009 nan 8.370 nan 0.000 0.647 469 N N 0.371 119.091 118.700 0.033 0.000 2.514 469 N HA 0.392 5.133 4.740 0.001 0.000 0.277 469 N C -0.645 174.892 175.510 0.044 0.000 1.126 469 N CA -0.227 52.846 53.050 0.038 0.000 0.978 469 N CB 1.207 39.712 38.487 0.030 0.000 1.106 469 N HN 0.169 nan 8.380 nan 0.000 0.461 470 R N 2.600 123.129 120.500 0.049 0.000 2.409 470 R HA 0.415 4.756 4.340 0.001 0.000 0.313 470 R C -1.617 174.713 176.300 0.050 0.000 0.953 470 R CA -0.776 55.353 56.100 0.048 0.000 0.849 470 R CB 0.525 30.853 30.300 0.048 0.000 1.171 470 R HN 0.526 nan 8.270 nan 0.000 0.458 471 L N 4.448 125.700 121.223 0.048 0.000 2.296 471 L HA 0.406 4.746 4.340 0.001 0.000 0.286 471 L C -1.297 175.633 176.870 0.099 0.000 1.023 471 L CA -0.267 54.611 54.840 0.064 0.000 0.812 471 L CB 1.174 43.261 42.059 0.047 0.000 1.223 471 L HN 0.732 nan 8.230 nan 0.000 0.421 472 H N 4.203 123.271 119.070 -0.003 0.000 2.906 472 H HA 0.390 4.946 4.556 0.001 0.000 0.324 472 H C -1.318 174.007 175.328 -0.004 0.000 0.973 472 H CA -0.670 55.374 56.048 -0.008 0.000 1.321 472 H CB 1.218 30.965 29.762 -0.025 0.000 1.535 472 H HN 0.767 nan 8.280 nan 0.000 0.518 473 Q N 5.770 125.739 119.800 0.282 0.000 2.345 473 Q HA 0.494 4.834 4.340 0.001 0.000 0.268 473 Q C -1.349 174.729 176.000 0.129 0.000 1.054 473 Q CA -1.198 54.678 55.803 0.122 0.000 0.835 473 Q CB 2.028 30.812 28.738 0.077 0.000 1.339 473 Q HN 0.756 nan 8.270 nan 0.000 0.447 474 I N 0.782 121.370 120.570 0.030 0.000 2.500 474 I HA 0.406 4.576 4.170 0.001 0.000 0.286 474 I C -0.827 175.298 176.117 0.012 0.000 1.063 474 I CA -0.713 60.603 61.300 0.027 0.000 1.062 474 I CB 2.008 39.995 38.000 -0.021 0.000 1.223 474 I HN 0.559 nan 8.210 nan 0.000 0.435 475 D N 4.591 125.005 120.400 0.023 0.000 2.310 475 D HA 0.090 4.731 4.640 0.001 0.000 0.212 475 D C 1.093 177.398 176.300 0.009 0.000 0.965 475 D CA 1.068 55.077 54.000 0.015 0.000 0.879 475 D CB 0.396 41.207 40.800 0.018 0.000 0.921 475 D HN 0.801 nan 8.370 nan 0.000 0.510 476 G N -0.416 108.390 108.800 0.010 0.000 2.782 476 G HA2 0.378 4.339 3.960 0.001 0.000 0.201 476 G HA3 0.378 4.339 3.960 0.001 0.000 0.201 476 G C -0.490 174.410 174.900 -0.001 0.000 1.374 476 G CA -0.243 44.861 45.100 0.007 0.000 1.039 476 G HN 0.174 nan 8.290 nan 0.000 0.576 477 S N -0.694 115.006 115.700 0.001 0.000 2.499 477 S HA 0.396 4.866 4.470 0.001 0.000 0.279 477 S C -0.316 174.279 174.600 -0.007 0.000 1.219 477 S CA -0.685 57.513 58.200 -0.003 0.000 1.062 477 S CB 1.367 64.568 63.200 0.002 0.000 0.978 477 S HN 0.505 nan 8.310 nan 0.000 0.489 478 N N 1.720 120.408 118.700 -0.020 0.000 2.479 478 N HA 0.505 5.245 4.740 0.001 0.000 0.285 478 N C -1.204 174.301 175.510 -0.008 0.000 1.075 478 N CA -0.009 53.024 53.050 -0.029 0.000 0.967 478 N CB 1.262 39.709 38.487 -0.065 0.000 1.137 478 N HN 0.718 nan 8.380 nan 0.000 0.472 479 T N 3.270 117.828 114.554 0.006 0.000 2.921 479 T HA 0.529 4.879 4.350 0.001 0.000 0.297 479 T C -0.528 174.202 174.700 0.049 0.000 1.013 479 T CA -0.437 61.683 62.100 0.034 0.000 0.990 479 T CB 0.520 69.415 68.868 0.046 0.000 1.023 479 T HN 0.315 nan 8.240 nan 0.000 0.447 480 I N 3.013 123.623 120.570 0.066 0.000 2.533 480 I HA 0.575 4.746 4.170 0.001 0.000 0.290 480 I C -1.519 174.684 176.117 0.144 0.000 1.056 480 I CA -0.908 60.440 61.300 0.080 0.000 1.057 480 I CB 2.146 40.162 38.000 0.027 0.000 1.240 480 I HN 0.571 nan 8.210 nan 0.000 0.423 481 F N 8.037 127.987 119.950 0.000 0.000 2.745 481 F HA 0.559 5.087 4.527 0.001 0.000 0.343 481 F C -1.091 174.714 175.800 0.008 0.000 1.196 481 F CA -0.827 57.175 58.000 0.003 0.000 1.021 481 F CB 1.363 40.365 39.000 0.004 0.000 1.297 481 F HN 0.133 nan 8.300 nan 0.000 0.486 482 V N 6.891 126.750 119.914 -0.092 0.000 2.459 482 V HA 0.593 4.713 4.120 0.001 0.000 0.295 482 V C 0.504 176.548 