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 1nva_1_A DATA FIRST_RESID 4 DATA SEQUENCE PTKISILGRE SIIADFGLWR NYVAKDLISD CSSTTYVLVT DTNIGSIYTP DATA SEQUENCE SFEEAFRKRA AEITPSPRLL IYNRPPGEVS KSRQTKADIE DWMLSQNPPC DATA SEQUENCE GRDTVVIALG GGVIGDLTGF VASTYMRGVR YVQVPTTLLA MVDSSIGGKT DATA SEQUENCE AIDTPLGKNL IGAIWQPTKI YIDLEFLETL PVREFINGMA EVIKTAAISS DATA SEQUENCE EEEFTALEEN AETILKAVRR EVTPGEHRFE GTEEILKARI LASARHKAYV DATA SEQUENCE VSAXXXXGGL RNLLNWGHSI GHAIEAILTP QILHGECVAI GMVKEAELAR DATA SEQUENCE HLGILKGVAV SRIVKCLAAY GLPTSLKDAR IRKLTAGKHC SVDQLMFNMA DATA SEQUENCE LDXXXXXPKK KIVLLSAIGT PYETRASVVA NEDIRVVLA 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.271 177.300 -0.048 0.000 1.155 4 P CA 0.000 63.057 63.100 -0.072 0.000 0.800 4 P CB 0.000 31.592 31.700 -0.180 0.000 0.726 5 T N 1.607 116.127 114.554 -0.058 0.000 2.767 5 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 5 T C -0.277 174.396 174.700 -0.045 0.000 0.973 5 T CA -0.516 61.560 62.100 -0.040 0.000 0.996 5 T CB 0.815 69.661 68.868 -0.037 0.000 0.927 5 T HN 0.226 nan 8.240 nan 0.000 0.456 6 K N 3.429 123.812 120.400 -0.027 0.000 2.206 6 K HA 0.577 4.897 4.320 -0.000 0.000 0.264 6 K C -0.686 175.900 176.600 -0.022 0.000 0.967 6 K CA -0.635 55.636 56.287 -0.026 0.000 0.844 6 K CB 1.911 34.405 32.500 -0.009 0.000 1.099 6 K HN 0.496 nan 8.250 nan 0.000 0.441 7 I N 1.906 122.458 120.570 -0.030 0.000 2.420 7 I HA 0.082 4.252 4.170 -0.000 0.000 0.282 7 I C 0.132 176.233 176.117 -0.027 0.000 1.019 7 I CA -0.552 60.734 61.300 -0.022 0.000 1.130 7 I CB 1.821 39.808 38.000 -0.023 0.000 1.262 7 I HN 0.545 nan 8.210 nan 0.000 0.454 8 S N 6.993 122.683 115.700 -0.017 0.000 2.562 8 S HA 0.454 4.924 4.470 -0.000 0.000 0.281 8 S C -0.412 174.171 174.600 -0.028 0.000 1.333 8 S CA -0.113 58.072 58.200 -0.024 0.000 1.052 8 S CB 0.506 63.698 63.200 -0.013 0.000 0.884 8 S HN 0.547 nan 8.310 nan 0.000 0.506 9 I N 5.238 125.779 120.570 -0.048 0.000 2.548 9 I HA 0.348 4.518 4.170 -0.000 0.000 0.287 9 I C -0.835 175.240 176.117 -0.070 0.000 1.103 9 I CA -0.772 60.493 61.300 -0.059 0.000 1.049 9 I CB 1.154 39.113 38.000 -0.068 0.000 1.232 9 I HN 0.735 nan 8.210 nan 0.000 0.429 10 L N 7.496 128.673 121.223 -0.076 0.000 4.089 10 L HA -0.159 4.181 4.340 -0.000 0.000 0.408 10 L C 0.783 177.614 176.870 -0.067 0.000 1.184 10 L CA 1.532 56.324 54.840 -0.079 0.000 0.947 10 L CB -1.608 40.402 42.059 -0.082 0.000 2.066 10 L HN 1.153 nan 8.230 nan 0.000 0.851 11 G N -0.484 108.282 108.800 -0.056 0.000 2.137 11 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.237 11 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.237 11 G C 0.262 175.137 174.900 -0.042 0.000 1.002 11 G CA 0.466 45.540 45.100 -0.044 0.000 0.702 11 G HN 0.941 nan 8.290 nan 0.000 0.515 12 R N -2.047 118.424 120.500 -0.047 0.000 2.680 12 R HA 0.653 4.993 4.340 -0.000 0.000 0.269 12 R C 0.230 176.500 176.300 -0.049 0.000 1.026 12 R CA -0.859 55.212 56.100 -0.048 0.000 0.889 12 R CB 0.759 31.022 30.300 -0.061 0.000 1.241 12 R HN -0.076 nan 8.270 nan 0.000 0.463 13 E N 0.629 120.805 120.200 -0.041 0.000 2.455 13 E HA -0.176 4.174 4.350 -0.000 0.000 0.202 13 E C 1.340 177.902 176.600 -0.062 0.000 1.045 13 E CA 1.361 57.738 56.400 -0.038 0.000 0.872 13 E CB -0.110 29.580 29.700 -0.017 0.000 0.792 13 E HN 0.676 nan 8.360 nan 0.000 0.542 14 S N -0.170 115.477 115.700 -0.089 0.000 2.642 14 S HA -0.298 4.172 4.470 -0.000 0.000 0.330 14 S C 0.738 175.243 174.600 -0.159 0.000 1.309 14 S CA 1.327 59.447 58.200 -0.133 0.000 1.141 14 S CB -0.366 62.751 63.200 -0.138 0.000 1.210 14 S HN 0.338 nan 8.310 nan 0.000 0.440 15 I N 2.211 122.710 120.570 -0.119 0.000 2.395 15 I HA 0.287 4.457 4.170 -0.000 0.000 0.289 15 I C -0.538 175.523 176.117 -0.092 0.000 1.023 15 I CA -0.421 60.809 61.300 -0.117 0.000 1.350 15 I CB 1.222 39.172 38.000 -0.083 0.000 1.409 15 I HN 0.220 nan 8.210 nan 0.000 0.507 16 I N 6.294 126.806 120.570 -0.096 0.000 2.439 16 I HA 0.508 4.678 4.170 -0.000 0.000 0.283 16 I C -0.066 176.016 176.117 -0.059 0.000 1.023 16 I CA -0.591 60.670 61.300 -0.065 0.000 1.100 16 I CB 1.251 39.251 38.000 0.001 0.000 1.238 16 I HN 0.522 nan 8.210 nan 0.000 0.445 17 A N 4.592 127.358 122.820 -0.089 0.000 2.330 17 A HA 0.854 5.174 4.320 -0.000 0.000 0.313 17 A C -0.914 176.593 177.584 -0.128 0.000 1.124 17 A CA -0.225 51.752 52.037 -0.100 0.000 0.774 17 A CB 1.805 20.746 19.000 -0.098 0.000 1.198 17 A HN 0.702 nan 8.150 nan 0.000 0.465 18 D N 0.349 120.655 120.400 -0.157 0.000 2.808 18 D HA 0.407 5.047 4.640 -0.000 0.000 0.294 18 D C -1.473 174.719 176.300 -0.180 0.000 1.278 18 D CA -0.368 53.548 54.000 -0.141 0.000 0.756 18 D CB 0.440 41.186 40.800 -0.090 0.000 1.271 18 D HN 0.260 nan 8.370 nan 0.000 0.425 19 F N 0.803 120.712 119.950 -0.069 0.000 2.389 19 F HA 0.462 4.989 4.527 -0.000 0.000 0.337 19 F C 1.904 177.669 175.800 -0.058 0.000 1.112 19 F CA 1.217 59.168 58.000 -0.082 0.000 1.192 19 F CB 1.490 40.423 39.000 -0.111 0.000 1.185 19 F HN 0.589 nan 8.300 nan 0.000 0.552 20 G N 2.469 111.364 108.800 0.158 0.000 2.166 20 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 20 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 20 G C 1.096 176.060 174.900 0.107 0.000 0.986 20 G CA 0.595 45.767 45.100 0.119 0.000 0.683 20 G HN 0.659 nan 8.290 nan 0.000 0.527 21 L N -1.261 120.007 121.223 0.075 0.000 2.042 21 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 21 L C 2.641 179.617 176.870 0.177 0.000 1.076 21 L CA 2.117 57.024 54.840 0.112 0.000 0.749 21 L CB -0.327 41.784 42.059 0.086 0.000 0.893 21 L HN 0.614 nan 8.230 nan 0.000 0.432 22 W N 1.204 122.473 121.300 -0.052 0.000 2.421 22 W HA -0.164 4.496 4.660 -0.000 0.000 0.270 22 W C 2.291 178.885 176.519 0.126 0.000 1.233 22 W CA 1.164 58.507 57.345 -0.003 0.000 1.226 22 W CB 0.040 29.400 29.460 -0.165 0.000 1.121 22 W HN 0.177 nan 8.180 nan 0.000 0.579 23 R N -0.648 119.946 120.500 0.156 0.000 2.087 23 R HA -0.012 4.328 4.340 -0.000 0.000 0.216 23 R C 1.518 177.843 176.300 0.042 0.000 1.114 23 R CA 1.136 57.293 56.100 0.095 0.000 1.002 23 R CB -0.322 30.064 30.300 0.144 0.000 0.903 23 R HN 0.087 nan 8.270 nan 0.000 0.445 24 N N -1.105 117.643 118.700 0.080 0.000 2.227 24 N HA -0.019 4.721 4.740 -0.000 0.000 0.196 24 N C 0.623 176.192 175.510 0.098 0.000 1.142 24 N CA 0.475 53.567 53.050 0.070 0.000 0.887 24 N CB 0.477 39.021 38.487 0.095 0.000 1.022 24 N HN 0.166 nan 8.380 nan 0.000 0.500 25 Y N 1.382 121.662 120.300 -0.032 0.000 2.624 25 Y HA 0.125 4.675 4.550 -0.000 0.000 0.260 25 Y C 2.198 178.032 175.900 -0.110 0.000 1.090 25 Y CA 0.364 58.440 58.100 -0.039 0.000 1.347 25 Y CB -0.369 38.098 38.460 0.011 0.000 1.349 25 Y HN -0.310 nan 8.280 nan 0.000 0.502 26 V N 1.490 121.400 119.914 -0.006 0.000 2.241 26 V HA -0.516 3.604 4.120 -0.000 0.000 0.256 26 V C 2.520 178.541 176.094 -0.120 0.000 1.060 26 V CA 2.727 64.825 62.300 -0.337 0.000 1.065 26 V CB -1.859 29.747 31.823 -0.360 0.000 0.685 26 V HN 0.616 nan 8.190 nan 0.000 0.467 27 A N -0.095 122.722 122.820 -0.005 0.000 1.881 27 A HA -0.401 3.919 4.320 -0.000 0.000 0.219 27 A C 2.299 179.761 177.584 -0.204 0.000 1.215 27 A CA 3.167 55.120 52.037 -0.139 0.000 0.648 27 A CB -0.795 17.958 19.000 -0.413 0.000 0.832 27 A HN 0.678 nan 8.150 nan 0.000 0.455 28 K N -0.517 119.744 120.400 -0.231 0.000 2.000 28 K HA -0.308 4.012 4.320 -0.000 0.000 0.218 28 K C 1.805 178.274 176.600 -0.219 0.000 1.053 28 K CA 2.429 58.569 56.287 -0.245 0.000 0.946 28 K CB -0.560 31.783 32.500 -0.261 0.000 0.723 28 K HN 0.400 nan 8.250 nan 0.000 0.446 29 D N 0.209 120.439 120.400 -0.282 0.000 2.182 29 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 29 D C 2.086 178.417 176.300 0.052 0.000 0.986 29 D CA 1.009 54.908 54.000 -0.168 0.000 0.847 29 D CB 0.037 40.728 40.800 -0.181 0.000 0.942 29 D HN 0.304 nan 8.370 nan 0.000 0.467 30 L N 0.043 121.326 121.223 0.100 0.000 2.056 30 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 30 L C 2.216 179.208 176.870 0.203 0.000 1.078 30 L CA 0.436 55.425 54.840 0.248 0.000 0.749 30 L CB -0.262 41.974 42.059 0.295 0.000 0.901 30 L HN 0.211 nan 8.230 nan 0.000 0.433 31 I N -0.277 120.288 120.570 -0.008 0.000 2.493 31 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 31 I C 2.634 178.769 176.117 0.030 0.000 1.160 31 I CA 1.680 62.962 61.300 -0.029 0.000 1.445 31 I CB -0.749 37.130 38.000 -0.201 0.000 1.086 31 I HN 0.371 nan 8.210 nan 0.000 0.433 32 S N -0.779 114.925 115.700 0.007 0.000 2.475 32 S HA 0.006 4.476 4.470 -0.000 0.000 0.224 32 S C 1.367 175.993 174.600 0.042 0.000 1.042 32 S CA 0.293 58.497 58.200 0.008 0.000 0.935 32 S CB 0.059 63.239 63.200 -0.034 0.000 0.801 32 S HN 0.237 nan 8.310 nan 0.000 0.509 33 D N -0.087 120.355 120.400 0.069 0.000 2.392 33 D HA 0.295 4.935 4.640 -0.000 0.000 0.206 33 D C -0.134 176.228 176.300 0.104 0.000 1.046 33 D CA 0.212 54.259 54.000 0.079 0.000 0.865 33 D CB 0.552 41.402 40.800 0.084 0.000 0.969 33 D HN 0.373 nan 8.370 nan 0.000 0.509 34 C N 1.005 120.402 119.300 0.163 0.000 2.814 34 C HA 0.370 4.830 4.460 -0.000 0.000 0.242 34 C C 0.485 175.603 174.990 0.213 0.000 1.704 34 C CA -1.072 58.053 59.018 0.179 0.000 1.608 34 C CB -1.325 26.565 27.740 0.249 0.000 2.939 34 C HN 0.122 nan 8.230 nan 0.000 0.512 35 S N 1.747 117.543 115.700 0.160 0.000 2.642 35 S HA 0.248 4.718 4.470 -0.000 0.000 0.308 35 S C 0.113 174.789 174.600 0.127 0.000 1.255 35 S CA 1.229 59.525 58.200 0.159 0.000 1.057 35 S CB 0.202 63.456 63.200 0.089 0.000 0.785 35 S HN 0.831 nan 8.310 nan 0.000 0.500 36 S N 1.763 117.576 115.700 0.188 0.000 2.627 36 S HA 0.478 4.948 4.470 -0.000 0.000 0.268 36 S C 0.447 175.166 174.600 0.199 0.000 1.130 36 S CA 0.028 58.267 58.200 0.065 0.000 0.819 36 S CB 0.769 63.809 63.200 -0.267 0.000 1.100 36 S HN 1.035 nan 8.310 nan 0.000 0.465 37 T N -0.882 113.739 114.554 0.112 0.000 3.001 37 T HA 0.368 4.718 4.350 -0.000 0.000 0.251 37 T C 0.223 175.036 174.700 0.187 0.000 1.040 37 T CA 0.299 62.494 62.100 0.157 0.000 0.985 37 T CB 0.041 68.961 68.868 0.088 0.000 1.011 37 T HN 0.515 nan 8.240 nan 0.000 0.509 38 T N 1.884 116.497 114.554 0.098 0.000 2.949 38 T HA 0.531 4.881 4.350 -0.000 0.000 0.300 38 T C -2.005 172.678 174.700 -0.029 0.000 0.988 38 T CA -0.472 61.681 62.100 0.089 0.000 0.993 38 T CB 1.016 69.888 68.868 0.006 0.000 0.984 38 T HN 0.181 nan 8.240 nan 0.000 0.442 39 Y N 1.590 121.945 120.300 0.092 0.000 2.328 39 Y HA 0.562 5.112 4.550 -0.000 0.000 0.336 39 Y C -0.155 175.787 175.900 0.070 0.000 0.960 39 Y CA -1.109 57.054 58.100 0.105 0.000 1.134 39 Y CB 1.534 40.081 38.460 0.145 0.000 1.166 39 Y HN 0.333 nan 8.280 nan 0.000 0.464 40 V N 5.578 125.612 119.914 0.199 0.000 2.313 40 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 40 V C -0.433 175.804 176.094 0.238 0.000 1.017 40 V CA -0.831 61.599 62.300 0.216 0.000 0.823 40 V CB 1.379 33.298 31.823 0.160 0.000 1.010 40 V HN 0.564 nan 8.190 nan 0.000 0.443 41 L N 7.084 128.459 121.223 0.255 0.000 2.305 41 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 41 L C -0.574 176.408 176.870 0.187 0.000 1.085 41 L CA 0.303 55.278 54.840 0.225 0.000 0.813 41 L CB 1.662 43.870 42.059 0.249 0.000 1.157 41 L HN 0.427 nan 8.230 nan 0.000 0.436 42 V N 4.605 124.601 119.914 0.136 0.000 2.604 42 V HA 0.740 4.860 4.120 -0.000 0.000 0.305 42 V C 0.032 176.163 176.094 0.062 0.000 1.043 42 V CA -0.405 61.955 62.300 0.098 0.000 0.888 42 V CB 1.906 33.749 31.823 0.034 0.000 0.995 42 V HN 0.957 nan 8.190 nan 0.000 0.429 43 T N 1.970 116.563 114.554 0.065 0.000 2.775 43 T HA 0.409 4.759 4.350 -0.000 0.000 0.320 43 T C -1.890 172.824 174.700 0.025 0.000 1.597 43 T CA -0.521 61.590 62.100 0.019 0.000 1.022 43 T CB 1.805 70.676 68.868 0.004 0.000 1.485 43 T HN 0.939 nan 8.240 nan 0.000 0.494 44 D N 0.075 120.477 120.400 0.002 0.000 2.387 44 D HA 0.326 4.966 4.640 -0.000 0.000 0.251 44 D C 1.606 177.908 176.300 0.004 0.000 1.141 44 D CA 0.232 54.235 54.000 0.004 0.000 0.987 44 D CB 0.491 41.291 40.800 -0.000 0.000 1.116 44 D HN 0.595 nan 8.370 nan 0.000 0.491 45 T N -2.197 112.355 114.554 -0.004 0.000 3.051 45 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 45 T C 1.038 175.746 174.700 0.014 0.000 1.127 45 T CA 0.889 62.987 62.100 -0.003 0.000 1.107 45 T CB -0.469 68.389 68.868 -0.016 0.000 0.898 45 T HN 0.293 nan 8.240 nan 0.000 0.517 46 N N 1.424 120.135 118.700 0.019 0.000 2.132 46 N HA 0.152 4.892 4.740 -0.000 0.000 0.187 46 N C 1.717 177.263 175.510 0.059 0.000 1.038 46 N CA 1.181 54.250 53.050 0.032 0.000 0.846 46 N CB -0.361 38.144 38.487 0.030 0.000 1.012 46 N HN 0.534 nan 8.380 nan 0.000 0.429 47 I N -0.160 120.450 120.570 0.067 0.000 2.546 47 I HA 0.126 4.296 4.170 -0.000 0.000 0.255 47 I C 1.772 177.995 176.117 0.177 0.000 1.163 47 I CA 1.217 62.600 61.300 0.138 0.000 1.457 47 I CB -0.568 37.447 38.000 0.025 0.000 1.092 47 I HN 0.070 nan 8.210 nan 0.000 0.434 48 G N 0.731 109.590 108.800 0.099 0.000 2.414 48 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.215 48 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.215 48 G C 1.692 176.666 174.900 0.123 0.000 1.188 48 G CA 1.047 46.219 45.100 0.121 0.000 0.783 48 G HN 0.575 nan 8.290 nan 0.000 0.537 49 S N 0.564 116.306 115.700 0.069 0.000 2.440 49 S HA -0.086 4.384 4.470 -0.000 0.000 0.240 49 S C 2.202 176.812 174.600 0.016 0.000 1.014 49 S CA 1.343 59.569 58.200 0.044 0.000 0.980 49 S CB -0.315 62.898 63.200 0.021 