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 3foe_1_A DATA FIRST_RESID 5 DATA SEQUENCE QNMSLEDIMG ERFGRYSKYI IQDRALPDIR DGLKPVQRRI LYSMNKDSNX DATA SEQUENCE XDKSYRKSAK SVGNIMGNFH PHGDSSIYDA MVRMSQNWKN REILVEMHGN DATA SEQUENCE NGSMDGDPPA AMRYTEARLS EIAGYLLQDI EKKTVPFAWN FDDTEKEPTV DATA SEQUENCE LPAAFPNLLV NXXXXXXXXX XTDIPPHNLA EVIDAAVYMI DHPTXKIDKL DATA SEQUENCE MEFLPGPDFP TXXIIQGRDE IKKAYETGXG RVVVRSKTEI EKLKGGKEQI DATA SEQUENCE VITXXXXEIN KANLVKKIDD VRVNNKVXXX XXXXXXXXXX XXXXXIELXX DATA SEQUENCE XXXTELVLNY LFKYTDLQIN YNFNMVAIDN FTPRQVGIVP ILSSYIAHRR DATA SEQUENCE EVILARSRFD KEKAEKRLHI VEGLIRVISI LDEVIALIRA SENKADAKEN DATA SEQUENCE LKVSYDFTEE QAEAIVTLQL YRLTNTDVVV LQEEEAELRE KIAMLAAIIG DATA SEQUENCE DERTMYNLMK KELREVKKKF ATPRL 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.000 176.000 0.001 0.000 1.003 5 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 5 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 6 N N -0.636 118.065 118.700 0.001 0.000 2.485 6 N HA 0.603 5.345 4.740 0.004 0.000 0.199 6 N C 1.536 177.047 175.510 0.002 0.000 1.236 6 N CA 1.848 54.899 53.050 0.002 0.000 0.852 6 N CB -1.131 37.357 38.487 0.002 0.000 1.018 6 N HN 2.523 nan 8.380 nan 0.000 0.457 7 M N -1.750 117.851 119.600 0.002 0.000 7.319 7 M HA 0.207 4.690 4.480 0.004 0.000 0.296 7 M C 1.051 177.352 176.300 0.002 0.000 0.480 7 M CA 0.793 56.094 55.300 0.002 0.000 1.311 7 M CB -1.814 30.788 32.600 0.003 0.000 0.421 7 M HN 1.990 nan 8.290 nan 0.000 0.259 8 S N -0.377 115.324 115.700 0.002 0.000 2.626 8 S HA 1.103 5.575 4.470 0.004 0.000 0.257 8 S C 0.656 175.258 174.600 0.004 0.000 1.288 8 S CA 0.705 58.906 58.200 0.002 0.000 0.980 8 S CB -0.239 62.962 63.200 0.001 0.000 0.975 8 S HN 2.746 nan 8.310 nan 0.000 0.577 9 L N -1.421 119.804 121.223 0.003 0.000 2.391 9 L HA 1.155 5.498 4.340 0.004 0.000 0.266 9 L C 0.224 177.097 176.870 0.005 0.000 1.035 9 L CA -0.060 54.783 54.840 0.005 0.000 0.877 9 L CB -0.068 41.993 42.059 0.004 0.000 1.504 9 L HN 1.685 nan 8.230 nan 0.000 0.503 10 E N -1.364 118.840 120.200 0.007 0.000 2.401 10 E HA 0.540 4.892 4.350 0.004 0.000 0.283 10 E C -0.518 176.090 176.600 0.013 0.000 1.053 10 E CA 0.106 56.511 56.400 0.008 0.000 0.842 10 E CB -0.379 29.329 29.700 0.014 0.000 1.222 10 E HN 2.393 nan 8.360 nan 0.000 0.429 11 D N -0.549 119.856 120.400 0.007 0.000 2.455 11 D HA 0.564 5.207 4.640 0.004 0.000 0.241 11 D C 1.429 177.759 176.300 0.049 0.000 1.138 11 D CA 0.570 54.579 54.000 0.015 0.000 0.877 11 D CB 0.817 41.610 40.800 -0.013 0.000 1.187 11 D HN 1.824 nan 8.370 nan 0.000 0.451 12 I N -0.013 120.594 120.570 0.062 0.000 2.830 12 I HA 0.260 4.432 4.170 0.004 0.000 0.263 12 I C 2.971 179.193 176.117 0.176 0.000 1.230 12 I CA 2.254 63.610 61.300 0.093 0.000 1.480 12 I CB -1.698 36.339 38.000 0.061 0.000 1.095 12 I HN 0.947 nan 8.210 nan 0.000 0.455 13 M N 0.322 120.019 119.600 0.161 0.000 2.358 13 M HA 0.244 4.727 4.480 0.004 0.000 0.264 13 M C 2.366 178.715 176.300 0.082 0.000 1.064 13 M CA 2.248 57.684 55.300 0.227 0.000 1.093 13 M CB -2.020 30.594 32.600 0.023 0.000 1.401 13 M HN 0.725 nan 8.290 nan 0.000 0.440 14 G N -0.767 108.079 108.800 0.075 0.000 2.570 14 G HA2 0.262 4.224 3.960 0.004 0.000 0.209 14 G HA3 0.262 4.224 3.960 0.004 0.000 0.209 14 G C 1.497 176.486 174.900 0.149 0.000 1.168 14 G CA 1.436 46.553 45.100 0.027 0.000 0.831 14 G HN 0.694 nan 8.290 nan 0.000 0.564 15 E N 0.423 120.704 120.200 0.136 0.000 2.107 15 E HA 0.012 4.364 4.350 0.004 0.000 0.191 15 E C 2.393 179.083 176.600 0.150 0.000 0.982 15 E CA 1.733 58.204 56.400 0.118 0.000 0.809 15 E CB -0.787 28.959 29.700 0.076 0.000 0.756 15 E HN 0.568 nan 8.360 nan 0.000 0.459 16 R N -0.668 119.937 120.500 0.175 0.000 2.313 16 R HA 0.401 4.743 4.340 0.004 0.000 0.199 16 R C 1.830 178.157 176.300 0.044 0.000 0.958 16 R CA 0.862 57.014 56.100 0.087 0.000 1.047 16 R CB -1.022 29.279 30.300 0.002 0.000 0.955 16 R HN 0.496 nan 8.270 nan 0.000 0.481 17 F N -0.774 119.194 119.950 0.030 0.000 2.274 17 F HA 0.240 4.770 4.527 0.003 0.000 0.288 17 F C 2.739 178.593 175.800 0.090 0.000 1.069 17 F CA 1.205 59.230 58.000 0.041 0.000 1.343 17 F CB -0.275 38.736 39.000 0.019 0.000 1.089 17 F HN 0.287 nan 8.300 nan 0.000 0.517 18 G N -0.015 108.947 108.800 0.269 0.000 2.408 18 G HA2 -0.105 3.858 3.960 0.004 0.000 0.215 18 G HA3 -0.105 3.858 3.960 0.004 0.000 0.215 18 G C 1.824 176.814 174.900 0.151 0.000 1.156 18 G CA 0.225 45.431 45.100 0.178 0.000 0.793 18 G HN -0.012 nan 8.290 nan 0.000 0.535 19 R N 0.146 120.733 120.500 0.146 0.000 2.082 19 R HA -0.130 4.212 4.340 0.004 0.000 0.234 19 R C 2.224 178.623 176.300 0.165 0.000 1.136 19 R CA 1.375 57.552 56.100 0.128 0.000 0.935 19 R CB -1.576 28.787 30.300 0.106 0.000 0.842 19 R HN 0.546 nan 8.270 nan 0.000 0.430 20 Y N 1.718 122.046 120.300 0.046 0.000 2.574 20 Y HA -0.146 4.406 4.550 0.004 0.000 0.294 20 Y C 2.439 178.391 175.900 0.087 0.000 1.142 20 Y CA 1.260 59.386 58.100 0.043 0.000 1.314 20 Y CB -0.148 38.288 38.460 -0.041 0.000 0.991 20 Y HN 0.277 nan 8.280 nan 0.000 0.555 21 S N 0.928 116.773 115.700 0.242 0.000 2.335 21 S HA -0.154 4.319 4.470 0.004 0.000 0.217 21 S C 2.210 176.848 174.600 0.064 0.000 1.032 21 S CA 2.043 60.339 58.200 0.160 0.000 0.985 21 S CB -0.999 62.294 63.200 0.155 0.000 0.896 21 S HN 0.442 nan 8.310 nan 0.000 0.445 22 K N 0.334 120.775 120.400 0.067 0.000 2.052 22 K HA -0.229 4.094 4.320 0.004 0.000 0.215 22 K C 2.028 178.624 176.600 -0.006 0.000 1.053 22 K CA 2.271 58.578 56.287 0.032 0.000 0.934 22 K CB -1.778 30.752 32.500 0.049 0.000 0.717 22 K HN 0.750 nan 8.250 nan 0.000 0.450 23 Y N 0.352 120.574 120.300 -0.131 0.000 2.439 23 Y HA 0.063 4.615 4.550 0.004 0.000 0.292 23 Y C 2.669 178.419 175.900 -0.250 0.000 1.130 23 Y CA 1.670 59.656 58.100 -0.191 0.000 1.254 23 Y CB -0.120 38.195 38.460 -0.243 0.000 1.000 23 Y HN 0.282 nan 8.280 nan 0.000 0.554 24 I N 0.338 120.817 120.570 -0.151 0.000 2.480 24 I HA -0.087 4.085 4.170 0.004 0.000 0.251 24 I C 2.176 178.226 176.117 -0.112 0.000 1.124 24 I CA 1.565 62.772 61.300 -0.154 0.000 1.444 24 I CB -1.414 36.522 38.000 -0.105 0.000 1.098 24 I HN 0.423 nan 8.210 nan 0.000 0.428 25 I N -0.560 119.960 120.570 -0.083 0.000 2.614 25 I HA -0.045 4.127 4.170 0.004 0.000 0.258 25 I C 2.337 178.390 176.117 -0.106 0.000 1.189 25 I CA 1.608 62.869 61.300 -0.064 0.000 1.462 25 I CB -1.066 36.916 38.000 -0.030 0.000 1.092 25 I HN 0.430 nan 8.210 nan 0.000 0.442 26 Q N 0.798 120.488 119.800 -0.184 0.000 2.444 26 Q HA -0.067 4.275 4.340 0.004 0.000 0.206 26 Q C 1.366 177.198 176.000 -0.280 0.000 0.948 26 Q CA 1.231 56.891 55.803 -0.239 0.000 0.946 26 Q CB -0.821 27.723 28.738 -0.323 0.000 1.027 26 Q HN 0.598 nan 8.270 nan 0.000 0.513 27 D N -0.447 119.812 120.400 -0.235 0.000 2.325 27 D HA 0.026 4.668 4.640 0.004 0.000 0.225 27 D C 1.387 177.633 176.300 -0.090 0.000 1.096 27 D CA 0.016 53.921 54.000 -0.158 0.000 0.844 27 D CB 0.064 40.797 40.800 -0.111 0.000 0.925 27 D HN 0.597 nan 8.370 nan 0.000 0.513 28 R N -0.319 120.130 120.500 -0.085 0.000 2.397 28 R HA 0.317 4.659 4.340 0.004 0.000 0.241 28 R C 0.149 176.419 176.300 -0.050 0.000 0.914 28 R CA -0.070 55.998 56.100 -0.052 0.000 1.071 28 R CB 0.399 30.676 30.300 -0.038 0.000 1.116 28 R HN -0.041 nan 8.270 nan 0.000 0.524 29 A N 1.714 124.493 122.820 -0.067 0.000 3.118 29 A HA 0.485 4.807 4.320 0.004 0.000 0.256 29 A C 0.006 177.560 177.584 -0.051 0.000 1.667 29 A CA 0.029 52.033 52.037 -0.056 0.000 1.338 29 A CB -0.589 18.372 19.000 -0.066 0.000 1.127 29 A HN 0.295 nan 8.150 nan 0.000 0.634 30 L N -0.290 120.910 121.223 -0.039 0.000 2.303 30 L HA 0.920 5.262 4.340 0.004 0.000 0.266 30 L C -2.694 174.163 176.870 -0.022 0.000 1.011 30 L CA -2.719 52.102 54.840 -0.031 0.000 0.818 30 L CB 0.222 42.265 42.059 -0.026 0.000 1.326 30 L HN 0.299 nan 8.230 nan 0.000 0.435 31 P HA 0.368 nan 4.420 nan 0.000 0.262 31 P C -0.033 177.263 177.300 -0.008 0.000 1.199 31 P CA 0.905 63.997 63.100 -0.015 0.000 0.763 31 P CB -0.393 31.298 31.700 -0.014 0.000 0.790 32 D N 1.564 121.960 120.400 -0.007 0.000 2.414 32 D HA 0.237 4.880 4.640 0.004 0.000 0.242 32 D C 1.840 178.148 176.300 0.013 0.000 1.129 32 D CA 0.192 54.191 54.000 -0.002 0.000 0.885 32 D CB -0.035 40.760 40.800 -0.010 0.000 1.198 32 D HN 0.341 nan 8.370 nan 0.000 0.437 33 I N 0.507 121.087 120.570 0.017 0.000 2.623 33 I HA -0.147 4.025 4.170 0.004 0.000 0.261 33 I C 2.263 178.425 176.117 0.074 0.000 1.204 33 I CA 2.220 63.542 61.300 0.038 0.000 1.444 33 I CB -1.213 36.807 38.000 0.034 0.000 1.094 33 I HN 0.679 nan 8.210 nan 0.000 0.451 34 R N 0.470 120.997 120.500 0.045 0.000 2.005 34 R HA 0.164 4.507 4.340 0.004 0.000 0.213 34 R C 2.422 178.755 176.300 0.056 0.000 1.308 34 R CA 1.194 57.311 56.100 0.029 0.000 1.022 34 R CB -1.230 29.035 30.300 -0.059 0.000 0.883 34 R HN 0.546 nan 8.270 nan 0.000 0.470 35 D N 0.548 120.952 120.400 0.007 0.000 2.221 35 D HA -0.028 4.615 4.640 0.004 0.000 0.204 35 D C 1.216 177.540 176.300 0.040 0.000 0.982 35 D CA 1.150 55.158 54.000 0.014 0.000 0.857 35 D CB -0.757 40.036 40.800 -0.012 0.000 0.934 35 D HN 0.523 nan 8.370 nan 0.000 0.475 36 G N -2.127 106.695 108.800 0.038 0.000 2.333 36 G HA2 0.386 4.348 3.960 0.004 0.000 0.296 36 G HA3 0.386 4.348 3.960 0.004 0.000 0.296 36 G C 0.224 175.123 174.900 -0.000 0.000 1.059 36 G CA 0.583 45.697 45.100 0.023 0.000 1.050 36 G HN 1.846 nan 8.290 nan 0.000 0.508 37 L N -2.842 118.376 121.223 -0.008 0.000 2.556 37 L HA 1.119 5.461 4.340 0.004 0.000 0.257 37 L C -0.043 176.814 176.870 -0.021 0.000 0.955 37 L CA -0.237 54.592 54.840 -0.019 0.000 0.850 37 L CB 0.747 42.795 42.059 -0.020 0.000 1.398 37 L HN 1.554 nan 8.230 nan 0.000 0.412 38 K N 2.273 122.657 120.400 -0.027 0.000 2.185 38 K HA 0.790 5.112 4.320 0.004 0.000 0.269 38 K C -1.686 174.903 176.600 -0.019 0.000 0.987 38 K CA -1.000 55.271 56.287 -0.026 0.000 0.865 38 K CB 0.707 33.187 32.500 -0.033 0.000 1.090 38 K HN 0.753 nan 8.250 nan 0.000 0.450 39 P HA -0.289 nan 4.420 nan 0.000 0.216 39 P C 1.697 179.022 177.300 0.042 0.000 1.167 39 P CA 2.248 65.360 63.100 0.021 0.000 0.933 39 P CB -0.146 31.575 31.700 0.036 0.000 0.793 40 V N -1.544 118.413 119.914 0.073 0.000 3.061 40 V HA -0.292 3.830 4.120 0.004 0.000 0.269 40 V C 2.342 178.370 176.094 -0.110 0.000 1.154 40 V CA 3.035 65.321 62.300 -0.025 0.000 1.168 40 V CB -2.013 29.785 31.823 -0.041 0.000 0.758 40 V HN 0.253 nan 8.190 nan 0.000 0.530 41 Q N -0.789 118.977 119.800 -0.057 0.000 2.080 41 Q HA 0.104 4.446 4.340 0.004 0.000 0.195 41 Q C 2.625 178.600 176.000 -0.041 0.000 0.989 41 Q CA 2.880 58.648 55.803 -0.059 0.000 0.838 41 Q CB -1.080 27.628 28.738 -0.051 0.000 0.915 41 Q HN 0.985 nan 8.270 nan 0.000 0.482 42 R N 0.156 120.641 120.500 -0.026 0.000 2.189 42 R HA -0.303 4.039 4.340 0.004 0.000 0.252 42 R C 2.677 178.963 176.300 -0.023 0.000 1.134 42 R CA 4.519 60.607 56.100 -0.021 0.000 0.954 42 R CB -2.281 28.002 30.300 -0.028 0.000 0.890 42 R HN 1.073 nan 8.270 nan 0.000 0.443 43 R N -0.504 119.987 120.500 -0.016 0.000 2.094 43 R HA 0.070 4.412 4.340 0.004 0.000 0.239 43 R C 3.017 179.283 176.300 -0.056 0.000 1.137 43 R CA 3.518 59.604 56.100 -0.023 0.000 0.943 43 R CB -1.937 28.432 30.300 0.115 0.000 0.850 43 R HN 1.327 nan 8.270 nan 0.000 0.433 44 I N 0.380 120.916 120.570 -0.057 0.000 2.315 44 I HA 0.258 4.430 4.170 0.004 0.000 0.248 44 I C 3.176 179.269 176.117 -0.040 0.000 1.117 44 I CA 2.395 63.660 61.300 -0.057 0.000 1.404 44 I CB -1.523 36.431 38.000 -0.078 0.000 1.071 44 I HN 0.727 nan 8.210 nan 0.000 0.419 45 L N -1.405 119.799 121.223 -0.031 0.000 2.217 45 L HA -0.032 4.310 4.340 0.004 0.000 0.211 45 L C 2.590 179.456 176.870 -0.005 0.000 1.107 45 L CA 2.440 57.265 54.840 -0.025 0.000 0.783 45 L CB -1.779 40.264 42.059 -0.025 0.000 0.919 45 L HN 0.798 nan 8.230 nan 0.000 0.442 46 Y N 0.230 120.434 120.300 -0.161 0.000 2.436 46 Y HA 0.251 4.803 4.550 0.003 0.000 0.288 46 Y C 2.808 178.545 175.900 -0.271 0.000 1.112 46 Y CA 0.758 58.738 58.100 -0.200 0.000 1.220 46 Y CB -0.344 37.972 38.460 -0.239 0.000 1.073 46 Y HN 0.354 nan 8.280 nan 0.000 0.552 47 S N 0.982 116.665 115.700 -0.028 0.000 2.370 47 S HA -0.246 4.226 4.470 0.004 0.000 0.226 47 S C 2.342 176.920 174.600 -0.037 0.000 1.033 47 S CA 3.129 61.271 58.200 -0.095 0.000 1.011 47 S CB -0.989 62.164 63.200 -0.079 0.000 0.852 47 S HN 0.494 nan 8.310 nan 0.000 0.457 48 M N 1.184 120.760 119.600 -0.040 0.000 2.080 48 M HA -0.097 4.385 4.480 0.004 0.000 0.260 48 M C 2.023 178.277 176.300 -0.077 0.000 1.068 48 M CA 2.629 57.903 55.300 -0.043 0.000 1.109 48 M CB -2.020 30.554 32.600 -0.044 0.000 1.342 48 M HN 0.765 nan 8.290 nan 0.000 0.405 49 N N -0.018 118.604 118.700 -0.131 0.000 2.006 49 N HA -0.199 4.543 4.740 0.004 0.000 0.196 49 N C 2.142 177.538 175.510 -0.191 0.000 1.070 49 N CA 3.036 55.968 53.050 -0.196 0.000 0.859 49 N CB -0.294 37.999 38.487 -0.322 0.000 1.060 49 N HN 0.590 nan 8.380 nan 0.000 0.424 50 K N -0.295 119.938 120.400 -0.279 0.000 2.192 50 K HA -0.302 4.020 4.320 0.004 0.000 0.214 50 K C 1.747 178.323 176.600 -0.039 0.000 1.046 50 K CA 2.836 59.047 56.287 -0.128 0.000 0.937 50 K CB -2.381 30.146 32.500 0.046 0.000 0.734 50 K HN 0.748 nan 8.250 nan 0.000 0.473 51 D N -1.281 119.103 120.400 -0.027 0.000 2.349 51 D HA 0.459 5.101 4.640 0.004 0.000 0.224 51 D C 0.935 177.227 176.300 -0.015 0.000 1.029 51 D CA 1.396 55.398 54.000 0.002 0.000 0.879 51 D CB -0.999 39.812 40.800 0.019 0.000 0.906 51 D HN 1.815 nan 8.370 nan 0.000 0.528 52 S N -2.118 113.558 115.700 -0.040 0.000 3.454 52 S HA 0.338 4.810 4.470 0.004 0.000 0.508 52 S C 0.248 174.826 174.600 -0.038 0.000 0.738 52 S CA 1.150 59.325 58.200 -0.042 0.000 1.383 52 S CB -2.480 60.702 63.200 -0.029 0.000 0.945 52 S HN 1.819 nan 8.310 nan 0.000 0.768 57 K N 0.219 120.583 120.400 -0.061 0.000 2.233 57 K HA 0.833 5.155 4.320 0.004 0.000 0.239 57 K C 1.104 177.667 176.600 -0.063 0.000 1.064 57 K CA 0.807 57.067 56.287 -0.045 0.000 0.884 57 K CB -0.761 31.718 32.500 -0.034 0.000 1.166 57 K HN 1.708 nan 8.250 nan 0.000 0.512 58 S N -1.096 114.593 115.700 -0.018 0.000 2.608 58 S HA 0.528 5.000 4.470 0.004 0.000 0.261 58 S C 0.033 174.645 174.600 0.020 0.000 1.314 58 S CA -0.291 57.928 58.200 0.031 0.000 0.992 58 S CB -0.190 63.053 63.200 0.072 0.000 0.935 58 S HN 0.458 nan 8.310 nan 0.000 0.564 59 Y N 1.133 121.443 120.300 0.016 0.000 2.544 59 Y HA 0.411 4.964 4.550 0.004 0.000 0.330 59 Y C 1.337 177.251 175.900 0.023 0.000 1.136 59 Y CA 0.520 58.633 58.100 0.021 0.000 1.417 59 Y CB 0.172 38.648 