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 1z2z_1_A DATA FIRST_RESID 2 DATA SEQUENCE EVPEIEKQIG INLYSTDTTG LGGQLRQEIE DFIVKEITNR EEGEEGKYLI DATA SEQUENCE VELTKRDWDT HHLTRTLSRI LQVSQKRISV AGTKDKRALT TQKISIFDTD DATA SEQUENCE ASEIEKIHLK DIELKVLGRS RKSVELGDLW GNDFRITVRN IENSPEETEA DATA SEQUENCE LLKKTTDEIL AQGGVPNFFG IQRFGSVRPV THLVGKAIVE GNFEKAALLY DATA SEQUENCE IAEPFPEEPE ETKNARQFVK DTLDFKEGLK TYPLRLGHER AXXNHLIANP DATA SEQUENCE EDYSGSFRVL PQNLYRXFVH GYQSYIYNII LCRRIEAGIP LNRAVEGDIV DATA SEQUENCE CFRNEVGLPD SSKTEKVTSE TVNAXNRLLK LGRAFITAPL PGYNTEFASG DATA SEQUENCE IPGEIENGVL KELGVSLEGF NIEKFPEXSS KGTRREVLLE VKPKFEAGED DATA SEQUENCE ELNPGKSKAV LEFXLPKGSY ATTVLREYXK VNPLQ 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.672 176.600 0.120 0.000 1.382 2 E CA 0.000 56.441 56.400 0.067 0.000 0.976 2 E CB 0.000 29.723 29.700 0.038 0.000 0.812 3 V N 3.550 123.500 119.914 0.060 0.000 2.656 3 V HA 0.442 4.561 4.120 -0.000 0.000 0.307 3 V C -2.090 173.996 176.094 -0.014 0.000 1.051 3 V CA -1.772 60.542 62.300 0.023 0.000 0.893 3 V CB 2.100 33.851 31.823 -0.120 0.000 0.999 3 V HN 0.470 nan 8.190 nan 0.000 0.426 4 P HA 0.080 nan 4.420 nan 0.000 0.266 4 P C 0.547 177.820 177.300 -0.045 0.000 1.195 4 P CA 0.100 63.188 63.100 -0.019 0.000 0.768 4 P CB 1.065 32.761 31.700 -0.006 0.000 0.838 5 E N 1.810 121.985 120.200 -0.041 0.000 2.130 5 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 5 E C 1.908 178.474 176.600 -0.057 0.000 0.998 5 E CA 1.110 57.481 56.400 -0.049 0.000 0.806 5 E CB -0.202 29.470 29.700 -0.046 0.000 0.738 5 E HN 0.403 nan 8.360 nan 0.000 0.459 6 I N 1.336 121.874 120.570 -0.053 0.000 2.194 6 I HA -0.266 3.904 4.170 -0.000 0.000 0.246 6 I C 2.064 178.142 176.117 -0.065 0.000 1.093 6 I CA 1.455 62.726 61.300 -0.050 0.000 1.355 6 I CB -0.962 37.022 38.000 -0.027 0.000 1.046 6 I HN 0.182 nan 8.210 nan 0.000 0.413 7 E N 0.126 120.277 120.200 -0.083 0.000 2.216 7 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 7 E C 2.002 178.507 176.600 -0.159 0.000 0.988 7 E CA 0.488 56.809 56.400 -0.131 0.000 0.834 7 E CB 0.066 29.668 29.700 -0.163 0.000 0.772 7 E HN 0.484 nan 8.360 nan 0.000 0.479 8 K N 0.563 120.890 120.400 -0.121 0.000 2.296 8 K HA -0.061 4.258 4.320 -0.000 0.000 0.200 8 K C 1.730 178.303 176.600 -0.044 0.000 1.048 8 K CA 0.625 56.852 56.287 -0.099 0.000 0.966 8 K CB 0.123 32.578 32.500 -0.075 0.000 0.754 8 K HN 0.058 nan 8.250 nan 0.000 0.466 9 Q N 0.729 120.499 119.800 -0.050 0.000 2.482 9 Q HA 0.031 4.370 4.340 -0.000 0.000 0.209 9 Q C 0.993 176.938 176.000 -0.092 0.000 0.961 9 Q CA 0.578 56.374 55.803 -0.012 0.000 0.945 9 Q CB 0.082 28.813 28.738 -0.011 0.000 1.012 9 Q HN 0.482 nan 8.270 nan 0.000 0.515 10 I N -5.858 114.595 120.570 -0.196 0.000 3.241 10 I HA 0.520 4.690 4.170 -0.000 0.000 0.333 10 I C 0.705 176.731 176.117 -0.152 0.000 1.534 10 I CA -0.110 60.900 61.300 -0.483 0.000 0.979 10 I CB 0.438 37.801 38.000 -1.061 0.000 1.497 10 I HN 0.108 nan 8.210 nan 0.000 0.530 11 G N 2.376 111.145 108.800 -0.052 0.000 2.498 11 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.229 11 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.229 11 G C 0.284 175.066 174.900 -0.197 0.000 1.156 11 G CA 0.271 45.204 45.100 -0.279 0.000 0.680 11 G HN 0.457 nan 8.290 nan 0.000 0.512 12 I N 2.513 122.941 120.570 -0.237 0.000 2.754 12 I HA 0.284 4.453 4.170 -0.000 0.000 0.285 12 I C 1.032 176.935 176.117 -0.357 0.000 1.166 12 I CA 0.895 61.917 61.300 -0.464 0.000 1.417 12 I CB 0.635 38.226 38.000 -0.681 0.000 1.382 12 I HN 0.553 nan 8.210 nan 0.000 0.588 13 N N 6.204 124.679 118.700 -0.375 0.000 2.194 13 N HA 0.162 4.902 4.740 -0.000 0.000 0.233 13 N C -0.896 174.448 175.510 -0.277 0.000 1.392 13 N CA -0.202 52.687 53.050 -0.269 0.000 0.790 13 N CB -0.093 38.299 38.487 -0.158 0.000 1.291 13 N HN 0.643 nan 8.380 nan 0.000 0.518 14 L N -3.633 117.328 121.223 -0.436 0.000 2.834 14 L HA 0.717 5.057 4.340 -0.000 0.000 0.277 14 L C -2.018 174.482 176.870 -0.616 0.000 0.944 14 L CA -1.013 53.611 54.840 -0.360 0.000 1.065 14 L CB 0.599 42.603 42.059 -0.091 0.000 1.623 14 L HN -0.164 nan 8.230 nan 0.000 0.347 15 Y N -0.568 119.737 120.300 0.009 0.000 2.441 15 Y HA 0.461 5.011 4.550 -0.000 0.000 0.334 15 Y C 0.920 176.849 175.900 0.049 0.000 1.061 15 Y CA -0.151 57.971 58.100 0.035 0.000 1.032 15 Y CB 2.196 40.650 38.460 -0.011 0.000 1.266 15 Y HN 0.725 nan 8.280 nan 0.000 0.441 16 S N 0.096 115.929 115.700 0.221 0.000 2.442 16 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 16 S C 0.687 175.326 174.600 0.065 0.000 1.007 16 S CA 1.260 59.528 58.200 0.112 0.000 0.965 16 S CB -0.578 62.666 63.200 0.075 0.000 0.773 16 S HN 0.740 nan 8.310 nan 0.000 0.504 17 T N 0.278 114.872 114.554 0.068 0.000 2.867 17 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 17 T C -0.157 174.533 174.700 -0.016 0.000 1.000 17 T CA -0.295 61.795 62.100 -0.016 0.000 1.042 17 T CB 1.593 70.401 68.868 -0.101 0.000 0.973 17 T HN 0.323 nan 8.240 nan 0.000 0.465 18 D N 0.011 120.385 120.400 -0.042 0.000 2.342 18 D HA 0.117 4.757 4.640 -0.000 0.000 0.221 18 D C 0.872 177.120 176.300 -0.087 0.000 1.101 18 D CA -0.426 53.548 54.000 -0.043 0.000 0.837 18 D CB -0.239 40.545 40.800 -0.027 0.000 0.938 18 D HN 0.693 nan 8.370 nan 0.000 0.508 19 T N -2.707 111.770 114.554 -0.129 0.000 2.813 19 T HA 0.221 4.571 4.350 -0.000 0.000 0.297 19 T C 0.545 175.140 174.700 -0.174 0.000 1.036 19 T CA -0.706 61.304 62.100 -0.150 0.000 1.044 19 T CB 1.298 70.052 68.868 -0.189 0.000 0.993 19 T HN 0.041 nan 8.240 nan 0.000 0.535 20 T N 0.140 114.606 114.554 -0.147 0.000 2.910 20 T HA 0.450 4.800 4.350 -0.000 0.000 0.293 20 T C 0.984 175.584 174.700 -0.167 0.000 1.015 20 T CA -0.303 61.711 62.100 -0.143 0.000 1.094 20 T CB -0.203 68.608 68.868 -0.095 0.000 0.968 20 T HN 0.952 nan 8.240 nan 0.000 0.521 21 G N 4.672 113.364 108.800 -0.180 0.000 2.327 21 G HA2 0.167 4.127 3.960 -0.000 0.000 0.278 21 G HA3 0.167 4.127 3.960 -0.000 0.000 0.278 21 G C 1.089 175.937 174.900 -0.086 0.000 1.145 21 G CA -0.366 44.633 45.100 -0.167 0.000 1.097 21 G HN 0.947 nan 8.290 nan 0.000 0.430 22 L N 3.256 124.441 121.223 -0.062 0.000 2.189 22 L HA 0.032 4.371 4.340 -0.000 0.000 0.214 22 L C 1.990 178.861 176.870 0.001 0.000 1.097 22 L CA 1.665 56.495 54.840 -0.016 0.000 0.764 22 L CB -0.336 41.741 42.059 0.030 0.000 0.900 22 L HN 0.944 nan 8.230 nan 0.000 0.436 23 G N -1.288 107.513 108.800 0.002 0.000 2.575 23 G HA2 0.032 3.992 3.960 -0.000 0.000 0.267 23 G HA3 0.032 3.992 3.960 -0.000 0.000 0.267 23 G C 0.460 175.379 174.900 0.032 0.000 1.264 23 G CA -0.337 44.772 45.100 0.014 0.000 0.935 23 G HN 1.395 nan 8.290 nan 0.000 0.568 24 G N -1.960 106.859 108.800 0.031 0.000 2.627 24 G HA2 0.501 4.461 3.960 -0.000 0.000 0.214 24 G HA3 0.501 4.461 3.960 -0.000 0.000 0.214 24 G C -0.269 174.659 174.900 0.046 0.000 1.331 24 G CA 0.953 46.076 45.100 0.039 0.000 0.891 24 G HN 2.465 nan 8.290 nan 0.000 0.539 25 Q N -1.388 118.443 119.800 0.053 0.000 2.495 25 Q HA 0.853 5.193 4.340 -0.000 0.000 0.287 25 Q C -0.834 175.212 176.000 0.077 0.000 1.078 25 Q CA -1.243 54.595 55.803 0.059 0.000 0.793 25 Q CB 2.304 31.069 28.738 0.046 0.000 1.459 25 Q HN 0.813 nan 8.270 nan 0.000 0.422 26 L N 0.037 121.313 121.223 0.088 0.000 2.283 26 L HA 0.592 4.932 4.340 -0.000 0.000 0.259 26 L C -0.248 176.686 176.870 0.108 0.000 1.027 26 L CA -1.298 53.618 54.840 0.126 0.000 0.828 26 L CB 1.650 43.817 42.059 0.179 0.000 1.380 26 L HN 0.759 nan 8.230 nan 0.000 0.425 27 R N 0.207 120.796 120.500 0.149 0.000 3.641 27 R HA -0.197 4.143 4.340 -0.000 0.000 0.286 27 R C 1.093 177.435 176.300 0.070 0.000 1.153 27 R CA 0.716 56.878 56.100 0.103 0.000 0.775 27 R CB -1.655 28.660 30.300 0.025 0.000 1.215 27 R HN 0.670 nan 8.270 nan 0.000 0.474 28 Q N 0.050 119.895 119.800 0.075 0.000 2.172 28 Q HA -0.057 4.283 4.340 -0.000 0.000 0.200 28 Q C -0.260 175.770 176.000 0.049 0.000 0.964 28 Q CA 1.085 56.919 55.803 0.053 0.000 0.855 28 Q CB 0.412 29.180 28.738 0.050 0.000 0.918 28 Q HN 0.227 nan 8.270 nan 0.000 0.444 29 E N 0.019 120.257 120.200 0.063 0.000 2.263 29 E HA 0.102 4.452 4.350 -0.000 0.000 0.268 29 E C 1.004 177.651 176.600 0.078 0.000 0.884 29 E CA -0.385 56.051 56.400 0.059 0.000 0.766 29 E CB 1.564 31.295 29.700 0.052 0.000 1.196 29 E HN 0.028 nan 8.360 nan 0.000 0.416 30 I N 1.394 122.006 120.570 0.070 0.000 2.130 30 I HA -0.349 3.821 4.170 -0.000 0.000 0.241 30 I C 1.419 177.603 176.117 0.111 0.000 1.023 30 I CA 1.721 63.073 61.300 0.088 0.000 1.293 30 I CB -0.935 37.110 38.000 0.075 0.000 1.001 30 I HN 0.527 nan 8.210 nan 0.000 0.407 31 E N 0.695 120.947 120.200 0.087 0.000 2.510 31 E HA -0.152 4.198 4.350 -0.000 0.000 0.202 31 E C 1.263 177.915 176.600 0.087 0.000 1.072 31 E CA 0.466 56.914 56.400 0.081 0.000 0.883 31 E CB -0.428 29.305 29.700 0.054 0.000 0.818 31 E HN 0.437 nan 8.360 nan 0.000 0.548 32 D N -0.923 119.546 120.400 0.115 0.000 2.363 32 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 32 D C -0.693 175.710 176.300 0.172 0.000 1.020 32 D CA 0.402 54.473 54.000 0.118 0.000 0.892 32 D CB 0.074 40.948 40.800 0.124 0.000 0.900 32 D HN 0.101 nan 8.370 nan 0.000 0.531 33 F N 0.977 120.956 119.950 0.049 0.000 2.959 33 F HA 0.336 4.863 4.527 -0.000 0.000 0.379 33 F C -0.872 174.965 175.800 0.062 0.000 1.215 33 F CA -0.697 57.344 58.000 0.068 0.000 1.190 33 F CB 0.624 39.674 39.000 0.083 0.000 1.574 33 F HN -0.316 nan 8.300 nan 0.000 0.575 34 I N 5.126 125.680 120.570 -0.027 0.000 2.331 34 I HA 0.414 4.583 4.170 -0.000 0.000 0.292 34 I C -0.788 175.278 176.117 -0.085 0.000 0.998 34 I CA -0.957 60.339 61.300 -0.007 0.000 1.267 34 I CB 1.493 39.469 38.000 -0.039 0.000 1.386 34 I HN 0.053 nan 8.210 nan 0.000 0.476 35 V N 7.012 126.899 119.914 -0.046 0.000 2.409 35 V HA 0.318 4.438 4.120 -0.000 0.000 0.290 35 V C -0.263 175.712 176.094 -0.197 0.000 1.017 35 V CA -0.821 61.345 62.300 -0.223 0.000 0.841 35 V CB 1.399 33.163 31.823 -0.099 0.000 1.003 35 V HN 0.645 nan 8.190 nan 0.000 0.426 36 K N 3.628 123.876 120.400 -0.253 0.000 2.339 36 K HA 0.440 4.760 4.320 -0.000 0.000 0.264 36 K C -0.153 176.345 176.600 -0.169 0.000 0.986 36 K CA -0.540 55.651 56.287 -0.160 0.000 0.866 36 K CB 2.440 34.868 32.500 -0.119 0.000 1.103 36 K HN 0.732 nan 8.250 nan 0.000 0.441 37 E N 3.786 123.917 120.200 -0.115 0.000 2.398 37 E HA 0.081 4.430 4.350 -0.000 0.000 0.263 37 E C -0.772 175.806 176.600 -0.037 0.000 1.046 37 E CA -0.165 56.187 56.400 -0.080 0.000 0.908 37 E CB 0.624 30.296 29.700 -0.047 0.000 0.963 37 E HN 0.435 nan 8.360 nan 0.000 0.431 38 I N 3.290 123.866 120.570 0.010 0.000 2.355 38 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 38 I C 0.522 176.694 176.117 0.091 0.000 0.999 38 I CA -0.565 60.764 61.300 0.049 0.000 1.163 38 I CB 1.736 39.795 38.000 0.099 0.000 1.316 38 I HN 0.402 nan 8.210 nan 0.000 0.454 39 T N 3.467 118.053 114.554 0.054 0.000 2.868 39 T HA 0.132 4.481 4.350 -0.000 0.000 0.292 39 T C 0.864 175.622 174.700 0.098 0.000 1.028 39 T CA -0.178 61.959 62.100 0.063 0.000 1.059 39 T CB 0.482 69.366 68.868 0.027 0.000 0.991 39 T HN 0.839 nan 8.240 nan 0.000 0.531 40 N N 1.230 119.995 118.700 0.109 0.000 2.171 40 N HA 0.131 4.870 4.740 -0.000 0.000 0.212 40 N C -0.032 175.521 175.510 0.072 0.000 1.184 40 N CA -0.524 52.606 53.050 0.132 0.000 0.888 40 N CB 0.260 38.878 38.487 0.219 0.000 1.038 40 N HN 0.576 nan 8.380 nan 0.000 0.517 41 R N -1.170 119.356 120.500 0.045 0.000 2.873 41 R HA 0.719 5.059 4.340 -0.000 0.000 0.264 41 R C -0.959 175.350 176.300 0.015 0.000 1.026 41 R CA -0.940 55.175 56.100 0.026 0.000 1.002 41 R CB 0.970 31.280 30.300 0.016 0.000 1.174 41 R HN -0.031 nan 8.270 nan 0.000 0.488 42 E N 0.611 120.818 120.200 0.012 0.000 2.256 42 E HA 0.291 4.641 4.350 -0.000 0.000 0.267 42 E C -1.111 175.496 176.600 0.010 0.000 0.892 42 E CA -0.709 55.696 56.400 0.008 0.000 0.775 42 E CB 1.443 31.146 29.700 0.006 0.000 1.207 42 E HN 0.579 nan 8.360 nan 0.000 0.420 43 E N 1.584 121.791 120.200 0.011 0.000 2.299 43 E HA 0.619 4.969 4.350 -0.000 0.000 0.260 43 E C -0.053 176.557 176.600 0.016 0.000 0.944 43 E CA -1.110 55.300 56.400 0.017 0.000 0.815 43 E CB 1.529 31.240 29.700 0.019 0.000 1.252 43 E HN 0.598 nan 8.360 nan 0.000 0.418 44 G N -0.078 108.734 108.800 0.021 0.000 3.175 44 G HA2 0.256 4.216 3.960 -0.000 0.000 0.153 44 G HA3 0.256 4.216 3.960 -0.000 0.000 0.153 44 G C 0.114 175.023 174.900 0.016 0.000 1.216 44 G CA -0.236 44.874 45.100 0.017 0.000 0.943 44 G HN 0.320 nan 8.290 nan 0.000 0.611 45 E N -0.061 120.147 120.200 0.014 0.000 2.562 45 E HA 0.229 4.578 4.350 -0.000 0.000 0.214 45 E C -0.033 176.574 176.600 0.011 0.000 0.979 45 E CA 0.235 56.641 56.400 0.010 0.000 1.002 45 E CB 1.478 31.181 29.700 0.005 0.000 1.048 45 E HN 0.505 nan 8.360 nan 0.000 0.488 46 E N -0.428 119.783 120.200 0.019 0.000 2.359 46 E HA 0.695 5.045 4.350 -0.000 0.000 0.266 46 E C -0.398 176.224 176.600 0.037 0.000 0.920 46 E CA -0.752 55.660 56.400 0.020 0.000 0.788 46 E CB 2.302 32.012 29.700 0.016 0.000 1.279 46 E HN 0.073 nan 8.360 nan 0.000 0.438 47 G N 0.858 109.679 108.800 0.035 0.000 2.402 47 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.666 47 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.666 47 G C -0.432 174.489 174.900 0.035 0.000 1.402 47 G CA -0.423 44.716 45.100 0.065 0.000 0.920 47 G HN 0.512 nan 8.290 nan 0.000 0.651 48 K N -0.430 119.980 120.400 0.016 0.000 2.504 48 K HA 0.259 4.579 4.320 -0.000 0.000 0.199 48 K C -0.588 175.878 176.600 -0.224 0.000 1.028 48 K CA 0.074 56.289 56.287 -0.119 0.000 1.164 48 K CB 0.239 32.679 32.500 -0.099 0.000 0.877 48 K HN 0.371 nan 8.250 nan 0.000 0.508 49 Y N 1.288 121.639 120.300 0.086 0.000 2.331 49 Y HA 0.285 4.834 4.550 -0.000 0.000 0.334 49 Y C -0.415 175.504 175.900 0.033 0.000 0.960 49 Y CA -1.559 56.598 58.100 0.094 0.000 1.130 49 Y CB 1.654 40.178 38.460 0.106 0.000 1.164 49 Y HN -0.018 nan 8.280 nan 0.000 0.458 50 L N 5.962 127.285 121.223 0.166 0.000 2.276 50 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 50 L C -1.056 175.866 176.870 0.086 0.000 1.061 50 L CA -0.468 54.419 54.840 0.080 0.000 0.807 50 L CB 0.545 42.617 42.059 0.022 0.000 1.177 50 L HN 0.500 nan 8.230 nan 0.000 0.429 51 I N 6.637 127.241 120.570 0.057 0.000 2.330 51 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 51 I C 0.134 176.258 176.117 0.013 0.000 1.001 51 I CA -0.582 60.739 61.300 0.036 0.000 1.193 51 I CB 1.381 39.398 38.000 0.028 0.000 1.345 51 I HN 0.173 nan 8.210 nan 0.000 0.461 52 V N 5.176 125.093 119.914 0.005 0.000 2.769 52 V HA 0.389 4.509 4.120 -0.000 0.000 0.312 52 V C 0.150 176.234 176.094 -0.017 0.000 1.061 52 V CA -0.936 61.357 62.300 -0.011 0.000 