176.094 -0.083 0.000 1.029 482 V CA -0.517 61.792 62.300 0.014 0.000 0.874 482 V CB 1.876 33.696 31.823 -0.006 0.000 0.985 482 V HN 0.832 nan 8.190 nan 0.000 0.438 483 R N 3.802 124.364 120.500 0.103 0.000 2.093 483 R HA 0.203 4.543 4.340 0.001 0.000 0.224 483 R C 1.370 177.698 176.300 0.046 0.000 1.101 483 R CA 1.206 57.367 56.100 0.101 0.000 0.979 483 R CB -0.422 29.991 30.300 0.188 0.000 0.877 483 R HN 0.888 nan 8.270 nan 0.000 0.441 484 G N 0.900 109.735 108.800 0.058 0.000 2.666 484 G HA2 0.084 4.045 3.960 0.001 0.000 0.207 484 G HA3 0.084 4.045 3.960 0.001 0.000 0.207 484 G C -0.528 174.377 174.900 0.009 0.000 1.481 484 G CA -0.351 44.776 45.100 0.046 0.000 1.071 484 G HN 0.032 nan 8.290 nan 0.000 0.572 485 D N -0.310 120.096 120.400 0.010 0.000 2.294 485 D HA 0.429 5.069 4.640 0.001 0.000 0.250 485 D C -0.264 176.032 176.300 -0.007 0.000 1.058 485 D CA -0.048 53.949 54.000 -0.004 0.000 0.950 485 D CB 1.982 42.782 40.800 -0.000 0.000 1.158 485 D HN 0.445 nan 8.370 nan 0.000 0.453 486 E N -0.167 120.023 120.200 -0.017 0.000 2.216 486 E HA 0.393 4.743 4.350 0.001 0.000 0.260 486 E C -1.486 175.105 176.600 -0.014 0.000 0.880 486 E CA -0.717 55.673 56.400 -0.015 0.000 0.765 486 E CB 1.190 30.875 29.700 -0.026 0.000 1.174 486 E HN 0.259 nan 8.360 nan 0.000 0.417 487 T N 3.800 118.349 114.554 -0.009 0.000 2.864 487 T HA 0.342 4.693 4.350 0.001 0.000 0.299 487 T C -1.084 173.611 174.700 -0.007 0.000 1.011 487 T CA -0.785 61.310 62.100 -0.009 0.000 0.975 487 T CB 0.829 69.693 68.868 -0.007 0.000 0.962 487 T HN 0.408 nan 8.240 nan 0.000 0.448 488 K N 3.783 124.178 120.400 -0.008 0.000 2.244 488 K HA 0.601 4.922 4.320 0.001 0.000 0.260 488 K C -0.930 175.667 176.600 -0.005 0.000 0.951 488 K CA -0.518 55.766 56.287 -0.006 0.000 0.826 488 K CB 1.460 33.955 32.500 -0.008 0.000 1.108 488 K HN 0.655 nan 8.250 nan 0.000 0.433 489 T N 2.266 116.819 114.554 -0.002 0.000 2.841 489 T HA 0.389 4.740 4.350 0.001 0.000 0.283 489 T C -1.120 173.582 174.700 0.003 0.000 1.000 489 T CA -0.610 61.489 62.100 -0.001 0.000 0.977 489 T CB 1.584 70.451 68.868 -0.002 0.000 0.979 489 T HN 0.277 nan 8.240 nan 0.000 0.446 490 V N 3.495 123.411 119.914 0.003 0.000 2.385 490 V HA 0.240 4.360 4.120 0.001 0.000 0.277 490 V C 0.932 177.030 176.094 0.007 0.000 1.012 490 V CA -0.574 61.730 62.300 0.007 0.000 0.832 490 V CB 1.131 32.957 31.823 0.005 0.000 1.028 490 V HN 0.940 nan 8.190 nan 0.000 0.436 491 E N 2.710 122.916 120.200 0.010 0.000 2.150 491 E HA -0.053 4.297 4.350 0.001 0.000 0.193 491 E C 1.640 178.247 176.600 0.010 0.000 0.985 491 E CA 1.241 57.647 56.400 0.010 0.000 0.814 491 E CB 0.320 30.028 29.700 0.013 0.000 0.752 491 E HN 0.853 nan 8.360 nan 0.000 0.466 492 G N 0.590 109.397 108.800 0.012 0.000 2.928 492 G HA2 0.107 4.067 3.960 0.001 0.000 0.163 492 G HA3 0.107 4.067 3.960 0.001 0.000 0.163 492 G C -0.230 174.675 174.900 0.008 0.000 1.573 492 G CA -0.517 44.590 45.100 0.011 0.000 1.084 492 G HN 0.052 nan 8.290 nan 0.000 0.569 493 N N -0.403 118.301 118.700 0.008 0.000 2.456 493 N HA 0.495 5.235 4.740 0.001 0.000 0.288 493 N C -0.315 175.197 175.510 0.004 0.000 1.059 493 N CA -0.399 52.654 53.050 0.005 0.000 0.946 493 N CB 1.607 40.097 38.487 0.005 0.000 1.150 493 N HN 0.515 nan 8.380 nan 0.000 0.479 494 G N 0.676 109.477 108.800 0.002 0.000 2.343 494 G HA2 0.471 4.431 3.960 0.001 0.000 0.319 494 G HA3 0.471 4.431 3.960 0.001 0.000 0.319 494 G C -0.737 174.162 174.900 -0.001 0.000 1.126 494 G CA -0.157 44.943 45.100 0.000 0.000 0.889 494 G HN 0.344 nan 8.290 nan 0.000 0.457 495 T N 1.552 116.105 114.554 -0.001 0.000 2.886 495 T HA 0.589 4.940 4.350 0.001 0.000 0.292 495 T C -0.830 173.867 174.700 -0.005 0.000 1.012 495 T CA -0.142 61.957 62.100 -0.003 0.000 0.982 495 T CB 1.542 70.409 68.868 -0.001 0.000 1.018 495 T HN 0.313 nan 