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 3fdd_1_A DATA FIRST_RESID 27 DATA SEQUENCE DGNRLMLNAG RGNPNFLATT PRRAFFRLGL FAAAESELSY SYMNTVGVGG DATA SEQUENCE LAKIEGIEGR FERYIAENRD QEGVRFLGKS LSYVRDQLGL DPAAFLHEMV DATA SEQUENCE DGILGCNYPV PPRMLNISEK IVRQYIIREM GADAIPSESV NLFAVEGGTA DATA SEQUENCE AMAYIFESMK VNGLLKAGDK VAIGMPVFTP YIEIPELAQY ALEEVAINAD DATA SEQUENCE PALNWQYPDS ELDKLKDPAI KIFFCVNPSN PPSVKMDERS LERVRKIVAE DATA SEQUENCE HRPDLMILTD DVYGTFADGF QSLFAICPAN TLLVYSFSKY FGATGWRLGV DATA SEQUENCE VAAHKENIFD LALGRLPESE KTALDDRYRS LLPDVRSLKF LDRLVADSRA DATA SEQUENCE VALNHTAGLS TPQQVQMTLF SLFALMDESD QYKHTLKQLI RRREATLYRE DATA SEQUENCE LGTPPQRDEN AVDYYTLIDL QDVTSKLYGE AFSKWAVKQS STGDMLFRIA DATA SEQUENCE DETGIVLLPG RGFGSDRPSG RASLANLNEY EYAAIGRALR QMADELYAQY DATA SEQUENCE TQ 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.026 0.000 2.045 27 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 G N 0.938 109.718 108.800 -0.034 0.000 2.402 28 G HA2 -0.210 3.750 3.960 0.001 0.000 0.216 28 G HA3 -0.210 3.750 3.960 0.001 0.000 0.216 28 G C 1.360 176.239 174.900 -0.036 0.000 1.162 28 G CA 0.817 45.894 45.100 -0.037 0.000 0.777 28 G HN 0.171 nan 8.290 nan 0.000 0.539 29 N N 0.459 119.132 118.700 -0.045 0.000 2.216 29 N HA -0.039 4.701 4.740 0.001 0.000 0.183 29 N C 2.328 177.813 175.510 -0.041 0.000 1.017 29 N CA 0.496 53.516 53.050 -0.050 0.000 0.861 29 N CB -0.093 38.357 38.487 -0.061 0.000 0.986 29 N HN 0.272 nan 8.380 nan 0.000 0.428 30 R N 0.532 121.012 120.500 -0.034 0.000 2.148 30 R HA 0.018 4.359 4.340 0.001 0.000 0.223 30 R C 2.059 178.346 176.300 -0.021 0.000 1.088 30 R CA 0.364 56.447 56.100 -0.029 0.000 0.985 30 R CB -0.122 30.162 30.300 -0.025 0.000 0.880 30 R HN 0.095 nan 8.270 nan 0.000 0.451 31 L N 0.412 121.627 121.223 -0.013 0.000 2.109 31 L HA -0.043 4.298 4.340 0.001 0.000 0.207 31 L C 1.969 178.847 176.870 0.014 0.000 1.086 31 L CA 1.581 56.422 54.840 0.002 0.000 0.760 31 L CB -0.072 41.993 42.059 0.011 0.000 0.910 31 L HN 0.124 nan 8.230 nan 0.000 0.437 32 M N -1.460 118.146 119.600 0.011 0.000 2.132 32 M HA -0.179 4.302 4.480 0.001 0.000 0.263 32 M C 2.251 178.544 176.300 -0.013 0.000 1.065 32 M CA 1.649 56.959 55.300 0.016 0.000 1.122 32 M CB -0.569 32.040 32.600 0.014 0.000 1.365 32 M HN 0.279 nan 8.290 nan 0.000 0.411 33 L N 0.223 121.428 121.223 -0.030 0.000 2.056 33 L HA -0.207 4.134 4.340 0.001 0.000 0.207 33 L C 2.217 179.060 176.870 -0.045 0.000 1.078 33 L CA 0.964 55.778 54.840 -0.043 0.000 0.749 33 L CB -0.583 41.447 42.059 -0.049 0.000 0.901 33 L HN 0.347 nan 8.230 nan 0.000 0.433 34 N N -0.382 118.295 118.700 -0.038 0.000 2.278 34 N HA 0.014 4.755 4.740 0.001 0.000 0.181 34 N C 1.476 176.945 175.510 -0.068 0.000 1.023 34 N CA 1.434 54.455 53.050 -0.047 0.000 0.862 34 N CB 0.055 38.521 38.487 -0.035 0.000 1.003 34 N HN 0.247 nan 8.380 nan 0.000 0.431 35 A N -0.632 122.163 122.820 -0.042 0.000 2.469 35 A HA 0.514 4.834 4.320 0.001 0.000 0.245 35 A C 1.100 178.715 177.584 0.051 0.000 1.221 35 A CA 0.491 52.500 52.037 -0.047 0.000 0.946 35 A CB 0.084 19.087 19.000 0.006 0.000 1.049 35 A HN 0.238 nan 8.150 nan 0.000 0.529 36 G N -0.079 108.766 108.800 0.075 0.000 2.221 36 G HA2 -0.244 3.717 3.960 0.001 0.000 0.265 36 G HA3 -0.244 3.717 3.960 0.001 0.000 0.265 36 G C 0.024 175.049 174.900 0.208 0.000 1.041 36 G CA 0.604 45.810 45.100 0.177 0.000 0.807 36 G HN 0.657 nan 8.290 nan 0.000 0.502 37 R N -1.824 118.775 120.500 0.165 0.000 2.744 37 R HA 0.692 5.032 4.340 0.001 0.000 0.279 37 R C 1.032 177.427 176.300 0.159 0.000 0.977 37 R CA 0.247 56.459 56.100 0.187 0.000 0.906 37 R CB 2.001 32.384 30.300 0.138 0.000 1.197 37 R HN 1.061 nan 8.270 nan 0.000 0.463 38 G N 1.228 110.145 108.800 0.195 0.000 2.545 38 G HA2 -0.254 3.707 3.960 0.001 0.000 0.195 38 G HA3 -0.254 3.707 3.960 0.001 0.000 0.195 38 G C -0.152 174.843 174.900 0.158 0.000 1.009 38 G CA -0.421 44.847 45.100 0.280 0.000 0.703 38 G HN 0.564 nan 8.290 nan 0.000 0.479 39 N N 3.192 121.928 118.700 0.059 0.000 2.386 39 N HA 0.396 5.137 4.740 0.001 0.000 0.273 39 N C -2.198 173.241 175.510 -0.118 0.000 1.331 39 N CA -0.383 52.657 53.050 -0.017 0.000 0.891 39 N CB 0.828 39.301 38.487 -0.023 0.000 1.139 39 N HN 0.204 nan 8.380 nan 0.000 0.487 40 P HA 0.088 nan 4.420 nan 0.000 0.272 40 P C -0.471 176.553 177.300 -0.460 0.000 1.223 40 P CA -0.253 62.490 63.100 -0.595 0.000 0.784 40 P CB 0.572 31.566 31.700 -1.177 0.000 0.923 41 N N 0.867 119.315 118.700 -0.420 0.000 2.235 41 N HA 0.071 4.811 4.740 0.001 0.000 0.209 41 N C -0.408 175.066 175.510 -0.059 0.000 1.122 41 N CA -0.256 52.691 53.050 -0.171 0.000 0.845 41 N CB -0.570 37.876 38.487 -0.069 0.000 1.004 41 N HN 0.302 nan 8.380 nan 0.000 0.499 42 F N 0.216 120.192 119.950 0.044 0.000 2.523 42 F HA 0.855 5.382 4.527 0.000 0.000 0.329 42 F C -0.698 175.160 175.800 0.096 0.000 1.061 42 F CA -1.934 56.103 58.000 0.061 0.000 0.967 42 F CB 0.892 39.915 39.000 0.039 0.000 1.218 42 F HN -0.109 nan 8.300 nan 0.000 0.480 43 L N -0.261 121.213 121.223 0.418 0.000 2.506 43 L HA 0.894 5.235 4.340 0.001 0.000 0.257 43 L C -0.898 176.168 176.870 0.326 0.000 0.964 43 L CA -1.587 53.456 54.840 0.339 0.000 0.836 43 L CB 1.379 43.563 42.059 0.208 0.000 1.384 43 L HN 1.001 nan 8.230 nan 0.000 0.410 44 A N 0.801 123.781 122.820 0.267 0.000 2.438 44 A HA 0.512 4.832 4.320 0.001 0.000 0.280 44 A C 1.084 178.649 177.584 -0.031 0.000 1.160 44 A CA 0.372 52.450 52.037 0.069 0.000 0.821 44 A CB -0.255 18.659 19.000 -0.143 0.000 1.101 44 A HN 1.038 nan 8.150 nan 0.000 0.515 45 T N -0.022 114.484 114.554 -0.080 0.000 2.939 45 T HA -0.078 4.272 4.350 0.001 0.000 0.254 45 T C 1.714 176.271 174.700 -0.237 0.000 1.041 45 T CA 1.566 63.624 62.100 -0.070 0.000 1.142 45 T CB -0.541 68.336 68.868 0.015 0.000 0.874 45 T HN 0.459 nan 8.240 nan 0.000 0.452 46 T N 3.383 117.675 114.554 -0.438 0.000 2.652 46 T HA -0.019 4.331 4.350 0.001 0.000 0.267 46 T C -0.443 173.751 174.700 -0.842 0.000 1.039 46 T CA 1.593 63.363 62.100 -0.550 0.000 1.153 46 T CB -1.323 67.246 68.868 -0.498 0.000 0.863 46 T HN 0.434 nan 8.240 nan 0.000 0.428 47 P HA -0.004 nan 4.420 nan 0.000 0.223 47 P C 1.289 178.149 177.300 -0.734 0.000 1.151 47 P CA 1.036 63.481 63.100 -1.091 0.000 0.787 47 P CB -0.040 31.094 31.700 -0.943 0.000 0.788 48 R N -0.054 120.119 120.500 -0.545 0.000 2.073 48 R HA 0.048 4.388 4.340 0.001 0.000 0.229 48 R C 2.687 178.773 176.300 -0.357 0.000 1.120 48 R CA 1.001 56.817 56.100 -0.474 0.000 0.967 48 R CB -0.315 29.888 30.300 -0.162 0.000 0.862 48 R HN 0.136 nan 8.270 nan 0.000 0.436 49 R N 0.264 120.689 120.500 -0.125 0.000 2.096 49 R HA -0.063 4.277 4.340 0.001 0.000 0.235 49 R C 2.277 178.595 176.300 0.030 0.000 1.127 49 R CA 1.317 57.459 56.100 0.070 0.000 0.968 49 R CB -0.296 30.033 30.300 0.048 0.000 0.861 49 R HN 0.195 nan 8.270 nan 0.000 0.440 50 A N 0.727 123.487 122.820 -0.099 0.000 1.933 50 A HA -0.194 4.127 4.320 0.001 0.000 0.218 50 A C 1.932 179.531 177.584 0.026 0.000 1.175 50 A CA 1.057 53.110 52.037 0.027 0.000 0.628 50 A CB -0.592 18.455 19.000 0.078 0.000 0.814 50 A HN 0.371 nan 8.150 nan 0.000 0.444 51 F N -0.155 119.610 119.950 -0.308 0.000 2.075 51 F HA -0.167 4.360 4.527 0.001 0.000 0.297 51 F C 1.887 177.566 175.800 -0.202 0.000 1.113 51 F CA 1.944 59.722 58.000 -0.371 0.000 1.218 51 F CB -0.313 38.273 39.000 -0.690 0.000 0.984 51 F HN 0.216 nan 8.300 nan 0.000 0.472 52 F N 0.592 120.670 119.950 0.213 0.000 2.171 52 F HA -0.117 4.410 4.527 0.000 0.000 0.300 52 F C 2.437 178.267 175.800 0.051 0.000 1.090 52 F CA 1.008 59.082 58.000 0.123 0.000 1.293 52 F CB -1.065 38.035 39.000 0.167 0.000 1.013 52 F HN -0.120 nan 8.300 nan 0.000 0.486 53 R N 0.084 120.733 120.500 0.247 0.000 2.075 53 R HA -0.092 4.248 4.340 0.001 0.000 0.232 53 R C 2.259 178.690 176.300 0.219 0.000 1.126 53 R CA 0.773 57.031 56.100 0.262 0.000 0.963 53 R CB -1.352 29.105 30.300 0.262 0.000 0.858 53 R HN 0.307 nan 8.270 nan 0.000 0.435 54 L N 0.658 121.942 121.223 0.102 0.000 2.083 54 L HA -0.027 4.313 4.340 0.001 0.000 0.209 54 L C 2.056 178.890 176.870 -0.061 0.000 1.083 54 L CA 2.135 56.996 54.840 0.034 0.000 0.752 54 L CB -1.006 41.015 42.059 -0.064 0.000 0.899 54 L HN 0.210 nan 8.230 nan 0.000 0.433 55 G N -0.384 108.329 108.800 -0.145 0.000 2.418 55 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 55 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 55 G C 1.580 176.435 174.900 -0.076 0.000 1.158 55 G CA 1.092 46.099 45.100 -0.155 0.000 0.771 55 G HN 0.447 nan 8.290 nan 0.000 0.545 56 L N -0.765 120.458 121.223 0.000 0.000 2.083 56 L HA 0.000 4.341 4.340 0.001 0.000 0.209 56 L C 2.552 179.359 176.870 -0.106 0.000 1.083 56 L CA 0.977 55.818 54.840 0.001 0.000 0.752 56 L CB -0.457 41.670 42.059 0.114 0.000 0.899 56 L HN 0.233 nan 8.230 nan 0.000 0.433 57 F N 1.055 120.750 119.950 -0.425 0.000 2.102 57 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 57 F C 2.446 178.063 175.800 -0.306 0.000 1.105 57 F CA 1.259 58.880 58.000 -0.632 0.000 1.239 57 F CB -0.394 38.039 39.000 -0.945 0.000 0.991 57 F HN -0.013 nan 8.300 nan 0.000 0.474 58 A N 0.538 123.145 122.820 -0.355 0.000 1.902 58 A HA -0.059 4.262 4.320 0.001 0.000 0.217 58 A C 2.447 179.843 177.584 -0.313 0.000 1.181 58 A CA 1.862 53.673 52.037 -0.378 0.000 0.623 58 A CB -1.617 17.241 19.000 -0.235 0.000 0.818 58 A HN 0.544 nan 8.150 nan 0.000 0.443 59 A N -0.026 122.659 122.820 -0.224 0.000 1.883 59 A HA 0.077 4.397 4.320 0.001 0.000 0.217 59 A C 2.513 179.991 177.584 -0.177 0.000 1.186 59 A CA 2.343 54.282 52.037 -0.163 0.000 0.624 59 A CB -1.071 17.866 19.000 -0.106 0.000 0.822 59 A HN 1.130 nan 8.150 nan 0.000 0.444 60 A N -0.781 121.908 122.820 -0.219 0.000 1.933 60 A HA -0.127 4.194 4.320 0.001 0.000 0.218 60 A C 1.944 179.380 177.584 -0.247 0.000 1.175 60 A CA 1.625 53.543 52.037 -0.198 0.000 0.628 60 A CB -0.388 18.507 19.000 -0.175 0.000 0.814 60 A HN 0.479 nan 8.150 nan 0.000 0.444 61 E N -0.182 119.776 120.200 -0.403 0.000 2.077 61 E HA -0.144 4.207 4.350 0.001 0.000 0.193 61 E C 2.343 178.832 176.600 -0.185 0.000 0.989 61 E CA 1.302 57.489 56.400 -0.355 0.000 0.800 61 E CB -0.541 28.863 29.700 -0.492 0.000 0.746 61 E HN 0.579 nan 8.360 nan 0.000 0.452 62 S N 0.712 116.312 115.700 -0.167 0.000 2.368 62 S HA -0.182 4.289 4.470 0.001 0.000 0.225 62 S C 1.768 176.345 174.600 -0.038 0.000 1.030 62 S CA 1.378 59.524 58.200 -0.091 0.000 0.999 62 S CB -0.033 63.108 63.200 -0.099 0.000 0.844 62 S HN 0.214 nan 8.310 nan 0.000 0.459 63 E N 0.489 120.656 120.200 -0.055 0.000 2.204 63 E HA 0.003 4.354 4.350 0.001 0.000 0.194 63 E C 1.939 178.556 176.600 0.029 0.000 0.989 63 E CA 0.813 57.211 56.400 -0.005 0.000 0.824 63 E CB -0.187 29.493 29.700 -0.033 0.000 0.756 63 E HN 0.493 nan 8.360 nan 0.000 0.477 64 L N 0.297 121.510 121.223 -0.017 0.000 2.275 64 L HA -0.105 4.235 4.340 0.001 0.000 0.215 64 L C 1.658 178.527 176.870 -0.001 0.000 1.119 64 L CA 0.674 55.505 54.840 -0.014 0.000 0.790 64 L CB 0.074 42.108 42.059 -0.042 0.000 0.919 64 L HN 0.021 nan 8.230 nan 0.000 0.443 65 S N -2.008 113.703 115.700 0.019 0.000 2.557 65 S HA 0.073 4.543 4.470 0.001 0.000 0.223 65 S C -0.013 174.624 174.600 0.061 0.000 0.969 65 S CA -0.363 57.849 58.200 0.020 0.000 0.927 65 S CB -0.035 63.179 63.200 0.022 0.000 0.806 65 S HN 0.207 nan 8.310 nan 0.000 0.489 66 Y N 1.891 122.171 120.300 -0.035 0.000 2.327 66 Y HA 0.353 4.903 4.550 0.000 0.000 0.336 66 Y C 1.017 176.877 175.900 -0.066 0.000 1.035 66 Y CA -0.505 57.589 58.100 -0.011 0.000 1.165 66 Y CB 0.946 39.416 38.460 0.017 0.000 1.181 66 Y HN -0.045 nan 8.280 nan 0.000 0.494 67 S N 4.215 119.436 115.700 -0.799 0.000 2.517 67 S HA 0.136 4.607 4.470 0.001 0.000 0.214 67 S C -0.865 173.192 174.600 -0.905 0.000 0.991 67 S CA 0.060 57.772 58.200 -0.813 0.000 0.906 67 S CB -0.054 62.560 63.200 -0.977 0.000 0.789 67 S HN 0.549 nan 8.310 nan 0.000 0.513 68 Y N 0.752 120.630 120.300 -0.703 0.000 2.457 68 Y HA 0.532 5.082 4.550 0.001 0.000 0.333 68 Y C 0.526 176.414 175.900 -0.019 0.000 1.119 68 Y CA -1.121 56.790 58.100 -0.315 0.000 1.143 68 Y CB 0.555 38.838 38.460 -0.295 0.000 1.230 68 Y HN -0.027 nan 8.280 nan 0.000 0.469 69 M N 1.719 121.421 119.600 0.170 0.000 2.283 69 M HA 0.133 4.614 4.480 