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 2e37_1_E DATA FIRST_RESID 2 DATA SEQUENCE KVGIVGSGXV GSATAYALAL LGVAREVVLV DLDRKLAQAH AEDILHATPF DATA SEQUENCE AHPVWVRAGS YGDLEGARAV VLAAGVAQRP GETRLQLLDR NAQVFAQVVP DATA SEQUENCE RVLEAAPEAV LLVATNPVDV XTQVAYRLSG LPPGRVVGSG TILDTARFRA DATA SEQUENCE LLAEYLRVAP QSVHAYVLGE HGDSEVLVWS SAQVGGVPLL EFAEXXXXXX DATA SEQUENCE SPEDRARIDE GVRRAAYRII EGKGATYYGI GAGLARLVRA ILTDEKGVYT DATA SEQUENCE VSAFTPEVEG VLEVSLSLPR ILGAGGVEGT VYPSLSPEER EALRRSAEIL DATA SEQUENCE KEAAFALGF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.586 176.600 -0.023 0.000 0.988 2 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 2 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 3 V N 1.403 121.294 119.914 -0.038 0.000 2.604 3 V HA 0.764 4.884 4.120 -0.000 0.000 0.305 3 V C 0.209 176.267 176.094 -0.061 0.000 1.043 3 V CA -0.168 62.106 62.300 -0.043 0.000 0.888 3 V CB 1.892 33.691 31.823 -0.040 0.000 0.995 3 V HN 0.921 nan 8.190 nan 0.000 0.429 4 G N 3.369 112.134 108.800 -0.058 0.000 2.434 4 G HA2 0.801 4.761 3.960 -0.000 0.000 0.330 4 G HA3 0.801 4.761 3.960 -0.000 0.000 0.330 4 G C -1.063 173.795 174.900 -0.070 0.000 1.155 4 G CA -0.548 44.510 45.100 -0.071 0.000 0.917 4 G HN 0.606 nan 8.290 nan 0.000 0.493 5 I N 1.083 121.602 120.570 -0.085 0.000 2.531 5 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 5 I C -0.723 175.334 176.117 -0.100 0.000 1.083 5 I CA -0.695 60.556 61.300 -0.082 0.000 1.071 5 I CB 2.381 40.334 38.000 -0.078 0.000 1.210 5 I HN 0.081 nan 8.210 nan 0.000 0.450 6 V N 5.150 125.010 119.914 -0.090 0.000 2.348 6 V HA 0.780 4.900 4.120 -0.000 0.000 0.270 6 V C 0.594 176.644 176.094 -0.074 0.000 1.037 6 V CA -0.295 61.947 62.300 -0.097 0.000 0.872 6 V CB 0.862 32.654 31.823 -0.051 0.000 1.002 6 V HN 1.032 nan 8.190 nan 0.000 0.464 7 G N 3.416 112.167 108.800 -0.081 0.000 2.730 7 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.644 7 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.644 7 G C -0.098 174.743 174.900 -0.099 0.000 1.168 7 G CA -0.375 44.689 45.100 -0.061 0.000 1.240 7 G HN 0.611 nan 8.290 nan 0.000 0.551 8 S N 0.997 116.628 115.700 -0.115 0.000 2.699 8 S HA 0.500 4.970 4.470 -0.000 0.000 0.251 8 S C 1.380 175.815 174.600 -0.275 0.000 1.179 8 S CA 0.259 58.344 58.200 -0.192 0.000 1.200 8 S CB 0.362 63.495 63.200 -0.111 0.000 0.848 8 S HN 1.239 nan 8.310 nan 0.000 0.472 12 G N 1.298 110.041 108.800 -0.094 0.000 2.446 12 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 12 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 12 G C 1.776 176.601 174.900 -0.125 0.000 1.168 12 G CA 2.117 47.156 45.100 -0.101 0.000 0.771 12 G HN 0.777 nan 8.290 nan 0.000 0.551 13 S N 1.333 116.887 115.700 -0.243 0.000 2.355 13 S HA 0.149 4.619 4.470 -0.000 0.000 0.222 13 S C 2.648 177.233 174.600 -0.026 0.000 1.031 13 S CA 1.535 59.589 58.200 -0.244 0.000 0.993 13 S CB -0.642 62.177 63.200 -0.635 0.000 0.859 13 S HN 0.649 nan 8.310 nan 0.000 0.453 14 A N 1.660 124.482 122.820 0.002 0.000 1.978 14 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 14 A C 2.378 180.085 177.584 0.205 0.000 1.170 14 A CA 2.115 54.269 52.037 0.195 0.000 0.636 14 A CB -1.632 17.526 19.000 0.264 0.000 0.810 14 A HN 0.598 nan 8.150 nan 0.000 0.448 15 T N 0.046 114.662 114.554 0.102 0.000 2.777 15 T HA 0.040 4.390 4.350 -0.000 0.000 0.266 15 T C 2.247 176.991 174.700 0.075 0.000 1.040 15 T CA 1.438 63.583 62.100 0.075 0.000 1.141 15 T CB -0.387 68.496 68.868 0.024 0.000 0.868 15 T HN 0.597 nan 8.240 nan 0.000 0.444 16 A N 0.498 123.359 122.820 0.068 0.000 1.898 16 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 16 A C 2.102 179.777 177.584 0.152 0.000 1.181 16 A CA 1.360 53.441 52.037 0.073 0.000 0.620 16 A CB -0.997 18.031 19.000 0.046 0.000 0.819 16 A HN 0.530 nan 8.150 nan 0.000 0.442 17 Y N 0.689 121.023 120.300 0.056 0.000 2.181 17 Y HA -0.123 4.427 4.550 -0.000 0.000 0.288 17 Y C 2.688 178.636 175.900 0.081 0.000 1.146 17 Y CA 1.079 59.231 58.100 0.087 0.000 1.164 17 Y CB -0.638 37.895 38.460 0.121 0.000 0.982 17 Y HN 0.310 nan 8.280 nan 0.000 0.515 18 A N -0.055 122.840 122.820 0.125 0.000 1.898 18 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 18 A C 2.360 179.930 177.584 -0.022 0.000 1.181 18 A CA 1.632 53.677 52.037 0.014 0.000 0.620 18 A CB -1.138 17.905 19.000 0.073 0.000 0.819 18 A HN 0.517 nan 8.150 nan 0.000 0.442 19 L N -0.722 120.506 121.223 0.007 0.000 2.042 19 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 19 L C 3.114 179.971 176.870 -0.023 0.000 1.076 19 L CA 1.214 56.046 54.840 -0.013 0.000 0.749 19 L CB -0.559 41.499 42.059 -0.002 0.000 0.893 19 L HN 0.475 nan 8.230 nan 0.000 0.432 20 A N 0.147 122.966 122.820 -0.002 0.000 1.832 20 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 20 A C 2.183 179.774 177.584 0.012 0.000 1.200 20 A CA 1.377 53.425 52.037 0.018 0.000 0.610 20 A CB -0.875 18.159 19.000 0.056 0.000 0.842 20 A HN 0.340 nan 8.150 nan 0.000 0.444 21 L N -0.749 120.422 121.223 -0.087 0.000 2.189 21 L HA -0.175 4.165 4.340 -0.000 0.000 0.214 21 L C 2.150 179.059 176.870 0.065 0.000 1.097 21 L CA 0.961 55.771 54.840 -0.050 0.000 0.764 21 L CB -0.459 41.446 42.059 -0.257 0.000 0.900 21 L HN 0.367 nan 8.230 nan 0.000 0.436 22 L N -0.785 120.409 121.223 -0.049 0.000 2.567 22 L HA 0.180 4.520 4.340 -0.000 0.000 0.225 22 L C 1.329 177.982 176.870 -0.362 0.000 1.119 22 L CA 0.324 55.092 54.840 -0.120 0.000 0.871 22 L CB -0.239 41.771 42.059 -0.082 0.000 1.036 22 L HN 0.398 nan 8.230 nan 0.000 0.459 23 G N 0.378 108.953 108.800 -0.375 0.000 2.295 23 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.287 23 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.287 23 G C 0.660 175.414 174.900 -0.242 0.000 1.055 23 G CA 0.398 45.221 45.100 -0.461 0.000 0.922 23 G HN 0.145 nan 8.290 nan 0.000 0.503 24 V N -0.829 119.001 119.914 -0.139 0.000 2.488 24 V HA 0.406 4.526 4.120 -0.000 0.000 0.246 24 V C 1.763 177.824 176.094 -0.055 0.000 1.046 24 V CA 2.419 64.666 62.300 -0.088 0.000 1.053 24 V CB -0.203 31.581 31.823 -0.066 0.000 0.679 24 V HN 1.485 nan 8.190 nan 0.000 0.458 25 A N -1.093 121.704 122.820 -0.037 0.000 2.515 25 A HA 0.642 4.962 4.320 -0.000 0.000 0.296 25 A C 0.654 178.248 177.584 0.018 0.000 1.094 25 A CA -0.625 51.406 52.037 -0.010 0.000 0.718 25 A CB 1.225 20.219 19.000 -0.010 0.000 1.307 25 A HN 0.100 nan 8.150 nan 0.000 0.408 26 R N -0.173 120.352 120.500 0.042 0.000 2.127 26 R HA 0.090 4.430 4.340 -0.000 0.000 0.217 26 R C 0.142 176.525 176.300 0.138 0.000 1.074 26 R CA 0.996 57.149 56.100 0.087 0.000 0.991 26 R CB 0.354 30.708 30.300 0.090 0.000 0.895 26 R HN 0.767 nan 8.270 nan 0.000 0.450 27 E N 0.656 120.911 120.200 0.092 0.000 2.256 27 E HA 0.308 4.658 4.350 -0.000 0.000 0.268 27 E C -1.676 174.895 176.600 -0.049 0.000 0.877 27 E CA -0.492 55.939 56.400 0.051 0.000 0.757 27 E CB 2.206 31.951 29.700 0.074 0.000 1.183 27 E HN -0.204 nan 8.360 nan 0.000 0.418 28 V N 4.734 124.579 119.914 -0.114 0.000 2.443 28 V HA 0.324 4.444 4.120 -0.000 0.000 0.293 28 V C -0.620 175.358 176.094 -0.193 0.000 1.021 28 V CA -0.778 61.454 62.300 -0.113 0.000 0.848 28 V CB 1.717 33.507 31.823 -0.056 0.000 0.998 28 V HN 0.489 nan 8.190 nan 0.000 0.424 29 V N 6.597 126.402 119.914 -0.182 0.000 2.370 29 V HA 0.479 4.599 4.120 -0.000 0.000 0.283 29 V C -0.148 175.853 176.094 -0.156 0.000 1.023 29 V CA -0.511 61.664 62.300 -0.208 0.000 0.857 29 V CB 1.667 33.360 31.823 -0.215 0.000 0.985 29 V HN 0.640 nan 8.190 nan 0.000 0.443 30 L N 5.644 126.777 121.223 -0.149 0.000 2.264 30 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 30 L C -0.520 176.258 176.870 -0.153 0.000 1.044 30 L CA -0.487 54.276 54.840 -0.128 0.000 0.807 30 L CB 1.645 43.649 42.059 -0.092 0.000 1.192 30 L HN 0.368 nan 8.230 nan 0.000 0.425 31 V N 2.665 122.471 119.914 -0.180 0.000 2.448 31 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 31 V C -0.600 175.368 176.094 -0.210 0.000 1.025 31 V CA -0.522 61.625 62.300 -0.255 0.000 0.859 31 V CB 1.917 33.489 31.823 -0.419 0.000 0.988 31 V HN 0.703 nan 8.190 nan 0.000 0.431 32 D N 2.667 122.960 120.400 -0.179 0.000 2.859 32 D HA 0.245 4.885 4.640 -0.000 0.000 0.223 32 D C 0.412 176.660 176.300 -0.086 0.000 1.218 32 D CA -0.603 53.330 54.000 -0.112 0.000 0.850 32 D CB 2.952 43.711 40.800 -0.069 0.000 1.656 32 D HN 0.372 nan 8.370 nan 0.000 0.484 33 L N 2.200 123.397 121.223 -0.044 0.000 2.187 33 L HA -0.055 4.285 4.340 -0.000 0.000 0.213 33 L C 0.580 177.441 176.870 -0.015 0.000 1.100 33 L CA 1.529 56.360 54.840 -0.015 0.000 0.765 33 L CB -0.048 42.020 42.059 0.015 0.000 0.904 33 L HN 0.336 nan 8.230 nan 0.000 0.437 34 D N -0.958 119.431 120.400 -0.017 0.000 2.456 34 D HA 0.062 4.702 4.640 -0.000 0.000 0.219 34 D C 1.080 177.368 176.300 -0.020 0.000 1.126 34 D CA -0.185 53.808 54.000 -0.012 0.000 0.890 34 D CB 0.580 41.377 40.800 -0.005 0.000 1.025 34 D HN 0.006 nan 8.370 nan 0.000 0.511 35 R N 3.233 123.718 120.500 -0.025 0.000 2.081 35 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 35 R C 1.639 177.927 176.300 -0.020 0.000 1.131 35 R CA 0.885 56.966 56.100 -0.032 0.000 0.960 35 R CB -0.511 29.770 30.300 -0.030 0.000 0.856 35 R HN 0.300 nan 8.270 nan 0.000 0.436 36 K N 1.158 121.549 120.400 -0.015 0.000 2.103 36 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 36 K C 1.999 178.591 176.600 -0.014 0.000 1.048 36 K CA 0.847 57.125 56.287 -0.015 0.000 0.930 36 K CB -0.470 32.020 32.500 -0.016 0.000 0.716 36 K HN 0.065 nan 8.250 nan 0.000 0.444 37 L N 0.045 121.267 121.223 -0.002 0.000 2.027 37 L HA -0.017 4.323 4.340 -0.000 0.000 0.206 37 L C 2.058 178.979 176.870 0.084 0.000 1.074 37 L CA 2.152 57.008 54.840 0.026 0.000 0.745 37 L CB -0.982 41.104 42.059 0.045 0.000 0.898 37 L HN 0.192 nan 8.230 nan 0.000 0.433 38 A N -1.006 121.844 122.820 0.049 0.000 1.883 38 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 38 A C 2.213 179.819 177.584 0.036 0.000 1.186 38 A CA 1.992 54.053 52.037 0.040 0.000 0.624 38 A CB -0.710 18.271 19.000 -0.032 0.000 0.822 38 A HN 0.657 nan 8.150 nan 0.000 0.444 39 Q N -0.667 119.138 119.800 0.007 0.000 2.096 39 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 39 Q C 2.434 178.439 176.000 0.008 0.000 0.982 39 Q CA 1.643 57.449 55.803 0.005 0.000 0.850 39 Q CB -0.440 28.297 28.738 -0.002 0.000 0.901 39 Q HN 0.706 nan 8.270 nan 0.000 0.422 40 A N 0.351 123.159 122.820 -0.019 0.000 1.865 40 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 40 A