8.240 nan 0.000 0.451 496 I N 2.614 123.180 120.570 -0.006 0.000 2.934 496 I HA 0.826 4.997 4.170 0.001 0.000 0.306 496 I C -1.409 174.703 176.117 -0.007 0.000 1.110 496 I CA -0.900 60.395 61.300 -0.008 0.000 1.019 496 I CB 2.212 40.206 38.000 -0.010 0.000 1.227 496 I HN 0.486 nan 8.210 nan 0.000 0.434 497 L N 5.059 126.277 121.223 -0.008 0.000 2.666 497 L HA 0.758 5.098 4.340 0.001 0.000 0.259 497 L C -1.905 174.960 176.870 -0.008 0.000 0.919 497 L CA -0.452 54.384 54.840 -0.007 0.000 0.927 497 L CB 1.675 43.731 42.059 -0.005 0.000 1.423 497 L HN 0.475 nan 8.230 nan 0.000 0.426 498 V N 4.274 124.183 119.914 -0.007 0.000 2.760 498 V HA 0.618 4.738 4.120 0.001 0.000 0.309 498 V C 0.129 176.220 176.094 -0.006 0.000 1.077 498 V CA -0.474 61.822 62.300 -0.008 0.000 0.910 498 V CB 2.154 33.971 31.823 -0.009 0.000 1.008 498 V HN 0.837 nan 8.190 nan 0.000 0.424 499 K N 3.713 124.110 120.400 -0.005 0.000 2.167 499 K HA 0.228 4.548 4.320 0.001 0.000 0.203 499 K C 1.138 177.737 176.600 -0.003 0.000 1.052 499 K CA 1.247 57.532 56.287 -0.003 0.000 0.956 499 K CB -0.007 32.492 32.500 -0.003 0.000 0.735 499 K HN 0.896 nan 8.250 nan 0.000 0.451 500 G N 1.486 110.284 108.800 -0.004 0.000 2.975 500 G HA2 0.108 4.068 3.960 0.001 0.000 0.159 500 G HA3 0.108 4.068 3.960 0.001 0.000 0.159 500 G C 0.109 175.007 174.900 -0.003 0.000 1.525 500 G CA -0.419 44.679 45.100 -0.003 0.000 1.075 500 G HN 0.097 nan 8.290 nan 0.000 0.574 501 N N -1.413 117.285 118.700 -0.003 0.000 2.478 501 N HA 0.573 5.314 4.740 0.001 0.000 0.275 501 N C -1.047 174.460 175.510 -0.005 0.000 1.221 501 N CA -0.260 52.788 53.050 -0.003 0.000 0.979 501 N CB 2.000 40.485 38.487 -0.002 0.000 1.202 501 N HN 0.139 nan 8.380 nan 0.000 0.564 502 V N 0.213 120.124 119.914 -0.005 0.000 2.760 502 V HA 0.430 4.551 4.120 0.001 0.000 0.309 502 V C -0.684 175.406 176.094 -0.007 0.000 1.077 502 V CA -0.528 61.768 62.300 -0.007 0.000 0.910 502 V CB 2.076 33.894 31.823 -0.008 0.000 1.008 502 V HN 0.668 nan 8.190 nan 0.000 0.424 503 T N 5.829 120.379 114.554 -0.008 0.000 3.038 503 T HA 0.556 4.906 4.350 0.001 0.000 0.344 503 T C -0.430 174.264 174.700 -0.011 0.000 1.054 503 T CA -0.109 61.986 62.100 -0.007 0.000 1.092 503 T CB 0.365 69.230 68.868 -0.005 0.000 1.031 503 T HN 0.365 nan 8.240 nan 0.000 0.482 504 I N 3.872 124.434 120.570 -0.013 0.000 2.385 504 I HA 0.500 4.670 4.170 0.001 0.000 0.294 504 I C -0.391 175.716 176.117 -0.017 0.000 0.988 504 I CA -0.914 60.376 61.300 -0.017 0.000 1.265 504 I CB 1.259 39.248 38.000 -0.018 0.000 1.388 504 I HN 0.376 nan 8.210 nan 0.000 0.480 505 I N 7.331 127.888 120.570 -0.021 0.000 2.576 505 I HA 0.162 4.333 4.170 0.001 0.000 0.279 505 I C -0.492 175.610 176.117 -0.025 0.000 1.114 505 I CA -0.373 60.915 61.300 -0.020 0.000 1.076 505 I CB 1.570 39.560 38.000 -0.017 0.000 1.212 505 I HN 0.187 nan 8.210 nan 0.000 0.472 506 V N 6.412 126.311 119.914 -0.024 0.000 2.394 506 V HA 0.409 4.529 4.120 0.001 0.000 0.282 506 V C 0.986 177.066 176.094 -0.023 0.000 1.031 506 V CA 0.140 62.424 62.300 -0.027 0.000 0.881 506 V CB 1.776 33.583 31.823 -0.027 0.000 0.982 506 V HN 0.756 nan 8.190 nan 0.000 0.451 507 E N 3.834 124.020 120.200 -0.024 0.000 2.318 507 E HA 0.142 4.493 4.350 0.001 0.000 0.193 507 E C 1.379 177.969 176.600 -0.017 0.000 0.998 507 E CA 0.812 57.201 56.400 -0.019 0.000 0.859 507 E CB 0.399 30.088 29.700 -0.018 0.000 0.812 507 E HN 0.917 nan 8.360 nan 0.000 0.492 508 G N 0.872 109.660 108.800 -0.020 0.000 3.311 508 G HA2 0.106 4.067 3.960 0.001 0.000 0.169 508 G HA3 0.106 4.067 3.960 0.001 0.000 0.169 508 G C -0.039 174.850 174.900 -0.019 0.000 1.852 508 G CA -0.224 44.865 45.100 -0.018 0.000 1.010 508 G HN 0.054 nan 8.290 nan 0.000 0.530 509 N N -1.187 117.501 118.700 -0.020 0.000 2.380 509 N HA 0.647 5.387 4.740 0.001 0.000 0.290 