0.001 0.000 0.314 69 M C 0.317 176.711 176.300 0.157 0.000 1.153 69 M CA -0.054 55.330 55.300 0.139 0.000 1.084 69 M CB 0.550 33.198 32.600 0.080 0.000 1.468 69 M HN 0.841 nan 8.290 nan 0.000 0.474 70 N N -0.034 118.734 118.700 0.113 0.000 2.714 70 N HA -0.147 4.594 4.740 0.001 0.000 0.250 70 N C -0.184 175.378 175.510 0.086 0.000 1.117 70 N CA 1.229 54.328 53.050 0.081 0.000 0.719 70 N CB -1.606 36.916 38.487 0.060 0.000 1.081 70 N HN 0.920 nan 8.380 nan 0.000 0.557 71 T N -3.420 111.209 114.554 0.125 0.000 2.926 71 T HA 0.803 5.154 4.350 0.001 0.000 0.289 71 T C 0.083 174.795 174.700 0.020 0.000 1.054 71 T CA -0.400 61.752 62.100 0.086 0.000 1.015 71 T CB 2.916 71.876 68.868 0.153 0.000 1.167 71 T HN 0.281 nan 8.240 nan 0.000 0.526 72 V N -2.401 117.489 119.914 -0.040 0.000 2.888 72 V HA 0.847 4.967 4.120 0.001 0.000 0.309 72 V C 0.848 176.868 176.094 -0.123 0.000 1.114 72 V CA -0.198 62.056 62.300 -0.078 0.000 0.940 72 V CB 0.697 32.495 31.823 -0.043 0.000 1.021 72 V HN 1.926 nan 8.190 nan 0.000 0.426 73 G N 2.016 110.725 108.800 -0.152 0.000 2.176 73 G HA2 -0.121 3.839 3.960 0.001 0.000 0.253 73 G HA3 -0.121 3.839 3.960 0.001 0.000 0.253 73 G C -0.085 174.697 174.900 -0.196 0.000 0.979 73 G CA 0.105 45.119 45.100 -0.143 0.000 0.641 73 G HN 1.584 nan 8.290 nan 0.000 0.530 74 V N 0.498 120.203 119.914 -0.347 0.000 2.448 74 V HA 0.841 4.962 4.120 0.001 0.000 0.295 74 V C 0.801 176.517 176.094 -0.630 0.000 1.025 74 V CA 0.014 62.057 62.300 -0.428 0.000 0.859 74 V CB 1.448 33.025 31.823 -0.411 0.000 0.988 74 V HN 0.801 nan 8.190 nan 0.000 0.431 75 G N 2.312 110.950 108.800 -0.271 0.000 2.788 75 G HA2 0.805 4.766 3.960 0.001 0.000 0.293 75 G HA3 0.805 4.766 3.960 0.001 0.000 0.293 75 G C -0.164 174.786 174.900 0.083 0.000 1.305 75 G CA -0.183 44.855 45.100 -0.104 0.000 1.005 75 G HN 0.991 nan 8.290 nan 0.000 0.496 76 G N -1.627 107.247 108.800 0.123 0.000 2.938 76 G HA2 0.560 4.521 3.960 0.001 0.000 0.258 76 G HA3 0.560 4.521 3.960 0.001 0.000 0.258 76 G C -0.658 174.262 174.900 0.034 0.000 1.356 76 G CA -0.982 44.183 45.100 0.108 0.000 1.052 76 G HN 0.589 nan 8.290 nan 0.000 0.550 77 L N 0.896 122.138 121.223 0.031 0.000 2.326 77 L HA 0.516 4.856 4.340 0.001 0.000 0.278 77 L C 1.024 177.906 176.870 0.020 0.000 1.092 77 L CA -0.759 54.090 54.840 0.016 0.000 0.810 77 L CB 1.407 43.487 42.059 0.035 0.000 1.153 77 L HN 0.577 nan 8.230 nan 0.000 0.439 78 A N 4.369 127.191 122.820 0.002 0.000 2.511 78 A HA 0.203 4.523 4.320 0.001 0.000 0.242 78 A C -0.113 177.577 177.584 0.176 0.000 1.069 78 A CA -0.121 51.930 52.037 0.023 0.000 0.763 78 A CB 0.019 18.977 19.000 -0.071 0.000 1.001 78 A HN 0.580 nan 8.150 nan 0.000 0.498 79 K N 2.766 123.215 120.400 0.082 0.000 2.183 79 K HA 0.259 4.579 4.320 0.001 0.000 0.274 79 K C 0.831 177.412 176.600 -0.032 0.000 1.009 79 K CA -0.443 55.852 56.287 0.013 0.000 0.888 79 K CB 1.849 34.340 32.500 -0.015 0.000 1.078 79 K HN 0.737 nan 8.250 nan 0.000 0.459 80 I N 1.390 121.793 120.570 -0.278 0.000 2.394 80 I HA -0.210 3.960 4.170 0.001 0.000 0.251 80 I C -0.055 176.008 176.117 -0.091 0.000 1.136 80 I CA 1.054 62.184 61.300 -0.283 0.000 1.425 80 I CB 0.318 38.020 38.000 -0.496 0.000 1.079 80 I HN 0.586 nan 8.210 nan 0.000 0.425 81 E N 1.206 121.361 120.200 -0.074 0.000 2.493 81 E HA 0.192 4.542 4.350 0.001 0.000 0.255 81 E C 0.872 177.477 176.600 0.007 0.000 0.999 81 E CA 0.991 57.373 56.400 -0.030 0.000 0.934 81 E CB -0.046 29.636 29.700 -0.030 0.000 0.940 81 E HN 0.468 nan 8.360 nan 0.000 0.473 82 G N 3.223 112.037 108.800 0.023 0.000 2.153 82 G HA2 -0.353 3.608 3.960 0.001 0.000 0.252 82 G HA3 -0.353 3.608 3.960 0.001 0.000 0.252 82 G C 0.835 175.792 174.900 0.095 0.000 0.994 82 G CA 0.428 45.560 45.100 0.052 0.000 0.698 82 G HN 0.644 nan 8.290 nan 0.000 0.521 83 I N -0.194 120.436 120.570 0.101 0.000 2.315 83 I HA -0.079 4.092 4.170 0.001 0.000 0.248 83 I C 2.502 178.755 176.117 0.226 0.000 1.117 83 I CA 2.107 63.514 61.300 0.179 0.000 1.404 83 I CB -0.072 38.021 38.000 0.155 0.000 1.071 83 I HN 0.464 nan 8.210 nan 0.000 0.419 84 E N 0.369 120.657 120.200 0.146 0.000 2.058 84 E HA -0.211 4.140 4.350 0.001 0.000 0.194 84 E C 2.104 178.824 176.600 0.199 0.000 0.997 84 E CA 1.338 57.832 56.400 0.157 0.000 0.801 84 E CB -0.435 29.325 29.700 0.099 0.000 0.746 84 E HN 0.676 nan 8.360 nan 0.000 0.450 85 G N 0.939 109.829 108.800 0.150 0.000 2.418 85 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 85 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 85 G C 1.517 176.510 174.900 0.156 0.000 1.158 85 G CA 0.518 45.695 45.100 0.128 0.000 0.771 85 G HN 0.084 nan 8.290 nan 0.000 0.545 86 R N -0.824 119.805 120.500 0.215 0.000 2.066 86 R HA -0.004 4.337 4.340 0.001 0.000 0.232 86 R C 2.312 178.801 176.300 0.315 0.000 1.131 86 R CA 1.198 57.473 56.100 0.292 0.000 0.955 86 R CB -0.612 29.898 30.300 0.349 0.000 0.851 86 R HN 0.405 nan 8.270 nan 0.000 0.432 87 F N 2.384 122.381 119.950 0.078 0.000 2.095 87 F HA -0.220 4.310 4.527 0.005 0.000 0.298 87 F C 1.961 177.671 175.800 -0.149 0.000 1.104 87 F CA 1.731 59.512 58.000 -0.366 0.000 1.232 87 F CB -0.100 38.714 39.000 -0.310 0.000 0.987 87 F HN -0.024 nan 8.300 nan 0.000 0.475 88 E N -0.198 120.015 120.200 0.021 0.000 2.118 88 E HA -0.274 4.077 4.350 0.001 0.000 0.195 88 E C 2.309 178.852 176.600 -0.095 0.000 0.992 88 E CA 1.354 57.723 56.400 -0.052 0.000 0.804 88 E CB -0.263 29.477 29.700 0.067 0.000 0.741 88 E HN 0.391 nan 8.360 nan 0.000 0.458 89 R N -0.096 120.393 120.500 -0.017 0.000 2.081 89 R HA -0.218 4.123 4.340 0.001 0.000 0.235 89 R C 2.288 178.567 176.300 -0.035 0.000 1.131 89 R CA 1.452 57.551 56.100 -0.002 0.000 0.960 89 R CB -0.391 29.948 30.300 0.065 0.000 0.856 89 R HN 0.226 nan 8.270 nan 0.000 0.436 90 Y N 1.085 121.273 120.300 -0.186 0.000 2.165 90 Y HA -0.223 4.328 4.550 0.003 0.000 0.286 90 Y C 1.875 177.593 175.900 -0.305 0.000 1.155 90 Y CA 1.593 59.557 58.100 -0.227 0.000 1.164 90 Y CB -0.079 38.171 38.460 -0.349 0.000 0.978 90 Y HN 0.057 nan 8.280 nan 0.000 0.513 91 I N 0.305 120.577 120.570 -0.496 0.000 2.226 91 I HA -0.245 3.925 4.170 0.001 0.000 0.245 91 I C 2.644 178.580 176.117 -0.302 0.000 1.100 91 I CA 1.467 62.481 61.300 -0.476 0.000 1.374 91 I CB -2.093 35.620 38.000 -0.480 0.000 1.057 91 I HN 0.345 nan 8.210 nan 0.000 0.413 92 A N 0.384 123.074 122.820 -0.216 0.000 1.930 92 A HA -0.128 4.192 4.320 0.001 0.000 0.217 92 A C 2.077 179.582 177.584 -0.133 0.000 1.175 92 A CA 1.138 53.094 52.037 -0.136 0.000 0.627 92 A CB -0.338 18.612 19.000 -0.084 0.000 0.815 92 A HN 0.332 nan 8.150 nan 0.000 0.443 93 E N 0.473 120.578 120.200 -0.157 0.000 2.358 93 E HA -0.025 4.326 4.350 0.001 0.000 0.195 93 E C 0.185 176.681 176.600 -0.173 0.000 1.010 93 E CA 0.463 56.784 56.400 -0.131 0.000 0.856 93 E CB -0.148 29.497 29.700 -0.091 0.000 0.795 93 E HN 0.614 nan 8.360 nan 0.000 0.504 94 N N 0.471 119.009 118.700 -0.269 0.000 2.351 94 N HA 0.139 4.880 4.740 0.001 0.000 0.254 94 N C 0.872 176.264 175.510 -0.196 0.000 1.241 94 N CA -0.100 52.788 53.050 -0.270 0.000 0.883 94 N CB 0.629 38.836 38.487 -0.467 0.000 1.202 94 N HN 0.026 nan 8.380 nan 0.000 0.512 95 R N 1.054 121.467 120.500 -0.145 0.000 2.170 95 R HA -0.131 4.210 4.340 0.001 0.000 0.242 95 R C 1.129 177.395 176.300 -0.058 0.000 1.145 95 R CA 1.526 57.571 56.100 -0.093 0.000 0.984 95 R CB -0.068 30.191 30.300 -0.068 0.000 0.869 95 R HN 0.363 nan 8.270 nan 0.000 0.455 96 D N 0.014 120.380 120.400 -0.057 0.000 2.363 96 D HA -0.103 4.537 4.640 0.001 0.000 0.220 96 D C 0.028 176.315 176.300 -0.021 0.000 0.994 96 D CA 0.417 54.399 54.000 -0.030 0.000 0.890 96 D CB 0.040 40.824 40.800 -0.027 0.000 0.906 96 D HN 0.209 nan 8.370 nan 0.000 0.530 97 Q N 0.752 120.529 119.800 -0.038 0.000 2.314 97 Q HA 0.160 4.500 4.340 0.001 0.000 0.259 97 Q C 0.769 176.776 176.000 0.011 0.000 0.951 97 Q CA -0.375 55.419 55.803 -0.015 0.000 0.909 97 Q CB 2.438 31.156 28.738 -0.034 0.000 1.236 97 Q HN 0.107 nan 8.270 nan 0.000 0.444 98 E N 2.782 123.004 120.200 0.037 0.000 2.085 98 E HA -0.224 4.127 4.350 0.001 0.000 0.194 98 E C 1.564 178.217 176.600 0.090 0.000 0.994 98 E CA 1.554 57.992 56.400 0.062 0.000 0.801 98 E CB -0.003 29.731 29.700 0.056 0.000 0.743 98 E HN 0.948 nan 8.360 nan 0.000 0.453 99 G N 0.394 109.240 108.800 0.075 0.000 2.422 99 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 99 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 99 G C 1.635 176.630 174.900 0.159 0.000 1.146 99 G CA 0.958 46.118 45.100 0.099 0.000 0.769 99 G HN 0.241 nan 8.290 nan 0.000 0.547 100 V N 0.533 120.496 119.914 0.083 0.000 2.379 100 V HA -0.115 4.006 4.120 0.001 0.000 0.245 100 V C 2.877 178.985 176.094 0.023 0.000 1.044 100 V CA 1.728 64.037 62.300 0.014 0.000 1.036 100 V CB -0.458 31.260 31.823 -0.175 0.000 0.664 100 V HN 0.302 nan 8.190 nan 0.000 0.453 101 R N -0.735 119.792 120.500 0.045 0.000 2.091 101 R HA -0.185 4.156 4.340 0.001 0.000 0.238 101 R C 2.264 178.638 176.300 0.123 0.000 1.136 101 R CA 2.025 58.160 56.100 0.058 0.000 0.959 101 R CB -0.577 29.762 30.300 0.064 0.000 0.856 101 R HN 0.533 nan 8.270 nan 0.000 0.437 102 F N 1.643 121.624 119.950 0.051 0.000 2.102 102 F HA -0.175 4.352 4.527 -0.001 0.000 0.298 102 F C 1.975 177.842 175.800 0.113 0.000 1.105 102 F CA 1.407 59.457 58.000 0.082 0.000 1.239 102 F CB -0.187 38.855 39.000 0.070 0.000 0.991 102 F HN -0.096 nan 8.300 nan 0.000 0.474 103 L N -0.114 121.267 121.223 0.264 0.000 2.079 103 L HA -0.187 4.153 4.340 0.001 0.000 0.210 103 L C 2.779 179.811 176.870 0.271 0.000 1.081 103 L CA 1.364 56.364 54.840 0.266 0.000 0.752 103 L CB -1.583 40.677 42.059 0.335 0.000 0.896 103 L HN 0.373 nan 8.230 nan 0.000 0.433 104 G N -0.131 108.752 108.800 0.138 0.000 2.421 104 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 104 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 104 G C 1.689 176.647 174.900 0.097 0.000 1.171 104 G CA 0.490 45.663 45.100 0.121 0.000 0.775 104 G HN 0.286 nan 8.290 nan 0.000 0.543 105 K N 0.519 120.918 120.400 -0.001 0.000 2.148 105 K HA 0.004 4.325 4.320 0.001 0.000 0.204 105 K C 2.924 179.475 176.600 -0.082 0.000 1.050 105 K CA 1.005 57.266 56.287 -0.044 0.000 0.942 105 K CB -0.102 32.351 32.500 -0.078 0.000 0.724 105 K HN 0.213 nan 8.250 nan 0.000 0.446 106 S N 1.595 117.182 115.700 -0.189 0.000 2.359 106 S HA -0.163 4.308 4.470 0.001 0.000 0.224 106 S C 1.818 176.406 174.600 -0.019 0.000 1.035 106 S CA 1.127 59.232 58.200 -0.159 0.000 1.018 106 S CB -0.254 62.869 63.200 -0.128 0.000 0.876 106 S HN 0.203 nan 8.310 nan 0.000 0.448 107 L N 1.633 122.929 121.223 0.120 0.000 2.012 107 L HA -0.094 4.247 4.340 0.001 0.000 0.210 107 L C 2.438 179.312 176.870 0.006 0.000 1.073 107 L CA 2.176 57.084 54.840 0.113 0.000 0.748 107 L CB -1.099 41.078 42.059 0.198 0.000 0.891 107 L HN 0.300 nan 8.230 nan 0.000 0.431 108 S N -1.838 113.884 115.700 0.036 0.000 2.359 108 S HA -0.304 4.167 4.470 0.001 0.000 0.224 108 S C 2.118 176.700 174.600 -0.030 0.000 1.035 108 S CA 1.510 59.715 58.200 0.007 0.000 1.018 108 S CB -0.734 62.482 63.200 0.026 0.000 0.876 108 S HN 0.623 nan 8.310 nan 0.000 0.448 109 Y N 1.778 122.003 120.300 -0.125 0.000 2.128 109 Y HA -0.150 4.400 4.550 0.000 0.000 0.284 109 Y C 2.279 178.067 175.900 -0.187 0.000 1.154 109 Y CA 2.050 60.065 58.100 -0.141 0.000 1.149 109 Y CB -0.527 37.844 38.460 -0.147 0.000 0.976 109 Y HN 0.149 nan 8.280 nan 0.000 0.505 110 V N 0.596 120.400 119.914 -0.184 0.000 2.307 110 V HA -0.278 3.843 4.120 0.001 0.000 0.245 110 V C 2.496 178.424 176.094 -0.276 0.000 1.045 110 V CA 2.322 64.407 62.300 -0.358 0.000 1.024 110 V CB -0.669 30.628 31.823 -0.876 0.000 0.651 110 V HN 0.345 nan 8.190 nan 0.000 0.449 111 R N -0.165 120.214 120.500 -0.203 0.000 2.062 111 R HA -0.122 4.218 4.340 0.001 0.000 0.229 111 R C 1.963 178.187 176.300 -0.128 0.000 1.128 111 R CA 1.849 57.874 56.100 -0.124 0.000 0.960 111 R CB -0.174 30.090 30.300 -0.061 0.000 0.855 111 R HN 0.512 nan 8.270 nan 0.000 0.432 112 D N -0.329 119.985 120.400 -0.144 0.000 2.201 112 D HA -0.069 4.571 4.640 0.001 0.000 0.209 112 D C 1.962 178.144 176.300 -0.196 0.000 0.961 112 D CA 0.760 54.680 54.000 -0.133 0.000 0.861 112 D CB 0.102 40.845 40.800 -0.094 0.000 0.997 112 D HN 