C 1.604 179.131 177.584 -0.095 0.000 1.191 40 A CA 1.925 53.912 52.037 -0.082 0.000 0.623 40 A CB -0.908 17.997 19.000 -0.157 0.000 0.826 40 A HN 0.420 nan 8.150 nan 0.000 0.444 41 H N -0.524 118.523 119.070 -0.038 0.000 2.353 41 H HA 0.047 4.603 4.556 -0.000 0.000 0.300 41 H C 2.478 177.807 175.328 0.000 0.000 1.090 41 H CA 1.635 57.661 56.048 -0.036 0.000 1.327 41 H CB -0.142 29.591 29.762 -0.049 0.000 1.383 41 H HN 0.532 nan 8.280 nan 0.000 0.508 42 A N 0.760 123.656 122.820 0.127 0.000 1.865 42 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 42 A C 2.209 179.859 177.584 0.109 0.000 1.191 42 A CA 2.127 54.215 52.037 0.085 0.000 0.623 42 A CB -0.594 18.424 19.000 0.030 0.000 0.826 42 A HN 0.585 nan 8.150 nan 0.000 0.444 43 E N -0.617 119.640 120.200 0.095 0.000 2.072 43 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 43 E C 1.697 178.402 176.600 0.175 0.000 0.985 43 E CA 1.292 57.778 56.400 0.143 0.000 0.801 43 E CB -0.177 29.581 29.700 0.097 0.000 0.750 43 E HN 0.536 nan 8.360 nan 0.000 0.452 44 D N 0.163 120.597 120.400 0.057 0.000 2.117 44 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 44 D C 1.857 178.244 176.300 0.146 0.000 0.987 44 D CA 1.137 55.145 54.000 0.014 0.000 0.829 44 D CB -0.074 40.682 40.800 -0.074 0.000 0.961 44 D HN 0.314 nan 8.370 nan 0.000 0.460 45 I N -0.162 120.515 120.570 0.177 0.000 2.439 45 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 45 I C 2.204 178.486 176.117 0.276 0.000 1.139 45 I CA 0.232 61.694 61.300 0.271 0.000 1.438 45 I CB -0.096 38.063 38.000 0.265 0.000 1.085 45 I HN 0.092 nan 8.210 nan 0.000 0.427 46 L N 0.435 121.802 121.223 0.240 0.000 2.191 46 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 46 L C 2.302 179.299 176.870 0.212 0.000 1.103 46 L CA 2.009 56.976 54.840 0.213 0.000 0.769 46 L CB -0.750 41.427 42.059 0.198 0.000 0.908 46 L HN 0.204 nan 8.230 nan 0.000 0.438 47 H N -1.294 117.869 119.070 0.155 0.000 2.521 47 H HA 0.112 4.668 4.556 -0.000 0.000 0.286 47 H C 2.051 177.551 175.328 0.287 0.000 1.034 47 H CA 1.004 57.161 56.048 0.182 0.000 1.278 47 H CB 0.012 29.870 29.762 0.159 0.000 1.386 47 H HN 0.462 nan 8.280 nan 0.000 0.567 48 A N -0.294 122.765 122.820 0.398 0.000 2.081 48 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 48 A C 2.389 180.167 177.584 0.325 0.000 1.158 48 A CA 1.036 53.338 52.037 0.442 0.000 0.724 48 A CB -0.607 18.669 19.000 0.460 0.000 0.826 48 A HN 0.526 nan 8.150 nan 0.000 0.463 49 T N -1.347 113.322 114.554 0.191 0.000 2.759 49 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 49 T C -0.334 174.348 174.700 -0.030 0.000 1.042 49 T CA 1.541 63.696 62.100 0.092 0.000 1.140 49 T CB -1.659 67.262 68.868 0.088 0.000 0.864 49 T HN 0.330 nan 8.240 nan 0.000 0.455 50 P HA 0.014 nan 4.420 nan 0.000 0.221 50 P C 0.526 177.486 177.300 -0.566 0.000 1.145 50 P CA 0.787 63.624 63.100 -0.438 0.000 0.795 50 P CB -0.334 30.960 31.700 -0.676 0.000 0.775 51 F N -2.400 117.543 119.950 -0.012 0.000 2.660 51 F HA 0.431 4.958 4.527 -0.000 0.000 0.302 51 F C 1.540 177.297 175.800 -0.071 0.000 1.103 51 F CA -0.087 57.896 58.000 -0.028 0.000 1.340 51 F CB -0.236 38.767 39.000 0.004 0.000 1.048 51 F HN -0.071 nan 8.300 nan 0.000 0.551 52 A N -1.176 121.637 122.820 -0.011 0.000 2.043 52 A HA 0.520 4.840 4.320 -0.000 0.000 0.183 52 A C -0.922 176.445 177.584 -0.361 0.000 1.568 52 A CA -0.211 51.742 52.037 -0.139 0.000 1.796 52 A CB 0.355 19.373 19.000 0.030 0.000 1.908 52 A HN 0.198 nan 8.150 nan 0.000 0.851 53 H N -0.244 118.827 119.070 0.001 0.000 2.621 53 H HA 0.534 5.090 4.556 -0.000 0.000 0.360 53 H C -2.736 172.595 175.328 0.005 0.000 1.163 53 H CA -2.049 53.998 56.048 -0.001 0.000 1.194 53 H CB 0.896 30.659 29.762 0.001 0.000 1.649 53 H HN 0.184 nan 8.280 nan 0.000 0.532 54 P HA 0.044 nan 4.420 nan 0.000 0.264 54 P C -0.933 176.431 177.300 0.107 0.000 1.537 54 P CA 0.176 63.319 63.100 0.071 0.000 1.189 54 P CB -0.043 31.681 31.700 0.040 0.000 1.687 55 V N 3.504 123.495 119.914 0.128 0.000 2.555 55 V HA 0.354 4.474 4.120 -0.000 0.000 0.302 55 V C -0.654 175.578 176.094 0.229 0.000 1.038 55 V CA -0.714 61.677 62.300 0.152 0.000 0.887 55 V CB 2.146 34.039 31.823 0.117 0.000 0.991 55 V HN 0.417 nan 8.190 nan 0.000 0.434 56 W N 6.148 127.459 121.300 0.019 0.000 2.316 56 W HA 0.620 5.280 4.660 -0.000 0.000 0.339 56 W C -0.821 175.713 176.519 0.024 0.000 1.002 56 W CA -1.007 56.348 57.345 0.017 0.000 1.465 56 W CB 0.797 30.262 29.460 0.009 0.000 1.300 56 W HN 0.330 nan 8.180 nan 0.000 0.378 57 V N 8.357 128.307 119.914 0.060 0.000 2.394 57 V HA 0.597 4.717 4.120 -0.000 0.000 0.282 57 V C -0.008 175.977 176.094 -0.181 0.000 1.031 57 V CA -0.608 61.641 62.300 -0.085 0.000 0.881 57 V CB 0.886 32.734 31.823 0.042 0.000 0.982 57 V HN 0.494 nan 8.190 nan 0.000 0.451 58 R N 3.846 124.153 120.500 -0.321 0.000 2.734 58 R HA 0.908 5.248 4.340 -0.000 0.000 0.271 58 R C -0.973 175.202 176.300 -0.210 0.000 1.021 58 R CA -0.776 55.162 56.100 -0.270 0.000 0.893 58 R CB 1.825 31.842 30.300 -0.472 0.000 1.244 58 R HN 0.643 nan 8.270 nan 0.000 0.464 59 A N 0.377 123.118 122.820 -0.132 0.000 2.295 59 A HA 0.892 5.212 4.320 -0.000 0.000 0.318 59 A C -0.082 177.422 177.584 -0.133 0.000 1.134 59 A CA -0.062 51.906 52.037 -0.116 0.000 0.827 59 A CB 1.153 20.114 19.000 -0.065 0.000 1.136 59 A HN 1.008 nan 8.150 nan 0.000 0.493 60 G N -0.621 108.091 108.800 -0.145 0.000 2.619 60 G HA2 0.593 4.553 3.960 -0.000 0.000 0.305 60 G HA3 0.593 4.553 3.960 -0.000 0.000 0.305 60 G C -0.352 174.451 174.900 -0.163 0.000 1.330 60 G CA 0.255 45.274 45.100 -0.135 0.000 0.789 60 G HN 1.503 nan 8.290 nan 0.000 0.487 61 S N -1.400 114.221 115.700 -0.132 0.000 2.738 61 S HA 0.455 4.925 4.470 -0.000 0.000 0.284 61 S C 0.826 175.333 174.600 -0.155 0.000 1.146 61 S CA -0.481 57.628 58.200 -0.153 0.000 0.997 61 S CB 0.968 64.142 63.200 -0.044 0.000 1.081 61 S HN 0.474 nan 8.310 nan 0.000 0.553 62 Y N 0.931 121.207 120.300 -0.040 0.000 2.256 62 Y HA 0.032 4.582 4.550 -0.000 0.000 0.288 62 Y C 2.725 178.602 175.900 -0.040 0.000 1.155 62 Y CA 1.607 59.680 58.100 -0.045 0.000 1.203 62 Y CB -1.119 37.316 38.460 -0.042 0.000 0.980 62 Y HN 0.879 nan 8.280 nan 0.000 0.530 63 G N -0.357 108.512 108.800 0.115 0.000 2.450 63 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 63 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 63 G C 1.211 176.125 174.900 0.024 0.000 1.130 63 G CA 1.198 46.333 45.100 0.060 0.000 0.760 63 G HN 0.328 nan 8.290 nan 0.000 0.557 64 D N 0.263 120.659 120.400 -0.007 0.000 2.378 64 D HA 0.015 4.655 4.640 -0.000 0.000 0.227 64 D C 2.062 178.333 176.300 -0.049 0.000 1.012 64 D CA 0.228 54.205 54.000 -0.039 0.000 0.905 64 D CB 0.219 40.969 40.800 -0.083 0.000 0.895 64 D HN 0.336 nan 8.370 nan 0.000 0.532 65 L N 0.423 121.634 121.223 -0.019 0.000 2.592 65 L HA 0.085 4.425 4.340 -0.000 0.000 0.227 65 L C 1.047 177.915 176.870 -0.004 0.000 1.127 65 L CA -0.102 54.727 54.840 -0.018 0.000 0.884 65 L CB -0.029 42.039 42.059 0.014 0.000 1.065 65 L HN -0.117 nan 8.230 nan 0.000 0.457 66 E N 0.728 120.931 120.200 0.005 0.000 2.608 66 E HA 0.025 4.375 4.350 -0.000 0.000 0.259 66 E C 1.212 177.816 176.600 0.007 0.000 0.951 66 E CA 0.912 57.318 56.400 0.010 0.000 0.945 66 E CB 0.275 29.984 29.700 0.016 0.000 0.916 66 E HN 0.342 nan 8.360 nan 0.000 0.477 67 G N 2.538 111.342 108.800 0.007 0.000 2.199 67 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 67 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 67 G C 0.321 175.222 174.900 0.002 0.000 0.982 67 G CA 0.062 45.167 45.100 0.008 0.000 0.632 67 G HN 0.913 nan 8.290 nan 0.000 0.529 68 A N 0.017 122.833 122.820 -0.006 0.000 2.511 68 A HA 0.614 4.934 4.320 -0.000 0.000 0.242 68 A C 1.308 178.885 177.584 -0.012 0.000 1.069 68 A CA 1.120 53.148 52.037 -0.014 0.000 0.763 68 A CB 0.155 19.142 19.000 -0.022 0.000 1.001 68 A HN 0.484 nan 8.150 nan 0.000 0.498 69 R N 0.960 121.452 120.500 -0.013 0.000 2.189 69 R HA 0.286 4.626 4.340 -0.000 0.000 0.203 69 R C 0.421 176.710 176.300 -0.018 0.000 1.012 69 R CA 1.027 57.120 56.100 -0.012 0.000 1.015 69 R CB 0.263 30.557 30.300 -0.009 0.000 0.938 69 R HN 0.814 nan 8.270 nan 0.000 0.472 70 A N 0.307 123.112 122.820 -0.025 0.000 2.515 70 A HA 0.616 4.936 4.320 -0.000 0.000 0.298 70 A C -1.329 176.234 177.584 -0.036 0.000 1.059 70 A CA -0.506 51.513 52.037 -0.031 0.000 0.698 70 A CB 2.216 21.194 19.000 -0.037 0.000 1.289 70 A HN -0.050 nan 8.150 nan 0.000 0.404 71 V N 2.028 121.918 119.914 -0.040 0.000 2.524 71 V HA 0.348 4.468 4.120 -0.000 0.000 0.297 71 V C -0.514 175.547 176.094 -0.054 0.000 1.035 71 V CA -0.557 61.715 62.300 -0.046 0.000 0.867 71 V CB 1.731 33.529 31.823 -0.042 0.000 1.004 71 V HN 0.745 nan 8.190 nan 0.000 0.426 72 V N 6.473 126.355 119.914 -0.054 0.000 2.461 72 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 72 V C 0.102 176.157 176.094 -0.064 0.000 1.047 72 V CA -0.275 61.995 62.300 -0.050 0.000 0.955 72 V CB 1.303 33.102 31.823 -0.040 0.000 0.988 72 V HN 0.617 nan 8.190 nan 0.000 0.471 73 L N 5.098 126.278 121.223 -0.073 0.000 2.259 73 L HA 0.583 4.923 4.340 -0.000 0.000 0.288 73 L C 0.685 177.559 176.870 0.006 0.000 1.051 73 L CA -0.106 54.658 54.840 -0.127 0.000 0.824 73 L CB 0.953 42.811 42.059 -0.335 0.000 1.206 73 L HN 0.754 nan 8.230 nan 0.000 0.429 74 A N 2.727 125.552 122.820 0.008 0.000 2.643 74 A HA 0.675 4.995 4.320 -0.000 0.000 0.295 74 A C 0.546 178.165 177.584 0.058 0.000 1.065 74 A CA -0.171 51.895 52.037 0.048 0.000 0.986 74 A CB 0.340 19.340 19.000 0.001 0.000 1.212 74 A HN 0.630 nan 8.150 nan 0.000 0.516 75 A N -0.280 122.600 122.820 0.100 0.000 2.286 75 A HA 0.850 5.170 4.320 -0.000 0.000 0.286 75 A C 0.559 178.250 177.584 0.179 0.000 1.097 75 A CA 0.203 52.306 52.037 0.109 0.000 0.821 75 A CB 0.595 19.652 19.000 0.095 0.000 1.076 75 A HN 1.818 nan 8.150 nan 0.000 0.490 76 G N -1.606 107.261 108.800 0.112 0.000 2.325 76 G HA2 0.523 4.483 3.960 -0.000 0.000 0.297 76 G HA3 0.523 4.483 3.960 -0.000 0.000 0.297 76 G C -1.544 173.383 174.900 0.045 0.000 1.448 76 G CA 0.154 45.305 45.100 0.084 0.000 0.838 76 G HN 1.664 nan 8.290 nan 0.000 0.579 77 V N -0.078 119.853 119.914 0.029 0.000 2.881 77 V HA 0.879 4.999 4.120 -0.000 0.000 0.316 77 V C 0.604 176.704 176.094 0.009 0.000 1.070 77 V CA -0.010 62.302 62.300 0.019 0.000 0.976 77 V CB 1.672 33.507 31.823 0.020 0.000 1.038 77 V HN 2.069 nan 8.190 nan 0.000 0.446 78 A N 4.195 127.020 122.820 0.007 0.000 2.328 78 A HA 0.489 4.809 4.320 -0.000 0.000 