0.931 52 V CB 2.566 34.377 31.823 -0.021 0.000 1.010 52 V HN 0.721 nan 8.190 nan 0.000 0.433 53 E N 2.744 122.932 120.200 -0.021 0.000 2.130 53 E HA 0.394 4.744 4.350 -0.000 0.000 0.284 53 E C -1.332 175.248 176.600 -0.034 0.000 1.018 53 E CA -0.682 55.704 56.400 -0.023 0.000 0.817 53 E CB 1.354 31.042 29.700 -0.020 0.000 1.078 53 E HN 0.546 nan 8.360 nan 0.000 0.396 54 L N 4.686 125.887 121.223 -0.038 0.000 2.275 54 L HA 0.391 4.731 4.340 -0.000 0.000 0.288 54 L C -0.993 175.849 176.870 -0.047 0.000 1.046 54 L CA 0.088 54.895 54.840 -0.055 0.000 0.805 54 L CB 1.665 43.688 42.059 -0.059 0.000 1.193 54 L HN 0.400 nan 8.230 nan 0.000 0.426 55 T N 5.641 120.162 114.554 -0.055 0.000 2.809 55 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 55 T C -0.782 173.892 174.700 -0.043 0.000 0.992 55 T CA -0.735 61.346 62.100 -0.031 0.000 0.957 55 T CB 0.964 69.822 68.868 -0.016 0.000 0.942 55 T HN 0.696 nan 8.240 nan 0.000 0.439 56 K N 2.040 122.434 120.400 -0.010 0.000 2.375 56 K HA 0.717 5.037 4.320 -0.000 0.000 0.249 56 K C -0.986 175.699 176.600 0.142 0.000 0.942 56 K CA -1.246 55.048 56.287 0.012 0.000 0.806 56 K CB 2.607 35.086 32.500 -0.036 0.000 1.227 56 K HN 0.402 nan 8.250 nan 0.000 0.430 57 R N 1.866 122.529 120.500 0.273 0.000 2.388 57 R HA 0.086 4.426 4.340 -0.000 0.000 0.314 57 R C -1.036 175.446 176.300 0.302 0.000 0.959 57 R CA -0.111 56.138 56.100 0.248 0.000 0.851 57 R CB 0.673 31.088 30.300 0.192 0.000 1.168 57 R HN 0.953 nan 8.270 nan 0.000 0.472 58 D N 2.912 123.428 120.400 0.194 0.000 2.772 58 D HA -0.212 4.427 4.640 -0.000 0.000 0.233 58 D C -1.557 174.798 176.300 0.092 0.000 1.143 58 D CA 1.203 55.265 54.000 0.104 0.000 0.700 58 D CB -0.665 40.150 40.800 0.024 0.000 1.076 58 D HN 0.409 nan 8.370 nan 0.000 0.430 59 W N 0.122 121.438 121.300 0.027 0.000 2.639 59 W HA 0.445 5.105 4.660 -0.000 0.000 0.347 59 W C 0.101 176.648 176.519 0.047 0.000 1.067 59 W CA -0.841 56.527 57.345 0.039 0.000 1.218 59 W CB 1.203 30.704 29.460 0.070 0.000 1.393 59 W HN -0.102 nan 8.180 nan 0.000 0.557 60 D N 0.652 121.267 120.400 0.360 0.000 2.274 60 D HA 0.203 4.843 4.640 -0.000 0.000 0.239 60 D C 1.033 177.538 176.300 0.341 0.000 1.104 60 D CA 0.064 54.217 54.000 0.255 0.000 0.840 60 D CB 1.535 42.440 40.800 0.175 0.000 1.100 60 D HN 0.296 nan 8.370 nan 0.000 0.477 61 T N 2.421 117.120 114.554 0.241 0.000 2.653 61 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 61 T C 1.277 176.164 174.700 0.311 0.000 1.035 61 T CA 1.534 63.774 62.100 0.232 0.000 1.154 61 T CB -0.439 68.540 68.868 0.185 0.000 0.862 61 T HN 0.521 nan 8.240 nan 0.000 0.441 62 H N 0.017 119.173 119.070 0.143 0.000 2.319 62 H HA -0.055 4.500 4.556 -0.000 0.000 0.299 62 H C 2.247 177.664 175.328 0.149 0.000 1.092 62 H CA 1.484 57.603 56.048 0.120 0.000 1.302 62 H CB -0.694 29.132 29.762 0.106 0.000 1.373 62 H HN 0.472 nan 8.280 nan 0.000 0.497 63 H N 0.335 119.576 119.070 0.285 0.000 2.352 63 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 63 H C 2.417 177.945 175.328 0.333 0.000 1.097 63 H CA 1.412 57.624 56.048 0.274 0.000 1.311 63 H CB -0.352 29.565 29.762 0.259 0.000 1.377 63 H HN 0.307 nan 8.280 nan 0.000 0.504 64 L N 0.747 122.211 121.223 0.401 0.000 1.994 64 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 64 L C 2.851 179.713 176.870 -0.014 0.000 1.071 64 L CA 2.163 57.073 54.840 0.117 0.000 0.745 64 L CB -0.699 41.320 42.059 -0.067 0.000 0.892 64 L HN 0.459 nan 8.230 nan 0.000 0.431 65 T N -2.910 111.655 114.554 0.018 0.000 2.788 65 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 65 T C 2.055 176.735 174.700 -0.033 0.000 1.044 65 T CA 1.005 63.096 62.100 -0.015 0.000 1.139 65 T CB -0.496 68.369 68.868 -0.005 0.000 0.867 65 T HN 0.300 nan 8.240 nan 0.000 0.454 66 R N 0.857 121.333 120.500 -0.040 0.000 2.148 66 R HA -0.043 4.297 4.340 -0.000 0.000 0.227 66 R C 2.156 178.409 176.300 -0.079 0.000 1.103 66 R CA 1.465 57.526 56.100 -0.066 0.000 0.983 66 R CB -0.803 29.450 30.300 -0.078 0.000 0.874 66 R HN 0.461 nan 8.270 nan 0.000 0.451 67 T N 1.320 115.821 114.554 -0.089 0.000 2.809 67 T HA 0.017 4.367 4.350 -0.000 0.000 0.260 67 T C 1.872 176.552 174.700 -0.033 0.000 1.039 67 T CA 0.818 62.889 62.100 -0.048 0.000 1.141 67 T CB -0.032 68.856 68.868 0.033 0.000 0.869 67 T HN 0.151 nan 8.240 nan 0.000 0.437 68 L N 1.661 122.853 121.223 -0.052 0.000 2.083 68 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 68 L C 2.900 179.753 176.870 -0.029 0.000 1.083 68 L CA 1.435 56.246 54.840 -0.049 0.000 0.752 68 L CB -0.725 41.298 42.059 -0.061 0.000 0.899 68 L HN 0.388 nan 8.230 nan 0.000 0.433 69 S N -0.131 115.555 115.700 -0.024 0.000 2.419 69 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 69 S C 2.061 176.656 174.600 -0.009 0.000 1.016 69 S CA 0.835 59.029 58.200 -0.011 0.000 0.974 69 S CB -0.231 62.962 63.200 -0.011 0.000 0.786 69 S HN 0.370 nan 8.310 nan 0.000 0.492 70 R N 0.385 120.877 120.500 -0.014 0.000 2.090 70 R HA 0.289 4.629 4.340 -0.000 0.000 0.228 70 R C 2.249 178.546 176.300 -0.004 0.000 1.110 70 R CA 1.470 57.566 56.100 -0.007 0.000 0.973 70 R CB -0.380 29.917 30.300 -0.005 0.000 0.869 70 R HN 0.474 nan 8.270 nan 0.000 0.440 71 I N 0.436 121.001 120.570 -0.008 0.000 2.439 71 I HA -0.208 3.961 4.170 -0.000 0.000 0.251 71 I C 1.478 177.586 176.117 -0.016 0.000 1.139 71 I CA 1.188 62.483 61.300 -0.010 0.000 1.438 71 I CB 0.057 38.047 38.000 -0.016 0.000 1.085 71 I HN 0.134 nan 8.210 nan 0.000 0.427 72 L N -0.092 121.121 121.223 -0.017 0.000 2.640 72 L HA 0.134 4.473 4.340 -0.000 0.000 0.230 72 L C 0.148 177.011 176.870 -0.012 0.000 1.123 72 L CA -0.037 54.791 54.840 -0.020 0.000 0.900 72 L CB -0.027 42.019 42.059 -0.023 0.000 1.146 72 L HN 0.199 nan 8.230 nan 0.000 0.484 73 Q N 1.059 120.856 119.800 -0.005 0.000 2.447 73 Q HA -0.160 4.179 4.340 -0.000 0.000 0.348 73 Q C -0.531 175.476 176.000 0.011 0.000 1.421 73 Q CA 0.893 56.697 55.803 0.001 0.000 0.978 73 Q CB -1.705 27.032 28.738 -0.002 0.000 1.191 73 Q HN 0.421 nan 8.270 nan 0.000 0.371 74 V N -3.142 116.785 119.914 0.021 0.000 3.159 74 V HA 0.846 4.966 4.120 -0.000 0.000 0.308 74 V C 0.401 176.519 176.094 0.039 0.000 1.190 74 V CA -0.491 61.837 62.300 0.047 0.000 1.037 74 V CB 2.187 34.056 31.823 0.076 0.000 1.060 74 V HN 0.453 nan 8.190 nan 0.000 0.437 75 S N 0.398 116.126 115.700 0.047 0.000 2.593 75 S HA 0.216 4.685 4.470 -0.000 0.000 0.269 75 S C 0.811 175.422 174.600 0.018 0.000 1.334 75 S CA 0.509 58.723 58.200 0.023 0.000 1.015 75 S CB 0.995 64.205 63.200 0.017 0.000 0.912 75 S HN 0.918 nan 8.310 nan 0.000 0.541 76 Q N 0.275 120.071 119.800 -0.007 0.000 2.226 76 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 76 Q C 1.874 177.865 176.000 -0.015 0.000 0.975 76 Q CA 1.525 57.313 55.803 -0.024 0.000 0.866 76 Q CB -0.176 28.524 28.738 -0.063 0.000 0.915 76 Q HN 0.789 nan 8.270 nan 0.000 0.440 77 K N 0.551 120.945 120.400 -0.009 0.000 2.103 77 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 77 K C 1.521 178.139 176.600 0.030 0.000 1.048 77 K CA 1.208 57.492 56.287 -0.005 0.000 0.930 77 K CB 0.087 32.578 32.500 -0.016 0.000 0.716 77 K HN 0.065 nan 8.250 nan 0.000 0.444 78 R N 0.263 120.805 120.500 0.069 0.000 2.293 78 R HA -0.020 4.320 4.340 -0.000 0.000 0.219 78 R C 0.547 176.949 176.300 0.170 0.000 1.091 78 R CA 0.455 56.656 56.100 0.168 0.000 1.004 78 R CB -1.172 29.273 30.300 0.242 0.000 0.865 78 R HN 0.365 nan 8.270 nan 0.000 0.469 79 I N 0.217 120.837 120.570 0.084 0.000 2.411 79 I HA 0.230 4.400 4.170 -0.000 0.000 0.284 79 I C -0.566 175.566 176.117 0.026 0.000 1.012 79 I CA -0.495 60.840 61.300 0.060 0.000 1.119 79 I CB 1.601 39.620 38.000 0.031 0.000 1.261 79 I HN 0.059 nan 8.210 nan 0.000 0.448 80 S N 6.681 122.391 115.700 0.016 0.000 2.568 80 S HA 0.902 5.372 4.470 -0.000 0.000 0.293 80 S C -0.393 174.203 174.600 -0.006 0.000 1.089 80 S CA -0.463 57.735 58.200 -0.005 0.000 0.945 80 S CB 1.678 64.861 63.200 -0.029 0.000 1.077 80 S HN 0.938 nan 8.310 nan 0.000 0.485 81 V N -0.894 119.022 119.914 0.004 0.000 2.994 81 V HA 0.928 5.048 4.120 -0.000 0.000 0.318 81 V C 1.064 177.157 176.094 -0.001 0.000 1.085 81 V CA -0.414 61.890 62.300 0.007 0.000 0.998 81 V CB 0.857 32.698 31.823 0.030 0.000 1.063 81 V HN 1.218 nan 8.190 nan 0.000 0.447 82 A N 1.665 124.483 122.820 -0.005 0.000 1.975 82 A HA 0.671 4.991 4.320 -0.000 0.000 0.215 82 A C 1.229 178.811 177.584 -0.004 0.000 1.170 82 A CA 0.975 53.005 52.037 -0.011 0.000 0.656 82 A CB -0.494 18.499 19.000 -0.011 0.000 0.821 82 A HN 1.980 nan 8.150 nan 0.000 0.449 83 G N -1.623 107.182 108.800 0.008 0.000 2.752 83 G HA2 0.445 4.404 3.960 -0.000 0.000 0.298 83 G HA3 0.445 4.404 3.960 -0.000 0.000 0.298 83 G C -0.947 173.975 174.900 0.038 0.000 1.434 83 G CA -0.327 44.783 45.100 0.017 0.000 1.004 83 G HN -0.045 nan 8.290 nan 0.000 0.560 84 T N 4.019 118.607 114.554 0.057 0.000 2.738 84 T HA 0.264 4.613 4.350 -0.000 0.000 0.293 84 T C 0.459 175.206 174.700 0.079 0.000 0.913 84 T CA -0.175 61.967 62.100 0.070 0.000 1.103 84 T CB 0.396 69.306 68.868 0.070 0.000 0.880 84 T HN 0.326 nan 8.240 nan 0.000 0.526 85 K N 2.904 123.349 120.400 0.076 0.000 2.126 85 K HA 0.242 4.562 4.320 -0.000 0.000 0.257 85 K C 0.062 176.720 176.600 0.097 0.000 1.007 85 K CA -0.862 55.480 56.287 0.092 0.000 0.928 85 K CB 0.645 33.189 32.500 0.073 0.000 1.013 85 K HN 0.472 nan 8.250 nan 0.000 0.473 86 D N 1.836 122.300 120.400 0.107 0.000 2.488 86 D HA -0.072 4.568 4.640 -0.000 0.000 0.238 86 D C 1.154 177.491 176.300 0.062 0.000 1.138 86 D CA 0.270 54.302 54.000 0.053 0.000 0.873 86 D CB 0.986 41.769 40.800 -0.029 0.000 1.183 86 D HN 0.396 nan 8.370 nan 0.000 0.458 87 K N 3.334 123.760 120.400 0.045 0.000 1.965 87 K HA -0.181 4.138 4.320 -0.000 0.000 0.214 87 K C 0.917 177.549 176.600 0.053 0.000 1.046 87 K CA 1.107 57.435 56.287 0.069 0.000 0.944 87 K CB -0.120 32.405 32.500 0.041 0.000 0.726 87 K HN 0.231 nan 8.250 nan 0.000 0.441 88 R N 1.281 121.781 120.500 -0.000 0.000 3.572 88 R HA 0.252 4.592 4.340 -0.000 0.000 0.186 88 R C -1.251 175.059 176.300 0.017 0.000 1.727 88 R CA 0.494 56.591 56.100 -0.005 0.000 1.267 88 R CB -0.920 29.355 30.300 -0.041 0.000 1.318 88 R HN 0.461 nan 8.270 nan 0.000 0.718 89 A N 2.216 125.088 122.820 0.087 0.000 2.522 89 A HA 0.283 4.603 4.320 -0.000 0.000 0.291 89 A C -2.196 175.482 177.584 0.157 0.000 1.039 89 A CA -0.900 51.234 52.037 0.162 0.000 0.643 89 A CB 0.678 19.818 19.000 0.233 0.000 1.310 89 A HN 0.361 nan 8.150 nan 0.000 0.436 90 L N 1.861 123.180 121.223 0.161 0.000 2.264 90 L HA 0.722 5.062 4.340 -0.000 0.000 0.287 90 L C 0.231 177.157 176.870 0.094 0.000 1.039 90 L CA 0.693 55.601 54.840 0.114 0.000 0.829 90 L CB 0.746 42.857 42.059 0.087 0.000 1.211 90 L HN 1.097 nan 8.230 nan 0.000 0.427 91 T N 0.714 115.316 114.554 0.080 0.000 2.861 91 T HA 0.730 5.079 4.350 -0.000 0.000 0.287 91 T C -0.155 174.554 174.700 0.015 0.000 1.003 91 T CA -0.546 61.582 62.100 0.047 0.000 0.977 91 T CB 1.470 70.378 68.868 0.066 0.000 0.996 91 T HN 0.521 nan 8.240 nan 0.000 0.448 92 T N 3.821 118.367 114.554 -0.013 0.000 2.829 92 T HA 0.723 5.073 4.350 -0.000 0.000 0.280 92 T C -0.640 174.043 174.700 -0.030 0.000 0.999 92 T CA -0.756 61.330 62.100 -0.023 0.000 0.983 92 T CB 1.439 70.288 68.868 -0.031 0.000 0.968 92 T HN 0.946 nan 8.240 nan 0.000 0.446 93 Q N 0.835 120.620 119.800 -0.024 0.000 2.687 93 Q HA 0.483 4.823 4.340 -0.000 0.000 0.295 93 Q C -1.712 174.277 176.000 -0.018 0.000 0.920 93 Q CA -1.280 54.510 55.803 -0.022 0.000 0.766 93 Q CB 1.725 30.455 28.738 -0.013 0.000 1.467 93 Q HN 0.479 nan 8.270 nan 0.000 0.415 94 K N 1.573 121.965 120.400 -0.014 0.000 2.130 94 K HA 0.679 4.999 4.320 -0.000 0.000 0.268 94 K C -0.703 175.890 176.600 -0.012 0.000 0.983 94 K CA -0.540 55.739 56.287 -0.012 0.000 0.893 94 K CB 0.903 33.398 32.500 -0.008 0.000 1.066 94 K HN 0.641 nan 8.250 nan 0.000 0.450 95 I N -0.812 119.752 120.570 -0.011 0.000 3.174 95 I HA 0.565 4.734 4.170 -0.000 0.000 0.313 95 I C -1.055 175.063 176.117 0.001 0.000 1.155 95 I CA -0.937 60.358 61.300 -0.008 0.000 0.977 95 I CB 2.292 40.286 38.000 -0.009 0.000 1.248 95 I HN 0.652 nan 8.210 nan 0.000 0.453 96 S N 2.366 118.071 115.700 0.009 0.000 2.548 96 S HA 0.814 5.284 4.470 -0.000 0.000 0.286 96 S C -0.943 173.726 174.600 0.114 0.000 1.098 96 S CA -0.665 57.564 58.200 0.048 0.000 0.930 96 S CB 1.725 64.909 63.200 -0.028 0.000 1.070 96 S HN 0.635 nan 8.310 nan 0.000 0.480 97 I N 2.695 123.377 120.570 0.186 0.000 2.478 97 I HA 0.371 4.541 4.170 -0.000 0.000 0.287 97 I C -0.854 175.435 176.117 0.286 0.000 1.042 97 I CA -0.714 60.702 61.300 0.193 0.000 1.067 97 I CB 1.729 39.776 38.000 0.078 0.000 1.233 97 I HN 0.798 nan 8.210 nan 0.000 0.431 98 F N 6.302 126.346 119.950 0.156 0.000 2.495 98 F HA 0.137 4.664 4.527 -0.000 0.000 0.365 98 F C 1.063 176.796 175.800 -0.112 0.000 1.090 98 F CA 0.270 58.237 58.000 -0.055 0.000 1.235 98 F CB 0.472 39.437 39.000 -0.059 0.000 1.119 98 F HN 0.687 nan 8.300 nan 0.000 0.562 99 D N 3.731 123.543 120.400 -0.980 0.000 2.735 99 D HA -0.212 4.428 4.640 -0.000 0.000 0.235 99 D C -1.282 174.768 176.300 -0.415 0.000 1.175 99 D CA 1.118 54.584 54.000 -0.891 0.000 0.683 99 D CB -0.874 39.070 40.800 -1.426 0.000 1.008 99 D HN 0.611 nan 8.370 nan 0.000 0.416 100 T N 1.796 116.204 114.554 -0.242 0.000 2.952 100 T HA 0.354 4.704 4.350 -0.000 0.000 0.305 100 T C -0.616 174.023 174.700 -0.101 0.000 1.064 100 T CA -0.959 61.056 62.100 -0.141 0.000 1.008 100 T CB 1.764 70.581 68.868 -0.085 0.000 1.078 100 T HN -0.008 nan 8.240 nan 0.000 0.459 101 D N 1.003 121.351 120.400 -0.086 0.000 2.294 101 D HA 0.490 5.130 4.640 -0.000 0.000 0.250 101 D C 1.288 177.558 176.300 -0.049 0.000 1.058 101 D CA -0.506 53.456 54.000 -0.064 0.000 0.950 101 D CB 1.594 42.358 40.800 -0.060 0.000 1.158 101 D HN 0.553 nan 8.370 nan 0.000 0.453 102 A N 1.138 123.935 122.820 -0.038 0.000 1.883 102 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 102 A C 2.063 179.626 177.584 -0.035 0.000 1.186 102 A CA 2.432 54.450 52.037 -0.032 0.000 0.624 102 A CB -0.793 18.193 19.000 -0.023 0.000 0.822 102 A HN 0.585 nan 8.150 nan 0.000 0.444 103 S N 0.146 115.826 115.700 -0.033 0.000 2.400 103 S HA -0.219 4.251 4.470 -0.000 0.000 0.232 103 S C 1.581 176.158 174.600 -0.039 0.000 1.025 103 S CA 1.466 59.648 58.200 -0.030 0.000 0.993 103 S CB -0.545 62.640 63.200 -0.024 0.000 0.808 103 S HN 0.712 nan 8.310 nan 0.000 0.478 104 E N 1.572 121.744 120.200 -0.047 0.000 2.106 104 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 104 E C 2.064 178.621 176.600 -0.072 0.000 0.984 104 E CA 1.400 57.767 56.400 -0.054 0.000 0.806 104 E CB -0.411 29.255 29.700 -0.057 0.000 0.750 104 E HN 0.849 nan 8.360 