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 1t05_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFR KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXXGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQL 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.629 174.600 0.048 0.000 1.055 3 S CA 0.000 58.231 58.200 0.052 0.000 1.107 3 S CB 0.000 63.222 63.200 0.036 0.000 0.593 4 P HA -0.202 nan 4.420 nan 0.000 0.015 4 P C 0.475 177.806 177.300 0.052 0.000 0.657 4 P CA 0.847 63.981 63.100 0.057 0.000 1.034 4 P CB -0.943 30.786 31.700 0.050 0.000 1.908 5 I N -1.486 119.113 120.570 0.050 0.000 2.429 5 I HA -0.025 4.144 4.170 -0.000 0.000 0.247 5 I C 1.345 177.491 176.117 0.047 0.000 1.099 5 I CA 0.350 61.676 61.300 0.043 0.000 1.422 5 I CB 0.007 38.028 38.000 0.036 0.000 1.112 5 I HN 0.071 nan 8.210 nan 0.000 0.430 6 E N 1.867 122.098 120.200 0.053 0.000 2.249 6 E HA 0.172 4.522 4.350 -0.000 0.000 0.280 6 E C -0.687 175.953 176.600 0.067 0.000 1.016 6 E CA -0.331 56.102 56.400 0.055 0.000 0.830 6 E CB 0.990 30.721 29.700 0.052 0.000 1.081 6 E HN 0.147 nan 8.360 nan 0.000 0.395 7 T N 0.488 115.083 114.554 0.067 0.000 2.792 7 T HA 0.419 4.769 4.350 -0.000 0.000 0.280 7 T C -0.041 174.707 174.700 0.080 0.000 0.990 7 T CA -1.007 61.140 62.100 0.079 0.000 0.960 7 T CB 1.096 70.010 68.868 0.077 0.000 0.939 7 T HN 0.240 nan 8.240 nan 0.000 0.439 8 V N 1.574 121.545 119.914 0.096 0.000 2.432 8 V HA 0.558 4.678 4.120 -0.000 0.000 0.271 8 V C -2.212 173.937 176.094 0.091 0.000 1.046 8 V CA -2.290 60.075 62.300 0.108 0.000 0.945 8 V CB 0.136 32.054 31.823 0.158 0.000 0.992 8 V HN 0.821 nan 8.190 nan 0.000 0.471 9 P HA 0.206 nan 4.420 nan 0.000 0.265 9 P C -0.667 176.662 177.300 0.048 0.000 1.193 9 P CA 0.125 63.261 63.100 0.060 0.000 0.765 9 P CB 1.257 32.998 31.700 0.068 0.000 0.823 10 V N 4.089 123.951 119.914 -0.088 0.000 2.577 10 V HA 0.344 4.464 4.120 -0.000 0.000 0.303 10 V C 0.236 176.234 176.094 -0.161 0.000 1.042 10 V CA -0.695 61.436 62.300 -0.282 0.000 0.872 10 V CB 1.823 33.116 31.823 -0.884 0.000 0.998 10 V HN 0.457 nan 8.190 nan 0.000 0.423 11 K N 3.840 124.219 120.400 -0.034 0.000 2.156 11 K HA 0.721 5.041 4.320 -0.000 0.000 0.254 11 K C -1.089 175.531 176.600 0.032 0.000 0.950 11 K CA -0.930 55.384 56.287 0.044 0.000 0.849 11 K CB 2.395 34.934 32.500 0.065 0.000 1.100 11 K HN 0.399 nan 8.250 nan 0.000 0.434 12 L N 2.681 123.950 121.223 0.078 0.000 2.331 12 L HA 0.106 4.445 4.340 -0.000 0.000 0.278 12 L C -0.183 176.696 176.870 0.015 0.000 1.106 12 L CA 0.022 54.875 54.840 0.021 0.000 0.824 12 L CB 0.577 42.613 42.059 -0.039 0.000 1.142 12 L HN 0.420 nan 8.230 nan 0.000 0.443 13 K N 6.115 126.509 120.400 -0.010 0.000 2.264 13 K HA -0.041 4.279 4.320 -0.000 0.000 0.262 13 K C -2.133 174.468 176.600 0.002 0.000 1.247 13 K CA -0.980 55.297 56.287 -0.017 0.000 1.248 13 K CB -0.746 31.728 32.500 -0.044 0.000 0.825 13 K HN 0.429 nan 8.250 nan 0.000 0.468 14 P HA -0.181 nan 4.420 nan 0.000 0.267 14 P C 0.876 178.189 177.300 0.021 0.000 1.175 14 P CA 1.188 64.304 63.100 0.026 0.000 0.763 14 P CB 0.418 32.133 31.700 0.025 0.000 0.795 15 G N 0.351 109.169 108.800 0.031 0.000 2.176 15 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.232 15 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.232 15 G C 0.152 175.072 174.900 0.033 0.000 0.986 15 G CA 0.117 45.235 45.100 0.029 0.000 0.643 15 G HN 0.448 nan 8.290 nan 0.000 0.522 16 M N -0.916 118.705 119.600 0.035 0.000 2.532 16 M HA 0.702 5.182 4.480 -0.000 0.000 0.257 16 M C -0.096 176.238 176.300 0.057 0.000 0.941 16 M CA -0.328 54.993 55.300 0.036 0.000 1.206 16 M CB 1.579 34.188 32.600 0.014 0.000 1.472 16 M HN 0.200 nan 8.290 nan 0.000 0.665 17 D N -1.345 119.085 120.400 0.050 0.000 2.692 17 D HA 0.501 5.141 4.640 -0.000 0.000 0.303 17 D C -0.917 175.390 176.300 0.012 0.000 1.278 17 D CA -0.476 53.583 54.000 0.098 0.000 0.852 17 D CB 1.294 42.184 40.800 0.150 0.000 1.375 17 D HN 0.660 nan 8.370 nan 0.000 0.453 18 G N -0.531 108.294 108.800 0.042 0.000 2.557 18 G HA2 0.547 4.507 3.960 -0.000 0.000 0.292 18 G HA3 0.547 4.507 3.960 -0.000 0.000 0.292 18 G C -2.294 172.603 174.900 -0.006 0.000 1.237 18 G CA -1.136 43.809 45.100 -0.258 0.000 0.978 18 G HN 0.481 nan 8.290 nan 0.000 0.498 19 P HA 0.298 nan 4.420 nan 0.000 0.279 19 P C -1.076 176.350 177.300 0.211 0.000 1.239 19 P CA -0.163 62.989 63.100 0.088 0.000 0.789 19 P CB 1.294 33.028 31.700 0.056 0.000 0.933 20 K N 1.542 122.042 120.400 0.167 0.000 3.350 20 K HA 0.295 4.614 4.320 -0.000 0.000 0.167 20 K C -0.993 175.666 176.600 0.098 0.000 1.058 20 K CA -0.356 56.023 56.287 0.152 0.000 0.783 20 K CB 1.095 33.688 32.500 0.155 0.000 0.872 20 K HN 0.161 nan 8.250 nan 0.000 0.561 21 V N 2.039 122.002 119.914 0.081 0.000 2.370 21 V HA 0.207 4.327 4.120 -0.000 0.000 0.279 21 V C 0.258 176.366 176.094 0.023 0.000 1.029 21 V CA -0.826 61.516 62.300 0.071 0.000 0.870 21 V CB 1.122 32.997 31.823 0.087 0.000 0.984 21 V HN 0.346 nan 8.190 nan 0.000 0.451 22 K N 3.132 123.553 120.400 0.035 0.000 2.436 22 K HA 0.123 4.443 4.320 -0.000 0.000 0.275 22 K C 0.106 176.637 176.600 -0.114 0.000 0.999 22 K CA -0.146 56.135 56.287 -0.010 0.000 0.980 22 K CB 0.473 32.994 32.500 0.036 0.000 0.919 22 K HN 0.663 nan 8.250 nan 0.000 0.484 23 Q N 3.885 123.571 119.800 -0.190 0.000 2.304 23 Q HA 0.083 4.423 4.340 -0.000 0.000 0.260 23 Q C -1.151 174.674 176.000 -0.291 0.000 0.965 23 Q CA -0.250 55.306 55.803 -0.411 0.000 0.898 23 Q CB 0.604 29.172 28.738 -0.284 0.000 1.196 23 Q HN 0.508 nan 8.270 nan 0.000 0.402 24 W N 2.414 123.703 121.300 -0.020 0.000 2.509 24 W HA 0.565 5.225 4.660 -0.000 0.000 0.351 24 W C -2.361 174.100 176.519 -0.096 0.000 1.107 24 W CA -2.643 54.668 57.345 -0.057 0.000 1.264 24 W CB -0.640 28.780 29.460 -0.068 0.000 1.312 24 W HN 0.486 nan 8.180 nan 0.000 0.608 25 P HA -0.079 nan 4.420 nan 0.000 0.265 25 P C -0.439 176.915 177.300 0.090 0.000 1.167 25 P CA 1.014 64.162 63.100 0.079 0.000 0.760 25 P CB 0.394 32.097 31.700 0.004 0.000 0.783 26 L N 0.891 122.123 121.223 0.015 0.000 2.424 26 L HA 0.433 4.773 4.340 -0.000 0.000 0.258 26 L C 0.412 177.253 176.870 -0.048 0.000 0.995 26 L CA -0.995 53.843 54.840 -0.004 0.000 0.821 26 L CB 2.030 44.099 42.059 0.017 0.000 1.383 26 L HN 0.198 nan 8.230 nan 0.000 0.410 27 T N -1.093 113.424 114.554 -0.061 0.000 2.802 27 T HA -0.030 4.320 4.350 -0.000 0.000 0.305 27 T C 0.983 175.644 174.700 -0.065 0.000 1.053 27 T CA -0.302 61.761 62.100 -0.061 0.000 1.058 27 T CB 1.119 69.960 68.868 -0.044 0.000 0.988 27 T HN 0.732 nan 8.240 nan 0.000 0.539 28 E N 0.328 120.490 120.200 -0.062 0.000 2.358 28 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 28 E C 1.932 178.465 176.600 -0.110 0.000 1.010 28 E CA 0.681 57.036 56.400 -0.075 0.000 0.856 28 E CB 0.120 29.786 29.700 -0.056 0.000 0.795 28 E HN 0.824 nan 8.360 nan 0.000 0.504 29 E N 0.320 120.454 120.200 -0.110 0.000 2.216 29 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 29 E C 1.665 178.020 176.600 -0.408 0.000 0.988 29 E CA 0.548 56.837 56.400 -0.184 0.000 0.834 29 E CB 0.018 29.697 29.700 -0.036 0.000 0.772 29 E HN 0.072 nan 8.360 nan 0.000 0.479 30 K N 0.465 120.704 120.400 -0.269 0.000 2.262 30 K HA 0.137 4.457 4.320 -0.000 0.000 0.200 30 K C 2.147 178.621 176.600 -0.211 0.000 1.049 30 K CA 0.453 56.572 56.287 -0.280 0.000 0.979 30 K CB 0.212 32.685 32.500 -0.045 0.000 0.773 30 K HN 0.186 nan 8.250 nan 0.000 0.474 31 I N 1.571 122.049 120.570 -0.153 0.000 2.193 31 I HA -0.221 3.948 4.170 -0.000 0.000 0.240 31 I C 1.839 177.870 176.117 -0.143 0.000 1.084 31 I CA 1.239 62.472 61.300 -0.112 0.000 1.365 31 I CB -0.156 37.796 38.000 -0.081 0.000 1.064 31 I HN 0.084 nan 8.210 nan 0.000 0.410 32 K N 0.984 121.280 120.400 -0.174 0.000 2.442 32 K HA -0.112 4.208 4.320 -0.000 0.000 0.199 32 K C 1.763 178.214 176.600 -0.249 0.000 1.044 32 K CA 0.953 57.134 56.287 -0.177 0.000 0.941 32 K CB -0.061 32.338 32.500 -0.169 0.000 0.759 32 K HN 0.339 nan 8.250 nan 0.000 0.472 33 A N 1.503 124.110 122.820 -0.354 0.000 1.991 33 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 33 A C 1.853 179.308 177.584 -0.216 0.000 1.487 33 A CA 0.209 51.970 52.037 -0.459 0.000 0.603 33 A CB -0.747 17.781 19.000 -0.787 0.000 1.112 33 A HN 0.033 nan 8.150 nan 0.000 0.492 34 L N 0.139 121.276 121.223 -0.143 0.000 2.095 34 L HA -0.300 4.040 4.340 -0.000 0.000 0.229 34 L C 2.649 179.485 176.870 -0.056 0.000 1.097 34 L CA 2.316 57.122 54.840 -0.058 0.000 0.813 34 L CB -1.457 40.596 42.059 -0.010 0.000 0.907 34 L HN 0.302 nan 8.230 nan 0.000 0.445 35 V N -0.223 119.656 119.914 -0.059 0.000 2.282 35 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 35 V C 2.518 178.580 176.094 -0.053 0.000 1.057 35 V CA 2.177 64.454 62.300 -0.038 0.000 1.032 35 V CB -0.561 31.238 31.823 -0.039 0.000 0.645 35 V HN 0.517 nan 8.190 nan 0.000 0.447 36 E N -0.607 119.547 120.200 -0.076 0.000 2.268 36 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 36 E C 2.012 178.579 176.600 -0.054 0.000 0.995 36 E CA 0.906 57.268 56.400 -0.063 0.000 0.836 36 E CB -0.012 29.643 29.700 -0.074 0.000 0.763 36 E HN 0.660 nan 8.360 nan 0.000 0.491 37 I N -0.439 120.096 120.570 -0.060 0.000 2.260 37 I HA -0.224 3.946 4.170 -0.000 0.000 0.237 37 I C 2.291 178.347 176.117 -0.101 0.000 1.075 37 I CA 0.233 61.501 61.300 -0.052 0.000 1.376 37 I CB -0.350 37.631 38.000 -0.031 0.000 1.107 37 I HN 0.188 nan 8.210 nan 0.000 0.420 38 C N 1.331 120.550 119.300 -0.136 0.000 2.400 38 C HA -0.163 4.297 4.460 -0.000 0.000 0.291 38 C C 3.001 177.821 174.990 -0.284 0.000 1.372 38 C CA 1.854 60.699 59.018 -0.289 0.000 1.800 38 C CB -1.560 25.963 27.740 -0.362 0.000 1.869 38 C HN 0.669 nan 8.230 nan 0.000 0.533 39 T N -2.213 112.265 114.554 -0.127 0.000 2.852 39 T HA -0.046 4.304 4.350 -0.000 0.000 0.256 39 T C 1.648 176.301 174.700 -0.078 0.000 1.038 39 T CA 0.893 62.952 62.100 -0.068 0.000 1.141 39 T CB -0.245 68.605 68.868 -0.030 0.000 0.869 39 T HN 0.359 nan 8.240 nan 0.000 0.439 40 E N 1.385 121.541 120.200 -0.073 0.000 2.077 40 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 40 E C 2.186 178.731 176.600 -0.092 0.000 0.989 40 E CA 1.006 57.370 56.400 -0.061 0.000 0.800 40 E CB -0.462 29.214 29.700 -0.039 0.000 0.746 40 E HN 0.539 nan 8.360 nan 0.000 0.452 41 M N 0.160 119.675 119.600 -0.142 0.000 2.346 41 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 41 M C 2.147 178.324 176.300 -0.205 0.000 1.064 41 M CA 1.234 56.412 55.300 -0.204 0.000 1.083 41 M CB -0.117 32.316 32.600 -0.279 0.000 1.399 41 M HN 0.089 nan 8.290 nan 0.000 0.435 42 E N 0.494 120.589 120.200 -0.176 0.000 2.140 42 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 42 E C 1.746 178.307 176.600 -0.066 0.000 0.973 42 E CA 0.527 56.858 56.400 -0.116 0.000 0.829 42 E CB 0.154 29.828 29.700 -0.043 0.000 0.781 42 E HN 0.286 nan 8.360 nan 0.000 0.466 43 K N 0.685 121.051 120.400 -0.056 0.000 2.633 43 K HA -0.106 4.214 4.320 -0.000 0.000 0.193 43 K C -0.128 176.452 176.600 -0.034 0.000 1.033 43 K CA 0.882 57.147 56.287 -0.036 0.000 0.980 43 K CB 0.124 32.606 32.500 -0.030 0.000 0.800 43 K HN 0.117 nan 8.250 nan 0.000 0.493 44 E N -0.896 119.276 120.200 -0.046 0.000 3.918 44 E HA 0.095 4.445 4.350 -0.000 0.000 0.183 44 E C 0.050 176.624 176.600 -0.042 0.000 1.021 44 E CA 0.000 56.380 56.400 -0.034 0.000 1.431 44 E CB 0.961 30.643 29.700 -0.030 0.000 1.140 44 E HN 0.378 nan 8.360 nan 0.000 0.435 45 G N 2.013 110.787 108.800 -0.044 0.000 2.360 45 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.302 45 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.302 45 G C 1.050 175.918 174.900 -0.053 0.000 0.985 45 G CA 1.620 46.695 45.100 -0.041 0.000 0.767 45 G HN 0.230 nan 8.290 nan 0.000 0.513 46 K N -0.386 119.954 120.400 -0.101 0.000 2.155 46 K HA 0.217 4.537 4.320 -0.000 0.000 0.203 46 K C 1.515 178.012 176.600 -0.172 0.000 1.052 46 K CA 1.512 57.730 56.287 -0.115 0.000 0.948 46 K CB -0.026 32.311 32.500 -0.271 0.000 0.728 46 K HN 0.821 nan 8.250 nan 0.000 0.448 47 I N -3.735 116.684 120.570 -0.253 0.000 3.108 47 I HA 0.528 4.698 4.170 -0.000 0.000 0.312 47 I C -0.963 175.086 176.117 -0.113 0.000 1.095 47 I CA -1.140 59.983 61.300 -0.294 0.000 1.000 47 I CB 2.746 40.450 38.000 -0.494 0.000 1.229 47 I HN -0.318 nan 8.210 nan 0.000 0.454 48 S N 1.246 116.930 115.700 -0.027 0.000 2.546 48 S HA 0.409 4.879 4.470 -0.000 0.000 0.272 48 S C -0.848 173.775 174.600 0.038 0.000 1.140 48 S CA -1.105 57.107 58.200 0.020 0.000 0.920 48 S CB 1.732 64.915 63.200 -0.028 0.000 1.083 48 S HN 0.519 nan 8.310 nan 0.000 0.476 49 K N 1.940 122.313 120.400 -0.044 0.000 2.397 49 K HA 0.369 4.689 4.320 -0.000 0.000 0.265 49 K C 0.130 176.580 176.600 -0.250 0.000 0.982 49 K CA 0.141 56.230 56.287 -0.329 0.000 0.931 49 K CB 0.154 32.430 32.500 -0.374 0.000 0.943 49 K HN 0.720 nan 8.250 nan 0.000 0.501 50 I N -3.475 116.907 120.570 -0.314 0.000 3.279 50 I HA 0.639 4.808 4.170 -0.000 0.000 0.315 50 I C -0.220 175.767 176.117 -0.217 0.000 1.187 50 I CA -1.134 60.037 61.300 -0.214 0.000 0.953 50 I CB 2.113 40.008 38.000 -0.175 0.000 1.279 50 I HN 0.572 nan 8.210 nan 0.000 0.465 51 G N 0.325 109.025 108.800 -0.166 0.000 2.820 51 G HA2 0.627 4.587 3.960 -0.000 0.000 0.291 51 G HA3 0.627 4.587 3.960 -0.000 0.000 0.291 51 G C -2.233 172.581 174.900 -0.143 0.000 1.323 51 G CA -1.414 43.593 45.100 -0.154 0.000 1.055 51 G HN 0.557 nan 8.290 nan 0.000 0.520 52 P HA -0.037 nan 4.420 nan 0.000 0.239 52 P C 0.972 178.202 177.300 -0.116 0.000 1.184 52 P CA 0.737 63.767 63.100 -0.118 0.000 0.760 52 P CB 0.351 31.989 31.700 -0.103 0.000 0.884 53 E N -0.488 119.642 120.200 -0.117 0.000 2.481 53 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 53 E C 0.289 176.799 176.600 -0.149 0.000 1.047 53 E CA 0.192 56.521 56.400 -0.117 0.000 0.867 53 E CB -0.741 28.898 29.700 -0.100 0.000 0.858 53 E HN 0.102 nan 8.360 nan 0.000 0.513 54 N N 2.176 120.780 118.700 -0.159 0.000 2.462 54 N HA 0.148 4.888 4.740 -0.000 0.000 0.242 54 N C -2.123 173.237 175.510 -0.251 0.000 1.010 54 N CA -2.205 50.725 53.050 -0.199 0.000 0.939 54 N CB 1.585 39.993 38.487 -0.132 0.000 1.127 54 N HN -0.194 nan 8.380 nan 0.000 0.509 55 P HA 0.072 nan 4.420 nan 0.000 0.247 55 P C -0.871 176.202 177.300 -0.378 0.000 1.225 55 P CA 0.652 63.489 63.100 -0.438 0.000 0.768 55 P CB -0.218 31.162 31.700 -0.533 