0.284 78 A C 0.033 177.619 177.584 0.003 0.000 1.160 78 A CA -0.291 51.748 52.037 0.003 0.000 0.818 78 A CB 0.446 19.446 19.000 0.001 0.000 1.087 78 A HN 0.946 nan 8.150 nan 0.000 0.504 79 Q N 1.133 120.934 119.800 0.002 0.000 2.428 79 Q HA 0.093 4.433 4.340 -0.000 0.000 0.276 79 Q C -0.325 175.677 176.000 0.003 0.000 1.059 79 Q CA 0.475 56.279 55.803 0.002 0.000 0.923 79 Q CB 0.393 29.132 28.738 0.002 0.000 1.283 79 Q HN 0.685 nan 8.270 nan 0.000 0.447 80 R N 4.134 124.636 120.500 0.004 0.000 2.229 80 R HA 0.306 4.646 4.340 -0.000 0.000 0.328 80 R C -2.167 174.135 176.300 0.004 0.000 1.009 80 R CA -1.875 54.228 56.100 0.004 0.000 0.864 80 R CB 0.830 31.134 30.300 0.006 0.000 1.085 80 R HN 0.523 nan 8.270 nan 0.000 0.453 81 P HA -0.082 nan 4.420 nan 0.000 0.257 81 P C 0.478 177.780 177.300 0.004 0.000 1.189 81 P CA 0.919 64.021 63.100 0.004 0.000 0.780 81 P CB 0.752 32.453 31.700 0.003 0.000 0.772 82 G N 2.571 111.374 108.800 0.005 0.000 2.284 82 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.201 82 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.201 82 G C 0.022 174.925 174.900 0.006 0.000 0.998 82 G CA 0.066 45.169 45.100 0.005 0.000 0.651 82 G HN 0.707 nan 8.290 nan 0.000 0.489 83 E N 1.554 121.758 120.200 0.006 0.000 2.319 83 E HA 0.562 4.912 4.350 -0.000 0.000 0.268 83 E C 0.706 177.310 176.600 0.008 0.000 1.050 83 E CA 0.059 56.463 56.400 0.007 0.000 0.878 83 E CB 0.751 30.456 29.700 0.008 0.000 1.066 83 E HN 0.397 nan 8.360 nan 0.000 0.406 84 T N -0.033 114.526 114.554 0.009 0.000 2.813 84 T HA 0.075 4.425 4.350 -0.000 0.000 0.297 84 T C 1.006 175.712 174.700 0.009 0.000 1.036 84 T CA -0.330 61.776 62.100 0.009 0.000 1.044 84 T CB 1.407 70.282 68.868 0.011 0.000 0.993 84 T HN 0.715 nan 8.240 nan 0.000 0.535 85 R N 0.307 120.813 120.500 0.009 0.000 2.070 85 R HA -0.035 4.305 4.340 -0.000 0.000 0.233 85 R C 2.232 178.538 176.300 0.010 0.000 1.137 85 R CA 1.712 57.816 56.100 0.008 0.000 0.945 85 R CB -1.374 28.931 30.300 0.008 0.000 0.845 85 R HN 0.636 nan 8.270 nan 0.000 0.430 86 L N 1.044 122.277 121.223 0.016 0.000 2.081 86 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 86 L C 1.970 178.854 176.870 0.023 0.000 1.080 86 L CA 1.938 56.792 54.840 0.024 0.000 0.754 86 L CB -0.496 41.580 42.059 0.028 0.000 0.893 86 L HN 0.385 nan 8.230 nan 0.000 0.433 87 Q N -1.358 118.453 119.800 0.018 0.000 2.230 87 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 87 Q C 2.092 178.101 176.000 0.014 0.000 0.963 87 Q CA 1.416 57.230 55.803 0.018 0.000 0.866 87 Q CB -0.228 28.518 28.738 0.015 0.000 0.931 87 Q HN 0.525 nan 8.270 nan 0.000 0.452 88 L N 0.323 121.551 121.223 0.008 0.000 2.023 88 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 88 L C 1.882 178.748 176.870 -0.007 0.000 1.073 88 L CA 1.529 56.370 54.840 0.001 0.000 0.745 88 L CB -0.501 41.557 42.059 -0.002 0.000 0.900 88 L HN 0.169 nan 8.230 nan 0.000 0.435 89 L N -0.160 121.058 121.223 -0.009 0.000 2.051 89 L HA -0.287 4.053 4.340 -0.000 0.000 0.214 89 L C 2.351 179.216 176.870 -0.009 0.000 1.076 89 L CA 2.023 56.849 54.840 -0.024 0.000 0.758 89 L CB -0.985 41.069 42.059 -0.008 0.000 0.890 89 L HN 0.452 nan 8.230 nan 0.000 0.433 90 D N -0.124 120.292 120.400 0.027 0.000 2.117 90 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 90 D C 2.343 178.667 176.300 0.041 0.000 0.987 90 D CA 1.078 55.111 54.000 0.056 0.000 0.829 90 D CB 0.140 40.973 40.800 0.055 0.000 0.961 90 D HN 0.105 nan 8.370 nan 0.000 0.460 91 R N -0.140 120.374 120.500 0.023 0.000 2.096 91 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 91 R C 1.892 178.201 176.300 0.015 0.000 1.127 91 R CA 1.005 57.119 56.100 0.023 0.000 0.968 91 R CB -0.273 30.038 30.300 0.018 0.000 0.861 91 R HN 0.272 nan 8.270 nan 0.000 0.440 92 N N 0.793 119.480 118.700 -0.023 0.000 2.142 92 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 92 N C 1.638 177.080 175.510 -0.112 0.000 1.023 92 N CA 1.380 54.387 53.050 -0.073 0.000 0.852 92 N CB -0.214 38.181 38.487 -0.154 0.000 0.998 92 N HN 0.186 nan 8.380 nan 0.000 0.424 93 A N 0.800 123.555 122.820 -0.108 0.000 1.972 93 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 93 A C 2.158 179.787 177.584 0.074 0.000 1.169 93 A CA 1.345 53.328 52.037 -0.090 0.000 0.635 93 A CB -0.595 18.421 19.000 0.026 0.000 0.810 93 A HN 0.372 nan 8.150 nan 0.000 0.446 94 Q N -0.380 119.471 119.800 0.084 0.000 2.124 94 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 94 Q C 1.903 177.971 176.000 0.113 0.000 0.977 94 Q CA 1.802 57.664 55.803 0.099 0.000 0.850 94 Q CB -0.207 28.574 28.738 0.072 0.000 0.901 94 Q HN 0.419 nan 8.270 nan 0.000 0.429 95 V N 0.162 120.154 119.914 0.130 0.000 2.295 95 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 95 V C 1.915 178.163 176.094 0.257 0.000 1.049 95 V CA 1.605 64.011 62.300 0.177 0.000 1.024 95 V CB -0.617 31.324 31.823 0.197 0.000 0.648 95 V HN 0.371 nan 8.190 nan 0.000 0.447 96 F N 0.931 120.873 119.950 -0.013 0.000 2.171 96 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 96 F C 2.413 178.196 175.800 -0.028 0.000 1.090 96 F CA 0.938 58.920 58.000 -0.031 0.000 1.293 96 F CB -1.207 37.746 39.000 -0.078 0.000 1.013 96 F HN 0.117 nan 8.300 nan 0.000 0.486 97 A N -0.791 122.136 122.820 0.179 0.000 2.024 97 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 97 A C 2.172 179.775 177.584 0.032 0.000 1.164 97 A CA 1.429 53.526 52.037 0.100 0.000 0.643 97 A CB -0.381 18.687 19.000 0.113 0.000 0.806 97 A HN 0.339 nan 8.150 nan 0.000 0.451 98 Q N -0.821 118.997 119.800 0.030 0.000 2.259 98 Q HA 0.032 4.372 4.340 -0.000 0.000 0.201 98 Q C 2.336 178.275 176.000 -0.102 0.000 0.938 98 Q CA 1.220 57.009 55.803 -0.023 0.000 0.872 98 Q CB -0.496 28.253 28.738 0.019 0.000 0.971 98 Q HN 0.488 nan 8.270 nan 0.000 0.494 99 V N 0.662 120.534 119.914 -0.070 0.000 2.221 99 V HA -0.209 3.911 4.120 -0.000 0.000 0.242 99 V C 2.529 178.490 176.094 -0.222 0.000 1.041 99 V CA 1.518 63.739 62.300 -0.132 0.000 0.995 99 V CB -0.942 30.799 31.823 -0.137 0.000 0.635 99 V HN 0.041 nan 8.190 nan 0.000 0.448 100 V N 1.482 121.268 119.914 -0.213 0.000 2.250 100 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 100 V C 0.401 176.398 176.094 -0.161 0.000 1.065 100 V CA 3.009 65.198 62.300 -0.184 0.000 1.039 100 V CB -2.209 29.535 31.823 -0.131 0.000 0.647 100 V HN 0.547 nan 8.190 nan 0.000 0.446 101 P HA -0.171 nan 4.420 nan 0.000 0.217 101 P C 1.585 178.759 177.300 -0.210 0.000 1.150 101 P CA 1.545 64.558 63.100 -0.146 0.000 0.832 101 P CB -0.156 31.475 31.700 -0.115 0.000 0.787 102 R N -0.391 119.896 120.500 -0.354 0.000 2.092 102 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 102 R C 2.408 178.459 176.300 -0.414 0.000 1.119 102 R CA 0.873 56.639 56.100 -0.556 0.000 0.970 102 R CB -0.873 28.678 30.300 -1.248 0.000 0.864 102 R HN 0.089 nan 8.270 nan 0.000 0.440 103 V N 1.488 121.230 119.914 -0.287 0.000 2.270 103 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 103 V C 2.244 178.302 176.094 -0.060 0.000 1.043 103 V CA 1.612 63.875 62.300 -0.062 0.000 1.014 103 V CB -0.344 31.457 31.823 -0.036 0.000 0.645 103 V HN 0.288 nan 8.190 nan 0.000 0.447 104 L N 0.105 121.276 121.223 -0.086 0.000 2.191 104 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 104 L C 2.535 179.372 176.870 -0.056 0.000 1.103 104 L CA 1.729 56.532 54.840 -0.062 0.000 0.769 104 L CB -0.570 41.450 42.059 -0.066 0.000 0.908 104 L HN 0.508 nan 8.230 nan 0.000 0.438 105 E N 0.729 120.884 120.200 -0.076 0.000 2.150 105 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 105 E C 2.100 178.680 176.600 -0.033 0.000 0.985 105 E CA 1.157 57.521 56.400 -0.060 0.000 0.814 105 E CB 0.126 29.776 29.700 -0.084 0.000 0.752 105 E HN 0.452 nan 8.360 nan 0.000 0.466 106 A N 0.607 123.414 122.820 -0.022 0.000 1.956 106 A HA 0.417 4.737 4.320 -0.000 0.000 0.212 106 A C 1.479 179.066 177.584 0.004 0.000 1.188 106 A CA 0.689 52.730 52.037 0.007 0.000 0.675 106 A CB 0.297 19.326 19.000 0.047 0.000 0.845 106 A HN 0.250 nan 8.150 nan 0.000 0.455 107 A N -0.229 122.589 122.820 -0.003 0.000 3.258 107 A HA 0.612 4.932 4.320 -0.000 0.000 0.318 107 A C -1.734 175.842 177.584 -0.013 0.000 0.990 107 A CA -1.022 51.012 52.037 -0.005 0.000 0.885 107 A CB 0.213 19.211 19.000 -0.004 0.000 1.090 107 A HN 0.114 nan 8.150 nan 0.000 0.479 108 P HA -0.210 nan 4.420 nan 0.000 0.218 108 P C 0.885 178.178 177.300 -0.012 0.000 1.152 108 P CA 1.462 64.552 63.100 -0.016 0.000 0.857 108 P CB 0.364 32.057 31.700 -0.013 0.000 0.787 109 E N -1.480 118.715 120.200 -0.008 0.000 2.463 109 E HA 0.237 4.587 4.350 -0.000 0.000 0.193 109 E C 0.700 177.296 176.600 -0.006 0.000 1.041 109 E CA -0.154 56.242 56.400 -0.005 0.000 0.879 109 E CB -0.187 29.512 29.700 -0.002 0.000 0.997 109 E HN 0.143 nan 8.360 nan 0.000 0.478 110 A N 1.149 123.963 122.820 -0.011 0.000 2.462 110 A HA 0.253 4.573 4.320 -0.000 0.000 0.243 110 A C 0.460 178.036 177.584 -0.014 0.000 1.076 110 A CA -0.291 51.737 52.037 -0.014 0.000 0.773 110 A CB 0.532 19.521 19.000 -0.018 0.000 1.010 110 A HN -0.001 nan 8.150 nan 0.000 0.493 111 V N 3.598 123.503 119.914 -0.015 0.000 2.530 111 V HA 0.164 4.284 4.120 -0.000 0.000 0.282 111 V C 0.291 176.372 176.094 -0.021 0.000 1.048 111 V CA -0.050 62.242 62.300 -0.013 0.000 0.997 111 V CB 0.940 32.754 31.823 -0.016 0.000 0.987 111 V HN 0.672 nan 8.190 nan 0.000 0.477 112 L N 6.121 127.334 121.223 -0.016 0.000 2.265 112 L HA 0.447 4.787 4.340 -0.000 0.000 0.288 112 L C -0.269 176.589 176.870 -0.020 0.000 1.058 112 L CA -0.150 54.673 54.840 -0.027 0.000 0.809 112 L CB 0.932 42.974 42.059 -0.028 0.000 1.179 112 L HN 0.444 nan 8.230 nan 0.000 0.429 113 L N 4.845 126.049 121.223 -0.031 0.000 2.295 113 L HA 0.388 4.728 4.340 -0.000 0.000 0.281 113 L C -0.478 176.390 176.870 -0.004 0.000 1.018 113 L CA -0.611 54.215 54.840 -0.023 0.000 0.841 113 L CB 1.726 43.761 42.059 -0.039 0.000 1.218 113 L HN 0.320 nan 8.230 nan 0.000 0.424 114 V N 3.964 123.898 119.914 0.033 0.000 2.488 114 V HA 0.245 4.365 4.120 -0.000 0.000 0.277 114 V C 0.895 177.035 176.094 0.076 0.000 1.046 114 V CA 0.278 62.638 62.300 0.101 0.000 0.986 114 V CB 1.210 33.133 31.823 0.166 0.000 0.989 114 V HN 0.930 nan 8.190 nan 0.000 0.475 115 A N 3.413 126.291 122.820 0.097 0.000 2.211 115 A HA 0.225 4.545 4.320 -0.000 0.000 0.208 115 A C 1.156 178.791 177.584 0.086 0.000 1.250 115 A CA 0.081 52.157 52.037 0.065 0.000 0.935 115 A CB 0.072 19.098 19.000 0.042 0.000 0.982 115 A HN 0.637 nan 8.150 nan 0.000 0.490 