nan 0.000 0.458 105 I N -1.292 119.234 120.570 -0.074 0.000 3.428 105 I HA 0.064 4.234 4.170 -0.000 0.000 0.286 105 I C 1.732 177.772 176.117 -0.128 0.000 1.287 105 I CA 0.513 61.754 61.300 -0.097 0.000 1.396 105 I CB 0.051 38.005 38.000 -0.076 0.000 1.062 105 I HN -0.154 nan 8.210 nan 0.000 0.471 106 E N 2.117 122.257 120.200 -0.100 0.000 2.478 106 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 106 E C 1.542 178.056 176.600 -0.144 0.000 1.045 106 E CA 0.491 56.837 56.400 -0.090 0.000 0.868 106 E CB 0.322 30.005 29.700 -0.029 0.000 0.885 106 E HN 0.551 nan 8.360 nan 0.000 0.505 107 K N 0.100 120.396 120.400 -0.172 0.000 2.358 107 K HA 0.213 4.533 4.320 -0.000 0.000 0.200 107 K C 0.277 176.685 176.600 -0.320 0.000 1.030 107 K CA -0.041 56.156 56.287 -0.150 0.000 1.097 107 K CB 0.548 33.027 32.500 -0.034 0.000 0.862 107 K HN -0.046 nan 8.250 nan 0.000 0.534 108 I N 2.606 122.920 120.570 -0.426 0.000 2.325 108 I HA 0.131 4.301 4.170 -0.000 0.000 0.291 108 I C -0.473 175.318 176.117 -0.544 0.000 1.019 108 I CA -0.535 60.568 61.300 -0.329 0.000 1.302 108 I CB 0.866 38.751 38.000 -0.193 0.000 1.401 108 I HN 0.129 nan 8.210 nan 0.000 0.485 109 H N 7.654 126.726 119.070 0.005 0.000 2.716 109 H HA 0.420 4.976 4.556 -0.000 0.000 0.260 109 H C -0.584 174.766 175.328 0.036 0.000 1.280 109 H CA -0.423 55.634 56.048 0.014 0.000 1.506 109 H CB 1.170 30.944 29.762 0.019 0.000 1.514 109 H HN 0.412 nan 8.280 nan 0.000 0.502 110 L N 1.404 122.684 121.223 0.095 0.000 2.399 110 L HA 0.303 4.643 4.340 -0.000 0.000 0.265 110 L C 0.857 177.844 176.870 0.194 0.000 1.089 110 L CA -0.622 54.300 54.840 0.137 0.000 0.802 110 L CB 1.405 43.492 42.059 0.046 0.000 1.180 110 L HN 0.235 nan 8.230 nan 0.000 0.454 111 K N 1.883 122.460 120.400 0.295 0.000 2.349 111 K HA 0.025 4.345 4.320 -0.000 0.000 0.288 111 K C -0.762 176.093 176.600 0.425 0.000 1.058 111 K CA -0.064 56.392 56.287 0.283 0.000 0.953 111 K CB 0.266 32.899 32.500 0.221 0.000 0.997 111 K HN 0.572 nan 8.250 nan 0.000 0.477 112 D N 2.309 122.879 120.400 0.284 0.000 2.835 112 D HA -0.167 4.472 4.640 -0.000 0.000 0.230 112 D C -0.886 175.541 176.300 0.212 0.000 1.130 112 D CA 0.891 55.070 54.000 0.298 0.000 0.738 112 D CB -0.591 40.447 40.800 0.397 0.000 1.090 112 D HN 0.344 nan 8.370 nan 0.000 0.433 113 I N 0.413 121.020 120.570 0.061 0.000 2.656 113 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 113 I C 0.039 176.125 176.117 -0.052 0.000 1.144 113 I CA -0.483 60.743 61.300 -0.124 0.000 1.038 113 I CB 2.313 40.113 38.000 -0.334 0.000 1.244 113 I HN -0.108 nan 8.210 nan 0.000 0.420 114 E N 5.818 125.980 120.200 -0.063 0.000 2.256 114 E HA 0.672 5.022 4.350 -0.000 0.000 0.268 114 E C -1.811 174.755 176.600 -0.056 0.000 0.877 114 E CA -0.521 55.861 56.400 -0.030 0.000 0.757 114 E CB 2.168 31.865 29.700 -0.005 0.000 1.183 114 E HN 0.472 nan 8.360 nan 0.000 0.418 115 L N 4.312 125.502 121.223 -0.055 0.000 2.333 115 L HA 0.566 4.905 4.340 -0.000 0.000 0.280 115 L C -0.757 176.088 176.870 -0.042 0.000 1.004 115 L CA -0.743 54.059 54.840 -0.064 0.000 0.820 115 L CB 1.616 43.621 42.059 -0.090 0.000 1.247 115 L HN 0.413 nan 8.230 nan 0.000 0.416 116 K N 3.091 123.471 120.400 -0.034 0.000 2.541 116 K HA 0.471 4.790 4.320 -0.000 0.000 0.250 116 K C -0.976 175.612 176.600 -0.020 0.000 0.950 116 K CA -0.812 55.461 56.287 -0.023 0.000 0.805 116 K CB 2.942 35.432 32.500 -0.016 0.000 1.166 116 K HN 0.175 nan 8.250 nan 0.000 0.430 117 V N 4.465 124.368 119.914 -0.018 0.000 2.740 117 V HA 0.007 4.127 4.120 -0.000 0.000 0.303 117 V C 1.161 177.250 176.094 -0.008 0.000 1.054 117 V CA 0.342 62.634 62.300 -0.013 0.000 1.106 117 V CB 0.476 32.292 31.823 -0.013 0.000 0.957 117 V HN 0.767 nan 8.190 nan 0.000 0.486 118 L N 2.619 123.839 121.223 -0.004 0.000 2.547 118 L HA 0.561 4.901 4.340 -0.000 0.000 0.218 118 L C 1.062 177.934 176.870 0.003 0.000 1.048 118 L CA 0.916 55.755 54.840 -0.002 0.000 0.859 118 L CB 0.448 42.507 42.059 -0.001 0.000 1.128 118 L HN 0.917 nan 8.230 nan 0.000 0.483 119 G N -0.194 108.611 108.800 0.008 0.000 2.398 119 G HA2 0.247 4.207 3.960 -0.000 0.000 0.251 119 G HA3 0.247 4.207 3.960 -0.000 0.000 0.251 119 G C -1.489 173.426 174.900 0.025 0.000 1.277 119 G CA -0.832 44.275 45.100 0.012 0.000 0.927 119 G HN -0.084 nan 8.290 nan 0.000 0.477 120 R N -1.072 119.447 120.500 0.032 0.000 2.888 120 R HA 0.856 5.196 4.340 -0.000 0.000 0.264 120 R C -1.001 175.340 176.300 0.069 0.000 1.045 120 R CA -0.453 55.680 56.100 0.055 0.000 0.962 120 R CB 2.050 32.374 30.300 0.041 0.000 1.210 120 R HN 0.950 nan 8.270 nan 0.000 0.479 121 S N -0.693 115.075 115.700 0.114 0.000 2.558 121 S HA 0.229 4.699 4.470 -0.000 0.000 0.277 121 S C -0.261 174.460 174.600 0.202 0.000 1.143 121 S CA -0.793 57.477 58.200 0.116 0.000 0.865 121 S CB 1.607 64.853 63.200 0.077 0.000 1.102 121 S HN 0.699 nan 8.310 nan 0.000 0.454 122 R N 1.390 121.987 120.500 0.162 0.000 2.276 122 R HA 0.097 4.436 4.340 -0.000 0.000 0.203 122 R C 0.403 176.869 176.300 0.276 0.000 1.017 122 R CA 0.565 56.793 56.100 0.212 0.000 1.010 122 R CB -0.208 30.164 30.300 0.120 0.000 0.900 122 R HN 0.598 nan 8.270 nan 0.000 0.469 123 K N 1.191 121.673 120.400 0.136 0.000 2.221 123 K HA 0.296 4.616 4.320 -0.000 0.000 0.258 123 K C -0.352 176.057 176.600 -0.318 0.000 0.944 123 K CA -0.642 55.620 56.287 -0.041 0.000 0.823 123 K CB 1.925 34.402 32.500 -0.037 0.000 1.113 123 K HN -0.146 nan 8.250 nan 0.000 0.431 124 S N 1.199 116.476 115.700 -0.705 0.000 2.624 124 S HA 0.177 4.647 4.470 -0.000 0.000 0.263 124 S C 0.248 174.629 174.600 -0.365 0.000 1.287 124 S CA -0.883 56.778 58.200 -0.899 0.000 0.990 124 S CB 1.001 63.642 63.200 -0.931 0.000 0.950 124 S HN 0.410 nan 8.310 nan 0.000 0.561 125 V N 2.692 122.453 119.914 -0.255 0.000 2.339 125 V HA 0.291 4.411 4.120 -0.000 0.000 0.261 125 V C 0.211 176.243 176.094 -0.104 0.000 1.058 125 V CA -0.328 61.895 62.300 -0.130 0.000 0.897 125 V CB -0.040 31.735 31.823 -0.079 0.000 1.052 125 V HN 0.767 nan 8.190 nan 0.000 0.480 126 E N 3.502 123.649 120.200 -0.088 0.000 2.283 126 E HA 0.422 4.772 4.350 -0.000 0.000 0.267 126 E C -0.085 176.491 176.600 -0.041 0.000 1.045 126 E CA -0.812 55.550 56.400 -0.064 0.000 0.884 126 E CB 1.825 31.487 29.700 -0.064 0.000 1.106 126 E HN 0.459 nan 8.360 nan 0.000 0.408 127 L N 1.153 122.359 121.223 -0.029 0.000 2.628 127 L HA 0.009 4.349 4.340 -0.000 0.000 0.274 127 L C 1.387 178.239 176.870 -0.029 0.000 1.209 127 L CA 1.224 56.052 54.840 -0.020 0.000 0.930 127 L CB -0.329 41.724 42.059 -0.010 0.000 1.183 127 L HN 0.965 nan 8.230 nan 0.000 0.492 128 G N 2.022 110.802 108.800 -0.033 0.000 2.278 128 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.210 128 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.210 128 G C 0.311 175.189 174.900 -0.036 0.000 1.000 128 G CA -0.204 44.870 45.100 -0.044 0.000 0.635 128 G HN 0.629 nan 8.290 nan 0.000 0.495 129 D N 1.414 121.799 120.400 -0.025 0.000 2.826 129 D HA 0.401 5.041 4.640 -0.000 0.000 0.247 129 D C 0.925 177.230 176.300 0.009 0.000 1.238 129 D CA 0.915 54.908 54.000 -0.010 0.000 0.894 129 D CB -0.427 40.362 40.800 -0.018 0.000 1.100 129 D HN 0.907 nan 8.370 nan 0.000 0.453 130 L N -4.428 116.800 121.223 0.009 0.000 2.465 130 L HA 0.489 4.828 4.340 -0.000 0.000 0.257 130 L C 0.284 177.191 176.870 0.063 0.000 0.988 130 L CA -1.096 53.771 54.840 0.045 0.000 0.827 130 L CB 1.952 44.022 42.059 0.018 0.000 1.397 130 L HN -0.067 nan 8.230 nan 0.000 0.410 131 W N 2.687 123.973 121.300 -0.024 0.000 2.487 131 W HA 0.388 5.048 4.660 -0.000 0.000 0.320 131 W C 0.395 176.904 176.519 -0.017 0.000 1.149 131 W CA 1.780 59.114 57.345 -0.017 0.000 1.342 131 W CB 0.050 29.503 29.460 -0.012 0.000 1.200 131 W HN 0.761 nan 8.180 nan 0.000 0.464 132 G N -0.304 108.666 108.800 0.283 0.000 3.243 132 G HA2 0.398 4.357 3.960 -0.000 0.000 0.248 132 G HA3 0.398 4.357 3.960 -0.000 0.000 0.248 132 G C -1.754 173.188 174.900 0.069 0.000 1.267 132 G CA -0.954 44.229 45.100 0.138 0.000 0.906 132 G HN 0.234 nan 8.290 nan 0.000 0.592 133 N N 0.273 118.982 118.700 0.015 0.000 2.454 133 N HA 0.290 5.029 4.740 -0.000 0.000 0.291 133 N C -1.982 173.317 175.510 -0.352 0.000 1.079 133 N CA -0.634 52.281 53.050 -0.224 0.000 0.893 133 N CB 2.264 40.523 38.487 -0.380 0.000 1.512 133 N HN 0.217 nan 8.380 nan 0.000 0.497 134 D N 1.671 121.874 120.400 -0.329 0.000 2.350 134 D HA 0.253 4.893 4.640 -0.000 0.000 0.249 134 D C -0.746 175.229 176.300 -0.542 0.000 1.119 134 D CA 0.621 54.458 54.000 -0.272 0.000 0.886 134 D CB 0.740 41.444 40.800 -0.161 0.000 1.195 134 D HN 0.240 nan 8.370 nan 0.000 0.437 135 F N 0.883 120.616 119.950 -0.362 0.000 2.556 135 F HA 0.502 5.028 4.527 -0.000 0.000 0.327 135 F C 0.738 176.229 175.800 -0.516 0.000 1.059 135 F CA -1.057 56.611 58.000 -0.554 0.000 0.953 135 F CB 1.628 40.024 39.000 -1.007 0.000 1.227 135 F HN 0.048 nan 8.300 nan 0.000 0.478 136 R N 2.693 123.033 120.500 -0.266 0.000 2.928 136 R HA 0.471 4.810 4.340 -0.000 0.000 0.248 136 R C -2.063 174.071 176.300 -0.278 0.000 1.796 136 R CA 0.039 56.005 56.100 -0.224 0.000 1.477 136 R CB -0.011 30.202 30.300 -0.144 0.000 1.484 136 R HN 0.642 nan 8.270 nan 0.000 0.623 137 I N 1.391 121.760 120.570 -0.336 0.000 2.577 137 I HA 0.449 4.619 4.170 -0.000 0.000 0.300 137 I C -0.072 175.976 176.117 -0.115 0.000 0.990 137 I CA -0.837 60.263 61.300 -0.334 0.000 1.283 137 I CB 2.263 40.029 38.000 -0.390 0.000 1.411 137 I HN 0.362 nan 8.210 nan 0.000 0.515 138 T N 4.096 118.633 114.554 -0.027 0.000 2.890 138 T HA 0.396 4.745 4.350 -0.000 0.000 0.295 138 T C -0.461 174.275 174.700 0.061 0.000 0.993 138 T CA -0.433 61.680 62.100 0.022 0.000 0.979 138 T CB 1.513 70.400 68.868 0.032 0.000 0.967 138 T HN 0.185 nan 8.240 nan 0.000 0.441 139 V N 4.727 124.675 119.914 0.057 0.000 2.481 139 V HA 0.594 4.714 4.120 -0.000 0.000 0.286 139 V C 0.345 176.474 176.094 0.059 0.000 1.042 139 V CA -0.773 61.568 62.300 0.069 0.000 0.928 139 V CB 1.252 33.118 31.823 0.071 0.000 0.986 139 V HN 0.712 nan 8.190 nan 0.000 0.462 140 R N 2.468 123.003 120.500 0.058 0.000 2.854 140 R HA 0.495 4.835 4.340 -0.000 0.000 0.271 140 R C 0.154 176.479 176.300 0.041 0.000 0.994 140 R CA -0.818 55.310 56.100 0.047 0.000 0.945 140 R CB 1.356 31.684 30.300 0.046 0.000 1.194 140 R HN 0.876 nan 8.270 nan 0.000 0.476 141 N N 0.977 119.697 118.700 0.033 0.000 2.814 141 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 141 N C -0.977 174.548 175.510 0.025 0.000 1.089 141 N CA -0.059 53.007 53.050 0.027 0.000 0.682 141 N CB -0.362 38.142 38.487 0.027 0.000 0.970 141 N HN 0.509 nan 8.380 nan 0.000 0.554 142 I N 1.336 121.921 120.570 0.025 0.000 2.365 142 I HA 0.069 4.239 4.170 -0.000 0.000 0.291 142 I C 1.362 177.487 176.117 0.014 0.000 1.004 142 I CA -0.468 60.844 61.300 0.020 0.000 1.311 142 I CB 0.758 38.772 38.000 0.023 0.000 1.401 142 I HN 0.199 nan 8.210 nan 0.000 0.491 143 E N 5.413 125.618 120.200 0.008 0.000 2.381 143 E HA 0.011 4.361 4.350 -0.000 0.000 0.198 143 E C -0.671 175.930 176.600 0.002 0.000 1.204 143 E CA 0.040 56.443 56.400 0.004 0.000 0.998 143 E CB -0.319 29.381 29.700 0.001 0.000 1.080 143 E HN 0.528 nan 8.360 nan 0.000 0.481 144 N N 0.450 119.153 118.700 0.004 0.000 2.629 144 N HA 0.195 4.935 4.740 -0.000 0.000 0.279 144 N C -0.898 174.617 175.510 0.007 0.000 1.344 144 N CA -0.484 52.568 53.050 0.002 0.000 0.789 144 N CB 2.024 40.509 38.487 -0.003 0.000 1.508 144 N HN 0.218 nan 8.380 nan 0.000 0.516 145 S N -0.322 115.382 115.700 0.007 0.000 2.687 145 S HA 0.438 4.908 4.470 -0.000 0.000 0.283 145 S C -1.713 172.896 174.600 0.016 0.000 1.170 145 S CA -0.996 57.211 58.200 0.011 0.000 1.008 145 S CB 2.166 65.372 63.200 0.009 0.000 1.026 145 S HN 0.356 nan 8.310 nan 0.000 0.541 146 P HA -0.166 nan 4.420 nan 0.000 0.216 146 P C 1.053 178.372 177.300 0.032 0.000 1.150 146 P CA 1.360 64.479 63.100 0.031 0.000 0.843 146 P CB 0.108 31.827 31.700 0.032 0.000 0.787 147 E N 0.206 120.421 120.200 0.024 0.000 2.028 147 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 147 E C 2.137 178.745 176.600 0.012 0.000 0.984 147 E CA 0.844 57.257 56.400 0.023 0.000 0.800 147 E CB -0.241 29.469 29.700 0.018 0.000 0.758 147 E HN 0.405 nan 8.360 nan 0.000 0.448 148 E N -0.014 120.188 120.200 0.004 0.000 2.338 148 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 148 E C 1.690 178.279 176.600 -0.019 0.000 1.007 148 E CA 0.819 57.214 56.400 -0.009 0.000 0.849 148 E CB 0.165 29.860 29.700 -0.009 0.000 0.774 148 E HN 0.163 nan 8.360 nan 0.000 0.506 149 T N 0.279 114.829 114.554 -0.007 0.000 2.939 149 T HA -0.085 4.265 4.350 -0.000 0.000 0.254 149 T C 1.759 176.440 174.700 -0.032 0.000 1.041 149 T CA 0.674 62.767 62.100 -0.013 0.000 1.142 149 T CB 0.036 68.912 68.868 0.013 0.000 0.874 149 T HN 0.201 nan 8.240 nan 0.000 0.452 150 E N 1.268 121.471 120.200 0.005 0.000 2.077 150 E HA -0.111 4.238 4.350 -0.000 0.000 0.193 150 E C 2.272 178.818 176.600 -0.091 0.000 0.989 150 E CA 1.109 57.526 56.400 0.028 0.000 0.800 150 E CB -0.170 29.603 29.700 0.123 0.000 0.746 150 E HN 0.448 nan 8.360 nan 0.000 0.452 151 A N 0.948 123.735 122.820 -0.056 0.000 1.969 151 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 151 A C 2.175 179.673 177.584 -0.143 0.000 1.169 151 A CA 0.804 52.796 52.037 -0.076 0.000 0.635 151 A CB -0.554 18.425 19.000 -0.034 0.000 0.810 151 A HN 0.420 nan 8.150 nan 0.000 0.445 152 L N -0.694 120.448 121.223 -0.134 0.000 2.141 152 L HA -0.087 4.252 4.340 -0.000 0.000 0.209 152 L C 2.309 179.040 176.870 -0.232 0.000 1.094 152 L CA 0.920 55.672 54.840 -0.146 0.000 0.763 152 L CB -0.155 41.845 42.059 -0.098 0.000 0.908 152 L HN 0.409 nan 8.230 nan 0.000 0.437 153 L N -0.469 120.548 121.223 -0.342 0.000 2.072 153 L HA -0.193 4.147 4.340 -0.000 0.000 0.205 153 L C 2.670 179.001 176.870 -0.898 0.000 1.079 153 L CA 0.902 55.404 54.840 -0.563 0.000 0.752 153 L CB -0.581 41.031 42.059 -0.745 0.000 0.906 153 L HN 0.187 nan 8.230 nan 0.000 0.436 154 K N 0.905 120.718 120.400 -0.979 0.000 2.097 154 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 154 K C 2.059 178.543 176.600 -0.193 0.000 1.049 154 K CA 1.555 57.539 56.287 -0.505 0.000 0.933 154 K CB 0.023 32.470 32.500 -0.088 0.000 0.717 154 K HN 0.208 nan 8.250 nan 0.000 0.442 155 K N -0.253 120.027 120.400 -0.200 0.000 2.031 155 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 155 K C 1.950 178.453 176.600 -0.161 0.000 1.049 155 K CA 1.694 57.901 56.287 -0.133 0.000 0.939 155 K CB -0.004 32.423 32.500 -0.121 0.000 0.717 155 K HN 0.131 nan 8.250 nan 0.000 0.438 156 T N 0.503 114.909 114.554 -0.247 0.000 2.759 156 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 156 T C 1.770 176.284 174.700 -0.310 