0.000 1.020 56 Y N -0.095 120.197 120.300 -0.015 0.000 2.420 56 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 56 Y C 0.639 176.541 175.900 0.002 0.000 1.094 56 Y CA -1.409 56.703 58.100 0.020 0.000 1.126 56 Y CB 1.094 39.587 38.460 0.056 0.000 1.217 56 Y HN -0.241 nan 8.280 nan 0.000 0.462 57 N N -0.546 118.276 118.700 0.203 0.000 2.504 57 N HA 0.595 5.335 4.740 -0.000 0.000 0.268 57 N C -1.932 173.611 175.510 0.055 0.000 1.184 57 N CA -0.521 52.585 53.050 0.094 0.000 0.875 57 N CB 1.916 40.421 38.487 0.031 0.000 1.630 57 N HN 0.545 nan 8.380 nan 0.000 0.486 58 T N 2.126 116.678 114.554 -0.003 0.000 2.991 58 T HA 0.500 4.850 4.350 -0.000 0.000 0.303 58 T C -2.851 171.745 174.700 -0.174 0.000 1.015 58 T CA -0.844 61.190 62.100 -0.110 0.000 1.007 58 T CB 2.078 70.790 68.868 -0.259 0.000 1.034 58 T HN 0.247 nan 8.240 nan 0.000 0.446 59 P HA 0.324 nan 4.420 nan 0.000 0.269 59 P C -0.501 176.592 177.300 -0.344 0.000 1.215 59 P CA -0.387 62.474 63.100 -0.398 0.000 0.780 59 P CB 0.597 32.002 31.700 -0.491 0.000 0.898 60 V N -0.093 119.603 119.914 -0.365 0.000 3.165 60 V HA 0.938 5.058 4.120 -0.000 0.000 0.309 60 V C -1.088 175.058 176.094 0.087 0.000 1.267 60 V CA -0.870 61.303 62.300 -0.213 0.000 1.067 60 V CB 1.750 33.426 31.823 -0.244 0.000 1.082 60 V HN 0.665 nan 8.190 nan 0.000 0.451 61 F N -2.299 117.568 119.950 -0.138 0.000 3.198 61 F HA 0.889 5.415 4.527 -0.000 0.000 0.333 61 F C -0.816 175.005 175.800 0.035 0.000 1.072 61 F CA -0.729 57.252 58.000 -0.032 0.000 0.846 61 F CB 0.025 39.063 39.000 0.063 0.000 1.557 61 F HN 1.256 nan 8.300 nan 0.000 0.446 62 A N 0.924 124.012 122.820 0.447 0.000 2.350 62 A HA 0.936 5.256 4.320 -0.000 0.000 0.318 62 A C -1.463 176.455 177.584 0.555 0.000 1.132 62 A CA -0.850 51.458 52.037 0.452 0.000 0.811 62 A CB 1.426 20.782 19.000 0.592 0.000 1.313 62 A HN 0.812 nan 8.150 nan 0.000 0.454 63 I N 1.176 121.948 120.570 0.336 0.000 2.560 63 I HA 0.240 4.410 4.170 -0.000 0.000 0.283 63 I C -0.330 175.575 176.117 -0.353 0.000 1.115 63 I CA -0.546 60.783 61.300 0.049 0.000 1.066 63 I CB 1.170 39.226 38.000 0.094 0.000 1.221 63 I HN 0.821 nan 8.210 nan 0.000 0.450 64 K N 5.856 125.675 120.400 -0.968 0.000 2.416 64 K HA 0.148 4.468 4.320 -0.000 0.000 0.283 64 K C 0.029 176.341 176.600 -0.479 0.000 1.037 64 K CA 0.090 55.676 56.287 -1.168 0.000 0.995 64 K CB 0.643 32.398 32.500 -1.242 0.000 0.938 64 K HN 0.386 nan 8.250 nan 0.000 0.475 65 K N 3.699 123.905 120.400 -0.324 0.000 2.326 65 K HA 0.017 4.336 4.320 -0.000 0.000 0.275 65 K C -0.250 176.269 176.600 -0.136 0.000 1.018 65 K CA -0.266 55.921 56.287 -0.167 0.000 0.962 65 K CB 0.686 33.123 32.500 -0.105 0.000 0.953 65 K HN 0.491 nan 8.250 nan 0.000 0.475 66 K N 2.599 122.941 120.400 -0.096 0.000 2.504 66 K HA -0.211 4.109 4.320 -0.000 0.000 0.278 66 K C -0.256 176.310 176.600 -0.056 0.000 1.025 66 K CA 0.723 56.965 56.287 -0.074 0.000 1.093 66 K CB 0.068 32.521 32.500 -0.079 0.000 0.873 66 K HN 0.593 nan 8.250 nan 0.000 0.483 67 D N 1.098 121.474 120.400 -0.040 0.000 3.059 67 D HA -0.190 4.450 4.640 -0.000 0.000 0.222 67 D C -0.935 175.359 176.300 -0.010 0.000 1.185 67 D CA 1.332 55.324 54.000 -0.012 0.000 0.904 67 D CB -0.532 40.274 40.800 0.010 0.000 1.122 67 D HN 0.405 nan 8.370 nan 0.000 0.410 68 S N -0.755 114.920 115.700 -0.041 0.000 2.474 68 S HA 0.338 4.808 4.470 -0.000 0.000 0.321 68 S C 1.466 176.022 174.600 -0.074 0.000 1.080 68 S CA 0.219 58.396 58.200 -0.038 0.000 1.106 68 S CB 1.438 64.613 63.200 -0.042 0.000 0.984 68 S HN 0.210 nan 8.310 nan 0.000 0.464 69 T N 2.449 116.985 114.554 -0.031 0.000 2.881 69 T HA 0.036 4.386 4.350 -0.000 0.000 0.270 69 T C 0.640 175.333 174.700 -0.011 0.000 1.068 69 T CA 0.882 62.971 62.100 -0.017 0.000 1.131 69 T CB -0.294 68.593 68.868 0.032 0.000 0.871 69 T HN 0.532 nan 8.240 nan 0.000 0.479 70 K N 0.601 121.004 120.400 0.005 0.000 2.202 70 K HA 0.276 4.596 4.320 -0.000 0.000 0.264 70 K C -0.440 176.152 176.600 -0.013 0.000 1.010 70 K CA -0.642 55.690 56.287 0.075 0.000 0.940 70 K CB 0.536 33.083 32.500 0.078 0.000 0.983 70 K HN 0.269 nan 8.250 nan 0.000 0.475 71 W N 0.702 122.013 121.300 0.018 0.000 1.971 71 W HA 0.319 4.979 4.660 0.000 0.000 0.476 71 W C 0.112 176.638 176.519 0.011 0.000 1.983 71 W CA 0.060 57.416 57.345 0.017 0.000 2.229 71 W CB 0.370 29.838 29.460 0.015 0.000 1.624 71 W HN 0.443 nan 8.180 nan 0.000 0.751 72 R N 1.070 121.736 120.500 0.276 0.000 2.937 72 R HA 0.144 4.484 4.340 -0.000 0.000 0.273 72 R C -0.717 175.652 176.300 0.115 0.000 1.176 72 R CA -0.623 55.556 56.100 0.132 0.000 1.132 72 R CB 0.636 30.957 30.300 0.036 0.000 1.270 72 R HN 0.397 nan 8.270 nan 0.000 0.425 73 K N 2.422 122.866 120.400 0.072 0.000 2.185 73 K HA 0.405 4.725 4.320 -0.000 0.000 0.245 73 K C -1.069 175.454 176.600 -0.129 0.000 1.035 73 K CA -0.032 56.247 56.287 -0.014 0.000 0.847 73 K CB 0.348 32.832 32.500 -0.027 0.000 1.056 73 K HN 0.470 nan 8.250 nan 0.000 0.518 74 L N 0.401 121.455 121.223 -0.282 0.000 2.781 74 L HA 0.276 4.616 4.340 -0.000 0.000 0.256 74 L C -2.070 174.458 176.870 -0.570 0.000 0.930 74 L CA -0.455 54.122 54.840 -0.437 0.000 0.967 74 L CB 1.501 43.166 42.059 -0.658 0.000 1.551 74 L HN 0.333 nan 8.230 nan 0.000 0.445 75 V N 2.394 122.057 119.914 -0.420 0.000 2.709 75 V HA 0.409 4.529 4.120 -0.000 0.000 0.308 75 V C -0.736 175.159 176.094 -0.333 0.000 1.062 75 V CA -0.598 61.411 62.300 -0.485 0.000 0.901 75 V CB 1.922 33.267 31.823 -0.797 0.000 1.003 75 V HN 0.796 nan 8.190 nan 0.000 0.425 76 D N 2.385 122.653 120.400 -0.219 0.000 2.608 76 D HA 0.236 4.876 4.640 -0.000 0.000 0.224 76 D C 0.630 176.895 176.300 -0.058 0.000 1.123 76 D CA 0.058 54.051 54.000 -0.011 0.000 1.030 76 D CB -0.140 40.788 40.800 0.214 0.000 1.093 76 D HN 0.408 nan 8.370 nan 0.000 0.497 77 F N 0.919 120.894 119.950 0.041 0.000 2.699 77 F HA 0.074 4.601 4.527 -0.000 0.000 0.298 77 F C 2.153 178.015 175.800 0.103 0.000 1.154 77 F CA 0.230 58.275 58.000 0.074 0.000 1.457 77 F CB -0.082 38.986 39.000 0.113 0.000 1.106 77 F HN 0.237 nan 8.300 nan 0.000 0.585 78 R N 0.104 120.736 120.500 0.220 0.000 2.178 78 R HA -0.293 4.047 4.340 -0.000 0.000 0.257 78 R C 1.961 178.362 176.300 0.168 0.000 1.163 78 R CA 1.939 58.130 56.100 0.151 0.000 0.981 78 R CB -0.469 29.849 30.300 0.031 0.000 0.878 78 R HN 0.218 nan 8.270 nan 0.000 0.454 79 E N 0.455 120.751 120.200 0.160 0.000 2.208 79 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 79 E C 1.550 178.253 176.600 0.172 0.000 0.988 79 E CA 0.619 57.105 56.400 0.142 0.000 0.828 79 E CB 0.023 29.790 29.700 0.112 0.000 0.763 79 E HN 0.132 nan 8.360 nan 0.000 0.478 80 L N 0.518 121.896 121.223 0.257 0.000 2.071 80 L HA 0.013 4.353 4.340 -0.000 0.000 0.201 80 L C 1.586 178.687 176.870 0.385 0.000 1.076 80 L CA 1.412 56.417 54.840 0.276 0.000 0.755 80 L CB -0.761 41.522 42.059 0.373 0.000 0.915 80 L HN 0.093 nan 8.230 nan 0.000 0.445 81 N N 0.374 119.373 118.700 0.499 0.000 2.133 81 N HA -0.263 4.477 4.740 -0.000 0.000 0.193 81 N C 1.598 177.471 175.510 0.604 0.000 1.012 81 N CA 1.684 55.109 53.050 0.626 0.000 0.871 81 N CB -0.332 38.375 38.487 0.366 0.000 1.011 81 N HN 0.462 nan 8.380 nan 0.000 0.435 82 K N 0.568 121.186 120.400 0.362 0.000 2.365 82 K HA 0.040 4.360 4.320 -0.000 0.000 0.199 82 K C 1.462 178.151 176.600 0.148 0.000 1.045 82 K CA 0.585 57.020 56.287 0.247 0.000 0.962 82 K CB 0.118 32.718 32.500 0.167 0.000 0.759 82 K HN 0.229 nan 8.250 nan 0.000 0.469 83 R N 0.368 120.959 120.500 0.152 0.000 2.362 83 R HA 0.035 4.375 4.340 -0.000 0.000 0.227 83 R C 0.562 176.889 176.300 0.045 0.000 0.905 83 R CA 0.661 56.798 56.100 0.062 0.000 1.067 83 R CB 0.659 30.969 30.300 0.018 0.000 1.078 83 R HN 0.110 nan 8.270 nan 0.000 0.516 84 T N -2.768 111.848 114.554 0.103 0.000 3.672 84 T HA 0.030 4.380 4.350 -0.000 0.000 0.296 84 T C 1.118 175.540 174.700 -0.463 0.000 0.979 84 T CA -0.599 61.520 62.100 0.032 0.000 1.013 84 T CB 0.489 69.570 68.868 0.354 0.000 1.184 84 T HN 0.179 nan 8.240 nan 0.000 0.477 85 Q N 1.476 120.852 119.800 -0.707 0.000 2.020 85 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 85 Q C 1.156 176.398 176.000 -1.264 0.000 0.974 85 Q CA 1.818 56.545 55.803 -1.792 0.000 0.829 85 Q CB -0.649 27.543 28.738 -0.910 0.000 0.894 85 Q HN 0.308 nan 8.270 nan 0.000 0.433 86 D N 0.300 120.351 120.400 -0.582 0.000 2.239 86 D HA -0.176 4.464 4.640 -0.000 0.000 0.202 86 D C 1.335 177.439 176.300 -0.326 0.000 0.993 86 D CA 1.275 55.065 54.000 -0.350 0.000 0.874 86 D CB -0.246 40.440 40.800 -0.191 0.000 0.922 86 D HN 0.363 nan 8.370 nan 0.000 0.464 87 F N 0.589 120.255 119.950 -0.473 0.000 2.051 87 F HA -0.135 4.392 4.527 -0.000 0.000 0.296 87 F C 1.612 177.259 175.800 -0.255 0.000 1.122 87 F CA 1.385 59.194 58.000 -0.317 0.000 1.201 87 F CB -0.387 38.453 39.000 -0.267 0.000 0.978 87 F HN 0.150 nan 8.300 nan 0.000 0.472 88 W N 0.308 121.561 121.300 -0.079 0.000 3.400 88 W HA 0.296 4.956 4.660 -0.000 0.000 0.347 88 W C 0.852 177.291 176.519 -0.134 0.000 1.218 88 W CA 0.284 57.512 57.345 -0.195 0.000 1.837 88 W CB -0.696 28.723 29.460 -0.069 0.000 1.067 88 W HN 0.239 nan 8.180 nan 0.000 0.701 89 E N 1.190 121.304 120.200 -0.143 0.000 2.625 89 E HA -0.007 4.343 4.350 -0.000 0.000 0.185 89 E C 2.112 178.662 176.600 -0.084 0.000 1.085 89 E CA 0.890 57.268 56.400 -0.036 0.000 1.137 89 E CB -0.411 29.171 29.700 -0.197 0.000 1.687 89 E HN -0.148 nan 8.360 nan 0.000 0.512 90 V N 1.777 121.605 119.914 -0.144 0.000 2.220 90 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 90 V C 2.367 178.382 176.094 -0.131 0.000 1.049 90 V CA 2.504 64.733 62.300 -0.117 0.000 1.003 90 V CB -0.846 30.907 31.823 -0.117 0.000 0.634 90 V HN 0.350 nan 8.190 nan 0.000 0.444 91 Q N 0.101 119.788 119.800 -0.188 0.000 2.020 91 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 91 Q C 1.005 176.871 176.000 -0.224 0.000 0.982 91 Q CA 1.254 56.928 55.803 -0.215 0.000 0.838 91 Q CB -0.160 28.398 28.738 -0.301 0.000 0.899 91 Q HN 0.539 nan 8.270 nan 0.000 0.423 92 L N 1.086 122.146 121.223 -0.272 0.000 2.935 92 L HA 0.417 4.757 4.340 -0.000 0.000 0.243 92 L C 0.706 177.527 176.870 -0.081 0.000 1.313 92 L CA -0.899 53.818 54.840 -0.205 0.000 0.969 92 L CB 0.154 42.023 42.059 -0.316 0.000 1.320 92 L HN 0.073 nan 8.230 nan 0.000 0.511 93 G N 1.074 109.840 108.800 -0.057 0.000 2.443 93 G HA2 0.377 4.337 3.960 -0.000 0.000 0.286 93 G HA3 0.377 4.337 3.960 -0.000 0.000 0.286 93 G C -0.327 174.581 174.900 0.014 0.000 1.393 93 G CA 0.104 45.200 45.100 -0.005 0.000 1.080 93 G HN 0.245 nan 8.290 nan 0.000 0.566 94 I N -0.323 120.256 120.570 0.015 0.000 2.710 94 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 94 I C -1.936 174.144 176.117 -0.061 0.000 1.318 94 I CA -0.979 60.339 61.300 0.030 0.000 1.045 94 I CB 1.789 39.864 38.000 0.124 0.000 1.307 94 I HN 0.377 nan 8.210 nan 0.000 0.424 95 P HA 0.317 nan 4.420 nan 0.000 0.298 95 P C -0.808 176.276 177.300 -0.361 0.000 1.404 95 P CA 0.191 63.156 63.100 -0.224 0.000 0.795 95 P CB 0.287 31.940 31.700 -0.078 0.000 1.842 96 H N -1.560 117.523 119.070 0.021 0.000 3.021 96 H HA 0.225 4.781 4.556 -0.000 0.000 0.293 96 H C -2.151 173.134 175.328 -0.072 0.000 1.244 96 H CA -1.246 54.796 56.048 -0.010 0.000 1.596 96 H CB 0.359 30.134 29.762 0.022 0.000 1.720 96 H HN 0.195 nan 8.280 nan 0.000 0.537 97 P HA 0.144 nan 4.420 nan 0.000 0.254 97 P C 1.362 178.569 177.300 -0.155 0.000 1.631 97 P CA 0.070 63.091 63.100 -0.132 0.000 0.861 97 P CB -0.114 31.402 31.700 -0.306 0.000 1.663 98 A N 0.849 123.604 122.820 -0.108 0.000 2.038 98 A HA -0.261 4.059 4.320 -0.000 0.000 0.224 98 A C 2.409 179.909 177.584 -0.139 0.000 1.190 98 A CA 2.256 54.207 52.037 -0.143 0.000 0.668 98 A CB -1.667 17.272 19.000 -0.102 0.000 0.820 98 A HN 0.381 nan 8.150 nan 0.000 0.474 99 G N 0.235 108.976 108.800 -0.098 0.000 2.475 99 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.220 99 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.220 99 G C 1.480 176.321 174.900 -0.098 0.000 1.125 99 G CA 1.246 46.297 45.100 -0.081 0.000 0.755 99 G HN 1.031 nan 8.290 nan 0.000 0.565 100 L N -1.541 119.606 121.223 -0.127 0.000 2.240 100 L HA 0.279 4.619 4.340 -0.000 0.000 0.211 100 L C 2.463 179.228 176.870 -0.174 0.000 1.106 100 L CA 1.228 55.987 54.840 -0.136 0.000 0.793 100 L CB -0.399 41.571 42.059 -0.149 0.000 0.927 100 L HN 0.054 nan 8.230 nan 0.000 0.446 101 K N 1.543 121.817 120.400 -0.209 0.000 2.001 101 K HA -0.163 4.157 4.320 -0.000 0.000 0.214 101 K C 2.061 178.563 176.600 -0.164 0.000 1.050 101 K CA 2.494 58.644 56.287 -0.229 0.000 0.934 101 K CB -0.182 32.155 32.500 -0.271 0.000 0.718 101 K HN 0.408 nan 8.250 nan 0.000 0.443 102 K N 0.818 121.137 120.400 -0.134 0.000 2.296 102 K HA -0.007 4.312 4.320 -0.000 0.000 0.200 102 K C 0.417 176.966 176.600 -0.084 0.000 1.048 102 K CA 0.259 56.487 56.287 -0.098 0.000 0.966 102 K CB 0.080 32.529 32.500 -0.084 0.000 0.754 102 K HN -0.134 nan 8.250 nan 0.000 0.466 103 K N 2.715 123.059 120.400 -0.094 0.000 2.466 103 K HA -0.062 4.258 4.320 -0.000 0.000 0.278 103 K C 0.542 177.084 176.600 -0.095 0.000 1.048 103 K CA 0.510 56.742 56.287 -0.092 0.000 1.088 103 K CB 0.226 32.669 32.500 -0.095 0.000 0.884 103 K HN -0.001 nan 8.250 nan 0.000 0.478 104 K N 1.009 121.358 120.400 -0.086 0.000 1.977 104 K HA -0.160 4.160 4.320 -0.000 0.000 0.231 104 K C -0.092 176.479 176.600 -0.049 0.000 1.040 104 K CA 1.932 58.185 56.287 -0.056 0.000 1.029 104 K CB -0.166 32.292 32.500 -0.070 0.000 0.737 104 K HN 0.548 nan 8.250 nan 0.000 0.446 105 S N 0.482 116.048 115.700 -0.224 0.000 2.456 105 S HA 0.361 4.831 4.470 -0.000 0.000 0.316 105 S C -0.474 173.840 174.600 -0.476 0.000 1.089 105 S CA -0.902 57.061 58.200 -0.395 0.000 1.101 105 S CB 2.079 65.067 63.200 -0.352 0.000 0.995 105 S HN 0.038 nan 8.310 nan 0.000 0.468 106 V N 2.625 122.391 119.914 -0.246 0.000 3.096 106 V HA 0.718 4.838 4.120 -0.000 0.000 0.319 106 V C 0.146 176.332 176.094 0.153 0.000 1.082 106 V CA -0.467 61.822 62.300 -0.019 0.000 1.022 106 V CB 2.145 33.904 31.823 -0.106 0.000 1.103 106 V HN 0.901 nan 8.190 nan 0.000 0.455 107 T N 0.892 115.572 114.554 0.210 0.000 3.032 107 T HA 0.427 4.777 4.350 -0.000 0.000 0.312 107 T C -0.943 173.914 174.700 0.262 0.000 1.078 107 T CA -0.364 61.852 62.100 0.194 0.000 1.028 107 T CB 1.631 70.560 68.868 0.102 0.000 1.091 107 T HN 0.363 nan 8.240 nan 0.000 0.457 108 