509 N C -0.858 174.637 175.510 -0.026 0.000 1.236 509 N CA -0.293 52.743 53.050 -0.022 0.000 0.780 509 N CB 2.241 40.715 38.487 -0.021 0.000 1.438 509 N HN 0.627 nan 8.380 nan 0.000 0.491 510 A N 0.049 122.852 122.820 -0.029 0.000 2.342 510 A HA 0.586 4.907 4.320 0.001 0.000 0.323 510 A C -1.456 176.106 177.584 -0.036 0.000 1.125 510 A CA -0.626 51.392 52.037 -0.032 0.000 0.785 510 A CB 0.607 19.587 19.000 -0.035 0.000 1.221 510 A HN 0.709 nan 8.150 nan 0.000 0.463 511 D N 3.374 123.754 120.400 -0.034 0.000 2.621 511 D HA 0.254 4.894 4.640 0.001 0.000 0.274 511 D C -0.731 175.548 176.300 -0.035 0.000 1.215 511 D CA -0.067 53.911 54.000 -0.036 0.000 0.810 511 D CB 0.733 41.515 40.800 -0.030 0.000 1.248 511 D HN 0.299 nan 8.370 nan 0.000 0.517 512 I N 0.880 121.426 120.570 -0.040 0.000 2.823 512 I HA 0.207 4.378 4.170 0.001 0.000 0.290 512 I C 0.829 176.924 176.117 -0.036 0.000 1.091 512 I CA 0.445 61.723 61.300 -0.036 0.000 1.365 512 I CB 0.839 38.815 38.000 -0.040 0.000 1.427 512 I HN 0.023 nan 8.210 nan 0.000 0.583 513 T N 3.606 118.143 114.554 -0.028 0.000 3.172 513 T HA 0.433 4.783 4.350 0.001 0.000 0.320 513 T C -1.049 173.640 174.700 -0.019 0.000 1.085 513 T CA -0.462 61.623 62.100 -0.024 0.000 1.052 513 T CB 1.452 70.308 68.868 -0.020 0.000 1.107 513 T HN 0.179 nan 8.240 nan 0.000 0.458 514 V N 4.981 124.885 119.914 -0.017 0.000 2.289 514 V HA 0.243 4.364 4.120 0.001 0.000 0.272 514 V C 1.315 177.404 176.094 -0.007 0.000 1.026 514 V CA -0.833 61.460 62.300 -0.011 0.000 0.807 514 V CB 1.031 32.847 31.823 -0.011 0.000 1.044 514 V HN 0.782 nan 8.190 nan 0.000 0.443 515 K N 2.343 122.739 120.400 -0.006 0.000 2.228 515 K HA -0.127 4.194 4.320 0.001 0.000 0.205 515 K C 1.337 177.936 176.600 -0.002 0.000 1.045 515 K CA 1.458 57.743 56.287 -0.004 0.000 0.931 515 K CB 0.129 32.627 32.500 -0.003 0.000 0.727 515 K HN 0.738 nan 8.250 nan 0.000 0.458 516 G N 0.873 109.672 108.800 -0.002 0.000 3.227 516 G HA2 0.093 4.054 3.960 0.001 0.000 0.171 516 G HA3 0.093 4.054 3.960 0.001 0.000 0.171 516 G C -0.799 174.101 174.900 0.000 0.000 1.463 516 G CA -0.405 44.695 45.100 -0.001 0.000 1.016 516 G HN -0.004 nan 8.290 nan 0.000 0.594 517 D N 1.251 121.651 120.400 -0.000 0.000 2.349 517 D HA 0.541 5.181 4.640 0.001 0.000 0.232 517 D C 0.538 176.837 176.300 -0.001 0.000 1.071 517 D CA -0.073 53.927 54.000 0.000 0.000 0.832 517 D CB 1.683 42.483 40.800 -0.000 0.000 1.086 517 D HN 0.425 nan 8.370 nan 0.000 0.504 518 A N 2.067 124.887 122.820 -0.000 0.000 2.251 518 A HA 0.685 5.006 4.320 0.001 0.000 0.278 518 A C 0.470 178.052 177.584 -0.003 0.000 1.206 518 A CA -0.177 51.859 52.037 -0.002 0.000 0.822 518 A CB 0.904 19.904 19.000 -0.001 0.000 1.187 518 A HN 0.505 nan 8.150 nan 0.000 0.504 519 T N -1.397 113.155 114.554 -0.004 0.000 3.619 519 T HA 0.438 4.789 4.350 0.001 0.000 0.445 519 T C -0.585 174.110 174.700 -0.007 0.000 1.406 519 T CA 0.164 62.260 62.100 -0.008 0.000 1.078 519 T CB -0.452 68.410 68.868 -0.010 0.000 1.447 519 T HN 1.993 nan 8.240 nan 0.000 0.441 520 T N 2.009 116.558 114.554 -0.009 0.000 2.841 520 T HA 0.929 5.280 4.350 0.001 0.000 0.276 520 T C -0.713 173.979 174.700 -0.012 0.000 1.003 520 T CA -0.925 61.170 62.100 -0.007 0.000 0.995 520 T CB 1.867 70.734 68.868 -0.002 0.000 1.260 520 T HN 1.460 nan 8.240 nan 0.000 0.581 521 L N 1.268 122.485 121.223 -0.010 0.000 3.007 521 L HA 0.394 4.735 4.340 0.001 0.000 0.237 521 L C -0.957 175.909 176.870 -0.008 0.000 0.965 521 L CA -0.644 54.190 54.840 -0.011 0.000 1.116 521 L CB 0.719 42.772 42.059 -0.010 0.000 1.491 521 L HN 0.837 nan 8.230 nan 0.000 0.565 522 V N 1.149 121.059 119.914 -0.007 0.000 2.339 522 V HA 0.523 4.643 4.120 0.001 0.000 0.261 522 V C 1.269 177.361 176.094 -0.004 0.000 1.058 522 V CA -0.173 62.124 62.300 -0.004 0.000 0.897 522 V CB 1.132 