38.460 0.027 0.000 1.229 59 Y HN 0.855 nan 8.280 nan 0.000 0.532 60 R N 2.557 123.143 120.500 0.143 0.000 2.459 60 R HA 0.650 4.992 4.340 0.004 0.000 0.281 60 R C 0.595 176.969 176.300 0.124 0.000 1.050 60 R CA -0.268 55.895 56.100 0.105 0.000 1.055 60 R CB -0.137 30.201 30.300 0.063 0.000 1.045 60 R HN 0.800 nan 8.270 nan 0.000 0.495 61 K N 0.130 120.584 120.400 0.091 0.000 2.990 61 K HA 0.468 4.790 4.320 0.004 0.000 0.348 61 K C 1.722 178.378 176.600 0.092 0.000 1.055 61 K CA 1.903 58.237 56.287 0.080 0.000 1.075 61 K CB -0.987 31.538 32.500 0.042 0.000 0.940 61 K HN 1.486 nan 8.250 nan 0.000 0.452 62 S N -2.199 113.538 115.700 0.062 0.000 3.517 62 S HA 0.548 5.021 4.470 0.004 0.000 0.173 62 S C 2.329 176.946 174.600 0.027 0.000 0.785 62 S CA 1.582 59.826 58.200 0.073 0.000 0.932 62 S CB -0.730 62.500 63.200 0.050 0.000 1.213 62 S HN 1.788 nan 8.310 nan 0.000 0.772 63 A N 1.078 123.875 122.820 -0.040 0.000 2.040 63 A HA -0.295 4.027 4.320 0.004 0.000 0.232 63 A C 2.349 179.940 177.584 0.011 0.000 1.545 63 A CA 4.172 56.187 52.037 -0.037 0.000 0.720 63 A CB -1.780 17.187 19.000 -0.055 0.000 0.833 63 A HN 1.358 nan 8.150 nan 0.000 0.533 64 K N -2.033 118.381 120.400 0.024 0.000 2.044 64 K HA 0.212 4.534 4.320 0.004 0.000 0.204 64 K C 2.643 179.280 176.600 0.060 0.000 1.049 64 K CA 2.142 58.453 56.287 0.041 0.000 0.945 64 K CB -1.606 30.917 32.500 0.037 0.000 0.724 64 K HN 1.110 nan 8.250 nan 0.000 0.440 65 S N 1.036 116.776 115.700 0.067 0.000 2.357 65 S HA 0.294 4.766 4.470 0.004 0.000 0.221 65 S C 2.553 177.206 174.600 0.090 0.000 1.031 65 S CA 2.001 60.247 58.200 0.076 0.000 0.982 65 S CB -0.970 62.277 63.200 0.078 0.000 0.853 65 S HN 0.860 nan 8.310 nan 0.000 0.458 66 V N 1.423 121.399 119.914 0.103 0.000 2.220 66 V HA 0.111 4.233 4.120 0.004 0.000 0.242 66 V C 2.759 178.916 176.094 0.104 0.000 1.041 66 V CA 2.946 65.314 62.300 0.113 0.000 0.990 66 V CB -1.850 30.046 31.823 0.121 0.000 0.634 66 V HN 0.587 nan 8.190 nan 0.000 0.452 67 G N 0.452 109.301 108.800 0.082 0.000 2.884 67 G HA2 -0.515 3.447 3.960 0.004 0.000 0.262 67 G HA3 -0.515 3.447 3.960 0.004 0.000 0.262 67 G C 1.430 176.403 174.900 0.122 0.000 1.107 67 G CA 1.791 46.942 45.100 0.086 0.000 0.739 67 G HN 0.695 nan 8.290 nan 0.000 0.663 68 N N 0.765 119.538 118.700 0.122 0.000 2.120 68 N HA -0.067 4.675 4.740 0.004 0.000 0.188 68 N C 2.458 178.105 175.510 0.229 0.000 1.024 68 N CA 2.127 55.274 53.050 0.162 0.000 0.852 68 N CB -0.975 37.594 38.487 0.137 0.000 1.003 68 N HN 0.561 nan 8.380 nan 0.000 0.424 69 I N 0.422 121.101 120.570 0.181 0.000 2.179 69 I HA -0.005 4.167 4.170 0.004 0.000 0.242 69 I C 2.331 178.612 176.117 0.274 0.000 1.088 69 I CA 2.443 63.863 61.300 0.201 0.000 1.357 69 I CB -1.862 36.192 38.000 0.090 0.000 1.051 69 I HN 0.344 nan 8.210 nan 0.000 0.409 70 M N 0.759 120.488 119.600 0.215 0.000 2.729 70 M HA 0.650 5.133 4.480 0.004 0.000 0.229 70 M C 1.286 177.733 176.300 0.245 0.000 1.280 70 M CA 0.777 56.217 55.300 0.234 0.000 1.012 70 M CB -1.351 31.351 32.600 0.169 0.000 1.603 70 M HN 1.455 nan 8.290 nan 0.000 0.452 71 G N -1.348 107.632 108.800 0.299 0.000 4.260 71 G HA2 0.158 4.120 3.960 0.004 0.000 0.204 71 G HA3 0.158 4.120 3.960 0.004 0.000 0.204 71 G C 0.215 175.253 174.900 0.230 0.000 0.952 71 G CA 0.430 45.692 45.100 0.270 0.000 0.815 71 G HN 0.616 nan 8.290 nan 0.000 0.465 72 N N -0.789 118.082 118.700 0.285 0.000 2.036 72 N HA 0.315 5.057 4.740 0.004 0.000 0.228 72 N C -0.154 175.183 175.510 -0.288 0.000 1.368 72 N CA -0.075 52.973 53.050 -0.003 0.000 0.846 72 N CB 0.797 39.345 38.487 0.103 0.000 1.145 72 N HN 0.153 nan 8.380 nan 0.000 0.502 73 F N -1.239 118.958 119.950 0.410 0.000 3.196 73 F HA 0.238 4.767 4.527 0.004 0.000 0.379 73 F C -0.597 175.444 175.800 0.402 0.000 1.175 73 F CA -0.365 57.851 58.000 0.359 0.000 0.940 73 F CB 0.549 39.648 39.000 0.164 0.000 1.548 73 F HN -0.051 nan 8.300 nan 0.000 0.508 74 H N 0.096 119.391 119.070 0.375 0.000 3.287 74 H HA 0.322 4.881 4.556 0.004 0.000 0.329 74 H C -2.437 172.777 175.328 -0.190 0.000 1.130 74 H CA -1.547 54.549 56.048 0.080 0.000 1.593 74 H CB 1.897 31.757 29.762 0.162 0.000 1.916 74 H HN -0.246 nan 8.280 nan 0.000 0.503 75 P HA -0.185 nan 4.420 nan 0.000 0.214 75 P C 0.346 177.389 177.300 -0.428 0.000 1.163 75 P CA 1.242 63.801 63.100 -0.901 0.000 0.889 75 P CB 0.105 31.124 31.700 -1.135 0.000 0.790 76 H N -0.630 118.248 119.070 -0.321 0.000 2.901 76 H HA 0.027 4.585 4.556 0.004 0.000 0.392 76 H C 1.285 176.631 175.328 0.031 0.000 1.610 76 H CA 0.889 56.869 56.048 -0.114 0.000 1.459 76 H CB -0.574 29.134 29.762 -0.090 0.000 1.478 76 H HN 0.106 nan 8.280 nan 0.000 0.585 77 G N -1.305 107.604 108.800 0.181 0.000 2.651 77 G HA2 0.196 4.158 3.960 0.004 0.000 0.260 77 G HA3 0.196 4.158 3.960 0.004 0.000 0.260 77 G C 0.919 175.911 174.900 0.153 0.000 1.216 77 G CA 0.246 45.424 45.100 0.129 0.000 0.913 77 G HN 0.756 nan 8.290 nan 0.000 0.535 78 D N -1.080 119.387 120.400 0.110 0.000 2.091 78 D HA -0.101 4.542 4.640 0.004 0.000 0.199 78 D C 2.413 178.783 176.300 0.117 0.000 0.980 78 D CA 1.838 55.900 54.000 0.104 0.000 0.831 78 D CB -0.389 40.448 40.800 0.061 0.000 0.987 78 D HN 0.465 nan 8.370 nan 0.000 0.460 79 S N -0.981 114.783 115.700 0.107 0.000 2.603 79 S HA 0.242 4.715 4.470 0.004 0.000 0.220 79 S C 2.316 176.988 174.600 0.120 0.000 0.967 79 S CA 1.450 59.734 58.200 0.139 0.000 0.920 79 S CB -0.611 62.657 63.200 0.114 0.000 0.773 79 S HN 0.653 nan 8.310 nan 0.000 0.529 80 S N 1.518 117.278 115.700 0.100 0.000 2.368 80 S HA 0.060 4.532 4.470 0.004 0.000 0.224 80 S C 2.118 176.737 174.600 0.033 0.000 1.029 80 S CA 1.601 59.842 58.200 0.069 0.000 0.988 80 S CB -1.169 62.086 63.200 0.091 0.000 0.838 80 S HN 0.679 nan 8.310 nan 0.000 0.462 81 I N 0.557 121.156 120.570 0.048 0.000 2.072 81 I HA -0.044 4.128 4.170 0.004 0.000 0.235 81 I C 2.513 178.637 176.117 0.011 0.000 1.058 81 I CA 2.371 63.642 61.300 -0.048 0.000 1.320 81 I CB -1.715 36.293 38.000 0.013 0.000 1.047 81 I HN 0.681 nan 8.210 nan 0.000 0.397 82 Y N 0.935 121.217 120.300 -0.030 0.000 2.109 82 Y HA -0.226 4.327 4.550 0.004 0.000 0.285 82 Y C 2.417 178.306 175.900 -0.017 0.000 1.131 82 Y CA 2.405 60.495 58.100 -0.016 0.000 1.121 82 Y CB -0.667 37.799 38.460 0.010 0.000 0.987 82 Y HN 0.525 nan 8.280 nan 0.000 0.495 83 D N 0.427 120.889 120.400 0.102 0.000 2.653 83 D HA -0.410 4.232 4.640 0.004 0.000 0.199 83 D C 2.240 178.441 176.300 -0.165 0.000 1.042 83 D CA 2.514 56.494 54.000 -0.033 0.000 0.876 83 D CB -0.894 39.942 40.800 0.060 0.000 1.010 83 D HN 0.558 nan 8.370 nan 0.000 0.473 84 A N 0.423 123.177 122.820 -0.111 0.000 1.894 84 A HA -0.320 4.002 4.320 0.004 0.000 0.220 84 A C 2.417 179.886 177.584 -0.191 0.000 1.237 84 A CA 3.200 55.157 52.037 -0.133 0.000 0.660 84 A CB -1.104 17.826 19.000 -0.116 0.000 0.835 84 A HN 0.553 nan 8.150 nan 0.000 0.461 85 M N -0.544 118.921 119.600 -0.224 0.000 2.800 85 M HA -0.210 4.272 4.480 0.004 0.000 0.271 85 M C 2.209 178.331 176.300 -0.297 0.000 1.059 85 M CA 3.293 58.448 55.300 -0.242 0.000 1.071 85 M CB -0.882 31.575 32.600 -0.238 0.000 1.227 85 M HN 0.616 nan 8.290 nan 0.000 0.505 86 V N -0.166 119.449 119.914 -0.497 0.000 2.308 86 V HA -0.513 3.609 4.120 0.004 0.000 0.251 86 V C 2.354 178.298 176.094 -0.249 0.000 1.055 86 V CA 5.211 67.281 62.300 -0.382 0.000 1.105 86 V CB -2.491 29.072 31.823 -0.433 0.000 0.785 86 V HN 0.803 nan 8.190 nan 0.000 0.479 87 R N -1.524 118.834 120.500 -0.238 0.000 2.224 87 R HA -0.231 4.112 4.340 0.004 0.000 0.255 87 R C 2.656 178.825 176.300 -0.219 0.000 1.130 87 R CA 4.793 60.760 56.100 -0.222 0.000 0.957 87 R CB -1.935 28.258 30.300 -0.178 0.000 0.907 87 R HN 2.120 nan 8.270 nan 0.000 0.446 88 M N 0.076 119.569 119.600 -0.178 0.000 2.632 88 M HA 0.403 4.885 4.480 0.004 0.000 0.256 88 M C 2.696 178.917 176.300 -0.133 0.000 1.080 88 M CA 2.439 57.652 55.300 -0.144 0.000 1.084 88 M CB -1.673 30.858 32.600 -0.116 0.000 1.439 88 M HN 0.960 nan 8.290 nan 0.000 0.509 89 S N 0.055 115.668 115.700 -0.146 0.000 2.446 89 S HA 0.379 4.851 4.470 0.004 0.000 0.225 89 S C 1.532 176.055 174.600 -0.129 0.000 1.016 89 S CA 0.918 59.059 58.200 -0.099 0.000 0.943 89 S CB -0.451 62.708 63.200 -0.068 0.000 0.786 89 S HN 1.157 nan 8.310 nan 0.000 0.508 90 Q N 2.564 122.205 119.800 -0.265 0.000 2.381 90 Q HA 0.410 4.753 4.340 0.004 0.000 0.243 90 Q C 0.687 176.415 176.000 -0.452 0.000 1.154 90 Q CA -0.140 55.350 55.803 -0.521 0.000 0.899 90 Q CB -0.846 27.326 28.738 -0.943 0.000 1.396 90 Q HN 0.757 nan 8.270 nan 0.000 0.485 91 N N 0.790 119.377 118.700 -0.187 0.000 2.453 91 N HA -0.132 4.610 4.740 0.004 0.000 0.183 91 N C 0.905 176.434 175.510 0.032 0.000 1.041 91 N CA 1.234 54.261 53.050 -0.038 0.000 0.900 91 N CB 0.018 38.547 38.487 0.070 0.000 0.961 91 N HN 0.932 nan 8.380 nan 0.000 0.443 92 W N -1.494 119.814 121.300 0.014 0.000 3.305 92 W HA 0.538 5.200 4.660 0.004 0.000 0.392 92 W C 0.732 177.268 176.519 0.028 0.000 1.121 92 W CA -0.069 57.289 57.345 0.023 0.000 1.909 92 W CB -0.861 28.610 29.460 0.018 0.000 1.065 92 W HN 0.239 nan 8.180 nan 0.000 0.714 93 K N 0.248 120.491 120.400 -0.261 0.000 2.511 93 K HA 0.193 4.516 4.320 0.004 0.000 0.206 93 K C 0.534 177.072 176.600 -0.105 0.000 1.333 93 K CA 0.984 57.143 56.287 -0.214 0.000 0.957 93 K CB -0.710 31.532 32.500 -0.430 0.000 1.172 93 K HN 0.252 nan 8.250 nan 0.000 0.547 94 N N -0.328 118.304 118.700 -0.114 0.000 2.741 94 N HA 0.613 5.355 4.740 0.004 0.000 0.310 94 N C 1.361 176.847 175.510 -0.040 0.000 1.295 94 N CA 0.463 53.468 53.050 -0.075 0.000 0.893 94 N CB 0.700 39.131 38.487 -0.094 0.000 1.247 94 N HN 0.637 nan 8.380 nan 0.000 0.596 95 R N -0.902 119.570 120.500 -0.046 0.000 2.039 95 R HA 0.578 4.920 4.340 0.004 0.000 0.218 95 R C 1.402 177.686 176.300 -0.026 0.000 1.220 95 R CA 1.720 57.800 56.100 -0.034 0.000 0.993 95 R CB -1.440 28.829 30.300 -0.052 0.000 0.881 95 R HN 1.206 nan 8.270 nan 0.000 0.450 96 E N 0.679 120.858 120.200 -0.035 0.000 2.014 96 E HA 0.664 5.016 4.350 0.004 0.000 0.275 96 E C 0.232 176.808 176.600 -0.040 0.000 0.997 96 E CA -0.128 56.254 56.400 -0.030 0.000 0.804 96 E CB -0.686 28.997 29.700 -0.029 0.000 1.090 96 E HN 1.230 nan 8.360 nan 0.000 0.401 97 I N 1.080 121.627 120.570 -0.039 0.000 2.821 97 I HA 0.436 4.608 4.170 0.004 0.000 0.294 97 I C 1.764 177.852 176.117 -0.049 0.000 1.210 97 I CA 0.925 62.193 61.300 -0.052 0.000 1.430 97 I CB -0.377 37.597 38.000 -0.043 0.000 1.356 97 I HN 1.296 nan 8.210 nan 0.000 0.563 98 L N 4.633 125.821 121.223 -0.058 0.000 2.592 98 L HA 0.778 5.120 4.340 0.004 0.000 0.227 98 L C 0.724 177.561 176.870 -0.055 0.000 1.127 98 L CA 1.081 55.889 54.840 -0.053 0.000 0.884 98 L CB -1.541 40.486 42.059 -0.052 0.000 1.065 98 L HN 2.374 nan 8.230 nan 0.000 0.457 99 V N -1.897 117.984 119.914 -0.055 0.000 2.852 99 V HA 0.770 4.892 4.120 0.004 0.000 0.300 99 V C -0.411 175.665 176.094 -0.031 0.000 1.205 99 V CA -0.173 62.098 62.300 -0.049 0.000 0.940 99 V CB 1.066 32.858 31.823 -0.051 0.000 1.047 99 V HN 0.620 nan 8.190 nan 0.000 0.429 100 E N 3.412 123.599 120.200 -0.022 0.000 2.109 100 E HA 0.939 5.291 4.350 0.004 0.000 0.278 100 E C -0.153 176.516 176.600 0.115 0.000 0.954 100 E CA 0.161 56.579 56.400 0.029 0.000 0.779 100 E CB 1.414 31.120 29.700 0.010 0.000 1.093 100 E HN 2.541 nan 8.360 nan 0.000 0.401 101 M N -0.116 119.571 119.600 0.145 0.000 2.705 101 M HA 0.933 5.415 4.480 0.004 0.000 0.272 101 M C 0.529 176.961 176.300 0.221 0.000 1.172 101 M CA -0.055 55.374 55.300 0.216 0.000 0.901 101 M CB 0.707 33.382 32.600 0.126 0.000 1.516 101 M HN 1.800 nan 8.290 nan 0.000 0.530 102 H N -0.854 118.291 119.070 0.124 0.000 3.224 102 H HA 0.676 5.234 4.556 0.004 0.000 0.331 102 H C 0.718 176.050 175.328 0.008 0.000 1.002 102 H CA -0.728 55.333 56.048 0.022 0.000 1.473 102 H CB 0.556 30.231 29.762 -0.145 0.000 1.830 102 H HN 2.796 nan 8.280 nan 0.000 0.485 103 G N 0.419 109.240 108.800 0.035 0.000 2.694 103 G HA2 0.357 4.319 3.960 0.004 0.000 0.247 103 G HA3 0.357 4.319 3.960 0.004 0.000 0.247 103 G C -0.133 174.791 174.900 0.041 0.000 0.989 103 G CA 0.498 45.614 45.100 0.026 0.000 1.252 103 G HN 2.093 nan 8.290 nan 0.000 0.483 104 N N -0.268 118.466 118.700 0.057 0.000 2.491 104 N HA 0.884 5.627 4.740 0.004 0.000 0.274 104 N C 1.005 176.570 175.510 0.093 0.000 1.023 104 N CA 0.865 53.950 53.050 0.058 0.000 0.902 104 N CB 0.643 39.149 38.487 0.032 0.000 1.267 104 N HN 1.559 nan 8.380 nan 0.000 0.503 105 N N 0.250 119.016 118.700 0.110 0.000 2.006 105 N HA 0.394 5.136 4.740 0.004 0.000 0.196 105 N C 1.235 176.849 175.510 0.172 0.000 1.057 105 N CA 1.797 54.924 53.050 0.128 0.000 0.853 105 N CB -0.239 38.340 38.487 0.153 0.000 1.051 105 N HN 1.903 nan 8.380 nan 0.000 0.423 106 G N -3.709 105.251 108.800 0.267 0.000 2.378 106 G HA2 0.647 4.610 3.960 0.004 0.000 0.302 106 G HA3 0.647 4.610 3.960 0.004 0.000 0.302 106 G C -0.464 174.634 174.900 0.330 0.000 1.669 106 G CA 0.348 45.643 45.100 0.325 0.000 0.920 106 G HN 1.106 nan 8.290 nan 0.000 0.697 107 S N -0.145 115.607 115.700 0.087 0.000 2.593 107 S HA 0.682 5.154 4.470 0.004 0.000 0.269 107 S C 2.175 176.427 174.600 -0.580 0.000 1.334 107 S CA 0.885 58.976 58.200 -0.183 0.000 1.015 107 S CB 0.422 63.551 63.200 -0.119 0.000 0.912 107 S HN 2.321 nan 8.310 nan 0.000 0.541 108 M N 0.443 119.515 119.600 -0.880 0.000 2.435 108 M HA 0.282 4.764 4.480 0.004 0.000 0.262 108 M C 0.904 176.976 176.300 -0.379 0.000 1.065 108 M CA 2.334 57.084 55.300 -0.916 0.000 1.076 108 M CB -2.116 30.119 32.600 -0.608 0.000 1.403 108 M HN 1.058 nan 8.290 nan 0.000 0.454 109 D N -0.712 119.544 120.400 -0.240 0.000 2.442 109 D HA 0.594 5.237 4.640 0.004 0.000 0.254 109 D C 0.827 177.108 176.300 -0.032 0.000 1.069 109 D CA -0.299 53.640 54.000 -0.101 0.000 1.017 109 D CB 0.382 41.130 40.800 -0.087 0.000 1.172 109 D HN 0.993 nan 8.370 nan 0.000 0.561 110 G N -0.641 108.157 108.800 -0.003 0.000 2.444 110 G HA2 0.428 4.391 3.960 0.004 0.000 0.289 110 G HA3 0.428 4.391 3.960 0.004 0.000 0.289 110 G C 0.092 175.007 174.900 0.024 0.000 0.814 110 G CA 0.907 46.021 45.100 0.024 0.000 1.820 110 G HN 1.006 nan 8.290 nan 0.000 0.453 111 D N 4.250 124.680 120.400 0.049 0.000 2.438 111 D HA 0.551 5.194 4.640 0.004 0.000 0.257 111 D C -2.482 173.862 176.300 0.074 0.000 1.148 111 D CA -1.545 52.485 54.000 0.049 0.000 0.902 111 D CB 0.744 41.571 40.800 0.045 0.000 1.062 111 D HN 0.262 nan 8.370 nan 0.000 0.518 112 P HA 0.215 nan 4.420 nan 0.000 0.257 112 P C -2.228 175.114 177.300 0.070 0.000 1.189 112 P CA -0.454 