0.000 1.042 156 T CA 1.792 63.685 62.100 -0.346 0.000 1.140 156 T CB -0.345 68.181 68.868 -0.571 0.000 0.864 156 T HN 0.308 nan 8.240 nan 0.000 0.455 157 T N 2.053 116.503 114.554 -0.173 0.000 2.668 157 T HA -0.149 4.201 4.350 -0.000 0.000 0.262 157 T C 1.900 176.626 174.700 0.043 0.000 1.045 157 T CA 1.404 63.539 62.100 0.057 0.000 1.152 157 T CB -0.631 68.417 68.868 0.301 0.000 0.864 157 T HN 0.553 nan 8.240 nan 0.000 0.419 158 D N 1.304 121.724 120.400 0.033 0.000 2.160 158 D HA -0.251 4.389 4.640 -0.000 0.000 0.189 158 D C 1.868 178.169 176.300 0.002 0.000 1.003 158 D CA 1.723 55.740 54.000 0.029 0.000 0.846 158 D CB -0.200 40.608 40.800 0.014 0.000 0.949 158 D HN 0.487 nan 8.370 nan 0.000 0.446 159 E N -0.066 120.114 120.200 -0.033 0.000 2.118 159 E HA -0.151 4.198 4.350 -0.000 0.000 0.195 159 E C 2.499 179.084 176.600 -0.026 0.000 0.992 159 E CA 0.765 57.144 56.400 -0.035 0.000 0.804 159 E CB -0.014 29.651 29.700 -0.058 0.000 0.741 159 E HN 0.495 nan 8.360 nan 0.000 0.458 160 I N 0.426 120.976 120.570 -0.034 0.000 2.142 160 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 160 I C 2.305 178.434 176.117 0.019 0.000 1.078 160 I CA 0.634 61.927 61.300 -0.012 0.000 1.343 160 I CB -0.172 37.825 38.000 -0.006 0.000 1.046 160 I HN 0.137 nan 8.210 nan 0.000 0.405 161 L N 0.880 122.126 121.223 0.039 0.000 2.081 161 L HA -0.225 4.114 4.340 -0.000 0.000 0.212 161 L C 2.560 179.448 176.870 0.030 0.000 1.080 161 L CA 2.186 57.054 54.840 0.048 0.000 0.754 161 L CB -0.992 41.106 42.059 0.064 0.000 0.893 161 L HN 0.233 nan 8.230 nan 0.000 0.433 162 A N -1.651 121.181 122.820 0.019 0.000 1.872 162 A HA -0.229 4.091 4.320 -0.000 0.000 0.214 162 A C 2.228 179.815 177.584 0.005 0.000 1.187 162 A CA 1.339 53.382 52.037 0.011 0.000 0.614 162 A CB -0.558 18.445 19.000 0.005 0.000 0.826 162 A HN 0.522 nan 8.150 nan 0.000 0.442 163 Q N -1.179 118.621 119.800 0.001 0.000 2.488 163 Q HA 0.133 4.473 4.340 -0.000 0.000 0.211 163 Q C 1.175 177.176 176.000 0.001 0.000 0.967 163 Q CA 1.077 56.878 55.803 -0.004 0.000 0.926 163 Q CB -0.151 28.581 28.738 -0.010 0.000 0.992 163 Q HN 0.858 nan 8.270 nan 0.000 0.506 164 G N -1.548 107.260 108.800 0.012 0.000 2.232 164 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 164 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 164 G C 0.409 175.327 174.900 0.029 0.000 0.996 164 G CA -0.157 44.957 45.100 0.023 0.000 0.626 164 G HN 0.931 nan 8.290 nan 0.000 0.509 165 G N -1.777 107.033 108.800 0.017 0.000 2.534 165 G HA2 0.558 4.517 3.960 -0.000 0.000 0.142 165 G HA3 0.558 4.517 3.960 -0.000 0.000 0.142 165 G C -0.411 174.490 174.900 0.000 0.000 1.178 165 G CA 0.955 46.062 45.100 0.013 0.000 1.037 165 G HN 1.896 nan 8.290 nan 0.000 0.474 166 V N -1.080 118.830 119.914 -0.007 0.000 2.815 166 V HA 0.904 5.024 4.120 -0.000 0.000 0.314 166 V C -2.493 173.589 176.094 -0.020 0.000 1.064 166 V CA -2.192 60.112 62.300 0.006 0.000 0.952 166 V CB 2.008 33.846 31.823 0.025 0.000 1.020 166 V HN 0.775 nan 8.190 nan 0.000 0.439 167 P HA 0.060 nan 4.420 nan 0.000 0.267 167 P C -0.496 176.694 177.300 -0.182 0.000 1.200 167 P CA 0.299 63.265 63.100 -0.224 0.000 0.772 167 P CB 0.342 31.744 31.700 -0.496 0.000 0.855 168 N N 1.802 120.370 118.700 -0.221 0.000 3.091 168 N HA 0.132 4.872 4.740 -0.000 0.000 0.301 168 N C -0.485 174.986 175.510 -0.065 0.000 1.325 168 N CA -0.259 52.719 53.050 -0.118 0.000 1.143 168 N CB -0.994 37.438 38.487 -0.090 0.000 1.450 168 N HN 0.176 nan 8.380 nan 0.000 0.542 169 F N 0.224 120.205 119.950 0.051 0.000 2.545 169 F HA 0.154 4.681 4.527 -0.000 0.000 0.348 169 F C 0.602 176.412 175.800 0.017 0.000 1.163 169 F CA 0.008 58.082 58.000 0.122 0.000 1.331 169 F CB 0.265 39.322 39.000 0.095 0.000 1.138 169 F HN 0.069 nan 8.300 nan 0.000 0.602 170 F N 1.683 121.913 119.950 0.466 0.000 2.368 170 F HA 0.367 4.894 4.527 -0.000 0.000 0.362 170 F C 0.997 177.010 175.800 0.355 0.000 1.137 170 F CA -0.741 57.425 58.000 0.276 0.000 1.161 170 F CB -0.047 39.048 39.000 0.158 0.000 1.265 170 F HN 0.492 nan 8.300 nan 0.000 0.530 171 G N 3.206 112.191 108.800 0.309 0.000 2.568 171 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.231 171 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.231 171 G C 1.099 176.219 174.900 0.366 0.000 1.261 171 G CA -0.368 44.876 45.100 0.239 0.000 0.855 171 G HN 0.785 nan 8.290 nan 0.000 0.576 172 I N 0.028 120.761 120.570 0.272 0.000 2.567 172 I HA -0.152 4.017 4.170 -0.000 0.000 0.257 172 I C 2.444 178.744 176.117 0.305 0.000 1.184 172 I CA 1.498 62.981 61.300 0.305 0.000 1.451 172 I CB -0.155 37.931 38.000 0.142 0.000 1.089 172 I HN 0.674 nan 8.210 nan 0.000 0.441 173 Q N -0.443 119.451 119.800 0.157 0.000 2.331 173 Q HA -0.010 4.330 4.340 -0.000 0.000 0.203 173 Q C 1.890 177.924 176.000 0.057 0.000 0.944 173 Q CA 0.380 56.228 55.803 0.075 0.000 0.892 173 Q CB -0.002 28.703 28.738 -0.055 0.000 0.983 173 Q HN 0.429 nan 8.270 nan 0.000 0.482 174 R N -0.105 120.418 120.500 0.038 0.000 2.189 174 R HA -0.039 4.301 4.340 -0.000 0.000 0.218 174 R C 1.006 177.213 176.300 -0.155 0.000 1.074 174 R CA 0.821 56.876 56.100 -0.076 0.000 0.991 174 R CB -0.117 30.141 30.300 -0.070 0.000 0.883 174 R HN 0.278 nan 8.270 nan 0.000 0.457 175 F N 0.097 120.147 119.950 0.166 0.000 2.692 175 F HA 0.328 4.854 4.527 -0.000 0.000 0.303 175 F C 1.021 176.943 175.800 0.204 0.000 1.114 175 F CA 0.158 58.296 58.000 0.230 0.000 1.361 175 F CB 0.634 39.833 39.000 0.331 0.000 1.063 175 F HN 0.005 nan 8.300 nan 0.000 0.550 176 G N -1.204 107.743 108.800 0.246 0.000 2.351 176 G HA2 0.131 4.091 3.960 -0.000 0.000 0.296 176 G HA3 0.131 4.091 3.960 -0.000 0.000 0.296 176 G C 0.017 174.985 174.900 0.113 0.000 1.685 176 G CA -0.578 44.625 45.100 0.173 0.000 0.936 176 G HN -0.085 nan 8.290 nan 0.000 0.714 177 S N -0.146 115.603 115.700 0.081 0.000 2.426 177 S HA -0.144 4.326 4.470 -0.000 0.000 0.220 177 S C 2.241 176.871 174.600 0.049 0.000 1.040 177 S CA 1.970 60.204 58.200 0.056 0.000 1.094 177 S CB -0.278 62.954 63.200 0.054 0.000 1.072 177 S HN 1.367 nan 8.310 nan 0.000 0.415 178 V N 0.277 120.209 119.914 0.031 0.000 3.523 178 V HA 0.379 4.499 4.120 -0.000 0.000 0.255 178 V C 0.474 176.591 176.094 0.038 0.000 1.226 178 V CA 0.025 62.345 62.300 0.033 0.000 1.092 178 V CB 0.171 32.001 31.823 0.011 0.000 0.817 178 V HN 0.283 nan 8.190 nan 0.000 0.458 179 R N 2.252 122.726 120.500 -0.044 0.000 2.473 179 R HA 0.402 4.742 4.340 -0.000 0.000 0.303 179 R C -2.873 173.337 176.300 -0.151 0.000 1.002 179 R CA -1.945 54.007 56.100 -0.247 0.000 0.884 179 R CB 2.125 32.077 30.300 -0.581 0.000 1.173 179 R HN 0.158 nan 8.270 nan 0.000 0.464 180 P HA 0.053 nan 4.420 nan 0.000 0.260 180 P C 0.355 177.805 177.300 0.249 0.000 1.651 180 P CA -0.007 63.281 63.100 0.314 0.000 1.139 180 P CB 0.754 32.725 31.700 0.452 0.000 1.756 181 V N 0.441 120.405 119.914 0.082 0.000 3.502 181 V HA 0.009 4.129 4.120 -0.000 0.000 0.288 181 V C 2.190 178.324 176.094 0.066 0.000 1.461 181 V CA 0.809 63.092 62.300 -0.028 0.000 1.029 181 V CB -0.841 30.913 31.823 -0.116 0.000 0.843 181 V HN 0.321 nan 8.190 nan 0.000 0.438 182 T N 1.422 116.150 114.554 0.289 0.000 2.544 182 T HA -0.396 3.954 4.350 -0.000 0.000 0.264 182 T C 1.873 176.767 174.700 0.323 0.000 1.096 182 T CA 2.835 65.189 62.100 0.424 0.000 1.181 182 T CB -1.306 67.778 68.868 0.362 0.000 0.864 182 T HN 0.858 nan 8.240 nan 0.000 0.415 183 H N 1.795 121.090 119.070 0.374 0.000 2.426 183 H HA 0.033 4.589 4.556 -0.000 0.000 0.298 183 H C 2.147 177.523 175.328 0.079 0.000 1.107 183 H CA 1.512 57.745 56.048 0.307 0.000 1.298 183 H CB -0.912 29.061 29.762 0.352 0.000 1.377 183 H HN 0.399 nan 8.280 nan 0.000 0.519 184 L N 0.279 121.167 121.223 -0.558 0.000 2.217 184 L HA -0.065 4.274 4.340 -0.000 0.000 0.211 184 L C 2.191 178.898 176.870 -0.273 0.000 1.107 184 L CA 0.508 55.087 54.840 -0.434 0.000 0.783 184 L CB -0.071 41.739 42.059 -0.414 0.000 0.919 184 L HN 0.273 nan 8.230 nan 0.000 0.442 185 V N -0.358 119.435 119.914 -0.202 0.000 2.599 185 V HA -0.009 4.110 4.120 -0.000 0.000 0.245 185 V C 2.547 178.435 176.094 -0.343 0.000 1.046 185 V CA 1.546 63.664 62.300 -0.302 0.000 1.065 185 V CB -0.776 30.766 31.823 -0.467 0.000 0.703 185 V HN 0.487 nan 8.190 nan 0.000 0.464 186 G N -0.291 108.415 108.800 -0.156 0.000 2.470 186 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.220 186 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.220 186 G C 1.598 176.206 174.900 -0.486 0.000 1.121 186 G CA 0.913 45.919 45.100 -0.156 0.000 0.766 186 G HN 0.482 nan 8.290 nan 0.000 0.553 187 K N 0.326 120.328 120.400 -0.662 0.000 2.116 187 K HA 0.210 4.529 4.320 -0.000 0.000 0.203 187 K C 2.722 178.924 176.600 -0.664 0.000 1.052 187 K CA 0.898 56.521 56.287 -1.106 0.000 0.952 187 K CB -0.162 31.837 32.500 -0.835 0.000 0.729 187 K HN 0.184 nan 8.250 nan 0.000 0.446 188 A N 1.383 123.909 122.820 -0.490 0.000 1.897 188 A HA -0.062 4.257 4.320 -0.000 0.000 0.215 188 A C 2.004 179.298 177.584 -0.483 0.000 1.181 188 A CA 1.038 52.831 52.037 -0.407 0.000 0.620 188 A CB -0.462 18.328 19.000 -0.350 0.000 0.821 188 A HN 0.284 nan 8.150 nan 0.000 0.443 189 I N -0.393 119.804 120.570 -0.620 0.000 2.127 189 I HA -0.237 3.933 4.170 -0.000 0.000 0.241 189 I C 2.353 178.202 176.117 -0.446 0.000 1.075 189 I CA 1.292 62.127 61.300 -0.776 0.000 1.334 189 I CB -0.672 36.857 38.000 -0.785 0.000 1.040 189 I HN 0.134 nan 8.210 nan 0.000 0.405 190 V N 1.086 120.745 119.914 -0.425 0.000 2.278 190 V HA -0.325 3.794 4.120 -0.000 0.000 0.251 190 V C 2.355 178.314 176.094 -0.226 0.000 1.062 190 V CA 2.233 64.321 62.300 -0.353 0.000 1.038 190 V CB -0.774 30.746 31.823 -0.505 0.000 0.646 190 V HN 0.475 nan 8.190 nan 0.000 0.447 191 E N -0.565 119.488 120.200 -0.246 0.000 2.333 191 E HA 0.016 4.366 4.350 -0.000 0.000 0.198 191 E C 1.814 178.367 176.600 -0.078 0.000 1.007 191 E CA 0.808 57.121 56.400 -0.144 0.000 0.845 191 E CB -0.134 29.470 29.700 -0.159 0.000 0.766 191 E HN 0.725 nan 8.360 nan 0.000 0.507 192 G N 0.872 109.624 108.800 -0.079 0.000 2.238 192 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 192 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 192 G C 0.046 175.022 174.900 0.127 0.000 0.996 192 G CA -0.355 44.788 45.100 0.071 0.000 0.632 192 G HN 0.128 nan 8.290 nan 0.000 0.503 193 N N 0.497 119.172 118.700 -0.042 0.000 2.452 193 N HA 0.398 5.138 4.740 -0.000 0.000 0.266 193 N C 0.080 175.519 175.510 -0.118 0.000 1.175 193 N CA 0.336 53.369 53.050 -0.029 0.000 0.945 193 N CB 0.527 38.951 38.487 -0.104 0.000 1.063 193 N HN 0.156 nan 8.380 nan 0.000 0.472 194 F N 0.509 120.437 119.950 -0.037 0.000 2.724 194 F HA 0.116 4.643 4.527 -0.000 0.000 0.306 194 F C 2.100 177.847 175.800 -0.089 0.000 1.100 194 F CA -0.151 57.856 58.000 0.011 0.000 1.255 194 F CB 0.382 39.443 39.000 0.101 0.000 1.072 194 F HN 0.434 nan 8.300 nan 0.000 0.589 195 E N 0.533 120.699 120.200 -0.057 0.000 2.152 195 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 195 E C 1.937 178.307 176.600 -0.384 0.000 0.983 195 E CA 1.302 57.427 56.400 -0.459 0.000 0.818 195 E CB 0.184 29.713 29.700 -0.286 0.000 0.758 195 E HN -0.063 nan 8.360 nan 0.000 0.467 196 K N -0.224 120.044 120.400 -0.219 0.000 2.168 196 K HA 0.197 4.517 4.320 -0.000 0.000 0.201 196 K C 2.059 178.551 176.600 -0.180 0.000 1.049 196 K CA 0.916 57.092 56.287 -0.185 0.000 0.974 196 K CB -0.455 31.951 32.500 -0.158 0.000 0.792 196 K HN 0.162 nan 8.250 nan 0.000 0.463 197 A N 1.701 124.396 122.820 -0.208 0.000 1.940 197 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 197 A C 2.341 179.870 177.584 -0.091 0.000 1.176 197 A CA 2.140 54.048 52.037 -0.215 0.000 0.631 197 A CB -0.492 18.291 19.000 -0.361 0.000 0.814 197 A HN 0.284 nan 8.150 nan 0.000 0.446 198 A N -1.073 121.687 122.820 -0.100 0.000 1.898 198 A HA 0.177 4.497 4.320 -0.000 0.000 0.214 198 A C 1.975 179.504 177.584 -0.091 0.000 1.183 198 A CA 1.336 53.257 52.037 -0.194 0.000 0.622 198 A CB -0.432 18.453 19.000 -0.192 0.000 0.824 198 A HN 0.371 nan 8.150 nan 0.000 0.444 199 L N -0.163 120.997 121.223 -0.105 0.000 2.093 199 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 199 L C 2.328 179.201 176.870 0.005 0.000 1.085 199 L CA 1.257 56.083 54.840 -0.024 0.000 0.755 199 L CB -0.632 41.389 42.059 -0.064 0.000 0.904 199 L HN 0.351 nan 8.230 nan 0.000 0.435 200 L N -2.477 118.727 121.223 -0.031 0.000 2.265 200 L HA -0.258 4.081 4.340 -0.000 0.000 0.215 200 L C 2.230 179.108 176.870 0.013 0.000 1.117 200 L CA 1.139 55.967 54.840 -0.021 0.000 0.782 200 L CB -0.429 41.589 42.059 -0.070 0.000 0.914 200 L HN 0.310 nan 8.230 nan 0.000 0.441 201 Y N -0.282 119.966 120.300 -0.086 0.000 2.396 201 Y HA 0.054 4.603 4.550 -0.000 0.000 0.292 201 Y C 2.262 178.183 175.900 0.035 0.000 1.128 201 Y CA 0.642 58.721 58.100 -0.036 0.000 1.194 201 Y CB 0.210 38.631 38.460 -0.065 0.000 1.124 201 Y HN -0.072 nan 8.280 nan 0.000 0.543 202 I N 0.091 120.734 120.570 0.121 0.000 2.142 202 I HA -0.199 3.970 4.170 -0.000 0.000 0.240 202 I C 1.759 177.993 176.117 0.195 0.000 1.078 202 I CA 1.128 62.496 61.300 0.113 0.000 1.343 202 I CB -0.559 37.492 38.000 0.084 0.000 1.046 202 I HN 0.268 nan 8.210 nan 0.000 0.405 203 A N -0.171 122.748 122.820 0.164 0.000 3.888 203 A HA 0.476 4.795 4.320 -0.000 0.000 0.158 203 A C 0.063 177.690 177.584 0.072 0.000 1.485 203 A CA -0.067 52.079 52.037 0.183 0.000 1.261 203 A CB 0.101 19.208 19.000 0.179 0.000 1.670 203 A HN 0.258 nan 8.150 nan 0.000 0.661 204 E N -1.047 119.199 120.200 0.078 0.000 4.220 204 E HA -0.096 4.254 4.350 -0.000 0.000 0.160 204 E C -2.570 174.100 176.600 0.116 0.000 1.630 204 E CA 0.547 57.003 56.400 0.093 0.000 0.960 204 E CB -1.010 28.731 29.700 0.069 0.000 1.061 204 E HN 0.373 nan 8.360 nan 0.000 0.360 205 P HA 0.262 nan 4.420 nan 0.000 0.277 205 P C -0.555 177.027 177.300 0.469 0.000 1.240 205 P CA -0.058 63.152 63.100 0.183 0.000 0.798 205 P CB 0.440 32.199 31.700 0.098 0.000 0.979 206 F N 1.528 121.466 119.950 -0.021 0.000 2.563 206 F HA 0.312 4.839 4.527 -0.000 0.000 0.316 206 F C -0.998 174.795 175.800 -0.012 0.000 1.076 206 F CA -2.616 55.377 58.000 -0.011 0.000 0.921 206 F CB 2.790 41.789 39.000 -0.002 0.000 1.209 206 F HN 0.205 nan 8.300 nan 0.000 0.462 207 P HA -0.147 nan 4.420 nan 0.000 0.236 207 P C 0.570 177.904 177.300 0.056 0.000 1.172 207 P CA 1.204 64.322 63.100 0.030 0.000 0.759 207 P CB 0.248 31.929 31.700 -0.032 0.000 0.843 208 E N 0.476 120.743 120.200 0.112 0.000 2.216 208 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 208 E C 0.606 177.244 176.600 0.062 0.000 0.973 208 E CA 0.273 56.727 56.400 0.089 0.000 0.851 208 E CB -0.049 29.727 29.700 0.126 0.000 0.804 208 E HN 0.334 nan 8.360 nan 