116 T N 2.576 117.213 114.554 0.138 0.000 2.867 116 T HA 0.092 4.442 4.350 -0.000 0.000 0.297 116 T C 0.058 174.777 174.700 0.032 0.000 0.989 116 T CA 0.285 62.444 62.100 0.098 0.000 1.159 116 T CB -0.337 68.625 68.868 0.157 0.000 0.928 116 T HN 0.463 nan 8.240 nan 0.000 0.538 117 N N 4.483 123.201 118.700 0.031 0.000 2.514 117 N HA 0.260 5.000 4.740 -0.000 0.000 0.277 117 N C -2.228 173.268 175.510 -0.024 0.000 1.126 117 N CA -1.391 51.675 53.050 0.026 0.000 0.978 117 N CB 0.662 39.176 38.487 0.046 0.000 1.106 117 N HN 0.434 nan 8.380 nan 0.000 0.461 118 P HA 0.012 nan 4.420 nan 0.000 0.282 118 P C 1.116 178.413 177.300 -0.004 0.000 1.274 118 P CA -0.365 62.733 63.100 -0.004 0.000 0.770 118 P CB 1.154 32.842 31.700 -0.020 0.000 0.867 119 V N 1.237 121.184 119.914 0.055 0.000 2.282 119 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 119 V C 1.647 177.752 176.094 0.017 0.000 1.057 119 V CA 2.057 64.382 62.300 0.042 0.000 1.032 119 V CB -1.395 30.463 31.823 0.057 0.000 0.645 119 V HN 0.301 nan 8.190 nan 0.000 0.447 120 D N 0.888 121.304 120.400 0.026 0.000 2.116 120 D HA -0.075 4.565 4.640 -0.000 0.000 0.193 120 D C 1.346 177.638 176.300 -0.012 0.000 0.998 120 D CA 1.482 55.487 54.000 0.007 0.000 0.836 120 D CB -0.617 40.188 40.800 0.009 0.000 0.951 120 D HN 0.487 nan 8.370 nan 0.000 0.449 124 Q N 1.747 121.590 119.800 0.071 0.000 2.096 124 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 124 Q C 2.039 178.074 176.000 0.058 0.000 0.982 124 Q CA 2.263 58.161 55.803 0.158 0.000 0.850 124 Q CB -0.430 28.394 28.738 0.143 0.000 0.901 124 Q HN 0.428 nan 8.270 nan 0.000 0.422 125 V N 0.872 120.656 119.914 -0.217 0.000 2.255 125 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 125 V C 2.369 178.361 176.094 -0.169 0.000 1.051 125 V CA 1.897 63.835 62.300 -0.603 0.000 1.018 125 V CB -1.376 29.938 31.823 -0.847 0.000 0.641 125 V HN 0.585 nan 8.190 nan 0.000 0.445 126 A N -0.755 122.120 122.820 0.091 0.000 1.917 126 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 126 A C 2.146 179.787 177.584 0.095 0.000 1.182 126 A CA 2.434 54.580 52.037 0.182 0.000 0.633 126 A CB -0.825 18.319 19.000 0.239 0.000 0.819 126 A HN 0.670 nan 8.150 nan 0.000 0.448 127 Y N 1.078 121.380 120.300 0.003 0.000 2.034 127 Y HA -0.264 4.286 4.550 -0.000 0.000 0.269 127 Y C 2.480 178.346 175.900 -0.057 0.000 1.125 127 Y CA 2.233 60.309 58.100 -0.039 0.000 1.097 127 Y CB -0.690 37.736 38.460 -0.058 0.000 0.978 127 Y HN 0.302 nan 8.280 nan 0.000 0.480 128 R N -0.279 119.971 120.500 -0.418 0.000 2.226 128 R HA -0.203 4.137 4.340 -0.000 0.000 0.246 128 R C 2.029 178.209 176.300 -0.201 0.000 1.161 128 R CA 1.553 57.402 56.100 -0.418 0.000 0.997 128 R CB -0.850 29.470 30.300 0.033 0.000 0.870 128 R HN 0.364 nan 8.270 nan 0.000 0.465 129 L N 0.771 121.941 121.223 -0.088 0.000 2.127 129 L HA -0.055 4.285 4.340 -0.000 0.000 0.203 129 L C 2.565 179.387 176.870 -0.080 0.000 1.080 129 L CA 1.815 56.641 54.840 -0.022 0.000 0.768 129 L CB -0.466 41.611 42.059 0.030 0.000 0.924 129 L HN 0.187 nan 8.230 nan 0.000 0.444 130 S N -1.031 114.604 115.700 -0.108 0.000 2.428 130 S HA 0.055 4.525 4.470 -0.000 0.000 0.230 130 S C 1.743 176.277 174.600 -0.110 0.000 1.014 130 S CA 0.638 58.784 58.200 -0.089 0.000 0.957 130 S CB -0.513 62.657 63.200 -0.050 0.000 0.784 130 S HN 0.567 nan 8.310 nan 0.000 0.499 131 G N 0.902 109.589 108.800 -0.189 0.000 2.155 131 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 131 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 131 G C -0.015 174.824 174.900 -0.102 0.000 0.983 131 G CA 0.683 45.682 45.100 -0.168 0.000 0.676 131 G HN 0.579 nan 8.290 nan 0.000 0.528 132 L N 0.301 121.485 121.223 -0.065 0.000 2.416 132 L HA 0.511 4.851 4.340 -0.000 0.000 0.262 132 L C -1.520 175.407 176.870 0.095 0.000 1.093 132 L CA -2.458 52.389 54.840 0.012 0.000 0.801 132 L CB 0.457 42.533 42.059 0.027 0.000 1.191 132 L HN -0.150 nan 8.230 nan 0.000 0.459 133 P HA 0.027 nan 4.420 nan 0.000 0.266 133 P C -2.122 175.271 177.300 0.155 0.000 1.193 133 P CA -0.822 62.349 63.100 0.118 0.000 0.770 133 P CB -0.081 31.659 31.700 0.066 0.000 0.836 134 P HA -0.213 nan 4.420 nan 0.000 0.215 134 P C 1.508 178.803 177.300 -0.009 0.000 1.163 134 P CA 2.209 65.270 63.100 -0.065 0.000 0.894 134 P CB -0.455 31.212 31.700 -0.056 0.000 0.791 135 G N -0.840 107.971 108.800 0.018 0.000 2.535 135 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 135 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 135 G C 1.446 176.360 174.900 0.023 0.000 1.122 135 G CA 0.203 45.312 45.100 0.015 0.000 0.769 135 G HN 0.279 nan 8.290 nan 0.000 0.549 136 R N -0.631 119.893 120.500 0.040 0.000 2.334 136 R HA 0.209 4.549 4.340 -0.000 0.000 0.220 136 R C -0.515 175.809 176.300 0.040 0.000 0.917 136 R CA -0.042 56.079 56.100 0.035 0.000 1.073 136 R CB 0.583 30.904 30.300 0.035 0.000 1.056 136 R HN 0.191 nan 8.270 nan 0.000 0.506 137 V N 1.622 121.569 119.914 0.056 0.000 2.380 137 V HA 0.291 4.411 4.120 -0.000 0.000 0.286 137 V C -0.471 175.649 176.094 0.042 0.000 1.015 137 V CA -0.698 61.641 62.300 0.065 0.000 0.834 137 V CB 1.915 33.818 31.823 0.135 0.000 1.009 137 V HN -0.208 nan 8.190 nan 0.000 0.428 138 V N 3.235 123.162 119.914 0.021 0.000 2.680 138 V HA 0.876 4.996 4.120 -0.000 0.000 0.309 138 V C 0.585 176.683 176.094 0.006 0.000 1.052 138 V CA -0.461 61.841 62.300 0.004 0.000 0.908 138 V CB 2.117 33.929 31.823 -0.018 0.000 1.001 138 V HN 0.854 nan 8.190 nan 0.000 0.431 139 G N 0.908 109.707 108.800 -0.000 0.000 2.420 139 G HA2 0.481 4.441 3.960 -0.000 0.000 0.331 139 G HA3 0.481 4.441 3.960 -0.000 0.000 0.331 139 G C 0.880 175.758 174.900 -0.036 0.000 1.168 139 G CA 0.230 45.330 45.100 -0.000 0.000 0.936 139 G HN 0.906 nan 8.290 nan 0.000 0.479 140 S N 1.071 116.741 115.700 -0.050 0.000 2.402 140 S HA 0.046 4.516 4.470 -0.000 0.000 0.233 140 S C 2.060 176.583 174.600 -0.129 0.000 1.030 140 S CA 1.295 59.440 58.200 -0.091 0.000 1.003 140 S CB -0.870 62.271 63.200 -0.098 0.000 0.813 140 S HN 2.368 nan 8.310 nan 0.000 0.477 141 G N 1.506 110.224 108.800 -0.136 0.000 2.611 141 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.301 141 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.301 141 G C 0.729 175.451 174.900 -0.296 0.000 1.233 141 G CA 1.714 46.729 45.100 -0.142 0.000 0.993 141 G HN 1.383 nan 8.290 nan 0.000 0.553 142 T N -0.155 114.318 114.554 -0.135 0.000 3.145 142 T HA 0.457 4.807 4.350 -0.000 0.000 0.255 142 T C 2.393 177.071 174.700 -0.036 0.000 1.039 142 T CA 1.061 63.115 62.100 -0.077 0.000 0.928 142 T CB -0.348 68.541 68.868 0.036 0.000 1.029 142 T HN 1.277 nan 8.240 nan 0.000 0.554 143 I N -0.784 119.759 120.570 -0.045 0.000 2.145 143 I HA -0.185 3.985 4.170 -0.000 0.000 0.244 143 I C 2.056 178.191 176.117 0.030 0.000 1.075 143 I CA 1.402 62.717 61.300 0.025 0.000 1.332 143 I CB -0.853 37.167 38.000 0.032 0.000 1.033 143 I HN 0.115 nan 8.210 nan 0.000 0.410 144 L N 1.451 122.669 121.223 -0.009 0.000 2.079 144 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 144 L C 2.212 179.120 176.870 0.062 0.000 1.081 144 L CA 1.938 56.795 54.840 0.028 0.000 0.752 144 L CB -1.056 41.017 42.059 0.023 0.000 0.896 144 L HN 0.344 nan 8.230 nan 0.000 0.433 145 D N -1.785 118.658 120.400 0.071 0.000 2.149 145 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 145 D C 2.041 178.403 176.300 0.103 0.000 0.972 145 D CA 1.457 55.509 54.000 0.086 0.000 0.835 145 D CB -0.114 40.744 40.800 0.096 0.000 0.966 145 D HN 0.298 nan 8.370 nan 0.000 0.476 146 T N 0.785 115.406 114.554 0.112 0.000 2.821 146 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 146 T C 2.025 176.796 174.700 0.117 0.000 1.046 146 T CA 1.235 63.429 62.100 0.157 0.000 1.139 146 T CB -0.083 68.873 68.868 0.147 0.000 0.871 146 T HN 0.175 nan 8.240 nan 0.000 0.454 147 A N 1.547 124.417 122.820 0.083 0.000 1.929 147 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 147 A C 2.267 179.892 177.584 0.067 0.000 1.176 147 A CA 1.390 53.461 52.037 0.056 0.000 0.628 147 A CB -0.409 18.623 19.000 0.054 0.000 0.816 147 A HN 0.259 nan 8.150 nan 0.000 0.444 148 R N -0.957 119.598 120.500 0.092 0.000 2.092 148 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 148 R C 1.728 178.120 176.300 0.153 0.000 1.119 148 R CA 1.388 57.547 56.100 0.099 0.000 0.970 148 R CB -0.944 29.409 30.300 0.088 0.000 0.864 148 R HN 0.432 nan 8.270 nan 0.000 0.440 149 F N 1.402 121.323 119.950 -0.049 0.000 2.069 149 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 149 F C 1.750 177.483 175.800 -0.111 0.000 1.113 149 F CA 1.780 59.714 58.000 -0.110 0.000 1.214 149 F CB -0.531 38.372 39.000 -0.163 0.000 0.978 149 F HN -0.003 nan 8.300 nan 0.000 0.474 150 R N 0.038 120.489 120.500 -0.080 0.000 2.096 150 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 150 R C 2.395 178.654 176.300 -0.070 0.000 1.127 150 R CA 1.196 57.179 56.100 -0.194 0.000 0.968 150 R CB -0.845 29.359 30.300 -0.160 0.000 0.861 150 R HN 0.349 nan 8.270 nan 0.000 0.440 151 A N 1.413 124.235 122.820 0.003 0.000 1.877 151 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 151 A C 2.190 179.807 177.584 0.054 0.000 1.186 151 A CA 1.180 53.234 52.037 0.028 0.000 0.620 151 A CB -0.504 18.523 19.000 0.044 0.000 0.822 151 A HN 0.165 nan 8.150 nan 0.000 0.443 152 L N -0.740 120.535 121.223 0.087 0.000 2.027 152 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 152 L C 2.588 179.539 176.870 0.135 0.000 1.074 152 L CA 0.998 55.912 54.840 0.123 0.000 0.745 152 L CB -0.518 41.638 42.059 0.162 0.000 0.898 152 L HN 0.369 nan 8.230 nan 0.000 0.433 153 L N -0.442 120.825 121.223 0.073 0.000 2.012 153 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 153 L C 2.892 179.834 176.870 0.119 0.000 1.073 153 L CA 1.313 56.197 54.840 0.073 0.000 0.748 153 L CB -0.819 41.152 42.059 -0.147 0.000 0.891 153 L HN 0.272 nan 8.230 nan 0.000 0.431 154 A N -0.027 122.816 122.820 0.038 0.000 1.865 154 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 154 A C 2.294 179.923 177.584 0.075 0.000 1.191 154 A CA 2.113 54.169 52.037 0.032 0.000 0.623 154 A CB -0.729 18.270 19.000 -0.001 0.000 0.826 154 A HN 0.525 nan 8.150 nan 0.000 0.444 155 E N -1.853 118.402 120.200 0.093 0.000 2.160 155 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 155 E C 1.800 178.482 176.600 0.137 0.000 0.991 155 E CA 1.589 58.048 56.400 0.098 0.000 0.810 155 E CB -0.315 29.446 29.700 0.102 0.000 0.742 155 E HN 0.720 nan 8.360 nan 0.000 0.466 156 Y N 1.209 121.547 