32.953 31.823 -0.003 0.000 1.052 522 V HN 0.792 nan 8.190 nan 0.000 0.480 523 E N 4.481 124.679 120.200 -0.003 0.000 2.130 523 E HA -0.010 4.341 4.350 0.001 0.000 0.196 523 E C 1.494 178.093 176.600 -0.002 0.000 0.998 523 E CA 1.944 58.343 56.400 -0.002 0.000 0.806 523 E CB -0.205 29.494 29.700 -0.002 0.000 0.738 523 E HN 0.984 nan 8.360 nan 0.000 0.459 524 G N -1.101 107.698 108.800 -0.002 0.000 3.022 524 G HA2 0.143 4.103 3.960 0.001 0.000 0.157 524 G HA3 0.143 4.103 3.960 0.001 0.000 0.157 524 G C -0.226 174.673 174.900 -0.002 0.000 1.468 524 G CA -0.353 44.746 45.100 -0.001 0.000 1.058 524 G HN 0.156 nan 8.290 nan 0.000 0.581 525 N N -0.681 118.018 118.700 -0.002 0.000 2.495 525 N HA 0.469 5.210 4.740 0.001 0.000 0.280 525 N C -0.417 175.091 175.510 -0.002 0.000 1.168 525 N CA -0.274 52.774 53.050 -0.003 0.000 0.978 525 N CB 1.502 39.987 38.487 -0.004 0.000 1.191 525 N HN 0.486 nan 8.380 nan 0.000 0.497 526 Q N -0.129 119.670 119.800 -0.003 0.000 2.495 526 Q HA 0.576 4.917 4.340 0.001 0.000 0.287 526 Q C -1.822 174.178 176.000 0.001 0.000 1.078 526 Q CA -0.741 55.063 55.803 0.002 0.000 0.793 526 Q CB 1.796 30.537 28.738 0.006 0.000 1.459 526 Q HN 0.603 nan 8.270 nan 0.000 0.422 527 T N 1.411 115.969 114.554 0.008 0.000 4.266 527 T HA 0.358 4.708 4.350 0.001 0.000 0.368 527 T C -1.851 172.860 174.700 0.018 0.000 0.992 527 T CA -0.819 61.286 62.100 0.008 0.000 1.044 527 T CB 0.292 69.160 68.868 0.001 0.000 1.150 527 T HN 0.627 nan 8.240 nan 0.000 0.470 528 N N 3.078 121.797 118.700 0.031 0.000 2.466 528 N HA 0.693 5.433 4.740 0.001 0.000 0.294 528 N C -0.589 174.944 175.510 0.038 0.000 1.129 528 N CA -0.455 52.620 53.050 0.041 0.000 0.931 528 N CB 2.026 40.555 38.487 0.070 0.000 1.193 528 N HN 0.674 nan 8.380 nan 0.000 0.500 529 T N -0.217 114.356 114.554 0.032 0.000 2.906 529 T HA 0.531 4.881 4.350 0.001 0.000 0.295 529 T C -0.532 174.184 174.700 0.028 0.000 1.061 529 T CA -0.531 61.586 62.100 0.028 0.000 1.000 529 T CB 1.778 70.656 68.868 0.017 0.000 1.103 529 T HN 0.162 nan 8.240 nan 0.000 0.486 530 V N 2.994 122.926 119.914 0.029 0.000 2.658 530 V HA 0.222 4.343 4.120 0.001 0.000 0.259 530 V C 0.124 176.231 176.094 0.021 0.000 0.933 530 V CA -0.900 61.415 62.300 0.025 0.000 0.871 530 V CB 0.965 32.810 31.823 0.037 0.000 1.062 530 V HN 0.787 nan 8.190 nan 0.000 0.479 531 N N 2.661 121.369 118.700 0.014 0.000 2.680 531 N HA 0.019 4.760 4.740 0.001 0.000 0.197 531 N C 0.982 176.499 175.510 0.012 0.000 1.288 531 N CA 1.054 54.111 53.050 0.012 0.000 0.924 531 N CB 0.458 38.950 38.487 0.008 0.000 1.025 531 N HN 0.829 nan 8.380 nan 0.000 0.447 532 G N -0.914 107.895 108.800 0.014 0.000 3.377 532 G HA2 0.315 4.275 3.960 0.001 0.000 0.182 532 G HA3 0.315 4.275 3.960 0.001 0.000 0.182 532 G C -0.867 174.045 174.900 0.021 0.000 1.166 532 G CA -0.651 44.457 45.100 0.013 0.000 0.771 532 G HN 0.181 nan 8.290 nan 0.000 0.701 533 N N 0.069 118.781 118.700 0.019 0.000 2.372 533 N HA 0.489 5.229 4.740 0.001 0.000 0.285 533 N C -1.033 174.496 175.510 0.033 0.000 1.008 533 N CA -0.574 52.494 53.050 0.030 0.000 0.880 533 N CB 2.641 41.144 38.487 0.027 0.000 1.239 533 N HN 0.295 nan 8.380 nan 0.000 0.484 534 L N 1.851 123.112 121.223 0.064 0.000 2.456 534 L HA 0.568 4.909 4.340 0.001 0.000 0.257 534 L C -0.157 176.767 176.870 0.091 0.000 1.162 534 L CA 0.410 55.300 54.840 0.084 0.000 0.808 534 L CB 1.320 43.488 42.059 0.182 0.000 1.136 534 L HN 0.546 nan 8.230 nan 0.000 0.466 535 S N 2.008 117.732 115.700 0.040 0.000 2.511 535 S HA 0.403 4.874 4.470 0.001 0.000 0.283 535 S C -1.722 172.844 174.600 -0.057 0.000 1.078 535 S CA -0.661 57.578 58.200 0.065 0.000 0.994 535 S CB -0.147 63.063 63.200 0.016 0.000 1.171 535 S HN 0.511 nan 8.310 nan 0.000 0.444 536 W N 3.114 124.446 121.300 0.054 0.000 2.485 536 W HA 0.767 5.427 4.660 