0.000 0.477 209 E N 2.054 122.296 120.200 0.070 0.000 2.374 209 E HA 0.140 4.490 4.350 -0.000 0.000 0.260 209 E C -2.176 174.431 176.600 0.011 0.000 1.101 209 E CA -1.892 54.524 56.400 0.026 0.000 0.907 209 E CB 0.229 29.935 29.700 0.011 0.000 1.014 209 E HN 0.182 nan 8.360 nan 0.000 0.427 210 P HA -0.061 nan 4.420 nan 0.000 0.271 210 P C -0.121 177.170 177.300 -0.016 0.000 1.216 210 P CA 0.131 63.223 63.100 -0.012 0.000 0.776 210 P CB 0.691 32.379 31.700 -0.021 0.000 0.881 211 E N 0.896 121.089 120.200 -0.010 0.000 2.448 211 E HA -0.248 4.102 4.350 -0.000 0.000 0.203 211 E C 1.189 177.777 176.600 -0.019 0.000 1.046 211 E CA 1.418 57.812 56.400 -0.009 0.000 0.871 211 E CB -0.218 29.479 29.700 -0.005 0.000 0.790 211 E HN 0.332 nan 8.360 nan 0.000 0.545 212 E N 0.361 120.543 120.200 -0.030 0.000 2.024 212 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 212 E C 2.185 178.742 176.600 -0.071 0.000 0.974 212 E CA 2.064 58.438 56.400 -0.043 0.000 0.810 212 E CB -0.437 29.239 29.700 -0.040 0.000 0.775 212 E HN 0.474 nan 8.360 nan 0.000 0.453 213 T N -0.846 113.654 114.554 -0.091 0.000 2.867 213 T HA -0.117 4.232 4.350 -0.000 0.000 0.268 213 T C 1.878 176.487 174.700 -0.151 0.000 1.057 213 T CA 1.348 63.351 62.100 -0.161 0.000 1.136 213 T CB -0.196 68.578 68.868 -0.156 0.000 0.874 213 T HN 0.022 nan 8.240 nan 0.000 0.466 214 K N 1.158 121.513 120.400 -0.075 0.000 2.152 214 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 214 K C 1.487 178.075 176.600 -0.020 0.000 1.048 214 K CA 1.601 57.868 56.287 -0.032 0.000 0.933 214 K CB -0.246 32.255 32.500 0.001 0.000 0.721 214 K HN 0.343 nan 8.250 nan 0.000 0.447 215 N N -0.341 118.344 118.700 -0.026 0.000 2.353 215 N HA 0.060 4.800 4.740 -0.000 0.000 0.185 215 N C 1.038 176.565 175.510 0.029 0.000 1.098 215 N CA 0.576 53.634 53.050 0.014 0.000 0.872 215 N CB 0.439 38.933 38.487 0.013 0.000 0.970 215 N HN 0.237 nan 8.380 nan 0.000 0.467 216 A N 0.743 123.523 122.820 -0.066 0.000 1.898 216 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 216 A C 2.098 179.701 177.584 0.033 0.000 1.183 216 A CA 0.847 52.830 52.037 -0.090 0.000 0.622 216 A CB -0.116 18.662 19.000 -0.370 0.000 0.824 216 A HN 0.135 nan 8.150 nan 0.000 0.444 217 R N -1.018 119.424 120.500 -0.097 0.000 2.075 217 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 217 R C 2.394 178.788 176.300 0.157 0.000 1.126 217 R CA 1.179 57.335 56.100 0.094 0.000 0.963 217 R CB -0.288 30.015 30.300 0.005 0.000 0.858 217 R HN 0.410 nan 8.270 nan 0.000 0.435 218 Q N 0.256 120.120 119.800 0.106 0.000 2.135 218 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 218 Q C 1.769 177.840 176.000 0.117 0.000 0.981 218 Q CA 1.504 57.364 55.803 0.095 0.000 0.856 218 Q CB -0.244 28.540 28.738 0.075 0.000 0.902 218 Q HN 0.257 nan 8.270 nan 0.000 0.425 219 F N 0.591 120.566 119.950 0.041 0.000 2.031 219 F HA -0.228 4.299 4.527 -0.000 0.000 0.295 219 F C 2.188 178.010 175.800 0.037 0.000 1.133 219 F CA 2.020 60.043 58.000 0.039 0.000 1.188 219 F CB -0.531 38.501 39.000 0.053 0.000 0.974 219 F HN -0.014 nan 8.300 nan 0.000 0.473 220 V N -0.983 119.065 119.914 0.224 0.000 3.241 220 V HA -0.146 3.974 4.120 -0.000 0.000 0.269 220 V C 2.019 178.100 176.094 -0.022 0.000 1.151 220 V CA 1.856 64.184 62.300 0.047 0.000 1.158 220 V CB -1.274 30.694 31.823 0.240 0.000 0.764 220 V HN 0.487 nan 8.190 nan 0.000 0.508 221 K N 1.813 122.224 120.400 0.019 0.000 2.296 221 K HA -0.105 4.214 4.320 -0.000 0.000 0.200 221 K C 1.214 177.777 176.600 -0.062 0.000 1.048 221 K CA 1.546 57.839 56.287 0.010 0.000 0.966 221 K CB -0.008 32.517 32.500 0.041 0.000 0.754 221 K HN 0.795 nan 8.250 nan 0.000 0.466 222 D N -2.064 118.255 120.400 -0.134 0.000 2.500 222 D HA -0.025 4.615 4.640 -0.000 0.000 0.217 222 D C 0.876 177.039 176.300 -0.229 0.000 1.159 222 D CA 0.199 54.107 54.000 -0.154 0.000 0.828 222 D CB 0.885 41.607 40.800 -0.130 0.000 1.039 222 D HN 0.182 nan 8.370 nan 0.000 0.512 223 T N -2.668 111.691 114.554 -0.325 0.000 2.966 223 T HA 0.180 4.530 4.350 -0.000 0.000 0.254 223 T C 1.145 175.637 174.700 -0.346 0.000 0.961 223 T CA -0.188 61.686 62.100 -0.376 0.000 0.915 223 T CB -0.105 68.374 68.868 -0.649 0.000 1.186 223 T HN 0.092 nan 8.240 nan 0.000 0.505 224 L N 1.402 122.401 121.223 -0.374 0.000 4.179 224 L HA -0.154 4.186 4.340 -0.000 0.000 0.418 224 L C -0.146 176.133 176.870 -0.984 0.000 1.168 224 L CA 0.758 55.220 54.840 -0.629 0.000 0.972 224 L CB -1.677 40.147 42.059 -0.391 0.000 2.005 224 L HN 0.403 nan 8.230 nan 0.000 0.935 225 D N 0.293 120.379 120.400 -0.525 0.000 2.508 225 D HA 0.164 4.803 4.640 -0.000 0.000 0.224 225 D C 0.961 177.157 176.300 -0.174 0.000 1.171 225 D CA -0.244 53.585 54.000 -0.285 0.000 1.006 225 D CB 0.116 40.919 40.800 0.004 0.000 1.073 225 D HN 0.179 nan 8.370 nan 0.000 0.513 226 F N 1.662 121.647 119.950 0.059 0.000 2.333 226 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 226 F C 2.150 177.953 175.800 0.004 0.000 1.083 226 F CA 0.582 58.588 58.000 0.010 0.000 1.395 226 F CB -0.346 38.645 39.000 -0.016 0.000 1.056 226 F HN 0.260 nan 8.300 nan 0.000 0.529 227 K N 0.150 120.637 120.400 0.145 0.000 2.057 227 K HA -0.210 4.109 4.320 -0.000 0.000 0.207 227 K C 1.997 178.645 176.600 0.078 0.000 1.049 227 K CA 1.660 58.004 56.287 0.095 0.000 0.931 227 K CB -0.246 32.293 32.500 0.065 0.000 0.714 227 K HN 0.128 nan 8.250 nan 0.000 0.440 228 E N 0.650 120.910 120.200 0.100 0.000 2.072 228 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 228 E C 2.018 178.664 176.600 0.077 0.000 0.982 228 E CA 1.424 57.863 56.400 0.066 0.000 0.803 228 E CB -0.452 29.306 29.700 0.096 0.000 0.755 228 E HN 0.299 nan 8.360 nan 0.000 0.453 229 G N 0.642 109.529 108.800 0.145 0.000 2.442 229 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.219 229 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.219 229 G C 1.432 176.339 174.900 0.011 0.000 1.141 229 G CA 0.923 46.095 45.100 0.119 0.000 0.763 229 G HN 0.360 nan 8.290 nan 0.000 0.554 230 L N -0.342 120.882 121.223 0.001 0.000 2.610 230 L HA 0.306 4.646 4.340 -0.000 0.000 0.232 230 L C 2.214 179.110 176.870 0.044 0.000 1.149 230 L CA 1.181 56.023 54.840 0.004 0.000 0.872 230 L CB 0.134 42.200 42.059 0.012 0.000 0.992 230 L HN 0.193 nan 8.230 nan 0.000 0.447 231 K N -2.632 117.801 120.400 0.055 0.000 2.365 231 K HA 0.064 4.384 4.320 -0.000 0.000 0.195 231 K C 1.810 178.436 176.600 0.044 0.000 1.079 231 K CA 1.033 57.341 56.287 0.036 0.000 0.979 231 K CB 0.261 32.766 32.500 0.009 0.000 0.929 231 K HN 0.082 nan 8.250 nan 0.000 0.523 232 T N -1.100 113.508 114.554 0.090 0.000 3.042 232 T HA 0.144 4.494 4.350 -0.000 0.000 0.245 232 T C -0.375 174.413 174.700 0.146 0.000 1.029 232 T CA -0.052 62.094 62.100 0.078 0.000 1.120 232 T CB -0.198 68.678 68.868 0.015 0.000 0.917 232 T HN 0.017 nan 8.240 nan 0.000 0.467 233 Y N 4.281 124.582 120.300 0.002 0.000 2.650 233 Y HA 0.240 4.790 4.550 -0.000 0.000 0.331 233 Y C -1.763 174.139 175.900 0.003 0.000 1.165 233 Y CA -2.656 55.450 58.100 0.010 0.000 1.473 233 Y CB 0.065 38.543 38.460 0.030 0.000 1.224 233 Y HN 0.261 nan 8.280 nan 0.000 0.533 234 P HA 0.009 nan 4.420 nan 0.000 0.269 234 P C 0.543 177.886 177.300 0.071 0.000 1.209 234 P CA -0.032 63.099 63.100 0.052 0.000 0.776 234 P CB 1.043 32.747 31.700 0.006 0.000 0.876 235 L N 1.485 122.738 121.223 0.050 0.000 2.351 235 L HA -0.183 4.157 4.340 -0.000 0.000 0.220 235 L C 2.858 179.745 176.870 0.028 0.000 1.127 235 L CA 1.285 56.150 54.840 0.041 0.000 0.786 235 L CB -0.794 41.282 42.059 0.028 0.000 0.914 235 L HN 0.497 nan 8.230 nan 0.000 0.443 236 R N 1.185 121.699 120.500 0.024 0.000 2.139 236 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 236 R C 0.829 177.131 176.300 0.003 0.000 1.145 236 R CA 1.116 57.222 56.100 0.010 0.000 0.976 236 R CB -0.165 30.138 30.300 0.006 0.000 0.866 236 R HN 0.334 nan 8.270 nan 0.000 0.449 237 L N 1.123 122.367 121.223 0.034 0.000 2.449 237 L HA 0.254 4.594 4.340 -0.000 0.000 0.255 237 L C 1.407 178.307 176.870 0.050 0.000 1.167 237 L CA -0.400 54.472 54.840 0.053 0.000 1.090 237 L CB 1.144 43.282 42.059 0.131 0.000 1.385 237 L HN 0.312 nan 8.230 nan 0.000 0.411 238 G N -0.220 108.553 108.800 -0.047 0.000 2.418 238 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 238 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 238 G C 1.376 176.300 174.900 0.040 0.000 1.158 238 G CA 0.348 45.420 45.100 -0.048 0.000 0.771 238 G HN 0.549 nan 8.290 nan 0.000 0.545 239 H N 0.770 119.935 119.070 0.157 0.000 2.352 239 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 239 H C 2.628 178.102 175.328 0.243 0.000 1.097 239 H CA 1.621 57.807 56.048 0.229 0.000 1.311 239 H CB -0.291 29.697 29.762 0.377 0.000 1.377 239 H HN 0.360 nan 8.280 nan 0.000 0.504 240 E N 0.544 120.939 120.200 0.326 0.000 2.072 240 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 240 E C 2.503 179.129 176.600 0.044 0.000 0.985 240 E CA 0.662 57.177 56.400 0.191 0.000 0.801 240 E CB -0.007 29.798 29.700 0.176 0.000 0.750 240 E HN 0.333 nan 8.360 nan 0.000 0.452 241 R N 0.715 121.243 120.500 0.046 0.000 2.073 241 R HA 0.038 4.378 4.340 -0.000 0.000 0.234 241 R C 1.270 177.573 176.300 0.005 0.000 1.134 241 R CA 0.770 56.862 56.100 -0.013 0.000 0.952 241 R CB -0.524 29.792 30.300 0.027 0.000 0.850 241 R HN 0.122 nan 8.270 nan 0.000 0.433 246 H N 1.729 120.735 119.070 -0.107 0.000 2.518 246 H HA 0.209 4.764 4.556 -0.000 0.000 0.289 246 H C 1.629 176.859 175.328 -0.163 0.000 1.051 246 H CA 1.392 57.373 56.048 -0.112 0.000 1.280 246 H CB 0.065 29.761 29.762 -0.110 0.000 1.380 246 H HN 0.135 nan 8.280 nan 0.000 0.566 247 L N 0.421 121.517 121.223 -0.212 0.000 2.607 247 L HA 0.095 4.434 4.340 -0.000 0.000 0.228 247 L C 1.873 178.666 176.870 -0.129 0.000 1.123 247 L CA 0.162 54.820 54.840 -0.303 0.000 0.890 247 L CB 0.052 41.743 42.059 -0.614 0.000 1.103 247 L HN 0.434 nan 8.230 nan 0.000 0.468 248 I N -3.442 117.080 120.570 -0.080 0.000 2.585 248 I HA 0.107 4.276 4.170 -0.000 0.000 0.254 248 I C 2.304 178.389 176.117 -0.053 0.000 1.129 248 I CA 1.102 62.398 61.300 -0.006 0.000 1.455 248 I CB -0.161 37.848 38.000 0.015 0.000 1.111 248 I HN -0.009 nan 8.210 nan 0.000 0.433 249 A N 1.213 123.967 122.820 -0.112 0.000 1.997 249 A HA 0.206 4.526 4.320 -0.000 0.000 0.212 249 A C 0.901 178.385 177.584 -0.167 0.000 1.178 249 A CA 0.339 52.305 52.037 -0.118 0.000 0.698 249 A CB -0.589 18.341 19.000 -0.115 0.000 0.842 249 A HN 0.580 nan 8.150 nan 0.000 0.458 250 N N 1.822 120.356 118.700 -0.277 0.000 3.044 250 N HA 0.242 4.982 4.740 -0.000 0.000 0.254 250 N C -2.991 172.354 175.510 -0.275 0.000 1.253 250 N CA -1.483 51.380 53.050 -0.311 0.000 0.944 250 N CB 1.110 39.271 38.487 -0.544 0.000 1.217 250 N HN 0.296 nan 8.380 nan 0.000 0.498 251 P HA -0.005 nan 4.420 nan 0.000 0.268 251 P C 0.010 177.183 177.300 -0.213 0.000 1.204 251 P CA 0.539 63.547 63.100 -0.153 0.000 0.768 251 P CB 0.831 32.492 31.700 -0.065 0.000 0.842 252 E N -0.208 119.778 120.200 -0.357 0.000 3.170 252 E HA -0.227 4.123 4.350 -0.000 0.000 0.284 252 E C -0.116 176.222 176.600 -0.437 0.000 0.967 252 E CA 1.060 57.210 56.400 -0.417 0.000 0.919 252 E CB -2.149 27.514 29.700 -0.062 0.000 1.469 252 E HN 0.622 nan 8.360 nan 0.000 0.444 253 D N -0.632 119.480 120.400 -0.480 0.000 3.072 253 D HA 0.139 4.779 4.640 -0.000 0.000 0.250 253 D C 0.972 177.157 176.300 -0.190 0.000 1.304 253 D CA -0.169 53.693 54.000 -0.229 0.000 0.861 253 D CB -0.301 40.417 40.800 -0.136 0.000 1.062 253 D HN 0.149 nan 8.370 nan 0.000 0.481 254 Y N -0.147 120.147 120.300 -0.010 0.000 2.315 254 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 254 Y C 2.703 178.597 175.900 -0.011 0.000 1.154 254 Y CA 1.109 59.180 58.100 -0.047 0.000 1.229 254 Y CB -0.807 37.666 38.460 0.022 0.000 0.980 254 Y HN 0.196 nan 8.280 nan 0.000 0.540 255 S N -0.808 114.929 115.700 0.061 0.000 2.359 255 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 255 S C 2.221 176.794 174.600 -0.045 0.000 1.035 255 S CA 1.245 59.312 58.200 -0.221 0.000 1.018 255 S CB -1.181 61.810 63.200 -0.349 0.000 0.876 255 S HN 0.448 nan 8.310 nan 0.000 0.448 256 G N 1.013 109.865 108.800 0.086 0.000 3.141 256 G HA2 0.190 4.150 3.960 -0.000 0.000 0.218 256 G HA3 0.190 4.150 3.960 -0.000 0.000 0.218 256 G C 1.276 176.082 174.900 -0.157 0.000 1.170 256 G CA 0.405 45.617 45.100 0.187 0.000 0.769 256 G HN 0.698 nan 8.290 nan 0.000 0.546 257 S N -0.218 115.351 115.700 -0.218 0.000 2.547 257 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 257 S C 1.561 175.894 174.600 -0.445 0.000 0.980 257 S CA 0.299 58.270 58.200 -0.380 0.000 0.941 257 S CB -0.436 62.553 63.200 -0.352 0.000 0.763 257 S HN 0.172 nan 8.310 nan 0.000 0.532 258 F N 1.139 120.992 119.950 -0.163 0.000 2.754 258 F HA 0.434 4.961 4.527 -0.000 0.000 0.297 258 F C 2.274 178.198 175.800 0.207 0.000 1.122 258 F CA -0.271 57.688 58.000 -0.068 0.000 1.400 258 F CB -0.114 38.703 39.000 -0.305 0.000 1.117 258 F HN 0.102 nan 8.300 nan 0.000 0.587 259 R N 0.585 121.330 120.500 0.408 0.000 2.340 259 R HA 0.026 4.366 4.340 -0.000 0.000 0.215 259 R C 1.303 177.643 176.300 0.066 0.000 1.017 259 R CA 0.419 56.721 56.100 0.336 0.000 1.111 259 R CB -0.058 30.415 30.300 0.290 0.000 1.049 259 R HN 0.300 nan 8.270 nan 0.000 0.490 260 V N -3.163 116.772 119.914 0.034 0.000 3.621 260 V HA 0.245 4.365 4.120 -0.000 0.000 0.263 260 V C 0.573 176.702 176.094 0.059 0.000 1.272 260 V CA 0.020 62.327 62.300 0.012 0.000 1.080 260 V CB -0.016 31.796 31.823 -0.019 0.000 0.816 260 V HN -0.039 nan 8.190 nan 0.000 0.451 261 L N 2.949 124.222 121.223 0.083 0.000 2.325 261 L HA 0.537 4.876 4.340 -0.000 0.000 0.279 261 L C -1.683 175.183 176.870 -0.007 0.000 1.054 261 L CA -1.919 52.952 54.840 0.052 0.000 0.804 261 L CB 0.919 42.984 42.059 0.010 0.000 1.200 261 L HN 0.046 nan 8.230 nan 0.000 0.436 262 P HA -0.042 nan 4.420 nan 0.000 0.285 262 P C -0.320 176.916 177.300 -0.107 0.000 1.282 262 P CA -0.257 62.795 63.100 -0.079 0.000 0.778 262 P CB 0.329 32.021 31.700 -0.014 0.000 1.222 263 Q N -1.457 118.279 119.800 -0.107 0.000 2.541 263 Q HA -0.051 4.289 4.340 -0.000 0.000 0.215 263 Q C 1.479 177.523 176.000 0.072 0.000 0.977 263 Q CA 0.984 56.797 55.803 0.016 0.000 0.934 263 Q CB -1.193 27.551 28.738 0.010 0.000 0.988 263 Q HN 0.410 nan 8.270 nan 0.000 0.521 264 N N 0.128 118.825 118.700 -0.006 0.000 2.097 264 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 264 N C 1.109 176.525 175.510 -0.156 0.000 1.082 264 N CA 0.630 53.640 53.050 -0.067 0.000 0.909 264 N CB 0.006 38.449 38.487 -0.072 0.000 1.051 264 N HN 0.187 nan 8.380 nan 0.000 0.449 265 L N 0.834 121.881 121.223 -0.292 0.000 2.189 265 L HA -0.205 4.135 4.340 -0.000 0.000 0.214 265 L C 2.200 178.704 176.870 -0.609 0.000 1.097 265 L CA 1.254 55.703 54.840 -0.652 0.000 0.764 265 L CB -1.856 39.728 42.059 -0.791 0.000 0.900 265 L HN 0.499 nan 8.230 nan 0.000 0.436 266 Y N 1.107 121.228 120.300 -0.298 0.000 2.144 266 Y HA -0.309 4.241 4.550 -0.000 0.000 0.277 266 Y C 1.788 177.632 175.900 -0.094 0.000 1.229 266 Y CA 1.644 59.695 58.100 -0.083 0.000 1.144 266 Y CB -0.014 38.444 38.460 -0.003 0.000 0.953 266 Y HN 0.222 nan 8.280 nan 0.000 0.515 270 V N 1.875 121.898 119.914 0.182 0.000 2.324 270 V HA -0.315 3.804 4.120 -0.000 0.000 0.250 270 V C 2.244 178.505 176.094 0.278 0.000 1.060 270 V CA 2.682 65.111 62.300 0.215 0.000 1.042 270 V CB -0.842 31.085 31.823 0.174 0.000 0.650 270 V HN 0.482 nan 8.190 nan 0.000 0.450 271 H N 0.557 119.667 119.070 0.068 0.000 2.421 271 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 271 H C 2.190 177.480 175.328 -0.063 0.000 1.087 271 H CA 1.779 57.812 56.048 -0.025 0.000 1.330 271 H CB -0.238 29.460 29.762 -0.107 0.000 1.388 271 H HN 0.421 nan 8.280 nan 0.000 0.526 272 G N 0.057 108.976 108.800 0.199 0.000 2.464 272 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.214 272 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.214 272 G C 1.587 176.711 174.900 0.373 0.000 1.218 272 G CA 0.711 45.943 45.100 0.219 0.000 0.794 272 G HN 0.502 nan 8.290 nan 0.000 0.542 273 Y N 1.566 122.040 120.300 0.289 0.000 2.283 273 Y HA -0.215 4.335 4.550 -0.000 0.000 0.285 273 Y C 2.870 178.976 175.900 0.342 0.000 1.176 273 Y CA 2.097 60.384 58.100 0.311 0.000 1.229 273 Y CB -0.229 38.340 38.460 0.180 0.000 0.975 273 Y HN 0.342 nan 8.280 nan 0.000 0.537 274 Q N -1.363 118.535 119.800 0.163 0.000 2.096 274 Q HA -0.128 4.212 4.340 -0.000 0.000 0.197 274 Q C 2.437 178.367 176.000 -0.117 0.000 0.964 274 Q CA 1.533 57.314 55.803 -0.037 0.000 0.838 274 Q CB -0.143 28.491 28.738 -0.173 0.000 0.906 274 Q HN 0.363 nan 8.270 nan 0.000 0.444 275 S N 0.319 115.843 115.700 -0.293 0.000 2.382 275 S HA -0.186 4.283 4.470 -0.000 0.000 0.228 275 S C 1.557 176.308 174.600 0.252 0.000 1.027 275 S CA 1.121 59.047 58.200 -0.456 0.000 0.991 275 S CB -0.383 62.060 63.200 -1.263 0.000 0.823 275 S HN 0.419 nan 8.310 nan 0.000 0.469 276 Y N 2.351 122.806 120.300 0.259 0.000 2.070 276 Y HA -0.165 4.385 4.550 -0.000 0.000 0.280 276 Y C 1.914 177.861 175.900 0.078 0.000 1.148 276 Y CA 1.329 59.537 58.100 0.180 0.000 1.125 276 Y CB -0.682 37.847 38.460 0.114 0.000 0.975 276 Y HN 0.158 nan 8.280 nan 0.000 0.492 277 I N -0.607 119.898 120.570 -0.108 0.000 2.208 277 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 277 I C 2.306 178.359 176.117 -0.106 0.000 1.097 277 I CA 1.923 63.082 61.300 -0.235 0.000 1.363 277 I CB -0.682 37.211 38.000 -0.178 0.000 1.051 277 I HN 0.373 nan 8.210 nan 0.000 0.413 278 Y N 1.907 122.156 120.300 -0.085 0.000 2.207 278 Y HA -0.285 4.265 4.550 -0.000 0.000 0.287 278 Y C 2.106 178.036 175.900 0.050 0.000 1.156 278 Y CA 1.972 60.069 58.100 -0.005 0.000 1.182 278 Y CB -0.619 37.885 38.460 0.074 0.000 0.979 278 Y HN 0.205 nan 8.280 nan 0.000 0.521 279 N N 0.197 119.046 118.700 0.249 0.000 2.058 279 N HA -0.200 4.539 4.740 -0.000 0.000 0.191 279 N C 1.838 177.375 175.510 0.045 0.000 1.037 279 N CA 1.993 55.206 53.050 0.273 0.000 0.848 279 N CB -0.247 38.440 38.487 0.333 0.000 1.021 279 N HN 0.324 nan 8.380 nan 0.000 0.422 280 I N 1.235 121.714 120.570 -0.152 0.000 2.087 280 I HA -0.337 3.832 4.170 -0.000 0.000 0.240 280 I C 2.072 178.099 176.117 -0.150 0.000 1.054 280 I CA 1.335 62.520 61.300 -0.192 0.000 1.311 280 I CB -0.559 37.251 38.000 -0.317 0.000 1.024 280 I HN 0.177 nan 8.210 nan 0.000 0.402 281 I N 0.471 120.921 120.570 -0.200 0.000 2.145 281 I HA -0.351 3.818 4.170 -0.000 0.000 0.244 281 I C 2.630 178.605 176.117 -0.238 0.000 1.075 281 I CA 1.619 62.790 61.300 -0.214 0.000 1.332 281 I CB -0.333 37.522 38.000 -0.242 0.000 1.033 281 I HN 0.288 nan 8.210 nan 0.000 0.410 282 L N -0.156 120.860 121.223 -0.344 0.000 2.127 282 L HA -0.285 4.055 4.340 -0.000 0.000 0.211 282 L C 2.539 179.294 176.870 -0.192 0.000 1.089 282 L CA 1.386 55.993 54.840 -0.388 0.000 0.757 282 L CB -0.134 41.523 42.059 -0.669 0.000 0.899 282 L HN 0.466 nan 8.230 nan 0.000 0.434 283 C N -1.178 118.106 119.300 -0.027 0.000 2.543 283 C HA -0.092 4.368 4.460 -0.000 0.000 0.281 283 C C 2.731 177.706 174.990 -0.024 0.000 1.276 283 C CA 0.268 59.320 59.018 0.057 0.000 1.700 283 C CB -0.701 27.083 27.740 0.073 0.000 2.093 283 C HN 0.478 nan 8.230 nan 0.000 0.488 284 R N 1.184 121.649 120.500 -0.058 0.000 2.119 284 R HA -0.167 4.173 4.340 -0.000 0.000 0.246 284 R C 2.265 178.526 176.300 -0.066 0.000 1.146 284 R CA 1.673 57.734 56.100 -0.065 0.000 0.962 284 R CB -0.624 29.626 30.300 -0.084 0.000 0.863 284 R HN 0.541 nan 8.270 nan 0.000 0.442 285 R N -0.331 120.117 120.500 -0.087 0.000 2.115 285 R HA 0.007 4.347 4.340 -0.000 0.000 0.230 285 R C 1.992 178.252 176.300 -0.066 0.000 1.111 285 R CA 1.415 57.464 56.100 -0.085 0.000 0.976 285 R CB -0.173 30.059 30.300 -0.114 0.000 0.870 285 R HN 0.273 nan 8.270 nan 0.000 0.445 286 I N 0.414 120.948 120.570 -0.059 0.000 2.546 286 I HA -0.170 4.000 4.170 -0.000 0.000 0.255 286 I C 1.706 177.812 176.117 -0.019 0.000 1.163 286 I CA 1.143 62.422 61.300 -0.034 0.000 1.457 286 I CB -0.105 37.891 38.000 -0.006 0.000 1.092 286 I HN 0.279 nan 8.210 nan 0.000 0.434 287 E N 1.087 121.274 120.200 -0.021 0.000 2.076 287 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 287 E C 2.310 178.897 176.600 -0.022 0.000 0.979 287 E CA 0.971 57.361 56.400 -0.018 0.000 0.807 287 E CB -0.125 29.563 29.700 -0.021 0.000 0.761 287 E HN 0.436 nan 8.360 nan 0.000 0.454 288 A N 0.573 123.374 122.820 -0.031 0.000 2.186 288 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 288 A C 1.908 179.476 177.584 -0.025 0.000 1.159 288 A CA 1.354 53.373 52.037 -0.030 0.000 0.680 288 A CB -0.741 18.237 19.000 -0.038 0.000 0.787 288 A HN 0.411 nan 8.150 nan 0.000 0.467 289 G N -1.750 107.035 108.800 -0.024 0.000 2.176 289 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 289 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 289 G C 0.034 174.919 174.900 -0.024 0.000 0.979 289 G CA 0.122 45.209 45.100 -0.021 0.000 0.641 289 G HN 0.440 nan 8.290 nan 0.000 0.530 290 I N 3.144 123.696 120.570 -0.030 0.000 2.308 290 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 290 I C -1.150 174.944 176.117 -0.038 0.000 1.078 290 I CA -2.491 58.789 61.300 -0.033 0.000 1.292 290 I CB -0.116 37.862 38.000 -0.038 0.000 1.423 290 I HN 0.010 nan 8.210 nan 0.000 0.493 291 P HA 0.025 nan 4.420 nan 0.000 0.270 291 P C 0.668 177.944 177.300 -0.040 0.000 1.221 291 P CA -0.059 63.022 63.100 -0.032 0.000 0.788 291 P CB 1.298 32.984 31.700 -0.023 0.000 0.904 292 L N 0.263 121.461 121.223 -0.042 0.000 2.529 292 L HA 0.083 4.423 4.340 -0.000 0.000 0.223 292 L C 1.627 178.482 176.870 -0.025 0.000 1.113 292 L CA 0.738 55.551 54.840 -0.046 0.000 0.861 292 L CB -0.798 41.222 42.059 -0.064 0.000 1.012 292 L HN 0.504 nan 8.230 nan 0.000 0.461 293 N N -0.362 118.326 118.700 -0.020 0.000 2.273 293 N HA 0.180 4.920 4.740 -0.000 0.000 0.231 293 N C 0.083 175.578 175.510 -0.024 0.000 1.134 293 N CA -0.368 52.673 53.050 -0.015 0.000 0.856 293 N CB 0.630 39.113 38.487 -0.006 0.000 1.068 293 N HN 0.169 nan 8.380 nan 0.000 0.510 294 R N 0.513 120.997 120.500 -0.026 0.000 2.574 294 R HA 0.554 4.893 4.340 -0.000 0.000 0.288 294 R C -1.247 175.036 176.300 -0.028 0.000 1.004 294 R CA -0.635 55.450 56.100 -0.026 0.000 0.895 294 R CB 2.188 32.476 30.300 -0.021 0.000 1.191 294 R HN 0.164 nan 8.270 nan 0.000 0.444 295 A N 2.334 125.138 122.820 -0.027 0.000 2.279 295 A HA 0.736 5.056 4.320 -0.000 0.000 0.303 295 A C 0.102 177.676 177.584 -0.017 0.000 1.108 295 A CA -0.497 51.525 52.037 -0.024 0.000 0.830 295 A CB 0.869 19.854 19.000 -0.024 0.000 1.106 295 A HN 0.538 nan 8.150 nan 0.000 0.493 296 V N -1.216 118.689 119.914 -0.015 0.000 3.119 296 V HA 0.587 4.707 4.120 -0.000 0.000 0.309 296 V C -0.308 175.783 176.094 -0.005 0.000 1.304 296 V CA -1.016 61.278 62.300 -0.010 0.000 1.057 296 V CB 0.668 32.484 31.823 -0.013 0.000 1.150 296 V HN 0.843 nan 8.190 nan 0.000 0.474 297 E N 1.059 121.258 120.200 -0.002 0.000 2.299 297 E HA 0.448 4.798 4.350 -0.000 0.000 0.272 297 E C 0.793 177.397 176.600 0.005 0.000 1.043 297 E CA 0.652 57.054 56.400 0.003 0.000 0.895 297 E CB 0.626 30.328 29.700 0.004 0.000 1.011 297 E HN 1.540 nan 8.360 nan 0.000 0.432 298 G N 4.019 112.826 108.800 0.010 0.000 2.295 298 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.287 298 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.287 298 G C 0.499 175.405 174.900 0.010 0.000 1.055 298 G CA 0.287 45.396 45.100 0.015 0.000 0.922 298 G HN 0.644 nan 8.290 nan 0.000 0.503 299 D N -0.226 120.175 120.400 0.002 0.000 2.194 299 D HA 0.071 4.711 4.640 -0.000 0.000 0.204 299 D C 1.574 177.868 176.300 -0.009 0.000 0.964 299 D CA 0.910 54.904 54.000 -0.009 0.000 0.846 299 D CB -0.082 40.707 40.800 -0.018 0.000 0.962 299 D HN 0.831 nan 8.370 nan 0.000 0.490 300 I N 0.323 120.888 120.570 -0.008 0.000 7.932 300 I HA -0.235 3.934 4.170 -0.000 0.000 0.126 300 I C -0.002 176.084 176.117 -0.052 0.000 1.847 300 I CA -0.255 61.035 61.300 -0.015 0.000 2.038 300 I CB -0.834 37.167 38.000 0.002 0.000 3.738 300 I HN -0.135 nan 8.210 nan 0.000 0.169 301 V N 4.435 124.283 119.914 -0.109 0.000 3.229 301 V HA 0.958 5.078 4.120 -0.000 0.000 0.310 301 V C 0.246 176.132 176.094 -0.346 0.000 1.206 301 V CA 0.034 62.210 62.300 -0.207 0.000 1.051 301 V CB 2.057 33.715 31.823 -0.274 0.000 1.183 301 V HN 1.132 nan 8.190 nan 0.000 0.466 302 C N -0.614 118.433 119.300 -0.422 0.000 3.080 302 C HA 0.947 5.407 4.460 -0.000 0.000 0.307 302 C C -0.919 173.721 174.990 -0.583 0.000 1.311 302 C CA -0.726 58.042 59.018 -0.416 0.000 1.533 302 C CB 0.774 28.466 27.740 -0.079 0.000 1.970 302 C HN 0.870 nan 8.230 nan 0.000 0.467 303 F N 0.311 120.378 119.950 0.195 0.000 2.611 303 F HA 0.729 5.256 4.527 -0.000 0.000 0.324 303 F C 0.542 176.476 175.800 0.223 0.000 1.061 303 F CA -0.906 57.217 58.000 0.206 0.000 0.954 303 F CB 1.181 40.239 39.000 0.096 0.000 1.301 303 F HN 0.799 nan 8.300 nan 0.000 0.482 304 R N 0.476 121.238 120.500 0.437 0.000 2.389 304 R HA 0.245 4.585 4.340 -0.000 0.000 0.295 304 R C -0.243 176.170 176.300 0.189 0.000 1.075 304 R CA -0.542 55.721 56.100 0.271 0.000 1.005 304 R CB 0.056 30.517 30.300 0.269 0.000 0.987 304 R HN 0.661 nan 8.270 nan 0.000 0.452 305 N N 3.190 121.962 118.700 0.120 0.000 2.715 305 N HA -0.099 4.640 4.740 -0.000 0.000 0.254 305 N C -0.749 174.803 175.510 0.070 0.000 1.306 305 N CA -0.057 53.044 53.050 0.086 0.000 0.956 305 N CB -0.157 38.361 38.487 0.052 0.000 1.296 305 N HN 0.774 nan 8.380 nan 0.000 0.512 306 E N -2.175 118.075 120.200 0.083 0.000 2.660 306 E HA -0.165 4.185 4.350 -0.000 0.000 0.260 306 E C -0.217 176.422 176.600 0.066 0.000 1.122 306 E CA 0.815 57.256 56.400 0.068 0.000 0.755 306 E CB -2.157 27.571 29.700 0.047 0.000 1.345 306 E HN 0.488 nan 8.360 nan 0.000 0.421 307 V N -1.678 118.279 119.914 0.072 0.000 3.392 307 V HA 0.330 4.450 4.120 -0.000 0.000 0.294 307 V C 1.311 177.456 176.094 0.086 0.000 1.561 307 V CA 0.293 62.633 62.300 0.067 0.000 1.056 307 V CB 1.109 32.952 31.823 0.035 0.000 0.882 307 V HN 0.459 nan 8.190 nan 0.000 0.440 308 G N 1.528 110.394 108.800 0.110 0.000 2.160 308 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 308 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 308 G C -0.507 174.430 174.900 0.061 0.000 1.022 308 G CA 0.613 45.800 45.100 0.145 0.000 0.741 308 G HN 0.543 nan 8.290 nan 0.000 0.508 309 L N 0.826 122.060 121.223 0.019 0.000 2.408 309 L HA 0.812 5.152 4.340 -0.000 0.000 0.268 309 L C -2.383 174.444 176.870 -0.071 0.000 0.986 309 L CA -2.548 52.248 54.840 -0.074 0.000 0.820 309 L CB 2.113 44.115 42.059 -0.095 0.000 1.303 309 L HN -0.088 nan 8.230 nan 0.000 0.411 310 P HA 0.228 nan 4.420 nan 0.000 0.281 310 P C -1.689 175.540 177.300 -0.117 0.000 1.286 310 P CA -0.003 62.969 63.100 -0.213 0.000 0.772 310 P CB 0.728 32.062 31.700 -0.610 0.000 0.862 311 D N 1.286 121.669 120.400 -0.028 0.000 2.362 311 D HA 0.092 4.732 4.640 -0.000 0.000 0.247 311 D C 0.641 176.939 176.300 -0.004 0.000 1.050 311 D CA -0.990 52.999 54.000 -0.018 0.000 0.839 311 D CB 1.156 41.962 40.800 0.009 0.000 1.283 311 D HN 0.184 nan 8.370 nan 0.000 0.477 312 S N 0.833 116.523 115.700 -0.018 0.000 2.851 312 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 312 S C 0.886 175.486 174.600 0.000 0.000 0.958 312 S CA -0.171 58.020 58.200 -0.015 0.000 0.990 312 S CB -0.423 62.760 63.200 -0.028 0.000 0.790 312 S HN 0.353 nan 8.310 nan 0.000 0.509 313 S N 1.984 117.695 115.700 0.019 0.000 2.324 313 S HA 0.135 4.605 4.470 -0.000 0.000 0.210 313 S C 0.609 175.242 174.600 0.055 0.000 1.027 313 S CA 0.387 58.604 58.200 0.028 0.000 0.945 313 S CB -0.099 63.120 63.200 0.032 0.000 0.908 313 S HN 0.452 nan 8.310 nan 0.000 0.496 314 K N 3.968 124.426 120.400 0.098 0.000 2.219 314 K HA 0.246 4.566 4.320 -0.000 0.000 0.280 314 K C -0.699 176.032 176.600 0.218 0.000 1.104 314 K CA 0.045 56.426 56.287 0.157 0.000 0.925 314 K CB -0.143 32.470 32.500 0.189 0.000 1.261 314 K HN 0.433 nan 8.250 nan 0.000 0.445 315 T N -0.482 114.162 114.554 0.149 0.000 2.912 315 T HA 0.246 4.596 4.350 -0.000 0.000 0.326 315 T C -0.106 174.681 174.700 0.145 0.000 1.080 315 T CA -0.877 61.282 62.100 0.099 0.000 1.000 315 T CB 1.276 70.157 68.868 0.022 0.000 1.008 315 T HN 0.434 nan 8.240 nan 0.000 0.473 316 E N 2.601 122.966 120.200 0.275 0.000 2.313 316 E HA 0.236 4.585 4.350 -0.000 0.000 0.276 316 E C -0.327 176.346 176.600 0.122 0.000 1.031 316 E CA -0.717 55.839 56.400 0.259 0.000 0.857 316 E CB 0.777 30.763 29.700 0.476 0.000 1.040 316 E HN 0.564 nan 8.360 nan 0.000 0.408 317 K N 4.095 124.547 120.400 0.087 0.000 2.234 317 K HA 0.189 4.509 4.320 -0.000 0.000 0.277 317 K C -0.726 175.904 176.600 0.051 0.000 1.038 317 K CA -0.602 55.715 56.287 0.051 0.000 0.888 317 K CB 1.424 33.947 32.500 0.038 0.000 1.091 317 K HN 0.378 nan 8.250 nan 0.000 0.467 318 V N 4.725 124.661 119.914 0.037 0.000 2.686 318 V HA 0.262 4.382 4.120 -0.000 0.000 0.295 318 V C -0.084 176.025 176.094 0.025 0.000 1.055 318 V CA 0.441 62.761 62.300 0.034 0.000 1.050 318 V CB 1.019 32.854 31.823 0.020 0.000 0.984 318 V HN 1.055 nan 8.190 nan 0.000 0.482 319 T N 2.505 117.073 114.554 0.024 0.000 2.762 319 T HA 0.359 4.709 4.350 -0.000 0.000 0.272 319 T C 0.921 175.629 174.700 0.013 0.000 0.982 319 T CA 0.108 62.218 62.100 0.018 0.000 1.013 319 T CB 1.184 70.063 68.868 0.019 0.000 1.309 319 T HN 0.534 nan 8.240 nan 0.000 