62.684 63.100 0.064 0.000 0.780 112 P CB 0.255 31.983 31.700 0.046 0.000 0.772 113 P HA 0.265 nan 4.420 nan 0.000 0.272 113 P C -0.581 176.799 177.300 0.132 0.000 1.240 113 P CA -0.407 62.761 63.100 0.113 0.000 0.791 113 P CB 0.662 32.439 31.700 0.127 0.000 0.978 114 A N 1.088 123.993 122.820 0.142 0.000 2.304 114 A HA 0.622 4.945 4.320 0.004 0.000 0.301 114 A C 0.515 178.238 177.584 0.232 0.000 1.132 114 A CA -0.209 51.918 52.037 0.149 0.000 0.819 114 A CB 0.057 19.092 19.000 0.058 0.000 1.094 114 A HN 0.655 nan 8.150 nan 0.000 0.492 115 A N 0.780 123.723 122.820 0.206 0.000 2.339 115 A HA 0.376 4.699 4.320 0.004 0.000 0.272 115 A C 1.784 179.284 177.584 -0.140 0.000 1.182 115 A CA 1.049 53.101 52.037 0.025 0.000 0.819 115 A CB -0.563 18.451 19.000 0.024 0.000 1.115 115 A HN 2.167 nan 8.150 nan 0.000 0.512 116 M N -0.737 118.619 119.600 -0.407 0.000 2.549 116 M HA 0.137 4.619 4.480 0.004 0.000 0.260 116 M C 2.256 178.437 176.300 -0.199 0.000 1.076 116 M CA 2.615 57.661 55.300 -0.423 0.000 1.090 116 M CB -2.558 29.782 32.600 -0.434 0.000 1.418 116 M HN 1.240 nan 8.290 nan 0.000 0.486 117 R N -0.927 119.449 120.500 -0.207 0.000 2.120 117 R HA -0.054 4.289 4.340 0.004 0.000 0.234 117 R C 1.835 177.899 176.300 -0.393 0.000 1.123 117 R CA 2.257 58.140 56.100 -0.361 0.000 0.975 117 R CB -1.328 28.622 30.300 -0.584 0.000 0.866 117 R HN 0.887 nan 8.270 nan 0.000 0.446 118 Y N -0.414 119.873 120.300 -0.021 0.000 2.569 118 Y HA 0.374 4.926 4.550 0.004 0.000 0.278 118 Y C 2.217 178.132 175.900 0.026 0.000 1.130 118 Y CA 0.100 58.202 58.100 0.005 0.000 1.280 118 Y CB -0.473 37.995 38.460 0.013 0.000 1.379 118 Y HN 0.400 nan 8.280 nan 0.000 0.508 119 T N 1.225 115.917 114.554 0.230 0.000 2.906 119 T HA 0.405 4.757 4.350 0.004 0.000 0.329 119 T C 0.112 174.906 174.700 0.157 0.000 1.091 119 T CA 0.913 63.134 62.100 0.202 0.000 1.127 119 T CB -0.301 68.752 68.868 0.307 0.000 1.035 119 T HN 0.382 nan 8.240 nan 0.000 0.547 120 E N -0.526 119.762 120.200 0.146 0.000 2.290 120 E HA 0.779 5.131 4.350 0.004 0.000 0.274 120 E C -0.602 176.155 176.600 0.261 0.000 0.889 120 E CA -0.345 56.153 56.400 0.163 0.000 0.760 120 E CB 1.250 31.013 29.700 0.105 0.000 1.206 120 E HN 1.895 nan 8.360 nan 0.000 0.419 121 A N 1.461 124.451 122.820 0.282 0.000 2.568 121 A HA 1.048 5.370 4.320 0.004 0.000 0.291 121 A C -0.551 177.103 177.584 0.116 0.000 1.159 121 A CA -0.133 52.075 52.037 0.286 0.000 0.679 121 A CB 1.451 20.555 19.000 0.173 0.000 1.285 121 A HN 1.499 nan 8.150 nan 0.000 0.428 122 R N -2.090 118.395 120.500 -0.024 0.000 2.741 122 R HA 0.729 5.072 4.340 0.004 0.000 0.276 122 R C -0.766 175.465 176.300 -0.115 0.000 1.028 122 R CA -0.413 55.623 56.100 -0.107 0.000 0.865 122 R CB 0.478 30.635 30.300 -0.237 0.000 1.268 122 R HN 1.765 nan 8.270 nan 0.000 0.475 123 L N 0.414 121.575 121.223 -0.102 0.000 2.461 123 L HA 0.683 5.025 4.340 0.004 0.000 0.272 123 L C 0.822 177.635 176.870 -0.095 0.000 1.197 123 L CA 0.440 55.229 54.840 -0.085 0.000 0.836 123 L CB -0.327 41.686 42.059 -0.077 0.000 1.105 123 L HN 1.042 nan 8.230 nan 0.000 0.477 124 S N 0.414 116.070 115.700 -0.073 0.000 2.654 124 S HA 0.643 5.115 4.470 0.004 0.000 0.283 124 S C 1.190 175.757 174.600 -0.055 0.000 1.180 124 S CA 0.375 58.536 58.200 -0.065 0.000 1.021 124 S CB 0.374 63.545 63.200 -0.049 0.000 1.018 124 S HN 1.677 nan 8.310 nan 0.000 0.532 125 E N 1.126 121.297 120.200 -0.047 0.000 1.997 125 E HA 0.039 4.391 4.350 0.004 0.000 0.201 125 E C 2.454 179.034 176.600 -0.033 0.000 1.011 125 E CA 2.875 59.252 56.400 -0.039 0.000 0.847 125 E CB -2.014 27.667 29.700 -0.030 0.000 0.787 125 E HN 1.820 nan 8.360 nan 0.000 0.472 126 I N 1.507 122.061 120.570 -0.027 0.000 2.188 126 I HA -0.131 4.041 4.170 0.004 0.000 0.246 126 I C 3.057 179.157 176.117 -0.027 0.000 1.033 126 I CA 4.263 65.549 61.300 -0.024 0.000 1.307 126 I CB -1.904 36.082 38.000 -0.023 0.000 1.005 126 I HN 0.861 nan 8.210 nan 0.000 0.421 127 A N 0.406 123.206 122.820 -0.034 0.000 1.884 127 A HA -0.058 4.264 4.320 0.004 0.000 0.219 127 A C 2.956 180.518 177.584 -0.038 0.000 1.197 127 A CA 3.079 55.093 52.037 -0.038 0.000 0.637 127 A CB -1.819 17.152 19.000 -0.047 0.000 0.827 127 A HN 1.667 nan 8.150 nan 0.000 0.450 128 G N -1.744 107.031 108.800 -0.042 0.000 2.631 128 G HA2 -0.305 3.657 3.960 0.004 0.000 0.219 128 G HA3 -0.305 3.657 3.960 0.004 0.000 0.219 128 G C 1.684 176.565 174.900 -0.032 0.000 1.214 128 G CA 3.366 48.440 45.100 -0.042 0.000 0.785 128 G HN 1.291 nan 8.290 nan 0.000 0.596 129 Y N -0.252 120.034 120.300 -0.023 0.000 2.066 129 Y HA -0.212 4.341 4.550 0.004 0.000 0.235 129 Y C 3.617 179.512 175.900 -0.008 0.000 1.262 129 Y CA 4.248 62.342 58.100 -0.011 0.000 1.032 129 Y CB -1.405 37.053 38.460 -0.004 0.000 0.832 129 Y HN 0.901 nan 8.280 nan 0.000 0.520 130 L N -0.073 121.146 121.223 -0.007 0.000 2.191 130 L HA 0.328 4.670 4.340 0.004 0.000 0.212 130 L C 2.760 179.622 176.870 -0.014 0.000 1.103 130 L CA 2.698 57.537 54.840 -0.002 0.000 0.769 130 L CB -1.824 40.236 42.059 0.001 0.000 0.908 130 L HN 1.642 nan 8.230 nan 0.000 0.438 131 L N -1.298 119.909 121.223 -0.027 0.000 2.791 131 L HA 0.707 5.049 4.340 0.004 0.000 0.239 131 L C 1.694 178.540 176.870 -0.041 0.000 1.203 131 L CA 0.941 55.757 54.840 -0.040 0.000 1.002 131 L CB -1.725 40.291 42.059 -0.071 0.000 1.295 131 L HN 0.900 nan 8.230 nan 0.000 0.504 132 Q N -0.391 119.392 119.800 -0.028 0.000 3.122 132 Q HA 0.488 4.830 4.340 0.004 0.000 0.360 132 Q C 0.498 176.487 176.000 -0.020 0.000 1.300 132 Q CA 1.030 56.817 55.803 -0.027 0.000 0.982 132 Q CB -0.781 27.945 28.738 -0.021 0.000 1.534 132 Q HN 1.718 nan 8.270 nan 0.000 0.474 133 D N -2.295 118.095 120.400 -0.018 0.000 4.408 133 D HA 0.161 4.803 4.640 0.004 0.000 0.123 133 D C 1.265 177.572 176.300 0.011 0.000 0.416 133 D CA 0.585 54.581 54.000 -0.008 0.000 0.588 133 D CB -1.993 38.802 40.800 -0.009 0.000 1.647 133 D HN 1.202 nan 8.370 nan 0.000 0.050 134 I N -0.174 120.409 120.570 0.021 0.000 2.530 134 I HA 0.307 4.479 4.170 0.004 0.000 0.257 134 I C 2.774 178.922 176.117 0.051 0.000 1.179 134 I CA 3.329 64.676 61.300 0.078 0.000 1.440 134 I CB -1.922 36.133 38.000 0.093 0.000 1.087 134 I HN 1.056 nan 8.210 nan 0.000 0.440 135 E N 0.837 121.038 120.200 0.001 0.000 2.095 135 E HA -0.231 4.121 4.350 0.004 0.000 0.212 135 E C 1.791 178.384 176.600 -0.013 0.000 1.044 135 E CA 3.060 59.450 56.400 -0.016 0.000 0.857 135 E CB -1.325 28.361 29.700 -0.023 0.000 0.764 135 E HN 1.340 nan 8.360 nan 0.000 0.462 136 K N 0.322 120.718 120.400 -0.006 0.000 2.399 136 K HA 0.511 4.834 4.320 0.004 0.000 0.247 136 K C 0.623 177.223 176.600 -0.000 0.000 1.036 136 K CA 0.151 56.431 56.287 -0.012 0.000 0.977 136 K CB 0.018 32.511 32.500 -0.012 0.000 1.272 136 K HN 0.308 nan 8.250 nan 0.000 0.501 137 K N 1.919 122.311 120.400 -0.013 0.000 3.245 137 K HA 0.098 4.420 4.320 0.004 0.000 0.285 137 K C 1.466 178.078 176.600 0.020 0.000 1.156 137 K CA 0.495 56.781 56.287 -0.000 0.000 1.162 137 K CB -1.423 31.063 32.500 -0.024 0.000 1.365 137 K HN 0.831 nan 8.250 nan 0.000 0.316 138 T N 0.835 115.410 114.554 0.035 0.000 2.571 138 T HA 0.009 4.362 4.350 0.004 0.000 0.225 138 T C 1.235 175.961 174.700 0.043 0.000 1.319 138 T CA 1.517 63.635 62.100 0.029 0.000 1.602 138 T CB -0.498 68.386 68.868 0.026 0.000 0.979 138 T HN 0.253 nan 8.240 nan 0.000 0.379 139 V N 1.920 121.871 119.914 0.061 0.000 3.096 139 V HA 0.476 4.598 4.120 0.004 0.000 0.306 139 V C -2.161 173.988 176.094 0.091 0.000 1.088 139 V CA -1.312 61.016 62.300 0.046 0.000 1.129 139 V CB -0.515 31.320 31.823 0.021 0.000 1.014 139 V HN 0.502 nan 8.190 nan 0.000 0.486 140 P HA 0.506 nan 4.420 nan 0.000 0.281 140 P C -1.256 176.090 177.300 0.077 0.000 1.252 140 P CA 0.334 63.472 63.100 0.063 0.000 0.778 140 P CB 0.447 32.157 31.700 0.017 0.000 0.895 141 F N 2.070 121.987 119.950 -0.054 0.000 2.547 141 F HA 0.659 5.188 4.527 0.003 0.000 0.316 141 F C -0.122 175.606 175.800 -0.120 0.000 1.121 141 F CA -0.444 57.517 58.000 -0.065 0.000 0.911 141 F CB 1.518 40.481 39.000 -0.061 0.000 1.179 141 F HN 0.335 nan 8.300 nan 0.000 0.443 142 A N 4.396 127.288 122.820 0.120 0.000 2.464 142 A HA 0.601 4.924 4.320 0.004 0.000 0.268 142 A C -1.471 176.165 177.584 0.087 0.000 1.244 142 A CA -0.674 51.395 52.037 0.053 0.000 0.871 142 A CB 0.870 19.905 19.000 0.058 0.000 1.400 142 A HN 0.762 nan 8.150 nan 0.000 0.455 143 W N -0.590 120.760 121.300 0.083 0.000 2.332 143 W HA 0.460 5.123 4.660 0.004 0.000 0.351 143 W C 0.845 177.363 176.519 -0.001 0.000 1.195 143 W CA 0.146 57.517 57.345 0.043 0.000 1.334 143 W CB 0.347 29.812 29.460 0.008 0.000 1.206 143 W HN 1.088 nan 8.180 nan 0.000 0.637 144 N N 0.904 119.741 118.700 0.227 0.000 2.235 144 N HA 0.069 4.812 4.740 0.004 0.000 0.231 144 N C 0.483 176.010 175.510 0.028 0.000 1.330 144 N CA 0.914 53.946 53.050 -0.030 0.000 0.898 144 N CB -0.028 38.285 38.487 -0.291 0.000 1.151 144 N HN 0.382 nan 8.380 nan 0.000 0.472 145 F N -2.830 117.080 119.950 -0.068 0.000 2.179 145 F HA 0.216 4.745 4.527 0.003 0.000 0.292 145 F C 2.306 178.055 175.800 -0.085 0.000 1.089 145 F CA 1.256 59.217 58.000 -0.066 0.000 1.295 145 F CB -0.609 38.344 39.000 -0.077 0.000 1.041 145 F HN 0.446 nan 8.300 nan 0.000 0.487 146 D N -0.162 119.654 120.400 -0.973 0.000 2.378 146 D HA -0.042 4.600 4.640 0.004 0.000 0.222 146 D C 0.555 176.642 176.300 -0.354 0.000 0.980 146 D CA 1.030 54.659 54.000 -0.618 0.000 0.907 146 D CB -1.009 39.314 40.800 -0.794 0.000 0.899 146 D HN 0.437 nan 8.370 nan 0.000 0.527 147 D N -1.389 118.832 120.400 -0.299 0.000 2.800 147 D HA -0.162 4.481 4.640 0.004 0.000 0.232 147 D C 1.638 177.842 176.300 -0.160 0.000 1.137 147 D CA 1.472 55.338 54.000 -0.224 0.000 0.718 147 D CB -1.933 38.676 40.800 -0.319 0.000 1.084 147 D HN 0.685 nan 8.370 nan 0.000 0.432 148 T N -4.313 110.125 114.554 -0.193 0.000 3.031 148 T HA 0.397 4.749 4.350 0.004 0.000 0.236 148 T C 1.176 175.837 174.700 -0.065 0.000 1.005 148 T CA 0.946 62.950 62.100 -0.159 0.000 1.230 148 T CB -0.048 68.667 68.868 -0.255 0.000 0.913 148 T HN 0.402 nan 8.240 nan 0.000 0.419 149 E N 1.433 121.556 120.200 -0.128 0.000 3.262 149 E HA 0.753 5.105 4.350 0.004 0.000 0.257 149 E C -0.016 176.632 176.600 0.081 0.000 1.195 149 E CA -0.407 55.988 56.400 -0.009 0.000 1.160 149 E CB -0.292 29.409 29.700 0.001 0.000 1.416 149 E HN 0.957 nan 8.360 nan 0.000 0.630 150 K N -1.410 119.097 120.400 0.178 0.000 2.400 150 K HA 0.834 5.156 4.320 0.004 0.000 0.246 150 K C -0.105 176.801 176.600 0.509 0.000 0.995 150 K CA -0.013 56.436 56.287 0.270 0.000 0.840 150 K CB 0.973 33.552 32.500 0.131 0.000 1.293 150 K HN 1.344 nan 8.250 nan 0.000 0.445 151 E N 1.177 121.547 120.200 0.284 0.000 2.288 151 E HA 0.720 5.073 4.350 0.004 0.000 0.268 151 E C -2.975 172.959 176.600 -1.111 0.000 0.885 151 E CA -2.058 54.200 56.400 -0.236 0.000 0.767 151 E CB 1.513 31.199 29.700 -0.023 0.000 1.220 151 E HN 0.507 nan 8.360 nan 0.000 0.427 152 P HA 0.353 nan 4.420 nan 0.000 0.276 152 P C -0.067 176.959 177.300 -0.457 0.000 1.230 152 P CA 0.434 62.887 63.100 -1.078 0.000 0.776 152 P CB 1.279 32.625 31.700 -0.590 0.000 0.888 153 T N 1.392 115.776 114.554 -0.283 0.000 3.629 153 T HA 0.537 4.889 4.350 0.004 0.000 0.317 153 T C 0.424 175.065 174.700 -0.098 0.000 1.690 153 T CA -0.176 61.840 62.100 -0.139 0.000 1.276 153 T CB -1.357 67.462 68.868 -0.082 0.000 1.205 153 T HN 0.621 nan 8.240 nan 0.000 0.824 154 V N -0.337 119.520 119.914 -0.095 0.000 3.148 154 V HA 0.378 4.500 4.120 0.004 0.000 0.443 154 V C 0.602 176.662 176.094 -0.057 0.000 0.681 154 V CA -0.459 61.803 62.300 -0.062 0.000 1.967 154 V CB -2.331 29.462 31.823 -0.050 0.000 2.445 154 V HN 2.060 nan 8.190 nan 0.000 0.490 155 L N 4.473 125.673 121.223 -0.037 0.000 2.586 155 L HA 0.468 4.810 4.340 0.004 0.000 0.307 155 L C 0.193 177.044 176.870 -0.032 0.000 1.274 155 L CA 1.065 55.896 54.840 -0.015 0.000 0.857 155 L CB -0.849 41.210 42.059 0.000 0.000 1.099 155 L HN 0.943 nan 8.230 nan 0.000 0.525 156 P HA 0.328 nan 4.420 nan 0.000 0.226 156 P C 0.499 177.752 177.300 -0.078 0.000 1.161 156 P CA 0.983 64.046 63.100 -0.060 0.000 0.804 156 P CB 0.005 31.682 31.700 -0.038 0.000 0.829 157 A N -0.578 122.223 122.820 -0.031 0.000 1.574 157 A HA -0.006 4.316 4.320 0.004 0.000 0.304 157 A C 1.388 178.996 177.584 0.039 0.000 0.927 157 A CA 0.222 52.265 52.037 0.009 0.000 0.514 157 A CB -1.628 17.397 19.000 0.041 0.000 1.812 157 A HN 0.339 nan 8.150 nan 0.000 0.245 158 A N 4.157 127.008 122.820 0.051 0.000 1.832 158 A HA 0.395 4.718 4.320 0.004 0.000 0.214 158 A C 1.760 179.434 177.584 0.150 0.000 1.200 158 A CA 2.110 54.198 52.037 0.085 0.000 0.610 158 A CB -0.732 18.292 19.000 0.040 0.000 0.842 158 A HN 2.500 nan 8.150 nan 0.000 0.444 159 F N 0.617 120.618 119.950 0.084 0.000 2.533 159 F HA 0.486 5.015 4.527 0.004 0.000 0.378 159 F C -1.882 173.960 175.800 0.070 0.000 1.070 159 F CA -1.829 56.199 58.000 0.047 0.000 1.172 159 F CB -0.960 38.046 39.000 0.010 0.000 1.085 159 F HN 0.191 nan 8.300 nan 0.000 0.552 160 P HA 0.106 nan 4.420 nan 0.000 0.238 160 P C 1.320 178.578 177.300 -0.070 0.000 1.649 160 P CA 1.190 64.183 63.100 -0.178 0.000 0.960 160 P CB -0.912 30.445 31.700 -0.572 0.000 1.911 161 N N 0.323 119.034 118.700 0.019 0.000 2.396 161 N HA -0.258 4.484 4.740 0.004 0.000 0.191 161 N C 1.810 177.307 175.510 -0.021 0.000 1.015 161 N CA 1.921 54.966 53.050 -0.008 0.000 0.893 161 N CB -1.245 37.245 38.487 0.006 0.000 0.956 161 N HN 0.301 nan 8.380 nan 0.000 0.445 162 L N -1.146 120.074 121.223 -0.005 0.000 2.072 162 L HA 0.577 4.919 4.340 0.004 0.000 0.205 162 L C 3.085 179.928 176.870 -0.046 0.000 1.079 162 L CA 2.300 57.136 54.840 -0.007 0.000 0.752 162 L CB -1.518 40.565 42.059 0.039 0.000 0.906 162 L HN 0.967 nan 8.230 nan 0.000 0.436 163 L N -1.649 119.525 121.223 -0.083 0.000 2.640 163 L HA 0.743 5.085 4.340 0.004 0.000 0.230 163 L C 2.331 179.137 176.870 -0.107 0.000 1.123 163 L CA 1.388 56.170 54.840 -0.095 0.000 0.900 163 L CB -1.083 40.910 42.059 -0.111 0.000 1.146 163 L HN 0.705 nan 8.230 nan 0.000 0.484 164 V N -1.644 118.210 119.914 -0.100 0.000 3.590 164 V HA 0.306 4.428 4.120 0.004 0.000 0.265 164 V C 0.884 176.921 176.094 -0.094 0.000 1.239 164 V CA 0.759 63.000 62.300 -0.098 0.000 1.117 164 V CB -0.162 31.611 31.823 -0.084 0.000 0.818 164 V HN 0.644 nan 8.190 nan 0.000 0.451 177 D N -0.153 120.255 120.400 0.013 0.000 2.646 177 D HA 1.001 5.643 4.640 0.004 0.000 0.245 177 D C -0.056 176.252 176.300 0.014 0.000 1.099 177 D CA -0.004 54.006 54.000 0.016 0.000 