120.300 0.064 0.000 2.092 156 Y HA -0.129 4.421 4.550 -0.000 0.000 0.282 156 Y C 1.994 177.943 175.900 0.083 0.000 1.126 156 Y CA 1.763 59.911 58.100 0.080 0.000 1.111 156 Y CB -0.432 38.093 38.460 0.109 0.000 0.987 156 Y HN -0.008 nan 8.280 nan 0.000 0.489 157 L N 0.610 121.879 121.223 0.076 0.000 2.450 157 L HA -0.127 4.213 4.340 -0.000 0.000 0.224 157 L C 0.521 177.403 176.870 0.021 0.000 1.149 157 L CA 1.146 56.006 54.840 0.034 0.000 0.816 157 L CB -0.538 41.652 42.059 0.218 0.000 0.932 157 L HN 0.283 nan 8.230 nan 0.000 0.449 158 R N -1.165 119.340 120.500 0.007 0.000 3.423 158 R HA -0.137 4.203 4.340 -0.000 0.000 0.271 158 R C -0.450 175.866 176.300 0.027 0.000 1.093 158 R CA 0.319 56.424 56.100 0.007 0.000 0.730 158 R CB -2.163 28.125 30.300 -0.020 0.000 1.190 158 R HN 0.244 nan 8.270 nan 0.000 0.437 159 V N -0.712 119.218 119.914 0.027 0.000 3.164 159 V HA 0.869 4.989 4.120 -0.000 0.000 0.313 159 V C -0.570 175.516 176.094 -0.014 0.000 1.188 159 V CA -0.183 62.121 62.300 0.006 0.000 1.058 159 V CB 2.262 34.075 31.823 -0.018 0.000 1.110 159 V HN 0.334 nan 8.190 nan 0.000 0.453 160 A N 2.581 125.382 122.820 -0.033 0.000 2.327 160 A HA 0.644 4.963 4.320 -0.000 0.000 0.283 160 A C -1.894 175.661 177.584 -0.048 0.000 1.127 160 A CA -1.228 50.790 52.037 -0.032 0.000 0.810 160 A CB 0.551 19.532 19.000 -0.032 0.000 1.066 160 A HN 0.719 nan 8.150 nan 0.000 0.492 161 P HA -0.192 nan 4.420 nan 0.000 0.217 161 P C 0.987 178.260 177.300 -0.044 0.000 1.148 161 P CA 1.317 64.393 63.100 -0.039 0.000 0.828 161 P CB 0.252 31.941 31.700 -0.018 0.000 0.783 162 Q N -1.267 118.510 119.800 -0.038 0.000 2.224 162 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 162 Q C 2.052 178.007 176.000 -0.075 0.000 0.970 162 Q CA 1.381 57.166 55.803 -0.030 0.000 0.865 162 Q CB -1.045 27.676 28.738 -0.029 0.000 0.922 162 Q HN 0.206 nan 8.270 nan 0.000 0.445 163 S N -0.666 114.962 115.700 -0.119 0.000 2.522 163 S HA 0.054 4.524 4.470 -0.000 0.000 0.227 163 S C 0.450 174.899 174.600 -0.251 0.000 0.986 163 S CA 0.009 58.088 58.200 -0.201 0.000 0.929 163 S CB 0.318 63.407 63.200 -0.185 0.000 0.769 163 S HN 0.044 nan 8.310 nan 0.000 0.529 164 V N 2.746 122.556 119.914 -0.173 0.000 2.364 164 V HA 0.248 4.368 4.120 -0.000 0.000 0.272 164 V C -0.301 175.741 176.094 -0.088 0.000 1.036 164 V CA -0.445 61.743 62.300 -0.188 0.000 0.880 164 V CB 0.535 32.241 31.823 -0.195 0.000 0.991 164 V HN 0.413 nan 8.190 nan 0.000 0.460 165 H N 3.869 122.740 119.070 -0.332 0.000 2.697 165 H HA 0.673 5.229 4.556 -0.000 0.000 0.270 165 H C 0.013 175.012 175.328 -0.549 0.000 1.188 165 H CA -0.283 55.511 56.048 -0.422 0.000 1.322 165 H CB 1.355 30.901 29.762 -0.359 0.000 1.405 165 H HN 0.791 nan 8.280 nan 0.000 0.502 166 A N 3.168 125.660 122.820 -0.546 0.000 2.413 166 A HA 0.638 4.958 4.320 -0.000 0.000 0.307 166 A C -1.709 175.569 177.584 -0.510 0.000 1.087 166 A CA -0.571 51.099 52.037 -0.612 0.000 0.750 166 A CB 1.388 19.806 19.000 -0.970 0.000 1.296 166 A HN 0.473 nan 8.150 nan 0.000 0.423 167 Y N -0.600 119.676 120.300 -0.041 0.000 2.598 167 Y HA 0.645 5.195 4.550 -0.000 0.000 0.340 167 Y C -0.180 175.822 175.900 0.170 0.000 1.038 167 Y CA -1.186 56.943 58.100 0.048 0.000 1.100 167 Y CB 2.362 40.817 38.460 -0.008 0.000 1.281 167 Y HN 0.378 nan 8.280 nan 0.000 0.488 168 V N 3.809 123.895 119.914 0.287 0.000 2.488 168 V HA 0.429 4.549 4.120 -0.000 0.000 0.293 168 V C -0.969 175.161 176.094 0.061 0.000 1.027 168 V CA -0.564 61.801 62.300 0.109 0.000 0.862 168 V CB 1.088 32.944 31.823 0.055 0.000 1.008 168 V HN 0.479 nan 8.190 nan 0.000 0.428 169 L N 3.373 124.609 121.223 0.023 0.000 2.260 169 L HA 1.092 5.432 4.340 -0.000 0.000 0.265 169 L C 0.963 177.824 176.870 -0.014 0.000 1.015 169 L CA 0.576 55.405 54.840 -0.019 0.000 0.826 169 L CB 1.282 43.309 42.059 -0.054 0.000 1.373 169 L HN 0.857 nan 8.230 nan 0.000 0.450 170 G N -0.328 108.454 108.800 -0.030 0.000 2.481 170 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.230 170 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.230 170 G C -0.406 174.491 174.900 -0.005 0.000 1.210 170 G CA -0.050 45.037 45.100 -0.021 0.000 0.936 170 G HN 0.790 nan 8.290 nan 0.000 0.583 171 E N 0.625 120.827 120.200 0.004 0.000 2.354 171 E HA 0.241 4.591 4.350 -0.000 0.000 0.269 171 E C 0.021 176.661 176.600 0.067 0.000 1.036 171 E CA -0.445 55.968 56.400 0.021 0.000 0.876 171 E CB 0.249 29.949 29.700 -0.001 0.000 1.009 171 E HN 0.589 nan 8.360 nan 0.000 0.416 172 H N 3.924 122.982 119.070 -0.020 0.000 3.092 172 H HA 0.309 4.865 4.556 -0.000 0.000 0.263 172 H C -0.249 175.074 175.328 -0.008 0.000 1.611 172 H CA 0.172 56.213 56.048 -0.012 0.000 1.457 172 H CB -0.252 29.506 29.762 -0.007 0.000 1.731 172 H HN 0.667 nan 8.280 nan 0.000 0.532 173 G N 3.168 111.880 108.800 -0.147 0.000 2.474 173 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.234 173 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.234 173 G C -0.084 174.756 174.900 -0.100 0.000 1.204 173 G CA -0.055 44.940 45.100 -0.175 0.000 0.939 173 G HN 0.422 nan 8.290 nan 0.000 0.491 174 D N -0.135 120.220 120.400 -0.075 0.000 2.183 174 D HA -0.051 4.589 4.640 -0.000 0.000 0.203 174 D C 2.351 178.624 176.300 -0.044 0.000 0.969 174 D CA 2.007 55.971 54.000 -0.060 0.000 0.842 174 D CB 0.106 40.872 40.800 -0.057 0.000 0.957 174 D HN 0.366 nan 8.370 nan 0.000 0.484 175 S N -0.235 115.444 115.700 -0.035 0.000 2.660 175 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 175 S C 0.357 174.947 174.600 -0.017 0.000 0.948 175 S CA -0.648 57.539 58.200 -0.022 0.000 0.948 175 S CB -0.733 62.457 63.200 -0.017 0.000 0.779 175 S HN 0.372 nan 8.310 nan 0.000 0.487 176 E N 0.834 121.022 120.200 -0.020 0.000 2.398 176 E HA 0.338 4.688 4.350 -0.000 0.000 0.263 176 E C -0.927 175.662 176.600 -0.020 0.000 1.046 176 E CA -0.784 55.609 56.400 -0.012 0.000 0.908 176 E CB 0.763 30.462 29.700 -0.001 0.000 0.963 176 E HN 0.107 nan 8.360 nan 0.000 0.431 177 V N 3.745 123.650 119.914 -0.014 0.000 2.398 177 V HA 0.183 4.303 4.120 -0.000 0.000 0.286 177 V C 0.097 176.168 176.094 -0.038 0.000 1.026 177 V CA -0.835 61.461 62.300 -0.006 0.000 0.868 177 V CB 1.113 32.949 31.823 0.022 0.000 0.982 177 V HN 0.598 nan 8.190 nan 0.000 0.443 178 L N 5.252 126.422 121.223 -0.088 0.000 2.268 178 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 178 L C -0.095 176.742 176.870 -0.056 0.000 1.064 178 L CA -0.455 54.199 54.840 -0.310 0.000 0.824 178 L CB 1.418 43.040 42.059 -0.728 0.000 1.202 178 L HN 0.411 nan 8.230 nan 0.000 0.433 179 V N 3.768 123.743 119.914 0.101 0.000 2.341 179 V HA -0.031 4.089 4.120 -0.000 0.000 0.248 179 V C 0.604 176.813 176.094 0.192 0.000 1.107 179 V CA 0.126 62.535 62.300 0.182 0.000 1.069 179 V CB -0.132 31.811 31.823 0.199 0.000 1.177 179 V HN 0.768 nan 8.190 nan 0.000 0.492 180 W N 2.198 123.631 121.300 0.222 0.000 2.453 180 W HA -0.099 4.561 4.660 -0.000 0.000 0.289 180 W C 2.660 179.248 176.519 0.113 0.000 1.215 180 W CA 1.073 58.537 57.345 0.199 0.000 1.297 180 W CB -0.529 29.026 29.460 0.157 0.000 1.113 180 W HN 0.684 nan 8.180 nan 0.000 0.551 181 S N 0.766 116.661 115.700 0.325 0.000 2.392 181 S HA -0.269 4.201 4.470 -0.000 0.000 0.225 181 S C 1.708 176.398 174.600 0.150 0.000 1.041 181 S CA 1.944 60.265 58.200 0.202 0.000 1.100 181 S CB -1.457 61.837 63.200 0.157 0.000 1.029 181 S HN 0.182 nan 8.310 nan 0.000 0.424 182 S N 1.678 117.456 115.700 0.130 0.000 2.763 182 S HA 0.680 5.150 4.470 -0.000 0.000 0.237 182 S C 0.353 174.980 174.600 0.045 0.000 0.966 182 S CA -0.290 57.965 58.200 0.092 0.000 1.017 182 S CB -0.620 62.642 63.200 0.104 0.000 0.780 182 S HN 0.834 nan 8.310 nan 0.000 0.476 183 A N 1.190 124.026 122.820 0.027 0.000 2.388 183 A HA 0.653 4.973 4.320 -0.000 0.000 0.257 183 A C 0.107 177.648 177.584 -0.072 0.000 1.095 183 A CA -0.461 51.525 52.037 -0.086 0.000 0.791 183 A CB 0.452 19.361 19.000 -0.150 0.000 1.029 183 A HN 0.619 nan 8.150 nan 0.000 0.489 184 Q N -0.227 119.493 119.800 -0.134 0.000 2.484 184 Q HA 0.670 5.010 4.340 -0.000 0.000 0.285 184 Q C -1.561 174.301 176.000 -0.229 0.000 1.097 184 Q CA -0.816 54.904 55.803 -0.139 0.000 0.802 184 Q CB 2.768 31.435 28.738 -0.118 0.000 1.444 184 Q HN 0.446 nan 8.270 nan 0.000 0.429 185 V N 1.169 120.901 119.914 -0.304 0.000 2.445 185 V HA 0.557 4.677 4.120 -0.000 0.000 0.283 185 V C 0.343 176.162 176.094 -0.459 0.000 1.014 185 V CA -0.003 62.019 62.300 -0.462 0.000 0.852 185 V CB 1.078 32.431 31.823 -0.783 0.000 1.021 185 V HN 1.002 nan 8.190 nan 0.000 0.435 186 G N 3.136 111.722 108.800 -0.356 0.000 2.182 186 G HA2 0.119 4.079 3.960 -0.000 0.000 0.248 186 G HA3 0.119 4.079 3.960 -0.000 0.000 0.248 186 G C 1.117 175.893 174.900 -0.207 0.000 1.042 186 G CA 0.497 45.434 45.100 -0.272 0.000 0.775 186 G HN 2.282 nan 8.290 nan 0.000 0.501 187 G N -3.021 105.648 108.800 -0.220 0.000 2.184 187 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.264 187 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.264 187 G C 0.420 175.268 174.900 -0.088 0.000 0.975 187 G CA 0.766 45.781 45.100 -0.141 0.000 0.642 187 G HN 1.717 nan 8.290 nan 0.000 0.536 188 V N 1.325 121.178 119.914 -0.100 0.000 2.513 188 V HA 0.515 4.635 4.120 -0.000 0.000 0.299 188 V C -1.931 174.152 176.094 -0.018 0.000 1.035 188 V CA -1.944 60.338 62.300 -0.030 0.000 0.889 188 V CB 1.992 33.831 31.823 0.026 0.000 0.988 188 V HN 0.023 nan 8.190 nan 0.000 0.440 189 P HA -0.011 nan 4.420 nan 0.000 0.258 189 P C 0.875 178.237 177.300 0.104 0.000 1.172 189 P CA 0.557 63.691 63.100 0.057 0.000 0.762 189 P CB 0.467 32.210 31.700 0.072 0.000 0.764 190 L N 4.773 126.042 121.223 0.076 0.000 1.970 190 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 190 L C 1.985 178.991 176.870 0.227 0.000 1.071 190 L CA 1.650 56.565 54.840 0.125 0.000 0.751 190 L CB -0.481 41.615 42.059 0.061 0.000 0.889 190 L HN 0.325 nan 8.230 nan 0.000 0.432 191 L N -0.135 121.205 121.223 0.194 0.000 2.051 191 L HA -0.316 4.024 4.340 -0.000 0.000 0.214 191 L C 2.653 179.620 176.870 0.161 0.000 1.076 191 L CA 2.060 57.012 54.840 0.186 0.000 0.758 191 L CB -0.665 41.484 42.059 0.150 0.000 0.890 191 L HN 0.476 nan 8.230 nan 0.000 0.433 192 E N -0.155 120.134 120.200 0.148 0.000 2.072 192 E HA -0.251 4.099 4.350 -0.000 0.000 0.190 192 E C 2.188 178.864 176.600 0.126 0.000 0.982 192 E CA 0.935 57.403 56.400 0.115 0.000 0.803 192 E CB -0.118 29.642 29.700 0.100 0.000 0.755 192 E HN 0.345 nan 8.360 nan 0.000 0.453 193 F N 1.666 121.640 119.950 0.041 0.000 