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 3msu_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAMEVMLMSK YATLKYADKN IEIELPVYSP SLGNDCIDVS SLVKHGIFTY DATA SEQUENCE DPGFMSTAAC ESKITYIDGG KGVLLHRGYP IEEWTQKSNY RTLCYALIYG DATA SEQUENCE ELPTDEQVKS FRQEIINKMP VCEHVKAAIA AMPQHTHPMS SLIAGVNVLA DATA SEQUENCE AEHIHNGQKE SQDEVAKNIV AKIATIAAMA YRHNHGKKFL EPKMEYGYAE DATA SEQUENCE NFLYMMFADD ESYKPDELHI KAMDTIFMLH ADHEQNASTS TVRLSGSTGN DATA SEQUENCE SPYAAIIAGI TALWGPAHGG ANEAVLKMLS EIGSTENIDK YIAKAKDKXX DATA SEQUENCE XXXLMGFGHR VYKNTDPRAT AMKKNCEEIL AKLGHSDNPL LTVAKKLEEI DATA SEQUENCE ALXXXXXXER KLFSNVDFYS GIILKAMGIP EDMFTAIFAL ARTSGWISQW DATA SEQUENCE IEMVNDPAQK IGRPRQLYTG ATNRNF 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 -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.506 175.510 -0.007 0.000 1.280 -1 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 -1 N CB 0.000 38.484 38.487 -0.006 0.000 1.341 0 A N 0.493 123.311 122.820 -0.003 0.000 2.356 0 A HA 0.843 5.167 4.320 0.007 0.000 0.323 0 A C -1.183 176.403 177.584 0.005 0.000 1.119 0 A CA -0.439 51.599 52.037 0.003 0.000 0.790 0 A CB 1.187 20.189 19.000 0.003 0.000 1.273 0 A HN 0.634 nan 8.150 nan 0.000 0.452 1 M N 1.543 121.148 119.600 0.008 0.000 2.324 1 M HA 0.513 4.997 4.480 0.007 0.000 0.288 1 M C -1.451 174.852 176.300 0.004 0.000 1.097 1 M CA -0.147 55.155 55.300 0.004 0.000 0.928 1 M CB 1.827 34.429 32.600 0.003 0.000 1.648 1 M HN 0.831 nan 8.290 nan 0.000 0.460 2 E N 4.082 124.281 120.200 -0.001 0.000 2.158 2 E HA 0.588 4.943 4.350 0.007 0.000 0.271 2 E C -1.454 175.136 176.600 -0.017 0.000 0.911 2 E CA -0.862 55.534 56.400 -0.006 0.000 0.767 2 E CB 1.811 31.510 29.700 -0.001 0.000 1.120 2 E HN 0.614 nan 8.360 nan 0.000 0.405 3 V N 2.695 122.589 119.914 -0.032 0.000 2.459 3 V HA 0.590 4.715 4.120 0.007 0.000 0.295 3 V C -0.442 175.626 176.094 -0.043 0.000 1.029 3 V CA -0.907 61.369 62.300 -0.040 0.000 0.874 3 V CB 1.579 33.368 31.823 -0.056 0.000 0.985 3 V HN 0.734 nan 8.190 nan 0.000 0.438 4 M N 6.327 125.908 119.600 -0.032 0.000 2.167 4 M HA 0.694 5.178 4.480 0.007 0.000 0.333 4 M C -1.784 174.499 176.300 -0.027 0.000 1.030 4 M CA -0.349 54.935 55.300 -0.026 0.000 0.963 4 M CB 0.937 33.528 32.600 -0.015 0.000 1.589 4 M HN 0.911 nan 8.290 nan 0.000 0.431 5 L N 2.987 124.192 121.223 -0.029 0.000 2.397 5 L HA 0.556 4.900 4.340 0.007 0.000 0.251 5 L C -0.164 176.698 176.870 -0.012 0.000 1.064 5 L CA -1.118 53.707 54.840 -0.026 0.000 0.859 5 L CB 2.303 44.337 42.059 -0.042 0.000 1.468 5 L HN 0.677 nan 8.230 nan 0.000 0.411 6 M N 0.757 120.351 119.600 -0.009 0.000 2.246 6 M HA -0.009 4.476 4.480 0.007 0.000 0.327 6 M C 0.559 176.869 176.300 0.017 0.000 1.090 6 M CA 0.573 55.877 55.300 0.007 0.000 1.087 6 M CB 0.227 32.827 32.600 -0.000 0.000 1.587 6 M HN 0.537 nan 8.290 nan 0.000 0.444 7 S N 2.112 117.848 115.700 0.060 0.000 2.549 7 S HA 0.124 4.598 4.470 0.007 0.000 0.283 7 S C -0.378 174.264 174.600 0.069 0.000 1.320 7 S CA -0.202 58.071 58.200 0.121 0.000 1.058 7 S CB 0.303 63.647 63.200 0.241 0.000 0.882 7 S HN 0.604 nan 8.310 nan 0.000 0.498 8 K N 4.494 124.914 120.400 0.034 0.000 2.579 8 K HA 0.408 4.732 4.320 0.007 0.000 0.250 8 K C -1.660 174.922 176.600 -0.031 0.000 0.952 8 K CA -0.697 55.523 56.287 -0.111 0.000 0.857 8 K CB 0.727 33.176 32.500 -0.086 0.000 1.123 8 K HN 0.775 nan 8.250 nan 0.000 0.433 9 Y N 0.271 120.580 120.300 0.014 0.000 2.581 9 Y HA 0.783 5.337 4.550 0.007 0.000 0.345 9 Y C -1.121 174.794 175.900 0.025 0.000 1.036 9 Y CA -1.413 56.702 58.100 0.024 0.000 1.042 9 Y CB 1.291 39.762 38.460 0.020 0.000 1.289 9 Y HN 0.394 nan 8.280 nan 0.000 0.471 10 A N 1.192 124.171 122.820 0.264 0.000 2.312 10 A HA 0.724 5.048 4.320 0.007 0.000 0.328 10 A C -0.251 177.488 177.584 0.259 0.000 1.158 10 A CA -0.338 51.823 52.037 0.207 0.000 0.821 10 A CB 0.559 19.627 19.000 0.113 0.000 1.170 10 A HN 0.961 nan 8.150 nan 0.000 0.490 11 T N -0.285 114.392 114.554 0.207 0.000 2.829 11 T HA 0.582 4.936 4.350 0.007 0.000 0.282 11 T C -0.656 174.083 174.700 0.066 0.000 0.990 11 T CA -0.506 61.662 62.100 0.113 0.000 1.028 11 T CB 0.983 69.912 68.868 0.102 0.000 0.951 11 T HN 0.749 nan 8.240 nan 0.000 0.460 12 L N 2.196 123.437 121.223 0.030 0.000 2.325 12 L HA 0.666 5.011 4.340 0.007 0.000 0.281 12 L C -0.418 176.466 176.870 0.023 0.000 1.004 12 L CA -0.574 54.282 54.840 0.025 0.000 0.823 12 L CB 1.507 43.574 42.059 0.012 0.000 1.236 12 L HN 0.877 nan 8.230 nan 0.000 0.415 13 K N 4.249 124.679 120.400 0.050 0.000 2.376 13 K HA 0.408 4.732 4.320 0.007 0.000 0.257 13 K C -2.093 174.599 176.600 0.153 0.000 0.939 13 K CA -0.680 55.648 56.287 0.068 0.000 0.809 13 K CB 1.269 33.799 32.500 0.050 0.000 1.121 13 K HN 0.580 nan 8.250 nan 0.000 0.425 14 Y N 3.947 124.236 120.300 -0.018 0.000 2.445 14 Y HA 0.378 4.932 4.550 0.007 0.000 0.332 14 Y C 0.084 175.977 175.900 -0.012 0.000 1.037 14 Y CA -1.026 57.067 58.100 -0.012 0.000 1.296 14 Y CB 0.944 39.396 38.460 -0.013 0.000 1.099 14 Y HN 0.722 nan 8.280 nan 0.000 0.496 15 A N 2.895 125.681 122.820 -0.057 0.000 1.933 15 A HA -0.123 4.201 4.320 0.007 0.000 0.218 15 A C 1.676 179.064 177.584 -0.325 0.000 1.175 15 A CA 2.018 53.966 52.037 -0.149 0.000 0.628 15 A CB -0.165 18.802 19.000 -0.055 0.000 0.814 15 A HN 0.704 nan 8.150 nan 0.000 0.444 16 D N -0.450 119.603 120.400 -0.578 0.000 2.309 16 D HA -0.047 4.597 4.640 0.007 0.000 0.212 16 D C 1.108 177.088 176.300 -0.534 0.000 0.968 16 D CA 0.884 54.577 54.000 -0.513 0.000 0.882 16 D CB 0.090 40.638 40.800 -0.421 0.000 0.918 16 D HN 0.229 nan 8.370 nan 0.000 0.503 17 K N 0.218 120.185 120.400 -0.722 0.000 2.438 17 K HA 0.120 4.444 4.320 0.007 0.000 0.205 17 K C -0.283 176.203 176.600 -0.189 0.000 1.033 17 K CA -0.354 55.720 56.287 -0.355 0.000 1.089 17 K CB 0.276 32.629 32.500 -0.245 0.000 0.857 17 K HN -0.055 nan 8.250 nan 0.000 0.522 18 N N 0.955 119.541 118.700 -0.190 0.000 2.727 18 N HA -0.204 4.541 4.740 0.007 0.000 0.249 18 N C -0.827 174.655 175.510 -0.047 0.000 1.048 18 N CA 0.538 53.531 53.050 -0.094 0.000 0.714 18 N CB -1.561 36.889 38.487 -0.061 0.000 0.959 18 N HN 0.315 nan 8.380 nan 0.000 0.544 19 I N 0.282 120.823 120.570 -0.048 0.000 2.359 19 I HA 0.269 4.444 4.170 0.007 0.000 0.294 19 I C 0.344 176.450 176.117 -0.018 0.000 0.987 19 I CA -0.339 60.954 61.300 -0.012 0.000 1.225 19 I CB 1.602 39.623 38.000 0.035 0.000 1.366 19 I HN 0.139 nan 8.210 nan 0.000 0.466 20 E N 8.674 128.846 120.200 -0.047 0.000 2.448 20 E HA 0.430 4.784 4.350 0.007 0.000 0.288 20 E C -1.516 175.034 176.600 -0.083 0.000 0.936 20 E CA -0.421 55.952 56.400 -0.045 0.000 0.809 20 E CB 1.195 30.879 29.700 -0.027 0.000 1.408 20 E HN 0.611 nan 8.360 nan 0.000 0.393 21 I N 0.044 120.549 120.570 -0.108 0.000 2.730 21 I HA 0.584 4.759 4.170 0.007 0.000 0.298 21 I C -0.685 175.373 176.117 -0.099 0.000 1.089 21 I CA -1.060 60.156 61.300 -0.140 0.000 1.041 21 I CB 2.226 40.058 38.000 -0.281 0.000 1.235 21 I HN 0.254 nan 8.210 nan 0.000 0.423 22 E N 5.458 125.587 120.200 -0.117 0.000 2.146 22 E HA 0.533 4.888 4.350 0.007 0.000 0.282 22 E C -1.217 175.386 176.600 0.004 0.000 0.989 22 E CA -0.624 55.706 56.400 -0.117 0.000 0.799 22 E CB 2.152 31.624 29.700 -0.379 0.000 1.088 22 E HN 0.460 nan 8.360 nan 0.000 0.397 23 L N 5.322 126.598 121.223 0.088 0.000 2.307 23 L HA 0.416 4.760 4.340 0.007 0.000 0.284 23 L C -2.287 174.684 176.870 0.169 0.000 1.023 23 L CA -2.513 52.393 54.840 0.110 0.000 0.810 23 L CB 1.082 43.197 42.059 0.094 0.000 1.231 23 L HN 0.237 nan 8.230 nan 0.000 0.423 24 P HA 0.060 nan 4.420 nan 0.000 0.268 24 P C -0.816 176.611 177.300 0.212 0.000 1.205 24 P CA -0.097 63.109 63.100 0.178 0.000 0.771 24 P CB 0.847 32.651 31.700 0.173 0.000 0.858 25 V N 4.513 124.526 119.914 0.164 0.000 2.459 25 V HA 0.294 4.418 4.120 0.007 0.000 0.295 25 V C -0.500 175.705 176.094 0.185 0.000 1.029 25 V CA -0.513 61.898 62.300 0.187 0.000 0.874 25 V CB 0.859 32.735 31.823 0.089 0.000 0.985 25 V HN 0.359 nan 8.190 nan 0.000 0.438 26 Y N 1.683 121.992 120.300 0.015 0.000 2.323 26 Y HA 0.494 5.049 4.550 0.008 0.000 0.331 26 Y C 0.786 176.687 175.900 0.001 0.000 1.092 26 Y CA -0.718 57.387 58.100 0.008 0.000 1.150 26 Y CB 1.816 40.282 38.460 0.010 0.000 1.200 26 Y HN 0.535 nan 8.280 nan 0.000 0.472 27 S N 5.708 121.469 115.700 0.101 0.000 2.532 27 S HA 0.322 4.797 4.470 0.007 0.000 0.256 27 S C -2.584 172.038 174.600 0.037 0.000 1.298 27 S CA -1.196 57.036 58.200 0.053 0.000 1.166 27 S CB 0.367 63.573 63.200 0.011 0.000 1.022 27 S HN 0.413 nan 8.310 nan 0.000 0.480 28 P HA 0.305 nan 4.420 nan 0.000 0.274 28 P C 0.583 177.869 177.300 -0.024 0.000 1.237 28 P CA -0.336 62.773 63.100 0.015 0.000 0.793 28 P CB 0.917 32.630 31.700 0.023 0.000 0.977 29 S N 0.189 115.855 115.700 -0.055 0.000 2.370 29 S HA -0.057 4.417 4.470 0.007 0.000 0.226 29 S C 1.019 175.547 174.600 -0.121 0.000 1.033 29 S CA 0.999 59.150 58.200 -0.082 0.000 1.011 29 S CB -0.427 62.715 63.200 -0.097 0.000 0.852 29 S HN 0.382 nan 8.310 nan 0.000 0.457 30 L N 0.618 121.720 121.223 -0.201 0.000 2.333 30 L HA 0.652 4.996 4.340 0.007 0.000 0.280 30 L C 0.519 177.306 176.870 -0.139 0.000 1.004 30 L CA -0.393 54.238 54.840 -0.348 0.000 0.820 30 L CB 1.466 42.954 42.059 -0.951 0.000 1.247 30 L HN 0.414 nan 8.230 nan 0.000 0.416 31 G N 2.739 111.585 108.800 0.075 0.000 2.631 31 G HA2 -0.204 3.761 3.960 0.007 0.000 0.504 31 G HA3 -0.204 3.761 3.960 0.007 0.000 0.504 31 G C -0.960 174.004 174.900 0.106 0.000 1.306 31 G CA -0.959 44.273 45.100 0.220 0.000 0.897 31 G HN 0.540 nan 8.290 nan 0.000 0.520 32 N N 1.300 120.057 118.700 0.095 0.000 2.518 32 N HA 0.393 5.138 4.740 0.007 0.000 0.266 32 N C -0.010 175.534 175.510 0.056 0.000 1.196 32 N CA -0.261 52.825 53.050 0.061 0.000 0.947 32 N CB 0.505 39.021 38.487 0.048 0.000 1.098 32 N HN 0.537 nan 8.380 nan 0.000 0.450 33 D N 0.266 120.696 120.400 0.049 0.000 2.423 33 D HA 0.067 4.711 4.640 0.007 0.000 0.238 33 D C 0.200 176.535 176.300 0.058 0.000 1.142 33 D CA 0.069 54.105 54.000 0.060 0.000 0.884 33 D CB 0.325 41.155 40.800 0.050 0.000 1.199 33 D HN 0.515 nan 8.370 nan 0.000 0.438 34 C N 1.358 120.703 119.300 0.075 0.000 2.455 34 C HA 0.733 5.197 4.460 0.007 0.000 0.320 34 C C -0.014 175.014 174.990 0.064 0.000 1.226 34 C CA -1.062 57.977 59.018 0.034 0.000 1.569 34 C CB -0.223 27.493 27.740 -0.040 0.000 2.200 34 C HN 0.479 nan 8.230 nan 0.000 0.491 35 I N 3.246 123.844 120.570 0.047 0.000 2.315 35 I HA 0.202 4.376 4.170 0.007 0.000 0.291 35 I C 0.124 176.272 176.117 0.050 0.000 1.006 35 I CA 0.312 61.658 61.300 0.076 0.000 1.265 35 I CB 0.776 38.817 38.000 0.067 0.000 1.387 35 I HN 0.703 nan 8.210 nan 0.000 0.475 36 D N 6.751 127.205 120.400 0.091 0.000 2.342 36 D HA 0.044 4.688 4.640 0.007 0.000 0.260 36 D C 0.782 177.123 176.300 0.068 0.000 1.278 36 D CA -0.011 54.023 54.000 0.057 0.000 0.910 36 D CB 1.307 42.201 40.800 0.158 0.000 1.079 36 D HN 0.386 nan 8.370 nan 0.000 0.496 37 V N 1.678 121.620 119.914 0.046 0.000 3.542 37 V HA 0.034 4.159 4.120 0.007 0.000 0.296 37 V C 1.874 178.018 176.094 0.084 0.000 1.364 37 V CA 0.538 62.879 62.300 0.069 0.000 1.118 37 V CB -0.490 31.375 31.823 0.070 0.000 0.972 37 V HN 0.475 nan 8.190 nan 0.000 0.430 38 S N 2.219 117.960 115.700 0.068 0.000 2.402 38 S HA -0.244 4.230 4.470 0.007 0.000 0.233 38 S C 1.992 176.657 174.600 0.107 0.000 1.030 38 S CA 1.921 60.164 58.200 0.072 0.000 1.003 38 S CB -1.009 62.222 63.200 0.051 0.000 0.813 38 S HN 1.086 nan 8.310 nan 0.000 0.477 39 S N 1.541 117.315 115.700 0.123 0.000 2.561 39 S HA 0.198 4.672 4.470 0.007 0.000 0.225 39 S C 1.702 176.447 174.600 0.241 0.000 0.977 39 S CA 0.284 58.583 58.200 0.166 0.000 0.926 39 S CB -0.777 62.530 63.200 0.179 0.000 0.769 39 S HN 0.538 nan 8.310 nan 0.000 0.533 40 L N 0.879 122.226 121.223 0.206 0.000 2.083 40 L HA -0.050 4.295 4.340 0.007 0.000 0.209 40 L C 2.766 179.772 176.870 0.227 0.000 1.083 40 L CA 1.364 56.336 54.840 0.219 0.000 0.752 40 L CB -0.750 41.422 42.059 0.188 0.000 0.899 40 L HN 0.396 nan 8.230 nan 0.000 0.433 41 V N 0.192 120.253 119.914 0.244 0.000 2.469 41 V HA -0.302 3.822 4.120 0.007 0.000 0.251 41 V C 2.354 178.507 176.094 0.098 0.000 1.064 41 V CA 1.896 64.332 62.300 0.227 0.000 1.066 41 V CB -0.282 31.747 31.823 0.343 0.000 0.667 41 V HN 0.434 nan 8.190 nan 0.000 0.461 42 K N -0.913 119.536 120.400 0.081 0.000 2.280 42 K HA -0.077 4.247 4.320 0.007 0.000 0.202 42 K C 1.697 178.179 176.600 -0.197 0.000 1.047 42 K CA 1.358 57.610 56.287 -0.058 0.000 0.942 42 K CB -0.184 32.257 32.500 -0.098 0.000 0.739 42 K HN 0.657 nan 8.250 nan 0.000 0.457 43 H N -1.125 117.951 119.070 0.010 0.000 2.549 43 H HA 0.154 4.714 4.556 0.007 0.000 0.279 43 H C 0.878 176.186 175.328 -0.034 0.000 1.018 43 H CA 0.606 56.653 56.048 -0.003 0.000 1.175 43 H CB 0.992 30.765 29.762 0.018 0.000 1.485 43 H HN 0.390 nan 8.280 nan 0.000 0.543 44 G N 1.943 110.742 108.800 -0.002 0.000 2.147 44 G HA2 -0.256 3.708 3.960 0.007 0.000 0.244 44 G HA3 -0.256 3.708 3.960 0.007 0.000 0.244 44 G C 0.300 175.083 174.900 -0.194 0.000 1.005 44 G CA 0.604 45.639 45.100 -0.110 0.000 0.713 44 G HN 0.542 nan 8.290 nan 0.000 0.515 45 I N -3.957 116.509 120.570 -0.175 0.000 3.174 45 I HA 0.957 5.132 4.170 0.007 0.000 0.313 45 I C -0.667 175.333 176.117 -0.195 0.000 1.155 45 I CA -1.834 59.343 61.300 -0.206 0.000 0.977 45 I CB 1.725 39.736 38.000 0.019 0.000 1.248 45 I HN -0.167 nan 8.210 nan 0.000 0.453 46 F N 0.166 120.158 119.950 0.070 0.000 2.631 46 F HA 0.677 5.208 4.527 0.008 0.000 0.328 46 F C 0.584 176.422 175.800 0.064 0.000 1.067 46 F CA -0.894 57.150 58.000 0.073 0.000 0.969 46 F CB 2.002 41.054 39.000 0.086 0.000 1.332 46 F HN 0.705 nan 8.300 nan 0.000 0.490 47 T N -1.751 112.985 114.554 0.303 0.000 2.847 47 T HA 0.492 4.846 4.350 0.007 0.000 0.279 47 T C -1.394 173.454 174.700 0.248 0.000 0.984 47 T CA -0.327 61.893 62.100 0.199 0.000 0.988 47 T CB 1.282 70.227 68.868 0.128 0.000 1.040 47 T HN 0.474 nan 8.240 nan 0.000 0.528 48 Y N 0.706 121.033 120.300 0.046 0.000 2.338 48 Y HA 0.521 5.075 4.550 0.007 0.000 0.333 48 Y C -1.162 174.728 175.900 -0.016 0.000 0.968 48 Y CA -1.359 56.749 58.100 0.013 0.000 1.123 48 Y CB 1.738 40.203 38.460 0.007 0.000 1.165 48 Y HN 0.864 nan 8.280 nan 0.000 0.452 49 D N 8.191 128.321 120.400 -0.449 0.000 2.934 49 D HA 0.250 4.894 4.640 0.007 0.000 0.249 49 D