V N 4.021 124.100 119.914 0.275 0.000 2.465 108 V HA 0.602 4.722 4.120 -0.000 0.000 0.279 108 V C -0.574 175.607 176.094 0.144 0.000 1.045 108 V CA -0.715 61.773 62.300 0.314 0.000 0.938 108 V CB 1.204 33.245 31.823 0.363 0.000 0.986 108 V HN 0.628 nan 8.190 nan 0.000 0.467 109 L N 4.571 125.828 121.223 0.056 0.000 2.404 109 L HA 0.482 4.822 4.340 -0.000 0.000 0.272 109 L C -0.412 176.435 176.870 -0.038 0.000 0.980 109 L CA -0.100 54.748 54.840 0.013 0.000 0.836 109 L CB 1.639 43.698 42.059 -0.000 0.000 1.238 109 L HN 0.788 nan 8.230 nan 0.000 0.408 110 D N 3.684 124.064 120.400 -0.034 0.000 2.308 110 D HA 0.279 4.919 4.640 -0.000 0.000 0.251 110 D C 0.296 176.554 176.300 -0.070 0.000 1.127 110 D CA 0.016 53.974 54.000 -0.070 0.000 0.876 110 D CB 1.623 42.380 40.800 -0.071 0.000 1.176 110 D HN 0.428 nan 8.370 nan 0.000 0.446 111 V N 1.134 120.996 119.914 -0.085 0.000 3.415 111 V HA 0.340 4.460 4.120 -0.000 0.000 0.315 111 V C 1.567 177.612 176.094 -0.082 0.000 1.516 111 V CA 0.276 62.544 62.300 -0.055 0.000 1.122 111 V CB 0.302 32.130 31.823 0.007 0.000 0.988 111 V HN 0.536 nan 8.190 nan 0.000 0.474 112 G N 1.131 109.781 108.800 -0.250 0.000 2.499 112 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.221 112 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.221 112 G C 0.980 175.577 174.900 -0.506 0.000 1.109 112 G CA 1.354 46.093 45.100 -0.602 0.000 0.749 112 G HN 0.650 nan 8.290 nan 0.000 0.568 113 D N 0.683 120.863 120.400 -0.366 0.000 2.239 113 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 113 D C 2.527 178.646 176.300 -0.301 0.000 0.993 113 D CA 1.479 55.266 54.000 -0.355 0.000 0.874 113 D CB -0.209 40.505 40.800 -0.143 0.000 0.922 113 D HN 0.292 nan 8.370 nan 0.000 0.464 114 A N -0.548 122.162 122.820 -0.183 0.000 1.855 114 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 114 A C 1.987 179.392 177.584 -0.299 0.000 1.191 114 A CA 1.449 53.368 52.037 -0.197 0.000 0.613 114 A CB -1.421 17.449 19.000 -0.217 0.000 0.829 114 A HN 0.486 nan 8.150 nan 0.000 0.442 115 Y N -1.174 118.738 120.300 -0.646 0.000 2.240 115 Y HA -0.365 4.185 4.550 -0.000 0.000 0.278 115 Y C 2.041 177.809 175.900 -0.220 0.000 1.247 115 Y CA 1.394 59.167 58.100 -0.545 0.000 1.183 115 Y CB -0.642 37.527 38.460 -0.485 0.000 0.956 115 Y HN 0.374 nan 8.280 nan 0.000 0.533 116 F N -1.121 118.839 119.950 0.016 0.000 2.451 116 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 116 F C 1.820 177.622 175.800 0.003 0.000 1.101 116 F CA 0.595 58.612 58.000 0.028 0.000 1.436 116 F CB -0.742 38.284 39.000 0.045 0.000 1.074 116 F HN -0.236 nan 8.300 nan 0.000 0.553 117 S N 0.166 115.930 115.700 0.107 0.000 2.699 117 S HA 0.343 4.813 4.470 -0.000 0.000 0.251 117 S C -0.116 174.500 174.600 0.027 0.000 1.179 117 S CA 0.052 58.287 58.200 0.057 0.000 1.200 117 S CB -0.385 62.827 63.200 0.021 0.000 0.848 117 S HN -0.095 nan 8.310 nan 0.000 0.472 118 V N 3.602 123.549 119.914 0.055 0.000 2.674 118 V HA 0.272 4.392 4.120 -0.000 0.000 0.279 118 V C -2.470 173.683 176.094 0.099 0.000 1.051 118 V CA -1.957 60.377 62.300 0.056 0.000 0.912 118 V CB 1.982 33.810 31.823 0.008 0.000 1.044 118 V HN 0.175 nan 8.190 nan 0.000 0.464 119 P HA 0.065 nan 4.420 nan 0.000 0.266 119 P C -0.567 176.807 177.300 0.124 0.000 1.186 119 P CA 0.061 63.224 63.100 0.106 0.000 0.767 119 P CB 1.576 33.327 31.700 0.084 0.000 0.820 120 L N 2.080 123.387 121.223 0.140 0.000 2.317 120 L HA 0.341 4.681 4.340 -0.000 0.000 0.281 120 L C 0.241 177.199 176.870 0.145 0.000 1.024 120 L CA -0.775 54.160 54.840 0.160 0.000 0.810 120 L CB 1.050 43.220 42.059 0.184 0.000 1.240 120 L HN 0.236 nan 8.230 nan 0.000 0.427 121 D N 3.070 123.554 120.400 0.139 0.000 2.854 121 D HA -0.166 4.474 4.640 -0.000 0.000 0.243 121 D C 1.210 177.606 176.300 0.159 0.000 1.243 121 D CA 0.955 55.031 54.000 0.127 0.000 0.883 121 D CB 0.663 41.514 40.800 0.084 0.000 1.145 121 D HN 0.693 nan 8.370 nan 0.000 0.555 122 E N 2.886 123.151 120.200 0.108 0.000 2.065 122 E HA -0.309 4.041 4.350 -0.000 0.000 0.201 122 E C 1.119 177.769 176.600 0.084 0.000 1.016 122 E CA 1.280 57.730 56.400 0.083 0.000 0.818 122 E CB 0.048 29.779 29.700 0.053 0.000 0.749 122 E HN 0.603 nan 8.360 nan 0.000 0.453 123 D N -1.086 119.370 120.400 0.095 0.000 2.393 123 D HA -0.160 4.480 4.640 -0.000 0.000 0.220 123 D C 1.180 177.570 176.300 0.149 0.000 0.974 123 D CA 0.609 54.664 54.000 0.091 0.000 0.931 123 D CB 0.017 40.876 40.800 0.099 0.000 0.889 123 D HN 0.201 nan 8.370 nan 0.000 0.512 124 F N 0.689 120.634 119.950 -0.008 0.000 2.480 124 F HA 0.164 4.691 4.527 -0.000 0.000 0.280 124 F C 2.134 177.916 175.800 -0.030 0.000 1.002 124 F CA 0.157 58.176 58.000 0.033 0.000 1.325 124 F CB -0.149 38.861 39.000 0.017 0.000 1.134 124 F HN -0.304 nan 8.300 nan 0.000 0.646 125 R N 1.265 121.753 120.500 -0.019 0.000 2.292 125 R HA -0.323 4.017 4.340 -0.000 0.000 0.268 125 R C 2.036 178.225 176.300 -0.185 0.000 1.150 125 R CA 2.463 58.506 56.100 -0.094 0.000 0.993 125 R CB -1.011 29.299 30.300 0.015 0.000 0.901 125 R HN 0.456 nan 8.270 nan 0.000 0.470 126 K N -0.439 119.808 120.400 -0.256 0.000 2.442 126 K HA -0.191 4.128 4.320 -0.000 0.000 0.199 126 K C 0.905 177.362 176.600 -0.239 0.000 1.044 126 K CA 1.642 57.785 56.287 -0.241 0.000 0.941 126 K CB -0.125 32.195 32.500 -0.299 0.000 0.759 126 K HN 0.280 nan 8.250 nan 0.000 0.472 127 Y N 1.868 121.928 120.300 -0.401 0.000 2.503 127 Y HA 0.014 4.564 4.550 -0.000 0.000 0.278 127 Y C 2.059 177.786 175.900 -0.288 0.000 1.111 127 Y CA 0.943 58.715 58.100 -0.546 0.000 1.270 127 Y CB -0.016 37.855 38.460 -0.981 0.000 1.063 127 Y HN 0.238 nan 8.280 nan 0.000 0.548 128 T N -1.458 113.063 114.554 -0.054 0.000 3.361 128 T HA 0.347 4.697 4.350 -0.000 0.000 0.251 128 T C 0.774 175.705 174.700 0.386 0.000 1.131 128 T CA 0.104 62.357 62.100 0.254 0.000 1.001 128 T CB -0.847 68.230 68.868 0.349 0.000 1.003 128 T HN 0.200 nan 8.240 nan 0.000 0.558 129 A N 2.003 124.959 122.820 0.226 0.000 2.454 129 A HA 0.563 4.883 4.320 -0.000 0.000 0.260 129 A C -0.132 177.590 177.584 0.230 0.000 1.106 129 A CA -0.722 51.423 52.037 0.180 0.000 0.780 129 A CB -0.544 18.508 19.000 0.087 0.000 1.044 129 A HN 0.708 nan 8.150 nan 0.000 0.498 130 F N -0.224 119.720 119.950 -0.010 0.000 2.569 130 F HA 0.673 5.200 4.527 -0.000 0.000 0.312 130 F C -0.343 175.436 175.800 -0.034 0.000 1.109 130 F CA -0.968 56.995 58.000 -0.062 0.000 0.919 130 F CB 1.265 40.208 39.000 -0.095 0.000 1.211 130 F HN 0.188 nan 8.300 nan 0.000 0.446 131 T N 5.366 119.898 114.554 -0.037 0.000 2.832 131 T HA 0.459 4.809 4.350 -0.000 0.000 0.313 131 T C 0.420 175.090 174.700 -0.049 0.000 1.035 131 T CA -0.319 61.708 62.100 -0.120 0.000 0.950 131 T CB -0.076 68.724 68.868 -0.113 0.000 0.984 131 T HN 0.513 nan 8.240 nan 0.000 0.486 132 I N 6.564 127.127 120.570 -0.012 0.000 2.754 132 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 132 I C -1.578 174.514 176.117 -0.041 0.000 1.166 132 I CA -1.494 59.821 61.300 0.025 0.000 1.417 132 I CB 0.778 38.826 38.000 0.080 0.000 1.382 132 I HN 0.354 nan 8.210 nan 0.000 0.588 133 P HA 0.379 nan 4.420 nan 0.000 0.319 133 P C -1.291 175.980 177.300 -0.050 0.000 1.291 133 P CA -0.600 62.467 63.100 -0.055 0.000 0.817 133 P CB 2.042 33.708 31.700 -0.057 0.000 1.349 134 S N -0.583 115.088 115.700 -0.049 0.000 2.547 134 S HA 0.514 4.984 4.470 -0.000 0.000 0.281 134 S C -0.076 174.498 174.600 -0.043 0.000 1.118 134 S CA -0.523 57.649 58.200 -0.047 0.000 0.947 134 S CB 0.163 63.333 63.200 -0.049 0.000 1.053 134 S HN 0.372 nan 8.310 nan 0.000 0.482 135 I N 2.310 122.854 120.570 -0.043 0.000 2.741 135 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 135 I C 0.982 177.078 176.117 -0.035 0.000 1.192 135 I CA 0.185 61.461 61.300 -0.040 0.000 1.426 135 I CB -0.464 37.512 38.000 -0.040 0.000 1.367 135 I HN 0.773 nan 8.210 nan 0.000 0.563 136 N N 4.262 122.942 118.700 -0.033 0.000 2.815 136 N HA -0.336 4.404 4.740 -0.000 0.000 0.247 136 N C -0.309 175.183 175.510 -0.029 0.000 1.030 136 N CA 1.445 54.477 53.050 -0.029 0.000 0.881 136 N CB -1.377 37.094 38.487 -0.027 0.000 1.134 136 N HN 0.957 nan 8.380 nan 0.000 0.582 137 N N -0.613 118.067 118.700 -0.033 0.000 2.699 137 N HA -0.226 4.513 4.740 -0.000 0.000 0.257 137 N C 0.525 176.015 175.510 -0.035 0.000 1.077 137 N CA 1.177 54.206 53.050 -0.034 0.000 0.702 137 N CB -0.931 37.538 38.487 -0.031 0.000 0.886 137 N HN 0.797 nan 8.380 nan 0.000 0.549 138 E N 0.372 120.550 120.200 -0.037 0.000 2.011 138 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 138 E C 0.878 177.453 176.600 -0.041 0.000 0.980 138 E CA 1.291 57.669 56.400 -0.036 0.000 0.814 138 E CB 0.173 29.851 29.700 -0.036 0.000 0.775 138 E HN 0.465 nan 8.360 nan 0.000 0.454 139 T N 0.769 115.295 114.554 -0.046 0.000 2.902 139 T HA 0.426 4.776 4.350 -0.000 0.000 0.283 139 T C -2.296 172.368 174.700 -0.060 0.000 1.009 139 T CA -1.991 60.077 62.100 -0.054 0.000 1.051 139 T CB 1.532 70.365 68.868 -0.058 0.000 0.999 139 T HN -0.002 nan 8.240 nan 0.000 0.474 140 P HA 0.235 nan 4.420 nan 0.000 0.271 140 P C 0.666 177.912 177.300 -0.088 0.000 1.244 140 P CA -0.186 62.870 63.100 -0.073 0.000 0.793 140 P CB -0.010 31.645 31.700 -0.075 0.000 0.984 141 G N 1.065 109.809 108.800 -0.093 0.000 2.391 141 G HA2 0.235 4.195 3.960 -0.000 0.000 0.234 141 G HA3 0.235 4.195 3.960 -0.000 0.000 0.234 141 G C -0.029 174.779 174.900 -0.153 0.000 1.284 141 G CA -0.343 44.691 45.100 -0.110 0.000 0.873 141 G HN 0.357 nan 8.290 nan 0.000 0.549 142 I N 3.006 123.473 120.570 -0.172 0.000 2.306 142 I HA 0.321 4.490 4.170 -0.000 0.000 0.288 142 I C 0.859 176.739 176.117 -0.396 0.000 1.036 142 I CA -0.762 60.374 61.300 -0.273 0.000 1.221 142 I CB 0.611 38.486 38.000 -0.208 0.000 1.385 142 I HN 0.431 nan 8.210 nan 0.000 0.472 143 R N 4.783 124.987 120.500 -0.494 0.000 2.574 143 R HA 0.620 4.960 4.340 -0.000 0.000 0.266 143 R C -1.033 174.708 176.300 -0.932 0.000 1.157 143 R CA -0.420 55.349 56.100 -0.551 0.000 1.187 143 R CB 0.917 30.992 30.300 -0.376 0.000 1.179 143 R HN 0.392 nan 8.270 nan 0.000 0.600 144 Y N -1.777 118.138 120.300 -0.642 0.000 2.895 144 Y HA 0.235 4.785 4.550 -0.000 0.000 0.339 144 Y C -0.629 174.974 175.900 -0.496 0.000 1.363 144 Y CA -0.632 57.049 58.100 -0.698 0.000 1.085 144 Y CB 1.559 39.297 38.460 -1.203 0.000 1.500 144 Y HN 0.485 nan 8.280 nan 0.000 0.442 145 Q N -0.312 119.425 119.800 -0.104 0.000 2.578 145 Q HA 0.434 4.773 4.340 -0.000 0.000 0.284 145 Q C -2.224 173.717 176.000 -0.098 0.000 0.960 145 Q CA -0.799 54.993 55.803 -0.019 0.000 0.809 145 Q CB 2.384 31.102 28.738 -0.035 0.000 1.462 145 Q HN 0.649 nan 8.270 nan 0.000 0.392 146 Y N 1.019 121.382 120.300 0.106 0.000 2.361 146 Y HA 0.332 4.882 4.550 -0.000 0.000 0.332 146 Y C 0.571 176.489 175.900 0.029 0.000 1.101 146 Y CA 0.245 58.385 58.100 0.066 0.000 1.137 146 Y CB 1.489 39.993 38.460 0.074 0.000 1.207 146 Y HN 0.712 nan 8.280 nan 0.000 0.463 147 N N 0.163 118.987 118.700 0.207 0.000 2.460 147 N HA 0.060 4.800 4.740 -0.000 0.000 0.193 147 N C 0.133 175.748 175.510 0.176 0.000 1.080 147 N CA 0.152 53.284 53.050 0.137 0.000 0.869 147 N CB 0.643 39.172 38.487 0.069 0.000 1.201 147 N HN 0.380 nan 8.380 nan 0.000 0.457 148 V N -0.489 119.568 119.914 0.238 0.000 4.175 148 V HA 0.424 4.544 4.120 -0.000 0.000 0.272 148 V C 0.061 176.303 176.094 0.247 0.000 1.171 148 V CA -0.874 61.567 62.300 0.235 0.000 0.803 148 V CB 0.079 32.061 31.823 0.266 0.000 1.223 148 V HN -0.062 nan 8.190 nan 0.000 0.413 149 L N 1.923 123.311 121.223 0.275 0.000 2.264 149 L HA 0.523 4.863 4.340 -0.000 0.000 0.289 149 L C -2.486 174.488 176.870 0.174 0.000 1.044 149 L CA -1.609 53.381 54.840 0.250 0.000 0.807 149 L CB 1.465 43.690 42.059 0.277 0.000 1.192 149 L HN 0.510 nan 8.230 nan 0.000 0.425 150 P HA 0.192 nan 4.420 nan 0.000 0.286 150 P C -0.985 176.198 177.300 -0.194 0.000 1.269 150 P CA -0.641 62.161 63.100 -0.497 0.000 0.787 150 P CB 0.737 31.913 31.700 -0.873 0.000 0.920 151 Q N 1.291 121.014 119.800 -0.130 0.000 2.540 151 Q HA 0.250 4.590 4.340 -0.000 0.000 0.256 151 Q C 1.436 177.359 176.000 -0.128 0.000 1.084 151 Q CA 0.841 56.482 55.803 -0.271 0.000 0.956 151 Q CB -0.221 28.363 28.738 -0.257 0.000 1.303 151 Q HN 0.826 nan 8.270 nan 0.000 0.509 152 G N 0.055 108.756 108.800 -0.165 0.000 2.228 152 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.270 152 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.270 152 G C -0.451 174.441 174.900 -0.013 0.000 0.976 152 G CA 0.530 45.623 45.100 -0.011 0.000 0.636 152 G HN 0.657 nan 8.290 nan 0.000 0.542 153 W N 1.207 122.237 121.300 -0.450 0.000 2.313 153 W HA 0.698 5.357 4.660 -0.000 0.000 0.328 153 W C 1.078 177.396 176.519 -0.335 0.000 1.197 153 W CA -0.973 56.047 57.345 -0.540 0.000 1.235 153 W CB 0.729 29.772 29.460 -0.695 0.000 1.158 153 W HN -0.046 nan 8.180 nan 0.000 0.578 154 K N 2.348 122.273 120.400 -0.791 0.000 2.228 154 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 154 K C 2.013 177.910 176.600 -1.171 0.000 1.051 154 K CA 1.102 56.707 56.287 -1.137 0.000 0.960 154 K CB -0.142 31.253 32.500 -1.843 0.000 0.743 154 K HN 0.753 nan 8.250 nan 0.000 0.458 155 G N 0.406 108.104 108.800 -1.838 0.000 2.394 155 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 155 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 155 G C 1.414 175.780 174.900 -0.890 0.000 1.165 155 G CA 0.581 44.786 45.100 -1.492 0.000 0.784 155 G HN 0.149 nan 8.290 nan 0.000 0.535 156 S N 1.574 116.856 115.700 -0.697 0.000 2.393 156 S HA -0.170 4.300 4.470 -0.000 0.000 0.234 156 S C 0.349 175.040 174.600 0.153 0.000 1.064 156 S CA 2.021 60.311 58.200 0.149 0.000 1.088 156 S CB -0.847 62.600 63.200 0.412 0.000 0.939 156 S HN 0.496 nan 8.310 nan 0.000 0.448 157 P HA 0.153 nan 4.420 nan 0.000 0.216 157 P C 1.409 178.684 177.300 -0.042 0.000 1.154 157 P CA 1.371 64.525 63.100 0.091 0.000 0.857 157 P CB -0.189 31.552 31.700 0.069 0.000 0.787 158 A N -0.065 122.710 122.820 -0.074 0.000 2.054 158 A HA -0.202 4.118 4.320 -0.000 0.000 0.223 158 A C 2.247 179.841 177.584 0.016 0.000 1.169 158 A CA 1.785 53.812 52.037 -0.017 0.000 0.655 158 A CB -1.558 17.501 19.000 0.099 0.000 0.812 158 A HN 0.209 nan 8.150 nan 0.000 0.462 159 I N -3.492 117.113 120.570 0.059 0.000 2.681 159 I HA 0.029 4.199 4.170 -0.000 0.000 0.247 159 I C 2.051 178.190 176.117 0.037 0.000 1.091 159 I CA 0.522 61.878 