0.000 0.775 49 S HN 0.402 nan 8.310 nan 0.000 0.499 50 I N -1.291 119.268 120.570 -0.018 0.000 2.585 50 I HA 0.060 4.230 4.170 -0.000 0.000 0.254 50 I C 1.664 177.585 176.117 -0.328 0.000 1.129 50 I CA 0.937 62.102 61.300 -0.225 0.000 1.455 50 I CB -0.049 37.715 38.000 -0.393 0.000 1.111 50 I HN 0.236 nan 8.210 nan 0.000 0.433 51 Y N -0.126 120.276 120.300 0.170 0.000 2.444 51 Y HA 0.010 4.560 4.550 -0.000 0.000 0.252 51 Y C 2.704 178.926 175.900 0.536 0.000 1.091 51 Y CA 0.606 58.888 58.100 0.302 0.000 1.276 51 Y CB -0.396 38.112 38.460 0.081 0.000 1.170 51 Y HN 0.103 nan 8.280 nan 0.000 0.517 52 T N -2.005 112.845 114.554 0.493 0.000 2.777 52 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 52 T C -0.586 174.366 174.700 0.421 0.000 1.040 52 T CA 0.908 63.313 62.100 0.508 0.000 1.141 52 T CB -1.423 67.638 68.868 0.320 0.000 0.868 52 T HN 0.071 nan 8.240 nan 0.000 0.444 53 P HA -0.150 nan 4.420 nan 0.000 0.214 53 P C 2.253 179.674 177.300 0.201 0.000 1.163 53 P CA 2.045 65.263 63.100 0.197 0.000 0.889 53 P CB -0.340 31.442 31.700 0.136 0.000 0.790 54 S N -1.769 114.083 115.700 0.255 0.000 2.400 54 S HA -0.207 4.263 4.470 -0.000 0.000 0.232 54 S C 1.922 176.615 174.600 0.156 0.000 1.025 54 S CA 1.010 59.336 58.200 0.209 0.000 0.993 54 S CB -1.644 61.724 63.200 0.280 0.000 0.808 54 S HN 0.019 nan 8.310 nan 0.000 0.478 55 F N 2.480 122.458 119.950 0.047 0.000 2.187 55 F HA 0.170 4.697 4.527 -0.000 0.000 0.295 55 F C 2.320 178.092 175.800 -0.047 0.000 1.091 55 F CA 1.242 59.127 58.000 -0.191 0.000 1.308 55 F CB -0.449 38.365 39.000 -0.309 0.000 1.030 55 F HN 0.199 nan 8.300 nan 0.000 0.487 56 E N -0.203 120.034 120.200 0.062 0.000 2.097 56 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 56 E C 2.015 178.593 176.600 -0.037 0.000 1.000 56 E CA 1.581 57.977 56.400 -0.007 0.000 0.804 56 E CB -0.246 29.500 29.700 0.076 0.000 0.740 56 E HN 0.332 nan 8.360 nan 0.000 0.454 57 E N 0.971 121.155 120.200 -0.027 0.000 2.017 57 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 57 E C 1.938 178.467 176.600 -0.118 0.000 0.997 57 E CA 1.526 57.901 56.400 -0.042 0.000 0.804 57 E CB -0.421 29.272 29.700 -0.011 0.000 0.757 57 E HN 0.207 nan 8.360 nan 0.000 0.448 58 A N -0.128 122.585 122.820 -0.180 0.000 1.986 58 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 58 A C 2.270 179.636 177.584 -0.363 0.000 1.171 58 A CA 1.679 53.562 52.037 -0.257 0.000 0.640 58 A CB -1.012 17.816 19.000 -0.287 0.000 0.811 58 A HN 0.463 nan 8.150 nan 0.000 0.451 59 F N 0.163 119.726 119.950 -0.645 0.000 2.084 59 F HA -0.098 4.429 4.527 -0.000 0.000 0.296 59 F C 2.418 178.004 175.800 -0.357 0.000 1.111 59 F CA 1.780 59.399 58.000 -0.634 0.000 1.224 59 F CB -0.284 38.273 39.000 -0.739 0.000 0.991 59 F HN 0.089 nan 8.300 nan 0.000 0.471 60 R N 0.512 120.929 120.500 -0.138 0.000 2.103 60 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 60 R C 2.270 178.431 176.300 -0.231 0.000 1.142 60 R CA 2.029 58.042 56.100 -0.145 0.000 0.960 60 R CB -0.367 29.913 30.300 -0.035 0.000 0.858 60 R HN 0.323 nan 8.270 nan 0.000 0.439 61 K N -0.306 119.966 120.400 -0.212 0.000 2.063 61 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 61 K C 2.201 178.657 176.600 -0.239 0.000 1.048 61 K CA 1.040 57.214 56.287 -0.188 0.000 0.928 61 K CB -0.048 32.360 32.500 -0.154 0.000 0.713 61 K HN 0.012 nan 8.250 nan 0.000 0.442 62 R N 0.200 120.495 120.500 -0.342 0.000 2.093 62 R HA 0.043 4.383 4.340 -0.000 0.000 0.224 62 R C 2.130 178.190 176.300 -0.400 0.000 1.101 62 R CA 1.148 57.033 56.100 -0.359 0.000 0.979 62 R CB -0.514 29.538 30.300 -0.413 0.000 0.877 62 R HN 0.201 nan 8.270 nan 0.000 0.441 63 A N 0.735 123.215 122.820 -0.567 0.000 2.014 63 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 63 A C 2.280 179.710 177.584 -0.257 0.000 1.163 63 A CA 1.416 53.158 52.037 -0.492 0.000 0.652 63 A CB -0.391 18.199 19.000 -0.683 0.000 0.808 63 A HN 0.297 nan 8.150 nan 0.000 0.449 64 A N 0.353 123.043 122.820 -0.216 0.000 1.940 64 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 64 A C 1.814 179.333 177.584 -0.109 0.000 1.176 64 A CA 1.707 53.665 52.037 -0.132 0.000 0.631 64 A CB -0.504 18.429 19.000 -0.113 0.000 0.814 64 A HN 0.655 nan 8.150 nan 0.000 0.446 65 E N -1.300 118.824 120.200 -0.126 0.000 2.347 65 E HA 0.042 4.392 4.350 -0.000 0.000 0.196 65 E C -0.549 176.000 176.600 -0.085 0.000 1.008 65 E CA 0.043 56.384 56.400 -0.097 0.000 0.852 65 E CB 0.004 29.642 29.700 -0.103 0.000 0.783 65 E HN 0.536 nan 8.360 nan 0.000 0.505 66 I N 0.182 120.692 120.570 -0.099 0.000 2.460 66 I HA 0.185 4.355 4.170 -0.000 0.000 0.298 66 I C -0.055 176.031 176.117 -0.050 0.000 0.989 66 I CA -0.281 60.977 61.300 -0.071 0.000 1.173 66 I CB 2.191 40.143 38.000 -0.080 0.000 1.338 66 I HN -0.295 nan 8.210 nan 0.000 0.456 67 T N 5.822 120.359 114.554 -0.028 0.000 2.971 67 T HA 0.659 5.009 4.350 -0.000 0.000 0.304 67 T C -2.514 172.185 174.700 -0.001 0.000 1.038 67 T CA -1.151 60.941 62.100 -0.014 0.000 1.007 67 T CB 0.959 69.817 68.868 -0.016 0.000 1.055 67 T HN 0.545 nan 8.240 nan 0.000 0.451 68 P HA 0.355 nan 4.420 nan 0.000 0.272 68 P C -0.590 176.718 177.300 0.013 0.000 1.240 68 P CA -0.493 62.614 63.100 0.011 0.000 0.791 68 P CB 0.478 32.191 31.700 0.020 0.000 0.978 69 S N 1.958 117.665 115.700 0.012 0.000 2.510 69 S HA 0.245 4.715 4.470 -0.000 0.000 0.279 69 S C -2.055 172.585 174.600 0.066 0.000 1.284 69 S CA -0.564 57.641 58.200 0.008 0.000 1.059 69 S CB -0.344 62.855 63.200 -0.002 0.000 0.901 69 S HN 0.384 nan 8.310 nan 0.000 0.491 70 P HA 0.145 nan 4.420 nan 0.000 0.268 70 P C -0.209 177.311 177.300 0.367 0.000 1.204 70 P CA -0.352 62.889 63.100 0.235 0.000 0.768 70 P CB 0.394 32.245 31.700 0.251 0.000 0.842 71 R N 2.586 123.284 120.500 0.329 0.000 2.457 71 R HA 0.619 4.959 4.340 -0.000 0.000 0.284 71 R C -0.976 175.436 176.300 0.186 0.000 1.024 71 R CA -0.905 55.351 56.100 0.259 0.000 1.025 71 R CB 0.442 30.825 30.300 0.137 0.000 1.063 71 R HN 0.264 nan 8.270 nan 0.000 0.493 72 L N 3.994 125.175 121.223 -0.069 0.000 2.318 72 L HA 0.387 4.727 4.340 -0.000 0.000 0.277 72 L C -1.330 175.505 176.870 -0.059 0.000 1.008 72 L CA -0.617 54.006 54.840 -0.362 0.000 0.846 72 L CB 1.246 42.624 42.059 -1.135 0.000 1.220 72 L HN 0.654 nan 8.230 nan 0.000 0.423 73 L N 5.866 127.135 121.223 0.077 0.000 2.325 73 L HA 0.573 4.913 4.340 -0.000 0.000 0.279 73 L C -0.401 176.695 176.870 0.377 0.000 1.054 73 L CA -0.500 54.481 54.840 0.236 0.000 0.804 73 L CB 1.491 43.648 42.059 0.163 0.000 1.200 73 L HN 0.499 nan 8.230 nan 0.000 0.436 74 I N 2.112 122.932 120.570 0.417 0.000 2.509 74 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 74 I C -1.315 174.810 176.117 0.012 0.000 1.020 74 I CA -0.780 60.669 61.300 0.249 0.000 1.088 74 I CB 2.145 40.235 38.000 0.151 0.000 1.267 74 I HN 0.425 nan 8.210 nan 0.000 0.430 75 Y N 5.047 125.199 120.300 -0.248 0.000 2.338 75 Y HA 0.467 5.017 4.550 -0.000 0.000 0.333 75 Y C -1.206 174.530 175.900 -0.274 0.000 0.968 75 Y CA -0.902 56.862 58.100 -0.560 0.000 1.123 75 Y CB 1.527 39.528 38.460 -0.765 0.000 1.165 75 Y HN 0.540 nan 8.280 nan 0.000 0.452 76 N N 4.462 122.880 118.700 -0.469 0.000 2.372 76 N HA 0.570 5.310 4.740 -0.000 0.000 0.285 76 N C -1.382 173.993 175.510 -0.225 0.000 1.008 76 N CA -0.944 51.984 53.050 -0.202 0.000 0.880 76 N CB 1.619 40.006 38.487 -0.167 0.000 1.239 76 N HN 0.462 nan 8.380 nan 0.000 0.484 77 R N 1.824 122.324 120.500 0.001 0.000 2.854 77 R HA 0.611 4.951 4.340 -0.000 0.000 0.271 77 R C -2.697 173.606 176.300 0.005 0.000 0.996 77 R CA -2.326 53.800 56.100 0.043 0.000 0.961 77 R CB 1.053 31.457 30.300 0.173 0.000 1.182 77 R HN 0.375 nan 8.270 nan 0.000 0.479 78 P HA 0.101 nan 4.420 nan 0.000 0.269 78 P C -2.526 174.776 177.300 0.004 0.000 1.209 78 P CA -0.808 62.290 63.100 -0.004 0.000 0.776 78 P CB 0.161 31.860 31.700 -0.003 0.000 0.876 79 P HA 0.204 nan 4.420 nan 0.000 0.274 79 P C 0.354 177.655 177.300 0.002 0.000 1.260 79 P CA 0.689 63.791 63.100 0.002 0.000 0.793 79 P CB 0.084 31.786 31.700 0.004 0.000 1.048 80 G N 0.469 109.270 108.800 0.000 0.000 2.699 80 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 80 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 80 G C 0.411 175.310 174.900 -0.003 0.000 1.301 80 G CA 0.085 45.185 45.100 0.000 0.000 0.816 80 G HN 0.691 nan 8.290 nan 0.000 0.595 81 E N -0.382 119.815 120.200 -0.005 0.000 2.485 81 E HA 0.145 4.495 4.350 -0.000 0.000 0.194 81 E C 1.832 178.428 176.600 -0.006 0.000 1.098 81 E CA 0.670 57.064 56.400 -0.009 0.000 0.878 81 E CB 0.513 30.203 29.700 -0.016 0.000 0.939 81 E HN 0.946 nan 8.360 nan 0.000 0.503 82 V N 0.281 120.195 119.914 -0.001 0.000 3.041 82 V HA -0.119 4.001 4.120 -0.000 0.000 0.260 82 V C 1.568 177.666 176.094 0.007 0.000 1.105 82 V CA 1.607 63.908 62.300 0.002 0.000 1.125 82 V CB -0.062 31.764 31.823 0.004 0.000 0.730 82 V HN 0.323 nan 8.190 nan 0.000 0.479 83 S N -0.617 115.088 115.700 0.008 0.000 2.528 83 S HA 0.086 4.556 4.470 -0.000 0.000 0.219 83 S C 1.281 175.885 174.600 0.008 0.000 0.985 83 S CA 0.099 58.307 58.200 0.014 0.000 0.914 83 S CB -0.131 63.081 63.200 0.019 0.000 0.776 83 S HN 0.563 nan 8.310 nan 0.000 0.526 84 K N 3.353 123.755 120.400 0.003 0.000 2.737 84 K HA 0.119 4.439 4.320 -0.000 0.000 0.251 84 K C -0.433 176.173 176.600 0.011 0.000 1.280 84 K CA -0.236 56.054 56.287 0.005 0.000 1.219 84 K CB -0.307 32.188 32.500 -0.009 0.000 1.587 84 K HN 0.361 nan 8.250 nan 0.000 0.279 85 S N -0.787 114.924 115.700 0.019 0.000 2.632 85 S HA 0.384 4.854 4.470 -0.000 0.000 0.289 85 S C 0.738 175.359 174.600 0.035 0.000 1.115 85 S CA -1.091 57.122 58.200 0.022 0.000 0.889 85 S CB 1.727 64.936 63.200 0.015 0.000 1.116 85 S HN 0.385 nan 8.310 nan 0.000 0.486 86 R N 0.355 120.878 120.500 0.037 0.000 2.091 86 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 86 R C 2.414 178.727 176.300 0.020 0.000 1.136 86 R CA 1.886 58.010 56.100 0.041 0.000 0.959 86 R CB -0.482 29.839 30.300 0.034 0.000 0.856 86 R HN 0.833 nan 8.270 nan 0.000 0.437 87 Q N 0.124 119.935 119.800 0.019 0.000 2.030 87 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 87 Q C 1.708 177.719 176.000 0.018 0.000 0.986 87 Q CA 2.285 58.099 55.803 0.019 0.000 0.843 87 Q CB -0.041 28.710 28.738 0.022 0.000 0.904 87 Q HN 0.254 nan 8.270 nan 0.000 0.420 88 T N 0.858 115.420 114.554 0.014 0.000 2.746 88 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 88 T C 1.661 176.323 174.700 -0.063 0.000 1.039 88 T CA 1.585 63.685 62.100 0.001 0.000 1.142 88 T CB -0.185 68.685 68.868 0.003 0.000 0.866 88 T HN 0.310 nan 8.240 nan 0.000 0.444 89 K N 0.960 121.328 120.400 -0.055 0.000 2.032 89 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 89 K C 2.513 179.064 176.600 -0.082 0.000 1.048 89 K CA 1.346 57.576 56.287 -0.095 0.000 0.927 89 K CB -0.362 32.095 32.500 -0.072 0.000 0.712 89 K HN 0.263 nan 8.250 nan 0.000 0.441 90 A N 1.607 124.404 122.820 -0.038 0.000 1.908 90 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 90 A C 1.945 179.543 177.584 0.024 0.000 1.181 90 A CA 2.044 54.074 52.037 -0.011 0.000 0.627 90 A CB -0.792 18.210 19.000 0.004 0.000 0.818 90 A HN 0.476 nan 8.150 nan 0.000 0.445 91 D N -0.047 120.373 120.400 0.033 0.000 2.108 91 D HA -0.165 4.475 4.640 -0.000 0.000 0.190 91 D C 1.928 178.302 176.300 0.124 0.000 0.995 91 D CA 1.775 55.837 54.000 0.104 0.000 0.834 91 D CB -0.284 40.599 40.800 0.140 0.000 0.967 91 D HN 0.483 nan 8.370 nan 0.000 0.446 92 I N 1.252 121.742 120.570 -0.133 0.000 2.236 92 I HA -0.278 3.892 4.170 -0.000 0.000 0.249 92 I C 2.300 178.470 176.117 0.089 0.000 1.102 92 I CA 1.182 62.323 61.300 -0.266 0.000 1.365 92 I CB -0.285 37.364 38.000 -0.586 0.000 1.051 92 I HN 0.102 nan 8.210 nan 0.000 0.420 93 E N 0.602 120.839 120.200 0.061 0.000 2.046 93 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 93 E C 1.740 178.468 176.600 0.213 0.000 0.982 93 E CA 1.234 57.735 56.400 0.168 0.000 0.800 93 E CB -0.115 29.651 29.700 0.110 0.000 0.756 93 E HN 0.481 nan 8.360 nan 0.000 0.449 94 D N 0.247 120.746 120.400 0.166 0.000 2.144 94 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 94 D C 1.560 177.980 176.300 0.200 0.000 0.978 94 D CA 0.662 54.753 54.000 0.152 0.000 0.833 94 D CB -0.364 40.512 40.800 0.126 0.000 0.961 94 D HN 0.265 nan 8.370 nan 0.000 0.470 95 W N 1.380 122.733 121.300 0.088 0.000 2.358 95 W HA -0.130 4.529 4.660 -0.000 0.000 0.303 95 W C 2.233 178.804 176.519 0.086 0.000 1.208 95 W CA 1.295 58.707 57.345 0.112 0.000 1.274 95 W CB -0.353 29.237 29.460 0.217 0.000 1.138 95 W HN -0.154 nan 8.180 nan 0.000 0.515 96 M N 0.034 119.609 119.600 -0.042 0.000 2.175 96 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 96 M C 2.043 178.268 176.300 -0.126 0.000 1.063 96 M CA 1.575 56.689 55.300 -0.310 0.000 1.119 96 M CB -0.601 31.840 32.600 -0.265 0.000 1.377 96 M HN 0.034 nan 8.290 nan 0.000 0.415 97 L N -1.273 119.987 121.223 0.060 0.000 2.313 97 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 97 L C 2.121 178.977 176.870 -0.024 0.000 1.119 97 L CA 0.544 55.423 54.840 0.064 0.000 0.809 97 L CB -0.386 41.714 42.059 0.069 0.000 0.933 97 L HN 0.171 nan 8.230 nan 0.000 0.449 98 S N -1.353 114.309 115.700 -0.064 0.000 2.562 98 S HA 0.026 4.496 4.470 -0.000 0.000 0.221 98 S C 0.891 175.412 174.600 -0.131 0.000 0.975 98 S CA 0.056 58.215 58.200 -0.068 0.000 0.918 98 S CB -0.033 63.156 63.200 -0.019 0.000 0.772 98 S HN 