0.191 nan 8.370 nan 0.000 0.486 113 Q N 0.061 119.658 119.800 -0.338 0.000 2.259 113 Q HA 0.181 4.521 4.340 0.001 0.000 0.201 113 Q C 2.404 178.171 176.000 -0.387 0.000 0.938 113 Q CA 0.305 55.843 55.803 -0.440 0.000 0.872 113 Q CB 0.255 28.505 28.738 -0.812 0.000 0.971 113 Q HN 0.305 nan 8.270 nan 0.000 0.494 114 L N -0.764 120.226 121.223 -0.388 0.000 2.477 114 L HA 0.210 4.550 4.340 0.001 0.000 0.220 114 L C 0.971 177.752 176.870 -0.149 0.000 1.106 114 L CA 0.541 55.240 54.840 -0.235 0.000 0.851 114 L CB -0.125 41.816 42.059 -0.196 0.000 0.994 114 L HN 0.346 nan 8.230 nan 0.000 0.462 115 G N 1.226 109.937 108.800 -0.148 0.000 2.176 115 G HA2 -0.267 3.693 3.960 0.001 0.000 0.252 115 G HA3 -0.267 3.693 3.960 0.001 0.000 0.252 115 G C 0.125 174.981 174.900 -0.072 0.000 1.024 115 G CA 0.072 45.114 45.100 -0.095 0.000 0.755 115 G HN 0.223 nan 8.290 nan 0.000 0.507 116 L N -0.199 120.972 121.223 -0.087 0.000 2.416 116 L HA 0.444 4.784 4.340 0.001 0.000 0.262 116 L C 0.691 177.543 176.870 -0.030 0.000 1.093 116 L CA -1.043 53.764 54.840 -0.054 0.000 0.801 116 L CB 0.656 42.675 42.059 -0.067 0.000 1.191 116 L HN 0.092 nan 8.230 nan 0.000 0.459 117 D N 2.432 122.837 120.400 0.008 0.000 2.382 117 D HA 0.033 4.673 4.640 0.001 0.000 0.259 117 D C -1.640 174.698 176.300 0.064 0.000 1.224 117 D CA -1.334 52.683 54.000 0.028 0.000 0.894 117 D CB 1.562 42.383 40.800 0.034 0.000 1.127 117 D HN 0.244 nan 8.370 nan 0.000 0.487 118 P HA -0.104 nan 4.420 nan 0.000 0.216 118 P C 1.036 178.390 177.300 0.091 0.000 1.153 118 P CA 0.862 64.014 63.100 0.088 0.000 0.844 118 P CB 0.188 31.915 31.700 0.046 0.000 0.787 119 A N 0.598 123.449 122.820 0.052 0.000 1.898 119 A HA -0.012 4.308 4.320 0.001 0.000 0.216 119 A C 2.489 180.103 177.584 0.049 0.000 1.181 119 A CA 2.100 54.157 52.037 0.034 0.000 0.620 119 A CB -1.529 17.483 19.000 0.020 0.000 0.819 119 A HN 0.220 nan 8.150 nan 0.000 0.442 120 A N -1.051 121.810 122.820 0.068 0.000 1.930 120 A HA 0.007 4.327 4.320 0.001 0.000 0.217 120 A C 2.015 179.669 177.584 0.117 0.000 1.175 120 A CA 1.560 53.648 52.037 0.086 0.000 0.627 120 A CB -0.710 18.335 19.000 0.074 0.000 0.815 120 A HN 0.729 nan 8.150 nan 0.000 0.443 121 F N 0.839 120.776 119.950 -0.022 0.000 2.095 121 F HA -0.161 4.366 4.527 0.000 0.000 0.298 121 F C 1.839 177.594 175.800 -0.074 0.000 1.104 121 F CA 1.751 59.723 58.000 -0.047 0.000 1.232 121 F CB -0.491 38.468 39.000 -0.069 0.000 0.987 121 F HN 0.142 nan 8.300 nan 0.000 0.475 122 L N -0.544 120.465 121.223 -0.357 0.000 2.046 122 L HA -0.254 4.086 4.340 0.001 0.000 0.208 122 L C 2.775 179.484 176.870 -0.269 0.000 1.077 122 L CA 1.788 56.320 54.840 -0.513 0.000 0.747 122 L CB -1.128 40.711 42.059 -0.367 0.000 0.896 122 L HN 0.313 nan 8.230 nan 0.000 0.432 123 H N 0.096 119.057 119.070 -0.181 0.000 2.423 123 H HA -0.185 4.371 4.556 0.000 0.000 0.297 123 H C 2.142 177.394 175.328 -0.127 0.000 1.075 123 H CA 1.675 57.653 56.048 -0.117 0.000 1.342 123 H CB 0.413 30.137 29.762 -0.063 0.000 1.395 123 H HN 0.421 nan 8.280 nan 0.000 0.530 124 E N -0.160 119.970 120.200 -0.117 0.000 2.077 124 E HA -0.150 4.200 4.350 0.001 0.000 0.193 124 E C 2.125 178.591 176.600 -0.223 0.000 0.989 124 E CA 0.863 57.182 56.400 -0.134 0.000 0.800 124 E CB 0.208 29.889 29.700 -0.031 0.000 0.746 124 E HN 0.334 nan 8.360 nan 0.000 0.452 125 M N 0.188 119.587 119.600 -0.335 0.000 2.156 125 M HA -0.101 4.380 4.480 0.001 0.000 0.264 125 M C 2.375 178.504 176.300 -0.285 0.000 1.067 125 M CA 0.832 55.922 55.300 -0.351 0.000 1.131 125 M CB -0.657 31.601 32.600 -0.571 0.000 1.368 125 M HN 0.105 nan 8.290 nan 0.000 0.416 126 V N 0.530 120.274 119.914 -0.282 0.000 2.270 126 V HA -0.265 3.856 4.120 0.001 0.000 0.245 126 V C 1.991 177.908 176.094 -0.294 0.000 1.043 126 V CA 2.212 64.365 62.300 -0.245 0.000 1.014 126 V CB -0.714 30.994 31.823 -0.192 0.000 0.645 126 V HN 0.357 nan 8.190 nan 0.000 0.447 127 D N -0.044 120.112 120.400 -0.406 0.000 2.117 127 D HA -0.112 4.528 4.640 0.001 0.000 0.197 127 D C 2.160 178.332 176.300 -0.214 0.000 0.987 127 D CA 1.446 55.233 54.000 -0.355 0.000 0.829 127 D CB -0.388 40.125 40.800 -0.478 0.000 0.961 127 D HN 0.371 nan 8.370 nan 0.000 0.460 128 G N 0.519 109.203 108.800 -0.193 0.000 2.459 128 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 128 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 128 G C 1.690 176.525 174.900 -0.108 0.000 1.183 128 G CA 0.549 45.576 45.100 -0.122 0.000 0.776 128 G HN 0.398 nan 8.290 nan 0.000 0.552 129 I N 0.263 120.731 120.570 -0.169 0.000 2.676 129 I HA 0.041 4.211 4.170 0.001 0.000 0.259 129 I C 2.331 178.361 176.117 -0.145 0.000 1.194 129 I CA 0.377 61.556 61.300 -0.202 0.000 1.473 129 I CB 0.098 37.850 38.000 -0.414 0.000 1.096 129 I HN 0.125 nan 8.210 nan 0.000 0.443 130 L N 0.692 121.828 121.223 -0.144 0.000 2.291 130 L HA 0.051 4.391 4.340 0.001 0.000 0.214 130 L C 1.479 178.301 176.870 -0.080 0.000 1.120 130 L CA 0.716 55.487 54.840 -0.116 0.000 0.799 130 L CB -0.790 41.188 42.059 -0.135 0.000 0.925 130 L HN 0.446 nan 8.230 nan 0.000 0.446 131 G N 0.197 108.954 108.800 -0.072 0.000 2.366 131 G HA2 -0.320 3.640 3.960 0.001 0.000 0.299 131 G HA3 -0.320 3.640 3.960 0.001 0.000 0.299 131 G C 0.643 175.488 174.900 -0.092 0.000 1.020 131 G CA 0.403 45.469 45.100 -0.058 0.000 1.026 131 G HN 0.616 nan 8.290 nan 0.000 0.512 132 C N -2.116 117.122 119.300 -0.103 0.000 3.183 132 C HA 0.506 4.966 4.460 0.001 0.000 0.285 132 C C 0.495 175.409 174.990 -0.127 0.000 1.313 132 C CA -1.154 57.798 59.018 -0.110 0.000 1.711 132 C CB -0.315 27.374 27.740 -0.086 0.000 2.135 132 C HN 0.445 nan 8.230 nan 0.000 0.651 133 N N 0.114 118.742 118.700 -0.120 0.000 2.238 133 N HA 0.358 5.099 4.740 0.001 0.000 0.302 133 N C -1.554 173.902 175.510 -0.090 0.000 1.072 133 N CA -0.247 52.748 53.050 -0.091 0.000 0.792 133 N CB 1.235 39.713 38.487 -0.014 0.000 1.425 133 N HN 0.266 nan 8.380 nan 0.000 0.478 134 Y N 1.171 121.485 120.300 0.024 0.000 2.811 134 Y HA 0.037 4.588 4.550 0.001 0.000 0.334 134 Y C -1.432 174.489 175.900 0.035 0.000 1.247 134 Y CA -0.458 57.662 58.100 0.034 0.000 1.526 134 Y CB -0.339 38.146 38.460 0.042 0.000 1.284 134 Y HN 0.303 nan 8.280 nan 0.000 0.586 135 P HA 0.019 nan 4.420 nan 0.000 0.261 135 P C -0.969 176.409 177.300 0.130 0.000 1.183 135 P CA 0.301 63.481 63.100 0.133 0.000 0.761 135 P CB 0.554 32.332 31.700 0.130 0.000 0.785 136 V N 5.890 125.864 119.914 0.099 0.000 2.612 136 V HA 0.459 4.580 4.120 0.001 0.000 0.301 136 V C -2.421 173.713 176.094 0.067 0.000 1.059 136 V CA -2.278 60.075 62.300 0.087 0.000 0.886 136 V CB 2.085 33.964 31.823 0.093 0.000 1.007 136 V HN 0.432 nan 8.190 nan 0.000 0.426 137 P HA 0.363 nan 4.420 nan 0.000 0.272 137 P C -2.435 174.895 177.300 0.049 0.000 1.230 137 P CA -1.433 61.696 63.100 0.049 0.000 0.788 137 P CB 0.346 32.062 31.700 0.027 0.000 0.949 138 P HA -0.122 nan 4.420 nan 0.000 0.216 138 P C 1.738 179.065 177.300 0.044 0.000 1.150 138 P CA 1.427 64.541 63.100 0.024 0.000 0.837 138 P CB -0.017 31.648 31.700 -0.058 0.000 0.786 139 R N -1.530 118.959 120.500 -0.019 0.000 2.070 139 R HA 0.032 4.373 4.340 0.001 0.000 0.233 139 R C 0.834 177.253 176.300 0.198 0.000 1.137 139 R CA 1.289 57.396 56.100 0.012 0.000 0.945 139 R CB -0.125 30.122 30.300 -0.089 0.000 0.845 139 R HN 0.150 nan 8.270 nan 0.000 0.430 140 M N -0.371 119.301 119.600 0.120 0.000 2.562 140 M HA 0.266 4.747 4.480 0.001 0.000 0.281 140 M C -1.501 174.848 176.300 0.081 0.000 1.195 140 M CA -0.718 54.653 55.300 0.117 0.000 0.888 140 M CB 1.996 34.669 32.600 0.122 0.000 1.731 140 M HN -0.067 nan 8.290 nan 0.000 0.493 141 L N 2.495 123.761 121.223 0.073 0.000 2.485 141 L HA 0.040 4.380 4.340 0.001 0.000 0.275 141 L C 1.084 177.993 176.870 0.065 0.000 1.207 141 L CA -0.019 54.858 54.840 0.061 0.000 0.855 141 L CB 0.066 42.153 42.059 0.048 0.000 1.114 141 L HN 0.838 nan 8.230 nan 0.000 0.485 142 N N 2.918 121.655 118.700 0.062 0.000 2.025 142 N HA -0.200 4.541 4.740 0.001 0.000 0.194 142 N C 1.470 177.022 175.510 0.071 0.000 1.044 142 N CA 1.886 54.973 53.050 0.061 0.000 0.851 142 N CB -0.047 38.473 38.487 0.056 0.000 1.036 142 N HN 0.617 nan 8.380 nan 0.000 0.422 143 I N -0.499 120.124 120.570 0.089 0.000 2.406 143 I HA -0.116 4.055 4.170 0.001 0.000 0.249 143 I C 2.085 178.272 176.117 0.116 0.000 1.122 143 I CA 0.419 61.786 61.300 0.111 0.000 1.431 143 I CB -0.214 37.891 38.000 0.175 0.000 1.087 143 I HN 0.115 nan 8.210 nan 0.000 0.424 144 S N 0.373 116.141 115.700 0.112 0.000 2.374 144 S HA -0.285 4.186 4.470 0.001 0.000 0.227 144 S C 1.951 176.602 174.600 0.086 0.000 1.037 144 S CA 1.745 60.001 58.200 0.093 0.000 1.024 144 S CB -0.334 62.900 63.200 0.058 0.000 0.861 144 S HN 0.490 nan 8.310 nan 0.000 0.456 145 E N 1.100 121.351 120.200 0.084 0.000 2.058 145 E HA -0.217 4.134 4.350 0.001 0.000 0.194 145 E C 1.881 178.534 176.600 0.089 0.000 0.997 145 E CA 1.208 57.661 56.400 0.089 0.000 0.801 145 E CB -0.053 29.694 29.700 0.079 0.000 0.746 145 E HN 0.426 nan 8.360 nan 0.000 0.450 146 K N 0.049 120.494 120.400 0.076 0.000 2.097 146 K HA -0.121 4.200 4.320 0.001 0.000 0.206 146 K C 2.183 178.831 176.600 0.080 0.000 1.049 146 K CA 1.407 57.734 56.287 0.066 0.000 0.933 146 K CB -0.076 32.451 32.500 0.045 0.000 0.717 146 K HN 0.244 nan 8.250 nan 0.000 0.442 147 I N 0.222 120.845 120.570 0.088 0.000 2.193 147 I HA -0.229 3.941 4.170 0.001 0.000 0.240 147 I C 2.119 178.332 176.117 0.159 0.000 1.084 147 I CA 0.873 62.237 61.300 0.107 0.000 1.365 147 I CB -0.161 37.887 38.000 0.081 0.000 1.064 147 I HN -0.097 nan 8.210 nan 0.000 0.410 148 V N 1.959 121.971 119.914 0.164 0.000 2.407 148 V HA -0.255 3.865 4.120 0.001 0.000 0.248 148 V C 2.603 178.860 176.094 0.271 0.000 1.055 148 V CA 2.173 64.624 62.300 0.251 0.000 1.049 148 V CB -1.022 30.937 31.823 0.228 0.000 0.662 148 V HN 0.527 nan 8.190 nan 0.000 0.455 149 R N 0.004 120.611 120.500 0.177 0.000 2.115 149 R HA -0.141 4.200 4.340 0.001 0.000 0.230 149 R C 2.059 178.429 176.300 0.116 0.000 1.111 149 R CA 1.139 57.318 56.100 0.130 0.000 0.976 149 R CB -0.465 29.893 30.300 0.098 0.000 0.870 149 R HN 0.385 nan 8.270 nan 0.000 0.445 150 Q N 0.634 120.517 119.800 0.139 0.000 2.061 150 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 150 Q C 1.918 177.999 176.000 0.136 0.000 0.984 150 Q CA 1.834 57.718 55.803 0.134 0.000 0.846 150 Q CB -0.613 28.225 28.738 0.167 0.000 0.902 150 Q HN 0.514 nan 8.270 nan 0.000 0.421 151 Y N 1.273 121.620 120.300 0.078 0.000 2.128 151 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 151 Y C 2.053 177.928 175.900 -0.042 0.000 1.154 151 Y CA 1.282 59.414 58.100 0.054 0.000 1.149 151 Y CB -0.284 38.257 38.460 0.136 0.000 0.976 151 Y HN -0.016 nan 8.280 nan 0.000 0.505 152 I N 0.526 121.002 120.570 -0.157 0.000 2.142 152 I HA -0.321 3.850 4.170 0.001 0.000 0.240 152 I C 2.546 178.517 176.117 -0.243 0.000 1.078 152 I CA 1.640 62.738 61.300 -0.336 0.000 1.343 152 I CB -1.373 36.557 38.000 -0.116 0.000 1.046 152 I HN 0.346 nan 8.210 nan 0.000 0.405 153 I N 0.294 120.818 120.570 -0.076 0.000 2.208 153 I HA -0.330 3.841 4.170 0.001 0.000 0.245 153 I C 2.865 178.950 176.117 -0.053 0.000 1.097 153 I CA 1.383 62.682 61.300 -0.002 0.000 1.363 153 I CB -0.384 37.648 38.000 0.053 0.000 1.051 153 I HN 0.218 nan 8.210 nan 0.000 0.413 154 R N 0.787 121.226 120.500 -0.102 0.000 2.066 154 R HA -0.156 4.184 4.340 0.001 0.000 0.232 154 R C 2.112 178.315 176.300 -0.161 0.000 1.131 154 R CA 1.373 57.411 56.100 -0.102 0.000 0.955 154 R CB -0.022 30.235 30.300 -0.072 0.000 0.851 154 R HN 0.229 nan 8.270 nan 0.000 0.432 155 E N 0.007 120.006 120.200 -0.336 0.000 2.274 155 E HA -0.113 4.237 4.350 0.001 0.000 0.194 155 E C 1.587 178.124 176.600 -0.104 0.000 0.996 155 E CA 0.726 56.922 56.400 -0.341 0.000 0.840 155 E CB 0.128 29.396 29.700 -0.720 0.000 0.772 155 E HN 0.394 nan 8.360 nan 0.000 0.491 156 M N -0.861 118.689 119.600 -0.084 0.000 2.495 156 M HA 0.156 4.636 4.480 0.001 0.000 0.237 156 M C 0.950 177.246 176.300 -0.007 0.000 1.131 156 M CA 0.439 55.788 55.300 0.081 0.000 1.032 156 M CB -0.165 32.484 32.600 0.082 0.000 1.513 156 M HN 0.144 nan 8.290 nan 0.000 0.488 157 G N 1.122 109.904 108.800 -0.030 0.000 2.198 157 G HA2 -0.242 3.718 3.960 