C -2.996 172.955 176.300 -0.581 0.000 1.293 49 D CA -1.427 52.335 54.000 -0.397 0.000 0.812 49 D CB 0.958 41.680 40.800 -0.129 0.000 1.439 49 D HN 0.199 nan 8.370 nan 0.000 0.555 50 P HA 0.266 nan 4.420 nan 0.000 0.263 50 P C 1.101 178.109 177.300 -0.487 0.000 1.195 50 P CA 0.729 63.449 63.100 -0.633 0.000 0.762 50 P CB 0.917 32.308 31.700 -0.516 0.000 0.799 51 G N 3.115 111.560 108.800 -0.591 0.000 2.199 51 G HA2 -0.332 3.632 3.960 0.007 0.000 0.254 51 G HA3 -0.332 3.632 3.960 0.007 0.000 0.254 51 G C 0.442 175.222 174.900 -0.200 0.000 0.982 51 G CA -0.027 44.861 45.100 -0.354 0.000 0.632 51 G HN 0.360 nan 8.290 nan 0.000 0.529 52 F N -1.654 118.232 119.950 -0.107 0.000 3.034 52 F HA -0.251 4.280 4.527 0.007 0.000 0.286 52 F C 1.971 177.731 175.800 -0.068 0.000 0.804 52 F CA 1.405 59.353 58.000 -0.087 0.000 1.161 52 F CB -2.157 36.799 39.000 -0.073 0.000 1.317 52 F HN 0.371 nan 8.300 nan 0.000 0.453 53 M N -1.554 118.073 119.600 0.044 0.000 2.557 53 M HA -0.061 4.424 4.480 0.007 0.000 0.259 53 M C 1.392 177.707 176.300 0.026 0.000 1.086 53 M CA 1.500 56.818 55.300 0.029 0.000 1.096 53 M CB -0.123 32.473 32.600 -0.007 0.000 1.424 53 M HN 0.185 nan 8.290 nan 0.000 0.488 54 S N -0.722 114.996 115.700 0.030 0.000 2.730 54 S HA 0.142 4.617 4.470 0.007 0.000 0.244 54 S C 0.165 174.787 174.600 0.037 0.000 1.022 54 S CA -0.222 57.993 58.200 0.026 0.000 1.014 54 S CB 0.585 63.794 63.200 0.015 0.000 0.963 54 S HN 0.205 nan 8.310 nan 0.000 0.540 55 T N 2.935 117.527 114.554 0.064 0.000 2.772 55 T HA 0.571 4.926 4.350 0.007 0.000 0.288 55 T C -0.140 174.560 174.700 -0.001 0.000 0.994 55 T CA -0.357 61.774 62.100 0.051 0.000 0.951 55 T CB 1.360 70.305 68.868 0.129 0.000 0.933 55 T HN 0.225 nan 8.240 nan 0.000 0.447 56 A N 2.467 125.268 122.820 -0.032 0.000 2.347 56 A HA 0.637 4.962 4.320 0.007 0.000 0.287 56 A C 1.239 178.762 177.584 -0.101 0.000 1.199 56 A CA -0.513 51.486 52.037 -0.062 0.000 0.851 56 A CB 0.061 19.023 19.000 -0.065 0.000 1.118 56 A HN 0.985 nan 8.150 nan 0.000 0.525 57 A N 1.839 124.581 122.820 -0.129 0.000 2.308 57 A HA 0.441 4.765 4.320 0.007 0.000 0.217 57 A C 0.777 178.283 177.584 -0.130 0.000 1.216 57 A CA 0.843 52.782 52.037 -0.164 0.000 0.864 57 A CB -0.851 17.993 19.000 -0.260 0.000 0.902 57 A HN 1.850 nan 8.150 nan 0.000 0.499 58 C N -2.545 116.693 119.300 -0.103 0.000 3.307 58 C HA 0.668 5.132 4.460 0.007 0.000 0.333 58 C C -0.645 174.305 174.990 -0.065 0.000 1.291 58 C CA -1.033 57.935 59.018 -0.084 0.000 1.273 58 C CB 0.736 28.434 27.740 -0.069 0.000 1.580 58 C HN 0.451 nan 8.230 nan 0.000 0.481 59 E N 1.251 121.419 120.200 -0.053 0.000 2.331 59 E HA 0.583 4.938 4.350 0.007 0.000 0.272 59 E C -0.445 176.153 176.600 -0.004 0.000 1.036 59 E CA 0.202 56.589 56.400 -0.022 0.000 0.864 59 E CB 1.142 30.839 29.700 -0.005 0.000 1.035 59 E HN 0.831 nan 8.360 nan 0.000 0.408 60 S N 2.540 118.251 115.700 0.019 0.000 2.564 60 S HA 0.374 4.848 4.470 0.007 0.000 0.274 60 S C -0.571 174.058 174.600 0.049 0.000 1.124 60 S CA -0.704 57.515 58.200 0.032 0.000 0.869 60 S CB 1.206 64.432 63.200 0.043 0.000 1.105 60 S HN 0.567 nan 8.310 nan 0.000 0.472 61 K N 2.580 123.011 120.400 0.051 0.000 2.447 61 K HA 0.396 4.721 4.320 0.007 0.000 0.205 61 K C 0.811 177.465 176.600 0.089 0.000 1.059 61 K CA 0.060 56.383 56.287 0.060 0.000 1.065 61 K CB 0.325 32.852 32.500 0.045 0.000 0.885 61 K HN 0.493 nan 8.250 nan 0.000 0.545 62 I N 0.283 120.913 120.570 0.100 0.000 2.368 62 I HA -0.041 4.134 4.170 0.007 0.000 0.238 62 I C 0.538 176.775 176.117 0.199 0.000 1.076 62 I CA 0.914 62.291 61.300 0.128 0.000 1.397 62 I CB 0.387 38.446 38.000 0.098 0.000 1.141 62 I HN -0.096 nan 8.210 nan 0.000 0.430 63 T N 0.038 114.712 114.554 0.200 0.000 2.876 63 T HA 0.405 4.759 4.350 0.007 0.000 0.289 63 T C -1.609 173.208 174.700 0.196 0.000 1.014 63 T CA -0.245 61.999 62.100 0.239 0.000 0.986 63 T CB 1.996 71.034 68.868 0.283 0.000 1.021 63 T HN 0.018 nan 8.240 nan 0.000 0.458 64 Y N 2.919 123.242 120.300 0.038 0.000 2.391 64 Y HA 0.724 5.278 4.550 0.007 0.000 0.341 64 Y C -1.496 174.399 175.900 -0.008 0.000 0.965 64 Y CA -1.395 56.710 58.100 0.009 0.000 1.067 64 Y CB 0.851 39.319 38.460 0.012 0.000 1.199 64 Y HN 0.573 nan 8.280 nan 0.000 0.450 65 I N 5.673 125.687 120.570 -0.926 0.000 2.465 65 I HA 0.292 4.466 4.170 0.007 0.000 0.291 65 I C -1.233 174.319 176.117 -0.942 0.000 1.014 65 I CA -0.770 60.109 61.300 -0.700 0.000 1.093 65 I CB 1.877 39.597 38.000 -0.467 0.000 1.267 65 I HN 0.543 nan 8.210 nan 0.000 0.431 66 D N 4.561 124.669 120.400 -0.486 0.000 2.454 66 D HA 0.282 4.926 4.640 0.007 0.000 0.247 66 D C 0.878 177.127 176.300 -0.085 0.000 1.129 66 D CA -0.389 53.482 54.000 -0.215 0.000 0.877 66 D CB 1.939 42.755 40.800 0.027 0.000 1.082 66 D HN 0.700 nan 8.370 nan 0.000 0.537 67 G N 2.511 111.213 108.800 -0.162 0.000 2.418 67 G HA2 -0.187 3.777 3.960 0.007 0.000 0.217 67 G HA3 -0.187 3.777 3.960 0.007 0.000 0.217 67 G C 1.336 176.252 174.900 0.026 0.000 1.158 67 G CA 0.878 45.877 45.100 -0.168 0.000 0.771 67 G HN 0.555 nan 8.290 nan 0.000 0.545 68 G N 0.570 109.382 108.800 0.021 0.000 2.422 68 G HA2 -0.152 3.812 3.960 0.007 0.000 0.218 68 G HA3 -0.152 3.812 3.960 0.007 0.000 0.218 68 G C 1.681 176.617 174.900 0.059 0.000 1.146 68 G CA 0.855 45.984 45.100 0.049 0.000 0.769 68 G HN 0.484 nan 8.290 nan 0.000 0.547 69 K N 0.121 120.559 120.400 0.063 0.000 2.404 69 K HA 0.247 4.571 4.320 0.007 0.000 0.194 69 K C 1.328 177.967 176.600 0.065 0.000 1.023 69 K CA 0.330 56.653 56.287 0.060 0.000 1.094 69 K CB 0.430 32.969 32.500 0.066 0.000 0.841 69 K HN 0.305 nan 8.250 nan 0.000 0.523 70 G N 1.832 110.700 108.800 0.114 0.000 2.246 70 G HA2 -0.227 3.737 3.960 0.007 0.000 0.273 70 G HA3 -0.227 3.737 3.960 0.007 0.000 0.273 70 G C -0.133 174.815 174.900 0.081 0.000 1.055 70 G CA -0.050 45.116 45.100 0.111 0.000 0.851 70 G HN 0.133 nan 8.290 nan 0.000 0.500 71 V N 0.537 120.538 119.914 0.146 0.000 2.398 71 V HA 0.753 4.878 4.120 0.007 0.000 0.286 71 V C 0.097 176.265 176.094 0.123 0.000 1.026 71 V CA -0.705 61.660 62.300 0.110 0.000 0.868 71 V CB 1.706 33.611 31.823 0.136 0.000 0.982 71 V HN 0.605 nan 8.190 nan 0.000 0.443 72 L N 7.191 128.457 121.223 0.071 0.000 2.441 72 L HA 0.654 4.998 4.340 0.007 0.000 0.270 72 L C -1.179 175.673 176.870 -0.029 0.000 0.973 72 L CA 0.071 54.927 54.840 0.026 0.000 0.842 72 L CB 1.496 43.578 42.059 0.039 0.000 1.239 72 L HN 0.524 nan 8.230 nan 0.000 0.406 73 L N 4.614 125.830 121.223 -0.010 0.000 2.346 73 L HA 0.616 4.961 4.340 0.007 0.000 0.274 73 L C -0.829 176.028 176.870 -0.022 0.000 1.007 73 L CA -0.878 53.999 54.840 0.061 0.000 0.818 73 L CB 1.786 43.949 42.059 0.175 0.000 1.284 73 L HN 0.533 nan 8.230 nan 0.000 0.424 74 H N 4.167 123.479 119.070 0.403 0.000 2.589 74 H HA 0.368 4.928 4.556 0.008 0.000 0.335 74 H C -0.225 175.396 175.328 0.489 0.000 1.019 74 H CA -0.705 55.536 56.048 0.323 0.000 1.213 74 H CB 1.742 31.541 29.762 0.062 0.000 1.472 74 H HN 0.451 nan 8.280 nan 0.000 0.508 75 R N 1.818 122.571 120.500 0.422 0.000 3.627 75 R HA -0.217 4.127 4.340 0.007 0.000 0.281 75 R C 1.123 177.535 176.300 0.186 0.000 1.140 75 R CA 0.920 57.227 56.100 0.345 0.000 0.761 75 R CB -2.324 28.262 30.300 0.477 0.000 1.181 75 R HN 1.205 nan 8.270 nan 0.000 0.472 76 G N -2.074 106.796 108.800 0.117 0.000 2.253 76 G HA2 -0.384 3.581 3.960 0.007 0.000 0.251 76 G HA3 -0.384 3.581 3.960 0.007 0.000 0.251 76 G C -0.090 174.709 174.900 -0.168 0.000 0.998 76 G CA 0.428 45.467 45.100 -0.101 0.000 0.621 76 G HN 0.369 nan 8.290 nan 0.000 0.524 77 Y N 1.850 122.256 120.300 0.175 0.000 2.327 77 Y HA 0.531 5.085 4.550 0.007 0.000 0.336 77 Y C -1.854 174.121 175.900 0.126 0.000 1.035 77 Y CA -2.396 55.713 58.100 0.015 0.000 1.165 77 Y CB 1.206 39.457 38.460 -0.349 0.000 1.181 77 Y HN -0.009 nan 8.280 nan 0.000 0.494 78 P HA 0.014 nan 4.420 nan 0.000 0.272 78 P C 0.803 178.260 177.300 0.261 0.000 1.223 78 P CA -0.216 62.979 63.100 0.158 0.000 0.784 78 P CB 0.971 32.716 31.700 0.075 0.000 0.923 79 I N 2.185 122.888 120.570 0.222 0.000 2.335 79 I HA -0.247 3.927 4.170 0.007 0.000 0.251 79 I C 1.868 178.118 176.117 0.221 0.000 1.129 79 I CA 1.648 63.121 61.300 0.289 0.000 1.402 79 I CB -0.638 37.426 38.000 0.107 0.000 1.069 79 I HN 0.388 nan 8.210 nan 0.000 0.424 80 E N 0.001 120.262 120.200 0.102 0.000 2.150 80 E HA -0.283 4.071 4.350 0.007 0.000 0.193 80 E C 1.895 178.524 176.600 0.048 0.000 0.985 80 E CA 1.265 57.697 56.400 0.054 0.000 0.814 80 E CB -0.586 29.117 29.700 0.005 0.000 0.752 80 E HN 0.601 nan 8.360 nan 0.000 0.466 81 E N 0.703 120.919 120.200 0.027 0.000 2.077 81 E HA -0.145 4.209 4.350 0.007 0.000 0.193 81 E C 1.718 178.272 176.600 -0.076 0.000 0.989 81 E CA 1.558 57.918 56.400 -0.067 0.000 0.800 81 E CB -0.388 29.227 29.700 -0.142 0.000 0.746 81 E HN 0.385 nan 8.360 nan 0.000 0.452 82 W N 0.279 121.609 121.300 0.051 0.000 2.355 82 W HA -0.173 4.492 4.660 0.008 0.000 0.309 82 W C 2.578 179.121 176.519 0.041 0.000 1.206 82 W CA 1.966 59.342 57.345 0.052 0.000 1.284 82 W CB -0.664 28.868 29.460 0.120 0.000 1.145 82 W HN 0.232 nan 8.180 nan 0.000 0.502 83 T N -2.707 112.013 114.554 0.277 0.000 3.043 83 T HA -0.045 4.309 4.350 0.007 0.000 0.263 83 T C 1.461 176.213 174.700 0.086 0.000 1.094 83 T CA 0.999 63.196 62.100 0.162 0.000 1.127 83 T CB -0.150 68.783 68.868 0.107 0.000 0.905 83 T HN 0.233 nan 8.240 nan 0.000 0.490 84 Q N 0.813 120.648 119.800 0.058 0.000 2.134 84 Q HA 0.177 4.521 4.340 0.007 0.000 0.195 84 Q C 1.966 177.971 176.000 0.008 0.000 0.958 84 Q CA 0.824 56.638 55.803 0.018 0.000 0.840 84 Q CB 0.133 28.869 28.738 -0.003 0.000 0.918 84 Q HN 0.476 nan 8.270 nan 0.000 0.467 85 K N -0.682 119.713 120.400 -0.007 0.000 2.353 85 K HA 0.213 4.537 4.320 0.007 0.000 0.195 85 K C 0.523 177.114 176.600 -0.014 0.000 1.031 85 K CA -0.087 56.179 56.287 -0.035 0.000 1.079 85 K CB 1.037 33.481 32.500 -0.093 0.000 0.857 85 K HN -0.107 nan 8.250 nan 0.000 0.535 86 S N 0.196 115.930 115.700 0.057 0.000 3.132 86 S HA 0.412 4.887 4.470 0.007 0.000 0.322 86 S C -1.695 173.013 174.600 0.181 0.000 1.124 86 S CA -0.776 57.499 58.200 0.127 0.000 0.906 86 S CB 0.848 64.184 63.200 0.226 0.000 1.349 86 S HN 0.350 nan 8.310 nan 0.000 0.686 87 N N -0.854 117.988 118.700 0.237 0.000 2.825 87 N HA 0.292 5.037 4.740 0.007 0.000 0.253 87 N C -0.373 175.292 175.510 0.257 0.000 1.426 87 N CA -0.719 52.463 53.050 0.220 0.000 0.851 87 N CB -0.093 38.496 38.487 0.170 0.000 1.470 87 N HN 0.463 nan 8.380 nan 0.000 0.517 88 Y N 0.795 121.173 120.300 0.131 0.000 2.224 88 Y HA -0.105 4.449 4.550 0.007 0.000 0.289 88 Y C 2.306 178.257 175.900 0.085 0.000 1.146 88 Y CA 2.189 60.352 58.100 0.105 0.000 1.182 88 Y CB -0.035 38.542 38.460 0.196 0.000 0.983 88 Y HN 0.690 nan 8.280 nan 0.000 0.524 89 R N -0.747 119.797 120.500 0.075 0.000 2.096 89 R HA -0.129 4.215 4.340 0.007 0.000 0.235 89 R C 1.961 178.330 176.300 0.116 0.000 1.127 89 R CA 2.012 58.160 56.100 0.081 0.000 0.968 89 R CB -1.581 28.831 30.300 0.186 0.000 0.861 89 R HN 0.412 nan 8.270 nan 0.000 0.440 90 T N -0.033 114.585 114.554 0.107 0.000 2.857 90 T HA -0.075 4.280 4.350 0.007 0.000 0.266 90 T C 1.930 176.686 174.700 0.093 0.000 1.048 90 T CA 0.835 63.012 62.100 0.128 0.000 1.139 90 T CB -0.261 68.732 68.868 0.208 0.000 0.874 90 T HN 0.182 nan 8.240 nan 0.000 0.455 91 L N 1.155 122.313 121.223 -0.109 0.000 2.017 91 L HA 0.053 4.398 4.340 0.007 0.000 0.208 91 L C 2.623 179.224 176.870 -0.449 0.000 1.073 91 L CA 1.213 55.667 54.840 -0.643 0.000 0.745 91 L CB -1.139 40.478 42.059 -0.737 0.000 0.894 91 L HN 0.406 nan 8.230 nan 0.000 0.432 92 C N -1.263 117.785 119.300 -0.420 0.000 2.413 92 C HA -0.221 4.243 4.460 0.007 0.000 0.276 92 C C 2.593 177.459 174.990 -0.206 0.000 1.248 92 C CA 1.087 59.905 59.018 -0.334 0.000 1.742 92 C CB -1.204 26.355 27.740 -0.302 0.000 2.017 92 C HN 0.704 nan 8.230 nan 0.000 0.481 93 Y N 1.796 121.855 120.300 -0.401 0.000 2.128 93 Y HA -0.188 4.367 4.550 0.008 0.000 0.284 93 Y C 2.512 178.324 175.900 -0.147 0.000 1.154 93 Y CA 1.864 59.632 58.100 -0.554 0.000 1.149 93 Y CB -0.454 37.584 38.460 -0.703 0.000 0.976 93 Y HN 0.245 nan 8.280 nan 0.000 0.505 94 A N 0.124 123.036 122.820 0.154 0.000 1.902 94 A HA -0.173 4.152 4.320 0.007 0.000 0.217 94 A C 2.229 179.841 177.584 0.046 0.000 1.181 94 A CA 1.833 53.992 52.037 0.203 0.000 0.623 94 A CB -1.108 18.106 19.000 0.357 0.000 0.818 94 A HN 0.570 nan 8.150 nan 0.000 0.443 95 L N -0.860 120.304 121.223 -0.098 0.000 2.046 95 L HA -0.167 4.177 4.340 0.007 0.000 0.208 95 L C 2.484 179.276 176.870 -0.130 0.000 1.077 95 L CA 1.339 56.109 54.840 -0.116 0.000 0.747 95 L CB -0.470 41.472 42.059 -0.194 0.000 0.896 95 L HN 0.369 nan 8.230 nan 0.000 0.432 96 I N -1.857 118.572 120.570 -0.234 0.000 2.233 96 I HA -0.265 3.909 4.170 0.007 0.000 0.243 96 I C 2.005 177.854 176.117 -0.448 0.000 1.093 96 I CA 1.411 62.482 61.300 -0.381 0.000 1.380 96 I CB -0.106 37.544 38.000 -0.583 0.000 1.067 96 I HN 0.128 nan 8.210 nan 0.000 0.413 97 Y N 0.112 120.234 120.300 -0.297 0.000 2.509 97 Y HA 0.257 4.812 4.550 0.008 0.000 0.270 97 Y C 1.910 177.763 175.900 -0.078 0.000 1.103 97 Y CA 0.529 58.478 58.100 -0.253 0.000 1.278 97 Y CB 0.193 38.344 38.460 -0.515 0.000 1.087 97 Y HN 0.251 nan 8.280 nan 0.000 0.542 98 G N 0.408 109.277 108.800 0.114 0.000 2.175 98 G HA2 -0.223 3.741 3.960 0.007 0.000 0.244 98 G HA3 -0.223 3.741 3.960 0.007 0.000 0.244 98 G C -0.041 174.973 174.900 0.190 0.000 0.982 98 G CA 0.242 45.422 45.100 0.133 0.000 0.641 98 G HN 0.447 nan 8.290 nan 0.000 0.527 99 E N -0.521 119.827 120.200 0.247 0.000 2.412 99 E HA 0.662 5.016 4.350 0.007 0.000 0.279 99 E C -0.287 176.491 176.600 0.295 0.000 0.984 99 E CA -1.375 55.177 56.400 0.254 0.000 0.788 99 E CB 1.065 30.874 29.700 0.183 0.000 1.277 99 E HN 0.178 nan 8.360 nan 0.000 0.455 100 L N 1.727 123.071 121.223 0.200 0.000 2.461 100 L HA 0.303 4.647 4.340 0.007 0.000 0.272 100 L C -1.766 175.047 176.870 -0.096 0.000 1.197 100 L CA -1.530 53.349 54.840 0.064 0.000 0.836 100 L CB -0.075 41.955 42.059 -0.048 0.000 1.105 100 L HN 0.457 nan 8.230 nan 0.000 0.477 101 P HA 0.176 nan 4.420 nan 0.000 0.279 101 P C -0.595 176.477 177.300 -0.380 0.000 1.252 101 P CA -0.531 62.114 63.100 -0.759 0.000 0.811 101 P CB 1.113 31.886 31.700 -1.546 0.000 1.035 102 T N -1.778 112.601 114.554 -0.291 0.000 