0.294 nan 8.310 nan 0.000 0.531 99 Q N 1.943 121.603 119.800 -0.234 0.000 2.492 99 Q HA 0.164 4.504 4.340 -0.000 0.000 0.238 99 Q C -0.049 175.880 176.000 -0.118 0.000 1.045 99 Q CA 0.409 56.069 55.803 -0.238 0.000 0.934 99 Q CB 0.197 28.725 28.738 -0.350 0.000 1.276 99 Q HN 0.362 nan 8.270 nan 0.000 0.521 100 N N 1.609 120.257 118.700 -0.086 0.000 2.531 100 N HA 0.303 5.043 4.740 -0.000 0.000 0.268 100 N C -2.264 173.228 175.510 -0.029 0.000 1.023 100 N CA -1.158 51.865 53.050 -0.044 0.000 0.896 100 N CB 1.196 39.667 38.487 -0.027 0.000 1.233 100 N HN 0.335 nan 8.380 nan 0.000 0.512 101 P HA 0.367 nan 4.420 nan 0.000 0.274 101 P C -2.866 174.411 177.300 -0.038 0.000 1.246 101 P CA -1.040 62.047 63.100 -0.022 0.000 0.795 101 P CB 0.227 31.923 31.700 -0.008 0.000 1.006 102 P HA -0.006 nan 4.420 nan 0.000 0.268 102 P C -0.247 177.047 177.300 -0.009 0.000 1.208 102 P CA -0.026 63.056 63.100 -0.030 0.000 0.777 102 P CB 0.162 31.858 31.700 -0.007 0.000 0.875 103 C N 2.959 122.255 119.300 -0.007 0.000 2.648 103 C HA 0.429 4.889 4.460 -0.000 0.000 0.415 103 C C 1.453 176.529 174.990 0.143 0.000 1.366 103 C CA 0.061 59.084 59.018 0.009 0.000 1.756 103 C CB -0.724 26.946 27.740 -0.117 0.000 2.549 103 C HN 0.651 nan 8.230 nan 0.000 0.597 104 G N 2.248 111.102 108.800 0.091 0.000 2.531 104 G HA2 0.374 4.334 3.960 -0.000 0.000 0.313 104 G HA3 0.374 4.334 3.960 -0.000 0.000 0.313 104 G C 0.623 175.602 174.900 0.131 0.000 1.238 104 G CA -0.744 44.418 45.100 0.104 0.000 0.994 104 G HN 0.779 nan 8.290 nan 0.000 0.493 105 R N -0.182 120.376 120.500 0.097 0.000 2.303 105 R HA -0.088 4.252 4.340 -0.000 0.000 0.225 105 R C 1.497 177.846 176.300 0.081 0.000 1.114 105 R CA 1.346 57.506 56.100 0.100 0.000 1.007 105 R CB 0.081 30.416 30.300 0.059 0.000 0.861 105 R HN 0.706 nan 8.270 nan 0.000 0.471 106 D N -0.368 120.061 120.400 0.050 0.000 2.348 106 D HA -0.053 4.587 4.640 -0.000 0.000 0.211 106 D C 0.100 176.382 176.300 -0.030 0.000 0.998 106 D CA 0.185 54.195 54.000 0.017 0.000 0.873 106 D CB -0.197 40.609 40.800 0.010 0.000 0.925 106 D HN -0.174 nan 8.370 nan 0.000 0.524 107 T N 0.817 115.361 114.554 -0.016 0.000 2.923 107 T HA 0.147 4.497 4.350 -0.000 0.000 0.304 107 T C 0.120 174.767 174.700 -0.088 0.000 1.044 107 T CA 0.002 62.056 62.100 -0.077 0.000 1.141 107 T CB 1.515 70.342 68.868 -0.067 0.000 1.023 107 T HN -0.081 nan 8.240 nan 0.000 0.533 108 V N 4.690 124.483 119.914 -0.201 0.000 2.378 108 V HA 0.303 4.423 4.120 -0.000 0.000 0.288 108 V C 0.125 176.245 176.094 0.043 0.000 1.016 108 V CA -0.795 61.439 62.300 -0.110 0.000 0.840 108 V CB 1.681 33.310 31.823 -0.324 0.000 0.994 108 V HN 0.705 nan 8.190 nan 0.000 0.431 109 V N 6.037 126.043 119.914 0.154 0.000 2.509 109 V HA 0.433 4.553 4.120 -0.000 0.000 0.284 109 V C 0.010 176.273 176.094 0.282 0.000 1.047 109 V CA -0.488 61.926 62.300 0.191 0.000 0.952 109 V CB 1.648 33.556 31.823 0.141 0.000 0.988 109 V HN 0.576 nan 8.190 nan 0.000 0.469 110 I N 4.090 124.817 120.570 0.262 0.000 2.328 110 I HA 0.434 4.604 4.170 -0.000 0.000 0.287 110 I C 0.584 176.825 176.117 0.207 0.000 1.012 110 I CA -0.456 61.006 61.300 0.270 0.000 1.195 110 I CB 1.086 39.250 38.000 0.273 0.000 1.350 110 I HN 0.674 nan 8.210 nan 0.000 0.464 111 A N 7.520 130.469 122.820 0.215 0.000 2.650 111 A HA 0.416 4.736 4.320 -0.000 0.000 0.320 111 A C -0.238 177.356 177.584 0.017 0.000 1.466 111 A CA -0.373 51.745 52.037 0.135 0.000 1.099 111 A CB -0.209 18.919 19.000 0.213 0.000 1.136 111 A HN 0.607 nan 8.150 nan 0.000 0.532 112 L N 3.587 124.779 121.223 -0.052 0.000 2.288 112 L HA 0.711 5.051 4.340 -0.000 0.000 0.283 112 L C 0.411 177.118 176.870 -0.272 0.000 1.072 112 L CA 1.101 55.792 54.840 -0.248 0.000 0.862 112 L CB 0.114 41.992 42.059 -0.303 0.000 1.245 112 L HN 0.839 nan 8.230 nan 0.000 0.432 113 G N 2.199 110.803 108.800 -0.328 0.000 2.360 113 G HA2 0.422 4.382 3.960 -0.000 0.000 0.276 113 G HA3 0.422 4.382 3.960 -0.000 0.000 0.276 113 G C -0.535 174.221 174.900 -0.240 0.000 1.256 113 G CA -0.203 44.736 45.100 -0.269 0.000 0.890 113 G HN 0.780 nan 8.290 nan 0.000 0.486 114 G N -1.153 107.555 108.800 -0.153 0.000 2.695 114 G HA2 0.537 4.497 3.960 -0.000 0.000 0.213 114 G HA3 0.537 4.497 3.960 -0.000 0.000 0.213 114 G C 1.412 176.267 174.900 -0.076 0.000 1.406 114 G CA 0.695 45.724 45.100 -0.119 0.000 1.049 114 G HN 1.633 nan 8.290 nan 0.000 0.573 115 G N -1.024 107.742 108.800 -0.056 0.000 2.422 115 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 115 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 115 G C 1.647 176.527 174.900 -0.033 0.000 1.146 115 G CA 1.480 46.556 45.100 -0.041 0.000 0.769 115 G HN 0.380 nan 8.290 nan 0.000 0.547 116 V N 1.467 121.361 119.914 -0.034 0.000 2.237 116 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 116 V C 2.751 178.833 176.094 -0.020 0.000 1.046 116 V CA 1.205 63.489 62.300 -0.026 0.000 1.007 116 V CB -0.385 31.424 31.823 -0.023 0.000 0.638 116 V HN 0.241 nan 8.190 nan 0.000 0.445 117 I N 1.013 121.567 120.570 -0.028 0.000 2.264 117 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 117 I C 2.537 178.651 176.117 -0.006 0.000 1.111 117 I CA 1.966 63.252 61.300 -0.023 0.000 1.382 117 I CB -1.832 36.142 38.000 -0.044 0.000 1.060 117 I HN 0.410 nan 8.210 nan 0.000 0.418 118 G N 0.758 109.556 108.800 -0.004 0.000 2.453 118 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 118 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 118 G C 1.318 176.251 174.900 0.055 0.000 1.201 118 G CA 0.771 45.895 45.100 0.039 0.000 0.784 118 G HN 0.318 nan 8.290 nan 0.000 0.545 119 D N 0.233 120.648 120.400 0.025 0.000 2.123 119 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 119 D C 2.439 178.764 176.300 0.043 0.000 0.992 119 D CA 0.913 54.927 54.000 0.022 0.000 0.833 119 D CB -0.357 40.435 40.800 -0.014 0.000 0.954 119 D HN 0.254 nan 8.370 nan 0.000 0.455 120 L N 0.996 122.236 121.223 0.030 0.000 1.976 120 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 120 L C 2.254 179.125 176.870 0.001 0.000 1.071 120 L CA 1.937 56.800 54.840 0.039 0.000 0.746 120 L CB -1.058 41.001 42.059 -0.000 0.000 0.890 120 L HN -0.073 nan 8.230 nan 0.000 0.432 121 T N -0.347 114.187 114.554 -0.033 0.000 2.746 121 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 121 T C 1.705 176.279 174.700 -0.209 0.000 1.039 121 T CA 1.253 63.304 62.100 -0.082 0.000 1.142 121 T CB -1.031 67.834 68.868 -0.005 0.000 0.866 121 T HN 0.617 nan 8.240 nan 0.000 0.444 122 G N 0.616 109.289 108.800 -0.211 0.000 2.422 122 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 122 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 122 G C 1.332 176.075 174.900 -0.262 0.000 1.146 122 G CA 0.414 45.194 45.100 -0.534 0.000 0.769 122 G HN 0.461 nan 8.290 nan 0.000 0.547 123 F N 1.201 121.010 119.950 -0.234 0.000 2.293 123 F HA 0.094 4.621 4.527 -0.000 0.000 0.297 123 F C 2.556 178.218 175.800 -0.229 0.000 1.089 123 F CA 0.315 58.197 58.000 -0.197 0.000 1.377 123 F CB -0.357 38.568 39.000 -0.125 0.000 1.051 123 F HN 0.003 nan 8.300 nan 0.000 0.511 124 V N 0.601 120.334 119.914 -0.302 0.000 2.343 124 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 124 V C 2.782 178.681 176.094 -0.325 0.000 1.051 124 V CA 1.863 63.948 62.300 -0.359 0.000 1.036 124 V CB -1.545 30.136 31.823 -0.237 0.000 0.654 124 V HN 0.426 nan 8.190 nan 0.000 0.451 125 A N 0.679 123.309 122.820 -0.316 0.000 1.902 125 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 125 A C 2.559 179.868 177.584 -0.457 0.000 1.181 125 A CA 2.253 54.142 52.037 -0.247 0.000 0.623 125 A CB -0.864 18.008 19.000 -0.213 0.000 0.818 125 A HN 0.696 nan 8.150 nan 0.000 0.443 126 S N -0.247 114.970 115.700 -0.806 0.000 2.400 126 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 126 S C 1.709 175.737 174.600 -0.953 0.000 1.025 126 S CA 2.130 59.431 58.200 -1.498 0.000 0.993 126 S CB -1.079 61.630 63.200 -0.817 0.000 0.808 126 S HN 0.864 nan 8.310 nan 0.000 0.478 127 T N -3.752 110.442 114.554 -0.599 0.000 3.023 127 T HA 0.240 4.590 4.350 -0.000 0.000 0.253 127 T C 0.298 174.825 174.700 -0.288 0.000 1.038 127 T CA -0.563 61.275 62.100 -0.436 0.000 0.962 127 T CB -0.652 67.941 68.868 -0.458 0.000 1.018 127 T HN 0.336 nan 8.240 nan 0.000 0.521 128 Y N 3.647 123.748 120.300 -0.332 0.000 2.754 128 Y HA 0.306 4.856 4.550 -0.000 0.000 0.349 128 Y C 0.882 176.687 175.900 -0.159 0.000 1.179 128 Y CA -0.483 57.489 58.100 -0.213 0.000 1.538 128 Y CB -0.682 37.679 38.460 -0.165 0.000 1.200 128 Y HN 0.258 nan 8.280 nan 0.000 0.522 129 M N 5.697 125.004 119.600 -0.489 0.000 2.360 129 M HA -0.422 4.058 4.480 -0.000 0.000 0.202 129 M C 0.553 176.746 176.300 -0.179 0.000 0.390 129 M CA 1.138 56.237 55.300 -0.334 0.000 0.470 129 M CB -1.098 31.315 32.600 -0.312 0.000 1.637 129 M HN 0.864 nan 8.290 nan 0.000 0.885 130 R N -2.562 117.819 120.500 -0.199 0.000 3.878 130 R HA -0.091 4.249 4.340 -0.000 0.000 0.330 130 R C 0.420 176.592 176.300 -0.212 0.000 1.186 130 R CA 0.820 56.811 56.100 -0.181 0.000 0.885 130 R CB -2.417 27.819 30.300 -0.107 0.000 1.377 130 R HN 1.349 nan 8.270 nan 0.000 0.523 131 G N -1.088 107.570 108.800 -0.237 0.000 3.055 131 G HA2 0.206 4.166 3.960 -0.000 0.000 0.685 131 G HA3 0.206 4.166 3.960 -0.000 0.000 0.685 131 G C -0.551 174.440 174.900 0.152 0.000 1.212 131 G CA -0.529 44.422 45.100 -0.249 0.000 0.822 131 G HN 0.855 nan 8.290 nan 0.000 0.610 132 V N -0.430 119.656 119.914 0.286 0.000 3.114 132 V HA 0.907 5.027 4.120 -0.000 0.000 0.308 132 V C 0.445 176.828 176.094 0.481 0.000 1.168 132 V CA -1.633 60.861 62.300 0.323 0.000 1.015 132 V CB 1.766 33.715 31.823 0.211 0.000 1.050 132 V HN 1.092 nan 8.190 nan 0.000 0.433 133 R N 1.552 122.243 120.500 0.319 0.000 2.738 133 R HA 0.548 4.888 4.340 -0.000 0.000 0.268 133 R C -0.835 175.690 176.300 0.374 0.000 1.062 133 R CA 0.165 56.436 56.100 0.286 0.000 1.158 133 R CB 0.340 30.714 30.300 0.124 0.000 1.046 133 R HN 1.024 nan 8.270 nan 0.000 0.493 134 Y N -1.995 118.382 120.300 0.127 0.000 2.641 134 Y HA 0.520 5.070 4.550 -0.000 0.000 0.333 134 Y C -1.509 174.451 175.900 0.100 0.000 1.174 134 Y CA -1.476 56.703 58.100 0.132 0.000 1.057 134 Y CB 0.779 39.343 38.460 0.174 0.000 1.322 134 Y HN 0.365 nan 8.280 nan 0.000 0.457 135 V N 0.329 120.225 119.914 -0.029 0.000 2.864 135 V HA 0.674 4.794 4.120 -0.000 0.000 0.314 135 V C -0.998 175.055 176.094 -0.069 0.000 1.073 135 V CA -0.908 61.302 62.300 -0.150 0.000 0.956 135 V CB 2.004 33.902 31.823 0.125 0.000 1.023 135 V HN 0.875 nan 8.190 nan 0.000 0.435 136 Q N 1.604 121.322 119.800 -0.137 0.000 2.271 136 Q HA 0.616 4.956 4.340 -0.000 0.000 0.258 136 Q C -0.961 175.072 176.000 0.054 0.000 0.936 136 Q CA -0.375 55.412 55.803 -0.026 0.000 0.909 136 Q CB 2.070 30.759 28.738 -0.082 0.000 1.253 136 Q HN 0.809 nan 8.270 nan 0.000 0.440 137 V N 4.752 124.688 119.914 0.037 0.000 2.384 137 V HA 0.195 4.315 4.120 -0.000 0.000 0.257 137 V C -2.213 173.724 176.094 -0.262 0.000 0.969 137 V CA -1.415 60.886 62.300 0.003 0.000 0.910 137 V CB 0.985 32.818 31.823 0.017 0.000 1.150 137 V HN 0.572 nan 8.190 nan 0.000 0.481 138 P HA 0.060 nan 4.420 nan 0.000 0.262 138 P C 0.872 177.890 177.300 -0.469 0.000 1.199 138 P CA 0.529 63.470 63.100 -0.265 0.000 0.763 138 P CB 1.158 32.772 31.700 -0.143 0.000 0.790 139 T N -0.848 113.353 114.554 -0.588 0.000 3.022 139 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 139 T C 0.840 175.373 174.700 -0.277 0.000 1.060 139 T CA 0.216 61.875 62.100 -0.735 0.000 1.013 139 T CB -0.423 67.900 68.868 -0.910 0.000 0.982 139 T HN 0.490 nan 8.240 nan 0.000 0.508 140 T N 0.127 114.563 114.554 -0.196 0.000 2.943 140 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 140 T C 0.976 175.605 174.700 -0.119 0.000 1.015 140 T CA -0.930 61.107 62.100 -0.104 0.000 1.042 140 T CB 1.691 70.512 68.868 -0.079 0.000 1.055 140 T HN -0.032 nan 8.240 nan 0.000 0.500 141 L N 1.750 122.889 121.223 -0.139 0.000 2.027 141 L HA 0.115 4.455 4.340 -0.000 0.000 0.206 141 L C 2.124 178.892 176.870 -0.171 0.000 1.074 141 L CA 1.589 56.294 54.840 -0.225 0.000 0.745 141 L CB -1.472 40.321 42.059 -0.444 0.000 0.898 141 L HN 0.766 nan 8.230 nan 0.000 0.433 142 L N -0.006 121.142 121.223 -0.125 0.000 2.127 142 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 142 L C 2.358 179.196 176.870 -0.054 0.000 1.089 142 L CA 2.011 56.812 54.840 -0.066 0.000 0.757 142 L CB -0.947 41.102 42.059 -0.016 0.000 0.899 142 L HN 0.340 nan 8.230 nan 0.000 0.434 143 A N -1.335 121.440 122.820 -0.075 0.000 1.975 143 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 143 A C 2.187 179.724 177.584 -0.078 0.000 1.170 143 A CA 1.299 53.293 52.037 -0.072 0.000 0.656 143 A CB -0.370 18.573 19.000 -0.095 0.000 0.821 143 A HN 0.477 nan 8.150 nan 0.000 0.449 144 M N -0.130 119.411 119.600 -0.098 0.000 2.132 144 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 144 M C 1.974 178.228 176.300 -0.078 0.000 1.065 144 M CA 1.862 57.105 55.300 -0.094 0.000 1.122 144 M CB -0.289 32.243 32.600 -0.114 0.000 1.365 144 M HN 0.414 nan 8.290 nan 0.000 0.411 145 V N -3.787 116.081 119.914 -0.076 0.000 3.590 145 V HA 0.083 4.203 4.120 -0.000 0.000 0.265 145 V C 0.794 176.876 176.094 -0.019 0.000 1.239 145 V CA 1.273 63.543 62.300 -0.051 0.000 1.117 145 V CB 0.047 31.833 31.823 -0.063 0.000 0.818 145 V HN 0.281 nan 8.190 nan 0.000 0.451 146 D N 0.588 120.977 120.400 -0.018 0.000 3.045 146 D HA 