0.001 0.000 0.260 157 G HA3 -0.242 3.718 3.960 0.001 0.000 0.260 157 G C 0.686 175.568 174.900 -0.029 0.000 1.025 157 G CA 0.436 45.506 45.100 -0.051 0.000 0.769 157 G HN 0.654 nan 8.290 nan 0.000 0.507 158 A N -0.605 122.224 122.820 0.015 0.000 2.532 158 A HA 0.521 4.842 4.320 0.001 0.000 0.273 158 A C 1.433 179.038 177.584 0.035 0.000 1.342 158 A CA 1.049 53.114 52.037 0.047 0.000 0.929 158 A CB -0.055 19.050 19.000 0.176 0.000 1.051 158 A HN 0.360 nan 8.150 nan 0.000 0.521 159 D N 0.850 121.258 120.400 0.013 0.000 2.182 159 D HA -0.128 4.513 4.640 0.001 0.000 0.201 159 D C 1.994 178.302 176.300 0.013 0.000 0.986 159 D CA 1.492 55.501 54.000 0.014 0.000 0.847 159 D CB -0.015 40.788 40.800 0.004 0.000 0.942 159 D HN 0.504 nan 8.370 nan 0.000 0.467 160 A N 0.181 123.003 122.820 0.003 0.000 2.178 160 A HA -0.020 4.301 4.320 0.001 0.000 0.218 160 A C 0.938 178.530 177.584 0.012 0.000 1.157 160 A CA 0.432 52.470 52.037 0.001 0.000 0.689 160 A CB -0.528 18.464 19.000 -0.012 0.000 0.787 160 A HN 0.206 nan 8.150 nan 0.000 0.465 161 I N 1.089 121.673 120.570 0.023 0.000 2.342 161 I HA 0.234 4.404 4.170 0.001 0.000 0.291 161 I C -2.373 173.770 176.117 0.042 0.000 1.010 161 I CA -2.301 59.028 61.300 0.048 0.000 1.308 161 I CB 1.270 39.306 38.000 0.060 0.000 1.400 161 I HN -0.030 nan 8.210 nan 0.000 0.488 162 P HA 0.088 nan 4.420 nan 0.000 0.267 162 P C 0.494 177.800 177.300 0.009 0.000 1.205 162 P CA 0.100 63.210 63.100 0.018 0.000 0.765 162 P CB 0.757 32.465 31.700 0.014 0.000 0.828 163 S N 2.158 117.869 115.700 0.019 0.000 2.387 163 S HA -0.206 4.264 4.470 0.001 0.000 0.230 163 S C 1.305 175.912 174.600 0.013 0.000 1.035 163 S CA 1.635 59.851 58.200 0.027 0.000 1.014 163 S CB -0.535 62.683 63.200 0.030 0.000 0.836 163 S HN 0.596 nan 8.310 nan 0.000 0.466 164 E N 1.165 121.364 120.200 -0.002 0.000 2.338 164 E HA 0.053 4.404 4.350 0.001 0.000 0.197 164 E C 1.569 178.146 176.600 -0.039 0.000 1.007 164 E CA 0.496 56.891 56.400 -0.009 0.000 0.849 164 E CB -0.223 29.474 29.700 -0.005 0.000 0.774 164 E HN 0.262 nan 8.360 nan 0.000 0.506 165 S N -0.058 115.588 115.700 -0.089 0.000 2.605 165 S HA 0.140 4.611 4.470 0.001 0.000 0.217 165 S C 0.169 174.608 174.600 -0.268 0.000 0.958 165 S CA -0.188 57.867 58.200 -0.242 0.000 0.919 165 S CB 0.446 63.413 63.200 -0.389 0.000 0.780 165 S HN -0.043 nan 8.310 nan 0.000 0.507 166 V N 2.950 122.826 119.914 -0.063 0.000 2.409 166 V HA 0.409 4.529 4.120 0.001 0.000 0.291 166 V C -0.686 175.441 176.094 0.056 0.000 1.020 166 V CA -0.917 61.418 62.300 0.059 0.000 0.848 166 V CB 1.505 33.418 31.823 0.151 0.000 0.990 166 V HN 0.254 nan 8.190 nan 0.000 0.430 167 N N 4.167 122.908 118.700 0.069 0.000 2.319 167 N HA 0.810 5.551 4.740 0.001 0.000 0.305 167 N C -1.289 174.265 175.510 0.072 0.000 1.103 167 N CA -0.695 52.392 53.050 0.062 0.000 0.815 167 N CB 2.171 40.687 38.487 0.048 0.000 1.288 167 N HN 0.513 nan 8.380 nan 0.000 0.493 168 L N 1.136 122.413 121.223 0.090 0.000 2.354 168 L HA 0.574 4.914 4.340 0.001 0.000 0.269 168 L C -1.324 175.668 176.870 0.202 0.000 1.005 168 L CA -0.928 53.986 54.840 0.123 0.000 0.819 168 L CB 1.457 43.591 42.059 0.124 0.000 1.311 168 L HN 0.456 nan 8.230 nan 0.000 0.423 169 F N 2.573 122.537 119.950 0.024 0.000 2.403 169 F HA 0.694 5.222 4.527 0.001 0.000 0.355 169 F C 0.017 175.858 175.800 0.068 0.000 1.119 169 F CA -1.537 56.478 58.000 0.025 0.000 1.007 169 F CB 1.112 40.107 39.000 -0.007 0.000 1.194 169 F HN 0.476 nan 8.300 nan 0.000 0.443 170 A N 6.466 129.381 122.820 0.158 0.000 2.409 170 A HA 0.636 4.957 4.320 0.001 0.000 0.267 170 A C -0.620 176.812 177.584 -0.253 0.000 1.127 170 A CA 0.202 52.224 52.037 -0.025 0.000 0.795 170 A CB -0.035 18.998 19.000 0.055 0.000 1.061 170 A HN 1.239 nan 8.150 nan 0.000 0.502 171 V N 0.087 119.857 119.914 -0.239 0.000 3.160 171 V HA 0.664 4.785 4.120 0.001 0.000 0.310 171 V C -0.450 175.599 176.094 -0.075 0.000 1.181 171 V CA -1.048 61.110 62.300 -0.235 0.000 1.047 171 V CB 1.731 33.334 31.823 -0.367 0.000 1.068 171 V HN 0.689 nan 8.190 nan 0.000 0.441 172 E N 2.383 122.556 120.200 -0.046 0.000 2.222 172 E HA 0.543 4.894 4.350 0.001 0.000 0.312 172 E C 0.663 177.248 176.600 -0.025 0.000 1.263 172 E CA 1.128 57.524 56.400 -0.007 0.000 1.356 172 E CB -0.412 29.299 29.700 0.018 0.000 1.180 172 E HN 1.601 nan 8.360 nan 0.000 0.494 173 G N 0.114 108.917 108.800 0.004 0.000 2.829 173 G HA2 -0.212 3.748 3.960 0.001 0.000 0.628 173 G HA3 -0.212 3.748 3.960 0.001 0.000 0.628 173 G C 0.964 175.854 174.900 -0.016 0.000 1.412 173 G CA -0.621 44.490 45.100 0.020 0.000 0.864 173 G HN 0.522 nan 8.290 nan 0.000 0.544 174 G N -1.180 107.625 108.800 0.008 0.000 2.450 174 G HA2 -0.008 3.952 3.960 0.001 0.000 0.220 174 G HA3 -0.008 3.952 3.960 0.001 0.000 0.220 174 G C 1.877 176.815 174.900 0.064 0.000 1.130 174 G CA 2.403 47.525 45.100 0.037 0.000 0.760 174 G HN 1.289 nan 8.290 nan 0.000 0.557 175 T N 1.562 116.149 114.554 0.054 0.000 2.635 175 T HA -0.097 4.253 4.350 0.001 0.000 0.267 175 T C 2.814 177.466 174.700 -0.080 0.000 1.040 175 T CA 1.807 63.936 62.100 0.048 0.000 1.156 175 T CB -0.400 68.488 68.868 0.033 0.000 0.863 175 T HN 0.400 nan 8.240 nan 0.000 0.430 176 A N 1.252 123.943 122.820 -0.216 0.000 1.898 176 A HA 0.233 4.553 4.320 0.001 0.000 0.216 176 A C 2.663 179.790 177.584 -0.762 0.000 1.181 176 A CA 1.764 53.447 52.037 -0.590 0.000 0.620 176 A CB -1.131 17.508 19.000 -0.601 0.000 0.819 176 A HN 0.505 nan 8.150 nan 0.000 0.442 177 A N -0.543 122.060 122.820 -0.362 0.000 1.892 177 A HA -0.213 4.107 4.320 0.001 0.000 0.218 177 A C 2.186 179.720 177.584 -0.084 0.000 1.188 177 A CA 2.277 54.208 52.037 -0.175 0.000 0.631 177 A CB -0.521 18.433 19.000 -0.076 0.000 0.822 177 A HN 0.428 nan 8.150 nan 0.000 0.447 178 M N -0.563 119.018 119.600 -0.031 0.000 2.099 178 M HA -0.070 4.410 4.480 0.001 0.000 0.262 178 M C 2.553 178.946 176.300 0.157 0.000 1.067 178 M CA 1.527 56.868 55.300 0.069 0.000 1.124 178 M CB -1.755 30.937 32.600 0.154 0.000 1.353 178 M HN 0.487 nan 8.290 nan 0.000 0.410 179 A N -0.242 122.613 122.820 0.058 0.000 1.883 179 A HA -0.203 4.117 4.320 0.001 0.000 0.217 179 A C 1.993 179.719 177.584 0.237 0.000 1.186 179 A CA 1.591 53.698 52.037 0.118 0.000 0.624 179 A CB -1.060 17.953 19.000 0.022 0.000 0.822 179 A HN 0.427 nan 8.150 nan 0.000 0.444 180 Y N -0.256 120.110 120.300 0.109 0.000 2.181 180 Y HA -0.111 4.439 4.550 0.001 0.000 0.288 180 Y C 2.269 178.201 175.900 0.054 0.000 1.146 180 Y CA 0.467 58.626 58.100 0.099 0.000 1.164 180 Y CB -1.018 37.514 38.460 0.120 0.000 0.982 180 Y HN 0.235 nan 8.280 nan 0.000 0.515 181 I N -1.405 119.252 120.570 0.144 0.000 2.179 181 I HA -0.317 3.854 4.170 0.001 0.000 0.242 181 I C 2.075 178.127 176.117 -0.108 0.000 1.088 181 I CA 1.399 62.677 61.300 -0.037 0.000 1.357 181 I CB -0.533 37.339 38.000 -0.213 0.000 1.051 181 I HN 0.009 nan 8.210 nan 0.000 0.409 182 F N 0.989 120.869 119.950 -0.117 0.000 2.134 182 F HA -0.238 4.289 4.527 0.001 0.000 0.299 182 F C 2.590 178.298 175.800 -0.154 0.000 1.097 182 F CA 1.695 59.507 58.000 -0.313 0.000 1.264 182 F CB -0.490 38.111 39.000 -0.666 0.000 1.001 182 F HN 0.043 nan 8.300 nan 0.000 0.479 183 E N 0.197 120.553 120.200 0.260 0.000 2.051 183 E HA -0.156 4.194 4.350 0.001 0.000 0.192 183 E C 2.216 178.974 176.600 0.263 0.000 0.991 183 E CA 1.828 58.449 56.400 0.368 0.000 0.799 183 E CB -0.400 29.504 29.700 0.340 0.000 0.748 183 E HN 0.154 nan 8.360 nan 0.000 0.449 184 S N -0.211 115.609 115.700 0.199 0.000 2.402 184 S HA -0.094 4.376 4.470 0.001 0.000 0.229 184 S C 1.807 176.609 174.600 0.336 0.000 1.021 184 S CA 1.160 59.478 58.200 0.196 0.000 0.974 184 S CB -0.165 63.032 63.200 -0.004 0.000 0.800 184 S HN 0.291 nan 8.310 nan 0.000 0.484 185 M N 1.453 121.226 119.600 0.288 0.000 2.086 185 M HA -0.095 4.385 4.480 0.001 0.000 0.261 185 M C 2.244 178.659 176.300 0.191 0.000 1.067 185 M CA 1.442 56.867 55.300 0.208 0.000 1.116 185 M CB -0.993 31.630 32.600 0.039 0.000 1.348 185 M HN 0.285 nan 8.290 nan 0.000 0.407 186 K N 0.427 120.964 120.400 0.227 0.000 2.002 186 K HA -0.122 4.199 4.320 0.001 0.000 0.209 186 K C 1.905 178.625 176.600 0.200 0.000 1.048 186 K CA 1.408 57.848 56.287 0.255 0.000 0.930 186 K CB -0.048 32.699 32.500 0.412 0.000 0.714 186 K HN 0.096 nan 8.250 nan 0.000 0.438 187 V N 2.327 122.363 119.914 0.203 0.000 2.392 187 V HA -0.220 3.901 4.120 0.001 0.000 0.249 187 V C 1.640 177.831 176.094 0.161 0.000 1.059 187 V CA 1.802 64.195 62.300 0.155 0.000 1.051 187 V CB -0.436 31.472 31.823 0.141 0.000 0.658 187 V HN 0.416 nan 8.190 nan 0.000 0.455 188 N N -0.289 118.543 118.700 0.220 0.000 2.322 188 N HA 0.102 4.842 4.740 0.001 0.000 0.194 188 N C 1.387 176.991 175.510 0.157 0.000 1.126 188 N CA 0.886 54.074 53.050 0.230 0.000 0.845 188 N CB 0.901 39.596 38.487 0.346 0.000 0.976 188 N HN 0.575 nan 8.380 nan 0.000 0.475 189 G N 1.312 110.191 108.800 0.131 0.000 2.198 189 G HA2 -0.254 3.707 3.960 0.001 0.000 0.260 189 G HA3 -0.254 3.707 3.960 0.001 0.000 0.260 189 G C 0.799 175.738 174.900 0.065 0.000 1.025 189 G CA 0.125 45.280 45.100 0.092 0.000 0.769 189 G HN 0.346 nan 8.290 nan 0.000 0.507 190 L N -1.469 119.791 121.223 0.061 0.000 2.307 190 L HA 0.385 4.726 4.340 0.001 0.000 0.211 190 L C 1.308 178.189 176.870 0.019 0.000 1.099 190 L CA 0.637 55.480 54.840 0.005 0.000 0.816 190 L CB 0.068 42.089 42.059 -0.064 0.000 0.952 190 L HN 0.231 nan 8.230 nan 0.000 0.455 191 L N 0.234 121.493 121.223 0.059 0.000 2.385 191 L HA 0.416 4.756 4.340 0.001 0.000 0.273 191 L C -0.787 176.148 176.870 0.109 0.000 0.990 191 L CA -0.431 54.456 54.840 0.077 0.000 0.821 191 L CB 2.300 44.410 42.059 0.085 0.000 1.279 191 L HN -0.071 nan 8.230 nan 0.000 0.412 192 K N 1.650 122.108 120.400 0.097 0.000 2.328 192 K HA 0.700 5.020 4.320 0.001 0.000 0.246 192 K C -0.443 176.219 176.600 0.102 0.000 0.955 192 K CA -0.668 55.678 56.287 0.098 0.000 0.817 192 K CB 2.227 34.769 32.500 0.070 0.000 1.208 192 K HN 0.617 nan 8.250 nan 0.000 0.432 193 A N 0.975 123.855 122.820 0.100 0.000 2.566 193 A HA 0.360 4.680 4.320 0.001 0.000 0.245 193 A C 1.183 178.810 177.584 0.072 0.000 1.056 193 A CA 1.385 53.476 52.037 0.090 0.000 0.757 193 A CB -1.080 17.963 19.000 0.072 0.000 0.979 193 A HN 0.954 nan 8.150 nan 0.000 0.508 194 G N 2.134 110.978 108.800 0.073 0.000 2.234 194 G HA2 -0.200 3.761 3.960 0.001 0.000 0.235 194 G HA3 -0.200 3.761 3.960 0.001 0.000 0.235 194 G C 0.073 175.009 174.900 0.061 0.000 0.997 194 G CA 0.265 45.401 45.100 0.060 0.000 0.623 194 G HN 0.838 nan 8.290 nan 0.000 0.514 195 D N 1.491 121.933 120.400 0.070 0.000 2.449 195 D HA 0.343 4.983 4.640 0.001 0.000 0.236 195 D C 0.770 177.116 176.300 0.077 0.000 1.149 195 D CA 0.527 54.568 54.000 0.068 0.000 0.878 195 D CB 0.541 41.385 40.800 0.074 0.000 1.198 195 D HN 0.381 nan 8.370 nan 0.000 0.446 196 K N 0.876 121.318 120.400 0.070 0.000 2.201 196 K HA 0.386 4.706 4.320 0.001 0.000 0.278 196 K C -0.741 175.920 176.600 0.102 0.000 1.027 196 K CA -0.718 55.617 56.287 0.079 0.000 0.909 196 K CB 1.577 34.114 32.500 0.062 0.000 1.062 196 K HN 0.102 nan 8.250 nan 0.000 0.465 197 V N 2.683 122.675 119.914 0.129 0.000 2.347 197 V HA 0.305 4.426 4.120 0.001 0.000 0.280 197 V C -0.027 176.183 176.094 0.193 0.000 1.021 197 V CA -0.953 61.454 62.300 0.179 0.000 0.847 197 V CB 1.250 33.206 31.823 0.223 0.000 0.990 197 V HN 0.877 nan 8.190 nan 0.000 0.444 198 A N 6.851 129.807 122.820 0.227 0.000 2.366 198 A HA 0.796 5.117 4.320 0.001 0.000 0.272 198 A C -0.390 177.409 177.584 0.358 0.000 1.135 198 A CA -0.215 51.971 52.037 0.249 0.000 0.804 198 A CB 0.076 19.200 19.000 0.206 0.000 1.064 198 A HN 0.798 nan 8.150 nan 0.000 0.499 199 I N 2.697 123.414 120.570 0.246 0.000 2.439 199 I HA 0.321 4.491 4.170 0.001 0.000 0.283 199 I C 0.896 177.087 176.117 0.124 0.000 1.023 199 I CA -0.587 60.810 61.300 0.162 0.000 1.100 199 I CB 1.873 39.942 38.000 0.116 0.000 1.238 199 I HN 0.752 nan 8.210 nan 0.000 0.445 200 G N 7.445 116.311 108.800 0.110 0.000 2.299 200 G HA2 0.394 4.354 3.960 0.001 0.000 0.256 200 G HA3 0.394 4.354 3.960 0.001 0.000 0.256 200 G C -0.379 174.638 174.900 0.195 0.000 1.259 200 G CA -0.076 45.070 45.100 0.077 0.000 0.943 200 G HN 0.515 nan 8.290 nan 0.000 0.479 