0.001 0.000 0.364 536 W C 0.613 177.159 176.519 0.046 0.000 1.171 536 W CA -0.624 56.754 57.345 0.055 0.000 1.304 536 W CB 0.788 30.296 29.460 0.080 0.000 1.335 536 W HN 0.435 nan 8.180 nan 0.000 0.643 537 K N 1.614 122.176 120.400 0.270 0.000 3.333 537 K HA 0.188 4.508 4.320 0.001 0.000 0.173 537 K C -1.566 175.129 176.600 0.159 0.000 1.138 537 K CA -0.220 56.165 56.287 0.163 0.000 0.771 537 K CB 0.400 32.948 32.500 0.080 0.000 0.982 537 K HN 0.289 nan 8.250 nan 0.000 0.572 538 V N 2.296 122.332 119.914 0.203 0.000 2.381 538 V HA 0.107 4.228 4.120 0.001 0.000 0.257 538 V C 1.777 177.931 176.094 0.099 0.000 1.057 538 V CA 0.386 62.780 62.300 0.158 0.000 1.013 538 V CB 0.474 32.396 31.823 0.165 0.000 1.069 538 V HN 0.496 nan 8.190 nan 0.000 0.484 539 A N 4.165 127.030 122.820 0.076 0.000 2.076 539 A HA 0.110 4.430 4.320 0.001 0.000 0.220 539 A C 1.619 179.231 177.584 0.046 0.000 1.160 539 A CA 1.619 53.688 52.037 0.054 0.000 0.653 539 A CB -0.251 18.774 19.000 0.042 0.000 0.801 539 A HN 0.863 nan 8.150 nan 0.000 0.455 540 G N -1.863 106.966 108.800 0.047 0.000 3.134 540 G HA2 0.443 4.404 3.960 0.001 0.000 0.158 540 G HA3 0.443 4.404 3.960 0.001 0.000 0.158 540 G C 0.429 175.350 174.900 0.035 0.000 1.334 540 G CA 0.580 45.701 45.100 0.035 0.000 1.001 540 G HN 0.255 nan 8.290 nan 0.000 0.600 541 T N -1.129 113.440 114.554 0.025 0.000 3.092 541 T HA 0.513 4.863 4.350 0.001 0.000 0.374 541 T C -0.252 174.462 174.700 0.023 0.000 1.190 541 T CA 0.142 62.254 62.100 0.020 0.000 1.021 541 T CB 0.686 69.559 68.868 0.009 0.000 1.556 541 T HN 0.563 nan 8.240 nan 0.000 0.540 542 V N -0.311 119.613 119.914 0.015 0.000 3.265 542 V HA 0.557 4.677 4.120 0.001 0.000 0.275 542 V C -1.860 174.246 176.094 0.021 0.000 1.684 542 V CA -0.980 61.326 62.300 0.010 0.000 1.032 542 V CB 2.386 34.254 31.823 0.074 0.000 1.250 542 V HN 1.031 nan 8.190 nan 0.000 0.468 543 D N 0.117 120.511 120.400 -0.009 0.000 2.785 543 D HA 0.275 4.916 4.640 0.001 0.000 0.239 543 D C -2.497 173.782 176.300 -0.034 0.000 1.142 543 D CA -0.273 53.765 54.000 0.064 0.000 0.734 543 D CB 1.499 42.297 40.800 -0.003 0.000 1.820 543 D HN 0.473 nan 8.370 nan 0.000 0.461 544 W N 2.789 124.091 121.300 0.004 0.000 2.423 544 W HA 0.239 4.899 4.660 0.001 0.000 0.286 544 W C 0.124 176.674 176.519 0.052 0.000 1.001 544 W CA -0.707 56.671 57.345 0.054 0.000 1.643 544 W CB 0.740 30.293 29.460 0.155 0.000 1.593 544 W HN 0.165 nan 8.180 nan 0.000 0.403 545 D N 2.118 122.619 120.400 0.168 0.000 2.885 545 D HA -0.007 4.634 4.640 0.001 0.000 0.234 545 D C -0.165 176.217 176.300 0.138 0.000 1.129 545 D CA 0.306 54.378 54.000 0.120 0.000 0.991 545 D CB 0.193 41.027 40.800 0.056 0.000 1.137 545 D HN 0.102 nan 8.370 nan 0.000 0.459 546 V N 1.494 121.539 119.914 0.217 0.000 2.405 546 V HA 0.439 4.560 4.120 0.001 0.000 0.264 546 V C 1.335 177.514 176.094 0.142 0.000 1.048 546 V CA -0.051 62.372 62.300 0.205 0.000 0.966 546 V CB 0.919 32.937 31.823 0.325 0.000 1.015 546 V HN 0.374 nan 8.190 nan 0.000 0.477 547 G N 4.832 113.690 108.800 0.096 0.000 3.327 547 G HA2 0.493 4.453 3.960 0.001 0.000 0.240 547 G HA3 0.493 4.453 3.960 0.001 0.000 0.240 547 G C 0.398 175.338 174.900 0.066 0.000 1.222 547 G CA 0.371 45.514 45.100 0.071 0.000 0.871 547 G HN 1.102 nan 8.290 nan 0.000 0.525 548 G N -0.856 107.995 108.800 0.085 0.000 2.816 548 G HA2 0.479 4.440 3.960 0.001 0.000 0.288 548 G HA3 0.479 4.440 3.960 0.001 0.000 0.288 548 G C -1.322 173.635 174.900 0.096 0.000 1.334 548 G CA -0.679 44.463 45.100 0.070 0.000 0.978 548 G HN 0.004 nan 8.290 nan 0.000 0.493 549 D N 0.417 120.862 120.400 0.076 0.000 2.348 549 D HA 0.103 4.743 4.640 0.001 0.000 0.253 549 D C -0.363 176.017 176.300 0.133 0.000 1.161 549 D CA 0.167 54.226 54.000 0.099 0.000 0.876 549 D CB 1.459 42.296 40.800 0.063 0.000 1.160 549 D