0.849 177 D CB 1.507 42.324 40.800 0.028 0.000 1.448 177 D HN 1.795 nan 8.370 nan 0.000 0.489 178 I N 0.663 121.236 120.570 0.005 0.000 2.439 178 I HA 0.762 4.935 4.170 0.004 0.000 0.283 178 I C -2.864 173.235 176.117 -0.029 0.000 1.023 178 I CA -2.290 59.003 61.300 -0.011 0.000 1.100 178 I CB 1.436 39.424 38.000 -0.020 0.000 1.238 178 I HN 0.392 nan 8.210 nan 0.000 0.445 179 P HA 0.515 nan 4.420 nan 0.000 0.276 179 P C -2.648 174.508 177.300 -0.239 0.000 1.235 179 P CA -1.252 61.779 63.100 -0.114 0.000 0.772 179 P CB 0.110 31.762 31.700 -0.079 0.000 0.871 180 P HA 0.066 nan 4.420 nan 0.000 0.268 180 P C 0.264 177.352 177.300 -0.354 0.000 1.189 180 P CA 1.044 63.939 63.100 -0.341 0.000 0.771 180 P CB 0.137 31.588 31.700 -0.414 0.000 0.822 181 H N -1.752 117.186 119.070 -0.220 0.000 4.181 181 H HA 0.683 5.241 4.556 0.004 0.000 0.406 181 H C -0.517 174.741 175.328 -0.115 0.000 1.526 181 H CA -0.115 55.832 56.048 -0.169 0.000 1.012 181 H CB 0.710 30.395 29.762 -0.127 0.000 1.221 181 H HN 0.480 nan 8.280 nan 0.000 0.765 182 N N -1.016 117.636 118.700 -0.081 0.000 2.371 182 N HA 0.476 5.218 4.740 0.004 0.000 0.291 182 N C 1.582 177.061 175.510 -0.052 0.000 1.053 182 N CA 0.836 53.853 53.050 -0.056 0.000 0.870 182 N CB 0.643 39.109 38.487 -0.035 0.000 1.503 182 N HN 1.565 nan 8.380 nan 0.000 0.485 183 L N 1.713 122.905 121.223 -0.050 0.000 2.198 183 L HA -0.116 4.226 4.340 0.004 0.000 0.218 183 L C 2.951 179.795 176.870 -0.045 0.000 1.084 183 L CA 3.362 58.171 54.840 -0.052 0.000 0.779 183 L CB -2.310 39.726 42.059 -0.038 0.000 0.890 183 L HN 1.047 nan 8.230 nan 0.000 0.439 184 A N -0.931 121.873 122.820 -0.028 0.000 1.840 184 A HA 0.080 4.402 4.320 0.004 0.000 0.214 184 A C 2.516 180.098 177.584 -0.004 0.000 1.198 184 A CA 2.535 54.564 52.037 -0.013 0.000 0.608 184 A CB -1.118 17.881 19.000 -0.001 0.000 0.839 184 A HN 1.151 nan 8.150 nan 0.000 0.443 185 E N -0.521 119.679 120.200 0.001 0.000 2.130 185 E HA -0.030 4.322 4.350 0.004 0.000 0.196 185 E C 2.183 178.774 176.600 -0.014 0.000 0.998 185 E CA 2.311 58.725 56.400 0.023 0.000 0.806 185 E CB -1.617 28.092 29.700 0.015 0.000 0.738 185 E HN 1.206 nan 8.360 nan 0.000 0.459 186 V N 0.603 120.483 119.914 -0.056 0.000 2.407 186 V HA 0.193 4.315 4.120 0.004 0.000 0.245 186 V C 3.031 179.044 176.094 -0.134 0.000 1.041 186 V CA 3.190 65.426 62.300 -0.106 0.000 1.040 186 V CB -0.771 30.975 31.823 -0.130 0.000 0.671 186 V HN 0.723 nan 8.190 nan 0.000 0.455 187 I N 0.811 121.318 120.570 -0.104 0.000 2.233 187 I HA -0.046 4.126 4.170 0.004 0.000 0.243 187 I C 2.433 178.477 176.117 -0.122 0.000 1.093 187 I CA 2.889 64.127 61.300 -0.103 0.000 1.380 187 I CB -1.764 36.197 38.000 -0.065 0.000 1.067 187 I HN 0.599 nan 8.210 nan 0.000 0.413 188 D N 0.592 120.936 120.400 -0.093 0.000 2.106 188 D HA -0.097 4.545 4.640 0.004 0.000 0.191 188 D C 2.473 178.541 176.300 -0.387 0.000 0.997 188 D CA 3.026 56.957 54.000 -0.116 0.000 0.834 188 D CB -0.907 39.924 40.800 0.052 0.000 0.956 188 D HN 1.119 nan 8.370 nan 0.000 0.448 189 A N 0.781 123.377 122.820 -0.375 0.000 1.849 189 A HA 0.159 4.481 4.320 0.004 0.000 0.217 189 A C 2.912 180.264 177.584 -0.387 0.000 1.202 189 A CA 3.492 55.215 52.037 -0.524 0.000 0.629 189 A CB -1.277 17.604 19.000 -0.199 0.000 0.834 189 A HN 1.321 nan 8.150 nan 0.000 0.447 190 A N -0.430 122.246 122.820 -0.241 0.000 1.940 190 A HA -0.044 4.278 4.320 0.004 0.000 0.221 190 A C 2.466 179.956 177.584 -0.157 0.000 1.190 190 A CA 3.429 55.360 52.037 -0.178 0.000 0.647 190 A CB -1.618 17.284 19.000 -0.163 0.000 0.821 190 A HN 1.389 nan 8.150 nan 0.000 0.457 191 V N -1.667 118.140 119.914 -0.179 0.000 2.219 191 V HA -0.166 3.956 4.120 0.004 0.000 0.248 191 V C 2.889 178.871 176.094 -0.187 0.000 1.053 191 V CA 4.174 66.382 62.300 -0.154 0.000 1.009 191 V CB -1.889 29.847 31.823 -0.145 0.000 0.636 191 V HN 1.009 nan 8.190 nan 0.000 0.445 192 Y N -1.212 118.889 120.300 -0.333 0.000 2.062 192 Y HA -0.277 4.275 4.550 0.004 0.000 0.276 192 Y C 3.106 178.908 175.900 -0.164 0.000 1.189 192 Y CA 4.765 62.679 58.100 -0.309 0.000 1.130 192 Y CB -1.362 36.714 38.460 -0.641 0.000 0.959 192 Y HN 0.918 nan 8.280 nan 0.000 0.499 193 M N 0.435 119.938 119.600 -0.163 0.000 2.073 193 M HA 0.007 4.489 4.480 0.004 0.000 0.258 193 M C 2.719 178.988 176.300 -0.051 0.000 1.070 193 M CA 3.745 58.995 55.300 -0.083 0.000 1.103 193 M CB -2.299 30.257 32.600 -0.073 0.000 1.321 193 M HN 1.475 nan 8.290 nan 0.000 0.405 194 I N 1.371 121.910 120.570 -0.052 0.000 2.110 194 I HA -0.188 3.984 4.170 0.004 0.000 0.226 194 I C 2.411 178.512 176.117 -0.025 0.000 1.001 194 I CA 4.240 65.522 61.300 -0.030 0.000 1.309 194 I CB -2.135 35.848 38.000 -0.028 0.000 1.022 194 I HN 0.766 nan 8.210 nan 0.000 0.384 195 D N -0.239 120.143 120.400 -0.030 0.000 2.265 195 D HA 0.067 4.709 4.640 0.004 0.000 0.208 195 D C 1.248 177.541 176.300 -0.012 0.000 0.977 195 D CA 2.049 56.038 54.000 -0.018 0.000 0.871 195 D CB -1.264 39.525 40.800 -0.018 0.000 0.925 195 D HN 1.917 nan 8.370 nan 0.000 0.485 196 H N -0.848 118.212 119.070 -0.018 0.000 2.675 196 H HA 0.622 5.181 4.556 0.004 0.000 0.258 196 H C -1.929 173.394 175.328 -0.008 0.000 1.271 196 H CA -1.105 54.940 56.048 -0.005 0.000 1.462 196 H CB 0.942 30.708 29.762 0.007 0.000 1.467 196 H HN 0.090 nan 8.280 nan 0.000 0.501 197 P HA -0.158 nan 4.420 nan 0.000 0.202 197 P C 1.541 178.843 177.300 0.003 0.000 1.149 197 P CA 2.713 65.811 63.100 -0.002 0.000 0.931 197 P CB -0.188 31.512 31.700 0.001 0.000 0.762 201 I N 0.131 120.720 120.570 0.032 0.000 3.001 201 I HA 0.162 4.334 4.170 0.004 0.000 0.268 201 I C 2.000 178.138 176.117 0.035 0.000 1.267 201 I CA 2.684 64.005 61.300 0.036 0.000 1.472 201 I CB -1.710 36.305 38.000 0.025 0.000 1.089 201 I HN 1.054 nan 8.210 nan 0.000 0.468 202 D N 0.888 121.304 120.400 0.026 0.000 2.103 202 D HA -0.087 4.555 4.640 0.004 0.000 0.199 202 D C 2.420 178.726 176.300 0.010 0.000 0.978 202 D CA 2.057 56.065 54.000 0.014 0.000 0.829 202 D CB -0.553 40.251 40.800 0.007 0.000 0.981 202 D HN 0.743 nan 8.370 nan 0.000 0.464 203 K N -0.425 119.992 120.400 0.028 0.000 2.217 203 K HA 0.479 4.801 4.320 0.004 0.000 0.202 203 K C 2.538 179.196 176.600 0.097 0.000 1.051 203 K CA 1.495 57.800 56.287 0.030 0.000 0.952 203 K CB -1.366 31.174 32.500 0.066 0.000 0.736 203 K HN 1.093 nan 8.250 nan 0.000 0.453 204 L N -0.925 120.391 121.223 0.156 0.000 2.341 204 L HA 0.476 4.818 4.340 0.004 0.000 0.214 204 L C 3.092 180.096 176.870 0.224 0.000 1.115 204 L CA 2.087 57.095 54.840 0.280 0.000 0.820 204 L CB -1.781 40.369 42.059 0.151 0.000 0.944 204 L HN 0.680 nan 8.230 nan 0.000 0.452 205 M N -0.275 119.377 119.600 0.087 0.000 2.557 205 M HA 0.221 4.703 4.480 0.004 0.000 0.259 205 M C 2.236 178.526 176.300 -0.017 0.000 1.086 205 M CA 2.100 57.425 55.300 0.041 0.000 1.096 205 M CB -2.097 30.512 32.600 0.015 0.000 1.424 205 M HN 0.904 nan 8.290 nan 0.000 0.488 206 E N -0.094 120.035 120.200 -0.119 0.000 2.153 206 E HA -0.117 4.235 4.350 0.004 0.000 0.194 206 E C 1.584 177.958 176.600 -0.376 0.000 0.988 206 E CA 1.787 57.996 56.400 -0.318 0.000 0.811 206 E CB -1.136 28.239 29.700 -0.541 0.000 0.746 206 E HN 0.936 nan 8.360 nan 0.000 0.466 207 F N -0.740 119.200 119.950 -0.017 0.000 2.446 207 F HA 0.422 4.949 4.527 0.001 0.000 0.292 207 F C 1.688 177.473 175.800 -0.026 0.000 1.096 207 F CA 0.853 58.840 58.000 -0.021 0.000 1.438 207 F CB 0.564 39.549 39.000 -0.025 0.000 1.107 207 F HN 0.242 nan 8.300 nan 0.000 0.546 208 L N 0.196 121.506 121.223 0.145 0.000 2.457 208 L HA 0.559 4.901 4.340 0.004 0.000 0.252 208 L C -2.008 174.879 176.870 0.029 0.000 1.132 208 L CA -1.481 53.397 54.840 0.063 0.000 0.938 208 L CB -0.254 41.831 42.059 0.045 0.000 1.246 208 L HN -0.209 nan 8.230 nan 0.000 0.476 209 P HA 0.088 nan 4.420 nan 0.000 0.220 209 P C 0.949 178.255 177.300 0.010 0.000 1.144 209 P CA 1.750 64.851 63.100 0.002 0.000 0.800 209 P CB 0.374 32.072 31.700 -0.003 0.000 0.772 210 G N -2.241 106.563 108.800 0.008 0.000 2.313 210 G HA2 0.339 4.301 3.960 0.004 0.000 0.296 210 G HA3 0.339 4.301 3.960 0.004 0.000 0.296 210 G C -3.312 171.574 174.900 -0.022 0.000 1.356 210 G CA -0.878 44.226 45.100 0.007 0.000 0.833 210 G HN -0.309 nan 8.290 nan 0.000 0.552 211 P HA 0.489 nan 4.420 nan 0.000 0.276 211 P C -0.298 176.864 177.300 -0.231 0.000 1.230 211 P CA 0.358 63.352 63.100 -0.177 0.000 0.776 211 P CB 0.781 32.334 31.700 -0.245 0.000 0.888 212 D N 2.757 123.000 120.400 -0.261 0.000 2.225 212 D HA 0.441 5.084 4.640 0.004 0.000 0.248 212 D C -0.778 175.312 176.300 -0.351 0.000 1.096 212 D CA -0.428 53.465 54.000 -0.178 0.000 0.863 212 D CB 0.098 40.849 40.800 -0.081 0.000 1.156 212 D HN 0.235 nan 8.370 nan 0.000 0.450 213 F N 1.803 121.761 119.950 0.014 0.000 2.420 213 F HA 0.387 4.916 4.527 0.004 0.000 0.342 213 F C -0.739 175.079 175.800 0.029 0.000 1.113 213 F CA -1.890 56.123 58.000 0.021 0.000 1.059 213 F CB 2.233 41.248 39.000 0.025 0.000 1.128 213 F HN 0.285 nan 8.300 nan 0.000 0.475 214 P HA -0.115 nan 4.420 nan 0.000 0.217 214 P C 0.335 177.729 177.300 0.156 0.000 1.148 214 P CA 1.370 64.555 63.100 0.142 0.000 0.828 214 P CB -0.137 31.647 31.700 0.140 0.000 0.783 219 I N 2.451 123.050 120.570 0.049 0.000 2.377 219 I HA 0.934 5.107 4.170 0.004 0.000 0.293 219 I C -0.214 175.923 176.117 0.033 0.000 0.987 219 I CA -1.156 60.172 61.300 0.046 0.000 1.185 219 I CB 1.326 39.389 38.000 0.106 0.000 1.341 219 I HN 1.160 nan 8.210 nan 0.000 0.455 220 Q N 3.593 123.405 119.800 0.019 0.000 2.282 220 Q HA 0.663 5.005 4.340 0.004 0.000 0.260 220 Q C 0.276 176.287 176.000 0.019 0.000 0.964 220 Q CA 0.056 55.869 55.803 0.016 0.000 0.880 220 Q CB 1.596 30.338 28.738 0.006 0.000 1.286 220 Q HN 1.860 nan 8.270 nan 0.000 0.445 221 G N 1.233 110.044 108.800 0.019 0.000 2.370 221 G HA2 -0.092 3.870 3.960 0.004 0.000 0.225 221 G HA3 -0.092 3.870 3.960 0.004 0.000 0.225 221 G C 0.412 175.325 174.900 0.020 0.000 1.109 221 G CA 0.119 45.230 45.100 0.019 0.000 0.871 221 G HN 0.776 nan 8.290 nan 0.000 0.498 222 R N -0.145 120.364 120.500 0.016 0.000 2.132 222 R HA 0.002 4.345 4.340 0.004 0.000 0.233 222 R C 2.470 178.777 176.300 0.012 0.000 1.125 222 R CA 3.210 59.318 56.100 0.013 0.000 0.914 222 R CB -1.902 28.402 30.300 0.008 0.000 0.845 222 R HN 1.614 nan 8.270 nan 0.000 0.431 223 D N -0.711 119.694 120.400 0.009 0.000 2.200 223 D HA -0.237 4.405 4.640 0.004 0.000 0.192 223 D C 2.245 178.551 176.300 0.011 0.000 1.008 223 D CA 3.878 57.883 54.000 0.008 0.000 0.872 223 D CB -0.869 39.935 40.800 0.007 0.000 0.923 223 D HN 0.888 nan 8.370 nan 0.000 0.447 224 E N -0.593 119.615 120.200 0.014 0.000 2.016 224 E HA 0.217 4.569 4.350 0.004 0.000 0.190 224 E C 2.736 179.347 176.600 0.020 0.000 0.985 224 E CA 2.319 58.729 56.400 0.017 0.000 0.802 224 E CB -1.377 28.334 29.700 0.019 0.000 0.762 224 E HN 1.467 nan 8.360 nan 0.000 0.448 225 I N 1.900 122.484 120.570 0.024 0.000 2.185 225 I HA -0.107 4.065 4.170 0.004 0.000 0.246 225 I C 2.993 179.121 176.117 0.018 0.000 1.088 225 I CA 3.914 65.230 61.300 0.025 0.000 1.347 225 I CB -2.185 35.832 38.000 0.029 0.000 1.041 225 I HN 0.699 nan 8.210 nan 0.000 0.415 226 K N 0.569 120.978 120.400 0.015 0.000 2.032 226 K HA -0.183 4.139 4.320 0.004 0.000 0.209 226 K C 2.558 179.165 176.600 0.012 0.000 1.048 226 K CA 3.002 59.296 56.287 0.012 0.000 0.927 226 K CB -1.552 30.953 32.500 0.009 0.000 0.712 226 K HN 1.056 nan 8.250 nan 0.000 0.441 227 K N 0.232 120.639 120.400 0.012 0.000 2.167 227 K HA 0.480 4.802 4.320 0.004 0.000 0.203 227 K C 2.611 179.219 176.600 0.013 0.000 1.052 227 K CA 1.373 57.667 56.287 0.012 0.000 0.956 227 K CB -0.898 31.609 32.500 0.011 0.000 0.735 227 K HN 0.749 nan 8.250 nan 0.000 0.451 228 A N -0.121 122.708 122.820 0.015 0.000 1.972 228 A HA 0.103 4.425 4.320 0.004 0.000 0.219 228 A C 2.583 180.176 177.584 0.014 0.000 1.169 228 A CA 2.015 54.061 52.037 0.016 0.000 0.635 228 A CB -1.094 17.919 19.000 0.021 0.000 0.810 228 A HN 1.127 nan 8.150 nan 0.000 0.446 229 Y N -1.886 118.422 120.300 0.013 0.000 2.333 229 Y HA 0.118 4.671 4.550 0.004 0.000 0.290 229 Y C 2.495 178.401 175.900 0.011 0.000 1.144 229 Y CA 2.344 60.451 58.100 0.011 0.000 1.228 229 Y CB -1.094 37.374 38.460 0.013 0.000 0.985 229 Y HN 0.655 nan 8.280 nan 0.000 0.542 230 E N -0.908 119.299 120.200 0.012 0.000 2.389 230 E HA 0.150 4.502 4.350 0.004 0.000 0.199 230 E C 1.944 178.551 176.600 0.011 0.000 0.978 230 E CA 1.172 57.579 56.400 0.011 0.000 0.912 230 E CB -1.302 28.405 29.700 0.012 0.000 0.907 230 E HN 0.790 nan 8.360 nan 0.000 0.494 231 T N -0.800 113.761 114.554 0.012 0.000 3.014 231 T HA 0.458 4.810 4.350 0.004 0.000 0.263 231 T C 1.725 176.432 174.700 0.012 0.000 1.078 231 T CA 1.542 63.649 62.100 0.012 0.000 1.135 231 T CB -0.384 68.491 68.868 0.012 0.000 0.895 231 T HN 1.549 nan 8.240 nan 0.000 0.480 235 R N -1.581 118.934 120.500 0.024 0.000 2.538 235 R HA 1.029 5.372 4.340 0.004 0.000 0.292 235 R C -0.089 176.227 176.300 0.026 0.000 1.008 235 R CA 0.327 56.441 56.100 0.024 0.000 0.896 235 R CB 0.721 31.031 30.300 0.016 0.000 1.187 235 R HN 2.361 nan 8.270 nan 0.000 0.440 236 V N 0.131 120.065 119.914 0.033 0.000 3.770 236 V HA 1.027 5.149 4.120 0.004 0.000 0.288 236 V C 0.675 176.778 176.094 0.015 0.000 1.291 236 V CA -0.141 62.180 62.300 0.034 0.000 0.948 236 V CB 1.016 32.876 31.823 0.063 0.000 1.269 236 V HN 1.813 nan 8.190 nan 0.000 0.469 237 V N -2.338 117.582 119.914 0.011 0.000 3.216 237 V HA 0.957 5.079 4.120 0.004 0.000 0.302 237 V C -0.613 175.462 176.094 -0.031 0.000 1.286 237 V CA -0.446 61.846 62.300 -0.013 0.000 1.048 237 V CB 1.441 33.260 31.823 -0.007 0.000 1.081 237 V HN 2.402 nan 8.190 nan 0.000 0.442 238 V N 0.886 120.766 119.914 -0.057 0.000 2.777 238 V HA 1.066 5.188 4.120 0.004 0.000 0.306 238 V C -0.337 175.719 176.094 -0.065 0.000 1.112 238 V CA -0.408 61.839 62.300 -0.088 0.000 0.917 238 V CB 1.420 33.132 31.823 -0.185 0.000 1.018 238 V HN 2.143 nan 8.190 nan 0.000 0.426 239 R N 2.813 123.284 120.500 -0.047 0.000 2.740 239 R HA 1.023 5.365 4.340 0.004 0.000 0.282 239 R C 0.180 176.462 176.300 -0.029 0.000 0.969 239 R CA 0.019 56.100 56.100 -0.032 0.000 0.918 239 R CB 1.049 31.338 30.300 -0.017 0.000 1.175 239 R HN 2.585 nan 8.270 nan 0.000 0.464 240 S N 0.217 115.902 115.700 -0.026 0.000 2.632 240 S HA 0.580 5.052 4.470 0.004 0.000 0.271 240 S C 0.801 175.392 174.600 -0.014 0.000 1.260 240 S CA -0.000 58.185 58.200 -0.023 0.000 1.010 240 S CB 0.421 63.606 63.200 -0.025 0.000 0.965 240 S HN 1.445 nan 8.310 nan 0.000 0.534 241 