201 M N 3.159 122.921 119.600 0.270 0.000 2.591 201 M HA 0.319 4.799 4.480 0.001 0.000 0.306 201 M C -2.462 173.951 176.300 0.188 0.000 1.190 201 M CA -2.013 53.379 55.300 0.153 0.000 0.889 201 M CB 3.142 35.754 32.600 0.020 0.000 1.728 201 M HN 0.177 nan 8.290 nan 0.000 0.458 202 P HA 0.146 nan 4.420 nan 0.000 0.267 202 P C -1.226 176.078 177.300 0.005 0.000 1.205 202 P CA -0.205 62.900 63.100 0.008 0.000 0.765 202 P CB 0.643 32.307 31.700 -0.060 0.000 0.828 203 V N 5.345 125.272 119.914 0.021 0.000 2.960 203 V HA 0.604 4.725 4.120 0.001 0.000 0.315 203 V C -0.624 175.533 176.094 0.105 0.000 1.087 203 V CA -1.074 61.260 62.300 0.058 0.000 0.982 203 V CB 1.292 33.159 31.823 0.073 0.000 1.039 203 V HN 0.413 nan 8.190 nan 0.000 0.437 204 F N 2.779 122.619 119.950 -0.183 0.000 2.444 204 F HA 0.416 4.943 4.527 0.001 0.000 0.331 204 F C 1.328 177.027 175.800 -0.167 0.000 1.167 204 F CA 0.072 57.948 58.000 -0.206 0.000 1.262 204 F CB -0.746 38.097 39.000 -0.262 0.000 1.196 204 F HN 0.585 nan 8.300 nan 0.000 0.583 205 T N 1.448 115.808 114.554 -0.324 0.000 2.624 205 T HA -0.128 4.223 4.350 0.001 0.000 0.268 205 T C -0.631 173.817 174.700 -0.421 0.000 1.041 205 T CA 2.441 64.357 62.100 -0.307 0.000 1.159 205 T CB -1.424 67.314 68.868 -0.217 0.000 0.863 205 T HN 0.522 nan 8.240 nan 0.000 0.434 206 P HA -0.136 nan 4.420 nan 0.000 0.217 206 P C 0.906 178.120 177.300 -0.144 0.000 1.151 206 P CA 1.174 63.953 63.100 -0.535 0.000 0.849 206 P CB -0.196 30.986 31.700 -0.864 0.000 0.787 207 Y N -1.447 118.695 120.300 -0.263 0.000 2.561 207 Y HA 0.052 4.602 4.550 0.001 0.000 0.291 207 Y C 2.127 178.058 175.900 0.051 0.000 1.141 207 Y CA -0.274 57.858 58.100 0.053 0.000 1.303 207 Y CB -1.240 37.277 38.460 0.095 0.000 1.015 207 Y HN 0.024 nan 8.280 nan 0.000 0.547 208 I N -0.674 119.960 120.570 0.107 0.000 2.500 208 I HA -0.163 4.008 4.170 0.001 0.000 0.252 208 I C 1.789 177.930 176.117 0.040 0.000 1.142 208 I CA 1.143 62.483 61.300 0.067 0.000 1.451 208 I CB -0.204 37.808 38.000 0.020 0.000 1.093 208 I HN 0.093 nan 8.210 nan 0.000 0.430 209 E N 1.183 121.389 120.200 0.010 0.000 2.170 209 E HA -0.041 4.310 4.350 0.001 0.000 0.191 209 E C 2.291 178.881 176.600 -0.017 0.000 0.981 209 E CA 0.779 57.175 56.400 -0.007 0.000 0.830 209 E CB 0.041 29.725 29.700 -0.026 0.000 0.775 209 E HN 0.455 nan 8.360 nan 0.000 0.470 210 I N 2.079 122.618 120.570 -0.052 0.000 2.208 210 I HA -0.196 3.974 4.170 0.001 0.000 0.245 210 I C -0.598 175.380 176.117 -0.232 0.000 1.097 210 I CA 1.008 62.209 61.300 -0.165 0.000 1.363 210 I CB -1.394 36.396 38.000 -0.350 0.000 1.051 210 I HN 0.115 nan 8.210 nan 0.000 0.413 211 P HA -0.126 nan 4.420 nan 0.000 0.220 211 P C 1.218 178.536 177.300 0.029 0.000 1.152 211 P CA 1.332 64.355 63.100 -0.128 0.000 0.812 211 P CB -0.084 31.591 31.700 -0.041 0.000 0.792 212 E N 0.008 120.222 120.200 0.023 0.000 2.409 212 E HA 0.005 4.356 4.350 0.001 0.000 0.198 212 E C 0.864 177.488 176.600 0.040 0.000 1.024 212 E CA 0.175 56.598 56.400 0.038 0.000 0.861 212 E CB -0.366 29.351 29.700 0.027 0.000 0.788 212 E HN 0.404 nan 8.360 nan 0.000 0.521 213 L N 0.521 121.777 121.223 0.054 0.000 2.490 213 L HA 0.001 4.342 4.340 0.001 0.000 0.274 213 L C 1.668 178.546 176.870 0.013 0.000 1.201 213 L CA -0.201 54.658 54.840 0.031 0.000 0.869 213 L CB 0.320 42.402 42.059 0.039 0.000 1.123 213 L HN -0.058 nan 8.230 nan 0.000 0.484 214 A N 2.407 125.215 122.820 -0.019 0.000 2.076 214 A HA -0.204 4.116 4.320 0.001 0.000 0.220 214 A C 2.128 179.664 177.584 -0.079 0.000 1.160 214 A CA 1.432 53.453 52.037 -0.027 0.000 0.653 214 A CB -0.488 18.496 19.000 -0.026 0.000 0.801 214 A HN 0.962 nan 8.150 nan 0.000 0.455 215 Q N -2.207 117.486 119.800 -0.178 0.000 2.234 215 Q HA -0.208 4.133 4.340 0.001 0.000 0.206 215 Q C 1.007 176.684 176.000 -0.538 0.000 0.980 215 Q CA 1.908 57.476 55.803 -0.392 0.000 0.869 215 Q CB -0.087 28.314 28.738 -0.562 0.000 0.912 215 Q HN 0.843 nan 8.270 nan 0.000 0.436 216 Y N -2.302 118.011 120.300 0.021 0.000 2.585 216 Y HA 0.417 4.968 4.550 0.001 0.000 0.272 216 Y C 0.830 176.754 175.900 0.040 0.000 1.119 216 Y CA 0.021 58.145 58.100 0.041 0.000 1.255 216 Y CB 0.212 38.693 38.460 0.035 0.000 1.284 216 Y HN 0.011 nan 8.280 nan 0.000 0.499 217 A N 1.067 123.975 122.820 0.148 0.000 2.687 217 A HA -0.227 4.094 4.320 0.001 0.000 0.299 217 A C -0.322 177.327 177.584 0.108 0.000 1.497 217 A CA 0.551 52.647 52.037 0.097 0.000 0.751 217 A CB -2.539 16.499 19.000 0.064 0.000 1.048 217 A HN 0.373 nan 8.150 nan 0.000 0.464 218 L N -0.608 120.690 121.223 0.125 0.000 2.399 218 L HA 0.606 4.947 4.340 0.001 0.000 0.265 218 L C 0.746 177.670 176.870 0.090 0.000 1.089 218 L CA -0.402 54.506 54.840 0.113 0.000 0.802 218 L CB 1.230 43.366 42.059 0.129 0.000 1.180 218 L HN 0.565 nan 8.230 nan 0.000 0.454 219 E N 1.479 121.731 120.200 0.086 0.000 2.166 219 E HA 0.245 4.595 4.350 0.001 0.000 0.275 219 E C -1.121 175.530 176.600 0.086 0.000 0.941 219 E CA -0.604 55.841 56.400 0.076 0.000 0.784 219 E CB 1.159 30.897 29.700 0.064 0.000 1.115 219 E HN 0.497 nan 8.360 nan 0.000 0.399 220 E N 2.345 122.594 120.200 0.082 0.000 2.283 220 E HA 0.280 4.630 4.350 0.001 0.000 0.278 220 E C -0.937 175.711 176.600 0.080 0.000 1.027 220 E CA -0.616 55.839 56.400 0.093 0.000 0.843 220 E CB 1.999 31.752 29.700 0.089 0.000 1.062 220 E HN 0.190 nan 8.360 nan 0.000 0.401 221 V N 2.367 122.333 119.914 0.087 0.000 2.409 221 V HA 0.366 4.486 4.120 0.001 0.000 0.291 221 V C -0.120 176.012 176.094 0.064 0.000 1.020 221 V CA -0.805 61.534 62.300 0.065 0.000 0.848 221 V CB 1.494 33.349 31.823 0.053 0.000 0.990 221 V HN 0.782 nan 8.190 nan 0.000 0.430 222 A N 6.755 129.601 122.820 0.042 0.000 2.354 222 A HA 0.631 4.952 4.320 0.001 0.000 0.281 222 A C -0.181 177.405 177.584 0.003 0.000 1.174 222 A CA -0.262 51.788 52.037 0.021 0.000 0.828 222 A CB -0.087 18.906 19.000 -0.013 0.000 1.099 222 A HN 0.632 nan 8.150 nan 0.000 0.516 223 I N 3.217 123.787 120.570 -0.001 0.000 2.287 223 I HA 0.128 4.298 4.170 0.001 0.000 0.290 223 I C -0.193 175.949 176.117 0.041 0.000 1.069 223 I CA -0.222 61.040 61.300 -0.062 0.000 1.237 223 I CB -0.236 37.626 38.000 -0.230 0.000 1.418 223 I HN 0.602 nan 8.210 nan 0.000 0.481 224 N N 4.326 123.074 118.700 0.080 0.000 2.422 224 N HA 0.467 5.208 4.740 0.001 0.000 0.264 224 N C 0.250 175.931 175.510 0.285 0.000 1.063 224 N CA -0.319 52.791 53.050 0.100 0.000 0.959 224 N CB 1.476 39.912 38.487 -0.086 0.000 1.087 224 N HN 0.731 nan 8.380 nan 0.000 0.483 225 A N 1.542 124.555 122.820 0.321 0.000 2.407 225 A HA 0.117 4.437 4.320 0.001 0.000 0.248 225 A C -0.182 177.444 177.584 0.069 0.000 1.082 225 A CA -0.046 52.075 52.037 0.139 0.000 0.785 225 A CB 0.331 19.360 19.000 0.049 0.000 1.020 225 A HN 0.609 nan 8.150 nan 0.000 0.489 226 D N 1.711 122.075 120.400 -0.059 0.000 2.349 226 D HA 0.425 5.066 4.640 0.001 0.000 0.232 226 D C -1.965 174.047 176.300 -0.481 0.000 1.071 226 D CA -1.959 51.935 54.000 -0.177 0.000 0.832 226 D CB 1.669 42.412 40.800 -0.095 0.000 1.086 226 D HN 0.079 nan 8.370 nan 0.000 0.504 227 P HA -0.066 nan 4.420 nan 0.000 0.220 227 P C 0.870 177.803 177.300 -0.613 0.000 1.148 227 P CA 0.918 63.279 63.100 -1.233 0.000 0.803 227 P CB 0.294 31.405 31.700 -0.981 0.000 0.782 228 A N -0.774 121.832 122.820 -0.356 0.000 2.015 228 A HA -0.059 4.262 4.320 0.001 0.000 0.219 228 A C 1.850 179.331 177.584 -0.173 0.000 1.163 228 A CA 1.053 52.965 52.037 -0.208 0.000 0.646 228 A CB -1.313 17.607 19.000 -0.133 0.000 0.806 228 A HN 0.169 nan 8.150 nan 0.000 0.448 229 L N -0.784 120.324 121.223 -0.192 0.000 2.685 229 L HA 0.133 4.473 4.340 0.001 0.000 0.233 229 L C 0.524 177.316 176.870 -0.128 0.000 1.173 229 L CA -0.106 54.658 54.840 -0.125 0.000 0.961 229 L CB -0.364 41.644 42.059 -0.085 0.000 1.217 229 L HN 0.440 nan 8.230 nan 0.000 0.478 230 N N 0.506 119.078 118.700 -0.213 0.000 2.758 230 N HA -0.261 4.479 4.740 0.001 0.000 0.248 230 N C -0.375 175.140 175.510 0.008 0.000 1.076 230 N CA 0.752 53.717 53.050 -0.141 0.000 0.696 230 N CB -1.215 37.272 38.487 -0.000 0.000 0.979 230 N HN 0.471 nan 8.380 nan 0.000 0.550 231 W N -3.025 118.231 121.300 -0.072 0.000 2.780 231 W HA -0.255 4.405 4.660 0.001 0.000 0.302 231 W C 0.452 176.828 176.519 -0.238 0.000 1.172 231 W CA 0.144 57.412 57.345 -0.128 0.000 0.574 231 W CB -1.879 27.513 29.460 -0.112 0.000 2.226 231 W HN 0.184 nan 8.180 nan 0.000 1.255 232 Q N 0.062 119.821 119.800 -0.068 0.000 2.312 232 Q HA 0.239 4.580 4.340 0.001 0.000 0.236 232 Q C -0.062 175.833 176.000 -0.175 0.000 0.965 232 Q CA -0.303 55.412 55.803 -0.147 0.000 0.894 232 Q CB 0.374 29.088 28.738 -0.040 0.000 1.225 232 Q HN 0.116 nan 8.270 nan 0.000 0.478 233 Y N 1.074 121.422 120.300 0.081 0.000 2.393 233 Y HA 0.221 4.771 4.550 0.001 0.000 0.338 233 Y C -1.731 174.181 175.900 0.020 0.000 1.029 233 Y CA -2.414 55.718 58.100 0.055 0.000 1.239 233 Y CB -0.159 38.341 38.460 0.066 0.000 1.170 233 Y HN 0.337 nan 8.280 nan 0.000 0.515 234 P HA -0.033 nan 4.420 nan 0.000 0.267 234 P C 0.405 177.739 177.300 0.056 0.000 1.200 234 P CA 0.065 63.208 63.100 0.071 0.000 0.772 234 P CB 0.956 32.685 31.700 0.048 0.000 0.855 235 D N 0.798 121.213 120.400 0.026 0.000 2.133 235 D HA -0.169 4.472 4.640 0.001 0.000 0.195 235 D C 1.833 178.120 176.300 -0.022 0.000 0.997 235 D CA 2.102 56.101 54.000 -0.002 0.000 0.840 235 D CB -0.564 40.231 40.800 -0.008 0.000 0.947 235 D HN 0.449 nan 8.370 nan 0.000 0.452 236 S N 0.632 116.326 115.700 -0.010 0.000 2.382 236 S HA -0.149 4.321 4.470 0.001 0.000 0.228 236 S C 1.747 176.332 174.600 -0.024 0.000 1.027 236 S CA 0.800 58.990 58.200 -0.018 0.000 0.991 236 S CB -0.128 63.070 63.200 -0.003 0.000 0.823 236 S HN 0.150 nan 8.310 nan 0.000 0.469 237 E N 1.543 121.739 120.200 -0.007 0.000 2.072 237 E HA 0.092 4.443 4.350 0.001 0.000 0.190 237 E C 2.170 178.711 176.600 -0.098 0.000 0.982 237 E CA 0.718 57.106 56.400 -0.019 0.000 0.803 237 E CB -0.425 29.303 29.700 0.045 0.000 0.755 237 E HN 0.543 nan 8.360 nan 0.000 0.453 238 L N 1.166 122.326 121.223 -0.105 0.000 2.141 238 L HA -0.163 4.177 4.340 0.001 0.000 0.209 238 L C 1.817 178.563 176.870 -0.206 0.000 1.094 238 L CA 0.843 55.559 54.840 -0.205 0.000 0.763 238 L CB -0.246 41.729 42.059 -0.140 0.000 0.908 238 L HN -0.046 nan 8.230 nan 0.000 0.437 239 D N 0.276 120.589 120.400 -0.144 0.000 2.263 239 D HA -0.149 4.492 4.640 0.001 0.000 0.208 239 D C 2.021 178.235 176.300 -0.143 0.000 0.971 239 D CA 0.803 54.712 54.000 -0.151 0.000 0.867 239 D CB -0.041 40.688 40.800 -0.120 0.000 0.929 239 D HN 0.233 nan 8.370 nan 0.000 0.492 240 K N 0.128 120.453 120.400 -0.125 0.000 2.293 240 K HA -0.117 4.203 4.320 0.001 0.000 0.204 240 K C 1.861 178.393 176.600 -0.114 0.000 1.045 240 K CA 0.521 56.748 56.287 -0.101 0.000 0.933 240 K CB -0.133 32.316 32.500 -0.086 0.000 0.736 240 K HN 0.250 nan 8.250 nan 0.000 0.463 241 L N 0.717 121.838 121.223 -0.170 0.000 2.456 241 L HA -0.138 4.203 4.340 0.001 0.000 0.224 241 L C 1.850 178.657 176.870 -0.105 0.000 1.148 241 L CA 0.905 55.649 54.840 -0.159 0.000 0.825 241 L CB -0.236 41.673 42.059 -0.249 0.000 0.937 241 L HN 0.109 nan 8.230 nan 0.000 0.450 242 K N -0.341 119.990 120.400 -0.115 0.000 2.288 242 K HA -0.110 4.211 4.320 0.001 0.000 0.201 242 K C 0.619 177.200 176.600 -0.033 0.000 1.048 242 K CA 0.272 56.506 56.287 -0.089 0.000 0.956 242 K CB -0.154 32.257 32.500 -0.150 0.000 0.746 242 K HN 0.122 nan 8.250 nan 0.000 0.461 243 D N 1.769 122.148 120.400 -0.034 0.000 2.426 243 D HA -0.036 4.605 4.640 0.001 0.000 0.261 243 D C -1.601 174.698 176.300 -0.002 0.000 1.245 243 D CA -1.744 52.249 54.000 -0.012 0.000 0.917 243 D CB 1.080 41.874 40.800 -0.010 0.000 1.123 243 D HN -0.000 nan 8.370 nan 0.000 0.508 244 P HA -0.047 nan 4.420 nan 0.000 0.230 244 P C 0.819 178.124 177.300 0.009 0.000 1.158 244 P CA 0.435 63.539 63.100 0.006 0.000 0.769 244 P CB 0.181 31.885 31.700 0.008 0.000 0.807 245 A N 0.124 122.952 122.820 0.013 0.000 2.066 245 A HA -0.007 4.313 4.320 0.001 0.000 0.218 245 A C 1.431 179.032 177.584 0.028 0.000 1.157 245 A CA 0.326 52.375 52.037 0.021 0.000 0.670 245 A CB -1.007 18.007 19.000 0.023 0.000 0.804 245 A HN 0.162 nan 8.150 nan 0.000 0.453 246 I N 0.876 121.461 120.570 0.025 0.000 2.406 