HN 0.227 nan 8.370 nan 0.000 0.459 550 W N 1.918 123.201 121.300 -0.028 0.000 2.298 550 W HA 0.418 5.078 4.660 0.001 0.000 0.358 550 W C -0.307 176.184 176.519 -0.047 0.000 1.241 550 W CA -0.334 56.981 57.345 -0.050 0.000 1.385 550 W CB 1.636 31.044 29.460 -0.088 0.000 1.225 550 W HN 0.242 nan 8.180 nan 0.000 0.654 551 T N 2.274 116.977 114.554 0.248 0.000 3.343 551 T HA 0.288 4.638 4.350 0.001 0.000 0.383 551 T C -1.903 172.877 174.700 0.133 0.000 1.615 551 T CA -0.550 61.677 62.100 0.212 0.000 1.153 551 T CB 0.537 69.436 68.868 0.052 0.000 1.434 551 T HN 0.542 nan 8.240 nan 0.000 0.476 552 E N 2.365 122.680 120.200 0.193 0.000 2.347 552 E HA 0.632 4.983 4.350 0.001 0.000 0.285 552 E C -1.848 174.805 176.600 0.088 0.000 0.925 552 E CA -1.252 55.231 56.400 0.140 0.000 0.779 552 E CB 1.487 31.358 29.700 0.284 0.000 1.233 552 E HN 0.217 nan 8.360 nan 0.000 0.414 553 K N 2.848 123.280 120.400 0.053 0.000 2.464 553 K HA 0.361 4.682 4.320 0.001 0.000 0.252 553 K C -0.678 175.944 176.600 0.036 0.000 1.000 553 K CA -0.392 55.918 56.287 0.038 0.000 0.951 553 K CB 1.025 33.541 32.500 0.026 0.000 1.183 553 K HN 0.494 nan 8.250 nan 0.000 0.445 554 M N 0.354 119.975 119.600 0.035 0.000 2.208 554 M HA 0.450 4.931 4.480 0.001 0.000 0.199 554 M C 1.199 177.514 176.300 0.025 0.000 0.987 554 M CA 0.580 55.900 55.300 0.032 0.000 1.703 554 M CB -0.089 32.530 32.600 0.031 0.000 1.054 554 M HN 0.584 nan 8.290 nan 0.000 0.830 555 A N -1.845 120.989 122.820 0.023 0.000 1.757 555 A HA 0.459 4.779 4.320 0.001 0.000 0.205 555 A C 0.534 178.127 177.584 0.014 0.000 1.791 555 A CA 0.541 52.589 52.037 0.018 0.000 1.282 555 A CB -0.225 18.786 19.000 0.019 0.000 1.297 555 A HN 0.679 nan 8.150 nan 0.000 0.422 556 S N -1.703 114.007 115.700 0.017 0.000 2.851 556 S HA 0.829 5.299 4.470 0.001 0.000 0.313 556 S C -0.781 173.829 174.600 0.015 0.000 1.163 556 S CA -0.132 58.076 58.200 0.013 0.000 0.850 556 S CB 1.629 64.838 63.200 0.014 0.000 1.245 556 S HN 1.145 nan 8.310 nan 0.000 0.558 557 M N 1.303 120.910 119.600 0.012 0.000 2.522 557 M HA 0.400 4.881 4.480 0.001 0.000 0.171 557 M C -1.770 174.536 176.300 0.010 0.000 0.944 557 M CA 0.074 55.382 55.300 0.013 0.000 0.844 557 M CB 1.080 33.685 32.600 0.008 0.000 2.871 557 M HN 0.530 nan 8.290 nan 0.000 0.391 558 S N 1.632 117.343 115.700 0.019 0.000 2.979 558 S HA 0.199 4.670 4.470 0.001 0.000 0.210 558 S C 0.481 175.100 174.600 0.032 0.000 1.364 558 S CA -0.229 57.981 58.200 0.017 0.000 1.208 558 S CB 0.029 63.242 63.200 0.020 0.000 1.167 558 S HN 0.689 nan 8.310 nan 0.000 0.519 559 S N 2.577 118.301 115.700 0.040 0.000 4.053 559 S HA 0.195 4.666 4.470 0.001 0.000 0.184 559 S C 0.291 174.966 174.600 0.124 0.000 1.324 559 S CA -0.447 57.811 58.200 0.096 0.000 0.956 559 S CB -0.999 62.285 63.200 0.141 0.000 1.503 559 S HN 0.507 nan 8.310 nan 0.000 0.440 560 I N 2.645 123.260 120.570 0.076 0.000 2.322 560 I HA 0.160 4.330 4.170 0.001 0.000 0.292 560 I C 0.718 176.902 176.117 0.111 0.000 1.060 560 I CA -0.297 61.037 61.300 0.056 0.000 1.309 560 I CB 0.996 39.011 38.000 0.025 0.000 1.415 560 I HN 0.295 nan 8.210 nan 0.000 0.492 561 S N 3.698 119.501 115.700 0.173 0.000 2.610 561 S HA 0.149 4.619 4.470 0.001 0.000 0.273 561 S C 1.116 175.777 174.600 0.102 0.000 1.274 561 S CA -0.428 57.885 58.200 0.188 0.000 1.023 561 S CB 1.594 65.017 63.200 0.372 0.000 0.962 561 S HN 0.669 nan 8.310 nan 0.000 0.523 562 S N 2.471 118.217 115.700 0.076 0.000 2.478 562 S HA 0.301 4.772 4.470 0.001 0.000 0.222 562 S C 0.848 175.476 174.600 0.047 0.000 1.008 562 S CA 0.944 59.174 58.200 0.050 0.000 0.928 562 S CB -0.485 62.739 63.200 0.040 0.000 0.781 562 S HN 0.885 nan 8.310 nan 0.000 0.518 563 G N 0.156 108.992 108.800 0.060 0.000 3.310 563 G HA2 0.435 4.396 3.960 0.001 0.000 0.174 563 G HA3 0.435 4.396 3.960 0.001 