K N 1.233 121.626 120.400 -0.011 0.000 2.480 241 K HA 0.590 4.912 4.320 0.004 0.000 0.241 241 K C 0.249 176.843 176.600 -0.009 0.000 1.261 241 K CA 0.224 56.507 56.287 -0.006 0.000 1.193 241 K CB -1.187 31.312 32.500 -0.002 0.000 1.598 241 K HN 1.317 nan 8.250 nan 0.000 0.278 242 T N -0.506 114.042 114.554 -0.010 0.000 2.861 242 T HA 0.735 5.087 4.350 0.004 0.000 0.287 242 T C 0.242 174.937 174.700 -0.008 0.000 1.003 242 T CA 0.213 62.306 62.100 -0.011 0.000 0.977 242 T CB 0.891 69.751 68.868 -0.013 0.000 0.996 242 T HN 0.745 nan 8.240 nan 0.000 0.448 243 E N 0.001 120.196 120.200 -0.008 0.000 2.639 243 E HA 0.964 5.316 4.350 0.004 0.000 0.219 243 E C -0.116 176.480 176.600 -0.007 0.000 0.800 243 E CA -0.135 56.261 56.400 -0.006 0.000 1.002 243 E CB 0.141 29.838 29.700 -0.005 0.000 1.621 243 E HN 2.016 nan 8.360 nan 0.000 0.396 244 I N -1.546 119.021 120.570 -0.006 0.000 2.730 244 I HA 0.960 5.132 4.170 0.004 0.000 0.298 244 I C 0.001 176.114 176.117 -0.005 0.000 1.089 244 I CA 0.001 61.297 61.300 -0.006 0.000 1.041 244 I CB 0.705 38.702 38.000 -0.005 0.000 1.235 244 I HN 1.422 nan 8.210 nan 0.000 0.423 245 E N 2.239 122.436 120.200 -0.006 0.000 2.437 245 E HA 0.932 5.284 4.350 0.004 0.000 0.280 245 E C -0.497 176.099 176.600 -0.005 0.000 1.044 245 E CA -0.350 56.047 56.400 -0.005 0.000 0.826 245 E CB 1.006 30.702 29.700 -0.005 0.000 1.358 245 E HN 2.344 nan 8.360 nan 0.000 0.459 246 K N 0.039 120.436 120.400 -0.005 0.000 2.293 246 K HA 0.880 5.202 4.320 0.004 0.000 0.267 246 K C 0.423 177.020 176.600 -0.005 0.000 1.010 246 K CA -0.014 56.270 56.287 -0.005 0.000 0.875 246 K CB 0.187 32.685 32.500 -0.004 0.000 1.106 246 K HN 1.992 nan 8.250 nan 0.000 0.450 247 L N 0.639 121.859 121.223 -0.005 0.000 2.466 247 L HA 0.872 5.215 4.340 0.004 0.000 0.257 247 L C 1.170 178.038 176.870 -0.005 0.000 1.189 247 L CA -0.367 54.470 54.840 -0.005 0.000 0.813 247 L CB -0.832 41.224 42.059 -0.006 0.000 1.118 247 L HN 1.222 nan 8.230 nan 0.000 0.471 248 K N 0.448 120.846 120.400 -0.005 0.000 2.414 248 K HA 0.532 4.854 4.320 0.004 0.000 0.272 248 K C 1.545 178.142 176.600 -0.004 0.000 0.993 248 K CA 0.561 56.845 56.287 -0.004 0.000 0.964 248 K CB -0.238 32.260 32.500 -0.004 0.000 0.925 248 K HN 2.865 nan 8.250 nan 0.000 0.487 249 G N -0.350 108.448 108.800 -0.004 0.000 2.176 249 G HA2 0.233 4.195 3.960 0.004 0.000 0.253 249 G HA3 0.233 4.195 3.960 0.004 0.000 0.253 249 G C 1.251 176.149 174.900 -0.003 0.000 0.979 249 G CA 0.885 45.983 45.100 -0.003 0.000 0.641 249 G HN 2.573 nan 8.290 nan 0.000 0.530 250 G N -1.843 106.954 108.800 -0.004 0.000 2.851 250 G HA2 0.527 4.489 3.960 0.004 0.000 0.272 250 G HA3 0.527 4.489 3.960 0.004 0.000 0.272 250 G C -0.018 174.880 174.900 -0.004 0.000 1.100 250 G CA 1.192 46.290 45.100 -0.003 0.000 1.197 250 G HN 2.345 nan 8.290 nan 0.000 0.561 251 K N -1.575 118.823 120.400 -0.004 0.000 2.428 251 K HA 1.086 5.409 4.320 0.004 0.000 0.279 251 K C 0.014 176.611 176.600 -0.005 0.000 1.041 251 K CA 0.876 57.161 56.287 -0.004 0.000 0.887 251 K CB 0.138 32.635 32.500 -0.005 0.000 1.535 251 K HN 1.963 nan 8.250 nan 0.000 0.417 252 E N -0.551 119.646 120.200 -0.005 0.000 2.313 252 E HA 0.587 4.939 4.350 0.004 0.000 0.272 252 E C 0.226 176.822 176.600 -0.006 0.000 1.038 252 E CA 0.016 56.412 56.400 -0.005 0.000 0.863 252 E CB 0.914 30.610 29.700 -0.006 0.000 1.060 252 E HN 1.718 nan 8.360 nan 0.000 0.402 253 Q N -1.112 118.684 119.800 -0.006 0.000 2.961 253 Q HA 0.605 4.947 4.340 0.004 0.000 0.223 253 Q C -0.580 175.415 176.000 -0.008 0.000 0.859 253 Q CA 0.072 55.871 55.803 -0.007 0.000 0.771 253 Q CB -0.030 28.704 28.738 -0.007 0.000 1.389 253 Q HN 2.169 nan 8.270 nan 0.000 0.460 254 I N 0.306 120.871 120.570 -0.008 0.000 2.466 254 I HA 0.989 5.162 4.170 0.004 0.000 0.279 254 I C 0.076 176.187 176.117 -0.010 0.000 1.033 254 I CA -0.439 60.856 61.300 -0.009 0.000 1.123 254 I CB 0.574 38.569 38.000 -0.008 0.000 1.237 254 I HN 1.494 nan 8.210 nan 0.000 0.460 255 V N 3.639 123.546 119.914 -0.011 0.000 3.156 255 V HA 0.973 5.095 4.120 0.004 0.000 0.311 255 V C 0.241 176.326 176.094 -0.015 0.000 1.208 255 V CA -0.384 61.908 62.300 -0.014 0.000 1.063 255 V CB 1.541 33.355 31.823 -0.015 0.000 1.098 255 V HN 2.179 nan 8.190 nan 0.000 0.452 256 I N 0.106 120.665 120.570 -0.018 0.000 2.947 256 I HA 0.831 5.004 4.170 0.004 0.000 0.314 256 I C 1.001 177.105 176.117 -0.022 0.000 1.028 256 I CA -0.306 60.982 61.300 -0.019 0.000 1.077 256 I CB 1.473 39.460 38.000 -0.022 0.000 1.274 256 I HN 1.445 nan 8.210 nan 0.000 0.485 263 I N -1.086 119.492 120.570 0.012 0.000 3.861 263 I HA 0.967 5.139 4.170 0.004 0.000 0.262 263 I C 0.621 176.775 176.117 0.062 0.000 1.269 263 I CA -0.654 60.651 61.300 0.010 0.000 1.140 263 I CB 0.970 38.950 38.000 -0.032 0.000 1.424 263 I HN 1.364 nan 8.210 nan 0.000 0.527 264 N N 0.158 118.878 118.700 0.034 0.000 2.558 264 N HA 0.625 5.367 4.740 0.004 0.000 0.285 264 N C 0.233 175.741 175.510 -0.003 0.000 1.112 264 N CA 0.300 53.375 53.050 0.041 0.000 0.857 264 N CB 0.993 39.513 38.487 0.054 0.000 1.376 264 N HN 1.563 nan 8.380 nan 0.000 0.526 265 K N -0.406 119.973 120.400 -0.036 0.000 2.555 265 K HA 0.489 4.812 4.320 0.004 0.000 0.193 265 K C 1.998 178.569 176.600 -0.049 0.000 1.032 265 K CA 1.448 57.701 56.287 -0.057 0.000 1.004 265 K CB -0.698 31.741 32.500 -0.100 0.000 0.804 265 K HN 1.132 nan 8.250 nan 0.000 0.496 266 A N 1.003 123.804 122.820 -0.031 0.000 1.843 266 A HA -0.012 4.311 4.320 0.004 0.000 0.213 266 A C 2.418 179.994 177.584 -0.015 0.000 1.202 266 A CA 1.738 53.762 52.037 -0.021 0.000 0.607 266 A CB -0.844 18.154 19.000 -0.003 0.000 0.847 266 A HN 0.742 nan 8.150 nan 0.000 0.445 267 N N -0.691 118.004 118.700 -0.008 0.000 2.467 267 N HA 0.317 5.060 4.740 0.004 0.000 0.184 267 N C 1.714 177.217 175.510 -0.012 0.000 1.106 267 N CA 1.360 54.406 53.050 -0.007 0.000 0.892 267 N CB -0.832 37.655 38.487 -0.001 0.000 0.969 267 N HN 0.789 nan 8.380 nan 0.000 0.454 268 L N -0.430 120.782 121.223 -0.017 0.000 2.162 268 L HA 0.602 4.944 4.340 0.004 0.000 0.205 268 L C 3.115 179.972 176.870 -0.022 0.000 1.086 268 L CA 1.715 56.543 54.840 -0.020 0.000 0.778 268 L CB -1.494 40.550 42.059 -0.025 0.000 0.928 268 L HN 0.540 nan 8.230 nan 0.000 0.446 269 V N -0.092 119.807 119.914 -0.026 0.000 2.594 269 V HA -0.080 4.042 4.120 0.004 0.000 0.253 269 V C 2.738 178.820 176.094 -0.021 0.000 1.069 269 V CA 3.482 65.766 62.300 -0.027 0.000 1.082 269 V CB -1.296 30.508 31.823 -0.033 0.000 0.680 269 V HN 0.705 nan 8.190 nan 0.000 0.469 270 K N -0.013 120.376 120.400 -0.017 0.000 2.284 270 K HA 0.295 4.617 4.320 0.004 0.000 0.198 270 K C 2.391 178.984 176.600 -0.012 0.000 1.048 270 K CA 1.405 57.684 56.287 -0.013 0.000 0.987 270 K CB -0.817 31.677 32.500 -0.011 0.000 0.800 270 K HN 0.770 nan 8.250 nan 0.000 0.486 271 K N 0.592 120.985 120.400 -0.012 0.000 2.148 271 K HA 0.254 4.576 4.320 0.004 0.000 0.204 271 K C 2.576 179.169 176.600 -0.012 0.000 1.050 271 K CA 1.671 57.951 56.287 -0.011 0.000 0.942 271 K CB -1.522 30.971 32.500 -0.012 0.000 0.724 271 K HN 0.773 nan 8.250 nan 0.000 0.446 272 I N 1.762 122.324 120.570 -0.013 0.000 2.113 272 I HA -0.092 4.081 4.170 0.004 0.000 0.238 272 I C 2.613 178.723 176.117 -0.011 0.000 1.070 272 I CA 2.820 64.112 61.300 -0.013 0.000 1.332 272 I CB -1.838 36.153 38.000 -0.015 0.000 1.044 272 I HN 0.682 nan 8.210 nan 0.000 0.402 273 D N 0.562 120.955 120.400 -0.012 0.000 2.182 273 D HA -0.123 4.519 4.640 0.004 0.000 0.201 273 D C 1.905 178.200 176.300 -0.009 0.000 0.986 273 D CA 2.575 56.569 54.000 -0.010 0.000 0.847 273 D CB -1.514 39.280 40.800 -0.011 0.000 0.942 273 D HN 0.849 nan 8.370 nan 0.000 0.467 274 D N -0.453 119.942 120.400 -0.009 0.000 2.103 274 D HA 0.204 4.847 4.640 0.004 0.000 0.199 274 D C 2.621 178.916 176.300 -0.007 0.000 0.978 274 D CA 2.463 56.459 54.000 -0.007 0.000 0.829 274 D CB -1.032 39.764 40.800 -0.007 0.000 0.981 274 D HN 0.908 nan 8.370 nan 0.000 0.464 275 V N 0.533 120.442 119.914 -0.008 0.000 2.370 275 V HA -0.001 4.121 4.120 0.004 0.000 0.252 275 V C 2.841 178.930 176.094 -0.007 0.000 1.068 275 V CA 4.014 66.309 62.300 -0.007 0.000 1.061 275 V CB -1.425 30.393 31.823 -0.008 0.000 0.656 275 V HN 0.713 nan 8.190 nan 0.000 0.455 276 R N -0.691 119.805 120.500 -0.007 0.000 2.240 276 R HA 0.460 4.802 4.340 0.004 0.000 0.203 276 R C 2.294 178.590 176.300 -0.006 0.000 1.011 276 R CA 1.875 57.971 56.100 -0.007 0.000 1.007 276 R CB -1.523 28.772 30.300 -0.008 0.000 0.911 276 R HN 1.290 nan 8.270 nan 0.000 0.468 277 V N 0.065 119.975 119.914 -0.006 0.000 2.488 277 V HA -0.059 4.064 4.120 0.004 0.000 0.246 277 V C 2.161 178.252 176.094 -0.005 0.000 1.046 277 V CA 2.519 64.816 62.300 -0.005 0.000 1.053 277 V CB -1.156 30.664 31.823 -0.005 0.000 0.679 277 V HN 0.686 nan 8.190 nan 0.000 0.458 278 N N -0.050 118.647 118.700 -0.005 0.000 2.392 278 N HA 0.169 4.911 4.740 0.004 0.000 0.177 278 N C 1.294 176.802 175.510 -0.004 0.000 1.066 278 N CA 1.722 54.770 53.050 -0.004 0.000 0.895 278 N CB -0.570 37.914 38.487 -0.004 0.000 0.988 278 N HN 1.975 nan 8.380 nan 0.000 0.457 279 N N -1.568 117.129 118.700 -0.005 0.000 2.727 279 N HA -0.057 4.686 4.740 0.004 0.000 0.249 279 N C 0.599 176.107 175.510 -0.004 0.000 1.048 279 N CA 1.775 54.822 53.050 -0.005 0.000 0.714 279 N CB -2.693 35.791 38.487 -0.004 0.000 0.959 279 N HN 1.401 nan 8.380 nan 0.000 0.544 280 K N -1.028 119.369 120.400 -0.005 0.000 3.101 280 K HA 0.877 5.199 4.320 0.004 0.000 0.229 280 K C 0.639 177.237 176.600 -0.005 0.000 1.232 280 K CA 1.066 57.350 56.287 -0.004 0.000 1.210 280 K CB -0.548 31.950 32.500 -0.004 0.000 1.284 280 K HN 2.342 nan 8.250 nan 0.000 0.448 301 E N 1.329 121.523 120.200 -0.010 0.000 2.303 301 E HA 0.821 5.173 4.350 0.004 0.000 0.211 301 E C 0.273 176.868 176.600 -0.008 0.000 1.223 301 E CA 0.867 57.261 56.400 -0.009 0.000 1.344 301 E CB -0.248 29.446 29.700 -0.009 0.000 1.299 301 E HN 2.486 nan 8.360 nan 0.000 0.441 309 E N 0.630 120.827 120.200 -0.005 0.000 2.435 309 E HA 0.451 4.803 4.350 0.004 0.000 0.195 309 E C 2.553 179.150 176.600 -0.005 0.000 1.029 309 E CA 1.694 58.091 56.400 -0.005 0.000 0.865 309 E CB -0.958 28.739 29.700 -0.005 0.000 0.833 309 E HN 1.849 nan 8.360 nan 0.000 0.510 310 L N 0.240 121.460 121.223 -0.005 0.000 2.201 310 L HA 0.348 4.690 4.340 0.004 0.000 0.212 310 L C 3.175 180.042 176.870 -0.005 0.000 1.105 310 L CA 2.307 57.144 54.840 -0.005 0.000 0.775 310 L CB -1.658 40.399 42.059 -0.004 0.000 0.913 310 L HN 0.643 nan 8.230 nan 0.000 0.440 311 V N -0.956 118.955 119.914 -0.005 0.000 2.427 311 V HA 0.025 4.147 4.120 0.004 0.000 0.248 311 V C 2.888 178.978 176.094 -0.007 0.000 1.051 311 V CA 3.344 65.641 62.300 -0.006 0.000 1.048 311 V CB -0.976 30.844 31.823 -0.006 0.000 0.666 311 V HN 0.928 nan 8.190 nan 0.000 0.456 312 L N 0.181 121.400 121.223 -0.007 0.000 2.156 312 L HA -0.027 4.315 4.340 0.004 0.000 0.208 312 L C 2.506 179.371 176.870 -0.008 0.000 1.095 312 L CA 2.938 57.773 54.840 -0.008 0.000 0.770 312 L CB -2.614 39.440 42.059 -0.008 0.000 0.914 312 L HN 0.823 nan 8.230 nan 0.000 0.439 313 N N -1.419 117.277 118.700 -0.007 0.000 2.166 313 N HA -0.196 4.546 4.740 0.004 0.000 0.186 313 N C 2.139 177.645 175.510 -0.008 0.000 1.019 313 N CA 2.566 55.612 53.050 -0.007 0.000 0.856 313 N CB -1.060 37.423 38.487 -0.006 0.000 0.993 313 N HN 1.159 nan 8.380 nan 0.000 0.426 314 Y N -0.559 119.737 120.300 -0.007 0.000 2.337 314 Y HA 0.469 5.022 4.550 0.004 0.000 0.293 314 Y C 3.278 179.173 175.900 -0.008 0.000 1.123 314 Y CA 1.604 59.700 58.100 -0.007 0.000 1.201 314 Y CB -0.950 37.506 38.460 -0.006 0.000 1.011 314 Y HN 0.661 nan 8.280 nan 0.000 0.545 315 L N -1.032 120.186 121.223 -0.008 0.000 2.240 315 L HA 0.203 4.545 4.340 0.004 0.000 0.211 315 L C 2.618 179.481 176.870 -0.011 0.000 1.106 315 L CA 1.994 56.828 54.840 -0.009 0.000 0.793 315 L CB -2.409 39.644 42.059 -0.010 0.000 0.927 315 L HN 0.953 nan 8.230 nan 0.000 0.446 316 F N 0.292 120.235 119.950 -0.012 0.000 2.325 316 F HA 0.276 4.805 4.527 0.004 0.000 0.299 316 F C 2.576 178.367 175.800 -0.015 0.000 1.090 316 F CA 2.074 60.065 58.000 -0.014 0.000 1.392 316 F CB -1.006 37.985 39.000 -0.014 0.000 1.053 316 F HN 0.519 nan 8.300 nan 0.000 0.521 317 K N -0.903 119.489 120.400 -0.013 0.000 2.397 317 K HA 0.502 4.825 4.320 0.004 0.000 0.202 317 K C 1.210 177.803 176.600 -0.011 0.000 1.022 317 K CA 0.843 57.122 56.287 -0.012 0.000 1.141 317 K CB -1.890 30.604 32.500 -0.010 0.000 0.857 317 K HN 1.197 nan 8.250 nan 0.000 0.514 318 Y N -1.573 118.720 120.300 -0.011 0.000 2.701 318 Y HA 0.455 5.007 4.550 0.004 0.000 0.275 318 Y C 2.556 178.450 175.900 -0.010 0.000 1.133 318 Y CA 1.002 59.096 58.100 -0.009 0.000 1.241 318 Y CB -0.030 38.426 38.460 -0.008 0.000 1.389 318 Y HN 0.367 nan 8.280 nan 0.000 0.486 319 T N -0.197 114.351 114.554 -0.011 0.000 3.219 319 T HA 0.355 4.707 4.350 0.004 0.000 0.249 319 T C 1.106 175.798 174.700 -0.014 0.000 1.099 319 T CA 1.553 63.646 62.100 -0.012 0.000 0.988 319 T CB -1.796 67.064 68.868 -0.012 0.000 0.999 319 T HN 1.643 nan 8.240 nan 0.000 0.550 320 D N -2.419 117.972 120.400 -0.015 0.000 3.079 320 D HA 0.004 4.646 4.640 0.004 0.000 0.214 320 D C 1.689 177.975 176.300 -0.023 0.000 1.145 320 D CA 1.338 55.327 54.000 -0.019 0.000 0.958 320 D CB -2.431 38.359 40.800 -0.016 0.000 1.117 320 D HN 1.326 nan 8.370 nan 0.000 0.416 321 L N -3.217 117.992 121.223 -0.022 0.000 2.376 321 L HA 0.664 5.006 4.340 0.004 0.000 0.219 321 L C 2.638 179.490 176.870 -0.030 0.000 1.133 321 L CA 3.134 57.959 54.840 -0.025 0.000 0.816 321 L CB -1.160 40.886 42.059 -0.021 0.000 0.933 321 L HN 2.027 nan 8.230 nan 0.000 0.449 322 Q N -1.451 118.330 119.800 -0.031 0.000 2.458 322 Q HA 0.697 5.039 4.340 0.004 0.000 0.332 322 Q C 0.441 176.416 176.000 -0.041 0.000 0.825 322 Q CA 0.763 56.543 55.803 -0.038 0.000 1.076 322 Q CB -1.313 27.407 28.738 -0.030 0.000 1.394 322 Q HN 1.640 nan 8.270 nan 0.000 0.393 323 I N -0.249 120.295 120.570 -0.043 0.000 2.026 323 I HA 0.672 4.844 4.170 0.004 0.000 0.149 323 I C 1.337 177.420 176.117 -0.057 0.000 1.444 323 I CA 1.146 62.422 61.300 -0.041 0.000 0.659 323 I CB -1.329 36.650 38.000 -0.036 0.000 1.847 323 I HN 2.215 nan 8.210 nan 0.000 1.093 324 N N -3.866 114.798 118.700 -0.059 0.000 4.707 324 N HA 0.469 5.212 4.740 0.004 0.000 0.346 324 N C -0.361 175.114 175.510 -0.058 0.000 1.724 324 N CA 1.011 54.012 53.050 -0.081 0.000 2.904 324 N CB -1.791 36.599 38.487 -0.162 0.000 0.410 324 N HN 2.732 nan 8.380 nan 0.000 0.805 325 Y N -2.230 