61.300 0.092 0.000 1.442 159 I CB -0.348 37.746 38.000 0.157 0.000 1.219 159 I HN 0.291 nan 8.210 nan 0.000 0.451 160 F N 2.399 122.231 119.950 -0.197 0.000 2.346 160 F HA -0.272 4.255 4.527 -0.000 0.000 0.301 160 F C 2.582 178.265 175.800 -0.195 0.000 1.070 160 F CA 1.543 59.382 58.000 -0.269 0.000 1.407 160 F CB -0.623 38.026 39.000 -0.586 0.000 1.072 160 F HN 0.160 nan 8.300 nan 0.000 0.543 161 Q N -0.026 119.639 119.800 -0.224 0.000 2.197 161 Q HA -0.261 4.079 4.340 -0.000 0.000 0.211 161 Q C 1.998 177.819 176.000 -0.298 0.000 0.993 161 Q CA 2.380 58.032 55.803 -0.250 0.000 0.883 161 Q CB -0.290 28.369 28.738 -0.133 0.000 0.916 161 Q HN 0.485 nan 8.270 nan 0.000 0.418 162 S N 0.402 115.955 115.700 -0.245 0.000 2.355 162 S HA -0.137 4.332 4.470 -0.000 0.000 0.210 162 S C 1.843 176.278 174.600 -0.275 0.000 1.035 162 S CA 1.119 59.202 58.200 -0.194 0.000 1.011 162 S CB -0.702 62.432 63.200 -0.110 0.000 1.000 162 S HN 0.532 nan 8.310 nan 0.000 0.423 163 S N 0.723 116.244 115.700 -0.298 0.000 2.484 163 S HA -0.194 4.276 4.470 -0.000 0.000 0.250 163 S C 1.680 175.973 174.600 -0.512 0.000 0.995 163 S CA 1.357 59.384 58.200 -0.290 0.000 0.967 163 S CB -0.421 62.700 63.200 -0.131 0.000 0.752 163 S HN 0.352 nan 8.310 nan 0.000 0.517 164 M N 1.910 121.020 119.600 -0.817 0.000 2.095 164 M HA -0.020 4.460 4.480 -0.000 0.000 0.257 164 M C 2.370 178.463 176.300 -0.345 0.000 1.089 164 M CA 2.750 57.626 55.300 -0.707 0.000 1.138 164 M CB -1.564 30.613 32.600 -0.704 0.000 1.303 164 M HN 0.425 nan 8.290 nan 0.000 0.422 165 T N -0.748 113.647 114.554 -0.265 0.000 2.635 165 T HA -0.333 4.017 4.350 -0.000 0.000 0.265 165 T C 1.820 176.437 174.700 -0.138 0.000 1.058 165 T CA 2.459 64.464 62.100 -0.157 0.000 1.162 165 T CB -0.979 67.820 68.868 -0.114 0.000 0.859 165 T HN 0.562 nan 8.240 nan 0.000 0.449 166 K N 0.961 121.284 120.400 -0.127 0.000 2.009 166 K HA 0.003 4.323 4.320 -0.000 0.000 0.210 166 K C 2.434 178.934 176.600 -0.165 0.000 1.049 166 K CA 1.960 58.209 56.287 -0.064 0.000 0.929 166 K CB -0.562 31.945 32.500 0.012 0.000 0.714 166 K HN 0.448 nan 8.250 nan 0.000 0.440 167 I N 1.342 121.742 120.570 -0.284 0.000 2.399 167 I HA -0.276 3.894 4.170 -0.000 0.000 0.254 167 I C 1.970 177.599 176.117 -0.812 0.000 1.146 167 I CA 1.187 61.963 61.300 -0.873 0.000 1.412 167 I CB -0.265 37.468 38.000 -0.445 0.000 1.076 167 I HN 0.150 nan 8.210 nan 0.000 0.432 168 L N -0.153 120.876 121.223 -0.322 0.000 2.509 168 L HA -0.021 4.319 4.340 -0.000 0.000 0.222 168 L C 2.279 179.129 176.870 -0.034 0.000 1.123 168 L CA 0.192 54.971 54.840 -0.101 0.000 0.856 168 L CB -0.398 41.603 42.059 -0.097 0.000 0.985 168 L HN 0.138 nan 8.230 nan 0.000 0.456 169 E N 0.555 120.721 120.200 -0.056 0.000 2.118 169 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 169 E C -0.710 175.898 176.600 0.013 0.000 0.992 169 E CA 1.028 57.425 56.400 -0.005 0.000 0.804 169 E CB -1.412 28.296 29.700 0.014 0.000 0.741 169 E HN 0.362 nan 8.360 nan 0.000 0.458 170 P HA -0.026 nan 4.420 nan 0.000 0.259 170 P C 0.110 177.343 177.300 -0.112 0.000 1.307 170 P CA 0.755 63.887 63.100 0.053 0.000 0.768 170 P CB -0.210 31.671 31.700 0.301 0.000 1.199 171 F N -1.830 117.934 119.950 -0.310 0.000 1.890 171 F HA 0.221 4.747 4.527 -0.000 0.000 0.261 171 F C 2.020 177.720 175.800 -0.167 0.000 1.066 171 F CA -0.012 57.794 58.000 -0.324 0.000 1.235 171 F CB 0.117 38.784 39.000 -0.555 0.000 1.548 171 F HN -0.444 nan 8.300 nan 0.000 0.593 172 R N 0.989 121.581 120.500 0.153 0.000 2.113 172 R HA -0.189 4.151 4.340 -0.000 0.000 0.244 172 R C 1.768 178.081 176.300 0.021 0.000 1.142 172 R CA 2.290 58.447 56.100 0.095 0.000 0.953 172 R CB -0.307 30.023 30.300 0.050 0.000 0.860 172 R HN 0.277 nan 8.270 nan 0.000 0.438 173 K N 0.236 120.631 120.400 -0.009 0.000 2.228 173 K HA -0.135 4.185 4.320 -0.000 0.000 0.202 173 K C 1.634 178.196 176.600 -0.064 0.000 1.051 173 K CA 1.098 57.369 56.287 -0.026 0.000 0.960 173 K CB 0.139 32.629 32.500 -0.017 0.000 0.743 173 K HN 0.219 nan 8.250 nan 0.000 0.458 174 Q N 0.387 120.116 119.800 -0.117 0.000 2.228 174 Q HA 0.116 4.456 4.340 -0.000 0.000 0.211 174 Q C -0.596 175.242 176.000 -0.271 0.000 0.890 174 Q CA 0.382 56.076 55.803 -0.183 0.000 0.953 174 Q CB 0.187 28.797 28.738 -0.213 0.000 1.053 174 Q HN 0.016 nan 8.270 nan 0.000 0.471 175 N N -0.864 117.723 118.700 -0.189 0.000 2.704 175 N HA 0.137 4.877 4.740 -0.000 0.000 0.226 175 N C -2.557 172.933 175.510 -0.033 0.000 1.368 175 N CA -0.518 52.438 53.050 -0.156 0.000 1.385 175 N CB 0.968 39.291 38.487 -0.274 0.000 1.500 175 N HN 0.028 nan 8.380 nan 0.000 0.580 176 P HA -0.206 nan 4.420 nan 0.000 0.218 176 P C 0.980 178.285 177.300 0.008 0.000 1.146 176 P CA 1.256 64.354 63.100 -0.002 0.000 0.813 176 P CB 0.147 31.840 31.700 -0.013 0.000 0.778 177 D N 0.548 120.948 120.400 0.001 0.000 2.088 177 D HA -0.172 4.468 4.640 -0.000 0.000 0.191 177 D C 0.917 177.233 176.300 0.027 0.000 0.992 177 D CA 0.894 54.898 54.000 0.006 0.000 0.831 177 D CB -1.254 39.546 40.800 0.000 0.000 0.973 177 D HN 0.165 nan 8.370 nan 0.000 0.447 178 I N 1.774 122.379 120.570 0.058 0.000 2.742 178 I HA -0.048 4.122 4.170 -0.000 0.000 0.287 178 I C 0.151 176.323 176.117 0.092 0.000 1.186 178 I CA -0.211 61.149 61.300 0.099 0.000 1.417 178 I CB 0.796 38.906 38.000 0.183 0.000 1.377 178 I HN -0.135 nan 8.210 nan 0.000 0.556 179 V N 8.289 128.248 119.914 0.074 0.000 2.509 179 V HA 0.387 4.507 4.120 -0.000 0.000 0.284 179 V C 0.242 176.404 176.094 0.113 0.000 1.047 179 V CA -0.355 61.988 62.300 0.072 0.000 0.952 179 V CB 1.709 33.553 31.823 0.036 0.000 0.988 179 V HN 0.476 nan 8.190 nan 0.000 0.469 180 I N 4.476 125.123 120.570 0.127 0.000 2.466 180 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 180 I C -1.286 174.972 176.117 0.236 0.000 1.026 180 I CA -0.603 60.791 61.300 0.156 0.000 1.078 180 I CB 1.862 39.914 38.000 0.087 0.000 1.249 180 I HN 0.593 nan 8.210 nan 0.000 0.429 181 Y N 5.679 126.057 120.300 0.130 0.000 2.562 181 Y HA 0.516 5.066 4.550 -0.000 0.000 0.343 181 Y C -0.954 175.007 175.900 0.102 0.000 1.025 181 Y CA -0.907 57.285 58.100 0.154 0.000 1.082 181 Y CB 1.868 40.490 38.460 0.270 0.000 1.264 181 Y HN 0.482 nan 8.280 nan 0.000 0.478 182 Q N 4.058 123.445 119.800 -0.688 0.000 2.274 182 Q HA 0.311 4.651 4.340 -0.000 0.000 0.268 182 Q C -2.438 173.126 176.000 -0.726 0.000 1.015 182 Q CA -0.773 54.700 55.803 -0.551 0.000 0.775 182 Q CB 1.806 30.385 28.738 -0.265 0.000 1.256 182 Q HN 0.737 nan 8.270 nan 0.000 0.442 183 Y N 5.065 124.981 120.300 -0.639 0.000 2.338 183 Y HA 0.326 4.876 4.550 -0.000 0.000 0.333 183 Y C 0.470 176.230 175.900 -0.233 0.000 0.968 183 Y CA -0.311 57.546 58.100 -0.405 0.000 1.123 183 Y CB 1.221 39.557 38.460 -0.207 0.000 1.165 183 Y HN 1.028 nan 8.280 nan 0.000 0.452 184 M N 2.400 121.537 119.600 -0.772 0.000 7.319 184 M HA -0.440 4.040 4.480 -0.000 0.000 0.288 184 M C 0.170 176.256 176.300 -0.356 0.000 0.480 184 M CA 2.974 57.919 55.300 -0.591 0.000 1.311 184 M CB -1.084 31.193 32.600 -0.538 0.000 0.421 184 M HN 0.777 nan 8.290 nan 0.000 0.490 185 D N -0.274 119.946 120.400 -0.300 0.000 2.441 185 D HA 0.239 4.879 4.640 -0.000 0.000 0.210 185 D C -0.563 175.610 176.300 -0.212 0.000 1.102 185 D CA 0.148 53.928 54.000 -0.367 0.000 0.840 185 D CB 0.188 40.755 40.800 -0.388 0.000 0.990 185 D HN 0.379 nan 8.370 nan 0.000 0.505 186 D N 0.608 120.909 120.400 -0.165 0.000 2.181 186 D HA 0.383 5.023 4.640 -0.000 0.000 0.248 186 D C -0.674 175.410 176.300 -0.360 0.000 1.020 186 D CA -0.509 53.364 54.000 -0.212 0.000 0.891 186 D CB 2.379 43.078 40.800 -0.167 0.000 1.187 186 D HN -0.091 nan 8.370 nan 0.000 0.443 187 L N 2.187 123.219 121.223 -0.318 0.000 2.356 187 L HA 0.334 4.674 4.340 -0.000 0.000 0.277 187 L C -1.447 175.319 176.870 -0.175 0.000 0.996 187 L CA -0.612 54.072 54.840 -0.260 0.000 0.822 187 L CB 1.133 43.128 42.059 -0.106 0.000 1.256 187 L HN 0.299 nan 8.230 nan 0.000 0.413 188 Y N 4.100 124.455 120.300 0.091 0.000 2.320 188 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 188 Y C 0.218 176.180 175.900 0.104 0.000 1.055 188 Y CA -1.159 57.016 58.100 0.124 0.000 1.143 188 Y CB 1.527 40.109 38.460 0.203 0.000 1.193 188 Y HN 0.258 nan 8.280 nan 0.000 0.477 189 V N 2.827 122.904 119.914 0.272 0.000 2.233 189 V HA 0.350 4.470 4.120 -0.000 0.000 0.261 189 V C 0.585 176.820 176.094 0.235 0.000 1.076 189 V CA -0.866 61.555 62.300 0.201 0.000 1.001 189 V CB 0.133 32.040 31.823 0.140 0.000 1.206 189 V HN 0.970 nan 8.190 nan 0.000 0.468 190 G N 1.920 110.807 108.800 0.146 0.000 2.378 190 G HA2 0.494 4.454 3.960 -0.000 0.000 0.255 190 G HA3 0.494 4.454 3.960 -0.000 0.000 0.255 190 G C 0.191 175.103 174.900 0.020 0.000 1.270 190 G CA 0.611 45.736 45.100 0.040 0.000 0.876 190 G HN 0.823 nan 8.290 nan 0.000 0.521 191 S N 0.212 115.840 115.700 -0.119 0.000 2.851 191 S HA 0.627 5.097 4.470 -0.000 0.000 0.313 191 S C -0.600 173.902 174.600 -0.163 0.000 1.163 191 S CA -0.770 57.362 58.200 -0.112 0.000 0.850 191 S CB 2.567 65.725 63.200 -0.070 0.000 1.245 191 S HN 0.320 nan 8.310 nan 0.000 0.558 192 D N 0.518 120.857 120.400 -0.102 0.000 2.760 192 D HA 0.356 4.996 4.640 -0.000 0.000 0.314 192 D C -0.160 176.108 176.300 -0.054 0.000 1.464 192 D CA 0.009 53.961 54.000 -0.080 0.000 0.797 192 D CB 0.361 41.131 40.800 -0.050 0.000 1.149 192 D HN 0.589 nan 8.370 nan 0.000 0.455 193 L N -1.622 119.567 121.223 -0.057 0.000 2.267 193 L HA 0.727 5.066 4.340 -0.000 0.000 0.264 193 L C 0.356 177.233 176.870 0.010 0.000 1.021 193 L CA -1.185 53.653 54.840 -0.003 0.000 0.861 193 L CB 0.576 42.661 42.059 0.044 0.000 1.443 193 L HN -0.352 nan 8.230 nan 0.000 0.475 194 E N -0.088 120.138 120.200 0.044 0.000 2.349 194 E HA 0.210 4.560 4.350 -0.000 0.000 0.262 194 E C 0.410 177.082 176.600 0.119 0.000 1.088 194 E CA -0.036 56.400 56.400 0.060 0.000 0.899 194 E CB 1.268 30.993 29.700 0.040 0.000 1.044 194 E HN 0.643 nan 8.360 nan 0.000 0.420 195 I N 2.342 122.988 120.570 0.127 0.000 2.493 195 I HA -0.052 4.118 4.170 -0.000 0.000 0.254 195 I C 1.529 177.700 176.117 0.090 0.000 1.160 195 I CA 1.475 62.868 61.300 0.155 0.000 1.445 195 I CB -0.235 37.847 38.000 0.137 0.000 1.086 195 I HN 0.744 nan 8.210 nan 0.000 0.433 196 G N -0.061 108.778 108.800 0.065 0.000 2.527 196 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 196 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 196 G C 1.172 176.097 174.900 0.042 0.000 1.117 196 G CA 0.988 46.113 45.100 0.041 0.000 0.759 196 G HN 0.495 nan 8.290 nan 0.000 0.556 197 Q N -2.154 117.685 119.800 0.066 0.000 2.546 197 Q HA 0.162 4.502 4.340 -0.000 0.000 0.203 197 Q C 1.872 177.928 176.000 0.093 0.000 0.740 197 Q CA 0.239 56.082 55.803 0.067 0.000 0.879 197 Q CB -0.283 28.495 28.738 0.066 0.000 1.265 197 Q HN 0.359 nan 8.270 nan 0.000 0.585 198 H N 1.986 121.074 119.070 0.030 0.000 2.330 198 H HA -0.205 4.351 4.556 -0.000 0.000 0.290 198 H C 1.964 177.312 175.328 0.032 0.000 1.111 198 H CA 2.505 58.574 56.048 0.036 0.000 1.226 198 H CB 0.149 29.931 29.762 0.034 0.000 1.355 198 H HN 0.130 nan 8.280 nan 0.000 0.485 199 R N -0.828 119.611 120.500 -0.101 0.000 2.092 199 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 199 R C 1.824 178.054 176.300 -0.116 0.000 1.119 199 R CA 1.836 57.833 56.100 -0.171 0.000 0.970 199 R CB -0.096 30.158 30.300 -0.077 0.000 0.864 199 R HN 0.485 nan 8.270 nan 0.000 0.440 200 T N 0.659 115.185 114.554 -0.045 0.000 2.985 200 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 200 T C 1.619 176.323 174.700 0.007 0.000 1.076 200 T CA 0.484 62.574 62.100 -0.016 0.000 1.135 200 T CB 0.026 68.898 68.868 0.007 0.000 0.890 200 T HN 0.041 nan 8.240 nan 0.000 0.480 201 K N 1.066 121.476 120.400 0.017 0.000 2.217 201 K HA 0.123 4.443 4.320 -0.000 0.000 0.202 201 K C 1.969 178.611 176.600 0.070 0.000 1.051 201 K CA 0.441 56.783 56.287 0.093 0.000 0.952 201 K CB -0.307 32.274 32.500 0.135 0.000 0.736 201 K HN 0.312 nan 8.250 nan 0.000 0.453 202 I N 0.899 121.430 120.570 -0.064 0.000 2.406 202 I HA -0.136 4.033 4.170 -0.000 0.000 0.249 202 I C 1.812 177.890 176.117 -0.066 0.000 1.122 202 I CA 0.822 62.058 61.300 -0.107 0.000 1.431 202 I CB -0.684 37.206 38.000 -0.183 0.000 1.087 202 I HN 0.080 nan 8.210 nan 0.000 0.424 203 E N 1.091 121.266 120.200 -0.043 0.000 2.401 203 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 203 E C 1.897 178.512 176.600 0.024 0.000 1.023 203 E CA 0.749 57.138 56.400 -0.018 0.000 0.859 203 E CB 0.091 29.781 29.700 -0.016 0.000 0.780 203 E HN 0.574 nan 8.360 nan 0.000 0.523 204 E N -0.263 119.974 120.200 0.062 0.000 2.127 204 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 204 E C 2.016 178.677 176.600 0.103 0.000 0.964 204 E CA -0.027 56.461 56.400 0.146 0.000 0.832 204 E CB 0.019 29.877 29.700 0.262 0.000 0.790 204 E HN 0.127 nan 8.360 nan 0.000 0.465 205 L N 1.194 122.350 121.223 -0.112 0.000 2.549 205 L HA -0.085 4.255 4.340 -0.000 0.000 0.229 205 L C 2.179 178.952 176.870 -0.162 0.000 1.158 205 L CA 0.574 55.135 54.840 -0.466 0.000 0.842 205 L CB 0.039 41.714 42.059 -0.639 0.000 0.952 205 L HN 0.072 nan 8.230 nan 0.000 0.452 206 R N -1.164 119.303 120.500 -0.056 0.000 2.052 206 R HA -0.073 4.267 4.340 -0.000 0.000 0.224 206 R C 2.101 178.423 176.300 0.036 0.000 1.149 206 R CA 0.819 56.910 56.100 -0.016 0.000 0.962 206 R CB -0.199 30.095 30.300 -0.011 0.000 0.856 206 R HN 0.315 nan 8.270 nan 0.000 0.433 207 Q N -0.056 119.788 119.800 0.073 0.000 2.226 207 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 207 Q C 1.804 177.909 176.000 0.175 0.000 0.975 207 Q CA 1.519 57.388 55.803 0.110 0.000 0.866 207 Q CB -0.437 28.369 28.738 0.114 0.000 0.915 207 Q HN 0.485 nan 8.270 nan 0.000 0.440 208 H N 0.514 119.627 119.070 0.071 0.000 2.299 208 H HA 0.034 4.590 4.556 -0.000 0.000 0.302 208 H C 1.843 177.221 175.328 0.084 0.000 1.078 208 H CA 1.387 57.488 56.048 0.089 0.000 1.323 208 H CB -0.192 29.550 29.762 -0.034 0.000 1.381 208 H HN 0.118 nan 8.280 nan 0.000 0.498 209 L N -0.255 120.918 121.223 -0.082 0.000 2.291 209 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 209 L C 2.217 179.119 176.870 0.053 0.000 1.120 209 L CA 0.433 55.220 54.840 -0.089 0.000 0.799 209 L CB -0.272 41.749 42.059 -0.064 0.000 0.925 209 L HN 0.307 nan 8.230 nan 0.000 0.446 210 L N 0.107 121.371 121.223 0.069 0.000 1.925 210 L HA -0.125 4.214 4.340 -0.000 0.000 