2.788 102 T HA 0.118 4.473 4.350 0.007 0.000 0.287 102 T C 1.002 175.603 174.700 -0.164 0.000 1.007 102 T CA -0.303 61.693 62.100 -0.173 0.000 1.005 102 T CB 0.155 68.956 68.868 -0.112 0.000 1.012 102 T HN 0.245 nan 8.240 nan 0.000 0.530 103 D N 0.327 120.664 120.400 -0.105 0.000 2.106 103 D HA -0.167 4.478 4.640 0.007 0.000 0.191 103 D C 1.788 178.051 176.300 -0.062 0.000 0.997 103 D CA 1.821 55.776 54.000 -0.076 0.000 0.834 103 D CB -0.351 40.420 40.800 -0.050 0.000 0.956 103 D HN 0.907 nan 8.370 nan 0.000 0.448 104 E N 0.495 120.665 120.200 -0.050 0.000 2.118 104 E HA -0.227 4.128 4.350 0.007 0.000 0.195 104 E C 2.055 178.639 176.600 -0.027 0.000 0.992 104 E CA 1.040 57.424 56.400 -0.027 0.000 0.804 104 E CB 0.083 29.772 29.700 -0.017 0.000 0.741 104 E HN 0.320 nan 8.360 nan 0.000 0.458 105 Q N -0.144 119.610 119.800 -0.075 0.000 2.046 105 Q HA -0.124 4.220 4.340 0.007 0.000 0.200 105 Q C 2.320 178.277 176.000 -0.071 0.000 0.975 105 Q CA 1.481 57.231 55.803 -0.088 0.000 0.836 105 Q CB -0.037 28.567 28.738 -0.223 0.000 0.896 105 Q HN 0.237 nan 8.270 nan 0.000 0.428 106 V N 0.877 120.690 119.914 -0.169 0.000 2.548 106 V HA -0.219 3.905 4.120 0.007 0.000 0.249 106 V C 1.803 177.951 176.094 0.090 0.000 1.055 106 V CA 1.599 63.851 62.300 -0.080 0.000 1.065 106 V CB -0.163 31.568 31.823 -0.152 0.000 0.681 106 V HN 0.276 nan 8.190 nan 0.000 0.462 107 K N -0.428 119.999 120.400 0.046 0.000 2.057 107 K HA -0.096 4.228 4.320 0.007 0.000 0.206 107 K C 2.407 179.061 176.600 0.090 0.000 1.050 107 K CA 1.562 57.887 56.287 0.062 0.000 0.935 107 K CB -0.324 32.195 32.500 0.032 0.000 0.715 107 K HN 0.411 nan 8.250 nan 0.000 0.439 108 S N 0.954 116.714 115.700 0.100 0.000 2.359 108 S HA -0.157 4.317 4.470 0.007 0.000 0.224 108 S C 1.635 176.337 174.600 0.171 0.000 1.035 108 S CA 1.252 59.522 58.200 0.117 0.000 1.018 108 S CB -0.321 62.949 63.200 0.117 0.000 0.876 108 S HN 0.285 nan 8.310 nan 0.000 0.448 109 F N 2.736 122.739 119.950 0.089 0.000 2.102 109 F HA -0.145 4.386 4.527 0.007 0.000 0.298 109 F C 2.388 178.243 175.800 0.091 0.000 1.105 109 F CA 1.945 60.029 58.000 0.141 0.000 1.239 109 F CB -0.408 38.757 39.000 0.274 0.000 0.991 109 F HN 0.048 nan 8.300 nan 0.000 0.474 110 R N 0.315 120.901 120.500 0.145 0.000 2.083 110 R HA -0.238 4.106 4.340 0.007 0.000 0.237 110 R C 2.241 178.521 176.300 -0.033 0.000 1.137 110 R CA 2.063 58.175 56.100 0.021 0.000 0.951 110 R CB -0.800 29.566 30.300 0.109 0.000 0.851 110 R HN 0.343 nan 8.270 nan 0.000 0.434 111 Q N 0.508 120.316 119.800 0.014 0.000 2.172 111 Q HA -0.060 4.285 4.340 0.007 0.000 0.200 111 Q C 1.656 177.649 176.000 -0.011 0.000 0.964 111 Q CA 1.807 57.619 55.803 0.016 0.000 0.855 111 Q CB 0.095 28.853 28.738 0.034 0.000 0.918 111 Q HN 0.546 nan 8.270 nan 0.000 0.444 112 E N -0.353 119.827 120.200 -0.033 0.000 2.118 112 E HA -0.176 4.179 4.350 0.007 0.000 0.195 112 E C 1.838 178.377 176.600 -0.101 0.000 0.992 112 E CA 1.238 57.610 56.400 -0.045 0.000 0.804 112 E CB -0.091 29.595 29.700 -0.023 0.000 0.741 112 E HN 0.443 nan 8.360 nan 0.000 0.458 113 I N 0.930 121.371 120.570 -0.216 0.000 2.233 113 I HA -0.237 3.938 4.170 0.007 0.000 0.243 113 I C 2.216 178.316 176.117 -0.029 0.000 1.093 113 I CA 0.498 61.678 61.300 -0.200 0.000 1.380 113 I CB -0.166 37.592 38.000 -0.403 0.000 1.067 113 I HN 0.124 nan 8.210 nan 0.000 0.413 114 I N 1.151 121.729 120.570 0.014 0.000 2.208 114 I HA -0.296 3.878 4.170 0.007 0.000 0.245 114 I C 2.106 178.260 176.117 0.061 0.000 1.097 114 I CA 1.600 62.953 61.300 0.089 0.000 1.363 114 I CB -1.690 36.366 38.000 0.094 0.000 1.051 114 I HN 0.335 nan 8.210 nan 0.000 0.413 115 N N 1.434 120.152 118.700 0.031 0.000 2.272 115 N HA -0.186 4.559 4.740 0.007 0.000 0.185 115 N C 1.551 177.078 175.510 0.030 0.000 1.014 115 N CA 1.136 54.203 53.050 0.027 0.000 0.870 115 N CB -0.247 38.251 38.487 0.019 0.000 0.975 115 N HN 0.494 nan 8.380 nan 0.000 0.433 116 K N -0.171 120.246 120.400 0.028 0.000 2.404 116 K HA 0.245 4.570 4.320 0.007 0.000 0.194 116 K C 1.610 178.239 176.600 0.049 0.000 1.023 116 K CA -0.093 56.214 56.287 0.032 0.000 1.094 116 K CB 0.189 32.701 32.500 0.021 0.000 0.841 116 K HN 0.150 nan 8.250 nan 0.000 0.523 117 M N 1.075 120.716 119.600 0.068 0.000 2.159 117 M HA -0.052 4.432 4.480 0.007 0.000 0.263 117 M C -1.610 174.723 176.300 0.055 0.000 1.063 117 M CA 0.874 56.223 55.300 0.082 0.000 1.110 117 M CB -1.126 31.543 32.600 0.115 0.000 1.374 117 M HN -0.166 nan 8.290 nan 0.000 0.411 118 P HA 0.067 nan 4.420 nan 0.000 0.271 118 P C -0.752 176.560 177.300 0.020 0.000 1.216 118 P CA 0.057 63.178 63.100 0.035 0.000 0.776 118 P CB 0.634 32.355 31.700 0.034 0.000 0.881 119 V N 1.018 120.935 119.914 0.005 0.000 2.881 119 V HA 0.596 4.720 4.120 0.007 0.000 0.316 119 V C 0.379 176.472 176.094 -0.001 0.000 1.070 119 V CA -1.028 61.266 62.300 -0.010 0.000 0.976 119 V CB 1.029 32.826 31.823 -0.043 0.000 1.038 119 V HN 0.820 nan 8.190 nan 0.000 0.446 120 C N 1.255 120.557 119.300 0.004 0.000 2.633 120 C HA 0.421 4.885 4.460 0.007 0.000 0.345 120 C C 1.759 176.748 174.990 -0.002 0.000 1.384 120 C CA -0.052 58.977 59.018 0.018 0.000 2.418 120 C CB 0.521 28.295 27.740 0.057 0.000 2.425 120 C HN 1.027 nan 8.230 nan 0.000 0.705 121 E N 0.078 120.251 120.200 -0.045 0.000 2.204 121 E HA -0.176 4.178 4.350 0.007 0.000 0.195 121 E C 1.833 178.338 176.600 -0.158 0.000 0.990 121 E CA 1.793 58.124 56.400 -0.114 0.000 0.821 121 E CB -0.389 29.193 29.700 -0.196 0.000 0.750 121 E HN 0.908 nan 8.360 nan 0.000 0.477 122 H N -0.923 118.137 119.070 -0.018 0.000 2.389 122 H HA -0.052 4.511 4.556 0.012 0.000 0.299 122 H C 2.205 177.509 175.328 -0.040 0.000 1.081 122 H CA 1.354 57.385 56.048 -0.029 0.000 1.345 122 H CB 0.110 29.845 29.762 -0.046 0.000 1.393 122 H HN -0.039 nan 8.280 nan 0.000 0.520 123 V N 1.078 121.025 119.914 0.055 0.000 2.332 123 V HA -0.281 3.844 4.120 0.007 0.000 0.248 123 V C 2.018 178.077 176.094 -0.058 0.000 1.055 123 V CA 1.919 64.204 62.300 -0.025 0.000 1.038 123 V CB -0.355 31.434 31.823 -0.057 0.000 0.651 123 V HN 0.408 nan 8.190 nan 0.000 0.450 124 K N 0.409 120.790 120.400 -0.032 0.000 2.057 124 K HA -0.115 4.209 4.320 0.007 0.000 0.207 124 K C 2.334 179.020 176.600 0.142 0.000 1.049 124 K CA 1.496 57.814 56.287 0.052 0.000 0.931 124 K CB -0.491 32.118 32.500 0.183 0.000 0.714 124 K HN 0.465 nan 8.250 nan 0.000 0.440 125 A N 1.573 124.430 122.820 0.061 0.000 1.940 125 A HA -0.146 4.179 4.320 0.007 0.000 0.219 125 A C 2.379 179.981 177.584 0.029 0.000 1.176 125 A CA 1.903 53.966 52.037 0.043 0.000 0.631 125 A CB -0.727 18.275 19.000 0.003 0.000 0.814 125 A HN 0.346 nan 8.150 nan 0.000 0.446 126 A N -0.194 122.632 122.820 0.011 0.000 1.902 126 A HA -0.053 4.271 4.320 0.007 0.000 0.217 126 A C 2.125 179.668 177.584 -0.067 0.000 1.181 126 A CA 1.533 53.558 52.037 -0.019 0.000 0.623 126 A CB -0.530 18.455 19.000 -0.026 0.000 0.818 126 A HN 0.497 nan 8.150 nan 0.000 0.443 127 I N -0.468 120.046 120.570 -0.094 0.000 2.286 127 I HA -0.190 3.984 4.170 0.007 0.000 0.245 127 I C 2.897 178.823 176.117 -0.318 0.000 1.104 127 I CA 0.894 62.067 61.300 -0.213 0.000 1.397 127 I CB -0.269 37.593 38.000 -0.229 0.000 1.072 127 I HN 0.336 nan 8.210 nan 0.000 0.417 128 A N 0.774 123.585 122.820 -0.014 0.000 2.019 128 A HA -0.116 4.208 4.320 0.007 0.000 0.219 128 A C 2.485 180.101 177.584 0.053 0.000 1.164 128 A CA 1.627 53.711 52.037 0.079 0.000 0.644 128 A CB -0.652 18.432 19.000 0.141 0.000 0.805 128 A HN 0.427 nan 8.150 nan 0.000 0.449 129 A N -0.832 121.985 122.820 -0.004 0.000 2.015 129 A HA 0.109 4.433 4.320 0.007 0.000 0.219 129 A C 1.325 178.912 177.584 0.005 0.000 1.163 129 A CA 0.800 52.841 52.037 0.006 0.000 0.646 129 A CB -0.408 18.591 19.000 -0.001 0.000 0.806 129 A HN 0.465 nan 8.150 nan 0.000 0.448 130 M N -0.242 119.332 119.600 -0.044 0.000 2.226 130 M HA 0.236 4.721 4.480 0.007 0.000 0.324 130 M C -2.419 173.937 176.300 0.092 0.000 1.112 130 M CA -2.570 52.726 55.300 -0.007 0.000 1.176 130 M CB -1.034 31.529 32.600 -0.061 0.000 1.430 130 M HN -0.147 nan 8.290 nan 0.000 0.462 131 P HA -0.039 nan 4.420 nan 0.000 0.265 131 P C 0.484 177.693 177.300 -0.153 0.000 1.187 131 P CA 0.259 63.231 63.100 -0.212 0.000 0.766 131 P CB 0.301 31.630 31.700 -0.619 0.000 0.820 132 Q N 2.993 122.644 119.800 -0.247 0.000 2.152 132 Q HA -0.253 4.091 4.340 0.007 0.000 0.206 132 Q C 1.529 177.382 176.000 -0.245 0.000 0.985 132 Q CA 1.555 57.126 55.803 -0.388 0.000 0.863 132 Q CB -0.256 28.282 28.738 -0.332 0.000 0.904 132 Q HN 0.637 nan 8.270 nan 0.000 0.422 133 H N -1.533 117.507 119.070 -0.051 0.000 2.553 133 H HA 0.138 4.699 4.556 0.007 0.000 0.269 133 H C -0.231 175.124 175.328 0.044 0.000 1.011 133 H CA 0.318 56.347 56.048 -0.033 0.000 1.150 133 H CB -0.281 29.471 29.762 -0.018 0.000 1.339 133 H HN -0.022 nan 8.280 nan 0.000 0.604 134 T N 2.739 117.323 114.554 0.050 0.000 2.908 134 T HA -0.133 4.221 4.350 0.007 0.000 0.301 134 T C 0.317 175.145 174.700 0.214 0.000 1.019 134 T CA 0.014 62.222 62.100 0.180 0.000 1.152 134 T CB 0.408 69.344 68.868 0.113 0.000 0.966 134 T HN 0.449 nan 8.240 nan 0.000 0.540 135 H N 4.819 124.000 119.070 0.185 0.000 2.928 135 H HA 0.035 4.596 4.556 0.007 0.000 0.338 135 H C -1.769 173.555 175.328 -0.006 0.000 1.047 135 H CA -1.696 54.432 56.048 0.133 0.000 1.435 135 H CB 1.056 30.977 29.762 0.265 0.000 1.428 135 H HN 0.354 nan 8.280 nan 0.000 0.590 136 P HA -0.184 nan 4.420 nan 0.000 0.217 136 P C 1.808 179.074 177.300 -0.056 0.000 1.148 136 P CA 1.223 64.296 63.100 -0.044 0.000 0.828 136 P CB 0.215 31.878 31.700 -0.063 0.000 0.783 137 M N -1.309 118.272 119.600 -0.032 0.000 2.213 137 M HA -0.099 4.386 4.480 0.007 0.000 0.263 137 M C 2.212 178.105 176.300 -0.679 0.000 1.062 137 M CA 1.614 56.584 55.300 -0.551 0.000 1.105 137 M CB -1.833 29.953 32.600 -1.356 0.000 1.385 137 M HN -0.026 nan 8.290 nan 0.000 0.417 138 S N -0.107 115.230 115.700 -0.605 0.000 2.387 138 S HA -0.061 4.414 4.470 0.007 0.000 0.226 138 S C 2.071 176.588 174.600 -0.138 0.000 1.026 138 S CA 1.407 59.422 58.200 -0.308 0.000 0.972 138 S CB 0.036 63.235 63.200 -0.002 0.000 0.814 138 S HN 0.443 nan 8.310 nan 0.000 0.477 139 S N 1.724 117.361 115.700 -0.105 0.000 2.399 139 S HA 0.027 4.502 4.470 0.007 0.000 0.231 139 S C 1.716 176.254 174.600 -0.104 0.000 1.022 139 S CA 0.741 58.882 58.200 -0.098 0.000 0.983 139 S CB -0.309 62.846 63.200 -0.075 0.000 0.803 139 S HN 0.360 nan 8.310 nan 0.000 0.480 140 L N 1.295 122.450 121.223 -0.113 0.000 2.017 140 L HA -0.026 4.319 4.340 0.007 0.000 0.208 140 L C 2.140 178.964 176.870 -0.077 0.000 1.073 140 L CA 1.632 56.420 54.840 -0.087 0.000 0.745 140 L CB -1.319 40.691 42.059 -0.082 0.000 0.894 140 L HN 0.347 nan 8.230 nan 0.000 0.432 141 I N -0.217 120.294 120.570 -0.098 0.000 2.226 141 I HA -0.290 3.884 4.170 0.007 0.000 0.245 141 I C 2.715 178.805 176.117 -0.044 0.000 1.100 141 I CA 1.171 62.436 61.300 -0.058 0.000 1.374 141 I CB -0.402 37.574 38.000 -0.039 0.000 1.057 141 I HN 0.181 nan 8.210 nan 0.000 0.413 142 A N 0.901 123.689 122.820 -0.054 0.000 1.883 142 A HA -0.176 4.148 4.320 0.007 0.000 0.217 142 A C 2.432 179.980 177.584 -0.059 0.000 1.186 142 A CA 2.155 54.161 52.037 -0.051 0.000 0.624 142 A CB -1.476 17.485 19.000 -0.065 0.000 0.822 142 A HN 0.474 nan 8.150 nan 0.000 0.444 143 G N -0.971 107.785 108.800 -0.073 0.000 2.394 143 G HA2 -0.030 3.934 3.960 0.007 0.000 0.215 143 G HA3 -0.030 3.934 3.960 0.007 0.000 0.215 143 G C 1.456 176.319 174.900 -0.063 0.000 1.165 143 G CA 1.097 46.151 45.100 -0.077 0.000 0.784 143 G HN 0.329 nan 8.290 nan 0.000 0.535 144 V N 1.416 121.304 119.914 -0.043 0.000 2.626 144 V HA -0.167 3.957 4.120 0.007 0.000 0.252 144 V C 2.567 178.637 176.094 -0.041 0.000 1.067 144 V CA 1.853 64.141 62.300 -0.019 0.000 1.081 144 V CB -0.459 31.377 31.823 0.021 0.000 0.686 144 V HN 0.436 nan 8.190 nan 0.000 0.468 145 N N 0.628 119.303 118.700 -0.041 0.000 2.166 145 N HA -0.145 4.599 4.740 0.007 0.000 0.186 145 N C 1.614 177.082 175.510 -0.069 0.000 1.019 145 N CA 1.511 54.536 53.050 -0.042 0.000 0.856 145 N CB -0.264 38.206 38.487 -0.028 0.000 0.993 145 N HN 0.261 nan 8.380 nan 0.000 0.426 146 V N 1.096 120.964 119.914 -0.076 0.000 2.332 146 V HA -0.231 3.893 4.120 0.007 0.000 0.248 146 V C 2.335 178.336 176.094 -0.156 0.000 1.055 146 V CA 1.425 63.668 62.300 -0.094 0.000 1.038 146 V CB -0.613 31.175 31.823 -0.058 0.000 0.651 146 V HN 0.353 nan 8.190 nan 0.000 0.450 147 L N 0.032 121.124 121.223 -0.219 0.000 2.046 147 L HA -0.148 4.197 4.340 0.007 0.000 0.208 147 L C 2.766 179.301 176.870 -0.558 0.000 1.077 147 L CA 1.548 56.114 54.840 -0.456 0.000 0.747 147 L CB -0.926 40.764 42.059 -0.615 0.000 0.896 147 L HN 0.367 nan 8.230 nan 0.000 0.432 148 A N 0.320 122.962 122.820 -0.298 0.000 1.877 148 A HA -0.163 4.161 4.320 0.007 0.000 0.216 148 A C 2.582 180.147 177.584 -0.033 0.000 1.186 148 A CA 1.768 53.757 52.037 -0.079 0.000 0.620 148 A CB -0.720 18.296 19.000 0.025 0.000 0.822 148 A HN 0.390 nan 8.150 nan 0.000 0.443 149 A N 0.007 122.787 122.820 -0.066 0.000 1.908 149 A HA -0.212 4.113 4.320 0.007 0.000 0.218 149 A C 1.926 179.487 177.584 -0.040 0.000 1.181 149 A CA 1.739 53.746 52.037 -0.050 0.000 0.627 149 A CB -0.589 18.361 19.000 -0.083 0.000 0.818 149 A HN 0.663 nan 8.150 nan 0.000 0.445 150 E N -1.465 118.684 120.200 -0.085 0.000 2.106 150 E HA -0.187 4.167 4.350 0.007 0.000 0.192 150 E C 1.995 178.604 176.600 0.015 0.000 0.984 150 E CA 0.865 57.237 56.400 -0.047 0.000 0.806 150 E CB -0.418 29.226 29.700 -0.092 0.000 0.750 150 E HN 0.836 nan 8.360 nan 0.000 0.458 151 H N 1.092 120.089 119.070 -0.123 0.000 2.319 151 H HA -0.134 4.426 4.556 0.008 0.000 0.299 151 H C 2.065 177.407 175.328 0.024 0.000 1.092 151 H CA 1.262 57.289 56.048 -0.033 0.000 1.302 151 H CB 0.236 30.009 29.762 0.019 0.000 1.373 151 H HN 0.080 nan 8.280 nan 0.000 0.497 152 I N 0.633 121.191 120.570 -0.019 0.000 2.252 152 I HA -0.257 3.918 4.170 0.007 0.000 0.245 152 I C 2.609 178.702 176.117 -0.041 0.000 1.102 152 I CA 1.227 62.495 61.300 -0.053 0.000 1.385 152 I CB -1.504 36.511 38.000 0.025 0.000 1.064 152 I HN 0.481 nan 8.210 nan 0.000 0.414 153 H N 1.501 120.522 119.070 -0.081 0.000 2.387 153 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 153 H C 1.293 176.576 175.328 -0.074 0.000 1.090 153 H CA 1.276 57.282 56.048 -0.071 0.000 1.332 