2.063 193 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 193 F C 2.170 177.993 175.800 0.038 0.000 1.109 193 F CA 1.992 60.011 58.000 0.030 0.000 1.212 193 F CB -0.710 38.305 39.000 0.024 0.000 0.973 193 F HN 0.104 nan 8.300 nan 0.000 0.480 194 A N -0.166 122.744 122.820 0.150 0.000 1.958 194 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 194 A C 1.415 178.956 177.584 -0.072 0.000 1.178 194 A CA 1.587 53.665 52.037 0.068 0.000 0.642 194 A CB -0.976 18.176 19.000 0.254 0.000 0.816 194 A HN 0.599 nan 8.150 nan 0.000 0.453 203 P HA -0.060 nan 4.420 nan 0.000 0.222 203 P C 1.132 178.345 177.300 -0.145 0.000 1.147 203 P CA 1.152 64.161 63.100 -0.151 0.000 0.790 203 P CB 0.094 31.728 31.700 -0.111 0.000 0.780 204 E N 0.363 120.504 120.200 -0.097 0.000 2.158 204 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 204 E C 1.261 177.812 176.600 -0.083 0.000 0.982 204 E CA 0.739 57.094 56.400 -0.074 0.000 0.823 204 E CB -0.250 29.427 29.700 -0.039 0.000 0.766 204 E HN 0.085 nan 8.360 nan 0.000 0.468 205 D N 0.966 121.304 120.400 -0.104 0.000 2.104 205 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 205 D C 2.115 178.331 176.300 -0.140 0.000 0.994 205 D CA 1.000 54.917 54.000 -0.138 0.000 0.830 205 D CB -0.214 40.439 40.800 -0.245 0.000 0.959 205 D HN 0.202 nan 8.370 nan 0.000 0.452 206 R N 0.626 120.975 120.500 -0.252 0.000 2.096 206 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 206 R C 2.336 178.559 176.300 -0.129 0.000 1.127 206 R CA 1.195 57.055 56.100 -0.399 0.000 0.968 206 R CB -0.263 29.490 30.300 -0.912 0.000 0.861 206 R HN 0.098 nan 8.270 nan 0.000 0.440 207 A N 1.295 124.040 122.820 -0.124 0.000 1.877 207 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 207 A C 2.153 179.740 177.584 0.006 0.000 1.186 207 A CA 1.416 53.422 52.037 -0.052 0.000 0.620 207 A CB -0.515 18.448 19.000 -0.061 0.000 0.822 207 A HN 0.246 nan 8.150 nan 0.000 0.443 208 R N -0.225 120.280 120.500 0.007 0.000 2.080 208 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 208 R C 1.999 178.343 176.300 0.074 0.000 1.137 208 R CA 2.101 58.222 56.100 0.034 0.000 0.943 208 R CB -0.445 29.873 30.300 0.029 0.000 0.846 208 R HN 0.557 nan 8.270 nan 0.000 0.431 209 I N 0.753 121.400 120.570 0.128 0.000 2.286 209 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 209 I C 2.282 178.490 176.117 0.152 0.000 1.115 209 I CA 1.300 62.715 61.300 0.191 0.000 1.392 209 I CB -0.530 37.688 38.000 0.365 0.000 1.065 209 I HN 0.385 nan 8.210 nan 0.000 0.418 210 D N 0.827 121.339 120.400 0.186 0.000 2.149 210 D HA -0.258 4.382 4.640 -0.000 0.000 0.198 210 D C 2.015 178.330 176.300 0.025 0.000 0.990 210 D CA 1.492 55.553 54.000 0.102 0.000 0.839 210 D CB 0.199 41.069 40.800 0.117 0.000 0.948 210 D HN 0.444 nan 8.370 nan 0.000 0.460 211 E N -0.453 119.767 120.200 0.034 0.000 2.076 211 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 211 E C 2.109 178.727 176.600 0.029 0.000 0.979 211 E CA 1.010 57.421 56.400 0.018 0.000 0.807 211 E CB -0.274 29.436 29.700 0.016 0.000 0.761 211 E HN 0.230 nan 8.360 nan 0.000 0.454 212 G N 0.274 109.102 108.800 0.046 0.000 2.450 212 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 212 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 212 G C 1.524 176.450 174.900 0.044 0.000 1.130 212 G CA 1.050 46.182 45.100 0.054 0.000 0.760 212 G HN 0.227 nan 8.290 nan 0.000 0.557 213 V N -0.039 119.885 119.914 0.018 0.000 2.341 213 V HA 0.048 4.168 4.120 -0.000 0.000 0.240 213 V C 2.663 178.754 176.094 -0.006 0.000 1.035 213 V CA 1.552 63.848 62.300 -0.007 0.000 1.033 213 V CB -0.384 31.375 31.823 -0.108 0.000 0.678 213 V HN 0.306 nan 8.190 nan 0.000 0.464 214 R N 0.070 120.554 120.500 -0.027 0.000 2.120 214 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 214 R C 1.916 178.214 176.300 -0.003 0.000 1.123 214 R CA 1.044 57.129 56.100 -0.025 0.000 0.975 214 R CB 0.072 30.347 30.300 -0.042 0.000 0.866 214 R HN 0.283 nan 8.270 nan 0.000 0.446 215 R N -0.333 120.178 120.500 0.019 0.000 2.388 215 R HA 0.192 4.532 4.340 -0.000 0.000 0.247 215 R C 1.351 177.724 176.300 0.121 0.000 0.931 215 R CA 0.489 56.629 56.100 0.067 0.000 1.082 215 R CB 0.249 30.579 30.300 0.049 0.000 1.135 215 R HN 0.206 nan 8.270 nan 0.000 0.525 216 A N 1.544 124.411 122.820 0.078 0.000 1.835 216 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 216 A C 2.322 179.945 177.584 0.066 0.000 1.199 216 A CA 1.923 54.003 52.037 0.071 0.000 0.615 216 A CB -0.688 18.348 19.000 0.061 0.000 0.838 216 A HN 0.292 nan 8.150 nan 0.000 0.444 217 A N -1.493 121.365 122.820 0.063 0.000 1.892 217 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 217 A C 2.165 179.769 177.584 0.034 0.000 1.188 217 A CA 1.998 54.058 52.037 0.039 0.000 0.631 217 A CB -1.029 17.983 19.000 0.020 0.000 0.822 217 A HN 0.841 nan 8.150 nan 0.000 0.447 218 Y N 0.669 120.951 120.300 -0.030 0.000 2.081 218 Y HA -0.287 4.263 4.550 -0.000 0.000 0.280 218 Y C 2.539 178.428 175.900 -0.017 0.000 1.163 218 Y CA 2.376 60.460 58.100 -0.026 0.000 1.135 218 Y CB -0.365 38.079 38.460 -0.026 0.000 0.970 218 Y HN 0.268 nan 8.280 nan 0.000 0.498 219 R N -0.049 120.456 120.500 0.007 0.000 2.105 219 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 219 R C 2.282 178.507 176.300 -0.125 0.000 1.135 219 R CA 1.966 58.024 56.100 -0.070 0.000 0.967 219 R CB -0.541 29.793 30.300 0.056 0.000 0.861 219 R HN 0.447 nan 8.270 nan 0.000 0.442 220 I N 0.597 121.115 120.570 -0.087 0.000 2.202 220 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 220 I C 2.249 178.290 176.117 -0.127 0.000 1.091 220 I CA 0.949 62.194 61.300 -0.092 0.000 1.368 220 I CB -0.243 37.712 38.000 -0.075 0.000 1.058 220 I HN 0.076 nan 8.210 nan 0.000 0.410 221 I N 0.794 121.276 120.570 -0.147 0.000 2.208 221 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 221 I C 2.594 178.597 176.117 -0.190 0.000 1.097 221 I CA 1.662 62.874 61.300 -0.148 0.000 1.363 221 I CB -1.210 36.701 38.000 -0.149 0.000 1.051 221 I HN 0.316 nan 8.210 nan 0.000 0.413 222 E N 1.348 121.360 120.200 -0.313 0.000 2.085 222 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 222 E C 2.138 178.643 176.600 -0.158 0.000 0.994 222 E CA 1.894 58.112 56.400 -0.303 0.000 0.801 222 E CB -0.539 28.888 29.700 -0.456 0.000 0.743 222 E HN 0.421 nan 8.360 nan 0.000 0.453 223 G N -1.079 107.645 108.800 -0.126 0.000 2.744 223 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.211 223 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.211 223 G C 1.343 176.212 174.900 -0.052 0.000 1.146 223 G CA 0.234 45.290 45.100 -0.072 0.000 0.787 223 G HN 0.168 nan 8.290 nan 0.000 0.534 224 K N -1.291 119.071 120.400 -0.062 0.000 2.464 224 K HA 0.288 4.608 4.320 -0.000 0.000 0.206 224 K C 1.562 178.152 176.600 -0.018 0.000 1.186 224 K CA 0.475 56.740 56.287 -0.037 0.000 0.990 224 K CB 1.187 33.644 32.500 -0.072 0.000 1.003 224 K HN 0.217 nan 8.250 nan 0.000 0.562 225 G N 1.212 109.986 108.800 -0.043 0.000 2.199 225 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 225 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 225 G C 0.066 174.961 174.900 -0.009 0.000 0.982 225 G CA 0.160 45.243 45.100 -0.028 0.000 0.632 225 G HN 0.593 nan 8.290 nan 0.000 0.529 226 A N -1.710 121.109 122.820 -0.000 0.000 2.567 226 A HA 0.944 5.264 4.320 -0.000 0.000 0.291 226 A C -0.249 177.317 177.584 -0.030 0.000 1.048 226 A CA 0.761 52.819 52.037 0.034 0.000 0.661 226 A CB 0.583 19.655 19.000 0.119 0.000 1.288 226 A HN 1.967 nan 8.150 nan 0.000 0.424 227 T N -1.625 112.921 114.554 -0.013 0.000 2.887 227 T HA 0.749 5.099 4.350 -0.000 0.000 0.288 227 T C -0.095 174.586 174.700 -0.030 0.000 1.021 227 T CA 0.349 62.358 62.100 -0.152 0.000 1.000 227 T CB 1.230 70.066 68.868 -0.053 0.000 1.034 227 T HN 1.808 nan 8.240 nan 0.000 0.467 228 Y N -1.088 119.150 120.300 -0.105 0.000 2.508 228 Y HA 0.262 4.812 4.550 -0.000 0.000 0.292 228 Y C 1.415 177.312 175.900 -0.006 0.000 1.038 228 Y CA -0.756 57.284 58.100 -0.101 0.000 0.969 228 Y CB -0.439 37.905 38.460 -0.193 0.000 1.388 228 Y HN 0.480 nan 8.280 nan 0.000 0.570 229 Y N 2.425 122.701 120.300 -0.039 0.000 2.097 229 Y HA 0.012 4.562 4.550 -0.000 0.000 0.282 229 Y C 2.756 178.682 175.900 0.042 0.000 1.152 229 Y CA 1.645 59.780 58.100 0.058 0.000 1.136 229 Y CB -1.139 37.306 38.460 -0.025 0.000 0.975 229 Y HN 0.340 nan 8.280 nan 0.000 0.498 230 G N -0.081 108.817 108.800 0.163 0.000 2.491 230 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 230 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 230 G C 1.718 176.671 174.900 0.087 0.000 1.180 230 G CA 1.261 46.422 45.100 0.102 0.000 0.774 230 G HN 0.381 nan 8.290 nan 0.000 0.562 231 I N 1.896 122.515 120.570 0.080 0.000 2.614 231 I HA 0.081 4.251 4.170 -0.000 0.000 0.258 231 I C 2.640 178.799 176.117 0.071 0.000 1.189 231 I CA 1.100 62.434 61.300 0.057 0.000 1.462 231 I CB -0.561 37.471 38.000 0.055 0.000 1.092 231 I HN 0.093 nan 8.210 nan 0.000 0.442 232 G N 0.023 108.897 108.800 0.124 0.000 2.421 232 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 232 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 232 G C 1.721 176.675 174.900 0.090 0.000 1.171 232 G CA 0.699 45.879 45.100 0.133 0.000 0.775 232 G HN 0.546 nan 8.290 nan 0.000 0.543 233 A N 0.691 123.565 122.820 0.090 0.000 1.929 233 A HA 0.260 4.580 4.320 -0.000 0.000 0.216 233 A C 2.677 180.273 177.584 0.019 0.000 1.176 233 A CA 1.850 53.917 52.037 0.050 0.000 0.628 233 A CB -0.903 18.128 19.000 0.053 0.000 0.816 233 A HN 0.492 nan 8.150 nan 0.000 0.444 234 G N -0.193 108.618 108.800 0.019 0.000 2.418 234 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 234 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 234 G C 1.387 176.257 174.900 -0.050 0.000 1.158 234 G CA 1.144 46.238 45.100 -0.011 0.000 0.771 234 G HN 0.330 nan 8.290 nan 0.000 0.545 235 L N 1.371 122.574 121.223 -0.033 0.000 2.046 235 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 235 L C 3.261 180.095 176.870 -0.060 0.000 1.077 235 L CA 1.635 56.446 54.840 -0.050 0.000 0.747 235 L CB -1.068 40.979 42.059 -0.019 0.000 0.896 235 L HN 0.291 nan 8.230 nan 0.000 0.432 236 A N -0.943 121.857 122.820 -0.035 0.000 1.940 236 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 236 A C 2.456 180.000 177.584 -0.066 0.000 1.176 236 A CA 1.841 53.854 52.037 -0.039 0.000 0.631 236 A CB -0.464 18.525 19.000 -0.018 0.000 0.814 236 A HN 0.335 nan 8.150 nan 0.000 0.446 237 R N 0.025 120.479 120.500 -0.077 0.000 2.066 237 