0.000 0.174 563 G C -0.749 174.198 174.900 0.078 0.000 1.097 563 G CA -0.351 44.780 45.100 0.052 0.000 0.795 563 G HN 0.355 nan 8.290 nan 0.000 0.670 564 Q N -0.990 118.847 119.800 0.062 0.000 2.726 564 Q HA 0.430 4.770 4.340 0.001 0.000 0.242 564 Q C -1.347 174.740 176.000 0.145 0.000 1.130 564 Q CA 0.483 56.331 55.803 0.077 0.000 1.031 564 Q CB 0.123 28.882 28.738 0.034 0.000 1.326 564 Q HN 0.504 nan 8.270 nan 0.000 0.572 565 Y N -1.166 119.122 120.300 -0.020 0.000 2.702 565 Y HA 0.492 5.042 4.550 0.001 0.000 0.336 565 Y C -1.013 174.868 175.900 -0.032 0.000 1.203 565 Y CA 0.355 58.437 58.100 -0.029 0.000 1.072 565 Y CB 1.832 40.274 38.460 -0.030 0.000 1.327 565 Y HN 0.835 nan 8.280 nan 0.000 0.456 566 T N 2.880 117.464 114.554 0.051 0.000 2.726 566 T HA 0.679 5.030 4.350 0.001 0.000 0.314 566 T C -2.232 172.461 174.700 -0.012 0.000 1.836 566 T CA -0.300 61.830 62.100 0.050 0.000 0.999 566 T CB 0.558 69.419 68.868 -0.012 0.000 1.800 566 T HN 0.667 nan 8.240 nan 0.000 0.507 567 I N 0.889 121.460 120.570 0.001 0.000 3.298 567 I HA 0.717 4.888 4.170 0.001 0.000 0.315 567 I C -1.177 174.924 176.117 -0.026 0.000 1.293 567 I CA -0.863 60.420 61.300 -0.028 0.000 0.926 567 I CB 2.558 40.556 38.000 -0.003 0.000 1.321 567 I HN 0.941 nan 8.210 nan 0.000 0.487 568 D N -0.525 119.854 120.400 -0.035 0.000 2.893 568 D HA 0.650 5.290 4.640 0.001 0.000 0.346 568 D C -1.083 175.199 176.300 -0.030 0.000 1.402 568 D CA 0.691 54.675 54.000 -0.027 0.000 0.815 568 D CB 1.770 42.554 40.800 -0.025 0.000 1.403 568 D HN 1.097 nan 8.370 nan 0.000 0.484 569 G N -0.946 107.841 108.800 -0.022 0.000 2.334 569 G HA2 0.263 4.223 3.960 0.001 0.000 0.566 569 G HA3 0.263 4.223 3.960 0.001 0.000 0.566 569 G C -0.096 174.797 174.900 -0.012 0.000 1.413 569 G CA 0.178 45.266 45.100 -0.019 0.000 0.993 569 G HN 0.666 nan 8.290 nan 0.000 0.642 570 S N -0.531 115.164 115.700 -0.009 0.000 2.723 570 S HA 0.229 4.700 4.470 0.001 0.000 0.231 570 S C 0.777 175.374 174.600 -0.006 0.000 0.967 570 S CA 1.705 59.902 58.200 -0.005 0.000 0.958 570 S CB -0.669 62.530 63.200 -0.002 0.000 0.778 570 S HN 1.228 nan 8.310 nan 0.000 0.537 571 R N -0.615 119.880 120.500 -0.009 0.000 4.584 571 R HA 0.215 4.555 4.340 0.001 0.000 0.251 571 R C -2.566 173.726 176.300 -0.013 0.000 0.957 571 R CA -0.503 55.592 56.100 -0.009 0.000 1.195 571 R CB -0.292 30.004 30.300 -0.006 0.000 1.233 571 R HN 0.208 nan 8.270 nan 0.000 0.630 572 I N 3.661 124.223 120.570 -0.012 0.000 2.686 572 I HA 0.574 4.744 4.170 0.001 0.000 0.295 572 I C -1.293 174.817 176.117 -0.013 0.000 1.114 572 I CA -0.123 61.168 61.300 -0.015 0.000 1.038 572 I CB 2.232 40.223 38.000 -0.015 0.000 1.238 572 I HN 0.691 nan 8.210 nan 0.000 0.420 573 D N 4.789 125.181 120.400 -0.014 0.000 2.766 573 D HA 0.234 4.875 4.640 0.001 0.000 0.244 573 D C -1.227 175.065 176.300 -0.014 0.000 1.198 573 D CA -0.334 53.659 54.000 -0.012 0.000 0.739 573 D CB 1.330 42.125 40.800 -0.009 0.000 1.379 573 D HN 0.178 nan 8.370 nan 0.000 0.437 574 I N 1.040 121.602 120.570 -0.013 0.000 2.976 574 I HA 0.281 4.452 4.170 0.001 0.000 0.328 574 I C 1.211 177.322 176.117 -0.011 0.000 1.396 574 I CA -0.396 60.896 61.300 -0.014 0.000 0.869 574 I CB 1.190 39.180 38.000 -0.017 0.000 2.156 574 I HN 0.631 nan 8.210 nan 0.000 0.595 575 G N 3.246 112.041 108.800 -0.008 0.000 2.444 575 G HA2 0.214 4.175 3.960 0.001 0.000 0.289 575 G HA3 0.214 4.175 3.960 0.001 0.000 0.289 575 G C 0.792 175.688 174.900 -0.006 0.000 0.814 575 G CA 0.793 45.889 45.100 -0.006 0.000 1.820 575 G HN 0.803 nan 8.290 nan 0.000 0.453 576 S N 0.000 115.696 115.700 -0.007 0.000 2.498 576 S HA 0.000 4.470 4.470 0.001 0.000 0.327 576 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 576 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 576 S HN 0.000 nan 8.310 nan 0.000 0.517