118.048 120.300 -0.037 0.000 3.257 325 Y HA 0.994 5.546 4.550 0.004 0.000 0.292 325 Y C 0.831 176.741 175.900 0.015 0.000 1.790 325 Y CA 0.854 58.935 58.100 -0.031 0.000 1.007 325 Y CB -0.235 38.204 38.460 -0.035 0.000 1.436 325 Y HN 2.526 nan 8.280 nan 0.000 0.592 326 N N -1.557 117.170 118.700 0.045 0.000 2.329 326 N HA 0.754 5.496 4.740 0.004 0.000 0.282 326 N C -1.218 174.339 175.510 0.078 0.000 1.198 326 N CA -0.266 52.815 53.050 0.051 0.000 0.790 326 N CB 1.394 39.903 38.487 0.036 0.000 1.579 326 N HN 2.210 nan 8.380 nan 0.000 0.475 327 F N -0.394 119.593 119.950 0.062 0.000 2.646 327 F HA 0.749 5.278 4.527 0.004 0.000 0.364 327 F C 0.289 176.111 175.800 0.036 0.000 1.137 327 F CA -0.269 57.765 58.000 0.057 0.000 1.085 327 F CB 0.318 39.353 39.000 0.058 0.000 1.331 327 F HN 1.219 nan 8.300 nan 0.000 0.472 328 N N 1.301 120.020 118.700 0.031 0.000 3.012 328 N HA 0.666 5.408 4.740 0.004 0.000 0.270 328 N C 0.035 175.555 175.510 0.017 0.000 1.469 328 N CA 0.171 53.234 53.050 0.023 0.000 0.928 328 N CB 0.717 39.217 38.487 0.023 0.000 1.219 328 N HN 1.820 nan 8.380 nan 0.000 0.492 329 M N 0.788 120.396 119.600 0.014 0.000 2.246 329 M HA 0.706 5.189 4.480 0.004 0.000 0.350 329 M C 0.442 176.747 176.300 0.008 0.000 1.406 329 M CA -0.266 55.039 55.300 0.008 0.000 1.089 329 M CB -0.745 31.857 32.600 0.004 0.000 1.782 329 M HN 1.824 nan 8.290 nan 0.000 0.457 330 V N 2.010 121.928 119.914 0.007 0.000 2.809 330 V HA 0.887 5.009 4.120 0.004 0.000 0.290 330 V C -0.474 175.622 176.094 0.005 0.000 1.305 330 V CA -0.157 62.148 62.300 0.007 0.000 0.939 330 V CB 0.422 32.251 31.823 0.009 0.000 1.081 330 V HN 2.604 nan 8.190 nan 0.000 0.439 331 A N 3.443 126.266 122.820 0.005 0.000 3.865 331 A HA 1.140 5.462 4.320 0.004 0.000 0.284 331 A C -0.364 177.222 177.584 0.003 0.000 1.105 331 A CA 0.238 52.277 52.037 0.003 0.000 0.605 331 A CB 0.391 19.393 19.000 0.003 0.000 1.594 331 A HN 2.631 nan 8.150 nan 0.000 0.741 332 I N -0.108 120.463 120.570 0.001 0.000 2.362 332 I HA 0.733 4.905 4.170 0.004 0.000 0.289 332 I C -0.343 175.776 176.117 0.002 0.000 0.994 332 I CA 0.270 61.570 61.300 -0.000 0.000 1.158 332 I CB 0.356 38.352 38.000 -0.006 0.000 1.315 332 I HN 1.356 nan 8.210 nan 0.000 0.451 333 D N 2.877 123.279 120.400 0.004 0.000 2.879 333 D HA 0.598 5.240 4.640 0.004 0.000 0.236 333 D C 0.363 176.665 176.300 0.003 0.000 1.171 333 D CA -0.096 53.907 54.000 0.005 0.000 0.868 333 D CB 1.260 42.066 40.800 0.009 0.000 1.598 333 D HN 1.467 nan 8.370 nan 0.000 0.497 334 N N -0.674 118.026 118.700 0.000 0.000 2.850 334 N HA -0.199 4.543 4.740 0.004 0.000 0.249 334 N C 0.890 176.400 175.510 0.000 0.000 1.060 334 N CA 1.061 54.111 53.050 0.000 0.000 0.825 334 N CB -1.978 36.511 38.487 0.003 0.000 1.132 334 N HN 2.179 nan 8.380 nan 0.000 0.564 335 F N -3.154 116.794 119.950 -0.002 0.000 3.056 335 F HA 0.034 4.563 4.527 0.004 0.000 0.301 335 F C 0.609 176.409 175.800 0.000 0.000 0.907 335 F CA 1.729 59.728 58.000 -0.002 0.000 1.113 335 F CB -2.538 36.461 39.000 -0.001 0.000 1.123 335 F HN 0.937 nan 8.300 nan 0.000 0.661 336 T N -1.402 113.152 114.554 0.001 0.000 2.786 336 T HA 0.764 5.116 4.350 0.004 0.000 0.316 336 T C -3.586 171.116 174.700 0.003 0.000 1.503 336 T CA -0.831 61.271 62.100 0.003 0.000 1.019 336 T CB 1.833 70.705 68.868 0.007 0.000 1.415 336 T HN 0.625 nan 8.240 nan 0.000 0.496 337 P HA 0.730 nan 4.420 nan 0.000 0.287 337 P C -0.818 176.488 177.300 0.009 0.000 1.294 337 P CA -0.375 62.728 63.100 0.006 0.000 0.776 337 P CB 0.998 32.702 31.700 0.007 0.000 0.889 338 R N 2.089 122.594 120.500 0.009 0.000 2.836 338 R HA 0.678 5.020 4.340 0.004 0.000 0.269 338 R C -0.852 175.455 176.300 0.010 0.000 1.010 338 R CA -0.568 55.539 56.100 0.011 0.000 0.930 338 R CB 0.776 31.083 30.300 0.011 0.000 1.218 338 R HN 0.323 nan 8.270 nan 0.000 0.473 339 Q N 1.138 120.945 119.800 0.011 0.000 2.243 339 Q HA 0.745 5.087 4.340 0.004 0.000 0.252 339 Q C -0.460 175.546 176.000 0.011 0.000 0.909 339 Q CA 0.070 55.880 55.803 0.011 0.000 0.922 339 Q CB 0.863 29.608 28.738 0.012 0.000 1.215 339 Q HN 0.853 nan 8.270 nan 0.000 0.427 340 V N 0.132 120.052 119.914 0.010 0.000 3.182 340 V HA 1.025 5.147 4.120 0.004 0.000 0.311 340 V C 0.574 176.673 176.094 0.008 0.000 1.221 340 V CA -0.320 61.986 62.300 0.010 0.000 1.060 340 V CB 2.002 33.832 31.823 0.011 0.000 1.164 340 V HN 1.201 nan 8.190 nan 0.000 0.466 341 G N -2.203 106.601 108.800 0.007 0.000 3.243 341 G HA2 0.673 4.635 3.960 0.004 0.000 0.248 341 G HA3 0.673 4.635 3.960 0.004 0.000 0.248 341 G C 0.647 175.547 174.900 -0.000 0.000 1.267 341 G CA 0.702 45.805 45.100 0.005 0.000 0.906 341 G HN 1.838 nan 8.290 nan 0.000 0.592 342 I N -0.723 119.847 120.570 0.000 0.000 2.617 342 I HA 0.458 4.630 4.170 0.004 0.000 0.256 342 I C 2.797 178.910 176.117 -0.007 0.000 1.167 342 I CA 2.268 63.564 61.300 -0.006 0.000 1.469 342 I CB -1.256 36.744 38.000 0.001 0.000 1.098 342 I HN 0.779 nan 8.210 nan 0.000 0.436 343 V N -0.108 119.807 119.914 0.002 0.000 2.685 343 V HA 0.064 4.186 4.120 0.004 0.000 0.244 343 V C 0.690 176.788 176.094 0.006 0.000 1.054 343 V CA 1.529 63.831 62.300 0.003 0.000 1.076 343 V CB -1.297 30.532 31.823 0.009 0.000 0.725 343 V HN 0.454 nan 8.190 nan 0.000 0.467 344 P HA -0.098 nan 4.420 nan 0.000 0.215 344 P C 1.928 179.241 177.300 0.021 0.000 1.157 344 P CA 2.709 65.817 63.100 0.015 0.000 0.863 344 P CB -0.140 31.568 31.700 0.013 0.000 0.787 345 I N -0.137 120.441 120.570 0.013 0.000 2.052 345 I HA -0.229 3.943 4.170 0.004 0.000 0.235 345 I C 2.765 178.901 176.117 0.031 0.000 1.046 345 I CA 3.142 64.453 61.300 0.018 0.000 1.308 345 I CB -2.192 35.800 38.000 -0.012 0.000 1.031 345 I HN 0.048 nan 8.210 nan 0.000 0.395 346 L N 0.370 121.583 121.223 -0.017 0.000 2.051 346 L HA -0.094 4.248 4.340 0.004 0.000 0.214 346 L C 3.004 179.904 176.870 0.050 0.000 1.076 346 L CA 4.068 58.893 54.840 -0.025 0.000 0.758 346 L CB -2.157 39.866 42.059 -0.060 0.000 0.890 346 L HN 1.115 nan 8.230 nan 0.000 0.433 347 S N -0.256 115.466 115.700 0.036 0.000 2.398 347 S HA -0.153 4.320 4.470 0.004 0.000 0.220 347 S C 2.606 177.243 174.600 0.062 0.000 1.038 347 S CA 3.310 61.534 58.200 0.040 0.000 1.080 347 S CB -1.211 62.003 63.200 0.025 0.000 1.039 347 S HN 1.414 nan 8.310 nan 0.000 0.419 348 S N -0.657 115.080 115.700 0.062 0.000 2.419 348 S HA -0.052 4.420 4.470 0.004 0.000 0.235 348 S C 1.827 176.469 174.600 0.070 0.000 1.019 348 S CA 1.778 60.009 58.200 0.052 0.000 0.982 348 S CB -0.653 62.572 63.200 0.041 0.000 0.789 348 S HN 0.716 nan 8.310 nan 0.000 0.490 349 Y N 1.002 121.290 120.300 -0.019 0.000 2.337 349 Y HA 0.082 4.633 4.550 0.003 0.000 0.293 349 Y C 2.635 178.522 175.900 -0.023 0.000 1.123 349 Y CA 1.151 59.238 58.100 -0.021 0.000 1.201 349 Y CB -0.149 38.296 38.460 -0.025 0.000 1.011 349 Y HN 0.288 nan 8.280 nan 0.000 0.545 350 I N -0.019 120.695 120.570 0.240 0.000 2.233 350 I HA -0.067 4.106 4.170 0.004 0.000 0.243 350 I C 2.492 178.629 176.117 0.033 0.000 1.093 350 I CA 2.002 63.388 61.300 0.144 0.000 1.380 350 I CB -1.884 36.170 38.000 0.091 0.000 1.067 350 I HN 0.444 nan 8.210 nan 0.000 0.413 351 A N -0.275 122.555 122.820 0.017 0.000 1.930 351 A HA -0.088 4.234 4.320 0.004 0.000 0.217 351 A C 2.361 179.920 177.584 -0.043 0.000 1.175 351 A CA 2.467 54.498 52.037 -0.010 0.000 0.627 351 A CB -1.607 17.391 19.000 -0.003 0.000 0.815 351 A HN 1.325 nan 8.150 nan 0.000 0.443 352 H N -1.775 117.251 119.070 -0.072 0.000 2.482 352 H HA 0.157 4.715 4.556 0.004 0.000 0.286 352 H C 2.170 177.390 175.328 -0.180 0.000 1.017 352 H CA 1.223 57.204 56.048 -0.113 0.000 1.322 352 H CB -0.236 29.456 29.762 -0.117 0.000 1.426 352 H HN 0.288 nan 8.280 nan 0.000 0.546 353 R N 0.728 121.074 120.500 -0.256 0.000 2.090 353 R HA -0.052 4.290 4.340 0.004 0.000 0.228 353 R C 2.930 179.162 176.300 -0.114 0.000 1.110 353 R CA 1.583 57.530 56.100 -0.255 0.000 0.973 353 R CB -0.807 29.299 30.300 -0.322 0.000 0.869 353 R HN 0.679 nan 8.270 nan 0.000 0.440 354 R N 0.732 121.189 120.500 -0.072 0.000 2.091 354 R HA -0.139 4.203 4.340 0.004 0.000 0.238 354 R C 2.238 178.514 176.300 -0.040 0.000 1.136 354 R CA 2.196 58.273 56.100 -0.039 0.000 0.959 354 R CB -1.790 28.496 30.300 -0.023 0.000 0.856 354 R HN 0.607 nan 8.270 nan 0.000 0.437 355 E N 0.242 120.413 120.200 -0.048 0.000 2.338 355 E HA 0.294 4.647 4.350 0.004 0.000 0.197 355 E C 2.359 178.934 176.600 -0.042 0.000 1.007 355 E CA 1.267 57.644 56.400 -0.039 0.000 0.849 355 E CB -0.939 28.738 29.700 -0.038 0.000 0.774 355 E HN 0.881 nan 8.360 nan 0.000 0.506 356 V N 0.574 120.452 119.914 -0.059 0.000 2.446 356 V HA 0.202 4.324 4.120 0.004 0.000 0.244 356 V C 2.970 179.041 176.094 -0.038 0.000 1.039 356 V CA 2.462 64.730 62.300 -0.055 0.000 1.045 356 V CB -0.641 31.131 31.823 -0.085 0.000 0.681 356 V HN 0.646 nan 8.190 nan 0.000 0.459 357 I N -0.379 120.170 120.570 -0.036 0.000 2.439 357 I HA 0.170 4.342 4.170 0.004 0.000 0.251 357 I C 2.701 178.806 176.117 -0.019 0.000 1.139 357 I CA 2.475 63.761 61.300 -0.024 0.000 1.438 357 I CB -1.281 36.708 38.000 -0.019 0.000 1.085 357 I HN 0.665 nan 8.210 nan 0.000 0.427 358 L N -0.190 121.021 121.223 -0.020 0.000 2.109 358 L HA 0.397 4.739 4.340 0.004 0.000 0.207 358 L C 2.900 179.761 176.870 -0.015 0.000 1.086 358 L CA 2.347 57.177 54.840 -0.016 0.000 0.760 358 L CB -1.928 40.121 42.059 -0.016 0.000 0.910 358 L HN 0.807 nan 8.230 nan 0.000 0.437 359 A N -0.072 122.739 122.820 -0.016 0.000 1.873 359 A HA -0.068 4.254 4.320 0.004 0.000 0.215 359 A C 2.772 180.349 177.584 -0.012 0.000 1.186 359 A CA 2.917 54.946 52.037 -0.013 0.000 0.616 359 A CB -0.960 18.034 19.000 -0.010 0.000 0.823 359 A HN 0.958 nan 8.150 nan 0.000 0.442 360 R N -0.758 119.735 120.500 -0.012 0.000 2.140 360 R HA -0.202 4.140 4.340 0.004 0.000 0.250 360 R C 2.646 178.939 176.300 -0.011 0.000 1.150 360 R CA 3.095 59.188 56.100 -0.011 0.000 0.966 360 R CB -2.035 28.258 30.300 -0.012 0.000 0.869 360 R HN 0.950 nan 8.270 nan 0.000 0.445 361 S N 1.216 116.909 115.700 -0.012 0.000 2.345 361 S HA -0.140 4.332 4.470 0.004 0.000 0.220 361 S C 2.261 176.855 174.600 -0.011 0.000 1.031 361 S CA 1.318 59.512 58.200 -0.011 0.000 0.996 361 S CB -0.200 62.994 63.200 -0.010 0.000 0.882 361 S HN 0.581 nan 8.310 nan 0.000 0.445 362 R N 0.348 120.840 120.500 -0.012 0.000 2.122 362 R HA -0.166 4.177 4.340 0.004 0.000 0.236 362 R C 2.307 178.598 176.300 -0.015 0.000 1.129 362 R CA 2.072 58.164 56.100 -0.014 0.000 0.925 362 R CB -1.810 28.482 30.300 -0.014 0.000 0.850 362 R HN 0.563 nan 8.270 nan 0.000 0.431 363 F N 1.012 120.953 119.950 -0.016 0.000 1.990 363 F HA -0.247 4.282 4.527 0.004 0.000 0.294 363 F C 2.848 178.638 175.800 -0.016 0.000 1.177 363 F CA 2.834 60.823 58.000 -0.018 0.000 1.167 363 F CB -1.736 37.252 39.000 -0.019 0.000 0.971 363 F HN 0.390 nan 8.300 nan 0.000 0.483 364 D N 0.175 120.567 120.400 -0.014 0.000 2.248 364 D HA -0.338 4.304 4.640 0.004 0.000 0.189 364 D C 2.198 178.492 176.300 -0.010 0.000 1.011 364 D CA 4.435 58.428 54.000 -0.012 0.000 0.868 364 D CB -1.560 39.234 40.800 -0.011 0.000 0.931 364 D HN 0.938 nan 8.370 nan 0.000 0.449 365 K N -0.245 120.149 120.400 -0.010 0.000 2.059 365 K HA -0.031 4.291 4.320 0.004 0.000 0.212 365 K C 2.635 179.229 176.600 -0.010 0.000 1.050 365 K CA 3.160 59.442 56.287 -0.008 0.000 0.927 365 K CB -1.736 30.758 32.500 -0.009 0.000 0.714 365 K HN 1.012 nan 8.250 nan 0.000 0.447 366 E N 0.285 120.477 120.200 -0.013 0.000 2.097 366 E HA -0.197 4.155 4.350 0.004 0.000 0.196 366 E C 2.474 179.065 176.600 -0.014 0.000 1.000 366 E CA 2.855 59.245 56.400 -0.017 0.000 0.804 366 E CB -1.316 28.372 29.700 -0.021 0.000 0.740 366 E HN 0.854 nan 8.360 nan 0.000 0.454 367 K N 0.162 120.554 120.400 -0.012 0.000 2.103 367 K HA 0.450 4.773 4.320 0.004 0.000 0.204 367 K C 2.696 179.295 176.600 -0.002 0.000 1.052 367 K CA 1.605 57.887 56.287 -0.009 0.000 0.945 367 K CB -0.941 31.552 32.500 -0.011 0.000 0.722 367 K HN 0.785 nan 8.250 nan 0.000 0.443 368 A N 1.716 124.535 122.820 -0.001 0.000 1.835 368 A HA -0.223 4.099 4.320 0.004 0.000 0.215 368 A C 2.227 179.818 177.584 0.012 0.000 1.199 368 A CA 1.872 53.911 52.037 0.004 0.000 0.615 368 A CB -0.569 18.433 19.000 0.002 0.000 0.838 368 A HN 0.686 nan 8.150 nan 0.000 0.444 369 E N -0.294 119.911 120.200 0.008 0.000 2.086 369 E HA -0.311 4.042 4.350 0.004 0.000 0.205 369 E C 2.423 179.041 176.600 0.030 0.000 1.027 369 E CA 2.203 58.611 56.400 0.015 0.000 0.830 369 E CB -0.403 29.294 29.700 -0.005 0.000 0.751 369 E HN 0.654 nan 8.360 nan 0.000 0.456 370 K N 1.007 121.415 120.400 0.014 0.000 2.103 370 K HA -0.151 4.172 4.320 0.004 0.000 0.207 370 K C 2.291 178.923 176.600 0.053 0.000 1.048 370 K CA 2.127 58.427 56.287 0.023 0.000 0.930 370 K CB -1.519 30.982 32.500 0.003 0.000 0.716 370 K HN 0.305 nan 8.250 nan 0.000 0.444 371 R N -0.108 120.413 120.500 0.036 0.000 2.066 371 R HA 0.325 4.667 4.340 0.004 0.000 0.232 371 R C 2.970 179.295 176.300 0.042 0.000 1.131 371 R CA 1.972 58.091 56.100 0.032 0.000 0.955 371 R CB -1.780 28.530 30.300 0.016 0.000 0.851 371 R HN 0.958 nan 8.270 nan 0.000 0.432 372 L N 0.170 121.422 121.223 0.048 0.000 2.362 372 L HA 0.071 4.413 4.340 0.004 0.000 0.219 372 L C 2.389 179.297 176.870 0.063 0.000 1.134 372 L CA 2.724 57.590 54.840 0.042 0.000 0.807 372 L CB -1.438 40.643 42.059 0.037 0.000 0.927 372 L HN 0.849 nan 8.230 nan 0.000 0.447 373 H N -1.160 117.906 119.070 -0.006 0.000 2.520 373 H HA 0.180 4.738 4.556 0.004 0.000 0.279 373 H C 2.160 177.485 175.328 -0.005 0.000 0.990 373 H CA 1.760 57.805 56.048 -0.005 0.000 1.288 373 H CB 0.309 30.068 29.762 -0.006 0.000 1.446 373 H HN 0.428 nan 8.280 nan 0.000 0.538 374 I N 0.572 121.178 120.570 0.060 0.000 2.286 374 I HA 0.059 4.231 4.170 0.004 0.000 0.245 374 I C 2.697 178.791 176.117 -0.038 0.000 1.104 374 I CA 1.680 62.983 61.300 0.004 0.000 1.397 374 I CB -1.775 36.242 38.000 0.029 0.000 1.072 374 I HN 0.427 nan 8.210 nan 0.000 0.417 375 V N 0.656 120.556 119.914 -0.023 0.000 2.222 375 V HA -0.171 3.952 4.120 0.004 0.000 0.240 375 V C 2.689 178.749 176.094 -0.056 0.000 1.040 375 V CA 4.696 66.978 62.300 -0.029 0.000 0.988 375 V CB -1.732 30.083 31.823 -0.014 0.000 0.633 375 V HN 0.833 nan 8.190 nan 0.000 0.452 376 E N 0.122 120.285 120.200 -0.061 0.000 2.277 376 E HA -0.303 4.049 4.350 0.004 0.000 0.216 376 E C 2.631 179.157 176.600 -0.124 0.000 1.068 376 E CA 3.404 59.753 56.400 -0.084 0.000 0.866 376 E CB -1.883 27.763 29.700 -0.089 0.000 0.749 376 E HN 1.350 nan 8.360 nan 0.000 0.465 377 G N 0.037 108.731 