153 H CB 0.293 30.012 29.762 -0.071 0.000 1.386 153 H HN 0.272 nan 8.280 nan 0.000 0.516 154 N N -0.099 118.540 118.700 -0.102 0.000 2.521 154 N HA -0.009 4.735 4.740 0.007 0.000 0.188 154 N C 1.135 176.548 175.510 -0.162 0.000 1.146 154 N CA 0.950 53.919 53.050 -0.136 0.000 0.893 154 N CB 0.367 38.829 38.487 -0.042 0.000 0.975 154 N HN 0.639 nan 8.380 nan 0.000 0.451 155 G N 1.316 110.002 108.800 -0.189 0.000 2.159 155 G HA2 -0.317 3.647 3.960 0.007 0.000 0.227 155 G HA3 -0.317 3.647 3.960 0.007 0.000 0.227 155 G C -0.154 174.638 174.900 -0.180 0.000 0.986 155 G CA 0.071 45.078 45.100 -0.157 0.000 0.651 155 G HN 0.523 nan 8.290 nan 0.000 0.523 156 Q N -1.292 118.302 119.800 -0.344 0.000 2.426 156 Q HA -0.233 4.111 4.340 0.007 0.000 0.359 156 Q C 0.287 176.196 176.000 -0.152 0.000 1.381 156 Q CA 1.581 57.035 55.803 -0.582 0.000 1.060 156 Q CB -1.045 27.358 28.738 -0.558 0.000 1.253 156 Q HN 0.384 nan 8.270 nan 0.000 0.363 157 K N 0.635 121.003 120.400 -0.055 0.000 2.536 157 K HA 0.157 4.481 4.320 0.007 0.000 0.203 157 K C -0.041 176.618 176.600 0.098 0.000 1.063 157 K CA -0.100 56.211 56.287 0.040 0.000 1.063 157 K CB 0.803 33.309 32.500 0.011 0.000 0.843 157 K HN 0.606 nan 8.250 nan 0.000 0.521 158 E N 2.330 122.632 120.200 0.170 0.000 2.414 158 E HA 0.017 4.371 4.350 0.007 0.000 0.263 158 E C -0.084 176.622 176.600 0.178 0.000 1.000 158 E CA -0.007 56.508 56.400 0.191 0.000 0.914 158 E CB 0.714 30.580 29.700 0.277 0.000 0.948 158 E HN 0.185 nan 8.360 nan 0.000 0.444 159 S N 3.183 118.960 115.700 0.129 0.000 2.576 159 S HA -0.057 4.417 4.470 0.007 0.000 0.272 159 S C 1.007 175.677 174.600 0.116 0.000 1.352 159 S CA -0.071 58.197 58.200 0.114 0.000 1.021 159 S CB 1.270 64.527 63.200 0.095 0.000 0.887 159 S HN 0.736 nan 8.310 nan 0.000 0.542 160 Q N 0.739 120.606 119.800 0.112 0.000 2.084 160 Q HA -0.147 4.197 4.340 0.007 0.000 0.202 160 Q C 1.736 177.759 176.000 0.039 0.000 0.978 160 Q CA 1.812 57.691 55.803 0.126 0.000 0.844 160 Q CB -0.253 28.543 28.738 0.097 0.000 0.898 160 Q HN 0.959 nan 8.270 nan 0.000 0.426 161 D N -0.173 120.229 120.400 0.003 0.000 2.277 161 D HA -0.169 4.475 4.640 0.007 0.000 0.208 161 D C 1.503 177.813 176.300 0.017 0.000 0.962 161 D CA 0.828 54.788 54.000 -0.066 0.000 0.865 161 D CB -0.087 40.671 40.800 -0.070 0.000 0.939 161 D HN 0.111 nan 8.370 nan 0.000 0.510 162 E N 0.891 121.126 120.200 0.058 0.000 2.072 162 E HA -0.089 4.266 4.350 0.007 0.000 0.191 162 E C 2.148 178.769 176.600 0.036 0.000 0.985 162 E CA 0.696 57.136 56.400 0.066 0.000 0.801 162 E CB -0.234 29.520 29.700 0.089 0.000 0.750 162 E HN 0.096 nan 8.360 nan 0.000 0.452 163 V N 0.817 120.733 119.914 0.004 0.000 2.332 163 V HA -0.295 3.830 4.120 0.007 0.000 0.248 163 V C 2.331 178.332 176.094 -0.156 0.000 1.055 163 V CA 1.895 64.127 62.300 -0.112 0.000 1.038 163 V CB -0.950 30.695 31.823 -0.295 0.000 0.651 163 V HN 0.444 nan 8.190 nan 0.000 0.450 164 A N -0.285 122.465 122.820 -0.116 0.000 1.902 164 A HA -0.243 4.081 4.320 0.007 0.000 0.217 164 A C 2.287 179.824 177.584 -0.079 0.000 1.181 164 A CA 2.009 53.977 52.037 -0.115 0.000 0.623 164 A CB -0.443 18.485 19.000 -0.119 0.000 0.818 164 A HN 0.552 nan 8.150 nan 0.000 0.443 165 K N -0.670 119.703 120.400 -0.045 0.000 2.097 165 K HA -0.174 4.150 4.320 0.007 0.000 0.206 165 K C 2.028 178.599 176.600 -0.048 0.000 1.049 165 K CA 1.527 57.772 56.287 -0.071 0.000 0.933 165 K CB -0.240 32.232 32.500 -0.047 0.000 0.717 165 K HN 0.486 nan 8.250 nan 0.000 0.442 166 N N 1.084 119.785 118.700 0.002 0.000 2.106 166 N HA -0.144 4.600 4.740 0.007 0.000 0.188 166 N C 1.635 177.192 175.510 0.079 0.000 1.029 166 N CA 0.834 53.919 53.050 0.059 0.000 0.848 166 N CB -0.019 38.548 38.487 0.134 0.000 1.007 166 N HN 0.039 nan 8.380 nan 0.000 0.423 167 I N -0.156 120.444 120.570 0.050 0.000 2.353 167 I HA -0.079 4.096 4.170 0.007 0.000 0.248 167 I C 1.775 177.910 176.117 0.030 0.000 1.119 167 I CA 0.726 62.062 61.300 0.059 0.000 1.417 167 I CB -0.329 37.630 38.000 -0.068 0.000 1.078 167 I HN -0.041 nan 8.210 nan 0.000 0.421 168 V N 1.230 121.136 119.914 -0.014 0.000 2.287 168 V HA -0.314 3.811 4.120 0.007 0.000 0.248 168 V C 2.755 178.908 176.094 0.097 0.000 1.053 168 V CA 1.909 64.202 62.300 -0.012 0.000 1.027 168 V CB -1.543 30.206 31.823 -0.123 0.000 0.646 168 V HN 0.554 nan 8.190 nan 0.000 0.447 169 A N -0.263 122.599 122.820 0.071 0.000 1.865 169 A HA -0.250 4.075 4.320 0.007 0.000 0.217 169 A C 2.281 179.963 177.584 0.162 0.000 1.191 169 A CA 2.114 54.256 52.037 0.174 0.000 0.623 169 A CB -0.426 18.620 19.000 0.077 0.000 0.826 169 A HN 0.550 nan 8.150 nan 0.000 0.444 170 K N -1.236 119.220 120.400 0.093 0.000 2.305 170 K HA 0.085 4.409 4.320 0.007 0.000 0.199 170 K C 1.657 178.277 176.600 0.033 0.000 1.047 170 K CA 0.699 57.020 56.287 0.056 0.000 0.976 170 K CB -0.149 32.376 32.500 0.041 0.000 0.765 170 K HN 0.428 nan 8.250 nan 0.000 0.474 171 I N 1.401 121.995 120.570 0.040 0.000 2.394 171 I HA -0.207 3.968 4.170 0.007 0.000 0.251 171 I C 1.986 178.070 176.117 -0.054 0.000 1.136 171 I CA 0.940 62.240 61.300 -0.001 0.000 1.425 171 I CB -0.153 37.848 38.000 0.001 0.000 1.079 171 I HN 0.069 nan 8.210 nan 0.000 0.425 172 A N -0.915 121.863 122.820 -0.071 0.000 1.897 172 A HA -0.157 4.168 4.320 0.007 0.000 0.215 172 A C 2.323 179.927 177.584 0.033 0.000 1.181 172 A CA 2.182 54.108 52.037 -0.184 0.000 0.620 172 A CB -1.277 17.442 19.000 -0.468 0.000 0.821 172 A HN 0.425 nan 8.150 nan 0.000 0.443 173 T N 0.586 115.155 114.554 0.026 0.000 2.684 173 T HA -0.131 4.224 4.350 0.007 0.000 0.267 173 T C 1.799 176.485 174.700 -0.022 0.000 1.036 173 T CA 1.637 63.753 62.100 0.027 0.000 1.148 173 T CB -0.456 68.417 68.868 0.009 0.000 0.863 173 T HN 0.412 nan 8.240 nan 0.000 0.436 174 I N 1.369 121.913 120.570 -0.043 0.000 2.226 174 I HA -0.200 3.974 4.170 0.007 0.000 0.245 174 I C 2.928 179.021 176.117 -0.039 0.000 1.100 174 I CA 1.154 62.404 61.300 -0.084 0.000 1.374 174 I CB -0.497 37.460 38.000 -0.071 0.000 1.057 174 I HN 0.201 nan 8.210 nan 0.000 0.413 175 A N 0.725 123.562 122.820 0.028 0.000 1.902 175 A HA -0.189 4.135 4.320 0.007 0.000 0.217 175 A C 2.545 180.248 177.584 0.199 0.000 1.181 175 A CA 1.938 54.041 52.037 0.111 0.000 0.623 175 A CB -0.877 18.185 19.000 0.104 0.000 0.818 175 A HN 0.440 nan 8.150 nan 0.000 0.443 176 A N -0.655 122.299 122.820 0.225 0.000 1.933 176 A HA -0.115 4.209 4.320 0.007 0.000 0.218 176 A C 2.226 179.838 177.584 0.046 0.000 1.175 176 A CA 1.838 53.902 52.037 0.045 0.000 0.628 176 A CB -0.531 18.429 19.000 -0.066 0.000 0.814 176 A HN 0.540 nan 8.150 nan 0.000 0.444 177 M N -0.538 119.036 119.600 -0.043 0.000 2.229 177 M HA -0.081 4.404 4.480 0.007 0.000 0.264 177 M C 2.457 178.786 176.300 0.049 0.000 1.063 177 M CA 1.138 56.346 55.300 -0.153 0.000 1.114 177 M CB -0.363 31.820 32.600 -0.696 0.000 1.387 177 M HN 0.464 nan 8.290 nan 0.000 0.420 178 A N -0.159 122.687 122.820 0.044 0.000 1.908 178 A HA -0.247 4.078 4.320 0.007 0.000 0.218 178 A C 2.033 179.733 177.584 0.193 0.000 1.181 178 A CA 1.716 53.815 52.037 0.103 0.000 0.627 178 A CB -1.138 17.900 19.000 0.062 0.000 0.818 178 A HN 0.619 nan 8.150 nan 0.000 0.445 179 Y N 0.401 120.744 120.300 0.072 0.000 2.163 179 Y HA -0.215 4.339 4.550 0.007 0.000 0.288 179 Y C 2.574 178.586 175.900 0.187 0.000 1.136 179 Y CA 1.990 60.148 58.100 0.097 0.000 1.147 179 Y CB -0.102 38.316 38.460 -0.070 0.000 0.987 179 Y HN 0.175 nan 8.280 nan 0.000 0.509 180 R N -0.489 120.076 120.500 0.107 0.000 2.083 180 R HA -0.238 4.107 4.340 0.007 0.000 0.237 180 R C 2.123 178.469 176.300 0.078 0.000 1.137 180 R CA 1.940 58.073 56.100 0.054 0.000 0.951 180 R CB -1.527 28.921 30.300 0.247 0.000 0.851 180 R HN 0.532 nan 8.270 nan 0.000 0.434 181 H N 1.230 120.398 119.070 0.162 0.000 2.319 181 H HA -0.066 4.495 4.556 0.009 0.000 0.297 181 H C 1.592 176.885 175.328 -0.058 0.000 1.097 181 H CA 2.263 58.366 56.048 0.092 0.000 1.285 181 H CB -0.318 29.557 29.762 0.187 0.000 1.368 181 H HN 0.323 nan 8.280 nan 0.000 0.495 182 N N -1.351 117.268 118.700 -0.136 0.000 2.223 182 N HA -0.141 4.603 4.740 0.007 0.000 0.185 182 N C 0.573 175.767 175.510 -0.527 0.000 1.016 182 N CA 1.008 53.858 53.050 -0.334 0.000 0.863 182 N CB 0.021 38.309 38.487 -0.332 0.000 0.983 182 N HN 0.535 nan 8.380 nan 0.000 0.429 183 H N -1.202 117.664 119.070 -0.340 0.000 2.520 183 H HA 0.278 4.838 4.556 0.007 0.000 0.284 183 H C 0.967 176.148 175.328 -0.245 0.000 1.037 183 H CA 0.261 56.118 56.048 -0.317 0.000 1.168 183 H CB 0.492 29.978 29.762 -0.460 0.000 1.497 183 H HN 0.156 nan 8.280 nan 0.000 0.547 184 G N 1.263 109.947 108.800 -0.194 0.000 2.283 184 G HA2 -0.303 3.661 3.960 0.007 0.000 0.280 184 G HA3 -0.303 3.661 3.960 0.007 0.000 0.280 184 G C -0.059 174.751 174.900 -0.150 0.000 1.029 184 G CA 0.103 45.091 45.100 -0.187 0.000 0.840 184 G HN 0.132 nan 8.290 nan 0.000 0.505 185 K N 0.206 120.523 120.400 -0.137 0.000 2.123 185 K HA 0.460 4.784 4.320 0.007 0.000 0.248 185 K C 0.821 177.312 176.600 -0.183 0.000 0.969 185 K CA -0.779 55.432 56.287 -0.126 0.000 0.882 185 K CB 1.294 33.740 32.500 -0.092 0.000 1.080 185 K HN 0.617 nan 8.250 nan 0.000 0.441 186 K N 0.438 120.735 120.400 -0.171 0.000 2.202 186 K HA 0.253 4.577 4.320 0.007 0.000 0.264 186 K C -0.580 175.965 176.600 -0.093 0.000 1.010 186 K CA -0.363 55.782 56.287 -0.236 0.000 0.940 186 K CB 0.189 32.602 32.500 -0.146 0.000 0.983 186 K HN 0.055 nan 8.250 nan 0.000 0.475 187 F N 1.972 121.910 119.950 -0.021 0.000 2.484 187 F HA 0.215 4.746 4.527 0.007 0.000 0.360 187 F C 0.384 176.173 175.800 -0.019 0.000 1.101 187 F CA -0.779 57.210 58.000 -0.018 0.000 1.251 187 F CB 0.088 39.086 39.000 -0.005 0.000 1.132 187 F HN 0.271 nan 8.300 nan 0.000 0.570 188 L N 3.412 124.739 121.223 0.173 0.000 2.317 188 L HA 0.375 4.719 4.340 0.007 0.000 0.281 188 L C 0.261 177.215 176.870 0.140 0.000 1.024 188 L CA -1.092 53.809 54.840 0.102 0.000 0.810 188 L CB 1.219 43.263 42.059 -0.024 0.000 1.240 188 L HN 0.444 nan 8.230 nan 0.000 0.427 189 E N 3.360 123.650 120.200 0.151 0.000 2.383 189 E HA 0.203 4.557 4.350 0.007 0.000 0.264 189 E C -2.229 174.488 176.600 0.195 0.000 1.050 189 E CA -1.663 54.818 56.400 0.135 0.000 0.896 189 E CB 0.290 30.046 29.700 0.093 0.000 0.982 189 E HN 0.279 nan 8.360 nan 0.000 0.424 190 P HA 0.098 nan 4.420 nan 0.000 0.272 190 P C -0.630 176.677 177.300 0.013 0.000 1.230 190 P CA -0.077 63.105 63.100 0.136 0.000 0.788 190 P CB 0.711 32.480 31.700 0.115 0.000 0.949 191 K N 1.887 122.211 120.400 -0.127 0.000 2.185 191 K HA 0.307 4.632 4.320 0.007 0.000 0.269 191 K C 1.384 177.898 176.600 -0.145 0.000 0.987 191 K CA -0.750 55.360 56.287 -0.295 0.000 0.865 191 K CB 0.891 32.886 32.500 -0.842 0.000 1.090 191 K HN 0.289 nan 8.250 nan 0.000 0.450 192 M N 1.871 121.412 119.600 -0.099 0.000 2.374 192 M HA -0.122 4.362 4.480 0.007 0.000 0.264 192 M C 1.552 177.849 176.300 -0.006 0.000 1.067 192 M CA 1.500 56.785 55.300 -0.025 0.000 1.103 192 M CB -0.520 32.071 32.600 -0.016 0.000 1.402 192 M HN 0.649 nan 8.290 nan 0.000 0.444 193 E N -0.907 119.260 120.200 -0.055 0.000 2.479 193 E HA -0.042 4.313 4.350 0.007 0.000 0.193 193 E C -0.357 176.353 176.600 0.183 0.000 1.049 193 E CA 0.086 56.499 56.400 0.022 0.000 0.870 193 E CB -0.009 29.681 29.700 -0.017 0.000 0.944 193 E HN 0.222 nan 8.360 nan 0.000 0.492 194 Y N 1.141 121.427 120.300 -0.023 0.000 2.335 194 Y HA 0.549 5.103 4.550 0.007 0.000 0.323 194 Y C 1.371 177.305 175.900 0.057 0.000 1.224 194 Y CA -1.119 56.979 58.100 -0.004 0.000 1.241 194 Y CB 1.014 39.447 38.460 -0.044 0.000 1.235 194 Y HN -0.054 nan 8.280 nan 0.000 0.492 195 G N 0.515 109.446 108.800 0.218 0.000 2.553 195 G HA2 0.005 3.969 3.960 0.007 0.000 0.278 195 G HA3 0.005 3.969 3.960 0.007 0.000 0.278 195 G C 0.316 175.389 174.900 0.289 0.000 1.349 195 G CA -0.057 45.172 45.100 0.216 0.000 1.037 195 G HN 0.707 nan 8.290 nan 0.000 0.508 196 Y N 0.485 120.898 120.300 0.189 0.000 2.130 196 Y HA 0.059 4.612 4.550 0.006 0.000 0.287 196 Y C 2.900 178.989 175.900 0.315 0.000 1.124 196 Y CA 2.371 60.613 58.100 0.237 0.000 1.118 196 Y CB -0.525 38.090 38.460 0.260 0.000 0.994 196 Y HN 0.389 nan 8.280 nan 0.000 0.497 197 A N 0.047 123.106 122.820 0.399 0.000 1.933 197 A HA -0.239 4.085 4.320 0.007 0.000 0.218 197 A C 2.210 179.906 177.584 0.186 0.000 1.175 197 A CA 1.924 54.115 52.037 0.256 0.000 0.628 197 A CB -0.928 18.112 19.000 0.067 0.000 0.814 197 A HN 0.676 nan 8.150 nan 0.000 0.444 198 E N -0.147 120.134 120.200 0.135 0.000 2.051 198 E HA -0.218 4.137 4.350 0.007 0.000 0.192 198 E C 1.824 178.510 176.600 0.143 0.000 0.991 198 E CA 1.233 57.652 56.400 0.032 0.000 0.799 198 E CB -0.164 29.460 29.700 -0.126 0.000 0.748 198 E HN 0.562 nan 8.360 nan 0.000 0.449 199 N N -0.043 118.804 118.700 0.245 0.000 2.166 199 N HA -0.162 4.582 4.740 0.007 0.000 0.186 199 N C 1.646 177.333 175.510 0.295 0.000 1.019 199 N CA 0.881 54.138 53.050 0.345 0.000 0.856 199 N CB -0.341 38.310 38.487 0.274 0.000 0.993 199 N HN 0.205 nan 8.380 nan 0.000 0.426 200 F N 1.893 121.873 119.950 0.049 0.000 2.102 200 F HA -0.058 4.473 4.527 0.007 0.000 0.298 200 F C 2.151 177.958 175.800 0.012 0.000 1.105 200 F CA 1.047 59.038 58.000 -0.016 0.000 1.239 200 F CB -0.568 38.404 39.000 -0.048 0.000 0.991 200 F HN -0.076 nan 8.300 nan 0.000 0.474 201 L N -0.939 120.253 121.223 -0.051 0.000 2.042 201 L HA -0.260 4.085 4.340 0.007 0.000 0.210 201 L C 2.472 179.401 176.870 0.099 0.000 1.076 201 L CA 1.891 56.704 54.840 -0.046 0.000 0.749 201 L CB -1.133 41.042 42.059 0.193 0.000 0.893 201 L HN 0.304 nan 8.230 nan 0.000 0.432 202 Y N 0.512 120.902 120.300 0.149 0.000 2.145 202 Y HA -0.259 4.296 4.550 0.007 0.000 0.286 202 Y C 2.570 178.513 175.900 0.073 0.000 1.145 202 Y CA 1.655 59.931 58.100 0.295 0.000 1.148 202 Y CB -0.206 38.513 38.460 0.432 0.000 0.981 202 Y HN 0.016 nan 8.280 nan 0.000 0.507 203 M N -0.580 119.001 119.600 -0.031 0.000 2.374 203 M HA -0.215 4.269 4.480 0.007 0.000 0.264 203 M C 2.071 178.190 176.300 -0.303 0.000 1.067 203 M CA 1.424 56.621 55.300 -0.171 0.000 1.103 203 M CB -0.206 32.400 32.600 0.010 0.000 1.402 203 M HN 0.446 nan 8.290 nan 0.000 0.444 204 M N -1.392 117.898 119.600 -0.517 0.000 2.216 204 M HA -0.052 4.433 4.480 0.007 0.000 0.264 204 M C 1.103 177.045 176.300 -0.598 0.000 1.080 204 M CA 1.537 56.397 55.300 -0.734 0.000 