0.215 210 L C 2.029 178.958 176.870 0.098 0.000 1.082 210 L CA 1.706 56.590 54.840 0.075 0.000 0.764 210 L CB -0.434 41.664 42.059 0.065 0.000 0.887 210 L HN 0.066 nan 8.230 nan 0.000 0.432 211 R N -0.865 119.700 120.500 0.109 0.000 2.858 211 R HA -0.098 4.242 4.340 -0.000 0.000 0.228 211 R C 0.503 176.846 176.300 0.072 0.000 1.471 211 R CA 0.313 56.460 56.100 0.078 0.000 1.342 211 R CB -1.247 29.094 30.300 0.067 0.000 1.152 211 R HN 0.566 nan 8.270 nan 0.000 0.521 212 W N -1.236 120.025 121.300 -0.065 0.000 2.725 212 W HA 0.232 4.892 4.660 -0.000 0.000 0.336 212 W C 1.280 177.772 176.519 -0.045 0.000 1.012 212 W CA 0.703 57.994 57.345 -0.090 0.000 1.566 212 W CB 1.035 30.366 29.460 -0.214 0.000 1.068 212 W HN 0.377 nan 8.180 nan 0.000 0.546 213 G N -0.133 108.754 108.800 0.146 0.000 2.612 213 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.200 213 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.200 213 G C 0.187 175.143 174.900 0.094 0.000 1.053 213 G CA -0.228 44.934 45.100 0.103 0.000 0.707 213 G HN -0.027 nan 8.290 nan 0.000 0.497 214 L N 1.753 123.045 121.223 0.115 0.000 2.453 214 L HA 0.639 4.979 4.340 -0.000 0.000 0.261 214 L C 0.183 177.081 176.870 0.046 0.000 1.179 214 L CA 0.080 54.962 54.840 0.069 0.000 0.813 214 L CB 1.057 43.162 42.059 0.077 0.000 1.110 214 L HN 0.197 nan 8.230 nan 0.000 0.466 215 T N -0.110 114.458 114.554 0.023 0.000 2.916 215 T HA 0.399 4.749 4.350 -0.000 0.000 0.298 215 T C -0.446 174.255 174.700 0.002 0.000 1.031 215 T CA -0.495 61.616 62.100 0.018 0.000 0.993 215 T CB 1.960 70.841 68.868 0.022 0.000 1.045 215 T HN 0.519 nan 8.240 nan 0.000 0.454 216 T N 4.164 118.720 114.554 0.002 0.000 2.792 216 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 216 T C -1.921 172.781 174.700 0.003 0.000 0.990 216 T CA -0.998 61.099 62.100 -0.006 0.000 0.960 216 T CB 1.165 70.028 68.868 -0.009 0.000 0.939 216 T HN 0.381 nan 8.240 nan 0.000 0.439 232 Y N 1.096 121.438 120.300 0.070 0.000 2.231 232 Y HA 0.118 4.668 4.550 -0.000 0.000 0.294 232 Y C 1.853 177.787 175.900 0.056 0.000 1.120 232 Y CA 0.754 58.888 58.100 0.057 0.000 1.141 232 Y CB 0.055 38.539 38.460 0.041 0.000 1.022 232 Y HN 0.406 nan 8.280 nan 0.000 0.523 233 E N 1.328 121.668 120.200 0.233 0.000 2.410 233 E HA 0.276 4.626 4.350 -0.000 0.000 0.255 233 E C -1.049 175.511 176.600 -0.068 0.000 1.194 233 E CA -0.067 56.381 56.400 0.081 0.000 0.955 233 E CB 0.992 30.743 29.700 0.084 0.000 0.988 233 E HN 0.063 nan 8.360 nan 0.000 0.461 234 L N 0.125 121.151 121.223 -0.329 0.000 2.393 234 L HA 0.330 4.670 4.340 -0.000 0.000 0.260 234 L C -0.938 175.520 176.870 -0.687 0.000 1.002 234 L CA -0.605 54.034 54.840 -0.334 0.000 0.818 234 L CB 1.856 43.854 42.059 -0.102 0.000 1.369 234 L HN 0.632 nan 8.230 nan 0.000 0.412 235 H N -0.832 118.218 119.070 -0.032 0.000 2.946 235 H HA 0.275 4.831 4.556 0.000 0.000 0.217 235 H C -2.377 172.916 175.328 -0.058 0.000 1.393 235 H CA -1.411 54.595 56.048 -0.070 0.000 1.306 235 H CB -0.137 29.570 29.762 -0.093 0.000 2.062 235 H HN 0.306 nan 8.280 nan 0.000 0.520 236 P HA -0.219 nan 4.420 nan 0.000 0.219 236 P C 1.233 178.582 177.300 0.082 0.000 1.145 236 P CA 1.584 64.736 63.100 0.087 0.000 0.813 236 P CB 0.458 32.151 31.700 -0.013 0.000 0.771 237 D N -0.312 120.097 120.400 0.015 0.000 2.144 237 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 237 D C 0.775 177.092 176.300 0.029 0.000 0.978 237 D CA 0.868 54.867 54.000 -0.002 0.000 0.833 237 D CB -0.389 40.385 40.800 -0.043 0.000 0.961 237 D HN 0.071 nan 8.370 nan 0.000 0.470 238 K N -0.640 119.753 120.400 -0.012 0.000 3.245 238 K HA 0.049 4.369 4.320 -0.000 0.000 0.285 238 K C -0.118 176.399 176.600 -0.139 0.000 1.156 238 K CA -0.034 56.180 56.287 -0.121 0.000 1.162 238 K CB -0.220 32.127 32.500 -0.256 0.000 1.365 238 K HN 0.444 nan 8.250 nan 0.000 0.316 239 W N -1.538 119.760 121.300 -0.003 0.000 5.307 239 W HA -0.172 4.488 4.660 -0.000 0.000 0.157 239 W C 0.142 176.661 176.519 -0.000 0.000 3.263 239 W CA -0.011 57.340 57.345 0.010 0.000 1.792 239 W CB 0.269 29.750 29.460 0.034 0.000 1.117 239 W HN 0.212 nan 8.180 nan 0.000 1.023 240 T N 1.244 115.969 114.554 0.285 0.000 0.543 240 T HA -0.242 4.108 4.350 -0.000 0.000 0.774 240 T C 0.079 174.813 174.700 0.056 0.000 0.992 240 T CA 0.904 63.074 62.100 0.117 0.000 4.076 240 T CB -1.483 67.429 68.868 0.074 0.000 2.302 240 T HN 0.080 nan 8.240 nan 0.000 0.398 241 V N 2.316 122.247 119.914 0.028 0.000 3.566 241 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 241 V C 0.562 176.654 176.094 -0.003 0.000 1.105 241 V CA 0.480 62.779 62.300 -0.003 0.000 1.142 241 V CB 0.715 32.554 31.823 0.027 0.000 1.107 241 V HN 1.038 nan 8.190 nan 0.000 0.481 242 Q N 1.175 120.968 119.800 -0.011 0.000 2.484 242 Q HA 0.684 5.024 4.340 -0.000 0.000 0.285 242 Q C -2.726 173.307 176.000 0.056 0.000 1.097 242 Q CA -1.755 54.050 55.803 0.004 0.000 0.802 242 Q CB 0.598 29.302 28.738 -0.057 0.000 1.444 242 Q HN 0.462 nan 8.270 nan 0.000 0.429 243 P HA 0.229 nan 4.420 nan 0.000 0.288 243 P C -0.261 177.075 177.300 0.060 0.000 1.291 243 P CA -0.267 62.867 63.100 0.057 0.000 0.766 243 P CB 0.528 32.250 31.700 0.036 0.000 1.242 244 I N -0.946 119.635 120.570 0.018 0.000 3.491 244 I HA 0.104 4.274 4.170 -0.000 0.000 0.332 244 I C 0.754 176.856 176.117 -0.025 0.000 1.565 244 I CA -1.068 60.231 61.300 -0.002 0.000 1.050 244 I CB -0.499 37.479 38.000 -0.037 0.000 1.348 244 I HN 0.034 nan 8.210 nan 0.000 0.506 245 V N 3.064 122.973 119.914 -0.009 0.000 2.970 245 V HA -0.195 3.925 4.120 -0.000 0.000 0.277 245 V C 0.165 176.250 176.094 -0.017 0.000 1.486 245 V CA 1.158 63.453 62.300 -0.009 0.000 1.480 245 V CB 0.389 32.215 31.823 0.004 0.000 0.866 245 V HN 0.327 nan 8.190 nan 0.000 0.512 246 L N 8.086 129.304 121.223 -0.008 0.000 2.330 246 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 246 L C -1.979 174.923 176.870 0.053 0.000 1.013 246 L CA -1.891 52.952 54.840 0.004 0.000 0.816 246 L CB 2.028 44.077 42.059 -0.016 0.000 1.287 246 L HN 0.563 nan 8.230 nan 0.000 0.435 247 P HA 0.132 nan 4.420 nan 0.000 0.276 247 P C -1.272 176.217 177.300 0.316 0.000 1.230 247 P CA -0.262 62.941 63.100 0.171 0.000 0.776 247 P CB 0.924 32.740 31.700 0.195 0.000 0.888 248 E N 3.161 123.472 120.200 0.185 0.000 2.102 248 E HA 0.283 4.633 4.350 -0.000 0.000 0.263 248 E C -0.248 176.384 176.600 0.053 0.000 0.894 248 E CA -0.517 56.012 56.400 0.215 0.000 0.746 248 E CB 1.751 31.519 29.700 0.114 0.000 1.129 248 E HN 0.423 nan 8.360 nan 0.000 0.416 249 K N 1.341 121.761 120.400 0.033 0.000 2.395 249 K HA 0.355 4.674 4.320 -0.000 0.000 0.245 249 K C -0.056 176.450 176.600 -0.157 0.000 1.017 249 K CA -0.818 55.207 56.287 -0.436 0.000 0.852 249 K CB 1.534 33.163 32.500 -1.451 0.000 1.311 249 K HN 0.223 nan 8.250 nan 0.000 0.452 250 D N -0.028 120.233 120.400 -0.232 0.000 2.417 250 D HA 0.075 4.715 4.640 -0.000 0.000 0.207 250 D C -0.268 175.973 176.300 -0.100 0.000 1.075 250 D CA 0.459 54.424 54.000 -0.059 0.000 0.851 250 D CB 0.807 41.575 40.800 -0.055 0.000 0.976 250 D HN 0.235 nan 8.370 nan 0.000 0.505 251 S N -0.146 115.330 115.700 -0.373 0.000 2.570 251 S HA 0.552 5.022 4.470 -0.000 0.000 0.286 251 S C -1.437 172.767 174.600 -0.660 0.000 1.099 251 S CA -0.801 57.223 58.200 -0.293 0.000 0.913 251 S CB 1.744 64.821 63.200 -0.205 0.000 1.085 251 S HN 0.110 nan 8.310 nan 0.000 0.480 252 W N 1.524 122.813 121.300 -0.019 0.000 2.604 252 W HA 0.366 5.026 4.660 -0.000 0.000 0.302 252 W C 0.639 177.146 176.519 -0.021 0.000 1.013 252 W CA -0.710 56.622 57.345 -0.022 0.000 1.338 252 W CB 0.766 30.213 29.460 -0.022 0.000 1.233 252 W HN 0.796 nan 8.180 nan 0.000 0.390 253 T N -1.728 112.886 114.554 0.100 0.000 2.619 253 T HA 0.080 4.430 4.350 -0.000 0.000 0.330 253 T C 1.104 175.856 174.700 0.087 0.000 1.037 253 T CA -0.067 62.071 62.100 0.063 0.000 1.005 253 T CB 0.810 69.685 68.868 0.013 0.000 1.084 253 T HN 0.136 nan 8.240 nan 0.000 0.521 254 V N 2.438 122.382 119.914 0.050 0.000 2.237 254 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 254 V C 3.020 179.139 176.094 0.042 0.000 1.046 254 V CA 2.339 64.664 62.300 0.041 0.000 1.007 254 V CB -1.242 30.595 31.823 0.023 0.000 0.638 254 V HN 1.024 nan 8.190 nan 0.000 0.445 255 N N 0.758 119.476 118.700 0.031 0.000 2.106 255 N HA -0.237 4.502 4.740 -0.000 0.000 0.188 255 N C 1.629 177.166 175.510 0.045 0.000 1.029 255 N CA 2.201 55.265 53.050 0.024 0.000 0.848 255 N CB -0.821 37.670 38.487 0.007 0.000 1.007 255 N HN 0.539 nan 8.380 nan 0.000 0.423 256 D N -0.614 119.821 120.400 0.059 0.000 2.322 256 D HA -0.115 4.525 4.640 -0.000 0.000 0.210 256 D C 1.478 177.907 176.300 0.216 0.000 0.983 256 D CA 0.779 54.840 54.000 0.102 0.000 0.902 256 D CB 0.111 40.951 40.800 0.066 0.000 0.905 256 D HN 0.307 nan 8.370 nan 0.000 0.483 257 I N -0.329 120.336 120.570 0.158 0.000 3.136 257 I HA -0.018 4.152 4.170 -0.000 0.000 0.262 257 I C 2.050 178.190 176.117 0.039 0.000 1.132 257 I CA 0.543 61.913 61.300 0.116 0.000 1.450 257 I CB -1.111 36.941 38.000 0.088 0.000 1.315 257 I HN 0.069 nan 8.210 nan 0.000 0.460 258 Q N 0.844 120.662 119.800 0.030 0.000 2.376 258 Q HA -0.212 4.128 4.340 -0.000 0.000 0.211 258 Q C 1.823 177.821 176.000 -0.003 0.000 0.986 258 Q CA 1.311 57.119 55.803 0.008 0.000 0.886 258 Q CB 0.039 28.782 28.738 0.008 0.000 0.927 258 Q HN 0.494 nan 8.270 nan 0.000 0.457 259 K N 0.214 120.616 120.400 0.005 0.000 2.019 259 K HA -0.049 4.271 4.320 -0.000 0.000 0.209 259 K C 1.865 178.445 176.600 -0.034 0.000 1.032 259 K CA 0.382 56.657 56.287 -0.019 0.000 0.947 259 K CB -0.358 32.138 32.500 -0.008 0.000 0.757 259 K HN 0.028 nan 8.250 nan 0.000 0.444 260 L N 1.907 123.128 121.223 -0.004 0.000 2.283 260 L HA -0.200 4.140 4.340 -0.000 0.000 0.217 260 L C 1.854 178.684 176.870 -0.066 0.000 1.104 260 L CA 1.344 56.163 54.840 -0.034 0.000 0.772 260 L CB -0.207 41.842 42.059 -0.017 0.000 0.899 260 L HN 0.009 nan 8.230 nan 0.000 0.439 261 V N -0.993 118.890 119.914 -0.050 0.000 2.302 261 V HA -0.073 4.047 4.120 -0.000 0.000 0.243 261 V C 2.547 178.622 176.094 -0.033 0.000 1.036 261 V CA 1.544 63.817 62.300 -0.046 0.000 1.020 261 V CB -1.286 30.516 31.823 -0.034 0.000 0.657 261 V HN 0.544 nan 8.190 nan 0.000 0.453 262 G N 0.215 108.998 108.800 -0.029 0.000 2.446 262 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.217 262 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.217 262 G C 1.599 176.482 174.900 -0.029 0.000 1.168 262 G CA 1.396 46.491 45.100 -0.008 0.000 0.771 262 G HN 0.530 nan 8.290 nan 0.000 0.551 263 K N 0.249 120.570 120.400 -0.131 0.000 1.991 263 K HA 0.000 4.320 4.320 -0.000 0.000 0.212 263 K C 2.342 178.861 176.600 -0.135 0.000 1.049 263 K CA 1.185 57.310 56.287 -0.269 0.000 0.932 263 K CB -0.484 31.840 32.500 -0.294 0.000 0.717 263 K HN 0.293 nan 8.250 nan 0.000 0.441 264 L N 1.569 122.747 121.223 -0.075 0.000 2.651 264 L HA -0.139 4.201 4.340 -0.000 0.000 0.236 264 L C 2.012 178.902 176.870 0.035 0.000 1.173 264 L CA 0.656 55.486 54.840 -0.017 0.000 0.843 264 L CB -0.606 41.424 42.059 -0.049 0.000 0.964 264 L HN 0.451 nan 8.230 nan 0.000 0.454 265 N N -0.642 118.093 118.700 0.058 0.000 2.278 265 N HA -0.156 4.584 4.740 -0.000 0.000 0.181 265 N C 1.662 177.252 175.510 0.132 0.000 1.023 265 N CA 0.998 54.090 53.050 0.070 0.000 0.862 265 N CB -0.164 38.368 38.487 0.075 0.000 1.003 265 N HN 0.156 nan 8.380 nan 0.000 0.431 266 W N 1.075 122.422 121.300 0.078 0.000 2.409 266 W HA 0.296 4.956 4.660 -0.000 0.000 0.299 266 W C 2.318 179.159 176.519 0.537 0.000 1.203 266 W CA 1.349 58.885 57.345 0.318 0.000 1.298 266 W CB -0.673 29.071 29.460 0.474 0.000 1.127 266 W HN 0.162 nan 8.180 nan 0.000 0.528 267 A N 0.034 123.319 122.820 0.776 0.000 2.234 267 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 267 A C 2.043 179.833 177.584 0.343 0.000 1.167 267 A CA 2.085 54.517 52.037 0.658 0.000 0.698 267 A CB -1.031 18.208 19.000 0.399 0.000 0.779 267 A HN 0.286 nan 8.150 nan 0.000 0.475 268 S N -0.457 115.374 115.700 0.219 0.000 2.377 268 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 268 S C 1.848 176.462 174.600 0.023 0.000 1.030 268 S CA 0.977 59.235 58.200 0.097 0.000 0.970 268 S CB -0.578 62.630 63.200 0.014 0.000 0.830 268 S HN 0.681 nan 8.310 nan 0.000 0.473 269 Q N 0.642 120.385 119.800 -0.096 0.000 2.234 269 Q HA 0.029 4.369 4.340 -0.000 0.000 0.206 269 Q C 2.095 177.982 176.000 -0.189 0.000 0.980 269 Q CA 1.508 57.094 55.803 -0.362 0.000 0.869 269 Q CB -0.434 27.761 28.738 -0.906 0.000 0.912 269 Q HN 0.632 nan 8.270 nan 0.000 0.436 270 I N -1.225 119.382 120.570 0.062 0.000 2.429 270 I HA -0.110 4.060 4.170 -0.000 0.000 0.247 270 I C 0.074 176.238 176.117 0.077 0.000 1.099 270 I CA 0.523 61.902 61.300 0.131 0.000 1.422 270 I CB 0.368 38.512 38.000 0.239 0.000 1.112 270 I HN 0.055 nan 8.210 nan 0.000 0.430 271 Y N 2.112 122.434 120.300 0.036 0.000 2.402 271 Y HA 0.277 4.827 4.550 -0.000 0.000 0.332 271 Y C -1.656 174.247 175.900 0.006 0.000 0.960 271 Y CA -2.838 55.283 58.100 0.036 0.000 1.228 271 Y CB 0.451 38.943 38.460 0.054 0.000 1.120 271 Y HN -0.019 nan 8.280 nan 0.000 0.491 272 P HA -0.021 nan 4.420 nan 0.000 0.237 272 P C 1.099 178.425 177.300 0.044 0.000 1.178 272 P CA 0.825 63.945 63.100 0.034 0.000 0.766 272 P CB 0.435 32.129 31.700 -0.011 0.000 0.876 273 G N -0.087 108.767 108.800 0.089 0.000 3.262 273 G HA2 0.175 4.135 3.960 -0.000 0.000 0.228 273 G HA3 0.175 4.135 3.960 -0.000 0.000 0.228 273 G C 0.552 175.485 174.900 0.055 0.000 1.197 273 G CA -0.191 44.949 45.100 0.066 0.000 0.819 273 G HN 0.228 nan 8.290 nan 0.000 0.531 274 I N 0.782 121.383 120.570 0.053 0.000 2.428 274 I HA 0.335 4.505 4.170 -0.000 0.000 0.296 274 I C -0.239 175.876 176.117 -0.003 0.000 0.985 274 I CA -0.800 60.510 61.300 0.017 0.000 1.260 274 I CB 1.765 39.774 38.000 0.015 0.000 1.389 274 I HN -0.147 nan 8.210 nan 0.000 0.484 275 K N 4.227 124.615 120.400 -0.020 0.000 2.156 275 K HA 0.400 4.720 4.320 -0.000 0.000 0.250 275 K C 0.165 176.742 176.600 -0.039 0.000 0.955 275 K CA -0.450 55.820 56.287 -0.029 0.000 0.855 275 K CB 2.934 35.415 32.500 -0.032 0.000 1.101 275 K HN 0.414 nan 8.250 nan 0.000 0.434 276 V N 1.615 121.506 119.914 -0.039 0.000 3.054 276 V HA -0.031 4.089 4.120 -0.000 0.000 0.227 276 V C 1.700 177.765 176.094 -0.048 0.000 1.252 276 V CA 0.410 62.684 62.300 -0.044 0.000 1.279 276 V CB 0.046 31.847 