108.800 -0.177 0.000 2.524 377 G HA2 0.054 4.016 3.960 0.004 0.000 0.215 377 G HA3 0.054 4.016 3.960 0.004 0.000 0.215 377 G C 2.108 176.958 174.900 -0.084 0.000 1.239 377 G CA 2.704 47.710 45.100 -0.155 0.000 0.798 377 G HN 1.412 nan 8.290 nan 0.000 0.557 378 L N 0.940 122.126 121.223 -0.062 0.000 2.081 378 L HA 0.159 4.502 4.340 0.004 0.000 0.212 378 L C 3.498 180.348 176.870 -0.033 0.000 1.080 378 L CA 3.299 58.116 54.840 -0.039 0.000 0.754 378 L CB -1.842 40.200 42.059 -0.027 0.000 0.893 378 L HN 0.641 nan 8.230 nan 0.000 0.433 379 I N -0.648 119.901 120.570 -0.035 0.000 2.039 379 I HA -0.192 3.980 4.170 0.004 0.000 0.233 379 I C 3.145 179.244 176.117 -0.029 0.000 1.040 379 I CA 4.784 66.067 61.300 -0.029 0.000 1.308 379 I CB -2.005 35.978 38.000 -0.028 0.000 1.035 379 I HN 0.819 nan 8.210 nan 0.000 0.392 380 R N 0.334 120.812 120.500 -0.037 0.000 2.228 380 R HA -0.133 4.209 4.340 0.004 0.000 0.264 380 R C 2.782 179.065 176.300 -0.028 0.000 1.179 380 R CA 3.609 59.689 56.100 -0.034 0.000 0.998 380 R CB -2.451 27.822 30.300 -0.045 0.000 0.885 380 R HN 2.004 nan 8.270 nan 0.000 0.466 381 V N 0.403 120.299 119.914 -0.030 0.000 2.231 381 V HA -0.047 4.075 4.120 0.004 0.000 0.248 381 V C 3.165 179.248 176.094 -0.018 0.000 1.054 381 V CA 4.697 66.984 62.300 -0.023 0.000 1.015 381 V CB -1.468 30.342 31.823 -0.022 0.000 0.638 381 V HN 1.002 nan 8.190 nan 0.000 0.444 382 I N 0.264 120.823 120.570 -0.017 0.000 2.121 382 I HA -0.331 3.841 4.170 0.004 0.000 0.243 382 I C 2.992 179.102 176.117 -0.012 0.000 1.047 382 I CA 4.376 65.668 61.300 -0.013 0.000 1.308 382 I CB -1.742 36.250 38.000 -0.013 0.000 1.015 382 I HN 0.917 nan 8.210 nan 0.000 0.410 383 S N 0.191 115.883 115.700 -0.013 0.000 2.380 383 S HA -0.030 4.442 4.470 0.004 0.000 0.229 383 S C 2.068 176.662 174.600 -0.010 0.000 1.050 383 S CA 3.801 61.994 58.200 -0.011 0.000 1.100 383 S CB -1.121 62.072 63.200 -0.012 0.000 0.984 383 S HN 2.091 nan 8.310 nan 0.000 0.434 384 I N 1.163 121.727 120.570 -0.011 0.000 3.805 384 I HA 0.773 4.945 4.170 0.004 0.000 0.337 384 I C 2.180 178.292 176.117 -0.009 0.000 1.539 384 I CA 0.629 61.923 61.300 -0.009 0.000 1.176 384 I CB -1.405 36.589 38.000 -0.009 0.000 1.248 384 I HN 0.729 nan 8.210 nan 0.000 0.437 385 L N -1.031 120.187 121.223 -0.009 0.000 2.127 385 L HA -0.197 4.145 4.340 0.004 0.000 0.211 385 L C 2.197 179.063 176.870 -0.007 0.000 1.089 385 L CA 3.050 57.885 54.840 -0.008 0.000 0.757 385 L CB -1.063 40.992 42.059 -0.008 0.000 0.899 385 L HN 0.656 nan 8.230 nan 0.000 0.434 386 D N -1.215 119.181 120.400 -0.006 0.000 2.137 386 D HA -0.124 4.518 4.640 0.004 0.000 0.202 386 D C 2.166 178.464 176.300 -0.005 0.000 0.970 386 D CA 1.282 55.279 54.000 -0.005 0.000 0.837 386 D CB 0.148 40.945 40.800 -0.004 0.000 0.981 386 D HN 0.673 nan 8.370 nan 0.000 0.475 387 E N 0.067 120.264 120.200 -0.005 0.000 2.072 387 E HA -0.044 4.309 4.350 0.004 0.000 0.191 387 E C 2.239 178.836 176.600 -0.004 0.000 0.985 387 E CA 1.149 57.546 56.400 -0.004 0.000 0.801 387 E CB -0.411 29.287 29.700 -0.005 0.000 0.750 387 E HN 0.334 nan 8.360 nan 0.000 0.452 388 V N 1.404 121.314 119.914 -0.005 0.000 2.307 388 V HA -0.168 3.955 4.120 0.004 0.000 0.245 388 V C 2.587 178.679 176.094 -0.004 0.000 1.045 388 V CA 2.711 65.008 62.300 -0.005 0.000 1.024 388 V CB -1.294 30.525 31.823 -0.007 0.000 0.651 388 V HN 0.270 nan 8.190 nan 0.000 0.449 389 I N -0.270 120.297 120.570 -0.005 0.000 2.700 389 I HA 0.187 4.359 4.170 0.004 0.000 0.261 389 I C 2.507 178.622 176.117 -0.003 0.000 1.219 389 I CA 2.628 63.926 61.300 -0.004 0.000 1.463 389 I CB -1.462 36.535 38.000 -0.004 0.000 1.092 389 I HN 0.645 nan 8.210 nan 0.000 0.452 390 A N -0.803 122.015 122.820 -0.003 0.000 1.956 390 A HA 0.190 4.513 4.320 0.004 0.000 0.212 390 A C 2.292 179.875 177.584 -0.002 0.000 1.188 390 A CA 0.954 52.989 52.037 -0.003 0.000 0.675 390 A CB -0.454 18.544 19.000 -0.003 0.000 0.845 390 A HN 0.669 nan 8.150 nan 0.000 0.455 391 L N 0.225 121.447 121.223 -0.003 0.000 2.042 391 L HA -0.211 4.131 4.340 0.004 0.000 0.210 391 L C 2.786 179.655 176.870 -0.002 0.000 1.076 391 L CA 1.863 56.702 54.840 -0.002 0.000 0.749 391 L CB -0.247 41.810 42.059 -0.003 0.000 0.893 391 L HN 0.437 nan 8.230 nan 0.000 0.432 392 I N -1.198 119.370 120.570 -0.002 0.000 2.394 392 I HA -0.234 3.938 4.170 0.004 0.000 0.251 392 I C 2.541 178.657 176.117 -0.001 0.000 1.136 392 I CA 1.830 63.129 61.300 -0.002 0.000 1.425 392 I CB -1.108 36.891 38.000 -0.002 0.000 1.079 392 I HN 0.315 nan 8.210 nan 0.000 0.425 393 R N 0.884 121.383 120.500 -0.002 0.000 2.080 393 R HA -0.088 4.255 4.340 0.004 0.000 0.236 393 R C 2.522 178.821 176.300 -0.001 0.000 1.137 393 R CA 1.577 57.676 56.100 -0.001 0.000 0.943 393 R CB -0.515 29.784 30.300 -0.001 0.000 0.846 393 R HN 0.628 nan 8.270 nan 0.000 0.431 394 A N 0.455 123.274 122.820 -0.001 0.000 2.206 394 A HA 0.018 4.340 4.320 0.004 0.000 0.211 394 A C 2.249 179.833 177.584 -0.001 0.000 1.158 394 A CA 1.366 53.403 52.037 -0.001 0.000 0.761 394 A CB -0.542 18.458 19.000 -0.001 0.000 0.801 394 A HN 0.501 nan 8.150 nan 0.000 0.473 395 S N -1.624 114.075 115.700 -0.001 0.000 2.447 395 S HA 0.295 4.767 4.470 0.004 0.000 0.233 395 S C 1.130 175.730 174.600 -0.000 0.000 1.006 395 S CA 2.499 60.699 58.200 -0.000 0.000 0.957 395 S CB -0.341 62.859 63.200 -0.000 0.000 0.773 395 S HN 1.778 nan 8.310 nan 0.000 0.507 396 E N -2.227 117.973 120.200 -0.000 0.000 2.555 396 E HA 0.139 4.491 4.350 0.004 0.000 0.236 396 E C 0.292 176.892 176.600 -0.000 0.000 1.233 396 E CA 1.203 57.603 56.400 -0.000 0.000 1.423 396 E CB -2.299 27.401 29.700 0.000 0.000 2.014 396 E HN 1.905 nan 8.360 nan 0.000 0.610 397 N N 1.080 119.780 118.700 0.000 0.000 2.399 397 N HA 0.609 5.351 4.740 0.004 0.000 0.250 397 N C 1.701 177.212 175.510 0.000 0.000 1.272 397 N CA 1.812 54.863 53.050 0.000 0.000 0.928 397 N CB -0.063 38.424 38.487 0.000 0.000 1.158 397 N HN 1.831 nan 8.380 nan 0.000 0.463 398 K N -0.178 120.222 120.400 0.000 0.000 2.020 398 K HA 0.026 4.348 4.320 0.004 0.000 0.212 398 K C 2.709 179.310 176.600 0.001 0.000 1.050 398 K CA 2.586 58.873 56.287 0.001 0.000 0.929 398 K CB -1.547 30.953 32.500 0.001 0.000 0.714 398 K HN 1.396 nan 8.250 nan 0.000 0.443 399 A N 1.322 124.143 122.820 0.001 0.000 1.873 399 A HA -0.108 4.214 4.320 0.004 0.000 0.218 399 A C 2.420 180.005 177.584 0.002 0.000 1.193 399 A CA 2.717 54.755 52.037 0.002 0.000 0.629 399 A CB -1.556 17.444 19.000 0.001 0.000 0.826 399 A HN 0.848 nan 8.150 nan 0.000 0.447 400 D N -0.862 119.538 120.400 0.001 0.000 2.389 400 D HA 0.237 4.879 4.640 0.004 0.000 0.221 400 D C 1.809 178.110 176.300 0.001 0.000 0.974 400 D CA 1.863 55.864 54.000 0.001 0.000 0.923 400 D CB -0.473 40.328 40.800 0.001 0.000 0.892 400 D HN 0.780 nan 8.370 nan 0.000 0.518 401 A N -0.210 122.611 122.820 0.001 0.000 1.887 401 A HA 0.361 4.683 4.320 0.004 0.000 0.212 401 A C 2.551 180.135 177.584 0.001 0.000 1.198 401 A CA 2.099 54.137 52.037 0.001 0.000 0.628 401 A CB -0.525 18.475 19.000 0.000 0.000 0.847 401 A HN 0.645 nan 8.150 nan 0.000 0.449 402 K N -0.578 119.824 120.400 0.002 0.000 2.025 402 K HA -0.007 4.315 4.320 0.004 0.000 0.207 402 K C 2.180 178.782 176.600 0.004 0.000 1.049 402 K CA 2.415 58.703 56.287 0.003 0.000 0.933 402 K CB -1.699 30.804 32.500 0.005 0.000 0.714 402 K HN 0.751 nan 8.250 nan 0.000 0.438 403 E N 0.432 120.634 120.200 0.004 0.000 2.045 403 E HA -0.338 4.014 4.350 0.004 0.000 0.212 403 E C 2.328 178.930 176.600 0.003 0.000 1.039 403 E CA 2.837 59.239 56.400 0.004 0.000 0.860 403 E CB -2.110 27.592 29.700 0.003 0.000 0.776 403 E HN 0.998 nan 8.360 nan 0.000 0.467 404 N N -0.580 118.121 118.700 0.002 0.000 2.396 404 N HA -0.025 4.718 4.740 0.004 0.000 0.191 404 N C 1.659 177.169 175.510 0.001 0.000 1.015 404 N CA 1.638 54.689 53.050 0.001 0.000 0.893 404 N CB -0.915 37.572 38.487 0.001 0.000 0.956 404 N HN 0.580 nan 8.380 nan 0.000 0.445 405 L N 0.468 121.692 121.223 0.001 0.000 2.919 405 L HA 0.430 4.772 4.340 0.004 0.000 0.242 405 L C 2.348 179.220 176.870 0.002 0.000 1.366 405 L CA 0.807 55.648 54.840 0.001 0.000 1.212 405 L CB -1.459 40.600 42.059 0.000 0.000 1.604 405 L HN 0.883 nan 8.230 nan 0.000 0.433 406 K N -0.331 120.071 120.400 0.003 0.000 2.044 406 K HA 0.342 4.664 4.320 0.004 0.000 0.204 406 K C 1.233 177.834 176.600 0.002 0.000 1.049 406 K CA 1.478 57.767 56.287 0.003 0.000 0.945 406 K CB -0.870 31.632 32.500 0.003 0.000 0.724 406 K HN 0.704 nan 8.250 nan 0.000 0.440 407 V N -1.164 118.750 119.914 0.000 0.000 3.851 407 V HA 0.496 4.618 4.120 0.004 0.000 0.268 407 V C 1.993 178.085 176.094 -0.002 0.000 0.933 407 V CA 1.855 64.154 62.300 -0.001 0.000 0.934 407 V CB -0.773 31.049 31.823 -0.001 0.000 1.231 407 V HN 1.431 nan 8.190 nan 0.000 0.412 408 S N -3.039 112.659 115.700 -0.003 0.000 2.189 408 S HA -0.089 4.383 4.470 0.004 0.000 0.208 408 S C 1.069 175.665 174.600 -0.006 0.000 1.231 408 S CA 3.575 61.772 58.200 -0.005 0.000 1.820 408 S CB -1.919 61.278 63.200 -0.006 0.000 2.535 408 S HN 2.902 nan 8.310 nan 0.000 0.618 409 Y N -1.282 119.014 120.300 -0.006 0.000 2.670 409 Y HA 0.631 5.183 4.550 0.004 0.000 0.334 409 Y C -0.415 175.483 175.900 -0.003 0.000 1.185 409 Y CA -0.118 57.977 58.100 -0.008 0.000 1.053 409 Y CB 0.489 38.940 38.460 -0.014 0.000 1.298 409 Y HN 0.262 nan 8.280 nan 0.000 0.459 410 D N 1.314 121.713 120.400 -0.002 0.000 3.134 410 D HA 0.446 5.088 4.640 0.004 0.000 0.248 410 D C 0.187 176.493 176.300 0.010 0.000 1.273 410 D CA 0.474 54.477 54.000 0.006 0.000 0.904 410 D CB -1.237 39.568 40.800 0.009 0.000 1.089 410 D HN 0.826 nan 8.370 nan 0.000 0.478 411 F N -0.486 119.466 119.950 0.004 0.000 2.380 411 F HA 0.674 5.203 4.527 0.004 0.000 0.325 411 F C 1.200 177.019 175.800 0.032 0.000 1.136 411 F CA -0.441 57.562 58.000 0.005 0.000 1.171 411 F CB -0.162 38.831 39.000 -0.012 0.000 1.230 411 F HN 0.206 nan 8.300 nan 0.000 0.554 412 T N -0.339 114.254 114.554 0.065 0.000 2.936 412 T HA 0.485 4.837 4.350 0.004 0.000 0.282 412 T C 1.020 175.755 174.700 0.058 0.000 1.003 412 T CA 0.377 62.526 62.100 0.082 0.000 1.005 412 T CB 0.468 69.430 68.868 0.157 0.000 1.097 412 T HN 0.871 nan 8.240 nan 0.000 0.532 413 E N 0.931 121.157 120.200 0.043 0.000 2.028 413 E HA -0.248 4.104 4.350 0.004 0.000 0.217 413 E C 2.121 178.746 176.600 0.041 0.000 1.039 413 E CA 2.656 59.074 56.400 0.031 0.000 0.882 413 E CB -0.118 29.594 29.700 0.020 0.000 0.794 413 E HN 0.784 nan 8.360 nan 0.000 0.488 414 E N 0.050 120.280 120.200 0.050 0.000 2.187 414 E HA -0.347 4.006 4.350 0.004 0.000 0.199 414 E C 2.130 178.778 176.600 0.080 0.000 1.004 414 E CA 2.295 58.733 56.400 0.062 0.000 0.813 414 E CB -1.013 28.727 29.700 0.067 0.000 0.736 414 E HN 0.536 nan 8.360 nan 0.000 0.468 415 Q N 1.454 121.313 119.800 0.099 0.000 2.016 415 Q HA 0.102 4.444 4.340 0.004 0.000 0.200 415 Q C 2.458 178.468 176.000 0.016 0.000 0.978 415 Q CA 2.347 58.178 55.803 0.046 0.000 0.833 415 Q CB -0.974 27.784 28.738 0.032 0.000 0.895 415 Q HN 0.584 nan 8.270 nan 0.000 0.427 416 A N 0.789 123.622 122.820 0.021 0.000 1.858 416 A HA 0.093 4.416 4.320 0.004 0.000 0.216 416 A C 2.407 179.997 177.584 0.009 0.000 1.190 416 A CA 3.022 55.066 52.037 0.010 0.000 0.617 416 A CB -1.254 17.753 19.000 0.012 0.000 0.827 416 A HN 0.929 nan 8.150 nan 0.000 0.443 417 E N -0.415 119.793 120.200 0.014 0.000 2.059 417 E HA -0.284 4.068 4.350 0.004 0.000 0.237 417 E C 2.426 179.031 176.600 0.007 0.000 1.023 417 E CA 3.219 59.625 56.400 0.011 0.000 0.918 417 E CB -1.607 28.102 29.700 0.014 0.000 0.824 417 E HN 1.525 nan 8.360 nan 0.000 0.534 418 A N 0.530 123.355 122.820 0.009 0.000 1.971 418 A HA -0.014 4.308 4.320 0.004 0.000 0.222 418 A C 2.809 180.392 177.584 -0.001 0.000 1.182 418 A CA 4.183 56.222 52.037 0.004 0.000 0.649 418 A CB -1.395 17.608 19.000 0.004 0.000 0.818 418 A HN 1.641 nan 8.150 nan 0.000 0.458 419 I N -1.005 119.564 120.570 -0.003 0.000 2.226 419 I HA 0.118 4.290 4.170 0.004 0.000 0.245 419 I C 2.715 178.830 176.117 -0.003 0.000 1.100 419 I CA 2.551 63.847 61.300 -0.006 0.000 1.374 419 I CB -1.759 36.236 38.000 -0.008 0.000 1.057 419 I HN 0.615 nan 8.210 nan 0.000 0.413 420 V N -0.267 119.647 119.914 -0.001 0.000 3.129 420 V HA 0.269 4.391 4.120 0.004 0.000 0.259 420 V C 2.220 178.314 176.094 -0.000 0.000 1.116 420 V CA 2.423 64.723 62.300 -0.000 0.000 1.127 420 V CB -1.436 30.387 31.823 0.001 0.000 0.742 420 V HN 0.792 nan 8.190 nan 0.000 0.474 421 T N -1.435 113.118 114.554 -0.000 0.000 3.243 421 T HA 0.549 4.901 4.350 0.004 0.000 0.264 421 T C 1.393 176.093 174.700 -0.001 0.000 1.000 421 T CA 0.768 62.868 62.100 -0.000 0.000 0.901 421 T CB -0.365 68.503 68.868 0.001 0.000 1.083 421 T HN 1.004 nan 8.240 nan 0.000 0.559 422 L N -0.320 120.901 121.223 -0.002 0.000 2.552 422 L HA 0.555 4.898 4.340 0.004 0.000 0.227 422 L C 0.954 177.822 176.870 -0.003 0.000 1.146 422 L CA 1.115 55.953 54.840 -0.003 0.000 0.858 422 L CB -1.479 40.577 42.059 -0.005 0.000 0.969 422 L HN 0.873 nan 8.230 nan 0.000 0.451 423 Q N -2.069 117.730 119.800 -0.002 0.000 3.185 423 Q HA -0.168 4.174 4.340 0.004 0.000 0.034 423 Q C 0.452 176.450 176.000 -0.002 0.000 1.683 423 Q CA 0.507 56.309 55.803 -0.002 0.000 0.263 423 Q CB -0.467 28.270 28.738 -0.002 0.000 0.583 423 Q HN 0.405 nan 8.270 nan 0.000 0.322 424 L N 3.787 125.009 121.223 -0.002 0.000 2.131 424 L HA -0.167 4.176 4.340 0.004 0.000 0.210 424 L C 2.670 179.539 176.870 -0.003 0.000 1.092 424 L CA 2.675 57.513 54.840 -0.002 0.000 0.759 424 L CB -2.128 39.930 42.059 -0.002 0.000 0.903 424 L HN 0.826 nan 8.230 nan 0.000 0.435 425 Y N -0.434 119.865 120.300 -0.002 0.000 2.002 425 Y HA -0.446 4.106 4.550 0.004 0.000 0.268 425 Y C 2.882 178.780 175.900 -0.003 0.000 1.177 425 Y CA 2.712 60.811 58.100 -0.002 0.000 1.111 425 Y CB -1.427 37.032 38.460 -0.002 0.000 0.952 425 Y HN 0.338 nan 8.280 nan 0.000 0.491 426 R N 0.282 120.780 120.500 -0.003 0.000 2.377 426 R HA 0.098 4.440 4.340 0.004 0.000 0.207 426 R C 2.284 178.581 176.300 -0.005 0.000 1.075 426 R CA 0.661 56.758 56.100 -0.004 0.000 1.035 426 R CB -1.887 28.411 30.300 -0.004 0.000 0.857 426 R HN 1.122 nan 8.270 nan 0.000 0.475 427 L N -0.175 121.046 121.223 -0.004 0.000 2.633 427 L HA 0.381 4.723 4.340 0.004 0.000 0.235 427 L C 1.637 178.504 176.870 -0.004 0.000 1.163 427 L CA 1.699 56.536 54.840 -0.004 0.000 0.859 427 L CB -2.186 39.871 42.059 -0.004 0.000 0.973 427 L HN 0.506 nan 8.230 nan 0.000 0.451 428 T N -0.771 113.780 114.554 -0.004 0.000 2.769 428 T HA 0.424 4.777 4.350 0.004 0.000 