246 I HA 0.053 4.223 4.170 0.001 0.000 0.293 246 I C 0.754 176.892 176.117 0.035 0.000 1.101 246 I CA -0.410 60.913 61.300 0.038 0.000 1.334 246 I CB 0.926 38.944 38.000 0.030 0.000 1.421 246 I HN 0.084 nan 8.210 nan 0.000 0.513 247 K N 5.803 126.230 120.400 0.044 0.000 2.262 247 K HA 0.322 4.643 4.320 0.001 0.000 0.200 247 K C 0.266 176.887 176.600 0.034 0.000 1.049 247 K CA 0.611 56.913 56.287 0.025 0.000 0.979 247 K CB 0.709 33.222 32.500 0.021 0.000 0.773 247 K HN 0.544 nan 8.250 nan 0.000 0.474 248 I N -0.194 120.426 120.570 0.082 0.000 2.656 248 I HA 0.266 4.437 4.170 0.001 0.000 0.292 248 I C -1.647 174.611 176.117 0.236 0.000 1.144 248 I CA -1.189 60.182 61.300 0.117 0.000 1.038 248 I CB 1.674 39.708 38.000 0.056 0.000 1.244 248 I HN -0.223 nan 8.210 nan 0.000 0.420 249 F N 8.768 128.763 119.950 0.075 0.000 2.391 249 F HA 0.509 5.037 4.527 0.001 0.000 0.359 249 F C -1.555 174.370 175.800 0.209 0.000 1.122 249 F CA -1.011 57.051 58.000 0.103 0.000 1.120 249 F CB 1.027 40.057 39.000 0.049 0.000 1.142 249 F HN 0.294 nan 8.300 nan 0.000 0.483 250 F N 7.865 127.662 119.950 -0.254 0.000 2.402 250 F HA 0.584 5.111 4.527 0.001 0.000 0.355 250 F C -0.890 174.622 175.800 -0.481 0.000 1.123 250 F CA -1.716 56.110 58.000 -0.290 0.000 1.021 250 F CB 0.529 39.512 39.000 -0.029 0.000 1.160 250 F HN 0.684 nan 8.300 nan 0.000 0.451 251 C N 4.641 123.684 119.300 -0.429 0.000 2.880 251 C HA 0.825 5.286 4.460 0.001 0.000 0.320 251 C C -0.978 173.921 174.990 -0.152 0.000 1.176 251 C CA -1.073 57.692 59.018 -0.422 0.000 1.390 251 C CB 0.659 28.068 27.740 -0.551 0.000 1.846 251 C HN 0.570 nan 8.230 nan 0.000 0.478 252 V N 3.501 123.378 119.914 -0.063 0.000 2.385 252 V HA 0.497 4.618 4.120 0.001 0.000 0.269 252 V C -0.151 176.007 176.094 0.106 0.000 1.043 252 V CA 0.506 62.834 62.300 0.046 0.000 0.906 252 V CB 0.872 32.706 31.823 0.018 0.000 0.995 252 V HN 0.925 nan 8.190 nan 0.000 0.467 253 N N 6.568 125.359 118.700 0.153 0.000 2.533 253 N HA 0.472 5.212 4.740 0.001 0.000 0.289 253 N C -3.109 172.519 175.510 0.197 0.000 1.103 253 N CA -1.570 51.620 53.050 0.234 0.000 0.877 253 N CB 2.944 41.627 38.487 0.326 0.000 1.419 253 N HN 0.210 nan 8.380 nan 0.000 0.517 254 P HA 0.068 nan 4.420 nan 0.000 0.267 254 P C -0.341 176.997 177.300 0.063 0.000 1.200 254 P CA -0.143 63.010 63.100 0.089 0.000 0.772 254 P CB 0.475 32.178 31.700 0.006 0.000 0.855 255 S N 1.583 117.287 115.700 0.008 0.000 2.600 255 S HA 0.324 4.794 4.470 0.001 0.000 0.265 255 S C 0.011 174.496 174.600 -0.192 0.000 1.325 255 S CA -0.264 57.906 58.200 -0.049 0.000 1.002 255 S CB 0.123 63.290 63.200 -0.055 0.000 0.921 255 S HN 0.537 nan 8.310 nan 0.000 0.554 256 N N 0.814 119.377 118.700 -0.228 0.000 2.503 256 N HA 0.371 5.111 4.740 0.001 0.000 0.287 256 N C -2.383 172.933 175.510 -0.323 0.000 1.096 256 N CA -2.018 50.793 53.050 -0.399 0.000 0.936 256 N CB 1.929 40.168 38.487 -0.413 0.000 1.570 256 N HN 0.292 nan 8.380 nan 0.000 0.504 257 P HA 0.129 nan 4.420 nan 0.000 0.219 257 P C -1.500 175.493 177.300 -0.512 0.000 1.150 257 P CA 0.950 63.719 63.100 -0.552 0.000 0.814 257 P CB -0.321 31.113 31.700 -0.443 0.000 0.787 258 P HA -0.061 nan 4.420 nan 0.000 0.219 258 P C 0.550 177.625 177.300 -0.374 0.000 1.146 258 P CA 1.451 64.182 63.100 -0.616 0.000 0.808 258 P CB -0.424 30.884 31.700 -0.653 0.000 0.779 259 S N -1.681 113.862 115.700 -0.263 0.000 3.783 259 S HA -0.071 4.400 4.470 0.001 0.000 0.360 259 S C 0.042 174.586 174.600 -0.094 0.000 1.006 259 S CA 0.317 58.411 58.200 -0.176 0.000 1.115 259 S CB -1.978 61.166 63.200 -0.093 0.000 0.893 259 S HN 0.168 nan 8.310 nan 0.000 0.475 260 V N -0.471 119.407 119.914 -0.059 0.000 2.914 260 V HA 0.885 5.005 4.120 0.001 0.000 0.314 260 V C -0.175 175.955 176.094 0.061 0.000 1.084 260 V CA -0.718 61.593 62.300 0.018 0.000 0.963 260 V CB 1.939 33.795 31.823 0.055 0.000 1.025 260 V HN 0.575 nan 8.190 nan 0.000 0.432 261 K N 3.233 123.705 120.400 0.120 0.000 2.118 261 K HA 0.659 4.979 4.320 0.001 0.000 0.267 261 K C -0.275 176.428 176.600 0.172 0.000 0.991 261 K CA -0.780 55.640 56.287 0.222 0.000 0.916 261 K CB 1.579 34.291 32.500 0.354 0.000 1.041 261 K HN 0.755 nan 8.250 nan 0.000 0.455 262 M N 4.063 123.787 119.600 0.207 0.000 2.269 262 M HA -0.042 4.438 4.480 0.001 0.000 0.350 262 M C -0.155 176.210 176.300 0.109 0.000 1.429 262 M CA 0.059 55.457 55.300 0.164 0.000 1.063 262 M CB 0.117 32.854 32.600 0.228 0.000 1.841 262 M HN 0.815 nan 8.290 nan 0.000 0.455 263 D N 1.775 122.224 120.400 0.082 0.000 2.393 263 D HA -0.006 4.635 4.640 0.001 0.000 0.246 263 D C 0.681 177.006 176.300 0.041 0.000 1.275 263 D CA -0.337 53.695 54.000 0.054 0.000 0.979 263 D CB 0.466 41.291 40.800 0.042 0.000 1.101 263 D HN 0.672 nan 8.370 nan 0.000 0.505 264 E N -0.812 119.402 120.200 0.024 0.000 2.085 264 E HA -0.276 4.074 4.350 0.001 0.000 0.194 264 E C 2.034 178.645 176.600 0.019 0.000 0.994 264 E CA 1.073 57.480 56.400 0.012 0.000 0.801 264 E CB 0.053 29.756 29.700 0.006 0.000 0.743 264 E HN 0.480 nan 8.360 nan 0.000 0.453 265 R N 0.077 120.592 120.500 0.024 0.000 2.073 265 R HA -0.126 4.215 4.340 0.001 0.000 0.234 265 R C 2.291 178.613 176.300 0.037 0.000 1.134 265 R CA 1.858 57.972 56.100 0.024 0.000 0.952 265 R CB -0.259 30.054 30.300 0.022 0.000 0.850 265 R HN 0.080 nan 8.270 nan 0.000 0.433 266 S N 1.216 116.952 115.700 0.061 0.000 2.356 266 S HA -0.112 4.358 4.470 0.001 0.000 0.223 266 S C 1.973 176.626 174.600 0.088 0.000 1.032 266 S CA 1.377 59.635 58.200 0.097 0.000 1.005 266 S CB -0.230 63.068 63.200 0.163 0.000 0.867 266 S HN 0.280 nan 8.310 nan 0.000 0.449 267 L N 1.112 122.380 121.223 0.074 0.000 2.046 267 L HA -0.125 4.215 4.340 0.001 0.000 0.208 267 L C 2.702 179.592 176.870 0.033 0.000 1.077 267 L CA 1.357 56.232 54.840 0.058 0.000 0.747 267 L CB -0.512 41.562 42.059 0.025 0.000 0.896 267 L HN 0.241 nan 8.230 nan 0.000 0.432 268 E N 0.546 120.758 120.200 0.020 0.000 2.077 268 E HA -0.254 4.096 4.350 0.001 0.000 0.193 268 E C 2.179 178.784 176.600 0.007 0.000 0.989 268 E CA 1.258 57.663 56.400 0.009 0.000 0.800 268 E CB -0.035 29.668 29.700 0.006 0.000 0.746 268 E HN 0.104 nan 8.360 nan 0.000 0.452 269 R N -0.202 120.304 120.500 0.009 0.000 2.083 269 R HA -0.071 4.269 4.340 0.001 0.000 0.237 269 R C 2.278 178.564 176.300 -0.022 0.000 1.137 269 R CA 1.684 57.779 56.100 -0.008 0.000 0.951 269 R CB -0.863 29.432 30.300 -0.008 0.000 0.851 269 R HN 0.179 nan 8.270 nan 0.000 0.434 270 V N 0.997 120.905 119.914 -0.010 0.000 2.287 270 V HA -0.253 3.868 4.120 0.001 0.000 0.248 270 V C 2.564 178.659 176.094 0.000 0.000 1.053 270 V CA 2.240 64.531 62.300 -0.015 0.000 1.027 270 V CB -0.649 31.199 31.823 0.042 0.000 0.646 270 V HN 0.397 nan 8.190 nan 0.000 0.447 271 R N 0.095 120.601 120.500 0.010 0.000 2.096 271 R HA -0.216 4.124 4.340 0.001 0.000 0.240 271 R C 2.453 178.754 176.300 0.002 0.000 1.139 271 R CA 1.938 58.039 56.100 0.002 0.000 0.952 271 R CB -0.200 30.098 30.300 -0.003 0.000 0.854 271 R HN 0.463 nan 8.270 nan 0.000 0.436 272 K N 0.100 120.503 120.400 0.005 0.000 2.057 272 K HA -0.093 4.228 4.320 0.001 0.000 0.206 272 K C 2.187 178.818 176.600 0.051 0.000 1.050 272 K CA 1.398 57.699 56.287 0.022 0.000 0.935 272 K CB -0.135 32.377 32.500 0.020 0.000 0.715 272 K HN 0.234 nan 8.250 nan 0.000 0.439 273 I N 0.734 121.313 120.570 0.014 0.000 2.163 273 I HA -0.305 3.866 4.170 0.001 0.000 0.243 273 I C 2.252 178.396 176.117 0.046 0.000 1.085 273 I CA 1.157 62.459 61.300 0.003 0.000 1.347 273 I CB -0.281 37.664 38.000 -0.093 0.000 1.044 273 I HN -0.061 nan 8.210 nan 0.000 0.408 274 V N 0.848 120.770 119.914 0.014 0.000 2.307 274 V HA -0.281 3.839 4.120 0.001 0.000 0.245 274 V C 2.648 178.745 176.094 0.005 0.000 1.045 274 V CA 2.047 64.351 62.300 0.005 0.000 1.024 274 V CB -0.982 30.837 31.823 -0.006 0.000 0.651 274 V HN 0.494 nan 8.190 nan 0.000 0.449 275 A N -0.126 122.697 122.820 0.006 0.000 1.855 275 A HA -0.214 4.107 4.320 0.001 0.000 0.215 275 A C 2.162 179.743 177.584 -0.006 0.000 1.191 275 A CA 1.827 53.859 52.037 -0.008 0.000 0.613 275 A CB -0.475 18.519 19.000 -0.011 0.000 0.829 275 A HN 0.627 nan 8.150 nan 0.000 0.442 276 E N -1.515 118.704 120.200 0.033 0.000 2.072 276 E HA -0.161 4.189 4.350 0.001 0.000 0.191 276 E C 1.681 178.186 176.600 -0.158 0.000 0.985 276 E CA 1.578 57.971 56.400 -0.012 0.000 0.801 276 E CB -0.143 29.586 29.700 0.049 0.000 0.750 276 E HN 0.840 nan 8.360 nan 0.000 0.452 277 H N -1.624 117.424 119.070 -0.035 0.000 2.927 277 H HA 0.284 4.841 4.556 0.001 0.000 0.255 277 H C 0.147 175.451 175.328 -0.039 0.000 0.974 277 H CA 0.002 56.029 56.048 -0.035 0.000 1.199 277 H CB 0.931 30.671 29.762 -0.036 0.000 1.447 277 H HN -0.203 nan 8.280 nan 0.000 0.467 278 R N 1.530 122.081 120.500 0.085 0.000 2.674 278 R HA 0.194 4.535 4.340 0.001 0.000 0.270 278 R C -2.392 173.899 176.300 -0.016 0.000 1.492 278 R CA -1.281 54.832 56.100 0.023 0.000 1.624 278 R CB 0.654 30.962 30.300 0.014 0.000 1.307 278 R HN 0.254 nan 8.270 nan 0.000 0.683 279 P HA -0.123 nan 4.420 nan 0.000 0.231 279 P C 0.429 177.678 177.300 -0.086 0.000 1.158 279 P CA 1.091 64.157 63.100 -0.056 0.000 0.763 279 P CB 0.326 31.992 31.700 -0.056 0.000 0.805 280 D N -1.061 119.291 120.400 -0.080 0.000 2.367 280 D HA -0.013 4.627 4.640 0.001 0.000 0.207 280 D C 0.798 177.021 176.300 -0.128 0.000 1.034 280 D CA -0.275 53.658 54.000 -0.111 0.000 0.861 280 D CB -0.625 40.127 40.800 -0.081 0.000 0.943 280 D HN 0.102 nan 8.370 nan 0.000 0.515 281 L N 1.624 122.795 121.223 -0.086 0.000 2.534 281 L HA 0.161 4.501 4.340 0.001 0.000 0.271 281 L C 0.024 176.836 176.870 -0.098 0.000 1.178 281 L CA 0.076 54.881 54.840 -0.060 0.000 0.907 281 L CB 0.352 42.404 42.059 -0.012 0.000 1.164 281 L HN -0.088 nan 8.230 nan 0.000 0.482 282 M N 6.273 125.807 119.600 -0.110 0.000 2.235 282 M HA 0.348 4.828 4.480 0.001 0.000 0.351 282 M C -0.540 175.815 176.300 0.091 0.000 1.178 282 M CA 0.194 55.424 55.300 -0.118 0.000 1.143 282 M CB 0.844 33.387 32.600 -0.096 0.000 1.530 282 M HN 0.481 nan 8.290 nan 0.000 0.461 283 I N 3.403 124.084 120.570 0.185 0.000 2.436 283 I HA 0.357 4.527 4.170 0.001 0.000 0.289 283 I C -1.203 175.034 176.117 0.200 0.000 1.010 283 I CA -0.843 60.584 61.300 0.213 0.000 1.098 283 I CB 1.957 40.097 38.000 0.233 0.000 1.266 283 I HN 0.438 nan 8.210 nan 0.000 0.434 284 L N 6.274 127.555 121.223 0.098 0.000 2.316 284 L HA 0.549 4.890 4.340 0.001 0.000 0.280 284 L C -0.404 176.543 176.870 0.129 0.000 1.006 284 L CA 0.189 55.057 54.840 0.047 0.000 0.836 284 L CB 1.448 43.392 42.059 -0.190 0.000 1.221 284 L HN 0.572 nan 8.230 nan 0.000 0.418 285 T N 2.967 117.598 114.554 0.129 0.000 2.824 285 T HA 0.378 4.729 4.350 0.001 0.000 0.282 285 T C -1.272 173.523 174.700 0.159 0.000 0.993 285 T CA -0.518 61.664 62.100 0.137 0.000 0.967 285 T CB 0.683 69.645 68.868 0.157 0.000 0.960 285 T HN 0.618 nan 8.240 nan 0.000 0.441 286 D N 3.637 124.137 120.400 0.166 0.000 2.427 286 D HA 0.315 4.956 4.640 0.001 0.000 0.226 286 D C -0.621 175.741 176.300 0.104 0.000 1.076 286 D CA -0.511 53.581 54.000 0.153 0.000 0.849 286 D CB 1.124 42.069 40.800 0.241 0.000 1.052 286 D HN 0.418 nan 8.370 nan 0.000 0.515 287 D N 3.360 123.817 120.400 0.096 0.000 2.755 287 D HA 0.018 4.658 4.640 0.001 0.000 0.257 287 D C 1.683 177.951 176.300 -0.053 0.000 1.291 287 D CA -0.301 53.745 54.000 0.077 0.000 0.836 287 D CB 0.924 41.877 40.800 0.255 0.000 1.059 287 D HN 0.213 nan 8.370 nan 0.000 0.486 288 V N -0.124 119.638 119.914 -0.254 0.000 2.469 288 V HA -0.268 3.852 4.120 0.001 0.000 0.251 288 V C 0.847 176.648 176.094 -0.489 0.000 1.064 288 V CA 1.757 63.730 62.300 -0.544 0.000 1.066 288 V CB -0.322 31.086 31.823 -0.691 0.000 0.667 288 V HN 0.314 nan 8.190 nan 0.000 0.461 289 Y N 0.717 120.904 120.300 -0.189 0.000 2.466 289 Y HA 0.338 4.888 4.550 0.001 0.000 0.272 289 Y C 2.235 178.019 175.900 -0.193 0.000 1.169 289 Y CA 0.208 58.246 58.100 -0.103 0.000 1.285 289 Y CB -0.784 37.556 38.460 -0.202 0.000 1.078 289 Y HN 0.267 nan 8.280 nan 0.000 0.523 290 G N 0.449 109.009 108.800 -0.399 0.000 2.513 290 G HA2 -0.375 3.586 3.960 0.001 0.000 0.219 290 G HA3 -0.375 3.586 3.960 0.001 0.000 0.219 290 G C 1.805 176.403 174.900 -0.502 0.000 1.160 290 G CA 1.941 46.458 45.100 -0.972 0.000 0.767 290 G HN 0.448 nan 8.290 nan 0.000 0.571 291 T N -1.701 112.569 114.554 -0.473 0.000 3.007 291 T HA 0.036 4.387 4.350 0.001 0.000 0.270 291 T C 1.878 176.220 174.700 -0.596 0.000 1.107 291 T CA 0.796 62.479 62.100 -0.695 0.000 1.118 291 T CB -0.346 67.605 68.868 -1.529 0.000 0.889 291 T HN 0.192 nan 8.240 nan 0.000 0.506 292 F N 1.961 121.798 119.950 -0.188 0.000 2.743 292 F HA 0.557 5.084 4.527 0.001 0.000 0.297 292 F C 1.662 177.443 175.800 -0.031 0.000 1.131 292 F CA -0.579 57.394 58.000 -0.046 0.000 1.426 292 F CB -0.302 38.746 39.000 0.079 0.000 1.116 292 F HN 0.256 nan 8.300 nan 0.000 0.583 293 A N -0.418 122.449 122.820 0.079 0.000 2.271 293 A HA 0.376 4.697 4.320 0.001 0.000 0.288 293 A C -0.429 177.208 177.584 0.088 0.000 1.094 293 A CA -0.658 51.439 52.037 0.099 0.000 0.828 293 A CB 0.229 19.318 19.000 0.148 0.000 1.091 293 A HN -0.019 nan 8.150 nan 0.000 0.493 294 D N 0.707 121.165 120.400 0.097 0.000 2.295 294 D HA 0.433 5.074 4.640 0.001 0.000 0.248 294 D C 0.935 177.292 176.300 0.095 0.000 1.154 294 D CA 1.416 55.465 54.000 0.082 0.000 0.857 294 D CB 0.854 41.692 40.800 0.064 0.000 1.117 294 D HN 1.085 nan 8.370 nan 0.000 0.468 295 G N 2.736 111.584 108.800 0.081 0.000 2.350 295 G HA2 -0.304 3.657 3.960 0.001 0.000 0.298 295 G HA3 -0.304 3.657 3.960 0.001 0.000 0.298 295 G C 0.132 175.088 174.900 0.092 0.000 1.037 295 G CA -0.313 44.827 45.100 0.066 0.000 1.074 295 G HN 0.450 nan 8.290 nan 0.000 0.511 296 F N 0.257 120.194 119.950 -0.021 0.000 2.563 296 F HA 0.498 5.026 4.527 0.001 0.000 0.363 296 F C 0.526 176.322 175.800 -0.006 0.000 1.123 296 F CA 0.166 58.161 58.000 -0.009 0.000 1.307 296 F CB 0.897 39.884 39.000 -0.022 0.000 1.115 296 F HN 0.374 nan 8.300 nan 0.000 0.592 297 Q N 4.525 123.752 119.800 -0.954 0.000 2.292 297 Q HA 0.301 4.642 4.340 0.001 0.000 0.270 297 Q C -1.021 174.336 176.000 -1.073 0.000 1.024 297 Q CA -0.709 54.640 55.803 -0.755 0.000 0.768 297 Q CB 1.748 30.288 28.738 -0.330 0.000 1.250 297 Q HN 0.790 nan 8.270 nan 0.000 0.447 298 S N 2.800 118.095 115.700 -0.676 0.000 2.592 298 S HA 0.244 4.715 4.470 0.001 0.000 0.271 298 S C 1.171 175.748 174.600 -0.038 0.000 1.326 298 S CA -0.351 57.706 58.200 -0.238 0.000 1.024 298 S CB 0.549 63.839 63.200 0.150 0.000 0.921 298 S HN 0.794 nan 8.310 nan 0.000 0.527 299 L N 3.021 124.301 121.223 0.095 0.000 2.191 299 L HA -0.036 4.305 4.340 0.001 0.000 0.212 299 L C 1.989 178.952 176.870 0.156 0.000 1.103 299 L CA 1.042 55.959 54.840 0.129 0.000 0.769 299 L CB -0.462 41.710 42.059 0.188 0.000 0.908 299 L HN 0.788 nan 8.230 nan 0.000 0.438 300 F N 0.762 120.756 119.950 0.073 0.000 2.134 300 F HA -0.258 4.269 4.527 0.001 0.000 0.299 300 F C 2.394 178.228 175.800 0.057 0.000 1.097 300 F CA 1.264 59.314 58.000 0.084 0.000 1.264 300 F CB -0.239 38.820 39.000 0.099 0.000 1.001 300 F HN 0.026 nan 8.300 nan 0.000 0.479 301 A N 0.358 123.189 122.820 0.019 0.000 1.933 301 A HA -0.119 4.201 4.320 0.001 0.000 0.218 301 A C 2.166 179.683 177.584 -0.112 0.000 1.175 301 A CA 1.758 53.749 52.037 -0.076 0.000 0.628 301 A CB -0.802 18.176 19.000 -0.037 0.000 0.814 301 A HN 0.387 nan 8.150 nan 0.000 0.444 302 I N -1.029 119.497 120.570 -0.073 0.000 2.400 302 I HA -0.063 4.107 4.170 0.001 0.000 0.248 302 I C 0.544 176.618 176.117 -0.071 0.000 1.109 302 I CA 0.884 62.150 61.300 -0.058 0.000 1.425 302 I CB -1.088 36.899 38.000 -0.022 0.000 1.094 302 I HN 0.262 nan 8.210 nan 0.000 0.425 303 C N 3.092 122.351 119.300 -0.069 0.000 3.276 303 C HA 0.279 4.739 4.460 0.001 0.000 0.226 303 C C -0.806 174.104 174.990 -0.134 0.000 1.502 303 C CA -0.902 58.071 59.018 -0.075 0.000 1.488 303 C CB -0.012 27.726 27.740 -0.004 0.000 2.014 303 C HN 0.254 nan 8.230 nan 0.000 0.492 304 P HA -0.145 nan 4.420 nan 0.000 0.216 304 P C 1.555 178.745 177.300 -0.183 0.000 1.150 304 P CA 1.940 64.738 63.100 -0.502 0.000 0.837 304 P CB 0.270 31.640 31.700 -0.550 0.000 0.786 305 A N -0.050 122.642 122.820 -0.213 0.000 2.070 305 A HA -0.140 4.180 4.320 0.001 0.000 0.220 305 A C 2.067 179.643 177.584 -0.014 0.000 1.159 305 A CA 1.354 53.314 52.037 -0.128 0.000 0.656 305 A CB -1.061 17.822 19.000 -0.195 0.000 0.800 305 A HN 0.216 nan 8.150 nan 0.000 0.453 306 N N -0.869 117.827 118.700 -0.006 0.000 2.254 306 N HA 0.025 4.765 4.740 0.001 0.000 0.190 306 N C -0.585 175.029 175.510 0.173 0.000 1.107 306 N CA 0.333 53.364 53.050 -0.033 0.000 0.869 306 N CB 0.610 39.066 38.487 -0.052 0.000 0.983 306 N HN 0.283 nan 8.380 nan 0.000 0.487 307 T N 1.394 116.165 114.554 0.362 0.000 2.807 307 T HA 0.442 4.793 4.350 0.001 0.000 0.279 307 T C 0.012 175.050 174.700 0.564 0.000 0.993 307 T CA -0.428 61.955 62.100 0.472 0.000 0.970 307 T CB 2.182 71.310 68.868 0.432 0.000 0.950 307 T HN -0.056 nan 8.240 nan 0.000 0.441 308 L N 3.651 125.084 121.223 0.349 0.000 2.257 308 L HA 0.475 4.816 4.340 0.001 0.000 0.290 308 L C -0.512 176.403 176.870 0.074 0.000 1.044 308 L CA -0.978 53.913 54.840 0.085 0.000 0.810 308 L CB 1.124 43.087 42.059 -0.159 0.000 1.193 308 L HN 0.407 nan 8.230 nan 0.000 0.425 309 L N 5.513 126.709 121.223 -0.045 0.000 2.276 309 L HA 0.434 4.774 4.340 0.001 0.000 0.286 309 L C -0.500 176.349 176.870 -0.036 0.000 1.061 309 L CA -0.005 54.788 54.840 -0.077 0.000 0.807 309 L CB 1.534 43.376 42.059 -0.361 0.000 1.177 309 L HN 0.230 nan 8.230 nan 0.000 0.429 310 V N 6.523 126.461 119.914 0.040 0.000 2.347 310 V HA 0.302 4.422 4.120 0.001 0.000 0.280 310 V C -0.978 175.184 176.094 0.112 0.000 1.021 310 V CA -0.485 61.850 62.300 0.060 0.000 0.847 310 V CB 0.864 32.720 31.823 0.056 0.000 0.990 310 V HN 0.694 nan 8.190 nan 0.000 0.444 311 Y N 4.060 124.359 120.300 -0.002 0.000 2.350 311 Y HA 0.617 5.167 4.550 0.000 0.000 0.338 311 Y C 0.145 176.068 175.900 0.038 0.000 0.961 311 Y CA -0.286 57.803 58.100 -0.019 0.000 1.100 311 Y CB 2.000 40.426 38.460 -0.058 0.000 1.179 311 Y HN 0.583 nan 8.280 nan 0.000 0.454 312 S N 5.038 120.295 115.700 -0.737 0.000 2.475 312 S HA 0.374 4.845 4.470 0.001 0.000 0.298 312 S C 0.068 174.265 174.600 -0.672 0.000 1.119 312 S CA -0.511 57.430 58.200 -0.432 0.000 1.085 312 S CB 0.377 63.415 63.200 -0.271 0.000 1.028 312 S HN 0.719 nan 8.310 nan 0.000 0.489 313 F N 2.446 122.308 119.950 -0.146 0.000 2.789 313 F HA 0.106 4.634 4.527 0.001 0.000 0.300 313 F C 2.449 178.324 175.800 0.124 0.000 1.132 313 F CA -0.015 58.074 58.000 0.149 0.000 1.404 313 F CB 0.092 39.202 39.000 0.183 0.000 1.114 313 F HN 0.526 nan 8.300 nan 0.000 0.584 314 S N 0.282 116.066 115.700 0.140 0.000 2.353 314 S HA -0.183 4.287 4.470 0.001 0.000 0.222 314 S C 2.151 176.819 174.600 0.114 0.000 1.035 314 S CA 1.280 59.544 58.200 0.107 0.000 1.025 314 S CB -0.109 63.108 63.200 0.028 0.000 0.902 314 S HN 0.228 nan 8.310 nan 0.000 0.440 315 K N 0.185 120.628 120.400 0.072 0.000 2.076 315 K HA 0.071 4.391 4.320 0.001 0.000 0.204 315 K C 1.936 178.865 176.600 0.548 0.000 1.051 315 K CA 0.906 57.311 56.287 0.197 0.000 0.949 315 K CB -0.751 31.721 32.500 -0.046 0.000 0.726 315 K HN 0.418 nan 8.250 nan 0.000 0.443 316 Y N 0.579 121.046 120.300 0.279 0.000 2.242 316 Y HA -0.108 4.443 4.550 0.002 0.000 0.291 316 Y C 1.486 177.374 175.900 -0.020 0.000 1.137 316 Y CA 1.103 59.238 58.100 0.059 0.000 1.181 316 Y CB -0.218 38.008 38.460 -0.389 0.000 0.989 316 Y HN -0.100 nan 8.280 nan 0.000 0.527 317 F N -0.327 119.682 119.950 0.098 0.000 2.727 317 F HA 0.338 4.866 4.527 0.000 0.000 0.302 317 F C 1.700 177.468 175.800 -0.054 0.000 1.097 317 F CA 0.402 58.262 58.000 -0.234 0.000 1.330 317 F CB -0.170 38.208 39.000 -1.037 0.000 1.084 317 F HN 0.049 nan 8.300 nan 0.000 0.578 318 G N 1.348 110.294 108.800 0.243 0.000 2.333 318 G HA2 -0.092 3.869 3.960 0.001 0.000 0.296 318 G HA3 -0.092 3.869 3.960 0.001 0.000 0.296 318 G C 0.467 175.444 174.900 0.127 0.000 1.059 318 G CA 0.307 45.481 45.100 0.123 0.000 1.050 318 G HN 0.663 nan 8.290 nan 0.000 0.508 319 A N -0.190 122.714 122.820 0.141 0.000 2.643 319 A HA 0.637 4.958 4.320 0.001 0.000 0.295 319 A C 1.879 179.605 177.584 0.238 0.000 1.065 319 A CA 1.276 53.462 52.037 0.248 0.000 0.986 319 A CB -0.159 18.932 19.000 0.151 0.000 1.212 319 A HN 1.389 nan 8.150 nan 0.000 0.516 320 T N -2.943 111.692 114.554 0.135 0.000 2.737 320 T HA -0.149 4.201 4.350 0.001 0.000 0.269 320 T C 1.816 176.568 174.700 0.086 0.000 1.040 320 T CA 1.998 64.152 62.100 0.090 0.000 1.142 320 T CB -0.540 68.352 68.868 0.040 0.000 0.861 320 T HN 0.523 nan 8.240 nan 0.000 0.456 321 G N -0.841 107.998 108.800 0.064 0.000 2.572 321 G HA2 0.005 3.966 3.960 0.001 0.000 0.216 321 G HA3 0.005 3.966 3.960 0.001 0.000 0.216 321 G C 1.115 175.980 174.900 -0.058 0.000 1.133 321 G CA -0.092 44.993 45.100 -0.024 0.000 0.791 321 G HN 0.630 nan 8.290 nan 0.000 0.538 322 W N 0.409 121.716 121.300 0.013 0.000 2.518 322 W HA 0.184 4.844 4.660 -0.001 0.000 0.273 322 W C 0.655 177.170 176.519 -0.007 0.000 1.247 322 W CA -0.014 57.328 57.345 -0.005 0.000 1.288 322 W CB 0.449 29.922 29.460 0.022 0.000 1.107 322 W HN -0.014 nan 8.180 nan 0.000 0.586 323 R N 0.362 120.996 120.500 0.224 0.000 3.084 323 R HA -0.186 4.154 4.340 0.001 0.000 0.258 323 R C -1.283 175.098 176.300 0.136 0.000 0.914 323 R CA 0.759 56.940 56.100 0.135 0.000 0.646 323 R CB -2.924 27.424 30.300 0.080 0.000 1.330 323 R HN 0.277 nan 8.270 nan 0.000 0.465 324 L N 0.475 121.788 121.223 0.150 0.000 2.342 324 L HA 0.757 5.097 4.340 0.001 0.000 0.276 324 L C 0.862 177.855 176.870 0.205 0.000 0.997 324 L CA -0.522 54.378 54.840 0.099 0.000 0.838 324 L CB 2.241 44.296 42.059 -0.006 0.000 1.224 324 L HN 0.503 nan 8.230 nan 0.000 0.416 325 G N 1.955 110.847 108.800 0.154 0.000 2.690 325 G HA2 0.729 4.689 3.960 0.001 0.000 0.291 325 G HA3 0.729 4.689 3.960 0.001 0.000 0.291 325 G C -1.381 173.624 174.900 0.175 0.000 1.403 325 G CA -0.565 44.668 45.100 0.222 0.000 0.864 325 G HN 0.389 nan 8.290 nan 0.000 0.480 326 V N -2.046 118.008 119.914 0.233 0.000 2.876 326 V HA 0.857 4.977 4.120 0.001 0.000 0.312 326 V C -0.550 175.591 176.094 0.079 0.000 1.085 326 V CA -1.117 61.271 62.300 0.148 0.000 0.945 326 V CB 1.590 33.559 31.823 0.244 0.000 1.017 326 V HN 0.650 nan 8.190 nan 0.000 0.428 327 V N 2.860 122.798 119.914 0.040 0.000 2.394 327 V HA 0.818 4.938 4.120 0.001 0.000 0.282 327 V C 0.655 176.765 176.094 0.027 0.000 1.031 327 V CA 0.183 62.505 62.300 0.037 0.000 0.881 327 V CB 1.191 33.060 31.823 0.076 0.000 0.982 327 V HN 1.355 nan 8.190 nan 0.000 0.451 328 A N 4.254 127.022 122.820 -0.087 0.000 2.317 328 A HA 0.957 5.277 4.320 0.001 0.000 0.327 328 A C -0.083 177.412 177.584 -0.147 0.000 1.178 328 A CA -0.270 51.654 52.037 -0.189 0.000 0.817 328 A CB 1.336 20.050 19.000 -0.477 0.000 1.189 328 A HN 1.344 nan 8.150 nan 0.000 0.489 329 A N 1.678 124.530 122.820 0.054 0.000 2.449 329 A HA 0.631 4.952 4.320 0.001 0.000 0.302 329 A C -0.578 177.250 177.584 0.407 0.000 1.048 329 A CA -0.563 51.641 52.037 0.278 0.000 0.708 329 A CB 0.716 19.824 19.000 0.180 0.000 1.274 329 A HN 0.972 nan 8.150 nan 0.000 0.410 330 H N 1.740 121.080 119.070 0.450 0.000 2.732 330 H HA 0.082 4.638 4.556 0.001 0.000 0.351 330 H C 1.236 176.676 175.328 0.187 0.000 1.090 330 H CA 1.069 57.279 56.048 0.270 0.000 1.431 330 H CB 1.303 31.142 29.762 0.128 0.000 1.447 330 H HN 0.819 nan 8.280 nan 0.000 0.582 331 K N 2.713 123.153 120.400 0.066 0.000 2.209 331 K HA -0.075 4.245 4.320 0.001 0.000 0.204 331 K C -0.157 176.592 176.600 0.248 0.000 1.048 331 K CA 1.314 57.679 56.287 0.131 0.000 0.940 331 K CB 0.234 32.745 32.500 0.019 0.000 0.729 331 K HN 0.499 nan 8.250 nan 0.000 0.451 332 E N 1.737 122.221 120.200 0.474 0.000 2.121 332 E HA 0.152 4.503 4.350 0.001 0.000 0.255 332 E C -1.322 175.381 176.600 0.171 0.000 0.906 332 E CA -0.806 55.747 56.400 0.255 0.000 0.745 332 E CB 0.920 30.722 29.700 0.169 0.000 1.155 332 E HN 0.434 nan 8.360 nan 0.000 0.424 333 N N 0.944 119.744 118.700 0.166 0.000 2.455 333 N HA 0.251 4.992 4.740 0.001 0.000 0.278 333 N C 0.327 175.871 175.510 0.057 0.000 1.291 333 N CA -0.954 52.192 53.050 0.160 0.000 0.780 333 N CB 0.753 39.471 38.487 0.386 0.000 1.520 333 N HN 0.349 nan 8.380 nan 0.000 0.486 334 I N -3.092 117.413 120.570 -0.108 0.000 3.111 334 I HA 0.150 4.321 4.170 0.001 0.000 0.272 334 I C 0.458 176.373 