31.823 -0.036 0.000 1.118 276 V HN 0.670 nan 8.190 nan 0.000 0.504 277 R N 0.664 121.140 120.500 -0.040 0.000 2.261 277 R HA -0.277 4.063 4.340 -0.000 0.000 0.252 277 R C 2.172 178.446 176.300 -0.043 0.000 1.116 277 R CA 2.603 58.681 56.100 -0.037 0.000 0.942 277 R CB -1.368 28.913 30.300 -0.032 0.000 0.932 277 R HN 0.576 nan 8.270 nan 0.000 0.441 278 Q N -0.054 119.716 119.800 -0.049 0.000 2.096 278 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 278 Q C 2.279 178.236 176.000 -0.071 0.000 0.982 278 Q CA 1.192 56.962 55.803 -0.056 0.000 0.850 278 Q CB -0.166 28.537 28.738 -0.060 0.000 0.901 278 Q HN 0.405 nan 8.270 nan 0.000 0.422 279 L N 0.597 121.769 121.223 -0.086 0.000 2.592 279 L HA 0.001 4.341 4.340 -0.000 0.000 0.227 279 L C 1.981 178.803 176.870 -0.080 0.000 1.127 279 L CA 0.467 55.242 54.840 -0.109 0.000 0.884 279 L CB 0.045 42.017 42.059 -0.146 0.000 1.065 279 L HN 0.154 nan 8.230 nan 0.000 0.457 280 S N -1.736 113.929 115.700 -0.058 0.000 2.492 280 S HA -0.049 4.421 4.470 -0.000 0.000 0.218 280 S C 1.796 176.377 174.600 -0.032 0.000 1.016 280 S CA -0.140 58.035 58.200 -0.041 0.000 0.916 280 S CB 0.040 63.219 63.200 -0.035 0.000 0.791 280 S HN 0.252 nan 8.310 nan 0.000 0.513 281 K N 0.495 120.875 120.400 -0.034 0.000 2.459 281 K HA 0.294 4.614 4.320 -0.000 0.000 0.193 281 K C 0.965 177.552 176.600 -0.023 0.000 1.030 281 K CA 0.000 56.272 56.287 -0.026 0.000 1.026 281 K CB -0.261 32.224 32.500 -0.026 0.000 0.809 281 K HN 0.219 nan 8.250 nan 0.000 0.504 282 L N 1.616 122.822 121.223 -0.029 0.000 2.661 282 L HA -0.083 4.257 4.340 -0.000 0.000 0.236 282 L C 0.251 177.117 176.870 -0.008 0.000 1.176 282 L CA 1.292 56.119 54.840 -0.021 0.000 0.836 282 L CB -0.649 41.392 42.059 -0.029 0.000 0.960 282 L HN 0.235 nan 8.230 nan 0.000 0.455 283 L N -5.251 115.967 121.223 -0.008 0.000 3.076 283 L HA 0.295 4.635 4.340 -0.000 0.000 0.240 283 L C -0.114 176.754 176.870 -0.004 0.000 0.982 283 L CA -0.870 53.968 54.840 -0.002 0.000 1.030 283 L CB 1.032 43.093 42.059 0.004 0.000 1.560 283 L HN -0.204 nan 8.230 nan 0.000 0.432 284 R N 1.004 121.502 120.500 -0.003 0.000 2.539 284 R HA 0.399 4.739 4.340 -0.000 0.000 0.342 284 R C 0.314 176.613 176.300 -0.001 0.000 0.941 284 R CA 0.490 56.588 56.100 -0.003 0.000 1.146 284 R CB 1.188 31.485 30.300 -0.005 0.000 1.541 284 R HN 0.975 nan 8.270 nan 0.000 0.525 285 G N -0.338 108.462 108.800 0.000 0.000 2.461 285 G HA2 0.150 4.110 3.960 -0.000 0.000 0.329 285 G HA3 0.150 4.110 3.960 -0.000 0.000 0.329 285 G C 0.111 175.012 174.900 0.002 0.000 1.170 285 G CA -0.341 44.759 45.100 0.001 0.000 0.935 285 G HN 0.140 nan 8.290 nan 0.000 0.492 286 T N -0.035 114.520 114.554 0.002 0.000 4.612 286 T HA 0.118 4.468 4.350 -0.000 0.000 0.226 286 T C 0.571 175.272 174.700 0.003 0.000 0.789 286 T CA -0.212 61.890 62.100 0.003 0.000 0.896 286 T CB -0.630 68.239 68.868 0.002 0.000 1.419 286 T HN 0.238 nan 8.240 nan 0.000 0.898 287 K N 1.410 121.812 120.400 0.004 0.000 2.397 287 K HA 0.341 4.661 4.320 -0.000 0.000 0.265 287 K C 0.555 177.158 176.600 0.005 0.000 0.982 287 K CA -0.058 56.232 56.287 0.005 0.000 0.931 287 K CB 0.375 32.879 32.500 0.008 0.000 0.943 287 K HN 0.590 nan 8.250 nan 0.000 0.501 288 A N 3.135 125.958 122.820 0.004 0.000 2.347 288 A HA 0.086 4.406 4.320 -0.000 0.000 0.287 288 A C 1.316 178.902 177.584 0.004 0.000 1.199 288 A CA -0.436 51.602 52.037 0.003 0.000 0.851 288 A CB 0.040 19.040 19.000 0.001 0.000 1.118 288 A HN 0.646 nan 8.150 nan 0.000 0.525 289 L N 2.816 124.041 121.223 0.003 0.000 2.149 289 L HA -0.259 4.081 4.340 -0.000 0.000 0.223 289 L C 2.430 179.302 176.870 0.003 0.000 1.089 289 L CA 2.842 57.684 54.840 0.004 0.000 0.800 289 L CB -0.678 41.380 42.059 -0.001 0.000 0.897 289 L HN 0.768 nan 8.230 nan 0.000 0.443 290 T N -1.709 112.844 114.554 -0.002 0.000 3.107 290 T HA 0.046 4.396 4.350 -0.000 0.000 0.249 290 T C 0.455 175.154 174.700 -0.002 0.000 1.096 290 T CA -0.231 61.865 62.100 -0.006 0.000 1.012 290 T CB -0.357 68.504 68.868 -0.013 0.000 0.977 290 T HN 0.376 nan 8.240 nan 0.000 0.527 291 E N 2.516 122.719 120.200 0.006 0.000 2.271 291 E HA 0.122 4.472 4.350 -0.000 0.000 0.255 291 E C -0.335 176.277 176.600 0.019 0.000 1.177 291 E CA -0.285 56.121 56.400 0.009 0.000 0.946 291 E CB 0.317 30.023 29.700 0.012 0.000 1.009 291 E HN 0.141 nan 8.360 nan 0.000 0.451 292 V N 5.227 125.149 119.914 0.013 0.000 2.509 292 V HA -0.085 4.035 4.120 -0.000 0.000 0.297 292 V C 0.701 176.822 176.094 0.044 0.000 1.014 292 V CA 0.778 63.092 62.300 0.023 0.000 1.127 292 V CB -0.652 31.171 31.823 0.001 0.000 0.925 292 V HN 0.564 nan 8.190 nan 0.000 0.480 293 I N 2.777 123.396 120.570 0.081 0.000 2.908 293 I HA 0.450 4.620 4.170 -0.000 0.000 0.319 293 I C -2.773 173.409 176.117 0.110 0.000 1.471 293 I CA -1.937 59.410 61.300 0.078 0.000 0.809 293 I CB 1.279 39.311 38.000 0.054 0.000 2.186 293 I HN 0.336 nan 8.210 nan 0.000 0.607 294 P HA 0.140 nan 4.420 nan 0.000 0.264 294 P C -0.134 177.209 177.300 0.072 0.000 1.229 294 P CA 0.270 63.473 63.100 0.172 0.000 0.780 294 P CB 0.839 32.664 31.700 0.208 0.000 0.808 295 L N 3.329 124.569 121.223 0.028 0.000 3.267 295 L HA 0.315 4.655 4.340 -0.000 0.000 0.289 295 L C 0.011 176.873 176.870 -0.013 0.000 1.260 295 L CA 0.603 55.447 54.840 0.007 0.000 1.034 295 L CB 0.404 42.467 42.059 0.007 0.000 1.413 295 L HN 0.290 nan 8.230 nan 0.000 0.594 296 T N -2.608 111.931 114.554 -0.026 0.000 2.786 296 T HA 0.237 4.587 4.350 -0.000 0.000 0.316 296 T C 0.509 175.189 174.700 -0.033 0.000 1.503 296 T CA -0.683 61.399 62.100 -0.030 0.000 1.019 296 T CB 2.060 70.903 68.868 -0.041 0.000 1.415 296 T HN -0.078 nan 8.240 nan 0.000 0.496 297 E N 1.124 121.308 120.200 -0.027 0.000 2.042 297 E HA -0.063 4.286 4.350 -0.000 0.000 0.189 297 E C 1.288 177.868 176.600 -0.033 0.000 0.974 297 E CA 1.187 57.572 56.400 -0.025 0.000 0.806 297 E CB 0.071 29.760 29.700 -0.018 0.000 0.769 297 E HN 0.671 nan 8.360 nan 0.000 0.451 298 E N 1.759 121.938 120.200 -0.035 0.000 2.158 298 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 298 E C 1.950 178.518 176.600 -0.054 0.000 0.982 298 E CA 0.961 57.338 56.400 -0.039 0.000 0.823 298 E CB -0.285 29.395 29.700 -0.033 0.000 0.766 298 E HN 0.263 nan 8.360 nan 0.000 0.468 299 A N 1.449 124.231 122.820 -0.063 0.000 1.855 299 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 299 A C 2.002 179.516 177.584 -0.117 0.000 1.191 299 A CA 1.477 53.461 52.037 -0.089 0.000 0.613 299 A CB -0.466 18.479 19.000 -0.093 0.000 0.829 299 A HN 0.168 nan 8.150 nan 0.000 0.442 300 E N -0.894 119.241 120.200 -0.109 0.000 2.265 300 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 300 E C 1.767 178.312 176.600 -0.091 0.000 0.996 300 E CA 0.870 57.198 56.400 -0.121 0.000 0.832 300 E CB -0.115 29.536 29.700 -0.081 0.000 0.756 300 E HN 0.493 nan 8.360 nan 0.000 0.491 301 L N 1.092 122.273 121.223 -0.069 0.000 2.162 301 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 301 L C 2.122 178.956 176.870 -0.060 0.000 1.086 301 L CA 1.711 56.520 54.840 -0.052 0.000 0.778 301 L CB -0.312 41.724 42.059 -0.039 0.000 0.928 301 L HN 0.001 nan 8.230 nan 0.000 0.446 302 E N -0.466 119.692 120.200 -0.071 0.000 2.085 302 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 302 E C 2.206 178.752 176.600 -0.091 0.000 0.994 302 E CA 1.679 58.035 56.400 -0.073 0.000 0.801 302 E CB -0.257 29.396 29.700 -0.078 0.000 0.743 302 E HN 0.445 nan 8.360 nan 0.000 0.453 303 L N 1.391 122.538 121.223 -0.126 0.000 1.956 303 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 303 L C 2.332 179.138 176.870 -0.107 0.000 1.073 303 L CA 2.816 57.562 54.840 -0.156 0.000 0.762 303 L CB -1.106 40.810 42.059 -0.237 0.000 0.889 303 L HN 0.127 nan 8.230 nan 0.000 0.433 304 A N -1.287 121.483 122.820 -0.083 0.000 2.178 304 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 304 A C 2.262 179.821 177.584 -0.042 0.000 1.157 304 A CA 1.597 53.604 52.037 -0.051 0.000 0.689 304 A CB -0.761 18.219 19.000 -0.035 0.000 0.787 304 A HN 0.766 nan 8.150 nan 0.000 0.465 305 E N 0.064 120.235 120.200 -0.048 0.000 2.024 305 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 305 E C 1.344 177.921 176.600 -0.040 0.000 0.974 305 E CA 0.737 57.115 56.400 -0.036 0.000 0.810 305 E CB -0.259 29.420 29.700 -0.035 0.000 0.775 305 E HN 0.503 nan 8.360 nan 0.000 0.453 306 N N 1.138 119.805 118.700 -0.054 0.000 2.334 306 N HA -0.196 4.544 4.740 -0.000 0.000 0.187 306 N C 1.816 177.279 175.510 -0.078 0.000 1.016 306 N CA 0.831 53.844 53.050 -0.062 0.000 0.879 306 N CB -0.401 38.042 38.487 -0.072 0.000 0.965 306 N HN 0.243 nan 8.380 nan 0.000 0.438 307 R N 0.923 121.383 120.500 -0.068 0.000 2.193 307 R HA 0.001 4.341 4.340 -0.000 0.000 0.213 307 R C 1.241 177.513 176.300 -0.046 0.000 1.055 307 R CA 0.719 56.782 56.100 -0.062 0.000 0.995 307 R CB 0.237 30.509 30.300 -0.048 0.000 0.893 307 R HN 0.005 nan 8.270 nan 0.000 0.459 308 E N 0.662 120.843 120.200 -0.031 0.000 2.285 308 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 308 E C 1.813 178.417 176.600 0.006 0.000 0.997 308 E CA 0.653 57.048 56.400 -0.008 0.000 0.845 308 E CB 0.110 29.810 29.700 -0.000 0.000 0.782 308 E HN 0.449 nan 8.360 nan 0.000 0.491 309 I N 0.445 121.006 120.570 -0.014 0.000 2.500 309 I HA -0.172 3.998 4.170 -0.000 0.000 0.252 309 I C 1.856 177.937 176.117 -0.062 0.000 1.142 309 I CA 0.562 61.874 61.300 0.021 0.000 1.451 309 I CB -0.152 37.855 38.000 0.012 0.000 1.093 309 I HN -0.025 nan 8.210 nan 0.000 0.430 310 L N 0.916 122.022 121.223 -0.195 0.000 2.675 310 L HA -0.033 4.307 4.340 -0.000 0.000 0.238 310 L C 1.716 178.562 176.870 -0.039 0.000 1.155 310 L CA 0.797 55.485 54.840 -0.254 0.000 0.881 310 L CB -0.619 41.311 42.059 -0.216 0.000 1.008 310 L HN 0.294 nan 8.230 nan 0.000 0.443 311 K N -0.336 120.082 120.400 0.029 0.000 2.399 311 K HA 0.049 4.369 4.320 -0.000 0.000 0.196 311 K C 0.558 177.224 176.600 0.112 0.000 1.117 311 K CA -0.101 56.223 56.287 0.061 0.000 0.965 311 K CB 0.487 33.013 32.500 0.042 0.000 0.983 311 K HN -0.078 nan 8.250 nan 0.000 0.531 312 E N 3.931 124.228 120.200 0.162 0.000 1.996 312 E HA 0.074 4.424 4.350 -0.000 0.000 0.280 312 E C -2.418 174.352 176.600 0.283 0.000 1.092 312 E CA -3.097 53.425 56.400 0.203 0.000 0.862 312 E CB 0.386 30.210 29.700 0.206 0.000 1.066 312 E HN -0.048 nan 8.360 nan 0.000 0.396 313 P HA -0.128 nan 4.420 nan 0.000 0.256 313 P C 0.482 177.745 177.300 -0.062 0.000 1.173 313 P CA 0.060 63.210 63.100 0.083 0.000 0.768 313 P CB 0.694 32.401 31.700 0.013 0.000 0.758 314 V N 5.023 124.800 119.914 -0.227 0.000 3.629 314 V HA -0.183 3.937 4.120 -0.000 0.000 0.280 314 V C 0.080 176.020 176.094 -0.257 0.000 1.307 314 V CA 1.082 63.123 62.300 -0.431 0.000 1.393 314 V CB -0.349 31.112 31.823 -0.603 0.000 1.090 314 V HN 0.665 nan 8.190 nan 0.000 0.513 315 H N 0.872 119.830 119.070 -0.188 0.000 2.759 315 H HA 0.642 5.198 4.556 -0.000 0.000 0.354 315 H C 0.454 175.749 175.328 -0.055 0.000 1.074 315 H CA 0.200 56.198 56.048 -0.083 0.000 1.226 315 H CB 1.844 31.570 29.762 -0.060 0.000 1.648 315 H HN 0.896 nan 8.280 nan 0.000 0.529 316 G N 1.429 110.280 108.800 0.085 0.000 2.425 316 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.177 316 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.177 316 G C -0.219 174.736 174.900 0.092 0.000 0.999 316 G CA -0.091 45.054 45.100 0.075 0.000 0.723 316 G HN 0.805 nan 8.290 nan 0.000 0.491 317 V N -0.493 119.466 119.914 0.074 0.000 2.390 317 V HA 0.609 4.729 4.120 -0.000 0.000 0.260 317 V C -0.173 176.027 176.094 0.177 0.000 1.043 317 V CA -0.632 61.727 62.300 0.100 0.000 1.047 317 V CB -0.032 31.826 31.823 0.059 0.000 1.066 317 V HN 0.511 nan 8.190 nan 0.000 0.481 318 Y N 6.800 127.133 120.300 0.055 0.000 2.447 318 Y HA 0.444 4.994 4.550 -0.000 0.000 0.325 318 Y C -0.408 175.540 175.900 0.081 0.000 0.976 318 Y CA -2.058 56.077 58.100 0.059 0.000 1.280 318 Y CB 1.170 39.643 38.460 0.021 0.000 1.104 318 Y HN 0.785 nan 8.280 nan 0.000 0.486 319 Y N 5.964 125.995 120.300 -0.448 0.000 2.730 319 Y HA 0.200 4.750 4.550 -0.000 0.000 0.354 319 Y C -0.441 175.145 175.900 -0.523 0.000 1.139 319 Y CA -0.393 57.481 58.100 -0.376 0.000 1.516 319 Y CB -0.108 38.287 38.460 -0.108 0.000 1.204 319 Y HN 0.619 nan 8.280 nan 0.000 0.520 320 D N 9.327 129.303 120.400 -0.708 0.000 2.396 320 D HA 0.235 4.874 4.640 -0.000 0.000 0.225 320 D C -2.016 173.825 176.300 -0.766 0.000 1.121 320 D CA -2.654 50.973 54.000 -0.622 0.000 0.853 320 D CB 1.391 42.073 40.800 -0.196 0.000 1.043 320 D HN 0.366 nan 8.370 nan 0.000 0.500 321 P HA -0.061 nan 4.420 nan 0.000 0.239 321 P C 0.389 177.584 177.300 -0.175 0.000 1.184 321 P CA 0.365 63.161 63.100 -0.507 0.000 0.760 321 P CB -0.034 31.543 31.700 -0.205 0.000 0.884 322 S N -1.788 113.814 115.700 -0.163 0.000 2.618 322 S HA 0.300 4.770 4.470 -0.000 0.000 0.242 322 S C 0.375 174.940 174.600 -0.057 0.000 0.972 322 S CA -0.393 57.764 58.200 -0.071 0.000 1.004 322 S CB -0.353 62.818 63.200 -0.048 0.000 0.778 322 S HN 0.027 nan 8.310 nan 0.000 0.459 323 K N 0.096 120.451 120.400 -0.076 0.000 2.555 323 K HA 0.328 4.648 4.320 -0.000 0.000 0.279 323 K C -1.877 174.688 176.600 -0.059 0.000 0.986 323 K CA -0.821 55.433 56.287 -0.055 0.000 0.880 323 K CB 1.196 33.662 32.500 -0.056 0.000 1.474 323 K HN 0.015 nan 8.250 nan 0.000 0.433 324 D N 1.651 122.018 120.400 -0.055 0.000 2.308 324 D HA 0.184 4.824 4.640 -0.000 0.000 0.251 324 D C -0.731 175.478 176.300 -0.151 0.000 1.127 324 D CA -0.220 53.735 54.000 -0.076 0.000 0.876 324 D CB 0.882 41.650 40.800 -0.054 0.000 1.176 324 D HN 0.146 nan 8.370 nan 0.000 0.446 325 L N 4.153 125.255 121.223 -0.201 0.000 2.331 325 L HA 0.318 4.658 4.340 -0.000 0.000 0.278 325 L C 0.726 177.369 176.870 -0.378 0.000 1.106 325 L CA 0.110 54.746 54.840 -0.341 0.000 0.824 325 L CB 0.618 42.427 42.059 -0.416 0.000 1.142 325 L HN 0.257 nan 8.230 nan 0.000 0.443 326 I N 1.593 121.819 120.570 -0.574 0.000 3.474 326 I HA 0.866 5.035 4.170 -0.000 0.000 0.294 326 I C -0.166 175.511 176.117 -0.734 0.000 1.185 326 I CA -1.092 59.818 61.300 -0.651 0.000 1.003 326 I CB 1.860 39.344 38.000 -0.861 0.000 1.327 326 I HN 0.642 nan 8.210 nan 0.000 0.541 327 A N 1.654 124.104 122.820 -0.616 0.000 2.534 327 A HA 0.466 4.785 4.320 -0.000 0.000 0.300 327 A C -1.294 176.146 177.584 -0.240 0.000 1.054 327 A CA -0.647 51.105 52.037 -0.474 0.000 0.858 