0.293 428 T C 1.080 175.777 174.700 -0.005 0.000 0.931 428 T CA 0.129 62.227 62.100 -0.004 0.000 1.139 428 T CB -0.864 68.001 68.868 -0.004 0.000 0.881 428 T HN 0.964 nan 8.240 nan 0.000 0.532 429 N N 2.558 121.255 118.700 -0.005 0.000 2.466 429 N HA 0.330 5.072 4.740 0.004 0.000 0.211 429 N C 1.973 177.480 175.510 -0.006 0.000 1.256 429 N CA 0.921 53.968 53.050 -0.006 0.000 0.840 429 N CB -1.155 37.328 38.487 -0.006 0.000 1.079 429 N HN 1.017 nan 8.380 nan 0.000 0.466 430 T N -1.545 113.006 114.554 -0.005 0.000 2.795 430 T HA -0.168 4.184 4.350 0.004 0.000 0.266 430 T C 1.702 176.398 174.700 -0.006 0.000 1.056 430 T CA 2.326 64.422 62.100 -0.005 0.000 1.141 430 T CB -1.202 67.663 68.868 -0.005 0.000 0.840 430 T HN 0.695 nan 8.240 nan 0.000 0.493 431 D N 0.090 120.486 120.400 -0.007 0.000 2.352 431 D HA 0.482 5.124 4.640 0.004 0.000 0.232 431 D C 2.288 178.582 176.300 -0.009 0.000 1.055 431 D CA 1.088 55.084 54.000 -0.008 0.000 0.891 431 D CB -1.007 39.788 40.800 -0.009 0.000 0.897 431 D HN 0.716 nan 8.370 nan 0.000 0.529 432 V N 0.296 120.205 119.914 -0.008 0.000 2.255 432 V HA 0.123 4.245 4.120 0.004 0.000 0.247 432 V C 2.989 179.078 176.094 -0.008 0.000 1.051 432 V CA 3.329 65.625 62.300 -0.008 0.000 1.018 432 V CB -0.723 31.095 31.823 -0.007 0.000 0.641 432 V HN 0.622 nan 8.190 nan 0.000 0.445 433 V N -1.053 118.857 119.914 -0.007 0.000 2.672 433 V HA 0.326 4.449 4.120 0.004 0.000 0.242 433 V C 2.604 178.694 176.094 -0.006 0.000 1.059 433 V CA 2.389 64.685 62.300 -0.006 0.000 1.081 433 V CB -0.329 31.491 31.823 -0.005 0.000 0.752 433 V HN 0.693 nan 8.190 nan 0.000 0.472 434 V N 0.272 120.183 119.914 -0.006 0.000 2.221 434 V HA -0.146 3.976 4.120 0.004 0.000 0.244 434 V C 2.962 179.052 176.094 -0.007 0.000 1.043 434 V CA 4.830 67.127 62.300 -0.006 0.000 0.996 434 V CB -1.321 30.499 31.823 -0.006 0.000 0.636 434 V HN 1.215 nan 8.190 nan 0.000 0.454 435 L N -0.847 120.371 121.223 -0.008 0.000 2.082 435 L HA -0.322 4.020 4.340 0.004 0.000 0.223 435 L C 2.902 179.766 176.870 -0.010 0.000 1.086 435 L CA 5.495 60.329 54.840 -0.010 0.000 0.793 435 L CB -2.320 39.731 42.059 -0.013 0.000 0.896 435 L HN 1.195 nan 8.230 nan 0.000 0.441 436 Q N -0.871 118.923 119.800 -0.010 0.000 2.118 436 Q HA -0.327 4.016 4.340 0.004 0.000 0.211 436 Q C 2.322 178.318 176.000 -0.007 0.000 0.998 436 Q CA 4.123 59.921 55.803 -0.009 0.000 0.872 436 Q CB -1.733 27.001 28.738 -0.008 0.000 0.925 436 Q HN 1.392 nan 8.270 nan 0.000 0.414 437 E N 0.035 120.231 120.200 -0.006 0.000 2.153 437 E HA -0.017 4.335 4.350 0.004 0.000 0.194 437 E C 2.118 178.716 176.600 -0.004 0.000 0.988 437 E CA 2.387 58.784 56.400 -0.005 0.000 0.811 437 E CB -1.232 28.465 29.700 -0.004 0.000 0.746 437 E HN 1.025 nan 8.360 nan 0.000 0.466 438 E N 0.086 120.283 120.200 -0.005 0.000 2.085 438 E HA -0.129 4.223 4.350 0.004 0.000 0.194 438 E C 2.324 178.922 176.600 -0.003 0.000 0.994 438 E CA 2.483 58.881 56.400 -0.004 0.000 0.801 438 E CB -1.452 28.245 29.700 -0.005 0.000 0.743 438 E HN 0.910 nan 8.360 nan 0.000 0.453 439 E N -0.014 120.183 120.200 -0.005 0.000 2.187 439 E HA 0.050 4.403 4.350 0.004 0.000 0.199 439 E C 2.283 178.883 176.600 -0.000 0.000 1.004 439 E CA 2.279 58.677 56.400 -0.004 0.000 0.813 439 E CB -0.751 28.945 29.700 -0.007 0.000 0.736 439 E HN 1.034 nan 8.360 nan 0.000 0.468 440 A N -0.731 122.088 122.820 -0.001 0.000 2.220 440 A HA 0.444 4.766 4.320 0.004 0.000 0.211 440 A C 2.254 179.838 177.584 -0.000 0.000 1.176 440 A CA 1.392 53.429 52.037 -0.000 0.000 0.834 440 A CB -0.060 18.939 19.000 -0.001 0.000 0.868 440 A HN 0.623 nan 8.150 nan 0.000 0.488 441 E N -0.542 119.658 120.200 -0.000 0.000 2.005 441 E HA 0.122 4.474 4.350 0.004 0.000 0.191 441 E C 2.261 178.861 176.600 0.001 0.000 0.987 441 E CA 1.726 58.125 56.400 -0.001 0.000 0.814 441 E CB -1.475 28.224 29.700 -0.001 0.000 0.772 441 E HN 1.150 nan 8.360 nan 0.000 0.453 442 L N 0.674 121.898 121.223 0.002 0.000 2.265 442 L HA 0.157 4.499 4.340 0.004 0.000 0.215 442 L C 2.624 179.498 176.870 0.006 0.000 1.117 442 L CA 2.592 57.434 54.840 0.004 0.000 0.782 442 L CB -1.312 40.751 42.059 0.007 0.000 0.914 442 L HN 0.501 nan 8.230 nan 0.000 0.441 443 R N -0.344 120.159 120.500 0.005 0.000 2.119 443 R HA -0.042 4.301 4.340 0.004 0.000 0.222 443 R C 2.514 178.816 176.300 0.004 0.000 1.088 443 R CA 1.510 57.613 56.100 0.006 0.000 0.984 443 R CB -0.113 30.191 30.300 0.006 0.000 0.884 443 R HN 0.702 nan 8.270 nan 0.000 0.447 444 E N 0.890 121.092 120.200 0.002 0.000 2.047 444 E HA -0.168 4.184 4.350 0.004 0.000 0.191 444 E C 2.084 178.684 176.600 0.000 0.000 0.987 444 E CA 1.733 58.134 56.400 0.001 0.000 0.799 444 E CB -0.854 28.846 29.700 -0.000 0.000 0.752 444 E HN 0.576 nan 8.360 nan 0.000 0.449 445 K N 0.064 120.464 120.400 0.000 0.000 2.152 445 K HA 0.146 4.468 4.320 0.004 0.000 0.206 445 K C 2.562 179.162 176.600 -0.001 0.000 1.048 445 K CA 2.311 58.598 56.287 -0.001 0.000 0.933 445 K CB -1.669 30.830 32.500 -0.001 0.000 0.721 445 K HN 1.109 nan 8.250 nan 0.000 0.447 446 I N 0.516 121.087 120.570 0.001 0.000 2.252 446 I HA 0.293 4.465 4.170 0.004 0.000 0.245 446 I C 2.883 179.000 176.117 0.000 0.000 1.102 446 I CA 2.255 63.556 61.300 0.002 0.000 1.385 446 I CB -1.593 36.410 38.000 0.005 0.000 1.064 446 I HN 0.621 nan 8.210 nan 0.000 0.414 447 A N -0.407 122.413 122.820 0.001 0.000 1.898 447 A HA -0.086 4.237 4.320 0.004 0.000 0.216 447 A C 2.372 179.955 177.584 -0.001 0.000 1.181 447 A CA 2.237 54.274 52.037 -0.000 0.000 0.620 447 A CB -0.647 18.354 19.000 0.000 0.000 0.819 447 A HN 0.809 nan 8.150 nan 0.000 0.442 448 M N 0.395 119.994 119.600 -0.002 0.000 2.065 448 M HA -0.138 4.344 4.480 0.004 0.000 0.259 448 M C 2.229 178.527 176.300 -0.003 0.000 1.071 448 M CA 2.470 57.768 55.300 -0.002 0.000 1.109 448 M CB -0.976 31.623 32.600 -0.003 0.000 1.313 448 M HN 0.409 nan 8.290 nan 0.000 0.408 449 L N -0.806 120.414 121.223 -0.004 0.000 2.046 449 L HA 0.108 4.450 4.340 0.004 0.000 0.208 449 L C 2.620 179.487 176.870 -0.005 0.000 1.077 449 L CA 2.402 57.239 54.840 -0.005 0.000 0.747 449 L CB -2.757 39.299 42.059 -0.006 0.000 0.896 449 L HN 0.661 nan 8.230 nan 0.000 0.432 450 A N -0.646 122.171 122.820 -0.005 0.000 2.019 450 A HA 0.126 4.448 4.320 0.004 0.000 0.219 450 A C 2.755 180.336 177.584 -0.004 0.000 1.164 450 A CA 2.086 54.120 52.037 -0.005 0.000 0.644 450 A CB -0.837 18.160 19.000 -0.004 0.000 0.805 450 A HN 1.317 nan 8.150 nan 0.000 0.449 451 A N -0.030 122.787 122.820 -0.004 0.000 1.898 451 A HA 0.128 4.450 4.320 0.004 0.000 0.216 451 A C 2.335 179.916 177.584 -0.004 0.000 1.181 451 A CA 1.922 53.957 52.037 -0.004 0.000 0.620 451 A CB -1.123 17.875 19.000 -0.003 0.000 0.819 451 A HN 1.211 nan 8.150 nan 0.000 0.442 452 I N -0.518 120.049 120.570 -0.005 0.000 2.700 452 I HA 0.077 4.249 4.170 0.004 0.000 0.261 452 I C 2.576 178.690 176.117 -0.006 0.000 1.219 452 I CA 2.148 63.445 61.300 -0.006 0.000 1.463 452 I CB -1.897 36.099 38.000 -0.007 0.000 1.092 452 I HN 0.579 nan 8.210 nan 0.000 0.452 453 I N 0.018 120.584 120.570 -0.006 0.000 2.852 453 I HA 0.456 4.628 4.170 0.004 0.000 0.264 453 I C 2.523 178.636 176.117 -0.006 0.000 1.179 453 I CA 1.628 62.924 61.300 -0.007 0.000 1.480 453 I CB -1.274 36.722 38.000 -0.007 0.000 1.111 453 I HN 0.450 nan 8.210 nan 0.000 0.441 454 G N 0.226 109.023 108.800 -0.005 0.000 2.656 454 G HA2 0.333 4.295 3.960 0.004 0.000 0.211 454 G HA3 0.333 4.295 3.960 0.004 0.000 0.211 454 G C 0.638 175.535 174.900 -0.004 0.000 1.137 454 G CA 0.984 46.081 45.100 -0.004 0.000 0.802 454 G HN 0.788 nan 8.290 nan 0.000 0.527 455 D N 0.214 120.612 120.400 -0.004 0.000 2.359 455 D HA 0.547 5.190 4.640 0.004 0.000 0.230 455 D C 1.001 177.299 176.300 -0.004 0.000 1.118 455 D CA 0.330 54.328 54.000 -0.003 0.000 0.844 455 D CB 0.182 40.980 40.800 -0.003 0.000 1.059 455 D HN 0.338 nan 8.370 nan 0.000 0.493 456 E N 0.036 120.234 120.200 -0.003 0.000 2.208 456 E HA 0.063 4.416 4.350 0.004 0.000 0.193 456 E C 2.341 178.939 176.600 -0.003 0.000 0.988 456 E CA 1.618 58.016 56.400 -0.004 0.000 0.828 456 E CB -0.599 29.099 29.700 -0.003 0.000 0.763 456 E HN 0.734 nan 8.360 nan 0.000 0.478 457 R N -0.281 120.217 120.500 -0.003 0.000 2.080 457 R HA 0.219 4.561 4.340 0.004 0.000 0.222 457 R C 2.887 179.185 176.300 -0.003 0.000 1.107 457 R CA 2.068 58.166 56.100 -0.003 0.000 0.980 457 R CB -1.707 28.591 30.300 -0.002 0.000 0.879 457 R HN 0.627 nan 8.270 nan 0.000 0.439 458 T N -0.346 114.206 114.554 -0.003 0.000 2.821 458 T HA 0.132 4.484 4.350 0.004 0.000 0.267 458 T C 2.549 177.247 174.700 -0.004 0.000 1.046 458 T CA 3.600 65.698 62.100 -0.003 0.000 1.139 458 T CB -0.587 68.279 68.868 -0.003 0.000 0.871 458 T HN 0.628 nan 8.240 nan 0.000 0.454 459 M N 0.913 120.510 119.600 -0.005 0.000 2.110 459 M HA 0.079 4.561 4.480 0.004 0.000 0.257 459 M C 2.738 179.035 176.300 -0.005 0.000 1.071 459 M CA 3.275 58.572 55.300 -0.005 0.000 1.096 459 M CB -2.515 30.081 32.600 -0.006 0.000 1.300 459 M HN 0.951 nan 8.290 nan 0.000 0.411 460 Y N 0.083 120.380 120.300 -0.004 0.000 2.114 460 Y HA -0.165 4.388 4.550 0.004 0.000 0.282 460 Y C 2.694 178.591 175.900 -0.005 0.000 1.165 460 Y CA 3.591 61.688 58.100 -0.004 0.000 1.148 460 Y CB -2.381 36.075 38.460 -0.006 0.000 0.972 460 Y HN 0.923 nan 8.280 nan 0.000 0.504 461 N N 0.611 119.308 118.700 -0.005 0.000 2.192 461 N HA -0.053 4.689 4.740 0.004 0.000 0.188 461 N C 2.330 177.838 175.510 -0.004 0.000 1.013 461 N CA 3.268 56.315 53.050 -0.005 0.000 0.863 461 N CB -1.124 37.361 38.487 -0.004 0.000 0.990 461 N HN 1.331 nan 8.380 nan 0.000 0.430 462 L N -0.759 120.462 121.223 -0.004 0.000 1.994 462 L HA 0.236 4.578 4.340 0.004 0.000 0.208 462 L C 3.369 180.238 176.870 -0.001 0.000 1.071 462 L CA 3.636 58.474 54.840 -0.003 0.000 0.745 462 L CB -1.990 40.066 42.059 -0.004 0.000 0.892 462 L HN 0.852 nan 8.230 nan 0.000 0.431 463 M N -0.075 119.525 119.600 0.001 0.000 2.296 463 M HA 0.111 4.594 4.480 0.004 0.000 0.265 463 M C 2.644 178.947 176.300 0.006 0.000 1.064 463 M CA 2.983 58.288 55.300 0.008 0.000 1.109 463 M CB -2.091 30.517 32.600 0.013 0.000 1.396 463 M HN 0.865 nan 8.290 nan 0.000 0.430 464 K N 0.710 121.109 120.400 -0.003 0.000 1.991 464 K HA 0.115 4.437 4.320 0.004 0.000 0.207 464 K C 2.520 179.115 176.600 -0.008 0.000 1.045 464 K CA 2.753 59.034 56.287 -0.010 0.000 0.937 464 K CB -1.700 30.791 32.500 -0.014 0.000 0.720 464 K HN 0.861 nan 8.250 nan 0.000 0.438 465 K N 0.488 120.884 120.400 -0.005 0.000 2.059 465 K HA -0.208 4.114 4.320 0.004 0.000 0.212 465 K C 2.539 179.137 176.600 -0.003 0.000 1.050 465 K CA 2.790 59.074 56.287 -0.004 0.000 0.927 465 K CB -1.710 30.788 32.500 -0.004 0.000 0.714 465 K HN 0.847 nan 8.250 nan 0.000 0.447 466 E N 0.027 120.226 120.200 -0.001 0.000 2.028 466 E HA 0.168 4.520 4.350 0.004 0.000 0.191 466 E C 2.721 179.323 176.600 0.002 0.000 0.988 466 E CA 2.393 58.794 56.400 0.001 0.000 0.799 466 E CB -1.412 28.291 29.700 0.005 0.000 0.755 466 E HN 1.088 nan 8.360 nan 0.000 0.447 467 L N 0.829 122.054 121.223 0.004 0.000 2.046 467 L HA 0.158 4.501 4.340 0.004 0.000 0.208 467 L C 3.129 179.993 176.870 -0.011 0.000 1.077 467 L CA 3.636 58.476 54.840 0.000 0.000 0.747 467 L CB -2.314 39.744 42.059 -0.002 0.000 0.896 467 L HN 0.785 nan 8.230 nan 0.000 0.432 468 R N 0.042 120.534 120.500 -0.012 0.000 2.119 468 R HA -0.198 4.144 4.340 0.004 0.000 0.246 468 R C 2.403 178.699 176.300 -0.008 0.000 1.146 468 R CA 3.404 59.497 56.100 -0.011 0.000 0.962 468 R CB -1.990 28.304 30.300 -0.009 0.000 0.863 468 R HN 1.053 nan 8.270 nan 0.000 0.442 469 E N 0.066 120.263 120.200 -0.006 0.000 2.077 469 E HA 0.122 4.475 4.350 0.004 0.000 0.193 469 E C 2.611 179.208 176.600 -0.005 0.000 0.989 469 E CA 2.017 58.415 56.400 -0.005 0.000 0.800 469 E CB -1.168 28.530 29.700 -0.004 0.000 0.746 469 E HN 1.061 nan 8.360 nan 0.000 0.452 470 V N 0.835 120.746 119.914 -0.006 0.000 2.453 470 V HA 0.061 4.183 4.120 0.004 0.000 0.247 470 V C 2.776 178.865 176.094 -0.010 0.000 1.048 470 V CA 3.359 65.655 62.300 -0.007 0.000 1.049 470 V CB -1.453 30.367 31.823 -0.005 0.000 0.672 470 V HN 0.645 nan 8.190 nan 0.000 0.457 471 K N 0.344 120.737 120.400 -0.011 0.000 2.211 471 K HA -0.094 4.228 4.320 0.004 0.000 0.204 471 K C 2.288 178.884 176.600 -0.006 0.000 1.047 471 K CA 2.641 58.921 56.287 -0.011 0.000 0.935 471 K CB -1.188 31.304 32.500 -0.012 0.000 0.728 471 K HN 0.891 nan 8.250 nan 0.000 0.452 472 K N 0.126 120.523 120.400 -0.005 0.000 2.035 472 K HA 0.252 4.574 4.320 0.004 0.000 0.213 472 K C 2.778 179.376 176.600 -0.004 0.000 1.027 472 K CA 1.981 58.266 56.287 -0.003 0.000 0.950 472 K CB -1.548 30.951 32.500 -0.002 0.000 0.790 472 K HN 0.671 nan 8.250 nan 0.000 0.448 473 K N -0.297 120.101 120.400 -0.005 0.000 2.056 473 K HA -0.183 4.139 4.320 0.004 0.000 0.225 473 K C 2.684 179.281 176.600 -0.006 0.000 1.053 473 K CA 3.933 60.216 56.287 -0.006 0.000 0.966 473 K CB -2.170 30.325 32.500 -0.007 0.000 0.735 473 K HN 1.110 nan 8.250 nan 0.000 0.455 474 F N -0.900 119.046 119.950 -0.008 0.000 2.059 474 F HA 0.528 5.057 4.527 0.004 0.000 0.289 474 F C 2.302 178.098 175.800 -0.006 0.000 1.128 474 F CA 1.163 59.158 58.000 -0.008 0.000 1.181 474 F CB -1.237 37.756 39.000 -0.012 0.000 1.012 474 F HN 1.586 nan 8.300 nan 0.000 0.473 475 A N 0.705 123.521 122.820 -0.007 0.000 2.060 475 A HA 0.265 4.587 4.320 0.004 0.000 0.267 475 A C 0.360 177.942 177.584 -0.003 0.000 1.378 475 A CA 0.785 52.819 52.037 -0.005 0.000 0.733 475 A CB -2.584 16.415 19.000 -0.001 0.000 1.188 475 A HN 2.663 nan 8.150 nan 0.000 0.311 476 T N 2.687 117.237 114.554 -0.007 0.000 2.853 476 T HA 0.511 4.863 4.350 0.004 0.000 0.298 476 T C -0.987 173.713 174.700 -0.000 0.000 0.978 476 T CA -0.349 61.748 62.100 -0.005 0.000 1.152 476 T CB -0.323 68.538 68.868 -0.012 0.000 0.914 476 T HN 0.586 nan 8.240 nan 0.000 0.539 477 P HA 0.446 nan 4.420 nan 0.000 0.268 477 P C 0.654 177.959 177.300 0.008 0.000 1.208 477 P CA -0.382 62.723 63.100 0.008 0.000 0.777 477 P CB 0.287 31.994 31.700 0.012 0.000 0.875 478 R N 0.083 120.589 120.500 0.010 0.000 2.738 478 R HA 0.767 5.109 4.340 0.004 0.000 0.275 478 R C 0.248 176.558 176.300 0.017 0.000 1.121 478 R CA 0.639 56.745 56.100 0.011 0.000 1.207 478 R CB -0.767 29.540 30.300 0.011 0.000 1.141 478 R HN 0.748 nan 8.270 nan 0.000 0.571 479 L N 0.000 121.235 121.223 0.020 0.000 2.949 479 L HA 0.000 4.342 4.340 0.004 0.000 0.249 479 L CA 0.000 54.860 54.840 0.034 0.000 0.813 479 L CB 0.000 42.084 42.059 0.041 0.000 0.961 479 L HN 0.000 nan 8.230 nan 0.000 0.502