0.572 320 S N 0.873 116.580 115.700 0.011 0.000 2.507 320 S HA -0.048 4.421 4.470 -0.000 0.000 0.235 320 S C 1.755 176.360 174.600 0.008 0.000 0.988 320 S CA 0.904 59.109 58.200 0.008 0.000 0.944 320 S CB -0.358 62.847 63.200 0.007 0.000 0.762 320 S HN 0.795 nan 8.310 nan 0.000 0.526 321 E N 0.813 121.019 120.200 0.010 0.000 2.290 321 E HA -0.014 4.336 4.350 -0.000 0.000 0.199 321 E C 1.678 178.284 176.600 0.011 0.000 0.912 321 E CA 1.146 57.552 56.400 0.009 0.000 0.924 321 E CB -0.966 28.739 29.700 0.008 0.000 0.901 321 E HN 0.528 nan 8.360 nan 0.000 0.487 322 T N -0.425 114.138 114.554 0.015 0.000 3.113 322 T HA 0.082 4.431 4.350 -0.000 0.000 0.256 322 T C 1.914 176.626 174.700 0.020 0.000 1.131 322 T CA 0.603 62.715 62.100 0.020 0.000 1.074 322 T CB 0.046 68.933 68.868 0.031 0.000 0.944 322 T HN 0.020 nan 8.240 nan 0.000 0.516 323 V N 2.740 122.662 119.914 0.014 0.000 2.278 323 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 323 V C 2.123 178.221 176.094 0.006 0.000 1.062 323 V CA 2.582 64.888 62.300 0.009 0.000 1.038 323 V CB -0.919 30.907 31.823 0.005 0.000 0.646 323 V HN 0.482 nan 8.190 nan 0.000 0.447 324 N N 0.594 119.297 118.700 0.005 0.000 2.244 324 N HA 0.063 4.803 4.740 -0.000 0.000 0.183 324 N C 0.756 176.269 175.510 0.004 0.000 1.016 324 N CA 1.087 54.139 53.050 0.003 0.000 0.866 324 N CB -0.527 37.961 38.487 0.002 0.000 0.980 324 N HN 0.717 nan 8.380 nan 0.000 0.430 328 R N 1.442 121.934 120.500 -0.013 0.000 2.152 328 R HA 0.016 4.356 4.340 -0.000 0.000 0.232 328 R C 1.504 177.793 176.300 -0.019 0.000 1.117 328 R CA 0.939 57.032 56.100 -0.013 0.000 0.981 328 R CB -0.163 30.134 30.300 -0.006 0.000 0.870 328 R HN 0.264 nan 8.270 nan 0.000 0.451 329 L N 0.439 121.650 121.223 -0.019 0.000 2.209 329 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 329 L C 2.328 179.145 176.870 -0.089 0.000 1.094 329 L CA 0.966 55.789 54.840 -0.029 0.000 0.790 329 L CB -0.542 41.528 42.059 0.020 0.000 0.932 329 L HN 0.097 nan 8.230 nan 0.000 0.447 330 L N -0.580 120.578 121.223 -0.108 0.000 2.012 330 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 330 L C 2.245 179.045 176.870 -0.117 0.000 1.073 330 L CA 1.481 56.224 54.840 -0.163 0.000 0.748 330 L CB -0.498 41.491 42.059 -0.116 0.000 0.891 330 L HN 0.202 nan 8.230 nan 0.000 0.431 331 K N -0.464 119.898 120.400 -0.065 0.000 2.515 331 K HA -0.089 4.231 4.320 -0.000 0.000 0.196 331 K C 1.301 177.882 176.600 -0.031 0.000 1.038 331 K CA 0.592 56.857 56.287 -0.037 0.000 0.967 331 K CB 0.084 32.571 32.500 -0.022 0.000 0.780 331 K HN 0.155 nan 8.250 nan 0.000 0.483 332 L N -0.262 120.934 121.223 -0.045 0.000 2.693 332 L HA 0.218 4.558 4.340 -0.000 0.000 0.235 332 L C 0.435 177.284 176.870 -0.036 0.000 1.127 332 L CA 0.368 55.191 54.840 -0.028 0.000 0.914 332 L CB 0.512 42.558 42.059 -0.021 0.000 1.193 332 L HN 0.279 nan 8.230 nan 0.000 0.502 333 G N 0.798 109.547 108.800 -0.085 0.000 2.333 333 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.296 333 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.296 333 G C 0.947 175.768 174.900 -0.130 0.000 1.059 333 G CA 0.694 45.729 45.100 -0.109 0.000 1.050 333 G HN 0.380 nan 8.290 nan 0.000 0.508 334 R N -1.014 119.348 120.500 -0.229 0.000 2.541 334 R HA 0.584 4.924 4.340 -0.000 0.000 0.332 334 R C 0.621 176.850 176.300 -0.118 0.000 0.951 334 R CA 0.838 56.888 56.100 -0.083 0.000 1.136 334 R CB 0.548 30.862 30.300 0.024 0.000 1.449 334 R HN 1.088 nan 8.270 nan 0.000 0.531 335 A N 0.171 122.639 122.820 -0.586 0.000 2.606 335 A HA 0.710 5.030 4.320 -0.000 0.000 0.293 335 A C -1.735 175.188 177.584 -1.102 0.000 1.082 335 A CA -0.545 51.124 52.037 -0.612 0.000 0.685 335 A CB 1.117 19.966 19.000 -0.251 0.000 1.284 335 A HN 0.094 nan 8.150 nan 0.000 0.408 336 F N 0.765 120.616 119.950 -0.166 0.000 2.596 336 F HA 0.484 5.011 4.527 -0.000 0.000 0.311 336 F C -0.196 175.524 175.800 -0.133 0.000 1.116 336 F CA -0.887 57.045 58.000 -0.113 0.000 0.957 336 F CB 1.313 40.260 39.000 -0.089 0.000 1.250 336 F HN 0.311 nan 8.300 nan 0.000 0.444 337 I N 2.309 122.911 120.570 0.053 0.000 2.556 337 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 337 I C 0.679 176.809 176.117 0.022 0.000 1.114 337 I CA 0.203 61.504 61.300 0.001 0.000 1.418 337 I CB 0.664 38.654 38.000 -0.018 0.000 1.394 337 I HN 0.760 nan 8.210 nan 0.000 0.552 338 T N 2.973 117.528 114.554 0.002 0.000 2.942 338 T HA 0.890 5.240 4.350 -0.000 0.000 0.289 338 T C -0.448 174.262 174.700 0.017 0.000 1.044 338 T CA -0.792 61.322 62.100 0.023 0.000 1.023 338 T CB 2.323 71.200 68.868 0.015 0.000 1.123 338 T HN 0.720 nan 8.240 nan 0.000 0.512 339 A N 1.927 124.789 122.820 0.070 0.000 2.380 339 A HA 0.896 5.216 4.320 -0.000 0.000 0.315 339 A C -2.857 174.801 177.584 0.125 0.000 1.101 339 A CA -2.226 49.826 52.037 0.026 0.000 0.771 339 A CB 1.250 20.152 19.000 -0.163 0.000 1.287 339 A HN 0.766 nan 8.150 nan 0.000 0.436 340 P HA 0.323 nan 4.420 nan 0.000 0.279 340 P C -0.985 176.378 177.300 0.106 0.000 1.239 340 P CA -0.035 63.116 63.100 0.084 0.000 0.789 340 P CB 1.010 32.757 31.700 0.079 0.000 0.933 341 L N 5.253 126.490 121.223 0.023 0.000 2.504 341 L HA 0.295 4.634 4.340 -0.000 0.000 0.249 341 L C -1.915 174.828 176.870 -0.211 0.000 1.120 341 L CA -2.450 52.348 54.840 -0.070 0.000 0.997 341 L CB 1.065 43.040 42.059 -0.140 0.000 1.349 341 L HN 0.207 nan 8.230 nan 0.000 0.439 342 P HA -0.103 nan 4.420 nan 0.000 0.265 342 P C -0.038 176.621 177.300 -1.068 0.000 1.151 342 P CA 0.710 63.584 63.100 -0.378 0.000 0.755 342 P CB 1.141 32.743 31.700 -0.163 0.000 0.756 343 G N 2.040 110.335 108.800 -0.842 0.000 3.008 343 G HA2 0.355 4.315 3.960 -0.000 0.000 0.148 343 G HA3 0.355 4.315 3.960 -0.000 0.000 0.148 343 G C -0.884 173.911 174.900 -0.174 0.000 1.184 343 G CA -0.275 44.306 45.100 -0.865 0.000 1.087 343 G HN 0.473 nan 8.290 nan 0.000 0.602 344 Y N -0.573 119.694 120.300 -0.056 0.000 2.675 344 Y HA 0.535 5.085 4.550 -0.000 0.000 0.248 344 Y C 0.366 176.249 175.900 -0.029 0.000 1.161 344 Y CA -0.672 57.442 58.100 0.024 0.000 1.203 344 Y CB 0.161 38.673 38.460 0.087 0.000 1.262 344 Y HN 0.327 nan 8.280 nan 0.000 0.544 345 N N 0.862 119.470 118.700 -0.152 0.000 2.387 345 N HA 0.105 4.845 4.740 -0.000 0.000 0.259 345 N C -1.010 174.408 175.510 -0.153 0.000 1.369 345 N CA 0.233 53.211 53.050 -0.120 0.000 0.867 345 N CB 0.759 39.106 38.487 -0.234 0.000 1.341 345 N HN 0.176 nan 8.380 nan 0.000 0.495 346 T N 0.682 115.137 114.554 -0.166 0.000 2.889 346 T HA 0.147 4.497 4.350 -0.000 0.000 0.291 346 T C -0.009 174.531 174.700 -0.267 0.000 0.995 346 T CA -0.142 61.862 62.100 -0.159 0.000 1.092 346 T CB 2.005 70.841 68.868 -0.054 0.000 0.954 346 T HN 0.105 nan 8.240 nan 0.000 0.506 347 E N 3.073 123.177 120.200 -0.159 0.000 2.256 347 E HA 0.260 4.610 4.350 -0.000 0.000 0.243 347 E C -0.706 175.890 176.600 -0.007 0.000 0.925 347 E CA -0.668 55.632 56.400 -0.167 0.000 0.748 347 E CB 0.206 29.861 29.700 -0.076 0.000 1.206 347 E HN 0.346 nan 8.360 nan 0.000 0.428 348 F N 1.510 121.453 119.950 -0.012 0.000 2.626 348 F HA 0.120 4.646 4.527 -0.000 0.000 0.354 348 F C 1.213 177.006 175.800 -0.012 0.000 1.168 348 F CA -0.450 57.542 58.000 -0.014 0.000 1.368 348 F CB -0.051 38.945 39.000 -0.007 0.000 1.092 348 F HN 0.405 nan 8.300 nan 0.000 0.612 349 A N 1.578 124.509 122.820 0.185 0.000 2.249 349 A HA 0.637 4.957 4.320 -0.000 0.000 0.281 349 A C 0.011 177.645 177.584 0.082 0.000 1.127 349 A CA -0.331 51.760 52.037 0.090 0.000 0.833 349 A CB 0.198 19.225 19.000 0.045 0.000 1.140 349 A HN 0.659 nan 8.150 nan 0.000 0.502 350 S N -1.851 113.878 115.700 0.049 0.000 2.600 350 S HA 0.789 5.259 4.470 -0.000 0.000 0.300 350 S C 0.426 175.039 174.600 0.021 0.000 1.087 350 S CA 0.263 58.487 58.200 0.040 0.000 0.965 350 S CB 1.493 64.714 63.200 0.036 0.000 1.089 350 S HN 2.348 nan 8.310 nan 0.000 0.496 351 G N 1.195 110.006 108.800 0.017 0.000 2.527 351 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.227 351 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.227 351 G C 0.545 175.444 174.900 -0.001 0.000 1.291 351 G CA -0.042 45.062 45.100 0.007 0.000 0.904 351 G HN 0.614 nan 8.290 nan 0.000 0.577 352 I N 2.666 123.231 120.570 -0.008 0.000 2.127 352 I HA -0.107 4.063 4.170 -0.000 0.000 0.241 352 I C 0.584 176.686 176.117 -0.024 0.000 1.075 352 I CA 2.158 63.448 61.300 -0.016 0.000 1.334 352 I CB -1.111 36.879 38.000 -0.018 0.000 1.040 352 I HN 0.482 nan 8.210 nan 0.000 0.405 353 P HA -0.152 nan 4.420 nan 0.000 0.218 353 P C 1.607 178.886 177.300 -0.034 0.000 1.148 353 P CA 2.036 65.116 63.100 -0.034 0.000 0.822 353 P CB -0.270 31.413 31.700 -0.028 0.000 0.784 354 G N 0.386 109.178 108.800 -0.013 0.000 2.432 354 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 354 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 354 G C 1.579 176.456 174.900 -0.038 0.000 1.135 354 G CA 0.413 45.511 45.100 -0.002 0.000 0.767 354 G HN 0.293 nan 8.290 nan 0.000 0.550 355 E N -0.068 120.110 120.200 -0.036 0.000 2.106 355 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 355 E C 2.501 179.057 176.600 -0.073 0.000 0.984 355 E CA 0.488 56.860 56.400 -0.047 0.000 0.806 355 E CB -0.111 29.570 29.700 -0.032 0.000 0.750 355 E HN 0.494 nan 8.360 nan 0.000 0.458 356 I N 1.354 121.880 120.570 -0.074 0.000 2.179 356 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 356 I C 2.266 178.308 176.117 -0.126 0.000 1.088 356 I CA 1.262 62.508 61.300 -0.090 0.000 1.357 356 I CB -0.346 37.602 38.000 -0.086 0.000 1.051 356 I HN 0.096 nan 8.210 nan 0.000 0.409 357 E N 0.939 121.052 120.200 -0.144 0.000 2.058 357 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 357 E C 1.814 178.229 176.600 -0.309 0.000 0.997 357 E CA 1.238 57.511 56.400 -0.211 0.000 0.801 357 E CB -0.311 29.273 29.700 -0.193 0.000 0.746 357 E HN 0.511 nan 8.360 nan 0.000 0.450 358 N N 0.399 118.913 118.700 -0.310 0.000 2.381 358 N HA -0.079 4.661 4.740 -0.000 0.000 0.182 358 N C 1.807 177.205 175.510 -0.186 0.000 1.025 358 N CA 0.979 53.835 53.050 -0.323 0.000 0.888 358 N CB -0.035 38.322 38.487 -0.216 0.000 0.965 358 N HN 0.186 nan 8.380 nan 0.000 0.438 359 G N 0.015 108.731 108.800 -0.140 0.000 2.712 359 G HA2 0.001 3.961 3.960 -0.000 0.000 0.212 359 G HA3 0.001 3.961 3.960 -0.000 0.000 0.212 359 G C 1.584 176.428 174.900 -0.094 0.000 1.142 359 G CA 0.118 45.161 45.100 -0.095 0.000 0.789 359 G HN 0.135 nan 8.290 nan 0.000 0.535 360 V N 0.612 120.452 119.914 -0.124 0.000 2.685 360 V HA 0.084 4.204 4.120 -0.000 0.000 0.244 360 V C 2.658 178.698 176.094 -0.090 0.000 1.054 360 V CA 0.689 62.922 62.300 -0.111 0.000 1.076 360 V CB -0.107 31.632 31.823 -0.140 0.000 0.725 360 V HN 0.315 nan 8.190 nan 0.000 0.467 361 L N 0.014 121.163 121.223 -0.123 0.000 2.201 361 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 361 L C 2.424 179.278 176.870 -0.027 0.000 1.105 361 L CA 1.460 56.256 54.840 -0.074 0.000 0.775 361 L CB -0.618 41.352 42.059 -0.149 0.000 0.913 361 L HN 0.288 nan 8.230 nan 0.000 0.440 362 K N 1.181 121.552 120.400 -0.050 0.000 1.973 362 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 362 K C 2.125 178.726 176.600 0.002 0.000 1.045 362 K CA 1.761 58.036 56.287 -0.019 0.000 0.937 362 K CB -0.040 32.442 32.500 -0.031 0.000 0.721 362 K HN 0.449 nan 8.250 nan 0.000 0.438 363 E N 0.396 120.592 120.200 -0.007 0.000 2.160 363 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 363 E C 1.788 178.407 176.600 0.031 0.000 0.991 363 E CA 1.016 57.420 56.400 0.007 0.000 0.810 363 E CB -0.214 29.483 29.700 -0.005 0.000 0.742 363 E HN 0.163 nan 8.360 nan 0.000 0.466 364 L N 0.663 121.910 121.223 0.041 0.000 2.552 364 L HA 0.189 4.529 4.340 -0.000 0.000 0.227 364 L C 1.438 178.373 176.870 0.107 0.000 1.146 364 L CA 1.422 56.318 54.840 0.093 0.000 0.858 364 L CB -0.296 41.827 42.059 0.107 0.000 0.969 364 L HN 0.449 nan 8.230 nan 0.000 0.451 365 G N -0.359 108.485 108.800 0.074 0.000 2.258 365 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.274 365 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.274 365 G C 0.375 175.336 174.900 0.103 0.000 1.021 365 G CA 0.390 45.534 45.100 0.074 0.000 0.798 365 G HN 0.182 nan 8.290 nan 0.000 0.507 366 V N 0.597 120.588 119.914 0.127 0.000 2.775 366 V HA 0.586 4.706 4.120 -0.000 0.000 0.299 366 V C 0.867 177.065 176.094 0.173 0.000 1.062 366 V CA 0.379 62.788 62.300 0.181 0.000 1.063 366 V CB 1.657 33.604 31.823 0.206 0.000 0.994 366 V HN 1.082 nan 8.190 nan 0.000 0.483 367 S N 4.311 120.132 115.700 0.201 0.000 2.659 367 S HA 0.462 4.931 4.470 -0.000 0.000 0.312 367 S C 0.464 175.245 174.600 0.302 0.000 1.114 367 S CA -0.785 57.537 58.200 0.203 0.000 1.063 367 S CB 1.385 64.665 63.200 0.133 0.000 0.996 367 S HN 0.359 nan 8.310 nan 0.000 0.478 368 L N 2.285 123.710 121.223 0.336 0.000 2.079 368 L HA -0.110 4.229 4.340 -0.000 0.000 0.210 368 L C 2.173 179.250 176.870 0.346 0.000 1.081 368 L CA 1.892 56.964 54.840 0.386 0.000 0.752 368 L CB -1.587 40.645 42.059 0.288 0.000 0.896 368 L HN 0.782 nan 8.230 nan 0.000 0.433 369 E N -0.527 119.811 120.200 0.230 0.000 2.478 369 E HA -0.067 4.283 4.350 -0.000 0.000 0.198 369 E C 2.064 178.757 176.600 0.154 0.000 1.046 369 E CA 0.616 57.113 56.400 0.162 0.000 0.870 369 E CB -0.177 29.586 29.700 0.105 0.000 0.818 369 E HN 0.531 nan 8.360 nan 0.000 0.527 370 G N 0.206 109.113 108.800 0.178 0.000 2.603 370 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.214 370 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.214 370 G C 0.700 175.631 174.900 0.053 0.000 1.140 370 G CA -0.356 44.792 45.100 0.080 0.000 0.800 370 G HN 0.145 nan 8.290 nan 0.000 0.533 371 F N 1.189 121.240 119.950 0.168 0.000 2.703 371 F HA 0.231 4.758 4.527 -0.000 0.000 0.299 371 F C 0.320 176.261 175.800 0.234 0.000 1.229 371 F CA -0.008 58.109 58.000 0.195 0.000 1.430 371 F CB -0.007 39.119 39.000 0.211 0.000 1.053 371 F HN -0.016 nan 8.300 nan 0.000 0.513 372 N N 0.602 119.456 118.700 0.257 0.000 2.844 372 N HA 0.228 4.968 4.740 -0.000 0.000 0.268 372 N C -0.852 174.728 175.510 0.117 0.000 1.574 372 N CA -0.370 52.782 53.050 0.170 0.000 0.838 372 N CB 0.294 38.796 38.487 0.025 0.000 1.177 372 N HN -0.094 nan 8.380 nan 0.000 0.495 373 I N 1.244 121.896 120.570 0.136 0.000 2.943 373 I HA -0.171 3.999 4.170 -0.000 0.000 0.296 373 I C 1.670 177.879 176.117 0.153 0.000 1.220 373 I CA 0.709 62.104 61.300 0.158 0.000 1.409 373 I CB 0.204 38.322 38.000 0.197 0.000 1.374 373 I HN 0.469 nan 8.210 nan 0.000 0.545 374 E N 5.719 125.997 120.200 0.130 0.000 2.015 374 E HA -0.191 4.158 4.350 -0.000 0.000 0.191 374 E C 1.708 178.364 176.600 0.092 0.000 0.991 374 E CA 1.036 57.486 56.400 0.083 0.000 0.802 374 E CB -0.001 29.732 29.700 0.055 0.000 