0.056 4.696 4.640 -0.000 0.000 0.196 146 D C 2.175 178.473 176.300 -0.003 0.000 1.520 146 D CA 1.466 55.469 54.000 0.004 0.000 1.466 146 D CB 0.443 41.263 40.800 0.033 0.000 1.152 146 D HN 0.331 nan 8.370 nan 0.000 0.254 147 S N 0.166 115.862 115.700 -0.006 0.000 2.392 147 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 147 S C 2.037 176.634 174.600 -0.004 0.000 1.041 147 S CA 2.604 60.798 58.200 -0.009 0.000 1.026 147 S CB -0.883 62.306 63.200 -0.019 0.000 0.845 147 S HN 0.306 nan 8.310 nan 0.000 0.465 148 S N 0.897 116.587 115.700 -0.017 0.000 2.461 148 S HA 0.251 4.721 4.470 -0.000 0.000 0.228 148 S C 0.735 175.321 174.600 -0.022 0.000 1.005 148 S CA -0.196 57.995 58.200 -0.014 0.000 0.942 148 S CB -0.553 62.623 63.200 -0.040 0.000 0.776 148 S HN 0.482 nan 8.310 nan 0.000 0.514 149 I N 2.277 122.831 120.570 -0.026 0.000 2.325 149 I HA 0.568 4.738 4.170 -0.000 0.000 0.291 149 I C 1.423 177.528 176.117 -0.021 0.000 1.019 149 I CA 0.606 61.886 61.300 -0.034 0.000 1.302 149 I CB 0.056 38.037 38.000 -0.032 0.000 1.401 149 I HN 0.482 nan 8.210 nan 0.000 0.485 150 G N 4.325 113.111 108.800 -0.024 0.000 2.797 150 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.195 150 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.195 150 G C 0.878 175.785 174.900 0.011 0.000 1.026 150 G CA 0.013 45.105 45.100 -0.014 0.000 0.759 150 G HN 1.299 nan 8.290 nan 0.000 0.475 151 G N 0.059 108.888 108.800 0.048 0.000 2.176 151 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 151 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 151 G C 0.213 175.193 174.900 0.132 0.000 0.979 151 G CA 1.032 46.201 45.100 0.114 0.000 0.641 151 G HN 0.882 nan 8.290 nan 0.000 0.530 152 K N 1.723 122.169 120.400 0.077 0.000 2.312 152 K HA 0.483 4.803 4.320 -0.000 0.000 0.287 152 K C 0.496 177.124 176.600 0.047 0.000 1.062 152 K CA 0.677 56.991 56.287 0.046 0.000 0.934 152 K CB 0.885 33.390 32.500 0.007 0.000 1.027 152 K HN 0.437 nan 8.250 nan 0.000 0.478 153 T N -0.697 113.872 114.554 0.026 0.000 2.906 153 T HA 0.854 5.204 4.350 -0.000 0.000 0.295 153 T C -0.809 173.788 174.700 -0.171 0.000 1.075 153 T CA -0.802 61.300 62.100 0.003 0.000 1.005 153 T CB 2.112 71.042 68.868 0.103 0.000 1.136 153 T HN 0.660 nan 8.240 nan 0.000 0.498 154 A N 1.230 123.929 122.820 -0.202 0.000 2.441 154 A HA 0.643 4.963 4.320 -0.000 0.000 0.295 154 A C -1.362 176.109 177.584 -0.190 0.000 0.992 154 A CA -0.712 51.065 52.037 -0.434 0.000 0.603 154 A CB 0.059 18.839 19.000 -0.366 0.000 1.385 154 A HN 1.731 nan 8.150 nan 0.000 0.470 155 I N -1.976 118.481 120.570 -0.188 0.000 3.170 155 I HA 0.842 5.012 4.170 -0.000 0.000 0.312 155 I C -1.120 174.955 176.117 -0.069 0.000 1.085 155 I CA -0.956 60.321 61.300 -0.040 0.000 0.999 155 I CB 1.926 39.970 38.000 0.073 0.000 1.233 155 I HN 0.447 nan 8.210 nan 0.000 0.467 156 D N 0.850 121.228 120.400 -0.037 0.000 2.272 156 D HA 0.504 5.144 4.640 -0.000 0.000 0.247 156 D C -0.651 175.634 176.300 -0.026 0.000 0.990 156 D CA -0.105 53.870 54.000 -0.042 0.000 0.931 156 D CB 2.242 43.019 40.800 -0.038 0.000 1.195 156 D HN 0.713 nan 8.370 nan 0.000 0.477 157 T N -1.288 113.249 114.554 -0.030 0.000 2.906 157 T HA 0.390 4.740 4.350 -0.000 0.000 0.295 157 T C -2.142 172.546 174.700 -0.019 0.000 1.075 157 T CA -2.077 60.012 62.100 -0.019 0.000 1.005 157 T CB 1.748 70.604 68.868 -0.021 0.000 1.136 157 T HN 0.011 nan 8.240 nan 0.000 0.498 158 P HA 0.057 nan 4.420 nan 0.000 0.236 158 P C 0.679 177.971 177.300 -0.013 0.000 1.172 158 P CA 0.519 63.612 63.100 -0.010 0.000 0.759 158 P CB 0.013 31.710 31.700 -0.005 0.000 0.843 159 L N -1.629 119.583 121.223 -0.018 0.000 2.808 159 L HA 0.522 4.862 4.340 -0.000 0.000 0.246 159 L C 1.168 178.019 176.870 -0.032 0.000 1.153 159 L CA 0.286 55.114 54.840 -0.020 0.000 0.956 159 L CB 0.130 42.178 42.059 -0.018 0.000 1.270 159 L HN 0.038 nan 8.230 nan 0.000 0.528 160 G N -0.930 107.847 108.800 -0.038 0.000 2.353 160 G HA2 0.096 4.056 3.960 -0.000 0.000 0.308 160 G HA3 0.096 4.056 3.960 -0.000 0.000 0.308 160 G C -1.374 173.489 174.900 -0.061 0.000 1.418 160 G CA -1.068 44.000 45.100 -0.053 0.000 0.966 160 G HN -0.142 nan 8.290 nan 0.000 0.638 161 K N 0.921 121.275 120.400 -0.077 0.000 2.143 161 K HA 0.409 4.729 4.320 -0.000 0.000 0.272 161 K C 0.329 176.869 176.600 -0.099 0.000 1.001 161 K CA -0.611 55.625 56.287 -0.085 0.000 0.915 161 K CB 0.636 33.079 32.500 -0.095 0.000 1.047 161 K HN 0.566 nan 8.250 nan 0.000 0.458 162 N N 1.899 120.536 118.700 -0.105 0.000 2.721 162 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 162 N C 0.375 175.804 175.510 -0.136 0.000 1.072 162 N CA 0.496 53.468 53.050 -0.131 0.000 0.710 162 N CB -1.021 37.392 38.487 -0.122 0.000 0.993 162 N HN 0.581 nan 8.380 nan 0.000 0.547 163 L N -0.663 120.488 121.223 -0.121 0.000 2.270 163 L HA 0.168 4.508 4.340 -0.000 0.000 0.210 163 L C 0.950 177.742 176.870 -0.129 0.000 1.104 163 L CA 0.984 55.761 54.840 -0.106 0.000 0.804 163 L CB 0.114 42.128 42.059 -0.075 0.000 0.937 163 L HN 0.178 nan 8.230 nan 0.000 0.450 164 I N -0.337 120.125 120.570 -0.180 0.000 2.447 164 I HA 0.548 4.718 4.170 -0.000 0.000 0.287 164 I C 0.119 175.872 176.117 -0.606 0.000 1.023 164 I CA -0.354 60.803 61.300 -0.240 0.000 1.083 164 I CB 1.790 39.733 38.000 -0.096 0.000 1.245 164 I HN -0.013 nan 8.210 nan 0.000 0.434 165 G N 4.168 112.503 108.800 -0.775 0.000 2.500 165 G HA2 0.841 4.801 3.960 -0.000 0.000 0.299 165 G HA3 0.841 4.801 3.960 -0.000 0.000 0.299 165 G C -2.102 172.395 174.900 -0.672 0.000 1.242 165 G CA 0.044 44.308 45.100 -1.394 0.000 0.859 165 G HN 0.827 nan 8.290 nan 0.000 0.481 166 A N -1.233 121.384 122.820 -0.338 0.000 2.599 166 A HA 0.749 5.069 4.320 -0.000 0.000 0.290 166 A C -1.613 176.027 177.584 0.092 0.000 1.101 166 A CA -0.568 51.476 52.037 0.011 0.000 0.674 166 A CB 0.940 20.064 19.000 0.206 0.000 1.277 166 A HN 0.914 nan 8.150 nan 0.000 0.419 167 I N 1.372 122.037 120.570 0.158 0.000 2.337 167 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 167 I C -1.101 175.235 176.117 0.364 0.000 1.041 167 I CA 0.116 61.531 61.300 0.191 0.000 1.199 167 I CB 0.610 38.679 38.000 0.114 0.000 1.370 167 I HN 0.653 nan 8.210 nan 0.000 0.470 168 W N 7.397 128.758 121.300 0.103 0.000 2.521 168 W HA 0.314 4.974 4.660 -0.000 0.000 0.310 168 W C -0.556 176.117 176.519 0.256 0.000 1.000 168 W CA -0.784 56.654 57.345 0.156 0.000 1.353 168 W CB 1.778 31.316 29.460 0.130 0.000 1.276 168 W HN 0.416 nan 8.180 nan 0.000 0.417 169 Q N 5.752 125.504 119.800 -0.079 0.000 2.300 169 Q HA 0.098 4.438 4.340 -0.000 0.000 0.280 169 Q C -1.868 173.994 176.000 -0.230 0.000 1.033 169 Q CA -1.312 54.418 55.803 -0.122 0.000 0.903 169 Q CB 0.492 29.117 28.738 -0.188 0.000 1.195 169 Q HN 0.254 nan 8.270 nan 0.000 0.386 170 P HA 0.083 nan 4.420 nan 0.000 0.275 170 P C 0.072 177.101 177.300 -0.450 0.000 1.228 170 P CA -0.137 62.485 63.100 -0.798 0.000 0.786 170 P CB 0.888 32.081 31.700 -0.845 0.000 0.927 171 T N 0.857 115.180 114.554 -0.385 0.000 2.904 171 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 171 T C 0.768 175.335 174.700 -0.221 0.000 1.059 171 T CA 1.324 63.288 62.100 -0.226 0.000 1.137 171 T CB -0.053 68.742 68.868 -0.121 0.000 0.879 171 T HN 0.386 nan 8.240 nan 0.000 0.467 172 K N 0.267 120.493 120.400 -0.291 0.000 2.508 172 K HA 0.561 4.881 4.320 -0.000 0.000 0.260 172 K C -1.381 174.955 176.600 -0.439 0.000 0.949 172 K CA -0.574 55.479 56.287 -0.390 0.000 0.834 172 K CB 2.615 34.796 32.500 -0.531 0.000 1.365 172 K HN 0.022 nan 8.250 nan 0.000 0.437 173 I N 2.829 123.129 120.570 -0.451 0.000 2.521 173 I HA 0.207 4.377 4.170 -0.000 0.000 0.277 173 I C -1.165 174.796 176.117 -0.260 0.000 1.054 173 I CA -0.762 60.363 61.300 -0.292 0.000 1.117 173 I CB 0.792 38.682 38.000 -0.182 0.000 1.217 173 I HN 0.401 nan 8.210 nan 0.000 0.469 174 Y N 6.317 126.639 120.300 0.036 0.000 2.452 174 Y HA 0.359 4.909 4.550 -0.000 0.000 0.348 174 Y C 0.552 176.480 175.900 0.047 0.000 0.985 174 Y CA -0.441 57.703 58.100 0.073 0.000 1.214 174 Y CB 0.493 39.063 38.460 0.185 0.000 1.136 174 Y HN 0.371 nan 8.280 nan 0.000 0.523 175 I N 4.014 124.656 120.570 0.121 0.000 2.313 175 I HA 0.099 4.269 4.170 -0.000 0.000 0.286 175 I C -0.287 175.837 176.117 0.012 0.000 1.091 175 I CA -0.372 60.951 61.300 0.038 0.000 1.216 175 I CB 0.462 38.433 38.000 -0.049 0.000 1.434 175 I HN 0.502 nan 8.210 nan 0.000 0.487 176 D N 6.391 126.855 120.400 0.107 0.000 2.428 176 D HA 0.184 4.824 4.640 -0.000 0.000 0.221 176 D C 0.830 177.042 176.300 -0.147 0.000 1.123 176 D CA -0.442 53.536 54.000 -0.037 0.000 0.869 176 D CB 1.298 42.055 40.800 -0.073 0.000 1.032 176 D HN 0.290 nan 8.370 nan 0.000 0.506 177 L N 3.145 124.097 121.223 -0.452 0.000 2.447 177 L HA -0.098 4.242 4.340 -0.000 0.000 0.225 177 L C 2.066 178.761 176.870 -0.293 0.000 1.148 177 L CA 1.103 55.577 54.840 -0.611 0.000 0.808 177 L CB -0.375 40.855 42.059 -1.382 0.000 0.928 177 L HN 0.495 nan 8.230 nan 0.000 0.448 178 E N -1.129 119.001 120.200 -0.116 0.000 2.338 178 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 178 E C 1.887 178.543 176.600 0.093 0.000 1.007 178 E CA 0.610 57.095 56.400 0.143 0.000 0.849 178 E CB -0.086 29.677 29.700 0.104 0.000 0.774 178 E HN 0.434 nan 8.360 nan 0.000 0.506 179 F N 0.522 120.469 119.950 -0.005 0.000 2.365 179 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 179 F C 1.841 177.702 175.800 0.100 0.000 1.090 179 F CA 0.765 58.715 58.000 -0.083 0.000 1.408 179 F CB -0.124 38.709 39.000 -0.279 0.000 1.060 179 F HN 0.005 nan 8.300 nan 0.000 0.534 180 L N -0.469 120.938 121.223 0.307 0.000 2.610 180 L HA -0.075 4.265 4.340 -0.000 0.000 0.232 180 L C 1.736 178.964 176.870 0.596 0.000 1.149 180 L CA 0.654 55.724 54.840 0.383 0.000 0.872 180 L CB -0.562 41.635 42.059 0.230 0.000 0.992 180 L HN 0.214 nan 8.230 nan 0.000 0.447 181 E N -0.141 120.396 120.200 0.562 0.000 2.216 181 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 181 E C 1.880 178.671 176.600 0.319 0.000 0.988 181 E CA 1.591 58.297 56.400 0.509 0.000 0.834 181 E CB 0.155 30.120 29.700 0.441 0.000 0.772 181 E HN 0.504 nan 8.360 nan 0.000 0.479 182 T N -1.240 113.519 114.554 0.340 0.000 3.001 182 T HA 0.124 4.474 4.350 -0.000 0.000 0.251 182 T C 0.596 175.439 174.700 0.238 0.000 1.040 182 T CA -0.489 61.768 62.100 0.261 0.000 0.985 182 T CB -0.001 69.041 68.868 0.289 0.000 1.011 182 T HN -0.073 nan 8.240 nan 0.000 0.509 183 L N 3.791 125.180 121.223 0.277 0.000 2.513 183 L HA 0.369 4.709 4.340 -0.000 0.000 0.272 183 L C -2.512 174.481 176.870 0.205 0.000 1.187 183 L CA -1.750 53.229 54.840 0.231 0.000 0.895 183 L CB -0.027 42.190 42.059 0.263 0.000 1.147 183 L HN -0.051 nan 8.230 nan 0.000 0.483 184 P HA -0.033 nan 4.420 nan 0.000 0.265 184 P C 0.972 178.363 177.300 0.151 0.000 1.187 184 P CA -0.198 62.976 63.100 0.122 0.000 0.766 184 P CB 0.570 32.325 31.700 0.092 0.000 0.820 185 V N 3.821 123.804 119.914 0.115 0.000 2.250 185 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 185 V C 2.483 178.675 176.094 0.164 0.000 1.060 185 V CA 2.156 64.528 62.300 0.120 0.000 1.030 185 V CB -0.878 30.977 31.823 0.055 0.000 0.643 185 V HN 0.661 nan 8.190 nan 0.000 0.445 186 R N -0.370 120.200 120.500 0.117 0.000 2.096 186 R HA -0.207 4.133 4.340 -0.000 0.000 0.240 186 R C 2.374 178.749 176.300 0.124 0.000 1.139 186 R CA 1.877 58.041 56.100 0.107 0.000 0.952 186 R CB -0.217 30.126 30.300 0.071 0.000 0.854 186 R HN 0.529 nan 8.270 nan 0.000 0.436 187 E N -0.038 120.238 120.200 0.126 0.000 2.077 187 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 187 E C 1.688 178.366 176.600 0.129 0.000 0.989 187 E CA 1.026 57.489 56.400 0.106 0.000 0.800 187 E CB -0.445 29.310 29.700 0.091 0.000 0.746 187 E HN 0.322 nan 8.360 nan 0.000 0.452 188 F N 1.563 121.550 119.950 0.061 0.000 2.069 188 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 188 F C 2.244 178.073 175.800 0.048 0.000 1.113 188 F CA 1.265 59.306 58.000 0.068 0.000 1.214 188 F CB -0.349 38.722 39.000 0.119 0.000 0.978 188 F HN -0.095 nan 8.300 nan 0.000 0.474 189 I N 0.331 121.139 120.570 0.396 0.000 2.264 189 I HA -0.358 3.812 4.170 -0.000 0.000 0.248 189 I C 2.210 178.378 176.117 0.084 0.000 1.111 189 I CA 1.736 63.194 61.300 0.264 0.000 1.382 189 I CB -0.730 37.398 38.000 0.214 0.000 1.060 189 I HN 0.274 nan 8.210 nan 0.000 0.418 190 N N 1.332 120.065 118.700 0.055 0.000 2.069 190 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 190 N C 1.911 177.395 175.510 -0.043 0.000 1.031 190 N CA 1.977 55.031 53.050 0.006 0.000 0.852 190 N CB -0.451 38.050 38.487 0.023 0.000 1.018 190 N HN 0.284 nan 8.380 nan 0.000 0.423 191 G N 0.007 108.753 108.800 -0.090 0.000 2.422 191 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 191 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 191 G C 1.398 176.186 174.900 -0.187 0.000 1.146 191 G CA 0.630 45.643 45.100 -0.144 0.000 0.769 191 G HN 0.218 nan 8.290 nan 0.000 0.547 192 M N 1.324 120.781 119.600 -0.237 0.000 2.260 192 M HA -0.056 4.424 4.480 -0.000 0.000 0.261 192 M C 2.858 179.045 176.300 -0.189 0.000 1.066 192 M CA 0.977 56.112 55.300 -0.274 0.000 1.082 192 M CB -1.126 31.320 32.600 -0.256 0.000 1.388 192 M HN 0.351 nan 8.290 nan 0.000 0.419 193 A N 0.137 122.891 122.820 -0.110 0.000 1.865 193 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 193 A C 2.044 179.604 177.584 -0.041 0.000 1.191 193 A CA 1.593 53.584 52.037 -0.076 0.000 0.623 193 A CB -0.515 18.424 19.000 -0.102 0.000 0.826 193 A HN 0.470 nan 8.150 nan 0.000 0.444 194 E N -0.096 120.089 120.200 -0.026 0.000 2.110 194 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 194 E C 2.202 178.811 176.600 0.014 0.000 0.988 194 E CA 1.252 57.674 56.400 0.037 0.000 0.804 194 E CB -0.622 29.112 29.700 0.057 0.000 0.745 194 E HN 0.426 nan 8.360 nan 0.000 0.458 195 V N 1.838 121.715 119.914 -0.062 0.000 2.295 195 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 195 V C 2.445 178.506 176.094 -0.055 0.000 1.049 195 V CA 1.523 63.769 62.300 -0.089 0.000 1.024 195 V CB -0.477 31.233 31.823 -0.187 0.000 0.648 195 V HN 0.194 nan 8.190 nan 0.000 0.447 196 I N -0.139 120.392 120.570 -0.065 0.000 2.286 196 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 196 I C 2.581 178.828 176.117 0.216 0.000 1.115 196 I CA 1.652 62.964 61.300 0.020 0.000 1.392 196 I CB -0.468 37.536 38.000 0.007 0.000 1.065 196 I HN 0.310 nan 8.210 nan 0.000 0.418 197 K N 0.876 121.404 120.400 0.214 0.000 2.026 197 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 197 K C 2.106 178.851 176.600 0.242 0.000 1.048 197 K CA 2.000 58.513 56.287 0.377 0.000 0.929 197 K CB -0.165 32.510 32.500 0.291 0.000 0.713 197 K HN 0.180 nan 8.250 nan 0.000 0.439 198 T N 1.039 115.649 114.554 0.093 0.000 2.635 198 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 198 T C 1.861 176.455 174.700 -0.176 0.000 1.040 198 T CA 1.684 63.735 62.100 -0.082 0.000 1.156 198 T CB -0.396 68.434 68.868 -0.064 0.000 0.863 198 T HN 0.475 nan 8.240 nan 0.000 0.430 199 A N 1.557 124.357 122.820 -0.033 0.000 1.865 199 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 199 A C 2.653 180.264 177.584 0.044 0.000 1.191 199 A CA 2.104 54.154 52.037 0.021 0.000 0.623 199 A CB -1.314 17.763 19.000 0.127 0.000 0.826 199 A HN 0.538 nan 8.150 nan 0.000 0.444 200 A N 0.060 122.976 122.820 0.160 0.000 2.084 200 A HA -0.090 4.230 4.320 -0.000 0.000 0.221 200 A C 1.832 179.208 177.584 -0.346 0.000 1.161 200 A CA 1.594 53.581 52.037 -0.085 0.000 0.653 200 A CB -0.876 18.122 19.000 -0.004 0.000 0.802 200 A HN 1.091 nan 8.150 nan 0.000 0.457 201 I N -4.096 116.314 120.570 -0.266 0.000 4.025 201 I HA 0.248 4.418 4.170 -0.000 0.000 0.336 201 I C 1.099 177.098 176.117 -0.196 0.000 1.390 201 I CA 0.782 61.912 61.300 -0.283 0.000 1.099 201 I CB 0.444 38.330 38.000 -0.191 0.000 1.049 201 I HN 0.201 nan 8.210 nan 0.000 0.394 202 S N -0.879 114.701 115.700 -0.200 0.000 2.917 202 S HA 0.218 4.688 4.470 -0.000 0.000 0.269 202 S C 0.579 175.121 174.600 -0.096 0.000 1.072 202 S CA 0.096 58.208 58.200 -0.145 0.000 0.967 202 S CB 0.451 63.494 63.200 -0.262 0.000 0.906 202 S HN 0.287 nan 8.310 nan 0.000 0.463 203 S N 0.652 116.302 115.700 -0.082 0.000 2.677 203 S HA 0.451 4.921 4.470 -0.000 0.000 0.283 203 S C 0.166 174.771 174.600 0.009 0.000 1.159 203 S CA -0.431 57.748 58.200 -0.036 0.000 1.001 203 S CB 1.809 64.995 63.200 -0.024 0.000 1.032 203 S HN 0.254 nan 8.310 nan 0.000 0.487 204 E N 3.156 123.352 120.200 -0.007 0.000 2.047 204 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 204 E C 1.029 177.684 176.600 0.092 0.000 0.987 204 E CA 1.607 58.017 56.400 0.017 0.000 0.799 204 E CB 0.022 29.707 29.700 -0.024 0.000 0.752 204 E HN 0.793 nan 8.360 nan 0.000 0.449 205 E N 0.742 120.973 120.200 0.053 0.000 2.130 205 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 205 E C 1.894 178.538 176.600 0.073 0.000 0.998 205 E CA 1.502 57.935 56.400 0.056 0.000 0.806 205 E CB -0.214 29.502 29.700 0.027 0.000 0.738 205 E HN 0.182 nan 8.360 nan 0.000 0.459 206 E N -0.397 119.845 120.200 0.070 0.000 2.107 206 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 206 E C 1.579 178.237 176.600 0.097 0.000 0.982 206 E CA 0.613 57.049 56.400 0.060 0.000 0.809 206 E CB -0.329 29.389 29.700 0.030 0.000 0.756 206 E HN 0.311 nan 8.360 nan 0.000 0.459 207 F N 0.297 120.246 119.950 -0.001 0.000 2.293 207 F HA -0.076 4.450 4.527 -0.000 0.000 0.300 207 F C 1.961 177.790 175.800 0.048 0.000 1.086 207 F CA 1.582 59.596 58.000 0.024 0.000 1.375 207 F CB -0.263 38.742 39.000 0.007 0.000 1.045 207 F HN -0.021 nan 8.300 nan 0.000 0.516 208 T N 0.060 114.757 114.554 0.238 0.000 2.904 208 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 208 T C 2.222 176.959 174.700 0.062 0.000 1.059 208 T CA 1.000 63.194 62.100 0.156 0.000 1.137 208 T CB -0.491 68.457 68.868 0.134 0.000 0.879 208 T HN 0.323 nan 8.240 nan 0.000 0.467 209 A N 1.216 124.066 122.820 0.050 0.000 1.930 209 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 209 A C 2.234 179.841 177.584 0.038 0.000 1.175 209 A CA 1.063 53.124 52.037 0.039 0.000 0.627 209 A CB -0.749 18.273 19.000 0.037 0.000 0.815 209 A HN 0.457 nan 8.150 nan 0.000 0.443 210 L N -0.740 120.484 121.223 0.002 0.000 2.093 210 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 210 L C 2.600 179.517 176.870 0.078 0.000 1.085 210 L CA 1.389 56.261 54.840 0.052 0.000 0.755 210 L CB -0.456 41.536 42.059 -0.112 0.000 0.904 210 L HN 0.484 nan 8.230 nan 0.000 0.435 211 E N -0.102 120.057 120.200 -0.069 0.000 2.072 211 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 211 E C 2.019 178.595 176.600 -0.040 0.000 0.985 211 E CA 1.222 57.581 56.400 -0.069 0.000 0.801 211 E CB 0.008 29.697 29.700 -0.019 0.000 0.750 211 E HN 0.546 nan 8.360 nan 0.000 0.452 212 E N 0.922 121.122 120.200 -0.000 0.000 2.015 212 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 212 E C 1.813 178.415 176.600 0.002 0.000 0.991 212 E CA 1.117 57.520 56.400 0.005 0.000 0.802 212 E CB -0.195 29.519 29.700 0.024 0.000 0.759 212 E HN 0.268 nan 8.360 nan 0.000 0.447 213 N N 0.771 119.498 118.700 0.044 0.000 2.364 213 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 213 N C 1.796 177.336 175.510 0.051 0.000 1.022 213 N CA 0.316 53.412 53.050 0.077 0.000 0.883 213 N CB -0.126 38.444 38.487 0.138 0.000 0.965 213 N HN 0.109 nan 8.380 nan 0.000 0.438 214 A N 2.045 124.809 122.820 -0.094 0.000 1.882 214 A HA -0.353 3.967 4.320 -0.000 0.000 0.220 214 A C 2.085 179.503 177.584 -0.277 0.000 1.253 214 A CA 2.118 53.820 52.037 -0.559 0.000 0.664 214 A CB -1.014 17.437 19.000 -0.915 0.000 0.838 214 A HN 0.480 nan 8.150 nan 0.000 0.460 215 E N -1.326 118.766 120.200 -0.181 0.000 2.070 215 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 215 E C 2.075 178.648 176.600 -0.045 0.000 1.004 215 E CA 2.042 58.381 56.400 -0.102 0.000 0.805 215 E CB -0.303 29.355 29.700 -0.071 0.000 0.744 215 E HN 0.633 nan 8.360 nan 0.000 0.451 216 T N 1.884 116.432 114.554 -0.009 0.000 2.622 216 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 216 T C 1.941 176.676 174.700 0.058 0.000 1.047 216 T CA 1.587 63.704 62.100 0.027 0.000 1.159 216 T CB -0.237 68.663 68.868 0.053 0.000 0.863 216 T HN 0.160 nan 8.240 nan 0.000 0.422 217 I N 1.000 121.645 120.570 0.124 0.000 2.087 217 I HA -0.154 4.016 4.170 -0.000 0.000 0.240 217 I C 2.439 178.601 176.117 0.075 0.000 1.054 217 I CA 1.376 62.796 61.300 0.199 0.000 1.311 217 I CB -1.484 36.747 38.000 0.386 0.000 1.024 217 I HN 0.190 nan 8.210 nan 0.000 0.402 218 L N 0.693 121.948 121.223 0.054 0.000 2.187 218 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 218 L C 2.564 179.397 176.870 -0.062 0.000 1.100 218 L CA 1.692 56.523 54.840 -0.015 0.000 0.765 218 L CB -0.767 41.283 42.059 -0.015 0.000 0.904 218 L HN 0.242 nan 8.230 nan 0.000 0.437 219 K N -0.994 119.376 120.400 -0.051 0.000 2.025 219 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 219 K C 2.043 178.576 176.600 -0.111 0.000 1.049 219 K CA 1.201 57.448 56.287 -0.066 0.000 0.933 219 K CB -0.113 32.360 32.500 -0.045 0.000 0.714 219 K HN 0.307 nan 8.250 nan 0.000 0.438 220 A N 0.626 123.368 122.820 -0.131 0.000 1.930 220 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 220 A C 2.154 179.500 177.584 -0.396 0.000 1.175 220 A CA 1.331 53.205 52.037 -0.272 0.000 0.627 220 A CB -0.523 18.309 19.000 -0.279 0.000 0.815 220 A HN 0.179 nan 8.150 nan 0.000 0.443 221 V N -0.334 119.381 119.914 -0.331 0.000 2.720 221 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 221 V C 2.505 178.466 176.094 -0.223 0.000 1.082 221 V CA 2.189 64.265 62.300 -0.374 0.000 1.101 221 V CB -0.783 30.711 31.823 -0.549 0.000 0.693 221 V HN 0.553 nan 8.190 nan 0.000 0.479 222 R N -0.401 120.000 120.500 -0.164 0.000 2.191 222 R HA 0.169 4.509 4.340 -0.000 0.000 0.196 222 R C 1.146 177.387 176.300 -0.098 0.000 0.991 222 R CA -0.309 55.730 56.100 -0.102 0.000 1.075 222 R CB -0.020 30.239 30.300 -0.069 0.000 1.040 222 R HN 0.484 nan 8.270 nan 0.000 0.526 223 R N 2.796 123.226 120.500 -0.116 0.000 2.583 223 R HA -0.035 4.305 4.340 -0.000 0.000 0.274 223 R C -0.933 175.307 176.300 -0.099 0.000 0.998 223 R CA 0.511 56.551 56.100 -0.100 0.000 1.081 223 R CB 0.290 30.524 30.300 -0.110 0.000 0.940 223 R HN 0.067 nan 8.270 nan 0.000 0.413 224 E N 2.480 122.638 120.200 -0.070 0.000 2.344 224 E HA 0.082 4.432 4.350 -0.000 0.000 0.270 224 E C -0.214 176.346 176.600 -0.066 0.000 1.021 224 E CA -0.415 55.950 56.400 -0.059 0.000 0.887 224 E CB 1.426 31.101 29.700 -0.041 0.000 0.997 224 E HN 0.545 nan 8.360 nan 0.000 0.429 225 V N 0.978 120.852 119.914 -0.066 0.000 2.328 225 V HA 0.300 4.420 4.120 -0.000 0.000 0.278 225 V C 0.206 176.271 176.094 -0.047 0.000 1.021 225 V CA -0.965 61.296 62.300 -0.066 0.000 0.838 225 V CB 0.809 32.586 31.823 -0.077 0.000 0.999 225 V HN 0.679 nan 8.190 nan 0.000 0.447 226 T N 4.972 119.498 114.554 -0.046 0.000 2.928 226 T HA 0.310 4.660 4.350 -0.000 0.000 0.305 226 T C -1.961 172.713 174.700 -0.043 0.000 1.035 226 T CA -0.878 61.198 62.100 -0.039 0.000 1.145 226 T CB 0.371 69.216 68.868 -0.038 0.000 0.963 226 T HN 0.801 nan 8.240 nan 0.000 0.545 227 P HA 0.182 nan 4.420 nan 0.000 0.263 227 P C 0.941 178.208 177.300 -0.054 0.000 1.175 227 P CA 0.719 63.796 63.100 -0.039 0.000 0.761 227 P CB 0.101 31.785 31.700 -0.027 0.000 0.794 228 G N 1.135 109.891 108.800 -0.074 0.000 2.131 228 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.201 228 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.201 228 G C -0.298 174.513 174.900 -0.148 0.000 1.000 228 G CA -0.300 44.741 45.100 -0.098 0.000 0.680 228 G HN 0.631 nan 8.290 nan 0.000 0.514 229 E N -0.648 119.444 120.200 -0.180 0.000 2.433 229 E HA 0.451 4.801 4.350 -0.000 0.000 0.278 229 E C -1.290 175.164 176.600 -0.242 0.000 0.976 229 E CA -1.077 55.196 56.400 -0.212 0.000 0.793 229 E CB 1.288 30.925 29.700 -0.105 0.000 1.311 229 E HN 0.250 nan 8.360 nan 0.000 0.460 230 H N 1.344 120.402 119.070 -0.019 0.000 2.467 230 H HA 0.199 4.755 4.556 -0.000 0.000 0.326 230 H C 0.806 176.109 175.328 -0.042 0.000 1.094 230 H CA -0.150 55.899 56.048 0.002 0.000 1.253 230 H CB 1.649 31.401 29.762 -0.018 0.000 1.439 230 H HN 0.574 nan 8.280 nan 0.000 0.479 231 R N 2.517 123.053 120.500 0.060 0.000 2.133 231 R HA -0.140 4.200 4.340 -0.000 0.000 0.247 231 R C 0.046 176.038 176.300 -0.514 0.000 1.151 231 R CA 1.589 57.506 56.100 -0.306 0.000 0.971 231 R CB 0.069 30.053 30.300 -0.528 0.000 0.866 231 R HN 0.347 nan 8.270 nan 0.000 0.447 232 F N 0.764 120.755 119.950 0.067 0.000 2.883 232 F HA 0.201 4.728 4.527 -0.000 0.000 0.312 232 F C 1.147 176.937 175.800 -0.018 0.000 1.246 232 F CA -0.680 57.342 58.000 0.037 0.000 1.238 232 F CB 0.518 39.580 39.000 0.103 0.000 1.195 232 F HN -0.001 nan 8.300 nan 0.000 0.526 233 E N 1.821 122.065 120.200 0.074 0.000 2.063 233 E HA -0.229 4.121 4.350 -0.000 0.000 0.221 233 E C 2.431 179.050 176.600 0.031 0.000 1.052 233 E CA 2.323 58.752 56.400 0.048 0.000 0.891 233 E CB -0.524 29.186 29.700 0.018 0.000 0.792 233 E HN 0.461 nan 8.360 nan 0.000 0.482 234 G N -2.051 106.770 108.800 0.036 0.000 2.603 234 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.214 234 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.214 234 G C 1.501 176.437 174.900 0.059 0.000 1.140 234 G CA 0.773 45.894 45.100 0.035 0.000 0.800 234 G HN 0.410 nan 8.290 nan 0.000 0.533 235 T N 0.214 114.829 114.554 0.102 0.000 3.148 235 T HA 0.075 4.425 4.350 -0.000 0.000 0.253 235 T C 1.889 176.688 174.700 0.165 0.000 1.134 235 T CA 0.756 62.941 62.100 0.141 0.000 1.051 235 T CB -0.275 68.712 68.868 0.198 0.000 0.959 235 T HN 0.468 nan 8.240 nan 0.000 0.525 236 E N 0.749 121.023 120.200 0.124 0.000 2.095 236 E HA -0.228 4.122 4.350 -0.000 0.000 0.212 236 E C 2.147 178.866 176.600 0.199 0.000 1.044 236 E CA 1.647 58.113 56.400 0.110 0.000 0.857 236 E CB -0.062 29.554 29.700 -0.140 0.000 0.764 236 E HN 0.525 nan 8.360 nan 0.000 0.462 237 E N 0.363 120.637 120.200 0.122 0.000 2.077 237 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 237 E C 2.226 178.886 176.600 0.100 0.000 0.989 237 E CA 0.563 57.030 56.400 0.110 0.000 0.800 237 E CB -0.212 29.531 29.700 0.071 0.000 0.746 237 E HN 0.361 nan 8.360 nan 0.000 0.452 238 I N 0.663 121.293 120.570 0.100 0.000 2.163 238 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 238 I C 2.550 178.725 176.117 0.097 0.000 1.085 238 I CA 0.741 62.097 61.300 0.093 0.000 1.347 238 I CB -0.185 37.878 38.000 0.104 0.000 1.044 238 I HN 0.111 nan 8.210 nan 0.000 0.408 239 L N 1.189 122.486 121.223 0.125 0.000 1.989 239 L HA -0.273 4.067 4.340 -0.000 0.000 0.211 239 L C 2.552 179.434 176.870 0.019 0.000 1.071 239 L CA 1.989 56.883 54.840 0.090 0.000 0.749 239 L CB -0.662 41.438 42.059 0.070 0.000 0.890 239 L HN 0.100 nan 8.230 nan 0.000 0.431 