1.153 204 M CB 0.108 31.785 32.600 -1.539 0.000 1.356 204 M HN 0.166 nan 8.290 nan 0.000 0.432 205 F N -0.269 119.456 119.950 -0.375 0.000 2.720 205 F HA 0.379 4.911 4.527 0.008 0.000 0.301 205 F C 1.188 176.513 175.800 -0.792 0.000 1.103 205 F CA -0.785 56.934 58.000 -0.468 0.000 1.291 205 F CB -0.497 38.251 39.000 -0.420 0.000 1.086 205 F HN -0.120 nan 8.300 nan 0.000 0.592 206 A N 0.310 122.696 122.820 -0.723 0.000 2.511 206 A HA 0.090 4.414 4.320 0.007 0.000 0.242 206 A C 0.800 178.151 177.584 -0.388 0.000 1.069 206 A CA 0.153 51.720 52.037 -0.784 0.000 0.763 206 A CB -0.070 18.519 19.000 -0.684 0.000 1.001 206 A HN 0.310 nan 8.150 nan 0.000 0.498 207 D N -0.439 119.819 120.400 -0.237 0.000 2.366 207 D HA 0.172 4.816 4.640 0.007 0.000 0.205 207 D C -0.174 176.104 176.300 -0.035 0.000 1.022 207 D CA 1.328 55.266 54.000 -0.103 0.000 0.868 207 D CB 0.301 41.068 40.800 -0.055 0.000 0.953 207 D HN 0.849 nan 8.370 nan 0.000 0.514 208 D N -2.405 118.007 120.400 0.020 0.000 2.692 208 D HA 0.135 4.779 4.640 0.007 0.000 0.303 208 D C 0.035 176.449 176.300 0.190 0.000 1.278 208 D CA -0.588 53.458 54.000 0.076 0.000 0.852 208 D CB 0.393 41.241 40.800 0.080 0.000 1.375 208 D HN -0.334 nan 8.370 nan 0.000 0.453 209 E N -0.749 119.576 120.200 0.209 0.000 2.472 209 E HA -0.009 4.345 4.350 0.007 0.000 0.200 209 E C 1.286 178.058 176.600 0.285 0.000 1.046 209 E CA 1.064 57.647 56.400 0.305 0.000 0.871 209 E CB -0.117 29.684 29.700 0.168 0.000 0.806 209 E HN 0.448 nan 8.360 nan 0.000 0.533 210 S N -0.679 115.170 115.700 0.250 0.000 2.558 210 S HA -0.045 4.430 4.470 0.007 0.000 0.217 210 S C 0.525 175.296 174.600 0.284 0.000 0.975 210 S CA -0.508 57.815 58.200 0.205 0.000 0.912 210 S CB -0.345 62.938 63.200 0.138 0.000 0.776 210 S HN 0.291 nan 8.310 nan 0.000 0.526 211 Y N 2.874 123.346 120.300 0.288 0.000 2.632 211 Y HA 0.395 4.949 4.550 0.007 0.000 0.329 211 Y C -0.118 175.991 175.900 0.348 0.000 1.174 211 Y CA 0.030 58.302 58.100 0.287 0.000 1.469 211 Y CB 0.342 38.964 38.460 0.271 0.000 1.242 211 Y HN -0.011 nan 8.280 nan 0.000 0.540 212 K N 8.363 128.529 120.400 -0.390 0.000 2.559 212 K HA 0.403 4.728 4.320 0.007 0.000 0.249 212 K C -2.684 173.548 176.600 -0.613 0.000 0.958 212 K CA -1.880 54.202 56.287 -0.342 0.000 0.901 212 K CB 1.294 33.685 32.500 -0.182 0.000 1.124 212 K HN 0.401 nan 8.250 nan 0.000 0.437 213 P HA -0.039 nan 4.420 nan 0.000 0.267 213 P C -0.613 176.516 177.300 -0.285 0.000 1.200 213 P CA -0.300 62.600 63.100 -0.332 0.000 0.772 213 P CB 0.518 32.168 31.700 -0.082 0.000 0.855 214 D N 1.731 121.959 120.400 -0.287 0.000 2.424 214 D HA -0.055 4.589 4.640 0.007 0.000 0.244 214 D C 1.140 177.324 176.300 -0.194 0.000 1.134 214 D CA 0.225 54.043 54.000 -0.303 0.000 0.881 214 D CB 0.592 41.075 40.800 -0.530 0.000 1.191 214 D HN 0.233 nan 8.370 nan 0.000 0.445 215 E N 2.559 122.668 120.200 -0.152 0.000 2.160 215 E HA -0.159 4.195 4.350 0.007 0.000 0.195 215 E C 1.769 178.337 176.600 -0.053 0.000 0.991 215 E CA 0.419 56.764 56.400 -0.093 0.000 0.810 215 E CB -0.110 29.544 29.700 -0.077 0.000 0.742 215 E HN 0.468 nan 8.360 nan 0.000 0.466 216 L N 0.812 121.999 121.223 -0.060 0.000 2.012 216 L HA -0.194 4.150 4.340 0.007 0.000 0.210 216 L C 2.110 179.045 176.870 0.109 0.000 1.073 216 L CA 1.896 56.745 54.840 0.015 0.000 0.748 216 L CB -0.636 41.441 42.059 0.030 0.000 0.891 216 L HN 0.267 nan 8.230 nan 0.000 0.431 217 H N -1.621 117.405 119.070 -0.074 0.000 2.395 217 H HA -0.061 4.499 4.556 0.007 0.000 0.299 217 H C 2.318 177.597 175.328 -0.081 0.000 1.070 217 H CA 1.119 57.123 56.048 -0.073 0.000 1.356 217 H CB 0.176 29.904 29.762 -0.057 0.000 1.401 217 H HN 0.321 nan 8.280 nan 0.000 0.524 218 I N 1.108 121.709 120.570 0.051 0.000 2.179 218 I HA -0.281 3.894 4.170 0.007 0.000 0.242 218 I C 2.648 178.740 176.117 -0.040 0.000 1.088 218 I CA 1.294 62.589 61.300 -0.009 0.000 1.357 218 I CB -0.197 37.785 38.000 -0.031 0.000 1.051 218 I HN 0.180 nan 8.210 nan 0.000 0.409 219 K N 1.344 121.728 120.400 -0.027 0.000 2.057 219 K HA -0.203 4.122 4.320 0.007 0.000 0.207 219 K C 2.206 178.762 176.600 -0.073 0.000 1.049 219 K CA 1.576 57.842 56.287 -0.035 0.000 0.931 219 K CB -0.106 32.382 32.500 -0.020 0.000 0.714 219 K HN 0.299 nan 8.250 nan 0.000 0.440 220 A N 1.066 123.838 122.820 -0.080 0.000 1.902 220 A HA -0.191 4.133 4.320 0.007 0.000 0.217 220 A C 2.063 179.515 177.584 -0.220 0.000 1.181 220 A CA 1.698 53.659 52.037 -0.127 0.000 0.623 220 A CB -0.485 18.441 19.000 -0.123 0.000 0.818 220 A HN 0.442 nan 8.150 nan 0.000 0.443 221 M N 0.276 119.712 119.600 -0.273 0.000 2.117 221 M HA -0.121 4.363 4.480 0.007 0.000 0.262 221 M C 1.698 177.507 176.300 -0.817 0.000 1.065 221 M CA 2.120 57.095 55.300 -0.542 0.000 1.114 221 M CB -0.569 31.768 32.600 -0.438 0.000 1.361 221 M HN 0.559 nan 8.290 nan 0.000 0.408 222 D N -1.454 118.678 120.400 -0.446 0.000 2.123 222 D HA -0.175 4.470 4.640 0.007 0.000 0.196 222 D C 1.345 177.552 176.300 -0.155 0.000 0.992 222 D CA 1.922 55.774 54.000 -0.246 0.000 0.833 222 D CB 0.169 40.962 40.800 -0.011 0.000 0.954 222 D HN 0.388 nan 8.370 nan 0.000 0.455 223 T N 0.886 115.362 114.554 -0.131 0.000 2.777 223 T HA -0.073 4.281 4.350 0.007 0.000 0.266 223 T C 2.176 176.833 174.700 -0.070 0.000 1.040 223 T CA 0.569 62.633 62.100 -0.060 0.000 1.141 223 T CB -0.080 68.752 68.868 -0.061 0.000 0.868 223 T HN 0.199 nan 8.240 nan 0.000 0.444 224 I N 0.463 120.936 120.570 -0.162 0.000 2.208 224 I HA -0.170 4.004 4.170 0.007 0.000 0.245 224 I C 2.086 178.231 176.117 0.045 0.000 1.097 224 I CA 1.260 62.505 61.300 -0.092 0.000 1.363 224 I CB -0.360 37.499 38.000 -0.236 0.000 1.051 224 I HN 0.153 nan 8.210 nan 0.000 0.413 225 F N 0.600 120.393 119.950 -0.262 0.000 2.095 225 F HA -0.234 4.299 4.527 0.009 0.000 0.298 225 F C 2.596 178.206 175.800 -0.317 0.000 1.104 225 F CA 1.306 59.006 58.000 -0.501 0.000 1.232 225 F CB -1.205 37.134 39.000 -1.102 0.000 0.987 225 F HN 0.041 nan 8.300 nan 0.000 0.475 226 M N -0.539 119.103 119.600 0.070 0.000 2.108 226 M HA -0.231 4.253 4.480 0.007 0.000 0.261 226 M C 2.133 178.487 176.300 0.090 0.000 1.066 226 M CA 1.634 57.039 55.300 0.175 0.000 1.107 226 M CB -0.796 31.912 32.600 0.179 0.000 1.356 226 M HN 0.114 nan 8.290 nan 0.000 0.406 227 L N -1.373 119.882 121.223 0.053 0.000 2.551 227 L HA -0.144 4.200 4.340 0.007 0.000 0.228 227 L C 1.069 177.770 176.870 -0.282 0.000 1.153 227 L CA 0.698 55.494 54.840 -0.074 0.000 0.851 227 L CB -0.560 41.419 42.059 -0.133 0.000 0.959 227 L HN 0.366 nan 8.230 nan 0.000 0.451 228 H N -1.927 117.082 119.070 -0.102 0.000 2.893 228 H HA 0.289 4.850 4.556 0.007 0.000 0.270 228 H C 1.907 177.217 175.328 -0.031 0.000 1.095 228 H CA 0.362 56.330 56.048 -0.133 0.000 1.186 228 H CB 0.458 30.052 29.762 -0.279 0.000 1.562 228 H HN 0.144 nan 8.280 nan 0.000 0.536 229 A N 0.149 122.995 122.820 0.044 0.000 1.908 229 A HA -0.098 4.226 4.320 0.007 0.000 0.218 229 A C 0.464 177.989 177.584 -0.099 0.000 1.181 229 A CA 1.928 53.952 52.037 -0.021 0.000 0.627 229 A CB 0.007 18.982 19.000 -0.042 0.000 0.818 229 A HN 0.452 nan 8.150 nan 0.000 0.445 230 D N -4.451 115.914 120.400 -0.059 0.000 2.803 230 D HA 0.390 5.034 4.640 0.007 0.000 0.218 230 D C -0.972 175.520 176.300 0.320 0.000 1.245 230 D CA -0.502 53.524 54.000 0.044 0.000 0.821 230 D CB 0.771 41.528 40.800 -0.072 0.000 1.626 230 D HN 0.208 nan 8.370 nan 0.000 0.487 231 H N 3.593 122.772 119.070 0.181 0.000 2.825 231 H HA 0.192 4.752 4.556 0.007 0.000 0.226 231 H C -0.086 175.351 175.328 0.180 0.000 1.414 231 H CA -0.234 55.942 56.048 0.213 0.000 1.198 231 H CB 0.274 30.174 29.762 0.229 0.000 2.013 231 H HN 0.647 nan 8.280 nan 0.000 0.530 232 E N 0.391 120.666 120.200 0.125 0.000 3.582 232 E HA -0.207 4.148 4.350 0.007 0.000 0.231 232 E C -0.760 175.896 176.600 0.094 0.000 1.450 232 E CA 0.709 57.143 56.400 0.057 0.000 2.201 232 E CB -0.150 29.504 29.700 -0.078 0.000 2.094 232 E HN 0.461 nan 8.360 nan 0.000 0.494 233 Q N 1.275 121.105 119.800 0.052 0.000 2.261 233 Q HA 0.488 4.832 4.340 0.007 0.000 0.252 233 Q C -0.060 175.990 176.000 0.084 0.000 0.915 233 Q CA 0.125 55.966 55.803 0.063 0.000 0.915 233 Q CB 1.056 29.803 28.738 0.016 0.000 1.204 233 Q HN 0.584 nan 8.270 nan 0.000 0.421 234 N N -1.583 117.184 118.700 0.112 0.000 3.227 234 N HA 0.401 5.145 4.740 0.007 0.000 0.241 234 N C -0.101 175.428 175.510 0.031 0.000 1.480 234 N CA -0.214 52.908 53.050 0.120 0.000 0.886 234 N CB 0.042 38.708 38.487 0.300 0.000 1.406 234 N HN 0.288 nan 8.380 nan 0.000 0.514 235 A N 0.320 123.018 122.820 -0.203 0.000 1.892 235 A HA -0.193 4.131 4.320 0.007 0.000 0.218 235 A C 2.031 179.561 177.584 -0.088 0.000 1.188 235 A CA 2.992 54.870 52.037 -0.266 0.000 0.631 235 A CB -1.562 17.103 19.000 -0.559 0.000 0.822 235 A HN 0.920 nan 8.150 nan 0.000 0.447 236 S N -1.579 114.190 115.700 0.115 0.000 2.377 236 S HA -0.108 4.366 4.470 0.007 0.000 0.223 236 S C 1.872 176.556 174.600 0.140 0.000 1.030 236 S CA 1.684 60.036 58.200 0.253 0.000 0.970 236 S CB -1.119 62.466 63.200 0.642 0.000 0.830 236 S HN 0.464 nan 8.310 nan 0.000 0.473 237 T N 2.532 117.293 114.554 0.345 0.000 2.788 237 T HA -0.015 4.339 4.350 0.007 0.000 0.268 237 T C 2.081 176.834 174.700 0.089 0.000 1.044 237 T CA 1.655 63.925 62.100 0.283 0.000 1.139 237 T CB -0.575 68.498 68.868 0.342 0.000 0.867 237 T HN 0.499 nan 8.240 nan 0.000 0.454 238 S N 0.895 116.624 115.700 0.049 0.000 2.402 238 S HA -0.077 4.398 4.470 0.007 0.000 0.229 238 S C 2.338 176.908 174.600 -0.051 0.000 1.021 238 S CA 1.056 59.243 58.200 -0.023 0.000 0.974 238 S CB -0.468 62.701 63.200 -0.053 0.000 0.800 238 S HN 0.519 nan 8.310 nan 0.000 0.484 239 T N 2.170 116.690 114.554 -0.057 0.000 2.777 239 T HA -0.046 4.308 4.350 0.007 0.000 0.266 239 T C 1.974 176.606 174.700 -0.113 0.000 1.040 239 T CA 1.097 63.147 62.100 -0.083 0.000 1.141 239 T CB -0.420 68.391 68.868 -0.095 0.000 0.868 239 T HN 0.179 nan 8.240 nan 0.000 0.444 240 V N 1.576 121.386 119.914 -0.174 0.000 2.282 240 V HA -0.249 3.875 4.120 0.007 0.000 0.249 240 V C 2.627 178.721 176.094 -0.001 0.000 1.057 240 V CA 1.805 64.009 62.300 -0.160 0.000 1.032 240 V CB -0.566 31.112 31.823 -0.242 0.000 0.645 240 V HN 0.393 nan 8.190 nan 0.000 0.447 241 R N -0.844 119.662 120.500 0.010 0.000 2.075 241 R HA -0.126 4.218 4.340 0.007 0.000 0.232 241 R C 2.213 178.509 176.300 -0.007 0.000 1.126 241 R CA 1.486 57.597 56.100 0.020 0.000 0.963 241 R CB -0.473 29.817 30.300 -0.016 0.000 0.858 241 R HN 0.390 nan 8.270 nan 0.000 0.435 242 L N 0.281 121.482 121.223 -0.037 0.000 2.072 242 L HA -0.077 4.268 4.340 0.007 0.000 0.205 242 L C 2.304 179.164 176.870 -0.016 0.000 1.079 242 L CA 1.828 56.641 54.840 -0.044 0.000 0.752 242 L CB -0.655 41.368 42.059 -0.061 0.000 0.906 242 L HN 0.029 nan 8.230 nan 0.000 0.436 243 S N -0.567 115.125 115.700 -0.015 0.000 2.368 243 S HA -0.105 4.369 4.470 0.007 0.000 0.224 243 S C 2.091 176.717 174.600 0.042 0.000 1.029 243 S CA 1.151 59.350 58.200 -0.002 0.000 0.988 243 S CB -0.906 62.275 63.200 -0.032 0.000 0.838 243 S HN 0.608 nan 8.310 nan 0.000 0.462 244 G N 0.780 109.636 108.800 0.093 0.000 2.448 244 G HA2 -0.183 3.781 3.960 0.007 0.000 0.219 244 G HA3 -0.183 3.781 3.960 0.007 0.000 0.219 244 G C 1.670 176.652 174.900 0.137 0.000 1.127 244 G CA 1.274 46.512 45.100 0.230 0.000 0.766 244 G HN 0.774 nan 8.290 nan 0.000 0.552 245 S N 0.779 116.508 115.700 0.047 0.000 2.507 245 S HA -0.130 4.344 4.470 0.007 0.000 0.235 245 S C 2.185 176.793 174.600 0.013 0.000 0.988 245 S CA 1.832 60.033 58.200 0.001 0.000 0.944 245 S CB -0.724 62.460 63.200 -0.026 0.000 0.762 245 S HN 0.492 nan 8.310 nan 0.000 0.526 246 T N -2.747 111.828 114.554 0.035 0.000 3.148 246 T HA 0.412 4.766 4.350 0.007 0.000 0.253 246 T C 1.600 176.330 174.700 0.051 0.000 1.134 246 T CA 0.691 62.811 62.100 0.034 0.000 1.051 246 T CB -0.584 68.304 68.868 0.032 0.000 0.959 246 T HN 1.260 nan 8.240 nan 0.000 0.525 247 G N 2.367 111.215 108.800 0.080 0.000 2.143 247 G HA2 -0.285 3.679 3.960 0.007 0.000 0.249 247 G HA3 -0.285 3.679 3.960 0.007 0.000 0.249 247 G C -0.002 174.978 174.900 0.134 0.000 0.981 247 G CA 0.006 45.167 45.100 0.102 0.000 0.665 247 G HN 0.998 nan 8.290 nan 0.000 0.528 248 N N 0.347 119.127 118.700 0.134 0.000 2.263 248 N HA 0.435 5.180 4.740 0.007 0.000 0.239 248 N C 0.526 176.128 175.510 0.154 0.000 1.317 248 N CA 0.394 53.514 53.050 0.117 0.000 0.909 248 N CB 0.299 38.829 38.487 0.072 0.000 1.171 248 N HN 0.452 nan 8.380 nan 0.000 0.492 249 S N -0.483 115.290 115.700 0.122 0.000 2.562 249 S HA 0.145 4.620 4.470 0.007 0.000 0.281 249 S C -1.362 173.130 174.600 -0.181 0.000 1.333 249 S CA -1.282 56.997 58.200 0.131 0.000 1.052 249 S CB 0.195 63.560 63.200 0.275 0.000 0.884 249 S HN 0.559 nan 8.310 nan 0.000 0.506 250 P HA -0.128 nan 4.420 nan 0.000 0.218 250 P C 0.635 177.429 177.300 -0.843 0.000 1.148 250 P CA 1.443 63.744 63.100 -1.332 0.000 0.822 250 P CB -0.145 30.257 31.700 -2.164 0.000 0.784 251 Y N 0.727 120.736 120.300 -0.484 0.000 2.224 251 Y HA -0.071 4.482 4.550 0.005 0.000 0.289 251 Y C 2.852 178.618 175.900 -0.224 0.000 1.146 251 Y CA 1.265 59.180 58.100 -0.309 0.000 1.182 251 Y CB -1.489 36.834 38.460 -0.228 0.000 0.983 251 Y HN -0.032 nan 8.280 nan 0.000 0.524 252 A N 0.058 122.852 122.820 -0.044 0.000 1.930 252 A HA -0.076 4.249 4.320 0.007 0.000 0.217 252 A C 2.433 179.946 177.584 -0.119 0.000 1.175 252 A CA 1.570 53.576 52.037 -0.051 0.000 0.627 252 A CB -1.142 17.852 19.000 -0.010 0.000 0.815 252 A HN 0.388 nan 8.150 nan 0.000 0.443 253 A N 0.043 122.750 122.820 -0.189 0.000 1.933 253 A HA -0.051 4.274 4.320 0.007 0.000 0.218 253 A C 2.005 179.413 177.584 -0.293 0.000 1.175 253 A CA 1.521 53.436 52.037 -0.203 0.000 0.628 253 A CB -0.466 18.417 19.000 -0.194 0.000 0.814 253 A HN 0.406 nan 8.150 nan 0.000 0.444 254 I N 0.026 120.399 120.570 -0.328 0.000 2.226 254 I HA -0.240 3.934 4.170 0.007 0.000 0.245 254 I C 2.427 178.343 176.117 -0.335 0.000 1.100 254 I CA 1.340 62.436 61.300 -0.340 0.000 1.374 254 I CB -1.154 36.736 38.000 -0.184 0.000 1.057 254 I HN 0.314 nan 8.210 nan 0.000 0.413 255 I N 1.071 121.528 120.570 -0.189 0.000 2.194 255 I HA -0.318 3.856 4.170 0.007 0.000 0.246 255 I C 2.766 178.782 176.117 -0.168 0.000 1.093 255 I CA 1.518 62.738 61.300 -0.133 0.000 1.355 255 I CB -0.426 37.536 38.000 -0.063 0.000 1.046 255 I HN 0.153 