0.759 374 E HN 0.509 nan 8.360 nan 0.000 0.447 375 K N 0.275 120.731 120.400 0.093 0.000 2.063 375 K HA -0.107 4.212 4.320 -0.000 0.000 0.208 375 K C 0.768 177.585 176.600 0.362 0.000 1.048 375 K CA 1.142 57.485 56.287 0.094 0.000 0.928 375 K CB -0.281 32.065 32.500 -0.256 0.000 0.713 375 K HN 0.137 nan 8.250 nan 0.000 0.442 376 F N 1.843 121.822 119.950 0.049 0.000 2.550 376 F HA 0.157 4.684 4.527 -0.000 0.000 0.348 376 F C -1.527 174.299 175.800 0.045 0.000 1.219 376 F CA -2.138 55.902 58.000 0.067 0.000 1.203 376 F CB 1.702 40.742 39.000 0.067 0.000 1.436 376 F HN -0.093 nan 8.300 nan 0.000 0.541 377 P HA -0.173 nan 4.420 nan 0.000 0.215 377 P C 0.161 177.519 177.300 0.096 0.000 1.157 377 P CA 1.291 64.445 63.100 0.090 0.000 0.868 377 P CB 0.261 31.987 31.700 0.043 0.000 0.788 381 S N 0.922 116.772 115.700 0.250 0.000 2.681 381 S HA 0.689 5.159 4.470 -0.000 0.000 0.299 381 S C 0.651 175.162 174.600 -0.148 0.000 1.113 381 S CA -0.542 57.702 58.200 0.073 0.000 1.013 381 S CB 1.145 64.369 63.200 0.040 0.000 1.076 381 S HN 0.917 nan 8.310 nan 0.000 0.534 382 K N 1.261 121.311 120.400 -0.583 0.000 2.354 382 K HA 0.566 4.886 4.320 -0.000 0.000 0.194 382 K C 0.831 177.065 176.600 -0.611 0.000 1.038 382 K CA 0.359 55.919 56.287 -1.212 0.000 1.052 382 K CB -0.311 31.301 32.500 -1.480 0.000 0.861 382 K HN 0.999 nan 8.250 nan 0.000 0.535 383 G N -0.604 107.942 108.800 -0.423 0.000 2.619 383 G HA2 0.094 4.054 3.960 -0.000 0.000 0.686 383 G HA3 0.094 4.054 3.960 -0.000 0.000 0.686 383 G C -0.632 174.134 174.900 -0.223 0.000 1.256 383 G CA -0.417 44.474 45.100 -0.348 0.000 0.826 383 G HN 0.506 nan 8.290 nan 0.000 0.619 384 T N -1.500 112.952 114.554 -0.170 0.000 2.681 384 T HA 0.789 5.139 4.350 -0.000 0.000 0.296 384 T C -0.687 173.974 174.700 -0.065 0.000 1.157 384 T CA -0.177 61.860 62.100 -0.105 0.000 1.025 384 T CB 1.911 70.728 68.868 -0.085 0.000 1.441 384 T HN 1.207 nan 8.240 nan 0.000 0.504 385 R N 1.374 121.853 120.500 -0.036 0.000 2.721 385 R HA 0.397 4.737 4.340 -0.000 0.000 0.272 385 R C -0.367 175.937 176.300 0.007 0.000 1.721 385 R CA -0.670 55.431 56.100 0.003 0.000 1.325 385 R CB 0.483 30.783 30.300 0.000 0.000 1.271 385 R HN 0.428 nan 8.270 nan 0.000 0.556 386 R N 2.051 122.564 120.500 0.021 0.000 2.641 386 R HA 0.042 4.382 4.340 -0.000 0.000 0.269 386 R C 0.491 176.827 176.300 0.060 0.000 1.074 386 R CA -0.114 55.977 56.100 -0.016 0.000 1.133 386 R CB 0.734 30.940 30.300 -0.155 0.000 1.029 386 R HN 0.640 nan 8.270 nan 0.000 0.488 387 E N 1.346 121.531 120.200 -0.025 0.000 2.451 387 E HA -0.028 4.322 4.350 -0.000 0.000 0.256 387 E C 0.167 176.813 176.600 0.077 0.000 1.294 387 E CA -0.164 56.231 56.400 -0.009 0.000 1.005 387 E CB 0.396 30.017 29.700 -0.133 0.000 0.990 387 E HN 0.210 nan 8.360 nan 0.000 0.505 388 V N -0.440 119.496 119.914 0.036 0.000 2.911 388 V HA 0.057 4.177 4.120 -0.000 0.000 0.237 388 V C 0.753 176.808 176.094 -0.064 0.000 1.156 388 V CA 0.149 62.441 62.300 -0.012 0.000 1.180 388 V CB 0.025 31.804 31.823 -0.073 0.000 0.932 388 V HN 0.553 nan 8.190 nan 0.000 0.483 389 L N 0.853 122.060 121.223 -0.027 0.000 2.334 389 L HA 0.518 4.858 4.340 -0.000 0.000 0.277 389 L C -0.560 176.299 176.870 -0.019 0.000 1.075 389 L CA 0.049 54.873 54.840 -0.025 0.000 0.804 389 L CB 1.281 43.351 42.059 0.018 0.000 1.174 389 L HN 0.190 nan 8.230 nan 0.000 0.438 390 L N 4.317 125.523 121.223 -0.029 0.000 2.335 390 L HA 0.398 4.738 4.340 -0.000 0.000 0.268 390 L C -0.220 176.653 176.870 0.004 0.000 1.037 390 L CA -0.699 54.124 54.840 -0.028 0.000 0.895 390 L CB 0.668 42.702 42.059 -0.041 0.000 1.266 390 L HN 0.802 nan 8.230 nan 0.000 0.439 391 E N 3.654 123.876 120.200 0.038 0.000 2.900 391 E HA 0.125 4.475 4.350 -0.000 0.000 0.259 391 E C -1.093 175.541 176.600 0.057 0.000 0.918 391 E CA 0.604 57.046 56.400 0.069 0.000 0.960 391 E CB 0.417 30.185 29.700 0.114 0.000 0.908 391 E HN 0.351 nan 8.360 nan 0.000 0.511 392 V N 1.701 121.644 119.914 0.049 0.000 2.882 392 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 392 V C -0.786 175.341 176.094 0.053 0.000 1.273 392 V CA -0.969 61.350 62.300 0.032 0.000 0.949 392 V CB 1.746 33.519 31.823 -0.083 0.000 1.071 392 V HN 0.672 nan 8.190 nan 0.000 0.432 393 K N 4.892 125.348 120.400 0.093 0.000 2.842 393 K HA 0.498 4.818 4.320 -0.000 0.000 0.176 393 K C -2.391 174.294 176.600 0.141 0.000 1.080 393 K CA -1.356 54.994 56.287 0.106 0.000 0.954 393 K CB 1.288 33.847 32.500 0.097 0.000 1.203 393 K HN 0.766 nan 8.250 nan 0.000 0.611 394 P HA 0.057 nan 4.420 nan 0.000 0.271 394 P C -1.197 176.213 177.300 0.184 0.000 1.233 394 P CA -0.230 62.995 63.100 0.208 0.000 0.789 394 P CB 0.814 32.602 31.700 0.148 0.000 0.951 395 K N 1.388 121.875 120.400 0.145 0.000 2.604 395 K HA 0.313 4.632 4.320 -0.000 0.000 0.247 395 K C -0.159 176.435 176.600 -0.010 0.000 0.956 395 K CA -0.500 55.788 56.287 0.003 0.000 0.896 395 K CB 0.716 33.196 32.500 -0.034 0.000 1.131 395 K HN 0.392 nan 8.250 nan 0.000 0.440 396 F N 0.386 120.374 119.950 0.063 0.000 2.375 396 F HA 0.637 5.164 4.527 -0.000 0.000 0.313 396 F C 0.056 175.878 175.800 0.037 0.000 1.176 396 F CA -0.749 57.278 58.000 0.045 0.000 1.142 396 F CB 0.740 39.799 39.000 0.099 0.000 1.275 396 F HN 0.355 nan 8.300 nan 0.000 0.544 397 E N 1.065 121.413 120.200 0.247 0.000 2.428 397 E HA 0.577 4.927 4.350 -0.000 0.000 0.307 397 E C -1.604 175.105 176.600 0.181 0.000 0.902 397 E CA -0.408 56.076 56.400 0.140 0.000 0.799 397 E CB 1.032 30.753 29.700 0.034 0.000 1.351 397 E HN 1.065 nan 8.360 nan 0.000 0.392 398 A N 2.539 125.482 122.820 0.205 0.000 2.261 398 A HA 1.059 5.379 4.320 -0.000 0.000 0.323 398 A C 0.516 178.154 177.584 0.090 0.000 1.107 398 A CA -0.010 52.111 52.037 0.139 0.000 0.883 398 A CB 1.165 20.246 19.000 0.135 0.000 1.251 398 A HN 1.051 nan 8.150 nan 0.000 0.502 399 G N -1.071 107.769 108.800 0.067 0.000 2.327 399 G HA2 0.410 4.370 3.960 -0.000 0.000 0.291 399 G HA3 0.410 4.370 3.960 -0.000 0.000 0.291 399 G C -1.404 173.519 174.900 0.039 0.000 1.290 399 G CA -0.260 44.869 45.100 0.049 0.000 0.857 399 G HN 0.882 nan 8.290 nan 0.000 0.520 400 E N 0.492 120.711 120.200 0.032 0.000 2.227 400 E HA 0.426 4.776 4.350 -0.000 0.000 0.282 400 E C -0.909 175.707 176.600 0.027 0.000 1.015 400 E CA -0.666 55.750 56.400 0.027 0.000 0.823 400 E CB 0.890 30.604 29.700 0.023 0.000 1.081 400 E HN 0.492 nan 8.360 nan 0.000 0.396 401 D N 3.969 124.385 120.400 0.026 0.000 2.329 401 D HA 0.054 4.694 4.640 -0.000 0.000 0.232 401 D C 0.203 176.517 176.300 0.023 0.000 1.088 401 D CA -0.399 53.617 54.000 0.026 0.000 0.835 401 D CB 1.601 42.419 40.800 0.030 0.000 1.078 401 D HN 0.387 nan 8.370 nan 0.000 0.495 402 E N 2.003 122.216 120.200 0.022 0.000 2.033 402 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 402 E C 1.802 178.413 176.600 0.019 0.000 1.011 402 E CA 1.026 57.437 56.400 0.019 0.000 0.815 402 E CB -0.460 29.251 29.700 0.018 0.000 0.755 402 E HN 0.401 nan 8.360 nan 0.000 0.451 403 L N 0.702 121.938 121.223 0.021 0.000 2.197 403 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 403 L C 0.251 177.133 176.870 0.020 0.000 1.095 403 L CA 1.346 56.199 54.840 0.021 0.000 0.764 403 L CB -0.449 41.624 42.059 0.025 0.000 0.897 403 L HN 0.126 nan 8.230 nan 0.000 0.436 404 N N 0.011 118.723 118.700 0.020 0.000 2.716 404 N HA 0.234 4.974 4.740 -0.000 0.000 0.253 404 N C -2.610 172.910 175.510 0.017 0.000 1.170 404 N CA -1.136 51.926 53.050 0.019 0.000 0.807 404 N CB 1.304 39.803 38.487 0.021 0.000 1.183 404 N HN -0.051 nan 8.380 nan 0.000 0.524 405 P HA 0.059 nan 4.420 nan 0.000 0.267 405 P C 0.912 178.219 177.300 0.013 0.000 1.209 405 P CA 0.916 64.024 63.100 0.014 0.000 0.763 405 P CB 0.874 32.581 31.700 0.012 0.000 0.816 406 G N 2.562 111.369 108.800 0.013 0.000 2.254 406 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.225 406 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.225 406 G C 0.164 175.071 174.900 0.013 0.000 1.003 406 G CA -0.194 44.913 45.100 0.012 0.000 0.622 406 G HN 0.552 nan 8.290 nan 0.000 0.507 407 K N 0.828 121.237 120.400 0.015 0.000 2.168 407 K HA 0.810 5.130 4.320 -0.000 0.000 0.239 407 K C 0.039 176.651 176.600 0.020 0.000 0.999 407 K CA -0.308 55.989 56.287 0.017 0.000 0.900 407 K CB 1.448 33.959 32.500 0.018 0.000 1.111 407 K HN 0.207 nan 8.250 nan 0.000 0.452 408 S N 0.052 115.766 115.700 0.023 0.000 2.739 408 S HA 0.539 5.009 4.470 -0.000 0.000 0.306 408 S C -0.468 174.152 174.600 0.034 0.000 1.115 408 S CA -0.915 57.302 58.200 0.028 0.000 0.985 408 S CB 1.556 64.772 63.200 0.028 0.000 1.133 408 S HN 0.555 nan 8.310 nan 0.000 0.541 409 K N -0.891 119.533 120.400 0.040 0.000 2.482 409 K HA 0.866 5.186 4.320 -0.000 0.000 0.257 409 K C -1.609 175.025 176.600 0.056 0.000 0.969 409 K CA -1.145 55.169 56.287 0.045 0.000 0.842 409 K CB 1.961 34.486 32.500 0.042 0.000 1.359 409 K HN 0.596 nan 8.250 nan 0.000 0.441 410 A N 1.366 124.222 122.820 0.059 0.000 2.374 410 A HA 0.539 4.859 4.320 -0.000 0.000 0.305 410 A C -1.153 176.464 177.584 0.055 0.000 1.053 410 A CA -0.835 51.247 52.037 0.074 0.000 0.726 410 A CB 1.724 20.773 19.000 0.082 0.000 1.229 410 A HN 0.394 nan 8.150 nan 0.000 0.431 411 V N 4.147 124.098 119.914 0.061 0.000 2.259 411 V HA 0.223 4.343 4.120 -0.000 0.000 0.267 411 V C -0.217 175.887 176.094 0.017 0.000 1.051 411 V CA -0.010 62.304 62.300 0.024 0.000 0.830 411 V CB 0.256 32.089 31.823 0.017 0.000 1.080 411 V HN 0.727 nan 8.190 nan 0.000 0.467 412 L N 5.881 127.092 121.223 -0.020 0.000 2.283 412 L HA 0.418 4.758 4.340 -0.000 0.000 0.287 412 L C 0.524 177.378 176.870 -0.027 0.000 1.073 412 L CA 0.095 54.922 54.840 -0.021 0.000 0.822 412 L CB 0.582 42.583 42.059 -0.097 0.000 1.186 412 L HN 0.714 nan 8.230 nan 0.000 0.436 413 E N 4.799 125.012 120.200 0.022 0.000 2.185 413 E HA 0.594 4.943 4.350 -0.000 0.000 0.261 413 E C -1.086 175.559 176.600 0.075 0.000 0.879 413 E CA -0.682 55.676 56.400 -0.071 0.000 0.756 413 E CB 1.473 31.135 29.700 -0.062 0.000 1.152 413 E HN 0.360 nan 8.360 nan 0.000 0.416 417 P HA 0.313 nan 4.420 nan 0.000 0.284 417 P C -1.299 175.889 177.300 -0.187 0.000 1.258 417 P CA -0.779 62.220 63.100 -0.169 0.000 0.824 417 P CB 0.925 32.463 31.700 -0.270 0.000 1.038 418 K N 0.765 121.013 120.400 -0.254 0.000 2.504 418 K HA 0.250 4.569 4.320 -0.000 0.000 0.278 418 K C 0.942 177.411 176.600 -0.218 0.000 1.025 418 K CA 0.477 56.644 56.287 -0.201 0.000 1.093 418 K CB -1.048 31.337 32.500 -0.192 0.000 0.873 418 K HN 0.775 nan 8.250 nan 0.000 0.483 419 G N 1.688 110.343 108.800 -0.242 0.000 2.253 419 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.209 419 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.209 419 G C -0.019 174.651 174.900 -0.383 0.000 0.997 419 G CA 0.004 44.939 45.100 -0.274 0.000 0.640 419 G HN 1.010 nan 8.290 nan 0.000 0.496 420 S N -0.152 115.351 115.700 -0.328 0.000 2.651 420 S HA 0.829 5.299 4.470 -0.000 0.000 0.291 420 S C -0.647 173.750 174.600 -0.340 0.000 1.141 420 S CA -0.765 57.279 58.200 -0.260 0.000 1.027 420 S CB 1.916 65.066 63.200 -0.082 0.000 1.043 420 S HN 0.434 nan 8.310 nan 0.000 0.530 421 Y N -0.286 120.051 120.300 0.061 0.000 2.429 421 Y HA 0.647 5.197 4.550 -0.000 0.000 0.342 421 Y C 1.212 177.129 175.900 0.028 0.000 1.004 421 Y CA -0.800 57.348 58.100 0.080 0.000 1.075 421 Y CB 1.652 40.154 38.460 0.070 0.000 1.214 421 Y HN 0.846 nan 8.280 nan 0.000 0.455 422 A N 0.551 123.437 122.820 0.110 0.000 1.969 422 A HA -0.158 4.161 4.320 -0.000 0.000 0.218 422 A C 2.098 179.750 177.584 0.114 0.000 1.169 422 A CA 2.072 54.074 52.037 -0.058 0.000 0.635 422 A CB -1.251 17.492 19.000 -0.428 0.000 0.810 422 A HN 0.923 nan 8.150 nan 0.000 0.445 423 T N -2.838 111.815 114.554 0.165 0.000 2.803 423 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 423 T C 1.690 176.470 174.700 0.134 0.000 1.052 423 T CA 2.065 64.253 62.100 0.147 0.000 1.136 423 T CB -1.068 67.869 68.868 0.115 0.000 0.864 423 T HN 0.323 nan 8.240 nan 0.000 0.467 424 T N 1.279 115.915 114.554 0.136 0.000 2.929 424 T HA 0.023 4.373 4.350 -0.000 0.000 0.271 424 T C 1.972 176.720 174.700 0.081 0.000 1.085 424 T CA 0.931 63.107 62.100 0.126 0.000 1.125 424 T CB -0.321 68.619 68.868 0.121 0.000 0.874 424 T HN 0.319 nan 8.240 nan 0.000 0.494 425 V N 0.709 120.627 119.914 0.006 0.000 2.575 425 V HA 0.110 4.230 4.120 -0.000 0.000 0.242 425 V C 2.343 178.483 176.094 0.077 0.000 1.045 425 V CA 0.786 63.022 62.300 -0.107 0.000 1.065 425 V CB -0.395 31.041 31.823 -0.645 0.000 0.717 425 V HN 0.401 nan 8.190 nan 0.000 0.467 426 L N -0.045 121.246 121.223 0.112 0.000 2.046 426 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 426 L C 2.715 179.716 176.870 0.218 0.000 1.077 426 L CA 1.717 56.665 54.840 0.179 0.000 0.747 426 L CB -0.624 41.536 42.059 0.169 0.000 0.896 426 L HN 0.268 nan 8.230 nan 0.000 0.432 427 R N 0.278 120.892 120.500 0.190 0.000 2.103 427 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 427 R C 2.059 178.503 176.300 0.239 0.000 1.142 427 R CA 1.580 57.809 56.100 0.215 0.000 0.960 427 R CB -0.023 30.395 30.300 0.196 0.000 0.858 427 R HN 0.328 nan 8.270 nan 0.000 0.439 428 E N -0.622 119.704 120.200 0.210 0.000 2.347 428 E HA -0.100 4.249 4.350 -0.000 0.000 0.196 428 E C 0.105 176.646 176.600 -0.100 0.000 1.008 428 E CA 0.752 57.205 56.400 0.089 0.000 0.852 428 E CB -0.056 29.667 29.700 0.037 0.000 0.783 428 E HN 0.331 nan 8.360 nan 0.000 0.505 432 V N -3.070 116.908 119.914 0.105 0.000 3.158 432 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 432 V C -0.050 176.098 176.094 0.089 0.000 1.181 432 V CA -1.302 61.047 62.300 0.082 0.000 1.054 432 V CB 1.796 33.652 31.823 0.054 0.000 1.085 432 V HN 0.339 nan 8.190 nan 0.000 0.446 433 N N 2.647 121.383 118.700 0.060 0.000 2.412 433 N HA 0.112 4.852 4.740 -0.000 0.000 0.258 433 N C -1.370 174.169 175.510 0.049 0.000 1.236 433 N CA -0.573 52.504 53.050 0.045 0.000 0.882 433 N CB 1.554 40.058 38.487 0.028 0.000 1.066 433 N HN 0.654 nan 8.380 nan 0.000 0.465 434 P HA -0.114 nan 4.420 nan 0.000 0.223 434 P C 1.248 178.574 177.300 0.044 0.000 1.144 434 P CA 1.059 64.188 63.100 0.049 0.000 0.783 434 P CB 0.378 32.104 31.700 0.043 0.000 0.771 435 L N -1.560 119.684 121.223 0.036 0.000 2.354 435 L HA 0.096 4.435 4.340 -0.000 0.000 0.212 435 L C 2.085 178.972 176.870 0.029 0.000 1.091 435 L CA 0.284 55.143 54.840 0.031 0.000 0.828 435 L CB -0.497 41.577 42.059 0.025 0.000 0.973 435 L HN 0.090 nan 8.230 nan 0.000 0.461 436 Q N 0.000 119.819 119.800 0.032 0.000 2.315 436 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 436 Q CA 0.000 55.822 55.803 0.032 0.000 1.022 436 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 436 Q HN 0.000 nan 8.270 nan 0.000 0.481