327 A CB 0.939 19.490 19.000 -0.749 0.000 1.333 327 A HN 0.677 nan 8.150 nan 0.000 0.391 328 E N 1.445 121.611 120.200 -0.057 0.000 2.235 328 E HA 0.809 5.159 4.350 -0.000 0.000 0.265 328 E C -0.711 175.912 176.600 0.038 0.000 0.940 328 E CA -0.720 55.695 56.400 0.026 0.000 0.819 328 E CB 2.346 32.106 29.700 0.099 0.000 1.206 328 E HN 0.609 nan 8.360 nan 0.000 0.409 329 I N 0.675 121.292 120.570 0.079 0.000 3.174 329 I HA 0.331 4.501 4.170 -0.000 0.000 0.313 329 I C -1.024 175.202 176.117 0.180 0.000 1.155 329 I CA -1.060 60.329 61.300 0.148 0.000 0.977 329 I CB 2.216 40.335 38.000 0.197 0.000 1.248 329 I HN 0.350 nan 8.210 nan 0.000 0.453 330 Q N 1.625 121.573 119.800 0.247 0.000 2.345 330 Q HA 0.371 4.710 4.340 -0.000 0.000 0.275 330 Q C -1.102 174.982 176.000 0.139 0.000 1.063 330 Q CA -0.820 55.096 55.803 0.189 0.000 0.819 330 Q CB 2.745 31.555 28.738 0.119 0.000 1.356 330 Q HN 0.337 nan 8.270 nan 0.000 0.418 331 K N 2.068 122.411 120.400 -0.095 0.000 2.268 331 K HA 0.183 4.503 4.320 -0.000 0.000 0.276 331 K C -0.446 175.874 176.600 -0.467 0.000 1.080 331 K CA -0.138 55.742 56.287 -0.677 0.000 0.910 331 K CB 0.621 32.840 32.500 -0.467 0.000 1.163 331 K HN 0.492 nan 8.250 nan 0.000 0.465 332 Q N 2.805 122.287 119.800 -0.530 0.000 2.225 332 Q HA 0.161 4.501 4.340 -0.000 0.000 0.259 332 Q C 0.409 176.221 176.000 -0.314 0.000 0.872 332 Q CA 0.065 55.685 55.803 -0.305 0.000 1.042 332 Q CB 0.925 29.548 28.738 -0.191 0.000 1.142 332 Q HN 0.992 nan 8.270 nan 0.000 0.463 333 G N 1.686 110.252 108.800 -0.391 0.000 2.916 333 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.533 333 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.533 333 G C -0.375 174.362 174.900 -0.270 0.000 1.516 333 G CA -0.333 44.597 45.100 -0.284 0.000 0.944 333 G HN 0.457 nan 8.290 nan 0.000 0.555 334 Q N -0.959 118.730 119.800 -0.185 0.000 2.410 334 Q HA -0.115 4.225 4.340 -0.000 0.000 0.369 334 Q C 1.713 177.608 176.000 -0.174 0.000 1.342 334 Q CA 1.764 57.480 55.803 -0.145 0.000 1.133 334 Q CB -1.475 27.197 28.738 -0.110 0.000 1.288 334 Q HN 2.709 nan 8.270 nan 0.000 0.320 335 G N 1.039 109.739 108.800 -0.168 0.000 2.256 335 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.279 335 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.279 335 G C 0.041 174.800 174.900 -0.236 0.000 0.998 335 G CA 0.984 46.002 45.100 -0.136 0.000 0.720 335 G HN 0.477 nan 8.290 nan 0.000 0.521 336 Q N -0.853 118.712 119.800 -0.391 0.000 2.322 336 Q HA 0.575 4.915 4.340 -0.000 0.000 0.256 336 Q C -0.741 174.928 176.000 -0.553 0.000 0.960 336 Q CA -0.236 55.364 55.803 -0.340 0.000 0.934 336 Q CB 0.485 29.080 28.738 -0.238 0.000 1.200 336 Q HN 0.432 nan 8.270 nan 0.000 0.435 337 W N 1.888 123.191 121.300 0.006 0.000 2.781 337 W HA 0.445 5.105 4.660 -0.000 0.000 0.333 337 W C -0.499 176.091 176.519 0.118 0.000 1.047 337 W CA -0.789 56.613 57.345 0.096 0.000 1.236 337 W CB 1.696 31.277 29.460 0.202 0.000 1.394 337 W HN 0.475 nan 8.180 nan 0.000 0.466 338 T N 0.389 115.093 114.554 0.249 0.000 2.829 338 T HA 0.771 5.121 4.350 -0.000 0.000 0.280 338 T C -0.940 173.815 174.700 0.091 0.000 0.999 338 T CA -0.586 61.567 62.100 0.088 0.000 0.983 338 T CB 1.303 70.182 68.868 0.018 0.000 0.968 338 T HN 0.394 nan 8.240 nan 0.000 0.446 339 Y N 0.295 120.532 120.300 -0.106 0.000 2.634 339 Y HA 0.814 5.364 4.550 -0.000 0.000 0.340 339 Y C -1.226 174.527 175.900 -0.246 0.000 1.058 339 Y CA -1.593 56.411 58.100 -0.159 0.000 1.081 339 Y CB 1.622 40.024 38.460 -0.096 0.000 1.295 339 Y HN 0.536 nan 8.280 nan 0.000 0.487 340 Q N 1.891 121.718 119.800 0.044 0.000 2.878 340 Q HA 0.432 4.772 4.340 -0.000 0.000 0.232 340 Q C -1.482 174.612 176.000 0.157 0.000 0.893 340 Q CA -0.242 55.567 55.803 0.009 0.000 0.742 340 Q CB 1.577 30.236 28.738 -0.131 0.000 1.354 340 Q HN 0.684 nan 8.270 nan 0.000 0.466 341 I N 3.481 124.139 120.570 0.147 0.000 2.587 341 I HA 0.234 4.404 4.170 -0.000 0.000 0.284 341 I C -0.434 175.693 176.117 0.018 0.000 1.134 341 I CA -0.309 60.981 61.300 -0.016 0.000 1.410 341 I CB -0.293 37.751 38.000 0.075 0.000 1.392 341 I HN 0.526 nan 8.210 nan 0.000 0.545 342 Y N 3.445 123.620 120.300 -0.209 0.000 2.565 342 Y HA 0.337 4.887 4.550 -0.000 0.000 0.330 342 Y C -0.266 175.511 175.900 -0.206 0.000 1.150 342 Y CA -1.094 56.892 58.100 -0.190 0.000 1.055 342 Y CB 0.999 39.373 38.460 -0.143 0.000 1.337 342 Y HN 0.467 nan 8.280 nan 0.000 0.457 343 Q N 0.508 120.335 119.800 0.046 0.000 2.373 343 Q HA 0.220 4.559 4.340 -0.000 0.000 0.210 343 Q C -0.379 175.709 176.000 0.147 0.000 0.913 343 Q CA 0.572 56.360 55.803 -0.024 0.000 0.911 343 Q CB 0.752 29.446 28.738 -0.073 0.000 1.040 343 Q HN 0.611 nan 8.270 nan 0.000 0.521 344 E N 0.256 120.596 120.200 0.234 0.000 2.359 344 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 344 E C -2.641 173.943 176.600 -0.026 0.000 0.920 344 E CA -2.510 53.971 56.400 0.134 0.000 0.788 344 E CB 1.463 31.209 29.700 0.077 0.000 1.279 344 E HN -0.206 nan 8.360 nan 0.000 0.438 345 P HA 0.039 nan 4.420 nan 0.000 0.260 345 P C -0.608 176.535 177.300 -0.261 0.000 1.207 345 P CA 0.513 63.368 63.100 -0.409 0.000 0.780 345 P CB -0.284 31.316 31.700 -0.167 0.000 0.789 346 F N 1.407 121.186 119.950 -0.285 0.000 2.544 346 F HA -0.232 4.295 4.527 -0.000 0.000 0.389 346 F C 0.493 176.198 175.800 -0.158 0.000 0.588 346 F CA 0.769 58.648 58.000 -0.203 0.000 1.461 346 F CB -1.975 36.954 39.000 -0.119 0.000 1.995 346 F HN 0.321 nan 8.300 nan 0.000 0.282 347 K N 1.342 121.718 120.400 -0.040 0.000 2.602 347 K HA 0.287 4.607 4.320 -0.000 0.000 0.201 347 K C -0.388 176.219 176.600 0.012 0.000 1.070 347 K CA -0.500 55.790 56.287 0.005 0.000 1.026 347 K CB 0.300 32.827 32.500 0.044 0.000 1.534 347 K HN 0.018 nan 8.250 nan 0.000 0.560 348 N N 3.133 121.831 118.700 -0.003 0.000 2.399 348 N HA 0.032 4.772 4.740 -0.000 0.000 0.259 348 N C 0.952 176.510 175.510 0.080 0.000 1.160 348 N CA 0.047 53.136 53.050 0.065 0.000 0.946 348 N CB 0.679 39.188 38.487 0.037 0.000 1.156 348 N HN 0.375 nan 8.380 nan 0.000 0.489 349 L N 0.018 121.300 121.223 0.099 0.000 2.642 349 L HA 0.047 4.386 4.340 -0.000 0.000 0.236 349 L C 0.704 177.715 176.870 0.234 0.000 1.169 349 L CA 0.871 55.805 54.840 0.157 0.000 0.851 349 L CB -0.423 41.739 42.059 0.172 0.000 0.968 349 L HN 0.324 nan 8.230 nan 0.000 0.453 350 K N 0.365 120.873 120.400 0.180 0.000 2.740 350 K HA 0.271 4.591 4.320 -0.000 0.000 0.279 350 K C -1.109 175.550 176.600 0.099 0.000 1.038 350 K CA -0.064 56.324 56.287 0.167 0.000 0.887 350 K CB 1.962 34.642 32.500 0.300 0.000 1.411 350 K HN 0.012 nan 8.250 nan 0.000 0.381 351 T N -0.908 113.640 114.554 -0.010 0.000 2.982 351 T HA 0.839 5.189 4.350 -0.000 0.000 0.321 351 T C -0.126 174.313 174.700 -0.434 0.000 1.229 351 T CA -0.326 61.656 62.100 -0.197 0.000 1.044 351 T CB 2.158 70.959 68.868 -0.111 0.000 1.184 351 T HN 0.656 nan 8.240 nan 0.000 0.477 352 G N 1.383 109.536 108.800 -1.078 0.000 2.749 352 G HA2 0.795 4.755 3.960 -0.000 0.000 0.300 352 G HA3 0.795 4.755 3.960 -0.000 0.000 0.300 352 G C -1.979 172.361 174.900 -0.934 0.000 1.352 352 G CA -1.313 43.178 45.100 -1.015 0.000 0.789 352 G HN 0.918 nan 8.290 nan 0.000 0.509 353 K N -0.724 119.387 120.400 -0.482 0.000 2.464 353 K HA 0.524 4.844 4.320 -0.000 0.000 0.253 353 K C -2.113 174.526 176.600 0.065 0.000 0.933 353 K CA -0.943 55.257 56.287 -0.146 0.000 0.801 353 K CB 2.941 35.358 32.500 -0.137 0.000 1.271 353 K HN 0.451 nan 8.250 nan 0.000 0.430 354 Y N 1.585 121.959 120.300 0.123 0.000 2.335 354 Y HA 0.605 5.155 4.550 -0.000 0.000 0.338 354 Y C -1.328 174.673 175.900 0.168 0.000 0.977 354 Y CA -1.097 57.098 58.100 0.158 0.000 1.114 354 Y CB 1.515 40.120 38.460 0.242 0.000 1.182 354 Y HN 0.831 nan 8.280 nan 0.000 0.463 355 A N 7.056 129.693 122.820 -0.305 0.000 2.330 355 A HA 0.541 4.861 4.320 -0.000 0.000 0.327 355 A C -0.377 176.847 177.584 -0.600 0.000 1.155 355 A CA -1.097 50.724 52.037 -0.359 0.000 0.803 355 A CB 0.712 19.639 19.000 -0.122 0.000 1.208 355 A HN 0.871 nan 8.150 nan 0.000 0.477 356 R N 3.020 123.263 120.500 -0.430 0.000 2.481 356 R HA -0.004 4.336 4.340 -0.000 0.000 0.291 356 R C -0.019 176.204 176.300 -0.128 0.000 0.934 356 R CA 0.549 56.478 56.100 -0.285 0.000 1.116 356 R CB -0.013 30.208 30.300 -0.133 0.000 0.895 356 R HN 0.790 nan 8.270 nan 0.000 0.410 357 M N 3.721 123.309 119.600 -0.019 0.000 2.240 357 M HA 0.051 4.531 4.480 -0.000 0.000 0.317 357 M C 0.908 177.232 176.300 0.038 0.000 1.087 357 M CA 0.643 55.985 55.300 0.071 0.000 1.176 357 M CB 0.302 32.979 32.600 0.128 0.000 1.439 357 M HN 0.452 nan 8.290 nan 0.000 0.452 358 R N 0.507 121.039 120.500 0.052 0.000 2.585 358 R HA 0.026 4.366 4.340 -0.000 0.000 0.275 358 R C 1.155 177.480 176.300 0.042 0.000 1.018 358 R CA 1.146 57.272 56.100 0.042 0.000 1.072 358 R CB -0.087 30.242 30.300 0.048 0.000 0.953 358 R HN 1.031 nan 8.270 nan 0.000 0.419 359 G N 1.518 110.340 108.800 0.037 0.000 2.377 359 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.250 359 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.250 359 G C 0.395 175.330 174.900 0.059 0.000 1.039 359 G CA 0.252 45.379 45.100 0.046 0.000 0.625 359 G HN 0.923 nan 8.290 nan 0.000 0.526 360 A N 1.964 124.811 122.820 0.046 0.000 2.547 360 A HA 0.490 4.810 4.320 -0.000 0.000 0.233 360 A C 0.934 178.535 177.584 0.028 0.000 1.067 360 A CA 0.847 52.905 52.037 0.035 0.000 0.763 360 A CB -0.123 18.857 19.000 -0.033 0.000 1.007 360 A HN 1.378 nan 8.150 nan 0.000 0.506 361 H N -0.488 118.587 119.070 0.008 0.000 2.500 361 H HA 0.522 5.078 4.556 -0.000 0.000 0.351 361 H C -0.253 175.073 175.328 -0.003 0.000 1.281 361 H CA 0.039 56.088 56.048 0.001 0.000 1.368 361 H CB -0.012 29.750 29.762 0.000 0.000 1.616 361 H HN 0.533 nan 8.280 nan 0.000 0.591 362 T N 0.576 115.146 114.554 0.027 0.000 2.863 362 T HA 0.158 4.507 4.350 -0.000 0.000 0.299 362 T C 0.113 174.823 174.700 0.017 0.000 0.973 362 T CA -0.961 61.126 62.100 -0.021 0.000 0.994 362 T CB -0.683 68.193 68.868 0.013 0.000 0.961 362 T HN 0.610 nan 8.240 nan 0.000 0.552 363 N N 2.620 121.255 118.700 -0.109 0.000 2.480 363 N HA 0.177 4.917 4.740 -0.000 0.000 0.289 363 N C -0.253 175.221 175.510 -0.060 0.000 1.073 363 N CA -0.369 52.640 53.050 -0.068 0.000 0.885 363 N CB 2.179 40.617 38.487 -0.082 0.000 1.421 363 N HN 0.358 nan 8.380 nan 0.000 0.503 364 D N 1.736 122.149 120.400 0.022 0.000 2.182 364 D HA -0.195 4.445 4.640 -0.000 0.000 0.193 364 D C 2.000 178.311 176.300 0.018 0.000 0.999 364 D CA 2.877 56.960 54.000 0.138 0.000 0.850 364 D CB 0.072 40.956 40.800 0.140 0.000 0.994 364 D HN 0.483 nan 8.370 nan 0.000 0.450 365 V N -0.069 119.841 119.914 -0.007 0.000 2.252 365 V HA -0.303 3.816 4.120 -0.000 0.000 0.249 365 V C 2.196 178.219 176.094 -0.119 0.000 1.056 365 V CA 2.084 64.422 62.300 0.063 0.000 1.022 365 V CB -0.991 30.945 31.823 0.189 0.000 0.641 365 V HN 0.080 nan 8.190 nan 0.000 0.445 366 K N 0.959 121.049 120.400 -0.516 0.000 2.107 366 K HA -0.273 4.047 4.320 -0.000 0.000 0.211 366 K C 2.139 178.527 176.600 -0.354 0.000 1.049 366 K CA 2.452 58.198 56.287 -0.900 0.000 0.927 366 K CB -0.649 31.297 32.500 -0.924 0.000 0.714 366 K HN 0.758 nan 8.250 nan 0.000 0.452 367 Q N -0.032 119.619 119.800 -0.247 0.000 1.922 367 Q HA -0.060 4.280 4.340 -0.000 0.000 0.201 367 Q C 2.209 178.008 176.000 -0.336 0.000 0.979 367 Q CA 1.336 57.043 55.803 -0.159 0.000 0.841 367 Q CB -0.473 28.254 28.738 -0.018 0.000 0.903 367 Q HN 0.398 nan 8.270 nan 0.000 0.431 368 L N 1.369 122.204 121.223 -0.646 0.000 2.113 368 L HA -0.333 4.007 4.340 -0.000 0.000 0.221 368 L C 2.596 179.256 176.870 -0.351 0.000 1.084 368 L CA 2.150 56.513 54.840 -0.795 0.000 0.787 368 L CB -0.671 41.017 42.059 -0.619 0.000 0.893 368 L HN 0.525 nan 8.230 nan 0.000 0.440 369 T N -3.168 111.359 114.554 -0.045 0.000 2.588 369 T HA -0.253 4.097 4.350 -0.000 0.000 0.261 369 T C 1.570 176.189 174.700 -0.135 0.000 1.069 369 T CA 1.322 63.496 62.100 0.123 0.000 1.172 369 T CB -0.784 68.268 68.868 0.307 0.000 0.863 369 T HN 0.521 nan 8.240 nan 0.000 0.408 370 E N 1.830 121.941 120.200 -0.148 0.000 2.164 370 E HA -0.249 4.101 4.350 -0.000 0.000 0.206 370 E C 2.587 178.943 176.600 -0.407 0.000 1.032 370 E CA 1.368 57.630 56.400 -0.230 0.000 0.832 370 E CB -0.567 29.062 29.700 -0.119 0.000 0.742 370 E HN 0.713 nan 8.360 nan 0.000 0.460 371 A N 1.033 123.582 122.820 -0.452 0.000 1.835 371 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 371 A C 2.558 179.975 177.584 -0.279 0.000 1.199 371 A CA 1.623 53.349 52.037 -0.518 0.000 0.615 371 A CB -1.002 17.803 19.000 -0.326 0.000 0.838 371 A HN 0.143 nan 8.150 nan 0.000 0.444 372 V N 0.428 120.241 119.914 -0.168 0.000 2.428 372 V HA -0.393 3.727 4.120 -0.000 0.000 0.255 372 V C 2.676 178.785 176.094 0.024 0.000 1.080 372 V CA 2.490 64.792 62.300 0.004 0.000 1.083 372 V CB -0.983 30.594 31.823 -0.410 0.000 0.665 372 V HN 0.639 nan 8.190 nan 0.000 0.461 373 Q N -0.912 118.800 119.800 -0.147 0.000 2.008 373 Q HA -0.127 4.213 4.340 -0.000 0.000 0.196 373 Q C 2.485 178.521 176.000 0.060 0.000 0.973 373 Q CA 0.933 56.706 55.803 -0.050 0.000 0.826 373 Q CB -0.261 28.293 28.738 -0.307 0.000 0.894 373 Q HN 0.474 nan 8.270 nan 0.000 0.439 374 K N 1.116 121.450 120.400 -0.109 0.000 2.044 374 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 374 K C 2.137 178.677 176.600 -0.099 0.000 1.049 374 K CA 1.135 57.361 56.287 -0.101 0.000 0.927 374 K CB -0.623 31.741 32.500 -0.227 0.000 0.713 374 K HN 0.249 nan 8.250 nan 0.000 0.443 375 I N 0.872 121.313 120.570 -0.215 0.000 2.113 375 I HA -0.363 3.807 4.170 -0.000 0.000 0.242 375 I C 2.290 178.310 176.117 -0.163 0.000 1.064 375 I CA 1.783 62.855 61.300 -0.379 0.000 1.320 375 I CB -0.618 37.072 38.000 -0.517 0.000 1.028 375 I HN 0.195 nan 8.210 nan 0.000 0.406 376 T N -0.120 114.459 114.554 0.043 0.000 2.770 376 T HA -0.134 4.216 4.350 -0.000 0.000 0.263 376 T C 1.857 176.499 174.700 -0.097 0.000 1.039 376 T CA 1.923 64.027 62.100 0.008 0.000 1.142 376 T CB -0.363 68.557 68.868 0.086 0.000 0.868 376 T HN 0.422 nan 8.240 nan 0.000 0.435 377 T N 2.436 117.021 114.554 0.052 0.000 2.597 377 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 377 T C 1.802 176.478 174.700 -0.041 0.000 1.053 377 T CA 1.636 63.800 62.100 0.108 0.000 1.165 377 T CB -0.487 68.492 68.868 0.184 0.000 0.863 377 T HN 0.536 nan 8.240 nan 0.000 0.427 378 E