240 K N -0.882 119.538 120.400 0.034 0.000 2.063 240 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 240 K C 1.939 178.525 176.600 -0.023 0.000 1.048 240 K CA 1.496 57.765 56.287 -0.031 0.000 0.928 240 K CB -0.255 32.258 32.500 0.023 0.000 0.713 240 K HN 0.462 nan 8.250 nan 0.000 0.442 241 A N 1.611 124.438 122.820 0.012 0.000 1.858 241 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 241 A C 2.103 179.684 177.584 -0.005 0.000 1.190 241 A CA 1.270 53.312 52.037 0.007 0.000 0.617 241 A CB -0.465 18.550 19.000 0.024 0.000 0.827 241 A HN 0.236 nan 8.150 nan 0.000 0.443 242 R N -0.291 120.210 120.500 0.001 0.000 2.081 242 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 242 R C 2.002 178.271 176.300 -0.053 0.000 1.131 242 R CA 1.449 57.539 56.100 -0.016 0.000 0.960 242 R CB -0.902 29.401 30.300 0.005 0.000 0.856 242 R HN 0.668 nan 8.270 nan 0.000 0.436 243 I N 0.359 120.888 120.570 -0.068 0.000 2.286 243 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 243 I C 1.800 177.868 176.117 -0.083 0.000 1.104 243 I CA 0.727 61.964 61.300 -0.105 0.000 1.397 243 I CB -0.194 37.720 38.000 -0.143 0.000 1.072 243 I HN -0.001 nan 8.210 nan 0.000 0.417 244 L N 0.756 121.937 121.223 -0.070 0.000 2.201 244 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 244 L C 2.637 179.491 176.870 -0.026 0.000 1.105 244 L CA 1.584 56.392 54.840 -0.053 0.000 0.775 244 L CB -1.109 40.919 42.059 -0.052 0.000 0.913 244 L HN 0.164 nan 8.230 nan 0.000 0.440 245 A N -1.531 121.276 122.820 -0.022 0.000 1.908 245 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 245 A C 2.624 180.218 177.584 0.017 0.000 1.181 245 A CA 2.149 54.184 52.037 -0.005 0.000 0.627 245 A CB -0.880 18.112 19.000 -0.012 0.000 0.818 245 A HN 0.386 nan 8.150 nan 0.000 0.445 246 S N -0.706 114.993 115.700 -0.003 0.000 2.345 246 S HA -0.010 4.460 4.470 -0.000 0.000 0.220 246 S C 2.264 176.897 174.600 0.054 0.000 1.031 246 S CA 1.548 59.760 58.200 0.021 0.000 0.996 246 S CB -0.561 62.624 63.200 -0.024 0.000 0.882 246 S HN 0.855 nan 8.310 nan 0.000 0.445 247 A N 2.027 124.851 122.820 0.007 0.000 1.917 247 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 247 A C 2.163 179.763 177.584 0.026 0.000 1.182 247 A CA 2.106 54.144 52.037 0.002 0.000 0.633 247 A CB -0.883 18.097 19.000 -0.033 0.000 0.819 247 A HN 0.665 nan 8.150 nan 0.000 0.448 248 R N -1.396 119.124 120.500 0.033 0.000 2.083 248 R HA -0.254 4.086 4.340 -0.000 0.000 0.237 248 R C 2.185 178.542 176.300 0.094 0.000 1.137 248 R CA 2.212 58.340 56.100 0.046 0.000 0.951 248 R CB -0.568 29.751 30.300 0.031 0.000 0.851 248 R HN 0.728 nan 8.270 nan 0.000 0.434 249 H N 0.455 119.542 119.070 0.029 0.000 2.290 249 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 249 H C 1.962 177.347 175.328 0.094 0.000 1.087 249 H CA 2.404 58.491 56.048 0.064 0.000 1.291 249 H CB -0.064 29.718 29.762 0.034 0.000 1.369 249 H HN 0.068 nan 8.280 nan 0.000 0.492 250 K N 0.660 121.113 120.400 0.088 0.000 2.044 250 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 250 K C 2.274 178.851 176.600 -0.039 0.000 1.049 250 K CA 1.686 57.980 56.287 0.012 0.000 0.927 250 K CB -0.979 31.541 32.500 0.035 0.000 0.713 250 K HN 0.390 nan 8.250 nan 0.000 0.443 251 A N -0.496 122.318 122.820 -0.010 0.000 1.908 251 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 251 A C 2.255 179.822 177.584 -0.029 0.000 1.181 251 A CA 1.766 53.791 52.037 -0.022 0.000 0.627 251 A CB -1.038 17.960 19.000 -0.004 0.000 0.818 251 A HN 0.538 nan 8.150 nan 0.000 0.445 252 Y N 0.723 120.943 120.300 -0.134 0.000 2.089 252 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 252 Y C 2.457 178.253 175.900 -0.174 0.000 1.139 252 Y CA 2.034 60.045 58.100 -0.149 0.000 1.123 252 Y CB -0.586 37.769 38.460 -0.174 0.000 0.980 252 Y HN 0.065 nan 8.280 nan 0.000 0.493 253 V N -0.704 119.064 119.914 -0.243 0.000 2.282 253 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 253 V C 2.377 178.336 176.094 -0.225 0.000 1.057 253 V CA 1.958 64.098 62.300 -0.266 0.000 1.032 253 V CB -1.121 30.579 31.823 -0.206 0.000 0.645 253 V HN 0.363 nan 8.190 nan 0.000 0.447 254 V N -0.042 119.774 119.914 -0.163 0.000 2.688 254 V HA -0.206 3.914 4.120 -0.000 0.000 0.256 254 V C 2.262 178.269 176.094 -0.145 0.000 1.084 254 V CA 2.103 64.329 62.300 -0.124 0.000 1.103 254 V CB -0.568 31.204 31.823 -0.086 0.000 0.688 254 V HN 0.570 nan 8.190 nan 0.000 0.480 255 S N -0.611 114.967 115.700 -0.204 0.000 2.558 255 S HA 0.354 4.824 4.470 -0.000 0.000 0.217 255 S C 0.978 175.443 174.600 -0.225 0.000 0.975 255 S CA 0.448 58.528 58.200 -0.200 0.000 0.912 255 S CB -0.006 63.071 63.200 -0.206 0.000 0.776 255 S HN 0.609 nan 8.310 nan 0.000 0.526 262 G N 0.805 109.597 108.800 -0.013 0.000 2.848 262 G HA2 0.251 4.211 3.960 -0.000 0.000 0.208 262 G HA3 0.251 4.211 3.960 -0.000 0.000 0.208 262 G C 1.504 176.407 174.900 0.005 0.000 1.152 262 G CA 0.990 46.089 45.100 -0.002 0.000 0.789 262 G HN 0.444 nan 8.290 nan 0.000 0.531 263 L N -0.005 121.216 121.223 -0.003 0.000 2.240 263 L HA 0.211 4.551 4.340 -0.000 0.000 0.211 263 L C 2.727 179.603 176.870 0.011 0.000 1.106 263 L CA 1.092 55.938 54.840 0.010 0.000 0.793 263 L CB -0.110 41.944 42.059 -0.008 0.000 0.927 263 L HN 0.104 nan 8.230 nan 0.000 0.446 264 R N -0.895 119.598 120.500 -0.011 0.000 2.148 264 R HA -0.037 4.303 4.340 -0.000 0.000 0.223 264 R C 1.920 178.224 176.300 0.007 0.000 1.088 264 R CA 1.228 57.321 56.100 -0.013 0.000 0.985 264 R CB -0.427 29.856 30.300 -0.028 0.000 0.880 264 R HN 0.539 nan 8.270 nan 0.000 0.451 265 N N 0.684 119.394 118.700 0.017 0.000 2.166 265 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 265 N C 1.612 177.155 175.510 0.054 0.000 1.019 265 N CA 0.681 53.749 53.050 0.030 0.000 0.856 265 N CB -0.008 38.500 38.487 0.035 0.000 0.993 265 N HN 0.137 nan 8.380 nan 0.000 0.426 266 L N 0.914 122.177 121.223 0.067 0.000 2.191 266 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 266 L C 1.812 178.758 176.870 0.127 0.000 1.103 266 L CA 0.720 55.620 54.840 0.100 0.000 0.769 266 L CB -0.439 41.676 42.059 0.095 0.000 0.908 266 L HN 0.280 nan 8.230 nan 0.000 0.438 267 L N -0.137 121.136 121.223 0.084 0.000 2.549 267 L HA -0.133 4.207 4.340 -0.000 0.000 0.229 267 L C 1.714 178.529 176.870 -0.093 0.000 1.158 267 L CA 0.548 55.414 54.840 0.044 0.000 0.842 267 L CB -0.515 41.550 42.059 0.010 0.000 0.952 267 L HN 0.378 nan 8.230 nan 0.000 0.452 268 N N -0.901 117.774 118.700 -0.042 0.000 2.270 268 N HA -0.050 4.690 4.740 -0.000 0.000 0.198 268 N C 0.079 175.652 175.510 0.104 0.000 1.117 268 N CA -0.255 52.726 53.050 -0.115 0.000 0.845 268 N CB 0.280 38.747 38.487 -0.034 0.000 0.980 268 N HN 0.203 nan 8.380 nan 0.000 0.486 269 W N 1.305 122.610 121.300 0.009 0.000 2.257 269 W HA 0.195 4.855 4.660 -0.000 0.000 0.337 269 W C 1.414 178.008 176.519 0.125 0.000 1.321 269 W CA 1.469 58.848 57.345 0.056 0.000 1.267 269 W CB 0.080 29.564 29.460 0.041 0.000 1.187 269 W HN 0.317 nan 8.180 nan 0.000 0.565 270 G N 3.232 111.682 108.800 -0.583 0.000 2.245 270 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.264 270 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.264 270 G C 0.940 175.642 174.900 -0.329 0.000 0.985 270 G CA 0.835 45.561 45.100 -0.622 0.000 0.625 270 G HN 0.715 nan 8.290 nan 0.000 0.536 271 H N 0.591 119.476 119.070 -0.308 0.000 2.502 271 H HA 0.283 4.839 4.556 -0.000 0.000 0.283 271 H C 2.782 177.911 175.328 -0.332 0.000 1.015 271 H CA 1.549 57.355 56.048 -0.403 0.000 1.298 271 H CB 0.060 29.554 29.762 -0.446 0.000 1.411 271 H HN 0.440 nan 8.280 nan 0.000 0.556 272 S N -0.027 115.637 115.700 -0.060 0.000 2.344 272 S HA -0.113 4.357 4.470 -0.000 0.000 0.217 272 S C 2.192 176.778 174.600 -0.022 0.000 1.033 272 S CA 1.337 59.533 58.200 -0.007 0.000 1.017 272 S CB -0.178 63.034 63.200 0.020 0.000 0.941 272 S HN 0.303 nan 8.310 nan 0.000 0.430 273 I N 1.235 121.765 120.570 -0.067 0.000 2.286 273 I HA -0.069 4.101 4.170 -0.000 0.000 0.245 273 I C 2.743 178.805 176.117 -0.092 0.000 1.104 273 I CA 0.914 62.174 61.300 -0.067 0.000 1.397 273 I CB -1.087 36.861 38.000 -0.087 0.000 1.072 273 I HN 0.381 nan 8.210 nan 0.000 0.417 274 G N 0.307 109.001 108.800 -0.178 0.000 2.556 274 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 274 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 274 G C 1.463 176.308 174.900 -0.092 0.000 1.156 274 G CA 1.234 46.195 45.100 -0.232 0.000 0.766 274 G HN 0.461 nan 8.290 nan 0.000 0.583 275 H N 0.293 119.308 119.070 -0.091 0.000 2.353 275 H HA 0.050 4.606 4.556 -0.000 0.000 0.300 275 H C 3.000 178.303 175.328 -0.041 0.000 1.090 275 H CA 0.524 56.554 56.048 -0.030 0.000 1.327 275 H CB 0.105 29.877 29.762 0.017 0.000 1.383 275 H HN 0.452 nan 8.280 nan 0.000 0.508 276 A N 1.042 123.912 122.820 0.083 0.000 1.883 276 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 276 A C 2.371 179.955 177.584 0.000 0.000 1.186 276 A CA 1.452 53.501 52.037 0.019 0.000 0.624 276 A CB -0.697 18.306 19.000 0.005 0.000 0.822 276 A HN 0.329 nan 8.150 nan 0.000 0.444 277 I N -0.762 119.798 120.570 -0.017 0.000 2.226 277 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 277 I C 2.590 178.696 176.117 -0.018 0.000 1.100 277 I CA 1.855 63.135 61.300 -0.034 0.000 1.374 277 I CB -0.328 37.634 38.000 -0.063 0.000 1.057 277 I HN 0.556 nan 8.210 nan 0.000 0.413 278 E N 1.323 121.523 120.200 0.000 0.000 2.110 278 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 278 E C 2.238 178.842 176.600 0.007 0.000 0.988 278 E CA 1.198 57.608 56.400 0.016 0.000 0.804 278 E CB -0.029 29.714 29.700 0.073 0.000 0.745 278 E HN 0.477 nan 8.360 nan 0.000 0.458 279 A N 0.686 123.505 122.820 -0.003 0.000 2.024 279 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 279 A C 2.042 179.623 177.584 -0.005 0.000 1.164 279 A CA 1.311 53.336 52.037 -0.020 0.000 0.643 279 A CB -0.428 18.547 19.000 -0.040 0.000 0.806 279 A HN 0.363 nan 8.150 nan 0.000 0.451 280 I N -1.270 119.300 120.570 0.001 0.000 2.628 280 I HA -0.047 4.123 4.170 -0.000 0.000 0.255 280 I C 1.868 177.988 176.117 0.006 0.000 1.119 280 I CA 0.664 61.969 61.300 0.009 0.000 1.448 280 I CB -0.136 37.868 38.000 0.006 0.000 1.133 280 I HN 0.190 nan 8.210 nan 0.000 0.438 281 L N -0.279 120.943 121.223 -0.001 0.000 2.529 281 L HA 0.088 4.428 4.340 -0.000 0.000 0.223 281 L C 1.266 178.138 176.870 0.003 0.000 1.113 281 L CA 0.112 54.952 54.840 -0.001 0.000 0.861 281 L CB -0.370 41.683 42.059 -0.010 0.000 1.012 281 L HN 0.143 nan 8.230 nan 0.000 0.461 282 T N 1.221 115.778 114.554 0.005 0.000 2.860 282 T HA 0.142 4.492 4.350 -0.000 0.000 0.299 282 T C -1.486 173.217 174.700 0.006 0.000 1.045 282 T CA -1.121 60.983 62.100 0.008 0.000 1.071 282 T CB 1.105 69.978 68.868 0.008 0.000 0.985 282 T HN 0.031 nan 8.240 nan 0.000 0.537 283 P HA 0.123 nan 4.420 nan 0.000 0.255 283 P C 0.604 177.910 177.300 0.010 0.000 1.248 283 P CA 0.211 63.316 63.100 0.008 0.000 0.807 283 P CB 0.429 32.132 31.700 0.005 0.000 1.150 284 Q N -0.032 119.774 119.800 0.010 0.000 2.084 284 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 284 Q C 1.020 177.026 176.000 0.010 0.000 0.978 284 Q CA 1.139 56.949 55.803 0.010 0.000 0.844 284 Q CB -0.299 28.445 28.738 0.009 0.000 0.898 284 Q HN 0.275 nan 8.270 nan 0.000 0.426 285 I N 1.033 121.608 120.570 0.008 0.000 2.392 285 I HA 0.202 4.372 4.170 -0.000 0.000 0.295 285 I C 0.112 176.237 176.117 0.012 0.000 0.985 285 I CA -0.810 60.493 61.300 0.005 0.000 1.221 285 I CB 0.756 38.752 38.000 -0.007 0.000 1.366 285 I HN 0.096 nan 8.210 nan 0.000 0.467 286 L N 4.099 125.331 121.223 0.015 0.000 2.453 286 L HA 0.159 4.499 4.340 -0.000 0.000 0.261 286 L C 1.759 178.651 176.870 0.037 0.000 1.179 286 L CA -0.442 54.418 54.840 0.034 0.000 0.813 286 L CB 0.194 42.273 42.059 0.034 0.000 1.110 286 L HN 0.612 nan 8.230 nan 0.000 0.466 287 H N 1.764 120.821 119.070 -0.022 0.000 2.265 287 H HA -0.176 4.380 4.556 -0.000 0.000 0.295 287 H C 1.790 177.077 175.328 -0.068 0.000 1.084 287 H CA 2.194 58.223 56.048 -0.032 0.000 1.261 287 H CB -0.278 29.481 29.762 -0.005 0.000 1.360 287 H HN 0.774 nan 8.280 nan 0.000 0.487 288 G N -0.029 108.675 108.800 -0.159 0.000 2.469 288 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 288 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 288 G C 1.585 176.366 174.900 -0.199 0.000 1.150 288 G CA 1.045 46.014 45.100 -0.218 0.000 0.763 288 G HN 0.611 nan 8.290 nan 0.000 0.561 289 E N -0.523 119.608 120.200 -0.115 0.000 2.118 289 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 289 E C 2.592 179.114 176.600 -0.129 0.000 0.992 289 E CA 1.134 57.481 56.400 -0.088 0.000 0.804 289 E CB -0.252 29.424 29.700 -0.041 0.000 0.741 289 E HN 0.472 nan 8.360 nan 0.000 0.458 290 C N 0.188 119.388 119.300 -0.167 0.000 2.457 290 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 290 C C 2.730 177.552 174.990 -0.279 0.000 1.309 290 C CA 0.057 58.966 59.018 -0.181 0.000 1.735 290 C CB -0.504 27.152 27.740 -0.140 0.000 1.992 290 C HN 0.255 nan 8.230 nan 0.000 0.493 291 V N 1.527 121.183 119.914 -0.430 0.000 2.407 291 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 291 V C 2.703 178.577 176.094 -0.366 0.000 1.055 291 V CA 2.074 64.058 62.300 -0.526 0.000 1.049 291 V CB -1.199 30.186 31.823 -0.729 0.000 0.662 291 V HN 0.589 nan 8.190 nan 0.000 0.455 292 A N 0.353 123.017 122.820 -0.260 0.000 1.873 292 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 