nan 8.210 nan 0.000 0.413 256 A N 0.852 123.558 122.820 -0.190 0.000 1.908 256 A HA -0.153 4.171 4.320 0.007 0.000 0.218 256 A C 2.459 179.879 177.584 -0.274 0.000 1.181 256 A CA 1.949 53.883 52.037 -0.172 0.000 0.627 256 A CB -1.502 17.410 19.000 -0.146 0.000 0.818 256 A HN 0.470 nan 8.150 nan 0.000 0.445 257 G N 0.201 108.675 108.800 -0.543 0.000 2.476 257 G HA2 -0.257 3.707 3.960 0.007 0.000 0.218 257 G HA3 -0.257 3.707 3.960 0.007 0.000 0.218 257 G C 1.524 176.022 174.900 -0.670 0.000 1.164 257 G CA 1.232 45.759 45.100 -0.956 0.000 0.768 257 G HN 0.500 nan 8.290 nan 0.000 0.560 258 I N 1.574 121.837 120.570 -0.511 0.000 2.208 258 I HA -0.226 3.948 4.170 0.007 0.000 0.245 258 I C 3.255 179.415 176.117 0.072 0.000 1.097 258 I CA 1.813 63.074 61.300 -0.064 0.000 1.363 258 I CB -0.667 37.318 38.000 -0.025 0.000 1.051 258 I HN 0.376 nan 8.210 nan 0.000 0.413 259 T N -0.615 113.975 114.554 0.059 0.000 2.759 259 T HA -0.168 4.186 4.350 0.007 0.000 0.269 259 T C 1.957 176.771 174.700 0.189 0.000 1.042 259 T CA 1.191 63.408 62.100 0.196 0.000 1.140 259 T CB -0.480 68.457 68.868 0.115 0.000 0.864 259 T HN 0.365 nan 8.240 nan 0.000 0.455 260 A N 1.188 124.073 122.820 0.108 0.000 1.897 260 A HA 0.241 4.565 4.320 0.007 0.000 0.215 260 A C 2.309 180.078 177.584 0.309 0.000 1.181 260 A CA 1.254 53.385 52.037 0.156 0.000 0.620 260 A CB -0.901 18.158 19.000 0.098 0.000 0.821 260 A HN 0.455 nan 8.150 nan 0.000 0.443 261 L N -1.563 119.838 121.223 0.297 0.000 2.131 261 L HA -0.112 4.233 4.340 0.007 0.000 0.210 261 L C 2.098 179.100 176.870 0.219 0.000 1.092 261 L CA 1.335 56.284 54.840 0.181 0.000 0.759 261 L CB -0.544 41.569 42.059 0.090 0.000 0.903 261 L HN 0.671 nan 8.230 nan 0.000 0.435 262 W N 1.018 122.345 121.300 0.045 0.000 2.364 262 W HA 0.013 4.676 4.660 0.004 0.000 0.281 262 W C 1.269 177.799 176.519 0.018 0.000 1.219 262 W CA 0.681 58.032 57.345 0.011 0.000 1.220 262 W CB -0.974 28.468 29.460 -0.029 0.000 1.127 262 W HN 0.160 nan 8.180 nan 0.000 0.556 263 G N 1.057 109.988 108.800 0.219 0.000 2.343 263 G HA2 0.140 4.105 3.960 0.007 0.000 0.254 263 G HA3 0.140 4.105 3.960 0.007 0.000 0.254 263 G C -1.824 173.168 174.900 0.155 0.000 1.277 263 G CA -0.674 44.490 45.100 0.106 0.000 0.909 263 G HN -0.001 nan 8.290 nan 0.000 0.502 264 P HA -0.105 nan 4.420 nan 0.000 0.218 264 P C 2.092 179.484 177.300 0.153 0.000 1.149 264 P CA 1.582 64.766 63.100 0.140 0.000 0.817 264 P CB 0.314 32.072 31.700 0.097 0.000 0.785 265 A N -1.653 121.248 122.820 0.135 0.000 2.070 265 A HA -0.228 4.096 4.320 0.007 0.000 0.220 265 A C 2.148 179.867 177.584 0.225 0.000 1.159 265 A CA 1.518 53.640 52.037 0.143 0.000 0.656 265 A CB -1.394 17.665 19.000 0.099 0.000 0.800 265 A HN 0.301 nan 8.150 nan 0.000 0.453 266 H N -2.427 116.715 119.070 0.120 0.000 2.393 266 H HA 0.139 4.699 4.556 0.007 0.000 0.301 266 H C 1.991 177.434 175.328 0.192 0.000 1.019 266 H CA 0.728 56.861 56.048 0.142 0.000 1.311 266 H CB 0.362 30.191 29.762 0.111 0.000 1.475 266 H HN 0.451 nan 8.280 nan 0.000 0.572 267 G N -0.906 107.945 108.800 0.085 0.000 3.020 267 G HA2 0.060 4.025 3.960 0.007 0.000 0.217 267 G HA3 0.060 4.025 3.960 0.007 0.000 0.217 267 G C 1.248 176.321 174.900 0.287 0.000 1.144 267 G CA 0.477 45.605 45.100 0.046 0.000 0.760 267 G HN 0.407 nan 8.290 nan 0.000 0.548 268 G N 0.388 109.341 108.800 0.254 0.000 3.434 268 G HA2 0.392 4.356 3.960 0.007 0.000 0.258 268 G HA3 0.392 4.356 3.960 0.007 0.000 0.258 268 G C 1.427 176.469 174.900 0.236 0.000 1.128 268 G CA 0.951 46.205 45.100 0.257 0.000 0.792 268 G HN 0.388 nan 8.290 nan 0.000 0.539 269 A N 1.483 124.445 122.820 0.237 0.000 1.902 269 A HA -0.120 4.204 4.320 0.007 0.000 0.217 269 A C 2.101 179.792 177.584 0.178 0.000 1.181 269 A CA 1.629 53.776 52.037 0.184 0.000 0.623 269 A CB -0.522 18.577 19.000 0.166 0.000 0.818 269 A HN 0.479 nan 8.150 nan 0.000 0.443 270 N N -0.881 117.936 118.700 0.195 0.000 2.104 270 N HA -0.220 4.524 4.740 0.007 0.000 0.190 270 N C 1.931 177.676 175.510 0.391 0.000 1.024 270 N CA 1.451 54.624 53.050 0.204 0.000 0.853 270 N CB -0.158 38.397 38.487 0.114 0.000 1.008 270 N HN 0.728 nan 8.380 nan 0.000 0.424 271 E N 0.801 121.244 120.200 0.405 0.000 2.106 271 E HA -0.112 4.242 4.350 0.007 0.000 0.192 271 E C 1.916 178.608 176.600 0.154 0.000 0.984 271 E CA 0.789 57.338 56.400 0.249 0.000 0.806 271 E CB 0.017 29.812 29.700 0.158 0.000 0.750 271 E HN 0.351 nan 8.360 nan 0.000 0.458 272 A N 0.335 123.250 122.820 0.157 0.000 1.969 272 A HA -0.104 4.220 4.320 0.007 0.000 0.218 272 A C 2.314 179.968 177.584 0.116 0.000 1.169 272 A CA 1.080 53.189 52.037 0.119 0.000 0.635 272 A CB -0.396 18.674 19.000 0.117 0.000 0.810 272 A HN 0.214 nan 8.150 nan 0.000 0.445 273 V N 0.046 120.042 119.914 0.137 0.000 2.358 273 V HA -0.195 3.929 4.120 0.007 0.000 0.246 273 V C 2.473 178.632 176.094 0.107 0.000 1.047 273 V CA 1.461 63.842 62.300 0.134 0.000 1.035 273 V CB -0.570 31.321 31.823 0.113 0.000 0.658 273 V HN 0.507 nan 8.190 nan 0.000 0.452 274 L N -0.290 121.004 121.223 0.117 0.000 2.141 274 L HA -0.120 4.225 4.340 0.007 0.000 0.209 274 L C 2.449 179.340 176.870 0.034 0.000 1.094 274 L CA 1.792 56.678 54.840 0.077 0.000 0.763 274 L CB -1.028 41.086 42.059 0.092 0.000 0.908 274 L HN 0.380 nan 8.230 nan 0.000 0.437 275 K N -0.597 119.825 120.400 0.037 0.000 2.103 275 K HA -0.227 4.098 4.320 0.007 0.000 0.207 275 K C 2.058 178.662 176.600 0.007 0.000 1.048 275 K CA 1.485 57.783 56.287 0.019 0.000 0.930 275 K CB -0.038 32.482 32.500 0.033 0.000 0.716 275 K HN 0.258 nan 8.250 nan 0.000 0.444 276 M N 0.795 120.412 119.600 0.027 0.000 2.123 276 M HA -0.135 4.349 4.480 0.007 0.000 0.263 276 M C 1.816 178.094 176.300 -0.037 0.000 1.069 276 M CA 1.397 56.699 55.300 0.003 0.000 1.133 276 M CB -0.014 32.623 32.600 0.063 0.000 1.356 276 M HN 0.070 nan 8.290 nan 0.000 0.415 277 L N -0.279 120.951 121.223 0.012 0.000 2.042 277 L HA -0.210 4.134 4.340 0.007 0.000 0.210 277 L C 2.775 179.619 176.870 -0.044 0.000 1.076 277 L CA 1.601 56.441 54.840 -0.000 0.000 0.749 277 L CB -0.979 41.096 42.059 0.026 0.000 0.893 277 L HN 0.462 nan 8.230 nan 0.000 0.432 278 S N -0.368 115.309 115.700 -0.038 0.000 2.368 278 S HA -0.247 4.227 4.470 0.007 0.000 0.225 278 S C 1.964 176.512 174.600 -0.088 0.000 1.030 278 S CA 1.414 59.587 58.200 -0.046 0.000 0.999 278 S CB -0.221 62.963 63.200 -0.027 0.000 0.844 278 S HN 0.429 nan 8.310 nan 0.000 0.459 279 E N 0.490 120.616 120.200 -0.123 0.000 2.265 279 E HA -0.133 4.221 4.350 0.007 0.000 0.196 279 E C 1.921 178.264 176.600 -0.428 0.000 0.996 279 E CA 1.363 57.650 56.400 -0.189 0.000 0.832 279 E CB -0.192 29.412 29.700 -0.159 0.000 0.756 279 E HN 0.883 nan 8.360 nan 0.000 0.491 280 I N -4.570 115.712 120.570 -0.480 0.000 2.628 280 I HA 0.249 4.424 4.170 0.007 0.000 0.255 280 I C 1.690 177.702 176.117 -0.176 0.000 1.119 280 I CA 1.101 62.024 61.300 -0.629 0.000 1.448 280 I CB 0.455 38.160 38.000 -0.492 0.000 1.133 280 I HN 0.139 nan 8.210 nan 0.000 0.438 281 G N 0.939 109.680 108.800 -0.099 0.000 3.211 281 G HA2 -0.249 3.715 3.960 0.007 0.000 0.206 281 G HA3 -0.249 3.715 3.960 0.007 0.000 0.206 281 G C 0.418 175.318 174.900 0.000 0.000 1.418 281 G CA 0.243 45.328 45.100 -0.025 0.000 0.958 281 G HN 0.864 nan 8.290 nan 0.000 0.567 282 S N -2.484 113.226 115.700 0.017 0.000 2.655 282 S HA 0.533 5.007 4.470 0.007 0.000 0.266 282 S C 1.053 175.679 174.600 0.043 0.000 1.149 282 S CA 1.105 59.322 58.200 0.029 0.000 0.818 282 S CB 0.642 63.860 63.200 0.030 0.000 1.130 282 S HN 1.617 nan 8.310 nan 0.000 0.476 283 T N 1.298 115.878 114.554 0.043 0.000 2.656 283 T HA -0.266 4.089 4.350 0.007 0.000 0.262 283 T C 1.296 176.028 174.700 0.054 0.000 1.070 283 T CA 3.070 65.199 62.100 0.048 0.000 1.160 283 T CB -1.040 67.854 68.868 0.043 0.000 0.855 283 T HN 0.685 nan 8.240 nan 0.000 0.456 284 E N 0.658 120.890 120.200 0.054 0.000 2.097 284 E HA -0.164 4.191 4.350 0.007 0.000 0.196 284 E C 1.954 178.602 176.600 0.079 0.000 1.000 284 E CA 1.714 58.148 56.400 0.056 0.000 0.804 284 E CB -0.299 29.432 29.700 0.051 0.000 0.740 284 E HN 0.630 nan 8.360 nan 0.000 0.454 285 N N 0.390 119.160 118.700 0.116 0.000 2.521 285 N HA -0.028 4.717 4.740 0.007 0.000 0.188 285 N C 1.200 176.855 175.510 0.242 0.000 1.146 285 N CA 0.268 53.446 53.050 0.214 0.000 0.893 285 N CB 0.062 38.750 38.487 0.334 0.000 0.975 285 N HN 0.114 nan 8.380 nan 0.000 0.451 286 I N 1.422 122.072 120.570 0.134 0.000 2.044 286 I HA -0.306 3.869 4.170 0.007 0.000 0.234 286 I C 1.635 177.809 176.117 0.095 0.000 1.031 286 I CA 1.590 62.952 61.300 0.104 0.000 1.305 286 I CB -1.004 37.031 38.000 0.058 0.000 1.026 286 I HN 0.222 nan 8.210 nan 0.000 0.392 287 D N 0.625 121.057 120.400 0.053 0.000 2.116 287 D HA -0.251 4.393 4.640 0.007 0.000 0.193 287 D C 2.069 178.373 176.300 0.006 0.000 0.998 287 D CA 1.738 55.751 54.000 0.021 0.000 0.836 287 D CB -0.190 40.614 40.800 0.008 0.000 0.951 287 D HN 0.254 nan 8.370 nan 0.000 0.449 288 K N 0.237 120.640 120.400 0.004 0.000 2.077 288 K HA -0.224 4.101 4.320 0.007 0.000 0.213 288 K C 1.988 178.462 176.600 -0.210 0.000 1.051 288 K CA 1.488 57.706 56.287 -0.116 0.000 0.929 288 K CB -0.488 31.934 32.500 -0.130 0.000 0.715 288 K HN 0.257 nan 8.250 nan 0.000 0.451 289 Y N -0.416 119.878 120.300 -0.009 0.000 2.436 289 Y HA 0.210 4.765 4.550 0.007 0.000 0.288 289 Y C 1.928 177.812 175.900 -0.028 0.000 1.112 289 Y CA 0.480 58.573 58.100 -0.011 0.000 1.220 289 Y CB 0.032 38.491 38.460 -0.001 0.000 1.073 289 Y HN -0.049 nan 8.280 nan 0.000 0.552 290 I N 0.158 120.786 120.570 0.097 0.000 2.065 290 I HA -0.455 3.719 4.170 0.007 0.000 0.236 290 I C 2.584 178.695 176.117 -0.010 0.000 1.028 290 I CA 1.771 63.075 61.300 0.008 0.000 1.299 290 I CB -0.722 37.265 38.000 -0.022 0.000 1.015 290 I HN 0.231 nan 8.210 nan 0.000 0.396 291 A N 0.162 122.970 122.820 -0.020 0.000 1.978 291 A HA -0.230 4.094 4.320 0.007 0.000 0.220 291 A C 2.287 179.852 177.584 -0.032 0.000 1.170 291 A CA 1.635 53.653 52.037 -0.032 0.000 0.636 291 A CB -0.504 18.473 19.000 -0.038 0.000 0.810 291 A HN 0.386 nan 8.150 nan 0.000 0.448 292 K N -0.498 119.879 120.400 -0.037 0.000 1.991 292 K HA -0.130 4.194 4.320 0.007 0.000 0.212 292 K C 2.253 178.852 176.600 -0.001 0.000 1.049 292 K CA 1.373 57.638 56.287 -0.036 0.000 0.932 292 K CB -0.365 32.099 32.500 -0.059 0.000 0.717 292 K HN 0.439 nan 8.250 nan 0.000 0.441 293 A N 1.620 124.454 122.820 0.023 0.000 2.121 293 A HA -0.131 4.193 4.320 0.007 0.000 0.218 293 A C 1.791 179.373 177.584 -0.003 0.000 1.154 293 A CA 1.158 53.207 52.037 0.020 0.000 0.679 293 A CB -0.215 18.801 19.000 0.026 0.000 0.795 293 A HN 0.212 nan 8.150 nan 0.000 0.458 294 K N -0.580 119.811 120.400 -0.014 0.000 2.097 294 K HA -0.108 4.217 4.320 0.007 0.000 0.206 294 K C 0.117 176.708 176.600 -0.014 0.000 1.049 294 K CA 1.233 57.507 56.287 -0.021 0.000 0.933 294 K CB 0.001 32.485 32.500 -0.027 0.000 0.717 294 K HN 0.273 nan 8.250 nan 0.000 0.442 295 D N 1.153 121.546 120.400 -0.012 0.000 3.068 295 D HA 0.095 4.739 4.640 0.007 0.000 0.327 295 D C -0.717 175.579 176.300 -0.006 0.000 1.361 295 D CA -0.166 53.828 54.000 -0.010 0.000 0.877 295 D CB 0.192 40.984 40.800 -0.014 0.000 1.088 295 D HN -0.085 nan 8.370 nan 0.000 0.489 303 M N 2.376 122.095 119.600 0.198 0.000 2.393 303 M HA 0.714 5.199 4.480 0.007 0.000 0.299 303 M C 0.668 177.110 176.300 0.236 0.000 1.103 303 M CA 0.472 55.883 55.300 0.186 0.000 0.910 303 M CB 2.013 34.702 32.600 0.148 0.000 1.659 303 M HN 0.761 nan 8.290 nan 0.000 0.445 304 G N 1.873 110.725 108.800 0.087 0.000 2.137 304 G HA2 -0.216 3.748 3.960 0.007 0.000 0.237 304 G HA3 -0.216 3.748 3.960 0.007 0.000 0.237 304 G C -0.689 173.858 174.900 -0.588 0.000 1.002 304 G CA -0.288 44.739 45.100 -0.121 0.000 0.702 304 G HN 0.529 nan 8.290 nan 0.000 0.515 305 F N 0.189 120.035 119.950 -0.173 0.000 2.547 305 F HA 0.628 5.159 4.527 0.007 0.000 0.316 305 F C 0.900 176.452 175.800 -0.412 0.000 1.121 305 F CA 0.080 57.887 58.000 -0.321 0.000 0.911 305 F CB 2.028 40.859 39.000 -0.281 0.000 1.179 305 F HN 0.953 nan 8.300 nan 0.000 0.443 306 G N 1.818 110.190 108.800 -0.714 0.000 2.888 306 G HA2 -0.082 3.882 3.960 0.007 0.000 0.441 306 G HA3 -0.082 3.882 3.960 0.007 0.000 0.441 306 G C -1.656 172.970 174.900 -0.456 0.000 1.461 306 G CA -0.443 44.075 45.100 -0.970 0.000 0.897 306 G HN 1.107 nan 8.290 nan 0.000 0.547 307 H N -0.837 118.141 119.070 -0.154 0.000 3.046 307 H HA 0.599 5.160 4.556 0.007 0.000 0.363 307 H C 1.446 176.871 175.328 0.162 0.000 1.203 307 H CA -0.718 55.417 56.048 0.145 0.000 1.169 307 H CB 1.076 31.105 29.762 0.444 0.000 1.851 307 H HN 0.463 nan 8.280 nan 0.000 0.546 308 R N 1.982 122.384 120.500 -0.163 0.000 2.092 308 R HA -0.051 4.294 4.340 0.007 0.000 0.231 308 R C 0.948 177.334 176.300 0.143 0.000 1.119 308 R CA 1.633 57.724 56.100 -0.015 0.000 0.970 308 R CB 0.122 30.357 30.300 -0.108 0.000 0.864 308 R HN 0.343 nan 8.270 nan 0.000 0.440 309 V N -0.827 119.312 119.914 0.374 0.000 2.627 309 V HA -0.051 4.074 4.120 0.007 0.000 0.239 309 V C 0.414 176.541 176.094 0.055 0.000 1.077 309 V CA 0.611 62.992 62.300 0.136 0.000 1.103 309 V CB -0.213 31.581 31.823 -0.048 0.000 0.802 309 V HN 0.106 nan 8.190 nan 0.000 0.482 310 Y N 3.221 123.697 120.300 0.293 0.000 2.603 310 Y HA 0.130 4.685 4.550 0.007 0.000 0.341 310 Y C 1.760 177.804 175.900 0.240 0.000 1.272 310 Y CA -0.562 57.598 58.100 0.100 0.000 1.891 310 Y CB -0.773 37.618 38.460 -0.114 0.000 1.910 310 Y HN 0.362 nan 8.280 nan 0.000 0.432 311 K N -0.918 119.658 120.400 0.294 0.000 2.097 311 K HA -0.193 4.131 4.320 0.007 0.000 0.206 311 K C 0.817 177.606 176.600 0.316 0.000 1.049 311 K CA 1.951 58.416 56.287 0.296 0.000 0.933 311 K CB 0.039 32.645 32.500 0.175 0.000 0.717 311 K HN 0.273 nan 8.250 nan 0.000 0.442 312 N N -0.279 118.509 118.700 0.146 0.000 2.432 312 N HA 0.008 4.753 4.740 0.007 0.000 0.174 312 N C -0.311 175.013 175.510 -0.310 0.000 1.037 312 N CA 0.867 53.934 53.050 0.028 0.000 0.892 312 N CB 1.159 39.653 38.487 0.011 0.000 1.049 312 N HN 0.279 nan 8.380 nan 0.000 0.442 313 T N -0.719 113.554 114.554 -0.468 0.000 3.087 313 T HA 0.100 4.454 4.350 0.007 0.000 0.351 313 T C -2.463 171.879 174.700 -0.597 0.000 1.520 313 T CA -0.811 60.774 62.100 -0.858 0.000 1.111 313 T CB 1.229 69.827 68.868 -0.451 0.000 1.353 313 T HN -0.113 nan 8.240 nan 0.000 0.481 314 