N 0.761 120.933 120.200 -0.048 0.000 2.013 378 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 378 E C 2.493 179.009 176.600 -0.140 0.000 1.018 378 E CA 1.400 57.745 56.400 -0.092 0.000 0.834 378 E CB -0.448 29.229 29.700 -0.038 0.000 0.770 378 E HN 0.370 nan 8.360 nan 0.000 0.459 379 S N 0.324 115.985 115.700 -0.065 0.000 2.429 379 S HA -0.283 4.186 4.470 -0.000 0.000 0.251 379 S C 1.916 176.504 174.600 -0.020 0.000 1.104 379 S CA 1.771 60.009 58.200 0.064 0.000 1.130 379 S CB -0.422 62.773 63.200 -0.009 0.000 1.000 379 S HN 0.231 nan 8.310 nan 0.000 0.449 380 I N 0.810 121.274 120.570 -0.176 0.000 2.110 380 I HA -0.112 4.058 4.170 -0.000 0.000 0.236 380 I C 1.982 177.950 176.117 -0.248 0.000 1.068 380 I CA 1.255 62.404 61.300 -0.253 0.000 1.333 380 I CB -0.460 37.341 38.000 -0.331 0.000 1.054 380 I HN 0.167 nan 8.210 nan 0.000 0.402 381 V N 1.192 120.913 119.914 -0.321 0.000 3.398 381 V HA -0.169 3.951 4.120 -0.000 0.000 0.275 381 V C 1.450 177.278 176.094 -0.442 0.000 1.207 381 V CA 1.403 63.443 62.300 -0.433 0.000 1.189 381 V CB -1.027 30.501 31.823 -0.492 0.000 0.838 381 V HN 0.422 nan 8.190 nan 0.000 0.546 382 I N -2.316 117.957 120.570 -0.494 0.000 4.442 382 I HA 0.171 4.340 4.170 -0.000 0.000 0.331 382 I C 0.781 176.206 176.117 -1.153 0.000 1.364 382 I CA 0.247 61.039 61.300 -0.846 0.000 1.207 382 I CB 0.920 38.290 38.000 -1.050 0.000 1.298 382 I HN 0.335 nan 8.210 nan 0.000 0.463 383 W N 0.258 121.335 121.300 -0.371 0.000 0.715 383 W HA 0.190 4.849 4.660 -0.000 0.000 0.144 383 W C 1.319 177.721 176.519 -0.195 0.000 0.632 383 W CA 0.322 57.424 57.345 -0.405 0.000 0.476 383 W CB -0.411 28.698 29.460 -0.585 0.000 0.722 383 W HN 0.101 nan 8.180 nan 0.000 0.376 384 G N 2.492 111.255 108.800 -0.061 0.000 2.269 384 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.277 384 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.277 384 G C 0.251 175.096 174.900 -0.091 0.000 1.008 384 G CA 1.501 46.586 45.100 -0.025 0.000 0.774 384 G HN 0.247 nan 8.290 nan 0.000 0.511 385 K N -1.298 119.029 120.400 -0.121 0.000 2.430 385 K HA 0.742 5.061 4.320 -0.000 0.000 0.268 385 K C -0.268 176.224 176.600 -0.180 0.000 1.043 385 K CA -0.361 55.861 56.287 -0.108 0.000 0.899 385 K CB 1.568 34.095 32.500 0.045 0.000 1.472 385 K HN 0.247 nan 8.250 nan 0.000 0.451 386 T N -0.538 113.952 114.554 -0.106 0.000 2.863 386 T HA 0.534 4.884 4.350 -0.000 0.000 0.285 386 T C -2.752 171.915 174.700 -0.054 0.000 1.009 386 T CA -2.019 60.027 62.100 -0.090 0.000 0.989 386 T CB 1.683 70.525 68.868 -0.044 0.000 1.004 386 T HN 0.271 nan 8.240 nan 0.000 0.455 387 P HA 0.309 nan 4.420 nan 0.000 0.286 387 P C -0.771 176.510 177.300 -0.032 0.000 1.261 387 P CA -0.772 62.209 63.100 -0.199 0.000 0.821 387 P CB 1.117 32.556 31.700 -0.436 0.000 1.013 388 K N 3.945 124.306 120.400 -0.065 0.000 2.111 388 K HA 0.149 4.469 4.320 -0.000 0.000 0.249 388 K C -0.478 176.183 176.600 0.102 0.000 1.157 388 K CA -0.552 55.778 56.287 0.071 0.000 1.048 388 K CB -0.965 31.528 32.500 -0.011 0.000 1.498 388 K HN 0.241 nan 8.250 nan 0.000 0.344 389 F N 1.893 121.807 119.950 -0.060 0.000 2.642 389 F HA -0.092 4.435 4.527 -0.000 0.000 0.371 389 F C 1.327 177.067 175.800 -0.100 0.000 1.120 389 F CA 0.563 58.511 58.000 -0.087 0.000 1.331 389 F CB 0.208 39.163 39.000 -0.074 0.000 1.044 389 F HN 0.166 nan 8.300 nan 0.000 0.594 390 K N 4.619 125.057 120.400 0.063 0.000 2.655 390 K HA 0.301 4.620 4.320 -0.000 0.000 0.213 390 K C -0.501 176.107 176.600 0.013 0.000 1.126 390 K CA -0.324 55.970 56.287 0.012 0.000 1.076 390 K CB 0.217 32.724 32.500 0.013 0.000 1.644 390 K HN 0.489 nan 8.250 nan 0.000 0.523 391 L N 2.493 123.691 121.223 -0.042 0.000 2.554 391 L HA -0.046 4.294 4.340 -0.000 0.000 0.293 391 L C -1.275 175.607 176.870 0.021 0.000 1.252 391 L CA -0.543 54.248 54.840 -0.081 0.000 0.862 391 L CB -0.082 41.786 42.059 -0.319 0.000 1.113 391 L HN 0.216 nan 8.230 nan 0.000 0.510 392 P HA 0.252 nan 4.420 nan 0.000 0.248 392 P C -0.251 177.089 177.300 0.066 0.000 1.708 392 P CA 0.336 63.483 63.100 0.078 0.000 1.062 392 P CB 0.551 32.334 31.700 0.139 0.000 1.562 393 I N -0.726 119.853 120.570 0.015 0.000 3.206 393 I HA 0.422 4.592 4.170 -0.000 0.000 0.313 393 I C -0.848 175.223 176.117 -0.075 0.000 1.103 393 I CA -1.420 59.874 61.300 -0.010 0.000 0.985 393 I CB 2.705 40.684 38.000 -0.034 0.000 1.240 393 I HN -0.346 nan 8.210 nan 0.000 0.464 394 Q N 3.142 122.899 119.800 -0.073 0.000 2.294 394 Q HA 0.151 4.491 4.340 -0.000 0.000 0.257 394 Q C 0.707 176.509 176.000 -0.330 0.000 0.955 394 Q CA 0.291 56.022 55.803 -0.121 0.000 0.936 394 Q CB 1.418 30.146 28.738 -0.016 0.000 1.188 394 Q HN 0.491 nan 8.270 nan 0.000 0.420 395 K N 2.718 122.788 120.400 -0.550 0.000 1.987 395 K HA -0.397 3.923 4.320 -0.000 0.000 0.232 395 K C 0.848 177.239 176.600 -0.348 0.000 1.034 395 K CA 2.578 58.365 56.287 -0.833 0.000 1.013 395 K CB 0.066 32.468 32.500 -0.165 0.000 0.736 395 K HN 0.686 nan 8.250 nan 0.000 0.446 396 E N -0.078 120.049 120.200 -0.121 0.000 2.136 396 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 396 E C 2.017 178.612 176.600 -0.009 0.000 1.019 396 E CA 2.308 58.679 56.400 -0.048 0.000 0.819 396 E CB -0.611 29.082 29.700 -0.012 0.000 0.739 396 E HN 0.508 nan 8.360 nan 0.000 0.458 397 T N 0.145 114.741 114.554 0.071 0.000 2.674 397 T HA -0.180 4.169 4.350 -0.000 0.000 0.265 397 T C 1.332 176.232 174.700 0.333 0.000 1.039 397 T CA 1.191 63.471 62.100 0.299 0.000 1.150 397 T CB -0.555 68.462 68.868 0.248 0.000 0.864 397 T HN 0.399 nan 8.240 nan 0.000 0.427 398 W N 2.269 123.527 121.300 -0.070 0.000 2.304 398 W HA -0.200 4.460 4.660 -0.000 0.000 0.328 398 W C 2.026 178.652 176.519 0.179 0.000 1.242 398 W CA 1.557 58.863 57.345 -0.066 0.000 1.243 398 W CB -0.304 28.864 29.460 -0.488 0.000 1.170 398 W HN 0.361 nan 8.180 nan 0.000 0.460 399 E N -0.479 119.750 120.200 0.048 0.000 2.352 399 E HA -0.238 4.112 4.350 -0.000 0.000 0.203 399 E C 1.885 178.321 176.600 -0.274 0.000 1.024 399 E CA 1.828 58.240 56.400 0.020 0.000 0.842 399 E CB -0.259 29.457 29.700 0.027 0.000 0.753 399 E HN 0.322 nan 8.360 nan 0.000 0.508 400 T N -0.649 113.733 114.554 -0.286 0.000 2.866 400 T HA -0.043 4.307 4.350 -0.000 0.000 0.250 400 T C 1.267 175.533 174.700 -0.723 0.000 1.033 400 T CA 0.608 62.330 62.100 -0.630 0.000 1.145 400 T CB -0.013 68.265 68.868 -0.984 0.000 0.866 400 T HN 0.352 nan 8.240 nan 0.000 0.434 401 W N 0.809 121.963 121.300 -0.243 0.000 2.907 401 W HA 0.168 4.828 4.660 0.000 0.000 0.271 401 W C 2.211 178.522 176.519 -0.348 0.000 1.253 401 W CA -0.642 56.549 57.345 -0.257 0.000 1.501 401 W CB -0.550 28.921 29.460 0.018 0.000 1.047 401 W HN 0.409 nan 8.180 nan 0.000 0.610 402 W N 2.836 123.914 121.300 -0.370 0.000 2.283 402 W HA -0.395 4.265 4.660 -0.000 0.000 0.335 402 W C 1.837 178.187 176.519 -0.281 0.000 1.313 402 W CA 2.877 59.869 57.345 -0.588 0.000 1.263 402 W CB -1.748 26.664 29.460 -1.747 0.000 1.141 402 W HN -0.140 nan 8.180 nan 0.000 0.468 403 T N -0.667 113.156 114.554 -1.219 0.000 2.718 403 T HA -0.356 3.994 4.350 -0.000 0.000 0.266 403 T C 1.557 175.962 174.700 -0.492 0.000 1.033 403 T CA 2.108 63.432 62.100 -1.292 0.000 1.151 403 T CB -0.827 66.984 68.868 -1.763 0.000 0.853 403 T HN 0.204 nan 8.240 nan 0.000 0.466 404 E N 0.874 120.761 120.200 -0.522 0.000 2.118 404 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 404 E C 1.643 177.972 176.600 -0.451 0.000 0.992 404 E CA 1.325 57.397 56.400 -0.547 0.000 0.804 404 E CB -0.237 28.953 29.700 -0.849 0.000 0.741 404 E HN 0.868 nan 8.360 nan 0.000 0.458 405 Y N -2.164 118.207 120.300 0.118 0.000 2.458 405 Y HA 0.088 4.638 4.550 -0.000 0.000 0.254 405 Y C 1.215 177.246 175.900 0.220 0.000 1.120 405 Y CA -0.778 57.413 58.100 0.152 0.000 1.282 405 Y CB -0.158 38.383 38.460 0.134 0.000 1.109 405 Y HN 0.021 nan 8.280 nan 0.000 0.526 406 W N 2.612 124.057 121.300 0.241 0.000 2.073 406 W HA 0.071 4.731 4.660 0.000 0.000 0.358 406 W C 0.100 176.682 176.519 0.106 0.000 1.321 406 W CA 0.950 58.440 57.345 0.241 0.000 1.317 406 W CB 0.719 30.438 29.460 0.432 0.000 1.226 406 W HN 0.195 nan 8.180 nan 0.000 0.622 407 Q N 1.191 121.087 119.800 0.159 0.000 1.752 407 Q HA 0.187 4.527 4.340 -0.000 0.000 0.169 407 Q C -0.234 175.729 176.000 -0.062 0.000 0.747 407 Q CA -0.178 55.673 55.803 0.080 0.000 0.814 407 Q CB 0.596 29.294 28.738 -0.066 0.000 1.218 407 Q HN 0.340 nan 8.270 nan 0.000 0.384 408 A N 1.128 123.783 122.820 -0.275 0.000 2.309 408 A HA 0.332 4.652 4.320 -0.000 0.000 0.290 408 A C 1.225 178.632 177.584 -0.295 0.000 1.206 408 A CA 0.164 51.798 52.037 -0.672 0.000 0.850 408 A CB 0.203 18.055 19.000 -1.914 0.000 1.118 408 A HN 0.306 nan 8.150 nan 0.000 0.523 409 T N 0.712 115.023 114.554 -0.406 0.000 3.093 409 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 409 T C 0.459 175.118 174.700 -0.067 0.000 1.170 409 T CA 0.964 62.948 62.100 -0.193 0.000 1.072 409 T CB -0.794 67.982 68.868 -0.153 0.000 0.863 409 T HN 0.712 nan 8.240 nan 0.000 0.562 410 W N -0.627 120.837 121.300 0.274 0.000 3.021 410 W HA 0.748 5.408 4.660 -0.000 0.000 0.337 410 W C -1.085 175.657 176.519 0.373 0.000 1.171 410 W CA -1.951 55.531 57.345 0.228 0.000 1.060 410 W CB 0.886 30.472 29.460 0.210 0.000 1.472 410 W HN -0.128 nan 8.180 nan 0.000 0.594 411 I N 2.609 123.578 120.570 0.665 0.000 2.599 411 I HA 0.142 4.312 4.170 -0.000 0.000 0.285 411 I C -2.313 173.956 176.117 0.254 0.000 1.168 411 I CA -1.940 59.597 61.300 0.396 0.000 1.060 411 I CB 2.481 40.416 38.000 -0.108 0.000 1.249 411 I HN -0.081 nan 8.210 nan 0.000 0.442 412 P HA 0.161 nan 4.420 nan 0.000 0.274 412 P C -0.231 177.018 177.300 -0.086 0.000 1.237 412 P CA -0.179 63.025 63.100 0.173 0.000 0.793 412 P CB 1.165 33.043 31.700 0.297 0.000 0.977 413 E N 0.444 120.627 120.200 -0.029 0.000 2.470 413 E HA 0.147 4.497 4.350 -0.000 0.000 0.258 413 E C -0.458 176.121 176.600 -0.036 0.000 1.295 413 E CA 0.982 57.304 56.400 -0.129 0.000 1.032 413 E CB 0.160 29.855 29.700 -0.008 0.000 0.980 413 E HN 0.581 nan 8.360 nan 0.000 0.500 414 W N -0.571 120.680 121.300 -0.083 0.000 3.739 414 W HA 0.261 4.920 4.660 -0.000 0.000 0.282 414 W C -1.615 174.645 176.519 -0.431 0.000 1.202 414 W CA -0.845 56.369 57.345 -0.219 0.000 1.163 414 W CB -0.863 28.404 29.460 -0.322 0.000 1.289 414 W HN 0.495 nan 8.180 nan 0.000 0.571 415 E N 1.411 121.512 120.200 -0.165 0.000 2.392 415 E HA 0.829 5.179 4.350 -0.000 0.000 0.269 415 E C -1.638 174.615 176.600 -0.578 0.000 0.924 415 E CA -1.151 54.999 56.400 -0.416 0.000 0.784 415 E CB 2.516 32.135 29.700 -0.135 0.000 1.292 415 E HN 0.176 nan 8.360 nan 0.000 0.447 416 F N 0.771 120.727 119.950 0.010 0.000 2.444 416 F HA 0.576 5.103 4.527 -0.000 0.000 0.342 416 F C -0.167 175.635 175.800 0.004 0.000 1.121 416 F CA -1.007 56.967 58.000 -0.044 0.000 0.997 416 F CB 1.866 40.847 39.000 -0.033 0.000 1.130 416 F HN 0.321 nan 8.300 nan 0.000 0.454 417 V N 2.913 122.929 119.914 0.170 0.000 3.102 417 V HA 0.688 4.808 4.120 -0.000 0.000 0.312 417 V C -1.635 174.522 176.094 0.105 0.000 1.135 417 V CA -0.624 61.747 62.300 0.119 0.000 1.022 417 V CB 2.551 34.425 31.823 0.086 0.000 1.056 417 V HN 0.801 nan 8.190 nan 0.000 0.436 418 N N 1.813 120.567 118.700 0.090 0.000 2.549 418 N HA 0.659 5.399 4.740 -0.000 0.000 0.281 418 N C -1.340 174.211 175.510 0.068 0.000 1.084 418 N CA 0.198 53.294 53.050 0.077 0.000 0.862 418 N CB 1.843 40.373 38.487 0.072 0.000 1.333 418 N HN 0.904 nan 8.380 nan 0.000 0.523 419 T N 1.345 115.937 114.554 0.063 0.000 3.335 419 T HA 0.477 4.827 4.350 -0.000 0.000 0.321 419 T C -2.546 172.178 174.700 0.039 0.000 0.960 419 T CA -1.098 61.034 62.100 0.053 0.000 1.034 419 T CB 1.171 70.076 68.868 0.062 0.000 1.040 419 T HN 0.354 nan 8.240 nan 0.000 0.454 420 P HA 0.333 nan 4.420 nan 0.000 0.271 420 P C -2.561 174.726 177.300 -0.021 0.000 1.233 420 P CA -1.077 62.025 63.100 0.003 0.000 0.789 420 P CB -0.117 31.581 31.700 -0.003 0.000 0.951 421 P HA 0.243 nan 4.420 nan 0.000 0.245 421 P C 0.130 177.353 177.300 -0.128 0.000 1.740 421 P CA -0.357 62.703 63.100 -0.067 0.000 1.125 421 P CB 0.435 32.115 31.700 -0.033 0.000 1.747 422 L N 3.135 124.246 121.223 -0.187 0.000 2.341 422 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 422 L C 1.872 178.576 176.870 -0.278 0.000 1.115 422 L CA 0.960 55.683 54.840 -0.195 0.000 0.820 422 L CB -0.506 41.456 42.059 -0.162 0.000 0.944 422 L HN 0.204 nan 8.230 nan 0.000 0.452 423 V N -4.330 115.308 119.914 -0.460 0.000 3.110 423 V HA 0.297 4.417 4.120 -0.000 0.000 0.368 423 V C 0.914 176.705 176.094 -0.505 0.000 1.332 423 V CA -0.664 61.281 62.300 -0.591 0.000 1.287 423 V CB -0.466 30.688 31.823 -1.114 0.000 1.277 423 V HN 0.267 nan 8.190 nan 0.000 0.502 424 K N 1.122 121.343 120.400 -0.298 0.000 2.914 424 K HA -0.227 4.093 4.320 -0.000 0.000 0.253 424 K C 0.248 176.744 176.600 -0.174 0.000 0.986 424 K CA 0.970 57.142 56.287 -0.193 0.000 0.730 424 K CB -1.564 30.843 32.500 -0.155 0.000 1.228 424 K HN 0.895 nan 8.250 nan 0.000 0.483 425 L N -1.389 119.711 121.223 -0.205 0.000 3.052 425 L HA -0.268 4.072 4.340 -0.000 0.000 0.540 425 L C 1.782 178.585 176.870 -0.111 0.000 1.001 425 L CA 0.671 55.522 54.840 0.017 0.000 1.287 425 L CB -0.586 41.612 42.059 0.232 0.000 1.312 425 L HN 0.337 nan 8.230 nan 0.000 0.637 426 W N 1.854 122.809 121.300 -0.574 0.000 2.359 426 W HA -0.209 4.450 4.660 -0.000 0.000 0.275 426 W C 1.629 177.764 176.519 -0.640 0.000 1.217 426 W CA 1.349 58.300 57.345 -0.656 0.000 1.196 426 W CB -0.501 28.441 29.460 -0.863 0.000 1.129 426 W HN 0.705 nan 8.180 nan 0.000 0.566 427 Y N -0.400 120.060 120.300 0.266 0.000 2.478 427 Y HA 0.129 4.678 4.550 -0.000 0.000 0.261 427 Y C 1.388 177.314 175.900 0.043 0.000 1.127 427 Y CA -0.143 58.026 58.100 0.115 0.000 1.288 427 Y CB -1.013 37.497 38.460 0.083 0.000 1.084 427 Y HN -0.133 nan 8.280 nan 0.000 0.530 428 Q N 2.202 122.070 119.800 0.113 0.000 2.264 428 Q HA 0.148 4.488 4.340 -0.000 0.000 0.296 428 Q C -0.495 175.513 176.000 0.014 0.000 1.103 428 Q CA -0.032 55.797 55.803 0.044 0.000 0.967 428 Q CB 0.044 28.779 28.738 -0.006 0.000 1.090 428 Q HN 0.288 nan 8.270 nan 0.000 0.379 429 L N 0.000 121.224 121.223 0.002 0.000 2.949 429 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 429 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 429 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502