292 A C 2.140 179.616 177.584 -0.180 0.000 1.193 292 A CA 2.226 54.156 52.037 -0.179 0.000 0.629 292 A CB -0.602 18.337 19.000 -0.102 0.000 0.826 292 A HN 0.517 nan 8.150 nan 0.000 0.447 293 I N -0.319 120.155 120.570 -0.161 0.000 2.454 293 I HA -0.177 3.993 4.170 -0.000 0.000 0.254 293 I C 2.589 178.597 176.117 -0.181 0.000 1.156 293 I CA 0.917 62.135 61.300 -0.137 0.000 1.433 293 I CB -0.636 37.298 38.000 -0.110 0.000 1.082 293 I HN 0.417 nan 8.210 nan 0.000 0.432 294 G N 0.891 109.543 108.800 -0.247 0.000 2.402 294 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 294 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 294 G C 1.736 176.398 174.900 -0.396 0.000 1.162 294 G CA 0.399 45.325 45.100 -0.290 0.000 0.777 294 G HN 0.214 nan 8.290 nan 0.000 0.539 295 M N 0.076 119.357 119.600 -0.531 0.000 2.132 295 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 295 M C 2.684 178.744 176.300 -0.400 0.000 1.065 295 M CA 0.847 55.630 55.300 -0.862 0.000 1.122 295 M CB -0.359 31.666 32.600 -0.957 0.000 1.365 295 M HN 0.088 nan 8.290 nan 0.000 0.411 296 V N 0.862 120.651 119.914 -0.207 0.000 2.332 296 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 296 V C 2.322 178.390 176.094 -0.045 0.000 1.055 296 V CA 1.833 64.093 62.300 -0.067 0.000 1.038 296 V CB -0.735 31.059 31.823 -0.048 0.000 0.651 296 V HN 0.451 nan 8.190 nan 0.000 0.450 297 K N -0.352 119.997 120.400 -0.086 0.000 2.062 297 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 297 K C 2.140 178.728 176.600 -0.020 0.000 1.051 297 K CA 1.324 57.580 56.287 -0.051 0.000 0.941 297 K CB -0.195 32.264 32.500 -0.069 0.000 0.719 297 K HN 0.524 nan 8.250 nan 0.000 0.440 298 E N 0.701 120.867 120.200 -0.056 0.000 2.204 298 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 298 E C 1.923 178.626 176.600 0.172 0.000 0.990 298 E CA 0.858 57.279 56.400 0.036 0.000 0.821 298 E CB -0.021 29.657 29.700 -0.037 0.000 0.750 298 E HN 0.299 nan 8.360 nan 0.000 0.477 299 A N 1.282 124.216 122.820 0.191 0.000 1.897 299 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 299 A C 1.889 179.548 177.584 0.125 0.000 1.181 299 A CA 1.183 53.368 52.037 0.247 0.000 0.620 299 A CB -0.283 18.883 19.000 0.275 0.000 0.821 299 A HN 0.133 nan 8.150 nan 0.000 0.443 300 E N -0.760 119.490 120.200 0.083 0.000 2.153 300 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 300 E C 1.886 178.535 176.600 0.082 0.000 0.988 300 E CA 1.151 57.588 56.400 0.062 0.000 0.811 300 E CB -0.205 29.514 29.700 0.031 0.000 0.746 300 E HN 0.514 nan 8.360 nan 0.000 0.466 301 L N 0.668 121.942 121.223 0.084 0.000 2.056 301 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 301 L C 2.179 179.099 176.870 0.083 0.000 1.078 301 L CA 1.741 56.646 54.840 0.108 0.000 0.749 301 L CB -0.412 41.698 42.059 0.086 0.000 0.901 301 L HN 0.012 nan 8.230 nan 0.000 0.433 302 A N -0.359 122.496 122.820 0.059 0.000 1.902 302 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 302 A C 2.538 180.101 177.584 -0.036 0.000 1.181 302 A CA 1.790 53.819 52.037 -0.014 0.000 0.623 302 A CB -0.653 18.352 19.000 0.008 0.000 0.818 302 A HN 0.503 nan 8.150 nan 0.000 0.443 303 R N -1.203 119.307 120.500 0.018 0.000 2.070 303 R HA -0.232 4.108 4.340 -0.000 0.000 0.233 303 R C 2.247 178.563 176.300 0.027 0.000 1.137 303 R CA 2.057 58.166 56.100 0.015 0.000 0.945 303 R CB -0.561 29.762 30.300 0.039 0.000 0.845 303 R HN 0.714 nan 8.270 nan 0.000 0.430 304 H N 0.842 119.899 119.070 -0.023 0.000 2.319 304 H HA -0.112 4.444 4.556 -0.000 0.000 0.297 304 H C 1.669 176.976 175.328 -0.034 0.000 1.097 304 H CA 2.116 58.151 56.048 -0.022 0.000 1.285 304 H CB -0.410 29.343 29.762 -0.014 0.000 1.368 304 H HN 0.238 nan 8.280 nan 0.000 0.495 305 L N -0.384 120.658 121.223 -0.301 0.000 2.622 305 L HA 0.098 4.438 4.340 -0.000 0.000 0.233 305 L C 1.692 178.412 176.870 -0.250 0.000 1.156 305 L CA 0.596 55.221 54.840 -0.360 0.000 0.866 305 L CB -0.398 41.514 42.059 -0.245 0.000 0.980 305 L HN 0.698 nan 8.230 nan 0.000 0.448 306 G N 0.054 108.747 108.800 -0.179 0.000 2.143 306 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 306 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 306 G C 0.741 175.560 174.900 -0.135 0.000 0.991 306 G CA 0.352 45.377 45.100 -0.126 0.000 0.689 306 G HN 0.282 nan 8.290 nan 0.000 0.522 307 I N -1.210 119.247 120.570 -0.189 0.000 3.035 307 I HA 0.356 4.526 4.170 -0.000 0.000 0.271 307 I C 1.047 177.088 176.117 -0.127 0.000 1.190 307 I CA 0.406 61.566 61.300 -0.234 0.000 1.472 307 I CB -0.363 37.346 38.000 -0.485 0.000 1.116 307 I HN 0.260 nan 8.210 nan 0.000 0.443 308 L N 1.301 122.469 121.223 -0.092 0.000 2.346 308 L HA 0.448 4.788 4.340 -0.000 0.000 0.276 308 L C -0.036 176.813 176.870 -0.035 0.000 1.006 308 L CA -0.422 54.385 54.840 -0.056 0.000 0.817 308 L CB 1.304 43.342 42.059 -0.036 0.000 1.272 308 L HN -0.170 nan 8.230 nan 0.000 0.421 309 K N 2.335 122.715 120.400 -0.032 0.000 2.202 309 K HA 0.324 4.644 4.320 -0.000 0.000 0.264 309 K C 1.015 177.610 176.600 -0.009 0.000 1.010 309 K CA 0.491 56.766 56.287 -0.020 0.000 0.940 309 K CB 1.157 33.644 32.500 -0.022 0.000 0.983 309 K HN 0.872 nan 8.250 nan 0.000 0.475 310 G N 0.969 109.769 108.800 -0.000 0.000 2.446 310 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 310 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 310 G C 1.448 176.354 174.900 0.010 0.000 1.168 310 G CA 0.677 45.783 45.100 0.009 0.000 0.771 310 G HN 0.355 nan 8.290 nan 0.000 0.551 311 V N 1.594 121.510 119.914 0.004 0.000 2.332 311 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 311 V C 3.345 179.439 176.094 0.001 0.000 1.055 311 V CA 2.150 64.454 62.300 0.006 0.000 1.038 311 V CB -0.930 30.893 31.823 0.001 0.000 0.651 311 V HN 0.511 nan 8.190 nan 0.000 0.450 312 A N -0.233 122.575 122.820 -0.020 0.000 1.865 312 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 312 A C 2.395 179.970 177.584 -0.016 0.000 1.191 312 A CA 2.264 54.271 52.037 -0.051 0.000 0.623 312 A CB -0.846 18.109 19.000 -0.075 0.000 0.826 312 A HN 0.336 nan 8.150 nan 0.000 0.444 313 V N 0.095 120.018 119.914 0.015 0.000 2.324 313 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 313 V C 2.806 178.940 176.094 0.067 0.000 1.060 313 V CA 2.410 64.742 62.300 0.052 0.000 1.042 313 V CB -0.899 30.953 31.823 0.048 0.000 0.650 313 V HN 0.581 nan 8.190 nan 0.000 0.450 314 S N -0.497 115.235 115.700 0.054 0.000 2.356 314 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 314 S C 2.079 176.738 174.600 0.097 0.000 1.032 314 S CA 1.575 59.814 58.200 0.064 0.000 1.005 314 S CB -0.318 62.910 63.200 0.048 0.000 0.867 314 S HN 0.566 nan 8.310 nan 0.000 0.449 315 R N 0.661 121.228 120.500 0.112 0.000 2.081 315 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 315 R C 2.115 178.610 176.300 0.325 0.000 1.131 315 R CA 1.170 57.391 56.100 0.201 0.000 0.960 315 R CB -0.525 29.894 30.300 0.199 0.000 0.856 315 R HN 0.325 nan 8.270 nan 0.000 0.436 316 I N 0.574 121.307 120.570 0.271 0.000 2.091 316 I HA -0.260 3.910 4.170 -0.000 0.000 0.239 316 I C 2.434 178.712 176.117 0.267 0.000 1.061 316 I CA 1.532 63.051 61.300 0.364 0.000 1.317 316 I CB -1.219 36.949 38.000 0.280 0.000 1.031 316 I HN -0.023 nan 8.210 nan 0.000 0.401 317 V N 1.299 121.312 119.914 0.167 0.000 2.255 317 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 317 V C 2.643 178.802 176.094 0.108 0.000 1.051 317 V CA 1.704 64.070 62.300 0.109 0.000 1.018 317 V CB -0.796 31.070 31.823 0.072 0.000 0.641 317 V HN 0.370 nan 8.190 nan 0.000 0.445 318 K N -0.401 120.067 120.400 0.114 0.000 2.032 318 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 318 K C 2.320 178.970 176.600 0.082 0.000 1.048 318 K CA 1.897 58.235 56.287 0.086 0.000 0.927 318 K CB -1.286 31.266 32.500 0.087 0.000 0.712 318 K HN 0.584 nan 8.250 nan 0.000 0.441 319 C N 1.339 120.723 119.300 0.140 0.000 2.440 319 C HA -0.021 4.439 4.460 -0.000 0.000 0.278 319 C C 2.742 177.823 174.990 0.152 0.000 1.295 319 C CA 0.334 59.406 59.018 0.090 0.000 1.738 319 C CB -1.042 26.705 27.740 0.013 0.000 1.987 319 C HN 0.352 nan 8.230 nan 0.000 0.492 320 L N 1.015 122.335 121.223 0.161 0.000 2.027 320 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 320 L C 3.055 180.001 176.870 0.127 0.000 1.074 320 L CA 1.581 56.514 54.840 0.154 0.000 0.745 320 L CB -0.903 41.216 42.059 0.100 0.000 0.898 320 L HN 0.400 nan 8.230 nan 0.000 0.433 321 A N 0.351 123.218 122.820 0.077 0.000 1.883 321 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 321 A C 2.548 180.143 177.584 0.018 0.000 1.186 321 A CA 1.894 53.958 52.037 0.045 0.000 0.624 321 A CB -0.907 18.110 19.000 0.028 0.000 0.822 321 A HN 0.404 nan 8.150 nan 0.000 0.444 322 A N -1.928 120.874 122.820 -0.030 0.000 1.997 322 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 322 A C 1.861 179.292 177.584 -0.255 0.000 1.172 322 A CA 1.906 53.842 52.037 -0.167 0.000 0.645 322 A CB -0.742 18.100 19.000 -0.263 0.000 0.813 322 A HN 0.649 nan 8.150 nan 0.000 0.454 323 Y N -1.449 118.866 120.300 0.025 0.000 2.457 323 Y HA 0.374 4.924 4.550 -0.000 0.000 0.263 323 Y C 1.756 177.694 175.900 0.063 0.000 1.164 323 Y CA 0.180 58.313 58.100 0.054 0.000 1.274 323 Y CB 0.207 38.703 38.460 0.060 0.000 1.097 323 Y HN 0.461 nan 8.280 nan 0.000 0.523 324 G N 0.336 109.218 108.800 0.137 0.000 2.141 324 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 324 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 324 G C -0.117 174.838 174.900 0.091 0.000 0.984 324 G CA -0.212 44.949 45.100 0.101 0.000 0.660 324 G HN 0.211 nan 8.290 nan 0.000 0.525 325 L N 2.028 123.309 121.223 0.096 0.000 2.334 325 L HA 0.467 4.807 4.340 -0.000 0.000 0.277 325 L C -1.381 175.507 176.870 0.029 0.000 1.075 325 L CA -2.205 52.669 54.840 0.057 0.000 0.804 325 L CB 1.311 43.402 42.059 0.054 0.000 1.174 325 L HN -0.029 nan 8.230 nan 0.000 0.438 326 P HA 0.072 nan 4.420 nan 0.000 0.271 326 P C 0.000 177.291 177.300 -0.016 0.000 1.216 326 P CA -0.228 62.869 63.100 -0.006 0.000 0.776 326 P CB 1.094 32.784 31.700 -0.017 0.000 0.881 327 T N -2.201 112.347 114.554 -0.010 0.000 3.010 327 T HA 0.191 4.541 4.350 -0.000 0.000 0.257 327 T C 0.633 175.318 174.700 -0.025 0.000 1.020 327 T CA -0.061 62.030 62.100 -0.014 0.000 0.938 327 T CB -0.187 68.686 68.868 0.007 0.000 1.049 327 T HN 0.572 nan 8.240 nan 0.000 0.522 328 S N 0.093 115.779 115.700 -0.025 0.000 2.556 328 S HA 0.583 5.053 4.470 -0.000 0.000 0.271 328 S C 0.444 175.025 174.600 -0.033 0.000 1.135 328 S CA -1.009 57.174 58.200 -0.029 0.000 0.858 328 S CB 1.190 64.380 63.200 -0.017 0.000 1.114 328 S HN 0.090 nan 8.310 nan 0.000 0.468 329 L N 0.672 121.869 121.223 -0.042 0.000 2.353 329 L HA 0.015 4.354 4.340 -0.000 0.000 0.220 329 L C 1.970 178.823 176.870 -0.028 0.000 1.133 329 L CA 0.768 55.580 54.840 -0.048 0.000 0.798 329 L CB -0.417 41.598 42.059 -0.074 0.000 0.922 329 L HN 0.615 nan 8.230 nan 0.000 0.445 330 K N -0.235 120.155 120.400 -0.017 0.000 2.426 330 K HA 0.020 4.340 4.320 -0.000 0.000 0.193 330 K C 0.443 177.043 176.600 -0.000 0.000 1.028 330 K CA -0.017 56.269 56.287 -0.002 0.000 1.047 330 K CB -0.363 32.138 32.500 0.002 0.000 0.821 330 K HN 0.307 nan 8.250 nan 0.000 0.513 331 D N 0.562 120.959 120.400 -0.005 0.000 2.515 331 D HA -0.128 4.512 4.640 -0.000 0.000 0.230 331 D C 0.923 177.225 176.300 0.003 0.000 1.181 331 D CA 0.514 54.514 54.000 -0.001 0.000 0.875 331 D CB 1.036 41.833 40.800 -0.005 0.000 1.213 331 D HN 0.103 nan 8.370 nan 0.000 0.478 332 A N 5.108 127.931 122.820 0.005 0.000 1.825 332 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 332 A C 2.275 179.863 177.584 0.007 0.000 1.206 332 A CA 1.626 53.667 52.037 0.006 0.000 0.609 332 A CB -0.402 18.602 19.000 0.007 0.000 0.851 332 A HN 0.783 nan 8.150 nan 0.000 0.445 333 R N -0.302 120.203 120.500 0.007 0.000 2.168 333 R HA -0.234 4.106 4.340 -0.000 0.000 0.242 333 R C 2.045 178.350 176.300 0.007 0.000 1.123 333 R CA 2.211 58.316 56.100 0.008 0.000 0.928 333 R CB -0.934 29.372 30.300 0.010 0.000 0.873 333 R HN 0.633 nan 8.270 nan 0.000 0.434 334 I N 0.284 120.856 120.570 0.004 0.000 2.087 334 I HA -0.384 3.786 4.170 -0.000 0.000 0.240 334 I C 2.575 178.694 176.117 0.005 0.000 1.054 334 I CA 1.692 62.992 61.300 0.001 0.000 1.311 334 I CB -0.479 37.517 38.000 -0.007 0.000 1.024 334 I HN 0.232 nan 8.210 nan 0.000 0.402 335 R N 0.437 120.940 120.500 0.006 0.000 2.139 335 R HA -0.221 4.119 4.340 -0.000 0.000 0.243 335 R C 2.337 178.645 176.300 0.013 0.000 1.145 335 R CA 1.536 57.643 56.100 0.012 0.000 0.976 335 R CB -0.248 30.061 30.300 0.014 0.000 0.866 335 R HN 0.402 nan 8.270 nan 0.000 0.449 336 K N 0.879 121.285 120.400 0.010 0.000 2.021 336 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 336 K C 1.952 178.559 176.600 0.010 0.000 1.047 336 K CA 0.769 57.062 56.287 0.010 0.000 0.943 336 K CB 0.036 32.541 32.500 0.009 0.000 0.725 336 K HN 0.076 nan 8.250 nan 0.000 0.439 337 L N 1.022 122.251 121.223 0.010 0.000 2.261 337 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 337 L C 1.582 178.458 176.870 0.011 0.000 1.114 337 L CA 1.517 56.363 54.840 0.010 0.000 0.777 337 L CB -0.390 41.675 42.059 0.010 0.000 0.910 337 L HN 0.404 nan 8.230 nan 0.000 0.440 338 T N -3.753 110.808 114.554 0.011 0.000 3.293 338 T HA 0.536 4.886 4.350 -0.000 0.000 0.276 338 T C 0.812 175.523 174.700 0.017 0.000 1.003 338 T CA 0.063 62.171 62.100 0.013 0.000 0.916 338 