D N 4.615 124.614 120.400 -0.669 0.000 2.373 314 D HA 0.376 5.020 4.640 0.007 0.000 0.227 314 D C -1.224 174.778 176.300 -0.498 0.000 1.091 314 D CA -2.298 51.342 54.000 -0.600 0.000 0.840 314 D CB 2.076 42.718 40.800 -0.263 0.000 1.060 314 D HN 0.264 nan 8.370 nan 0.000 0.502 315 P HA -0.133 nan 4.420 nan 0.000 0.219 315 P C 1.136 178.288 177.300 -0.247 0.000 1.146 315 P CA 0.782 63.692 63.100 -0.317 0.000 0.808 315 P CB 0.517 32.058 31.700 -0.265 0.000 0.779 316 R N 0.044 120.358 120.500 -0.309 0.000 2.096 316 R HA -0.037 4.308 4.340 0.007 0.000 0.235 316 R C 2.527 178.745 176.300 -0.136 0.000 1.127 316 R CA 1.519 57.496 56.100 -0.205 0.000 0.968 316 R CB -0.968 29.177 30.300 -0.257 0.000 0.861 316 R HN 0.165 nan 8.270 nan 0.000 0.440 317 A N 0.406 123.164 122.820 -0.105 0.000 1.898 317 A HA -0.118 4.207 4.320 0.007 0.000 0.216 317 A C 2.141 179.700 177.584 -0.041 0.000 1.181 317 A CA 1.734 53.797 52.037 0.042 0.000 0.620 317 A CB -0.740 18.373 19.000 0.189 0.000 0.819 317 A HN 0.251 nan 8.150 nan 0.000 0.442 318 T N 0.558 115.059 114.554 -0.088 0.000 2.720 318 T HA -0.082 4.272 4.350 0.007 0.000 0.268 318 T C 2.179 176.806 174.700 -0.121 0.000 1.037 318 T CA 1.641 63.679 62.100 -0.104 0.000 1.144 318 T CB -0.457 68.346 68.868 -0.108 0.000 0.864 318 T HN 0.595 nan 8.240 nan 0.000 0.444 319 A N 1.378 124.133 122.820 -0.108 0.000 1.933 319 A HA -0.029 4.296 4.320 0.007 0.000 0.218 319 A C 2.360 179.875 177.584 -0.116 0.000 1.175 319 A CA 1.259 53.245 52.037 -0.085 0.000 0.628 319 A CB -0.553 18.417 19.000 -0.050 0.000 0.814 319 A HN 0.355 nan 8.150 nan 0.000 0.444 320 M N -0.645 118.861 119.600 -0.157 0.000 2.123 320 M HA -0.109 4.376 4.480 0.007 0.000 0.263 320 M C 2.093 178.189 176.300 -0.339 0.000 1.069 320 M CA 1.421 56.594 55.300 -0.211 0.000 1.133 320 M CB -0.688 31.802 32.600 -0.182 0.000 1.356 320 M HN 0.400 nan 8.290 nan 0.000 0.415 321 K N 0.323 120.421 120.400 -0.503 0.000 2.044 321 K HA -0.236 4.088 4.320 0.007 0.000 0.210 321 K C 2.072 178.525 176.600 -0.246 0.000 1.049 321 K CA 1.585 57.569 56.287 -0.505 0.000 0.927 321 K CB -0.316 31.945 32.500 -0.398 0.000 0.713 321 K HN 0.283 nan 8.250 nan 0.000 0.443 322 K N 0.869 121.165 120.400 -0.173 0.000 2.002 322 K HA -0.152 4.172 4.320 0.007 0.000 0.209 322 K C 1.715 178.261 176.600 -0.089 0.000 1.048 322 K CA 1.731 57.955 56.287 -0.105 0.000 0.930 322 K CB -0.006 32.447 32.500 -0.078 0.000 0.714 322 K HN 0.016 nan 8.250 nan 0.000 0.438 323 N N -0.184 118.460 118.700 -0.093 0.000 2.354 323 N HA -0.047 4.697 4.740 0.007 0.000 0.179 323 N C 0.610 176.074 175.510 -0.077 0.000 1.021 323 N CA 0.806 53.814 53.050 -0.070 0.000 0.887 323 N CB 0.111 38.564 38.487 -0.057 0.000 0.974 323 N HN 0.213 nan 8.380 nan 0.000 0.437 324 C N 0.086 119.321 119.300 -0.108 0.000 2.760 324 C HA 0.243 4.707 4.460 0.007 0.000 0.293 324 C C 2.030 176.969 174.990 -0.086 0.000 1.383 324 C CA -1.145 57.815 59.018 -0.097 0.000 1.771 324 C CB -1.195 26.475 27.740 -0.117 0.000 2.353 324 C HN 0.461 nan 8.230 nan 0.000 0.578 325 E N 2.154 122.307 120.200 -0.079 0.000 2.086 325 E HA -0.305 4.049 4.350 0.007 0.000 0.200 325 E C 2.038 178.619 176.600 -0.031 0.000 1.012 325 E CA 1.896 58.262 56.400 -0.057 0.000 0.812 325 E CB -0.017 29.655 29.700 -0.045 0.000 0.743 325 E HN 0.755 nan 8.360 nan 0.000 0.453 326 E N 0.020 120.206 120.200 -0.024 0.000 2.051 326 E HA -0.190 4.164 4.350 0.007 0.000 0.192 326 E C 2.176 178.772 176.600 -0.007 0.000 0.991 326 E CA 1.441 57.836 56.400 -0.009 0.000 0.799 326 E CB -0.113 29.583 29.700 -0.005 0.000 0.748 326 E HN 0.405 nan 8.360 nan 0.000 0.449 327 I N 0.796 121.358 120.570 -0.014 0.000 2.252 327 I HA -0.262 3.912 4.170 0.007 0.000 0.245 327 I C 2.363 178.461 176.117 -0.032 0.000 1.102 327 I CA 0.710 61.999 61.300 -0.017 0.000 1.385 327 I CB -0.179 37.802 38.000 -0.032 0.000 1.064 327 I HN 0.231 nan 8.210 nan 0.000 0.414 328 L N 0.611 121.819 121.223 -0.026 0.000 2.083 328 L HA -0.215 4.129 4.340 0.007 0.000 0.209 328 L C 2.867 179.740 176.870 0.005 0.000 1.083 328 L CA 1.334 56.174 54.840 0.001 0.000 0.752 328 L CB -0.701 41.365 42.059 0.012 0.000 0.899 328 L HN 0.250 nan 8.230 nan 0.000 0.433 329 A N -0.429 122.392 122.820 0.001 0.000 1.933 329 A HA -0.187 4.138 4.320 0.007 0.000 0.218 329 A C 2.235 179.805 177.584 -0.024 0.000 1.175 329 A CA 1.408 53.452 52.037 0.013 0.000 0.628 329 A CB -0.258 18.757 19.000 0.026 0.000 0.814 329 A HN 0.177 nan 8.150 nan 0.000 0.444 330 K N -0.056 120.301 120.400 -0.073 0.000 2.288 330 K HA 0.084 4.408 4.320 0.007 0.000 0.201 330 K C 1.678 178.047 176.600 -0.385 0.000 1.048 330 K CA 0.537 56.684 56.287 -0.233 0.000 0.956 330 K CB -0.531 31.889 32.500 -0.134 0.000 0.746 330 K HN 0.586 nan 8.250 nan 0.000 0.461 331 L N -0.105 121.009 121.223 -0.182 0.000 2.187 331 L HA -0.136 4.208 4.340 0.007 0.000 0.213 331 L C 2.317 179.112 176.870 -0.125 0.000 1.100 331 L CA 1.246 56.005 54.840 -0.135 0.000 0.765 331 L CB -0.999 41.029 42.059 -0.052 0.000 0.904 331 L HN 0.235 nan 8.230 nan 0.000 0.437 332 G N 0.298 109.034 108.800 -0.106 0.000 2.491 332 G HA2 -0.268 3.696 3.960 0.007 0.000 0.218 332 G HA3 -0.268 3.696 3.960 0.007 0.000 0.218 332 G C 1.074 175.979 174.900 0.009 0.000 1.180 332 G CA 0.932 46.025 45.100 -0.011 0.000 0.774 332 G HN 0.670 nan 8.290 nan 0.000 0.562 333 H N -0.569 118.515 119.070 0.023 0.000 2.591 333 H HA 0.497 5.057 4.556 0.007 0.000 0.302 333 H C -0.036 175.300 175.328 0.015 0.000 1.163 333 H CA 0.046 56.104 56.048 0.018 0.000 1.049 333 H CB -0.318 29.453 29.762 0.015 0.000 1.543 333 H HN 0.136 nan 8.280 nan 0.000 0.523 334 S N 0.552 116.210 115.700 -0.070 0.000 2.565 334 S HA 0.019 4.494 4.470 0.007 0.000 0.274 334 S C 0.862 175.468 174.600 0.010 0.000 1.309 334 S CA -0.558 57.612 58.200 -0.050 0.000 1.043 334 S CB 0.925 64.082 63.200 -0.070 0.000 0.939 334 S HN 0.389 nan 8.310 nan 0.000 0.504 335 D N 2.135 122.545 120.400 0.018 0.000 2.310 335 D HA -0.050 4.594 4.640 0.007 0.000 0.212 335 D C 0.276 176.583 176.300 0.012 0.000 0.965 335 D CA 0.737 54.750 54.000 0.022 0.000 0.879 335 D CB -0.171 40.641 40.800 0.021 0.000 0.921 335 D HN 0.473 nan 8.370 nan 0.000 0.510 336 N N 0.907 119.608 118.700 0.002 0.000 2.406 336 N HA 0.063 4.807 4.740 0.007 0.000 0.251 336 N C -1.935 173.577 175.510 0.003 0.000 1.069 336 N CA -1.799 51.252 53.050 0.001 0.000 0.947 336 N CB 1.877 40.361 38.487 -0.005 0.000 1.111 336 N HN -0.209 nan 8.380 nan 0.000 0.497 337 P HA -0.106 nan 4.420 nan 0.000 0.216 337 P C 1.503 178.810 177.300 0.011 0.000 1.150 337 P CA 0.571 63.679 63.100 0.013 0.000 0.837 337 P CB 0.391 32.100 31.700 0.015 0.000 0.786 338 L N -1.357 119.870 121.223 0.005 0.000 2.081 338 L HA -0.178 4.166 4.340 0.007 0.000 0.212 338 L C 2.334 179.203 176.870 -0.002 0.000 1.080 338 L CA 1.757 56.599 54.840 0.003 0.000 0.754 338 L CB -1.304 40.755 42.059 -0.000 0.000 0.893 338 L HN -0.045 nan 8.230 nan 0.000 0.433 339 L N -1.653 119.564 121.223 -0.011 0.000 2.179 339 L HA -0.143 4.202 4.340 0.007 0.000 0.208 339 L C 2.516 179.384 176.870 -0.004 0.000 1.096 339 L CA 1.423 56.247 54.840 -0.026 0.000 0.779 339 L CB -0.988 41.046 42.059 -0.042 0.000 0.922 339 L HN 0.439 nan 8.230 nan 0.000 0.443 340 T N -3.127 111.432 114.554 0.008 0.000 2.777 340 T HA -0.109 4.245 4.350 0.007 0.000 0.266 340 T C 1.852 176.581 174.700 0.049 0.000 1.040 340 T CA 1.042 63.157 62.100 0.026 0.000 1.141 340 T CB -0.716 68.169 68.868 0.029 0.000 0.868 340 T HN 0.049 nan 8.240 nan 0.000 0.444 341 V N 2.541 122.484 119.914 0.048 0.000 2.255 341 V HA -0.131 3.993 4.120 0.007 0.000 0.247 341 V C 3.300 179.464 176.094 0.116 0.000 1.051 341 V CA 1.866 64.207 62.300 0.068 0.000 1.018 341 V CB -1.506 30.347 31.823 0.051 0.000 0.641 341 V HN 0.698 nan 8.190 nan 0.000 0.445 342 A N -0.182 122.704 122.820 0.109 0.000 1.972 342 A HA -0.266 4.059 4.320 0.007 0.000 0.219 342 A C 2.205 179.955 177.584 0.275 0.000 1.169 342 A CA 2.248 54.403 52.037 0.196 0.000 0.635 342 A CB -0.488 18.476 19.000 -0.059 0.000 0.810 342 A HN 0.486 nan 8.150 nan 0.000 0.446 343 K N 0.992 121.483 120.400 0.151 0.000 2.057 343 K HA -0.154 4.170 4.320 0.007 0.000 0.207 343 K C 1.948 178.643 176.600 0.157 0.000 1.049 343 K CA 2.107 58.483 56.287 0.149 0.000 0.931 343 K CB -0.210 32.338 32.500 0.081 0.000 0.714 343 K HN 0.643 nan 8.250 nan 0.000 0.440 344 K N -0.128 120.350 120.400 0.130 0.000 2.262 344 K HA 0.004 4.328 4.320 0.007 0.000 0.200 344 K C 2.166 178.828 176.600 0.104 0.000 1.049 344 K CA 0.722 57.070 56.287 0.102 0.000 0.979 344 K CB -0.357 32.189 32.500 0.075 0.000 0.773 344 K HN 0.138 nan 8.250 nan 0.000 0.474 345 L N 2.016 123.328 121.223 0.149 0.000 2.083 345 L HA -0.136 4.208 4.340 0.007 0.000 0.209 345 L C 2.733 179.670 176.870 0.112 0.000 1.083 345 L CA 1.520 56.437 54.840 0.128 0.000 0.752 345 L CB -0.181 42.025 42.059 0.245 0.000 0.899 345 L HN 0.407 nan 8.230 nan 0.000 0.433 346 E N -0.371 119.956 120.200 0.213 0.000 2.077 346 E HA -0.270 4.084 4.350 0.007 0.000 0.193 346 E C 1.892 178.557 176.600 0.108 0.000 0.989 346 E CA 1.174 57.661 56.400 0.145 0.000 0.800 346 E CB 0.115 29.987 29.700 0.287 0.000 0.746 346 E HN 0.414 nan 8.360 nan 0.000 0.452 347 E N 0.416 120.677 120.200 0.102 0.000 2.072 347 E HA -0.141 4.213 4.350 0.007 0.000 0.191 347 E C 2.100 178.722 176.600 0.036 0.000 0.985 347 E CA 0.567 57.011 56.400 0.073 0.000 0.801 347 E CB -0.168 29.574 29.700 0.070 0.000 0.750 347 E HN 0.308 nan 8.360 nan 0.000 0.452 348 I N 1.227 121.802 120.570 0.007 0.000 2.361 348 I HA -0.233 3.942 4.170 0.007 0.000 0.251 348 I C 2.280 178.361 176.117 -0.060 0.000 1.133 348 I CA 1.154 62.433 61.300 -0.035 0.000 1.413 348 I CB -0.631 37.328 38.000 -0.069 0.000 1.073 348 I HN -0.017 nan 8.210 nan 0.000 0.424 349 A N -0.275 122.506 122.820 -0.066 0.000 1.972 349 A HA -0.053 4.271 4.320 0.007 0.000 0.219 349 A C 1.350 178.956 177.584 0.037 0.000 1.169 349 A CA 1.052 53.067 52.037 -0.037 0.000 0.635 349 A CB -0.546 18.523 19.000 0.116 0.000 0.810 349 A HN 0.221 nan 8.150 nan 0.000 0.446 358 R N 1.157 121.678 120.500 0.036 0.000 2.507 358 R HA 0.309 4.653 4.340 0.007 0.000 0.298 358 R C -0.556 175.781 176.300 0.062 0.000 0.999 358 R CA -0.310 55.811 56.100 0.035 0.000 1.082 358 R CB 0.219 30.523 30.300 0.007 0.000 1.246 358 R HN 0.284 nan 8.270 nan 0.000 0.553 359 K N 0.575 121.040 120.400 0.109 0.000 3.192 359 K HA -0.157 4.168 4.320 0.007 0.000 0.278 359 K C -0.269 176.410 176.600 0.131 0.000 1.164 359 K CA 0.685 57.097 56.287 0.208 0.000 0.816 359 K CB -2.268 30.366 32.500 0.224 0.000 1.256 359 K HN 0.360 nan 8.250 nan 0.000 0.497 360 L N 2.021 123.278 121.223 0.055 0.000 2.536 360 L HA 0.263 4.607 4.340 0.007 0.000 0.242 360 L C 0.631 177.545 176.870 0.072 0.000 1.280 360 L CA -0.839 53.979 54.840 -0.036 0.000 1.221 360 L CB -0.710 41.326 42.059 -0.038 0.000 1.449 360 L HN 0.068 nan 8.230 nan 0.000 0.405 361 F N -1.539 118.496 119.950 0.142 0.000 2.443 361 F HA 0.357 4.888 4.527 0.007 0.000 0.353 361 F C 0.999 176.797 175.800 -0.005 0.000 1.101 361 F CA -0.913 57.145 58.000 0.098 0.000 1.226 361 F CB 0.034 39.075 39.000 0.068 0.000 1.140 361 F HN 0.017 nan 8.300 nan 0.000 0.557 362 S N 3.183 118.859 115.700 -0.040 0.000 2.596 362 S HA 0.007 4.482 4.470 0.007 0.000 0.298 362 S C 0.198 174.664 174.600 -0.223 0.000 1.255 362 S CA -0.403 57.378 58.200 -0.698 0.000 1.083 362 S CB -0.642 62.084 63.200 -0.790 0.000 0.837 362 S HN 0.821 nan 8.310 nan 0.000 0.499 363 N N 1.168 119.675 118.700 -0.321 0.000 2.604 363 N HA 0.261 5.005 4.740 0.007 0.000 0.297 363 N C 0.829 176.400 175.510 0.102 0.000 1.266 363 N CA -0.974 52.113 53.050 0.061 0.000 0.961 363 N CB -0.138 38.371 38.487 0.036 0.000 1.166 363 N HN 0.200 nan 8.380 nan 0.000 0.601 364 V N -0.228 119.762 119.914 0.126 0.000 2.626 364 V HA -0.154 3.970 4.120 0.007 0.000 0.252 364 V C 0.761 176.884 176.094 0.048 0.000 1.067 364 V CA 1.912 64.259 62.300 0.078 0.000 1.081 364 V CB -0.802 30.976 31.823 -0.077 0.000 0.686 364 V HN 0.572 nan 8.190 nan 0.000 0.468 365 D N -0.729 119.692 120.400 0.035 0.000 2.162 365 D HA -0.121 4.523 4.640 0.007 0.000 0.203 365 D C 1.825 178.116 176.300 -0.017 0.000 0.967 365 D CA 1.144 55.154 54.000 0.018 0.000 0.840 365 D CB -0.195 40.637 40.800 0.052 0.000 0.972 365 D HN 0.546 nan 8.370 nan 0.000 0.482 366 F N 1.268 121.075 119.950 -0.238 0.000 2.051 366 F HA -0.284 4.247 4.527 0.007 0.000 0.296 366 F C 2.147 177.775 175.800 -0.288 0.000 1.122 366 F CA 1.474 59.254 58.000 -0.367 0.000 1.201 366 F CB -0.499 38.060 39.000 -0.735 0.000 0.978 366 F HN -0.138 nan 8.300 nan 0.000 0.472 367 Y N 0.609 120.886 120.300 -0.037 0.000 2.181 367 Y HA -0.220 4.335 4.550 0.007 0.000 0.288 367 Y C 3.084 178.861 175.900 -0.206 0.000 1.146 367 Y CA 1.541 59.563 58.100 -0.130 0.000 1.164 367 Y CB -1.417 37.031 38.460 -0.020 0.000 0.982 367 Y HN 0.258 nan 8.280 nan 0.000 0.515 368 S N -0.830 114.853 115.700 -0.028 0.000 2.371 368 S HA -0.081 4.393 4.470 0.007 0.000 0.224 368 S C 2.423 176.816 174.600 -0.345 0.000 1.029 368 S CA 0.982 59.090 58.200 -0.153 0.000 0.978 368 S CB -1.179 61.963 63.200 -0.097 0.000 0.833 368 S HN 0.406 nan 8.310 nan 0.000 0.466 369 G N 2.956 111.554 108.800 -0.337 0.000 2.421 369 G HA2 -0.135 3.829 3.960 0.007 0.000 0.216 369 G HA3 -0.135 3.829 3.960 0.007 0.000 0.216 369 G C 1.559 176.277 174.900 -0.302 0.000 1.171 369 G CA 1.105 45.964 45.100 -0.402 0.000 0.775 369 G HN 0.789 nan 8.290 nan 0.000 0.543 370 I N -1.614 118.767 120.570 -0.314 0.000 2.439 370 I HA 0.062 4.237 4.170 0.007 0.000 0.251 370 I C 2.505 178.507 176.117 -0.192 0.000 1.139 370 I CA 0.849 61.990 61.300 -0.265 0.000 1.438 370 I CB -0.284 37.462 38.000 -0.424 0.000 1.085 370 I HN 0.099 nan 8.210 nan 0.000 0.427 371 I N 1.194 121.645 120.570 -0.199 0.000 2.233 371 I HA -0.212 3.962 4.170 0.007 0.000 0.243 371 I C 2.647 178.631 176.117 -0.222 0.000 1.093 371 I CA 1.320 62.510 61.300 -0.183 0.000 1.380 371 I CB -0.304 37.602 38.000 -0.157 0.000 1.067 371 I HN 0.245 nan 8.210 nan 0.000 0.413 372 L N 0.748 121.801 121.223 -0.284 0.000 2.013 372 L HA -0.272 4.073 4.340 0.007 0.000 0.212 372 L C 2.640 179.461 176.870 -0.081 0.000 1.073 372 L CA 1.609 56.292 54.840 -0.261 0.000 0.753 372 L CB -0.623 41.094 42.059 -0.571 0.000 0.890 372 L HN 0.204 nan 8.230 nan 0.000 0.432 373 K N 0.492 120.884 120.400 -0.014 0.000 2.063 373 K HA -0.164 4.160 