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 237 R C 1.956 178.127 176.300 -0.214 0.000 1.131 237 R CA 1.577 57.615 56.100 -0.104 0.000 0.955 237 R CB -0.752 29.503 30.300 -0.074 0.000 0.851 237 R HN 0.513 nan 8.270 nan 0.000 0.432 238 L N -0.213 120.841 121.223 -0.282 0.000 2.079 238 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 238 L C 2.232 178.973 176.870 -0.214 0.000 1.081 238 L CA 1.190 55.812 54.840 -0.365 0.000 0.752 238 L CB -0.496 41.389 42.059 -0.291 0.000 0.896 238 L HN 0.094 nan 8.230 nan 0.000 0.433 239 V N -0.173 119.659 119.914 -0.137 0.000 2.427 239 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 239 V C 2.632 178.679 176.094 -0.077 0.000 1.051 239 V CA 1.844 64.089 62.300 -0.090 0.000 1.048 239 V CB -0.669 31.114 31.823 -0.066 0.000 0.666 239 V HN 0.458 nan 8.190 nan 0.000 0.456 240 R N 0.480 120.932 120.500 -0.080 0.000 2.092 240 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 240 R C 2.260 178.536 176.300 -0.041 0.000 1.119 240 R CA 1.513 57.581 56.100 -0.053 0.000 0.970 240 R CB -0.455 29.818 30.300 -0.045 0.000 0.864 240 R HN 0.460 nan 8.270 nan 0.000 0.440 241 A N 0.817 123.596 122.820 -0.069 0.000 1.972 241 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 241 A C 2.074 179.648 177.584 -0.017 0.000 1.169 241 A CA 1.337 53.361 52.037 -0.023 0.000 0.635 241 A CB -0.413 18.534 19.000 -0.087 0.000 0.810 241 A HN 0.383 nan 8.150 nan 0.000 0.446 242 I N -0.594 119.947 120.570 -0.048 0.000 2.277 242 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 242 I C 2.157 178.264 176.117 -0.017 0.000 1.094 242 I CA 0.796 62.078 61.300 -0.030 0.000 1.393 242 I CB -0.315 37.659 38.000 -0.043 0.000 1.078 242 I HN 0.239 nan 8.210 nan 0.000 0.417 243 L N 0.518 121.728 121.223 -0.022 0.000 2.201 243 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 243 L C 2.238 179.105 176.870 -0.006 0.000 1.105 243 L CA 1.703 56.535 54.840 -0.014 0.000 0.775 243 L CB -0.845 41.202 42.059 -0.019 0.000 0.913 243 L HN 0.452 nan 8.230 nan 0.000 0.440 244 T N -5.760 108.793 114.554 -0.002 0.000 3.092 244 T HA 0.066 4.416 4.350 -0.000 0.000 0.258 244 T C 0.649 175.358 174.700 0.014 0.000 1.031 244 T CA -0.019 62.085 62.100 0.006 0.000 0.925 244 T CB 0.011 68.884 68.868 0.009 0.000 1.036 244 T HN 0.181 nan 8.240 nan 0.000 0.544 245 D N 1.730 122.138 120.400 0.014 0.000 2.737 245 D HA -0.229 4.411 4.640 -0.000 0.000 0.233 245 D C 0.838 177.157 176.300 0.031 0.000 1.155 245 D CA 1.053 55.065 54.000 0.020 0.000 0.667 245 D CB -1.266 39.544 40.800 0.016 0.000 1.060 245 D HN 0.771 nan 8.370 nan 0.000 0.427 246 E N 0.885 121.111 120.200 0.044 0.000 2.114 246 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 246 E C 0.778 177.417 176.600 0.064 0.000 1.008 246 E CA 1.794 58.231 56.400 0.062 0.000 0.810 246 E CB -0.004 29.758 29.700 0.103 0.000 0.739 246 E HN 0.505 nan 8.360 nan 0.000 0.456 247 K N -0.755 119.689 120.400 0.074 0.000 3.129 247 K HA -0.156 4.164 4.320 -0.000 0.000 0.273 247 K C -0.021 176.612 176.600 0.055 0.000 1.123 247 K CA 0.166 56.489 56.287 0.060 0.000 0.800 247 K CB -1.821 30.701 32.500 0.035 0.000 1.238 247 K HN 0.378 nan 8.250 nan 0.000 0.492 248 G N -0.133 108.729 108.800 0.103 0.000 2.528 248 G HA2 0.487 4.447 3.960 -0.000 0.000 0.289 248 G HA3 0.487 4.447 3.960 -0.000 0.000 0.289 248 G C -0.243 174.580 174.900 -0.129 0.000 1.192 248 G CA -0.654 44.432 45.100 -0.024 0.000 0.921 248 G HN 0.047 nan 8.290 nan 0.000 0.512 249 V N 1.111 120.808 119.914 -0.361 0.000 2.364 249 V HA 0.372 4.492 4.120 -0.000 0.000 0.272 249 V C -1.000 174.762 176.094 -0.554 0.000 1.036 249 V CA -0.242 61.877 62.300 -0.302 0.000 0.880 249 V CB -0.093 31.625 31.823 -0.175 0.000 0.991 249 V HN 0.548 nan 8.190 nan 0.000 0.460 250 Y N 1.491 121.770 120.300 -0.035 0.000 2.477 250 Y HA 0.438 4.988 4.550 -0.000 0.000 0.347 250 Y C 0.738 176.600 175.900 -0.064 0.000 0.981 250 Y CA -1.124 56.958 58.100 -0.031 0.000 1.033 250 Y CB 2.039 40.478 38.460 -0.035 0.000 1.245 250 Y HN 0.612 nan 8.280 nan 0.000 0.455 251 T N 0.823 115.430 114.554 0.089 0.000 3.185 251 T HA 0.510 4.860 4.350 -0.000 0.000 0.287 251 T C -0.319 174.382 174.700 0.002 0.000 1.051 251 T CA -0.485 61.604 62.100 -0.018 0.000 1.051 251 T CB -1.308 67.558 68.868 -0.003 0.000 1.034 251 T HN 0.541 nan 8.240 nan 0.000 0.685 252 V N 0.205 120.110 119.914 -0.014 0.000 2.960 252 V HA 0.817 4.937 4.120 -0.000 0.000 0.315 252 V C 0.150 176.214 176.094 -0.050 0.000 1.087 252 V CA -1.172 61.111 62.300 -0.028 0.000 0.982 252 V CB 1.706 33.520 31.823 -0.016 0.000 1.039 252 V HN 0.645 nan 8.190 nan 0.000 0.437 253 S N 1.430 117.103 115.700 -0.045 0.000 2.537 253 S HA 0.833 5.303 4.470 -0.000 0.000 0.275 253 S C -0.117 174.464 174.600 -0.031 0.000 1.272 253 S CA 0.387 58.562 58.200 -0.042 0.000 1.050 253 S CB 0.426 63.612 63.200 -0.024 0.000 0.961 253 S HN 2.068 nan 8.310 nan 0.000 0.496 254 A N 3.618 126.412 122.820 -0.044 0.000 2.605 254 A HA 0.572 4.892 4.320 -0.000 0.000 0.294 254 A C -1.031 176.524 177.584 -0.048 0.000 1.062 254 A CA -0.826 51.193 52.037 -0.029 0.000 0.682 254 A CB 0.432 19.409 19.000 -0.039 0.000 1.278 254 A HN 0.883 nan 8.150 nan 0.000 0.410 255 F N 2.006 121.820 119.950 -0.227 0.000 2.590 255 F HA 0.380 4.907 4.527 -0.000 0.000 0.389 255 F C 0.427 176.087 175.800 -0.232 0.000 1.049 255 F CA 1.330 59.148 58.000 -0.303 0.000 1.199 255 F CB 0.521 39.090 39.000 -0.717 0.000 1.058 255 F HN 0.429 nan 8.300 nan 0.000 0.556 256 T N 9.016 123.157 114.554 -0.688 0.000 2.770 256 T HA 0.233 4.583 4.350 -0.000 0.000 0.283 256 T C -1.743 172.578 174.700 -0.631 0.000 0.988 256 T CA -1.068 60.752 62.100 -0.466 0.000 0.957 256 T CB 1.737 70.427 68.868 -0.297 0.000 0.930 256 T HN 0.363 nan 8.240 nan 0.000 0.443 257 P HA -0.101 nan 4.420 nan 0.000 0.214 257 P C 0.332 177.542 177.300 -0.149 0.000 1.163 257 P CA 1.188 64.194 63.100 -0.156 0.000 0.889 257 P CB 0.380 32.088 31.700 0.013 0.000 0.790 258 E N -0.856 119.283 120.200 -0.101 0.000 2.321 258 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 258 E C -2.023 174.553 176.600 -0.040 0.000 0.902 258 E CA -0.844 55.518 56.400 -0.063 0.000 0.758 258 E CB 2.335 32.024 29.700 -0.018 0.000 1.213 258 E HN -0.188 nan 8.360 nan 0.000 0.426 259 V N 4.229 124.115 119.914 -0.046 0.000 2.532 259 V HA 0.315 4.435 4.120 -0.000 0.000 0.294 259 V C -0.429 175.659 176.094 -0.011 0.000 1.036 259 V CA -0.126 62.162 62.300 -0.021 0.000 0.876 259 V CB 1.210 32.997 31.823 -0.060 0.000 1.012 259 V HN 0.914 nan 8.190 nan 0.000 0.432 260 E N 4.598 124.805 120.200 0.011 0.000 2.403 260 E HA -0.183 4.167 4.350 -0.000 0.000 0.241 260 E C 1.006 177.609 176.600 0.005 0.000 1.201 260 E CA 2.071 58.477 56.400 0.011 0.000 0.721 260 E CB -1.196 28.511 29.700 0.011 0.000 1.245 260 E HN 1.998 nan 8.360 nan 0.000 0.392 261 G N -2.761 106.041 108.800 0.003 0.000 2.953 261 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.201 261 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.201 261 G C 0.214 175.117 174.900 0.005 0.000 1.501 261 G CA -0.294 44.809 45.100 0.006 0.000 1.094 261 G HN 0.709 nan 8.290 nan 0.000 0.555 262 V N 3.213 123.124 119.914 -0.005 0.000 2.740 262 V HA 0.490 4.610 4.120 -0.000 0.000 0.303 262 V C 0.977 177.048 176.094 -0.039 0.000 1.054 262 V CA 0.281 62.573 62.300 -0.013 0.000 1.106 262 V CB 1.131 32.936 31.823 -0.030 0.000 0.957 262 V HN 0.493 nan 8.190 nan 0.000 0.486 263 L N 2.851 124.058 121.223 -0.027 0.000 2.330 263 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 263 L C 0.582 177.383 176.870 -0.115 0.000 1.013 263 L CA -0.795 54.015 54.840 -0.049 0.000 0.816 263 L CB 1.149 43.223 42.059 0.025 0.000 1.287 263 L HN 0.710 nan 8.230 nan 0.000 0.435 264 E N 0.325 120.395 120.200 -0.216 0.000 2.222 264 E HA -0.202 4.148 4.350 -0.000 0.000 0.189 264 E C -0.894 175.449 176.600 -0.428 0.000 1.415 264 E CA 0.176 56.343 56.400 -0.388 0.000 0.689 264 E CB -0.656 29.169 29.700 0.208 0.000 1.107 264 E HN 0.288 nan 8.360 nan 0.000 0.350 265 V N 0.424 119.992 119.914 -0.577 0.000 2.925 265 V HA 0.451 4.571 4.120 -0.000 0.000 0.311 265 V C -0.616 175.275 176.094 -0.339 0.000 1.104 265 V CA -0.469 61.635 62.300 -0.327 0.000 0.954 265 V CB 2.629 34.330 31.823 -0.205 0.000 1.022 265 V HN 0.234 nan 8.190 nan 0.000 0.427 266 S N 6.912 122.520 115.700 -0.153 0.000 2.457 266 S HA 0.831 5.301 4.470 -0.000 0.000 0.289 266 S C -0.466 174.086 174.600 -0.081 0.000 1.163 266 S CA -0.499 57.640 58.200 -0.101 0.000 1.078 266 S CB 0.891 64.094 63.200 0.005 0.000 0.987 266 S HN 0.974 nan 8.310 nan 0.000 0.482 267 L N -0.531 120.638 121.223 -0.090 0.000 2.765 267 L HA 0.714 5.054 4.340 -0.000 0.000 0.263 267 L C -0.932 175.893 176.870 -0.076 0.000 1.068 267 L CA -1.018 53.781 54.840 -0.068 0.000 0.903 267 L CB 1.508 43.523 42.059 -0.073 0.000 1.512 267 L HN 0.374 nan 8.230 nan 0.000 0.404 268 S N 1.341 117.004 115.700 -0.061 0.000 2.489 268 S HA 0.770 5.240 4.470 -0.000 0.000 0.277 268 S C -0.421 174.105 174.600 -0.123 0.000 1.230 268 S CA -0.352 57.802 58.200 -0.077 0.000 1.053 268 S CB 0.239 63.412 63.200 -0.046 0.000 0.955 268 S HN 0.400 nan 8.310 nan 0.000 0.488 269 L N 4.097 125.217 121.223 -0.171 0.000 2.466 269 L HA 0.434 4.774 4.340 -0.000 0.000 0.258 269 L C -2.696 173.986 176.870 -0.313 0.000 0.973 269 L CA -2.669 52.011 54.840 -0.268 0.000 0.826 269 L CB 2.441 44.319 42.059 -0.302 0.000 1.372 269 L HN 0.325 nan 8.230 nan 0.000 0.409 270 P HA 0.100 nan 4.420 nan 0.000 0.257 270 P C -1.169 175.959 177.300 -0.287 0.000 1.189 270 P CA 0.423 63.237 63.100 -0.477 0.000 0.780 270 P CB 0.228 31.449 31.700 -0.798 0.000 0.772 271 R N 3.272 123.678 120.500 -0.157 0.000 2.750 271 R HA 0.534 4.874 4.340 -0.000 0.000 0.281 271 R C -0.183 176.106 176.300 -0.019 0.000 0.972 271 R CA -1.091 54.952 56.100 -0.095 0.000 0.912 271 R CB 1.906 32.163 30.300 -0.071 0.000 1.187 271 R HN 0.393 nan 8.270 nan 0.000 0.464 272 I N 3.435 123.998 120.570 -0.012 0.000 2.379 272 I HA 0.100 4.270 4.170 -0.000 0.000 0.290 272 I C -0.469 175.684 176.117 0.060 0.000 1.063 272 I CA -0.455 60.859 61.300 0.023 0.000 1.351 272 I CB 0.700 38.706 38.000 0.010 0.000 1.410 272 I HN 0.200 nan 8.210 nan 0.000 0.505 273 L N 7.380 128.681 121.223 0.129 0.000 2.296 273 L HA 0.815 5.155 4.340 -0.000 0.000 0.286 273 L C 0.106 177.025 176.870 0.081 0.000 1.023 273 L CA 0.356 55.263 54.840 0.111 0.000 0.812 273 L CB 1.171 43.316 42.059 0.143 0.000 1.223 273 L HN 0.630 nan 8.230 nan 0.000 0.421 274 G N 2.371 111.196 108.800 0.040 0.000 3.086 