T CB 0.497 69.372 68.868 0.012 0.000 1.134 338 T HN 0.216 nan 8.240 nan 0.000 0.530 339 A N 0.606 123.435 122.820 0.015 0.000 2.500 339 A HA 0.132 4.452 4.320 -0.000 0.000 0.296 339 A C 1.778 179.375 177.584 0.022 0.000 1.469 339 A CA 0.982 53.029 52.037 0.016 0.000 0.793 339 A CB -2.211 16.797 19.000 0.014 0.000 1.042 339 A HN 2.322 nan 8.150 nan 0.000 0.409 340 G N -1.447 107.368 108.800 0.025 0.000 2.221 340 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.265 340 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.265 340 G C 0.157 175.091 174.900 0.056 0.000 1.041 340 G CA 1.083 46.205 45.100 0.037 0.000 0.807 340 G HN 1.319 nan 8.290 nan 0.000 0.502 341 K N -0.028 120.401 120.400 0.048 0.000 2.397 341 K HA 0.227 4.547 4.320 -0.000 0.000 0.265 341 K C 0.178 176.841 176.600 0.105 0.000 0.982 341 K CA -0.175 56.150 56.287 0.063 0.000 0.931 341 K CB 0.201 32.723 32.500 0.037 0.000 0.943 341 K HN 0.411 nan 8.250 nan 0.000 0.501 342 H N 2.660 121.733 119.070 0.005 0.000 2.667 342 H HA 0.276 4.832 4.556 -0.000 0.000 0.353 342 H C -1.411 173.922 175.328 0.009 0.000 1.072 342 H CA -0.758 55.293 56.048 0.005 0.000 1.214 342 H CB 1.031 30.795 29.762 0.004 0.000 1.600 342 H HN 0.629 nan 8.280 nan 0.000 0.527 343 C N 5.180 124.206 119.300 -0.455 0.000 2.125 343 C HA 0.198 4.658 4.460 -0.000 0.000 0.355 343 C C 1.059 175.851 174.990 -0.331 0.000 1.047 343 C CA -0.777 58.080 59.018 -0.268 0.000 1.501 343 C CB -1.855 25.777 27.740 -0.180 0.000 1.783 343 C HN 0.708 nan 8.230 nan 0.000 0.455 344 S N 1.441 117.097 115.700 -0.073 0.000 2.558 344 S HA 0.068 4.538 4.470 -0.000 0.000 0.291 344 S C 1.067 175.681 174.600 0.023 0.000 1.306 344 S CA -0.340 57.916 58.200 0.094 0.000 1.056 344 S CB 0.669 63.974 63.200 0.174 0.000 0.836 344 S HN 0.512 nan 8.310 nan 0.000 0.504 345 V N 2.189 122.124 119.914 0.034 0.000 2.688 345 V HA -0.148 3.972 4.120 -0.000 0.000 0.256 345 V C 1.762 177.879 176.094 0.038 0.000 1.084 345 V CA 2.222 64.534 62.300 0.019 0.000 1.103 345 V CB -1.013 30.822 31.823 0.019 0.000 0.688 345 V HN 0.837 nan 8.190 nan 0.000 0.480 346 D N -0.778 119.654 120.400 0.053 0.000 2.144 346 D HA -0.108 4.532 4.640 -0.000 0.000 0.207 346 D C 2.138 178.500 176.300 0.102 0.000 0.970 346 D CA 0.884 54.921 54.000 0.062 0.000 0.853 346 D CB -0.406 40.418 40.800 0.040 0.000 1.007 346 D HN 0.336 nan 8.370 nan 0.000 0.469 347 Q N 0.547 120.411 119.800 0.106 0.000 2.197 347 Q HA -0.090 4.250 4.340 -0.000 0.000 0.207 347 Q C 1.974 178.072 176.000 0.163 0.000 0.984 347 Q CA 1.112 57.017 55.803 0.169 0.000 0.869 347 Q CB -0.392 28.423 28.738 0.128 0.000 0.906 347 Q HN 0.305 nan 8.270 nan 0.000 0.426 348 L N -1.065 120.209 121.223 0.086 0.000 2.027 348 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 348 L C 2.233 179.142 176.870 0.064 0.000 1.074 348 L CA 0.889 55.758 54.840 0.049 0.000 0.745 348 L CB -0.398 41.667 42.059 0.010 0.000 0.898 348 L HN 0.320 nan 8.230 nan 0.000 0.433 349 M N -1.189 118.461 119.600 0.084 0.000 2.374 349 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 349 M C 2.240 178.629 176.300 0.148 0.000 1.067 349 M CA 1.482 56.836 55.300 0.090 0.000 1.103 349 M CB -0.985 31.663 32.600 0.081 0.000 1.402 349 M HN 0.211 nan 8.290 nan 0.000 0.444 350 F N 1.728 121.684 119.950 0.010 0.000 2.098 350 F HA -0.112 4.415 4.527 -0.000 0.000 0.294 350 F C 1.862 177.669 175.800 0.011 0.000 1.107 350 F CA 1.529 59.535 58.000 0.011 0.000 1.234 350 F CB -0.867 38.138 39.000 0.009 0.000 1.002 350 F HN 0.243 nan 8.300 nan 0.000 0.472 351 N N 0.067 118.665 118.700 -0.170 0.000 2.069 351 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 351 N C 1.990 177.403 175.510 -0.162 0.000 1.031 351 N CA 1.700 54.583 53.050 -0.278 0.000 0.852 351 N CB -0.303 38.115 38.487 -0.114 0.000 1.018 351 N HN 0.290 nan 8.380 nan 0.000 0.423 352 M N 0.395 119.963 119.600 -0.053 0.000 2.337 352 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 352 M C 1.954 178.241 176.300 -0.022 0.000 1.067 352 M CA 0.990 56.283 55.300 -0.012 0.000 1.074 352 M CB -0.188 32.422 32.600 0.017 0.000 1.395 352 M HN 0.303 nan 8.290 nan 0.000 0.431 353 A N -0.405 122.385 122.820 -0.049 0.000 2.081 353 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 353 A C 1.820 179.352 177.584 -0.086 0.000 1.158 353 A CA 0.270 52.288 52.037 -0.031 0.000 0.724 353 A CB -0.417 18.601 19.000 0.029 0.000 0.826 353 A HN 0.441 nan 8.150 nan 0.000 0.463 354 L N 0.237 121.341 121.223 -0.198 0.000 2.642 354 L HA -0.078 4.262 4.340 -0.000 0.000 0.236 354 L C -0.091 176.710 176.870 -0.115 0.000 1.169 354 L CA 0.271 54.983 54.840 -0.214 0.000 0.851 354 L CB -0.650 41.202 42.059 -0.346 0.000 0.968 354 L HN 0.333 nan 8.230 nan 0.000 0.453 362 K N -0.076 120.344 120.400 0.035 0.000 2.508 362 K HA 0.675 4.995 4.320 -0.000 0.000 0.260 362 K C -1.153 175.470 176.600 0.038 0.000 0.949 362 K CA -0.686 55.623 56.287 0.037 0.000 0.834 362 K CB 2.649 35.171 32.500 0.036 0.000 1.365 362 K HN -0.091 nan 8.250 nan 0.000 0.437 363 K N 1.366 121.791 120.400 0.042 0.000 2.156 363 K HA 0.372 4.692 4.320 -0.000 0.000 0.254 363 K C -0.909 175.720 176.600 0.048 0.000 0.950 363 K CA -0.545 55.768 56.287 0.043 0.000 0.849 363 K CB 1.300 33.826 32.500 0.043 0.000 1.100 363 K HN 0.258 nan 8.250 nan 0.000 0.434 364 K N 2.279 122.709 120.400 0.050 0.000 2.211 364 K HA 0.509 4.829 4.320 -0.000 0.000 0.275 364 K C -0.589 176.052 176.600 0.068 0.000 1.024 364 K CA -0.334 55.988 56.287 0.058 0.000 0.887 364 K CB 0.711 33.242 32.500 0.052 0.000 1.084 364 K HN 0.467 nan 8.250 nan 0.000 0.463 365 I N 2.239 122.859 120.570 0.083 0.000 2.722 365 I HA 0.192 4.362 4.170 -0.000 0.000 0.295 365 I C -0.535 175.666 176.117 0.140 0.000 1.161 365 I CA -1.324 60.039 61.300 0.104 0.000 1.032 365 I CB 2.323 40.380 38.000 0.094 0.000 1.244 365 I HN 0.165 nan 8.210 nan 0.000 0.421 366 V N 6.214 126.246 119.914 0.196 0.000 2.427 366 V HA 0.256 4.376 4.120 -0.000 0.000 0.268 366 V C 0.156 176.408 176.094 0.263 0.000 1.046 366 V CA -0.067 62.371 62.300 0.230 0.000 0.970 366 V CB 0.490 32.499 31.823 0.310 0.000 1.001 366 V HN 0.386 nan 8.190 nan 0.000 0.476 367 L N 6.117 127.432 121.223 0.154 0.000 2.331 367 L HA 0.620 4.960 4.340 -0.000 0.000 0.275 367 L C -0.407 176.465 176.870 0.004 0.000 1.022 367 L CA -0.570 54.327 54.840 0.095 0.000 0.812 367 L CB 1.710 43.786 42.059 0.028 0.000 1.257 367 L HN 0.383 nan 8.230 nan 0.000 0.435 368 L N 1.276 122.453 121.223 -0.078 0.000 2.322 368 L HA 0.314 4.654 4.340 -0.000 0.000 0.281 368 L C 0.924 177.742 176.870 -0.087 0.000 1.014 368 L CA -0.254 54.487 54.840 -0.165 0.000 0.815 368 L CB 2.149 43.986 42.059 -0.372 0.000 1.247 368 L HN 0.803 nan 8.230 nan 0.000 0.421 369 S N 1.338 117.019 115.700 -0.032 0.000 2.501 369 S HA 0.438 4.908 4.470 -0.000 0.000 0.220 369 S C 0.458 175.026 174.600 -0.054 0.000 0.997 369 S CA 0.235 58.434 58.200 -0.002 0.000 0.919 369 S CB 0.424 63.690 63.200 0.109 0.000 0.778 369 S HN 0.734 nan 8.310 nan 0.000 0.523 370 A N 0.272 123.029 122.820 -0.105 0.000 2.569 370 A HA 0.539 4.859 4.320 -0.000 0.000 0.292 370 A C -1.011 176.445 177.584 -0.213 0.000 1.032 370 A CA -0.994 50.963 52.037 -0.133 0.000 0.669 370 A CB 0.013 18.955 19.000 -0.096 0.000 1.290 370 A HN 0.304 nan 8.150 nan 0.000 0.422 371 I N 1.774 122.186 120.570 -0.263 0.000 2.742 371 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 371 I C 1.564 177.509 176.117 -0.287 0.000 1.186 371 I CA 2.126 63.191 61.300 -0.390 0.000 1.417 371 I CB 0.294 37.953 38.000 -0.568 0.000 1.377 371 I HN 1.567 nan 8.210 nan 0.000 0.556 372 G N 4.133 112.761 108.800 -0.287 0.000 2.217 372 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 372 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 372 G C 0.354 175.159 174.900 -0.159 0.000 0.990 372 G CA 0.059 45.047 45.100 -0.187 0.000 0.627 372 G HN 0.551 nan 8.290 nan 0.000 0.522 373 T N 3.082 117.533 114.554 -0.171 0.000 2.864 373 T HA 0.565 4.915 4.350 -0.000 0.000 0.310 373 T C -2.782 171.845 174.700 -0.122 0.000 1.040 373 T CA -0.961 61.067 62.100 -0.120 0.000 0.977 373 T CB 2.756 71.574 68.868 -0.084 0.000 0.976 373 T HN 0.063 nan 8.240 nan 0.000 0.459 374 P HA 0.120 nan 4.420 nan 0.000 0.271 374 P C 0.193 177.498 177.300 0.009 0.000 1.216 374 P CA -0.481 62.571 63.100 -0.080 0.000 0.776 374 P CB 0.621 32.281 31.700 -0.066 0.000 0.881 375 Y N 3.519 123.766 120.300 -0.089 0.000 2.049 375 Y HA -0.147 4.403 4.550 -0.000 0.000 0.277 375 Y C 0.689 176.566 175.900 -0.040 0.000 1.143 375 Y CA 1.736 59.801 58.100 -0.057 0.000 1.115 375 Y CB -0.036 38.400 38.460 -0.041 0.000 0.975 375 Y HN 0.374 nan 8.280 nan 0.000 0.487 376 E N -1.149 118.996 120.200 -0.092 0.000 2.249 376 E HA 0.212 4.562 4.350 -0.000 0.000 0.263 376 E C 0.213 176.775 176.600 -0.064 0.000 0.950 376 E CA 0.143 56.436 56.400 -0.178 0.000 0.827 376 E CB 1.479 31.101 29.700 -0.130 0.000 1.220 376 E HN 0.187 nan 8.360 nan 0.000 0.411 377 T N -0.711 113.805 114.554 -0.063 0.000 3.473 377 T HA 0.175 4.525 4.350 -0.000 0.000 0.247 377 T C 0.209 174.906 174.700 -0.006 0.000 1.010 377 T CA -0.243 61.840 62.100 -0.027 0.000 0.940 377 T CB -0.598 68.253 68.868 -0.028 0.000 1.068 377 T HN 0.530 nan 8.240 nan 0.000 0.604 378 R N -1.756 118.747 120.500 0.005 0.000 2.855 378 R HA 0.666 5.006 4.340 -0.000 0.000 0.274 378 R C -1.584 174.746 176.300 0.049 0.000 0.997 378 R CA -1.099 55.015 56.100 0.023 0.000 0.856 378 R CB 0.256 30.564 30.300 0.013 0.000 1.378 378 R HN 0.012 nan 8.270 nan 0.000 0.462 379 A N 1.492 124.347 122.820 0.057 0.000 2.451 379 A HA 0.426 4.746 4.320 -0.000 0.000 0.266 379 A C -0.259 177.374 177.584 0.082 0.000 1.119 379 A CA -0.238 51.846 52.037 0.080 0.000 0.786 379 A CB 0.123 19.166 19.000 0.073 0.000 1.061 379 A HN 0.541 nan 8.150 nan 0.000 0.503 380 S N 1.167 116.936 115.700 0.115 0.000 2.580 380 S HA 0.321 4.791 4.470 -0.000 0.000 0.274 380 S C 0.320 174.979 174.600 0.097 0.000 1.329 380 S CA -0.573 57.706 58.200 0.130 0.000 1.036 380 S CB 1.138 64.473 63.200 0.225 0.000 0.919 380 S HN 0.551 nan 8.310 nan 0.000 0.515 381 V N 3.630 123.594 119.914 0.084 0.000 2.508 381 V HA 0.278 4.398 4.120 -0.000 0.000 0.281 381 V C -0.006 176.125 176.094 0.061 0.000 1.041 381 V CA -0.098 62.240 62.300 0.064 0.000 1.016 381 V CB 0.757 32.611 31.823 0.052 0.000 0.984 381 V HN 0.630 nan 8.190 nan 0.000 0.478 382 V N 3.909 123.855 119.914 0.054 0.000 2.735 382 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 382 V C 0.304 176.426 176.094 0.045 0.000 1.061 382 V CA -0.819 61.509 62.300 0.047 0.000 0.913 382 V CB 2.038 33.892 31.823 0.051 0.000 1.005 382 V HN 0.972 nan 8.190 nan 0.000 0.428 383 A N 2.549 125.395 122.820 0.044 0.000 2.388 383 A HA 0.355 4.675 4.320 -0.000 0.000 0.257 383 A C 0.981 178.594 177.584 0.049 0.000 1.095 383 A CA -0.095 51.968 52.037 0.044 0.000 0.791 383 A CB -0.207 18.818 19.000 0.041 0.000 1.029 383 A HN 0.983 nan 8.150 nan 0.000 0.489 384 N N 0.918 119.644 118.700 0.044 0.000 2.036 384 N HA -0.238 4.502 4.740 -0.000 0.000 0.195 384 N C 1.440 176.975 175.510 0.041 0.000 1.037 384 N CA 1.589 54.664 53.050 0.042 0.000 0.855 384 N CB -0.125 38.386 38.487 0.040 0.000 1.033 384 N HN 0.853 nan 8.380 nan 0.000 0.423 385 E N 1.521 121.746 120.200 0.041 0.000 2.130 385 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 385 E C 0.859 177.489 176.600 0.050 0.000 0.998 385 E CA 1.547 57.971 56.400 0.039 0.000 0.806 385 E CB -0.622 29.102 29.700 0.041 0.000 0.738 385 E HN 0.422 nan 8.360 nan 0.000 0.459 386 D N 0.696 121.147 120.400 0.085 0.000 2.224 386 D HA 0.016 4.656 4.640 -0.000 0.000 0.205 386 D C 2.076 178.435 176.300 0.098 0.000 0.965 386 D CA 0.766 54.858 54.000 0.153 0.000 0.852 386 D CB -0.073 40.837 40.800 0.183 0.000 0.947 386 D HN 0.289 nan 8.370 nan 0.000 0.494 387 I N 0.216 120.822 120.570 0.060 0.000 2.277 387 I HA -0.112 4.058 4.170 -0.000 0.000 0.243 387 I C 2.054 178.176 176.117 0.007 0.000 1.094 387 I CA 0.598 61.921 61.300 0.038 0.000 1.393 387 I CB -0.192 37.830 38.000 0.037 0.000 1.078 387 I HN -0.129 nan 8.210 nan 0.000 0.417 388 R N 0.916 121.420 120.500 0.006 0.000 2.211 388 R HA -0.145 4.195 4.340 -0.000 0.000 0.240 388 R C 2.228 178.508 176.300 -0.034 0.000 1.144 388 R CA 1.618 57.715 56.100 -0.006 0.000 0.992 388 R CB -0.620 29.683 30.300 0.004 0.000 0.869 388 R HN 0.466 nan 8.270 nan 0.000 0.462 389 V N -1.233 118.640 119.914 -0.069 0.000 2.871 389 V HA -0.043 4.077 4.120 -0.000 0.000 0.256 389 V C 1.760 177.780 176.094 -0.122 0.000 1.082 389 V CA 1.259 63.480 62.300 -0.133 0.000 1.105 389 V CB -0.057 31.589 31.823 -0.295 0.000 0.713 389 V HN 0.185 nan 8.190 nan 0.000 0.473 390 V N -3.604 116.259 119.914 -0.085 0.000 3.444 390 V HA 0.409 4.529 4.120 -0.000 0.000 0.308 390 V C 1.572 177.641 176.094 -0.042 0.000 1.371 390 V CA 0.280 62.545 62.300 -0.059 0.000 1.141 390 V CB 0.044 31.849 31.823 -0.031 0.000 1.037 390 V HN 0.335 nan 8.190 nan 0.000 0.433 391 L N 1.212 122.411 121.223 -0.040 0.000 2.585 391 L HA 0.615 4.955 4.340 -0.000 0.000 0.226 391 L C 1.777 178.622 176.870 -0.041 0.000 1.113 391 L CA 0.630 55.447 54.840 -0.038 0.000 0.876 391 L CB -0.673 41.369 42.059 -0.028 0.000 1.072 391 L HN 0.445 nan 8.230 nan 0.000 0.468 392 A N 0.000 122.801 122.820 -0.032 0.000 2.254 392 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 392 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 392 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486