4.320 0.007 0.000 0.208 373 K C 1.996 178.583 176.600 -0.023 0.000 1.048 373 K CA 1.490 57.832 56.287 0.092 0.000 0.928 373 K CB -0.239 32.335 32.500 0.124 0.000 0.713 373 K HN 0.251 nan 8.250 nan 0.000 0.442 374 A N 0.257 123.021 122.820 -0.094 0.000 2.070 374 A HA -0.071 4.253 4.320 0.007 0.000 0.220 374 A C 1.857 179.325 177.584 -0.192 0.000 1.159 374 A CA 1.454 53.418 52.037 -0.122 0.000 0.656 374 A CB -0.426 18.493 19.000 -0.134 0.000 0.800 374 A HN 0.409 nan 8.150 nan 0.000 0.453 375 M N -1.313 118.129 119.600 -0.263 0.000 2.494 375 M HA 0.184 4.668 4.480 0.007 0.000 0.232 375 M C 1.247 177.415 176.300 -0.221 0.000 1.137 375 M CA 0.703 55.766 55.300 -0.394 0.000 1.012 375 M CB 0.301 32.635 32.600 -0.442 0.000 1.567 375 M HN 0.604 nan 8.290 nan 0.000 0.486 376 G N 1.716 110.439 108.800 -0.128 0.000 2.141 376 G HA2 -0.233 3.731 3.960 0.007 0.000 0.242 376 G HA3 -0.233 3.731 3.960 0.007 0.000 0.242 376 G C 0.005 174.969 174.900 0.107 0.000 0.982 376 G CA -0.365 44.664 45.100 -0.117 0.000 0.662 376 G HN 0.456 nan 8.290 nan 0.000 0.527 377 I N 3.119 123.796 120.570 0.179 0.000 2.371 377 I HA 0.316 4.490 4.170 0.007 0.000 0.290 377 I C -1.362 174.915 176.117 0.267 0.000 1.028 377 I CA -2.268 59.176 61.300 0.240 0.000 1.345 377 I CB 1.234 39.375 38.000 0.234 0.000 1.407 377 I HN -0.063 nan 8.210 nan 0.000 0.501 378 P HA 0.135 nan 4.420 nan 0.000 0.274 378 P C -0.053 177.116 177.300 -0.218 0.000 1.231 378 P CA -0.245 62.901 63.100 0.077 0.000 0.790 378 P CB 1.014 32.833 31.700 0.199 0.000 0.951 379 E N 1.178 121.053 120.200 -0.541 0.000 2.130 379 E HA -0.235 4.119 4.350 0.007 0.000 0.196 379 E C 1.212 177.406 176.600 -0.676 0.000 0.998 379 E CA 2.036 57.717 56.400 -1.198 0.000 0.806 379 E CB -0.551 28.759 29.700 -0.650 0.000 0.738 379 E HN 0.618 nan 8.360 nan 0.000 0.459 380 D N -0.727 119.502 120.400 -0.285 0.000 2.378 380 D HA -0.130 4.514 4.640 0.007 0.000 0.227 380 D C 1.253 177.478 176.300 -0.125 0.000 1.012 380 D CA 0.606 54.493 54.000 -0.188 0.000 0.905 380 D CB 0.010 40.696 40.800 -0.191 0.000 0.895 380 D HN 0.119 nan 8.370 nan 0.000 0.532 381 M N -0.668 118.934 119.600 0.003 0.000 2.441 381 M HA 0.126 4.611 4.480 0.007 0.000 0.244 381 M C 0.700 177.188 176.300 0.313 0.000 1.122 381 M CA -0.008 55.386 55.300 0.157 0.000 1.041 381 M CB -0.270 32.454 32.600 0.207 0.000 1.438 381 M HN -0.040 nan 8.290 nan 0.000 0.484 382 F N 1.273 121.264 119.950 0.069 0.000 2.069 382 F HA -0.140 4.391 4.527 0.007 0.000 0.298 382 F C 2.533 178.395 175.800 0.102 0.000 1.113 382 F CA 1.398 59.436 58.000 0.063 0.000 1.214 382 F CB -1.804 37.233 39.000 0.062 0.000 0.978 382 F HN 0.158 nan 8.300 nan 0.000 0.474 383 T N 0.196 114.965 114.554 0.359 0.000 2.821 383 T HA -0.100 4.254 4.350 0.007 0.000 0.267 383 T C 2.267 177.081 174.700 0.190 0.000 1.046 383 T CA 1.211 63.490 62.100 0.298 0.000 1.139 383 T CB -0.644 68.395 68.868 0.285 0.000 0.871 383 T HN 0.249 nan 8.240 nan 0.000 0.454 384 A N 1.212 124.121 122.820 0.147 0.000 1.940 384 A HA -0.058 4.267 4.320 0.007 0.000 0.219 384 A C 2.262 179.867 177.584 0.035 0.000 1.176 384 A CA 1.291 53.370 52.037 0.070 0.000 0.631 384 A CB -0.786 18.254 19.000 0.067 0.000 0.814 384 A HN 0.535 nan 8.150 nan 0.000 0.446 385 I N -1.878 118.733 120.570 0.068 0.000 2.439 385 I HA -0.160 4.014 4.170 0.007 0.000 0.251 385 I C 2.287 178.369 176.117 -0.058 0.000 1.139 385 I CA 0.791 62.070 61.300 -0.035 0.000 1.438 385 I CB -0.259 37.756 38.000 0.025 0.000 1.085 385 I HN 0.391 nan 8.210 nan 0.000 0.427 386 F N 2.085 121.920 119.950 -0.191 0.000 2.102 386 F HA -0.215 4.317 4.527 0.009 0.000 0.298 386 F C 2.465 178.115 175.800 -0.251 0.000 1.105 386 F CA 1.349 59.209 58.000 -0.234 0.000 1.239 386 F CB -0.809 38.119 39.000 -0.120 0.000 0.991 386 F HN 0.033 nan 8.300 nan 0.000 0.474 387 A N 0.594 123.403 122.820 -0.019 0.000 1.902 387 A HA -0.150 4.175 4.320 0.007 0.000 0.217 387 A C 2.405 179.852 177.584 -0.229 0.000 1.181 387 A CA 1.471 53.404 52.037 -0.174 0.000 0.623 387 A CB -1.266 17.755 19.000 0.034 0.000 0.818 387 A HN 0.524 nan 8.150 nan 0.000 0.443 388 L N -0.574 120.525 121.223 -0.206 0.000 1.990 388 L HA -0.239 4.105 4.340 0.007 0.000 0.213 388 L C 2.798 179.433 176.870 -0.391 0.000 1.072 388 L CA 1.913 56.560 54.840 -0.321 0.000 0.755 388 L CB -0.394 41.357 42.059 -0.514 0.000 0.889 388 L HN 0.395 nan 8.230 nan 0.000 0.432 389 A N -0.250 122.321 122.820 -0.416 0.000 1.873 389 A HA -0.243 4.081 4.320 0.007 0.000 0.215 389 A C 2.268 179.719 177.584 -0.221 0.000 1.186 389 A CA 1.631 53.453 52.037 -0.358 0.000 0.616 389 A CB -0.584 18.299 19.000 -0.195 0.000 0.823 389 A HN 0.465 nan 8.150 nan 0.000 0.442 390 R N 0.060 120.362 120.500 -0.330 0.000 2.237 390 R HA -0.034 4.310 4.340 0.007 0.000 0.219 390 R C 1.811 177.592 176.300 -0.866 0.000 1.080 390 R CA 1.863 57.578 56.100 -0.641 0.000 0.995 390 R CB -1.510 28.203 30.300 -0.978 0.000 0.875 390 R HN 0.459 nan 8.270 nan 0.000 0.462 391 T N -0.174 114.044 114.554 -0.560 0.000 2.737 391 T HA -0.217 4.138 4.350 0.007 0.000 0.269 391 T C 1.746 176.410 174.700 -0.060 0.000 1.040 391 T CA 1.875 63.898 62.100 -0.129 0.000 1.142 391 T CB -0.391 68.472 68.868 -0.008 0.000 0.861 391 T HN 0.591 nan 8.240 nan 0.000 0.456 392 S N 1.279 116.921 115.700 -0.097 0.000 2.356 392 S HA -0.061 4.413 4.470 0.007 0.000 0.223 392 S C 2.413 176.963 174.600 -0.083 0.000 1.032 392 S CA 1.362 59.508 58.200 -0.089 0.000 1.005 392 S CB -1.260 61.872 63.200 -0.114 0.000 0.867 392 S HN 0.525 nan 8.310 nan 0.000 0.449 393 G N 0.655 109.385 108.800 -0.117 0.000 2.446 393 G HA2 -0.161 3.803 3.960 0.007 0.000 0.217 393 G HA3 -0.161 3.803 3.960 0.007 0.000 0.217 393 G C 1.200 176.156 174.900 0.093 0.000 1.168 393 G CA 0.876 45.938 45.100 -0.063 0.000 0.771 393 G HN 0.519 nan 8.290 nan 0.000 0.551 394 W N 0.293 121.599 121.300 0.010 0.000 2.335 394 W HA 0.021 4.688 4.660 0.012 0.000 0.311 394 W C 2.395 178.929 176.519 0.026 0.000 1.213 394 W CA 0.417 57.771 57.345 0.016 0.000 1.274 394 W CB -1.268 28.182 29.460 -0.016 0.000 1.148 394 W HN 0.192 nan 8.180 nan 0.000 0.498 395 I N 0.342 121.045 120.570 0.222 0.000 2.394 395 I HA -0.229 3.945 4.170 0.007 0.000 0.251 395 I C 2.349 178.564 176.117 0.163 0.000 1.136 395 I CA 1.561 62.934 61.300 0.122 0.000 1.425 395 I CB -0.647 37.334 38.000 -0.032 0.000 1.079 395 I HN -0.266 nan 8.210 nan 0.000 0.425 396 S N 0.171 115.921 115.700 0.082 0.000 2.368 396 S HA -0.177 4.297 4.470 0.007 0.000 0.225 396 S C 1.873 176.515 174.600 0.071 0.000 1.030 396 S CA 1.075 59.295 58.200 0.033 0.000 0.999 396 S CB -0.268 62.917 63.200 -0.025 0.000 0.844 396 S HN 0.520 nan 8.310 nan 0.000 0.459 397 Q N -0.521 119.354 119.800 0.124 0.000 2.119 397 Q HA -0.106 4.238 4.340 0.007 0.000 0.201 397 Q C 1.889 177.956 176.000 0.111 0.000 0.972 397 Q CA 1.006 56.877 55.803 0.114 0.000 0.847 397 Q CB -0.342 28.492 28.738 0.160 0.000 0.903 397 Q HN 0.753 nan 8.270 nan 0.000 0.433 398 W N 1.667 122.960 121.300 -0.010 0.000 2.355 398 W HA -0.160 4.502 4.660 0.004 0.000 0.309 398 W C 1.852 178.338 176.519 -0.054 0.000 1.206 398 W CA 1.263 58.582 57.345 -0.043 0.000 1.284 398 W CB -0.374 29.046 29.460 -0.067 0.000 1.145 398 W HN -0.004 nan 8.180 nan 0.000 0.502 399 I N 0.575 121.158 120.570 0.021 0.000 2.151 399 I HA -0.363 3.812 4.170 0.007 0.000 0.243 399 I C 2.536 178.494 176.117 -0.265 0.000 1.080 399 I CA 2.186 63.358 61.300 -0.213 0.000 1.339 399 I CB -0.782 37.200 38.000 -0.030 0.000 1.039 399 I HN 0.142 nan 8.210 nan 0.000 0.409 400 E N 0.852 120.967 120.200 -0.141 0.000 2.058 400 E HA -0.289 4.065 4.350 0.007 0.000 0.194 400 E C 2.367 178.868 176.600 -0.165 0.000 0.997 400 E CA 1.391 57.720 56.400 -0.117 0.000 0.801 400 E CB -0.088 29.582 29.700 -0.050 0.000 0.746 400 E HN 0.364 nan 8.360 nan 0.000 0.450 401 M N 0.853 120.333 119.600 -0.200 0.000 2.159 401 M HA -0.138 4.346 4.480 0.007 0.000 0.263 401 M C 2.235 178.362 176.300 -0.288 0.000 1.063 401 M CA 1.576 56.750 55.300 -0.210 0.000 1.110 401 M CB -0.023 32.468 32.600 -0.182 0.000 1.374 401 M HN 0.250 nan 8.290 nan 0.000 0.411 402 V N -2.095 117.534 119.914 -0.476 0.000 2.951 402 V HA -0.034 4.090 4.120 0.007 0.000 0.255 402 V C 1.243 177.160 176.094 -0.296 0.000 1.088 402 V CA 1.316 63.335 62.300 -0.468 0.000 1.109 402 V CB -1.045 30.292 31.823 -0.810 0.000 0.724 402 V HN 0.403 nan 8.190 nan 0.000 0.471 403 N N 0.627 119.176 118.700 -0.252 0.000 2.336 403 N HA 0.078 4.822 4.740 0.007 0.000 0.189 403 N C 0.309 175.755 175.510 -0.107 0.000 1.113 403 N CA 0.414 53.371 53.050 -0.154 0.000 0.858 403 N CB -0.115 38.294 38.487 -0.129 0.000 0.970 403 N HN 0.577 nan 8.380 nan 0.000 0.471 404 D N 1.849 122.181 120.400 -0.114 0.000 2.317 404 D HA 0.100 4.744 4.640 0.007 0.000 0.252 404 D C -1.472 174.790 176.300 -0.062 0.000 1.174 404 D CA -1.920 52.035 54.000 -0.075 0.000 0.866 404 D CB 1.758 42.511 40.800 -0.078 0.000 1.127 404 D HN 0.048 nan 8.370 nan 0.000 0.467 405 P HA -0.033 nan 4.420 nan 0.000 0.230 405 P C 0.628 177.913 177.300 -0.024 0.000 1.158 405 P CA 0.411 63.493 63.100 -0.030 0.000 0.769 405 P CB 0.341 32.032 31.700 -0.014 0.000 0.807 406 A N -1.137 121.667 122.820 -0.025 0.000 2.195 406 A HA 0.056 4.381 4.320 0.007 0.000 0.210 406 A C 1.265 178.826 177.584 -0.039 0.000 1.165 406 A CA 0.368 52.392 52.037 -0.022 0.000 0.806 406 A CB -0.303 18.688 19.000 -0.015 0.000 0.847 406 A HN 0.076 nan 8.150 nan 0.000 0.482 407 Q N 1.240 121.007 119.800 -0.054 0.000 2.274 407 Q HA 0.357 4.702 4.340 0.007 0.000 0.256 407 Q C -0.270 175.694 176.000 -0.060 0.000 0.927 407 Q CA 0.073 55.836 55.803 -0.067 0.000 0.939 407 Q CB 1.412 30.097 28.738 -0.088 0.000 1.201 407 Q HN 0.733 nan 8.270 nan 0.000 0.426 408 K N 1.131 121.501 120.400 -0.051 0.000 2.263 408 K HA 0.499 4.824 4.320 0.007 0.000 0.249 408 K C -0.040 176.538 176.600 -0.038 0.000 1.076 408 K CA -0.996 55.267 56.287 -0.039 0.000 0.884 408 K CB 1.085 33.569 32.500 -0.027 0.000 1.394 408 K HN 0.469 nan 8.250 nan 0.000 0.476 409 I N 1.748 122.302 120.570 -0.026 0.000 2.752 409 I HA 0.008 4.182 4.170 0.007 0.000 0.289 409 I C 0.331 176.431 176.117 -0.029 0.000 1.197 409 I CA 0.423 61.710 61.300 -0.021 0.000 1.432 409 I CB 0.358 38.353 38.000 -0.009 0.000 1.359 409 I HN 0.776 nan 8.210 nan 0.000 0.571 410 G N 6.983 115.762 108.800 -0.035 0.000 2.365 410 G HA2 0.219 4.184 3.960 0.007 0.000 0.249 410 G HA3 0.219 4.184 3.960 0.007 0.000 0.249 410 G C -0.087 174.793 174.900 -0.034 0.000 1.288 410 G CA -0.445 44.626 45.100 -0.047 0.000 0.887 410 G HN 0.792 nan 8.290 nan 0.000 0.524 411 R N 2.809 123.286 120.500 -0.039 0.000 2.655 411 R HA 0.190 4.534 4.340 0.007 0.000 0.261 411 R C -2.418 173.851 176.300 -0.052 0.000 1.624 411 R CA -1.007 55.074 56.100 -0.032 0.000 1.655 411 R CB 1.337 31.623 30.300 -0.024 0.000 1.356 411 R HN 0.437 nan 8.270 nan 0.000 0.684 412 P HA 0.218 nan 4.420 nan 0.000 0.272 412 P C -0.172 177.066 177.300 -0.102 0.000 1.240 412 P CA -0.532 62.543 63.100 -0.041 0.000 0.791 412 P CB 0.790 32.529 31.700 0.065 0.000 0.978 413 R N 0.582 120.960 120.500 -0.203 0.000 2.730 413 R HA 0.561 4.905 4.340 0.007 0.000 0.228 413 R C 0.190 176.425 176.300 -0.108 0.000 1.312 413 R CA -0.661 55.255 56.100 -0.307 0.000 1.093 413 R CB 0.044 29.759 30.300 -0.975 0.000 1.583 413 R HN 0.693 nan 8.270 nan 0.000 0.535 414 Q N -0.528 119.264 119.800 -0.014 0.000 2.511 414 Q HA 0.564 4.909 4.340 0.007 0.000 0.289 414 Q C -1.388 174.735 176.000 0.206 0.000 1.021 414 Q CA -1.063 54.806 55.803 0.110 0.000 0.785 414 Q CB 1.592 30.402 28.738 0.121 0.000 1.472 414 Q HN 0.269 nan 8.270 nan 0.000 0.411 415 L N 2.127 123.471 121.223 0.201 0.000 2.264 415 L HA 0.394 4.739 4.340 0.007 0.000 0.287 415 L C -1.565 175.382 176.870 0.129 0.000 1.039 415 L CA -0.460 54.463 54.840 0.138 0.000 0.829 415 L CB 0.549 42.586 42.059 -0.037 0.000 1.211 415 L HN 0.674 nan 8.230 nan 0.000 0.427 416 Y N 3.576 123.903 120.300 0.045 0.000 2.393 416 Y HA 0.360 4.914 4.550 0.007 0.000 0.338 416 Y C 0.950 176.853 175.900 0.005 0.000 1.029 416 Y CA 0.272 58.389 58.100 0.029 0.000 1.239 416 Y CB 1.001 39.483 38.460 0.036 0.000 1.170 416 Y HN 0.757 nan 8.280 nan 0.000 0.515 417 T N 1.696 115.903 114.554 -0.577 0.000 3.200 417 T HA 0.418 4.772 4.350 0.007 0.000 0.284 417 T C 0.701 175.039 174.700 -0.603 0.000 1.009 417 T CA 0.003 61.828 62.100 -0.459 0.000 0.907 417 T CB -0.362 68.366 68.868 -0.234 0.000 1.120 417 T HN 0.726 nan 8.240 nan 0.000 0.534 418 G N 1.347 109.404 108.800 -1.237 0.000 2.494 418 G HA2 0.610 4.574 3.960 0.007 0.000 0.270 418 G HA3 0.610 4.574 3.960 0.007 0.000 0.270 418 G C 0.213 174.968 174.900 -0.241 0.000 1.423 418 G CA -0.525 44.181 45.100 -0.656 0.000 1.055 418 G HN 0.685 nan 8.290 nan 0.000 0.536 419 A N -0.588 122.243 122.820 0.018 0.000 2.445 419 A HA 0.544 4.869 4.320 0.007 0.000 0.242 419 A C 1.074 178.772 177.584 0.189 0.000 1.075 419 A CA 0.514 52.598 52.037 0.078 0.000 0.777 419 A CB -0.257 18.776 19.000 0.055 0.000 1.013 419 A HN 1.238 nan 8.150 nan 0.000 0.493 420 T N 0.480 115.103 114.554 0.116 0.000 2.810 420 T HA 0.348 4.702 4.350 0.007 0.000 0.277 420 T C 0.175 174.898 174.700 0.039 0.000 0.973 420 T CA -0.729 61.435 62.100 0.107 0.000 0.949 420 T CB -0.077 68.831 68.868 0.066 0.000 1.075 420 T HN 0.578 nan 8.240 nan 0.000 0.537 421 N N 1.813 120.516 118.700 0.006 0.000 2.301 421 N HA 0.191 4.936 4.740 0.007 0.000 0.267 421 N C -0.025 175.459 175.510 -0.044 0.000 1.304 421 N CA 0.195 53.225 53.050 -0.033 0.000 0.851 421 N CB -0.169 38.295 38.487 -0.038 0.000 1.070 421 N HN 0.687 nan 8.380 nan 0.000 0.483 422 R N 0.460 120.910 120.500 -0.082 0.000 2.740 422 R HA 0.535 4.879 4.340 0.007 0.000 0.273 422 R C -1.228 174.959 176.300 -0.187 0.000 0.998 422 R CA -1.056 54.983 56.100 -0.101 0.000 0.900 422 R CB 1.294 31.546 30.300 -0.080 0.000 1.223 422 R HN 0.236 nan 8.270 nan 0.000 0.466 423 N N 0.682 119.285 118.700 -0.162 0.000 2.459 423 N HA 0.394 5.138 4.740 0.007 0.000 0.288 423 N C -0.557 174.827 175.510 -0.209 0.000 1.186 423 N CA -0.544 52.373 53.050 -0.222 0.000 0.917 423 N CB 0.619 39.053 38.487 -0.088 0.000 1.219 423 N HN 0.248 nan 8.380 nan 0.000 0.525 424 F N 0.000 119.955 119.950 0.008 0.000 2.286 424 F HA 0.000 4.531 4.527 0.006 0.000 0.279 424 F CA 0.000 58.005 58.000 0.008 0.000 1.383 424 F CB 0.000 39.004 39.000 0.007 0.000 1.145 424 F HN 0.000 nan 8.300 nan 0.000 0.574