274 G HA2 0.541 4.501 3.960 -0.000 0.000 0.282 274 G HA3 0.541 4.501 3.960 -0.000 0.000 0.282 274 G C 0.186 175.094 174.900 0.012 0.000 1.343 274 G CA -0.110 45.008 45.100 0.030 0.000 0.895 274 G HN 0.785 nan 8.290 nan 0.000 0.557 275 A N -1.068 121.758 122.820 0.011 0.000 2.070 275 A HA 0.211 4.531 4.320 -0.000 0.000 0.220 275 A C 2.140 179.727 177.584 0.004 0.000 1.159 275 A CA 2.320 54.360 52.037 0.004 0.000 0.656 275 A CB -0.527 18.476 19.000 0.006 0.000 0.800 275 A HN 1.344 nan 8.150 nan 0.000 0.453 276 G N -2.350 106.455 108.800 0.008 0.000 3.088 276 G HA2 0.469 4.429 3.960 -0.000 0.000 0.217 276 G HA3 0.469 4.429 3.960 -0.000 0.000 0.217 276 G C 0.849 175.754 174.900 0.010 0.000 1.159 276 G CA 0.619 45.724 45.100 0.009 0.000 0.760 276 G HN 1.541 nan 8.290 nan 0.000 0.550 277 G N -0.787 108.016 108.800 0.006 0.000 2.443 277 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.209 277 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.209 277 G C -0.492 174.413 174.900 0.009 0.000 1.176 277 G CA -0.302 44.800 45.100 0.004 0.000 1.074 277 G HN 0.642 nan 8.290 nan 0.000 0.577 278 V N 1.676 121.594 119.914 0.007 0.000 2.508 278 V HA 0.401 4.521 4.120 -0.000 0.000 0.281 278 V C 1.374 177.474 176.094 0.010 0.000 1.041 278 V CA 1.468 63.772 62.300 0.006 0.000 1.016 278 V CB 1.373 33.191 31.823 -0.009 0.000 0.984 278 V HN 0.801 nan 8.190 nan 0.000 0.478 279 E N 2.903 123.111 120.200 0.014 0.000 2.489 279 E HA 0.364 4.714 4.350 -0.000 0.000 0.204 279 E C 0.626 177.236 176.600 0.017 0.000 1.006 279 E CA 0.527 56.937 56.400 0.017 0.000 0.936 279 E CB 0.806 30.519 29.700 0.021 0.000 1.002 279 E HN 0.901 nan 8.360 nan 0.000 0.488 280 G N -0.775 108.029 108.800 0.007 0.000 2.451 280 G HA2 0.302 4.262 3.960 -0.000 0.000 0.292 280 G HA3 0.302 4.262 3.960 -0.000 0.000 0.292 280 G C -1.205 173.676 174.900 -0.031 0.000 1.427 280 G CA -0.621 44.484 45.100 0.009 0.000 0.792 280 G HN -0.054 nan 8.290 nan 0.000 0.498 281 T N 0.042 114.577 114.554 -0.033 0.000 2.881 281 T HA 0.551 4.901 4.350 -0.000 0.000 0.290 281 T C -0.636 173.960 174.700 -0.174 0.000 1.000 281 T CA -0.414 61.570 62.100 -0.193 0.000 0.978 281 T CB 1.852 70.495 68.868 -0.375 0.000 0.997 281 T HN 0.655 nan 8.240 nan 0.000 0.443 282 V N 4.020 123.789 119.914 -0.243 0.000 2.311 282 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 282 V C -1.002 174.972 176.094 -0.201 0.000 1.022 282 V CA -0.907 61.332 62.300 -0.101 0.000 0.830 282 V CB -0.211 31.573 31.823 -0.064 0.000 1.012 282 V HN 0.789 nan 8.190 nan 0.000 0.452 283 Y N 6.789 127.056 120.300 -0.055 0.000 2.452 283 Y HA 0.469 5.019 4.550 -0.000 0.000 0.348 283 Y C -1.067 174.823 175.900 -0.017 0.000 0.985 283 Y CA -2.409 55.660 58.100 -0.051 0.000 1.214 283 Y CB 0.132 38.571 38.460 -0.034 0.000 1.136 283 Y HN 0.508 nan 8.280 nan 0.000 0.523 284 P HA 0.207 nan 4.420 nan 0.000 0.281 284 P C -0.560 176.811 177.300 0.118 0.000 1.281 284 P CA -0.750 62.424 63.100 0.124 0.000 0.811 284 P CB 1.520 33.320 31.700 0.165 0.000 1.154 285 S N 0.060 115.828 115.700 0.113 0.000 2.505 285 S HA 0.351 4.821 4.470 -0.000 0.000 0.276 285 S C -0.198 174.461 174.600 0.099 0.000 1.274 285 S CA -0.581 57.675 58.200 0.094 0.000 1.053 285 S CB -0.960 62.290 63.200 0.082 0.000 0.919 285 S HN 0.272 nan 8.310 nan 0.000 0.490 286 L N 4.519 125.794 121.223 0.086 0.000 2.346 286 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 286 L C 0.552 177.468 176.870 0.077 0.000 1.006 286 L CA -0.847 54.046 54.840 0.088 0.000 0.817 286 L CB 2.163 44.268 42.059 0.077 0.000 1.272 286 L HN 0.776 nan 8.230 nan 0.000 0.421 287 S N 1.659 117.411 115.700 0.086 0.000 2.593 287 S HA 0.279 4.749 4.470 -0.000 0.000 0.269 287 S C -1.947 172.688 174.600 0.058 0.000 1.334 287 S CA -0.946 57.297 58.200 0.072 0.000 1.015 287 S CB 1.084 64.333 63.200 0.082 0.000 0.912 287 S HN 0.421 nan 8.310 nan 0.000 0.541 288 P HA -0.142 nan 4.420 nan 0.000 0.216 288 P C 1.344 178.666 177.300 0.036 0.000 1.150 288 P CA 1.338 64.460 63.100 0.036 0.000 0.843 288 P CB 0.031 31.748 31.700 0.028 0.000 0.787 289 E N -0.107 120.117 120.200 0.040 0.000 2.268 289 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 289 E C 1.435 178.065 176.600 0.050 0.000 0.995 289 E CA 0.884 57.307 56.400 0.038 0.000 0.836 289 E CB -0.047 29.674 29.700 0.036 0.000 0.763 289 E HN 0.353 nan 8.360 nan 0.000 0.491 290 E N -0.232 120.007 120.200 0.065 0.000 2.190 290 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 290 E C 2.155 178.786 176.600 0.052 0.000 0.978 290 E CA -0.004 56.440 56.400 0.073 0.000 0.839 290 E CB 0.154 29.914 29.700 0.100 0.000 0.787 290 E HN 0.108 nan 8.360 nan 0.000 0.473 291 R N 1.076 121.604 120.500 0.047 0.000 2.092 291 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 291 R C 2.024 178.340 176.300 0.027 0.000 1.119 291 R CA 0.781 56.903 56.100 0.036 0.000 0.970 291 R CB -0.173 30.148 30.300 0.035 0.000 0.864 291 R HN 0.139 nan 8.270 nan 0.000 0.440 292 E N 1.077 121.293 120.200 0.026 0.000 2.047 292 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 292 E C 1.913 178.524 176.600 0.017 0.000 0.987 292 E CA 1.381 57.792 56.400 0.020 0.000 0.799 292 E CB -0.132 29.579 29.700 0.018 0.000 0.752 292 E HN 0.239 nan 8.360 nan 0.000 0.449 293 A N 0.936 123.769 122.820 0.021 0.000 1.933 293 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 293 A C 2.259 179.849 177.584 0.012 0.000 1.175 293 A CA 1.442 53.489 52.037 0.017 0.000 0.628 293 A CB -0.613 18.402 19.000 0.025 0.000 0.814 293 A HN 0.298 nan 8.150 nan 0.000 0.444 294 L N -0.357 120.875 121.223 0.014 0.000 2.027 294 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 294 L C 2.446 179.316 176.870 -0.001 0.000 1.074 294 L CA 2.139 56.982 54.840 0.005 0.000 0.745 294 L CB -0.590 41.474 42.059 0.008 0.000 0.898 294 L HN 0.389 nan 8.230 nan 0.000 0.433 295 R N -0.207 120.296 120.500 0.005 0.000 2.081 295 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 295 R C 2.417 178.718 176.300 0.002 0.000 1.131 295 R CA 1.246 57.348 56.100 0.003 0.000 0.960 295 R CB -0.560 29.745 30.300 0.009 0.000 0.856 295 R HN 0.320 nan 8.270 nan 0.000 0.436 296 R N 0.347 120.850 120.500 0.005 0.000 2.096 296 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 296 R C 2.161 178.461 176.300 0.000 0.000 1.127 296 R CA 1.648 57.751 56.100 0.005 0.000 0.968 296 R CB -0.536 29.767 30.300 0.005 0.000 0.861 296 R HN 0.223 nan 8.270 nan 0.000 0.440 297 S N -0.246 115.451 115.700 -0.004 0.000 2.387 297 S HA -0.019 4.451 4.470 -0.000 0.000 0.226 297 S C 1.892 176.482 174.600 -0.016 0.000 1.026 297 S CA 1.043 59.237 58.200 -0.009 0.000 0.972 297 S CB -0.074 63.120 63.200 -0.010 0.000 0.814 297 S HN 0.463 nan 8.310 nan 0.000 0.477 298 A N 1.069 123.877 122.820 -0.020 0.000 2.015 298 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 298 A C 1.950 179.518 177.584 -0.027 0.000 1.163 298 A CA 1.260 53.276 52.037 -0.035 0.000 0.646 298 A CB -0.461 18.513 19.000 -0.043 0.000 0.806 298 A HN 0.695 nan 8.150 nan 0.000 0.448 299 E N -0.154 120.042 120.200 -0.007 0.000 2.072 299 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 299 E C 1.835 178.443 176.600 0.014 0.000 0.982 299 E CA 1.018 57.424 56.400 0.011 0.000 0.803 299 E CB -0.290 29.423 29.700 0.022 0.000 0.755 299 E HN 0.684 nan 8.360 nan 0.000 0.453 300 I N 1.350 121.924 120.570 0.007 0.000 2.163 300 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 300 I C 2.427 178.546 176.117 0.003 0.000 1.085 300 I CA 1.217 62.522 61.300 0.008 0.000 1.347 300 I CB -0.252 37.749 38.000 0.001 0.000 1.044 300 I HN 0.108 nan 8.210 nan 0.000 0.408 301 L N 0.224 121.439 121.223 -0.014 0.000 2.093 301 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 301 L C 2.561 179.402 176.870 -0.048 0.000 1.085 301 L CA 0.992 55.816 54.840 -0.027 0.000 0.755 301 L CB -0.529 41.508 42.059 -0.037 0.000 0.904 301 L HN 0.164 nan 8.230 nan 0.000 0.435 302 K N 0.641 121.003 120.400 -0.063 0.000 2.057 302 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 302 K C 1.973 178.510 176.600 -0.105 0.000 1.049 302 K CA 1.415 57.618 56.287 -0.139 0.000 0.931 302 K CB -0.091 32.355 32.500 -0.091 0.000 0.714 302 K HN 0.041 nan 8.250 nan 0.000 0.440 303 E N 0.239 120.466 120.200 0.045 0.000 2.031 303 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 303 E C 1.760 178.428 176.600 0.114 0.000 0.994 303 E CA 1.747 58.235 56.400 0.146 0.000 0.800 303 E CB -0.654 29.113 29.700 0.112 0.000 0.752 303 E HN 0.296 nan 8.360 nan 0.000 0.447 304 A N 0.880 123.734 122.820 0.056 0.000 1.948 304 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 304 A C 2.440 180.066 177.584 0.071 0.000 1.177 304 A CA 2.555 54.625 52.037 0.055 0.000 0.636 304 A CB -1.105 17.910 19.000 0.026 0.000 0.815 304 A HN 0.386 nan 8.150 nan 0.000 0.449 305 A N -1.019 121.814 122.820 0.021 0.000 1.858 305 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 305 A C 1.941 179.566 177.584 0.069 0.000 1.190 305 A CA 1.679 53.731 52.037 0.024 0.000 0.617 305 A CB -0.780 18.151 19.000 -0.114 0.000 0.827 305 A HN 0.440 nan 8.150 nan 0.000 0.443 306 F N 0.219 120.218 119.950 0.081 0.000 2.102 306 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 306 F C 2.873 178.689 175.800 0.027 0.000 1.105 306 F CA 0.696 58.723 58.000 0.045 0.000 1.239 306 F CB -1.017 38.002 39.000 0.032 0.000 0.991 306 F HN 0.258 nan 8.300 nan 0.000 0.474 307 A N -0.720 122.243 122.820 0.239 0.000 1.978 307 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 307 A C 2.099 179.749 177.584 0.109 0.000 1.170 307 A CA 1.605 53.725 52.037 0.137 0.000 0.636 307 A CB -0.868 18.196 19.000 0.106 0.000 0.810 307 A HN 0.337 nan 8.150 nan 0.000 0.448 308 L N -2.132 119.174 121.223 0.138 0.000 2.354 308 L HA 0.328 4.668 4.340 -0.000 0.000 0.212 308 L C 1.456 178.352 176.870 0.043 0.000 1.091 308 L CA 1.539 56.475 54.840 0.161 0.000 0.828 308 L CB -0.018 42.208 42.059 0.278 0.000 0.973 308 L HN 0.730 nan 8.230 nan 0.000 0.461 309 G N -1.731 107.050 108.800 -0.031 0.000 2.226 309 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.176 309 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.176 309 G C -0.106 174.357 174.900 -0.729 0.000 1.042 309 G CA -0.014 44.890 45.100 -0.327 0.000 0.732 309 G HN 0.137 nan 8.290 nan 0.000 0.494 310 F N 0.000 119.984 119.950 0.057 0.000 2.286 310 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 310 F CA 0.000 58.025 58.000 0.042 0.000 1.383 310 F CB 0.000 39.022 39.000 0.037 0.000 1.145 310 F HN 0.000 nan 8.300 nan 0.000 0.574