176.117 -0.337 0.000 1.268 334 I CA 0.542 61.687 61.300 -0.258 0.000 1.467 334 I CB -0.423 37.359 38.000 -0.362 0.000 1.087 334 I HN 0.323 nan 8.210 nan 0.000 0.467 335 F N 1.957 121.845 119.950 -0.104 0.000 2.163 335 F HA -0.098 4.430 4.527 0.001 0.000 0.297 335 F C 2.224 177.935 175.800 -0.148 0.000 1.094 335 F CA 1.293 59.145 58.000 -0.246 0.000 1.290 335 F CB -0.680 38.075 39.000 -0.409 0.000 1.017 335 F HN 0.078 nan 8.300 nan 0.000 0.483 336 D N 0.217 120.711 120.400 0.157 0.000 2.183 336 D HA -0.099 4.541 4.640 0.001 0.000 0.203 336 D C 2.251 178.578 176.300 0.045 0.000 0.969 336 D CA 0.739 54.807 54.000 0.113 0.000 0.842 336 D CB -0.374 40.504 40.800 0.130 0.000 0.957 336 D HN 0.193 nan 8.370 nan 0.000 0.484 337 L N 1.216 122.445 121.223 0.009 0.000 2.027 337 L HA -0.060 4.281 4.340 0.001 0.000 0.206 337 L C 2.228 179.079 176.870 -0.032 0.000 1.074 337 L CA 1.656 56.484 54.840 -0.019 0.000 0.745 337 L CB -0.647 41.384 42.059 -0.046 0.000 0.898 337 L HN -0.057 nan 8.230 nan 0.000 0.433 338 A N -0.587 122.194 122.820 -0.065 0.000 1.940 338 A HA -0.190 4.131 4.320 0.001 0.000 0.219 338 A C 2.257 179.828 177.584 -0.023 0.000 1.176 338 A CA 2.002 54.000 52.037 -0.064 0.000 0.631 338 A CB -0.964 17.968 19.000 -0.113 0.000 0.814 338 A HN 0.509 nan 8.150 nan 0.000 0.446 339 L N -0.826 120.396 121.223 -0.001 0.000 2.131 339 L HA -0.124 4.216 4.340 0.001 0.000 0.210 339 L C 2.662 179.553 176.870 0.036 0.000 1.092 339 L CA 1.018 55.880 54.840 0.037 0.000 0.759 339 L CB -0.517 41.587 42.059 0.074 0.000 0.903 339 L HN 0.495 nan 8.230 nan 0.000 0.435 340 G N -0.743 108.072 108.800 0.024 0.000 2.572 340 G HA2 -0.132 3.828 3.960 0.001 0.000 0.216 340 G HA3 -0.132 3.828 3.960 0.001 0.000 0.216 340 G C 1.626 176.534 174.900 0.013 0.000 1.133 340 G CA -0.020 45.092 45.100 0.020 0.000 0.791 340 G HN 0.294 nan 8.290 nan 0.000 0.538 341 R N -0.644 119.860 120.500 0.005 0.000 2.362 341 R HA 0.329 4.670 4.340 0.001 0.000 0.227 341 R C 0.249 176.553 176.300 0.007 0.000 0.905 341 R CA -0.428 55.673 56.100 0.001 0.000 1.067 341 R CB 0.144 30.438 30.300 -0.011 0.000 1.078 341 R HN 0.245 nan 8.270 nan 0.000 0.516 342 L N 3.079 124.312 121.223 0.016 0.000 2.506 342 L HA 0.076 4.417 4.340 0.001 0.000 0.281 342 L C -1.727 175.156 176.870 0.023 0.000 1.228 342 L CA -1.513 53.341 54.840 0.024 0.000 0.850 342 L CB 0.020 42.102 42.059 0.040 0.000 1.110 342 L HN -0.115 nan 8.230 nan 0.000 0.496 343 P HA 0.003 nan 4.420 nan 0.000 0.269 343 P C 0.079 177.393 177.300 0.025 0.000 1.209 343 P CA -0.236 62.876 63.100 0.021 0.000 0.776 343 P CB 0.645 32.357 31.700 0.020 0.000 0.876 344 E N 1.298 121.510 120.200 0.021 0.000 2.130 344 E HA -0.165 4.186 4.350 0.001 0.000 0.196 344 E C 1.909 178.523 176.600 0.024 0.000 0.998 344 E CA 1.982 58.395 56.400 0.022 0.000 0.806 344 E CB -0.649 29.061 29.700 0.018 0.000 0.738 344 E HN 0.612 nan 8.360 nan 0.000 0.459 345 S N 0.788 116.501 115.700 0.022 0.000 2.382 345 S HA -0.149 4.321 4.470 0.001 0.000 0.228 345 S C 1.837 176.453 174.600 0.027 0.000 1.027 345 S CA 1.005 59.218 58.200 0.022 0.000 0.991 345 S CB -0.240 62.971 63.200 0.019 0.000 0.823 345 S HN 0.261 nan 8.310 nan 0.000 0.469 346 E N 1.474 121.693 120.200 0.032 0.000 2.072 346 E HA -0.051 4.299 4.350 0.001 0.000 0.190 346 E C 2.171 178.803 176.600 0.052 0.000 0.982 346 E CA 0.884 57.310 56.400 0.042 0.000 0.803 346 E CB -0.144 29.585 29.700 0.048 0.000 0.755 346 E HN 0.596 nan 8.360 nan 0.000 0.453 347 K N 0.274 120.704 120.400 0.050 0.000 2.147 347 K HA -0.081 4.240 4.320 0.001 0.000 0.205 347 K C 2.200 178.832 176.600 0.053 0.000 1.049 347 K CA 1.449 57.771 56.287 0.058 0.000 0.936 347 K CB -0.049 32.479 32.500 0.047 0.000 0.722 347 K HN 0.040 nan 8.250 nan 0.000 0.446 348 T N 0.872 115.449 114.554 0.038 0.000 2.777 348 T HA -0.093 4.257 4.350 0.001 0.000 0.266 348 T C 2.011 176.726 174.700 0.025 0.000 1.040 348 T CA 1.239 63.357 62.100 0.030 0.000 1.141 348 T CB -0.182 68.698 68.868 0.022 0.000 0.868 348 T HN 0.290 nan 8.240 nan 0.000 0.444 349 A N 1.228 124.061 122.820 0.022 0.000 1.933 349 A HA 0.061 4.382 4.320 0.001 0.000 0.218 349 A C 2.254 179.834 177.584 -0.007 0.000 1.175 349 A CA 1.111 53.151 52.037 0.005 0.000 0.628 349 A CB -0.748 18.257 19.000 0.007 0.000 0.814 349 A HN 0.476 nan 8.150 nan 0.000 0.444 350 L N -0.789 120.455 121.223 0.035 0.000 2.179 350 L HA -0.099 4.242 4.340 0.001 0.000 0.208 350 L C 1.871 178.810 176.870 0.115 0.000 1.096 350 L CA 0.825 55.708 54.840 0.071 0.000 0.779 350 L CB -0.568 41.612 42.059 0.202 0.000 0.922 350 L HN 0.249 nan 8.230 nan 0.000 0.443 351 D N 0.466 120.922 120.400 0.093 0.000 2.123 351 D HA -0.194 4.446 4.640 0.001 0.000 0.196 351 D C 1.692 178.020 176.300 0.048 0.000 0.992 351 D CA 1.342 55.392 54.000 0.083 0.000 0.833 351 D CB -0.098 40.736 40.800 0.056 0.000 0.954 351 D HN 0.308 nan 8.370 nan 0.000 0.455 352 D N 0.044 120.449 120.400 0.008 0.000 2.103 352 D HA -0.101 4.539 4.640 0.001 0.000 0.199 352 D C 2.060 178.323 176.300 -0.062 0.000 0.978 352 D CA 0.491 54.480 54.000 -0.018 0.000 0.829 352 D CB -0.212 40.573 40.800 -0.024 0.000 0.981 352 D HN 0.185 nan 8.370 nan 0.000 0.464 353 R N -0.207 120.206 120.500 -0.144 0.000 2.080 353 R HA -0.167 4.174 4.340 0.001 0.000 0.236 353 R C 1.283 177.387 176.300 -0.326 0.000 1.137 353 R CA 1.328 57.236 56.100 -0.320 0.000 0.943 353 R CB -0.203 29.752 30.300 -0.576 0.000 0.846 353 R HN 0.217 nan 8.270 nan 0.000 0.431 354 Y N -0.057 120.241 120.300 -0.004 0.000 2.493 354 Y HA 0.239 4.789 4.550 0.001 0.000 0.275 354 Y C 1.877 177.774 175.900 -0.005 0.000 1.183 354 Y CA -0.246 57.846 58.100 -0.013 0.000 1.258 354 Y CB -0.110 38.341 38.460 -0.015 0.000 1.108 354 Y HN 0.081 nan 8.280 nan 0.000 0.521 355 R N 0.729 121.287 120.500 0.095 0.000 2.096 355 R HA -0.215 4.125 4.340 0.001 0.000 0.240 355 R C 2.238 178.577 176.300 0.064 0.000 1.139 355 R CA 2.119 58.260 56.100 0.068 0.000 0.952 355 R CB -0.201 30.120 30.300 0.034 0.000 0.854 355 R HN 0.417 nan 8.270 nan 0.000 0.436 356 S N -0.046 115.690 115.700 0.059 0.000 2.474 356 S HA -0.071 4.399 4.470 0.001 0.000 0.235 356 S C 1.977 176.630 174.600 0.089 0.000 0.997 356 S CA 0.711 58.948 58.200 0.061 0.000 0.949 356 S CB -0.227 63.004 63.200 0.053 0.000 0.766 356 S HN 0.319 nan 8.310 nan 0.000 0.517 357 L N 0.509 121.790 121.223 0.098 0.000 2.068 357 L HA 0.350 4.691 4.340 0.001 0.000 0.204 357 L C 0.886 177.801 176.870 0.075 0.000 1.076 357 L CA 0.727 55.623 54.840 0.094 0.000 0.753 357 L CB -0.262 41.831 42.059 0.056 0.000 0.910 357 L HN 0.491 nan 8.230 nan 0.000 0.439 358 L N -6.276 114.981 121.223 0.056 0.000 2.582 358 L HA 0.411 4.751 4.340 0.001 0.000 0.257 358 L C -2.507 174.384 176.870 0.035 0.000 0.974 358 L CA -1.425 53.436 54.840 0.036 0.000 0.851 358 L CB 1.130 43.198 42.059 0.014 0.000 1.424 358 L HN -0.310 nan 8.230 nan 0.000 0.412 359 P HA -0.076 nan 4.420 nan 0.000 0.215 359 P C -0.286 177.030 177.300 0.027 0.000 1.157 359 P CA 1.080 64.195 63.100 0.025 0.000 0.863 359 P CB 0.067 31.778 31.700 0.018 0.000 0.787 360 D N -0.781 119.631 120.400 0.021 0.000 2.485 360 D HA 0.085 4.726 4.640 0.001 0.000 0.221 360 D C 1.059 177.371 176.300 0.019 0.000 1.112 360 D CA -0.299 53.713 54.000 0.021 0.000 0.911 360 D CB 0.277 41.086 40.800 0.015 0.000 1.019 360 D HN -0.286 nan 8.370 nan 0.000 0.516 361 V N 3.983 123.918 119.914 0.036 0.000 2.594 361 V HA -0.193 3.927 4.120 0.001 0.000 0.253 361 V C 2.245 178.352 176.094 0.021 0.000 1.069 361 V CA 1.468 63.793 62.300 0.043 0.000 1.082 361 V CB -0.397 31.496 31.823 0.117 0.000 0.680 361 V HN 0.472 nan 8.190 nan 0.000 0.469 362 R N 0.735 121.253 120.500 0.030 0.000 2.285 362 R HA -0.058 4.282 4.340 0.001 0.000 0.213 362 R C 2.174 178.483 176.300 0.014 0.000 1.068 362 R CA 1.165 57.281 56.100 0.027 0.000 1.004 362 R CB -0.235 30.084 30.300 0.031 0.000 0.873 362 R HN 0.683 nan 8.270 nan 0.000 0.467 363 S N -0.455 115.246 115.700 0.002 0.000 2.556 363 S HA 0.092 4.562 4.470 0.001 0.000 0.216 363 S C 0.488 175.073 174.600 -0.026 0.000 0.970 363 S CA -0.511 57.688 58.200 -0.003 0.000 0.912 363 S CB 0.142 63.342 63.200 0.000 0.000 0.790 363 S HN 0.104 nan 8.310 nan 0.000 0.504 364 L N 3.064 124.252 121.223 -0.058 0.000 2.369 364 L HA 0.484 4.824 4.340 0.001 0.000 0.279 364 L C -0.253 176.553 176.870 -0.106 0.000 1.108 364 L CA 0.014 54.779 54.840 -0.124 0.000 0.852 364 L CB 0.132 42.047 42.059 -0.239 0.000 1.169 364 L HN -0.031 nan 8.230 nan 0.000 0.452 365 K N 3.614 123.968 120.400 -0.077 0.000 2.202 365 K HA 0.108 4.428 4.320 0.001 0.000 0.264 365 K C 0.648 177.239 176.600 -0.014 0.000 1.010 365 K CA -0.006 56.279 56.287 -0.005 0.000 0.940 365 K CB 0.434 32.943 32.500 0.014 0.000 0.983 365 K HN 0.514 nan 8.250 nan 0.000 0.475 366 F N 1.819 121.734 119.950 -0.058 0.000 2.126 366 F HA -0.205 4.322 4.527 0.001 0.000 0.299 366 F C 1.491 177.219 175.800 -0.119 0.000 1.096 366 F CA 1.360 59.319 58.000 -0.070 0.000 1.255 366 F CB -0.187 38.814 39.000 0.002 0.000 0.997 366 F HN 0.501 nan 8.300 nan 0.000 0.479 367 L N 0.424 121.566 121.223 -0.136 0.000 2.079 367 L HA -0.230 4.111 4.340 0.001 0.000 0.210 367 L C 1.934 178.585 176.870 -0.365 0.000 1.081 367 L CA 2.085 56.788 54.840 -0.228 0.000 0.752 367 L CB -0.907 41.115 42.059 -0.063 0.000 0.896 367 L HN 0.100 nan 8.230 nan 0.000 0.433 368 D N -1.194 119.018 120.400 -0.314 0.000 2.277 368 D HA -0.081 4.560 4.640 0.001 0.000 0.208 368 D C 2.186 178.224 176.300 -0.436 0.000 0.962 368 D CA 0.516 54.294 54.000 -0.369 0.000 0.865 368 D CB 0.090 40.736 40.800 -0.257 0.000 0.939 368 D HN 0.425 nan 8.370 nan 0.000 0.510 369 R N 0.372 120.597 120.500 -0.458 0.000 2.073 369 R HA 0.028 4.369 4.340 0.001 0.000 0.229 369 R C 2.546 178.594 176.300 -0.420 0.000 1.120 369 R CA 0.378 56.204 56.100 -0.457 0.000 0.967 369 R CB -0.277 29.776 30.300 -0.410 0.000 0.862 369 R HN 0.163 nan 8.270 nan 0.000 0.436 370 L N 0.506 121.378 121.223 -0.586 0.000 2.021 370 L HA -0.255 4.085 4.340 0.001 0.000 0.215 370 L C 2.417 178.997 176.870 -0.483 0.000 1.074 370 L CA 1.381 55.955 54.840 -0.442 0.000 0.760 370 L CB -0.684 41.186 42.059 -0.316 0.000 0.889 370 L HN 0.051 nan 8.230 nan 0.000 0.433 371 V N -0.140 119.266 119.914 -0.848 0.000 2.295 371 V HA -0.284 3.837 4.120 0.001 0.000 0.246 371 V C 2.731 178.565 176.094 -0.433 0.000 1.049 371 V CA 1.877 63.626 62.300 -0.919 0.000 1.024 371 V CB -1.051 30.226 31.823 -0.911 0.000 0.648 371 V HN 0.495 nan 8.190 nan 0.000 0.447 372 A N -0.021 122.603 122.820 -0.326 0.000 1.930 372 A HA -0.218 4.102 4.320 0.001 0.000 0.217 372 A C 1.941 179.478 177.584 -0.078 0.000 1.175 372 A CA 1.893 53.837 52.037 -0.155 0.000 0.627 372 A CB -0.571 18.403 19.000 -0.043 0.000 0.815 372 A HN 0.546 nan 8.150 nan 0.000 0.443 373 D N 0.016 120.370 120.400 -0.076 0.000 2.224 373 D HA -0.097 4.544 4.640 0.001 0.000 0.205 373 D C 2.344 178.587 176.300 -0.095 0.000 0.965 373 D CA 1.440 55.421 54.000 -0.033 0.000 0.852 373 D CB -0.308 40.498 40.800 0.011 0.000 0.947 373 D HN 0.590 nan 8.370 nan 0.000 0.494 374 S N 0.158 115.713 115.700 -0.240 0.000 2.419 374 S HA -0.088 4.382 4.470 0.001 0.000 0.233 374 S C 1.329 175.817 174.600 -0.188 0.000 1.016 374 S CA 0.605 58.544 58.200 -0.435 0.000 0.974 374 S CB 0.140 62.821 63.200 -0.865 0.000 0.786 374 S HN 0.029 nan 8.310 nan 0.000 0.492 375 R N 0.460 120.891 120.500 -0.115 0.000 2.711 375 R HA 0.554 4.894 4.340 0.001 0.000 0.350 375 R C 0.502 176.780 176.300 -0.037 0.000 1.146 375 R CA 0.324 56.395 56.100 -0.047 0.000 1.190 375 R CB -0.303 29.974 30.300 -0.038 0.000 1.312 375 R HN 0.499 nan 8.270 nan 0.000 0.635 376 A N -0.097 122.705 122.820 -0.030 0.000 2.847 376 A HA -0.269 4.051 4.320 0.001 0.000 0.263 376 A C 1.200 178.763 177.584 -0.035 0.000 1.391 376 A CA 0.971 52.993 52.037 -0.026 0.000 0.866 376 A CB -1.846 17.145 19.000 -0.014 0.000 1.057 376 A HN 0.331 nan 8.150 nan 0.000 0.673 377 V N -4.253 115.639 119.914 -0.038 0.000 0.524 377 V HA -0.494 3.626 4.120 0.001 0.000 0.092 377 V C 2.533 178.610 176.094 -0.029 0.000 2.204 377 V CA 3.570 65.856 62.300 -0.024 0.000 3.556 377 V CB -2.174 29.628 31.823 -0.034 0.000 0.846 377 V HN 2.345 nan 8.190 nan 0.000 0.884 378 A N -0.598 122.209 122.820 -0.022 0.000 2.125 378 A HA 0.107 4.428 4.320 0.001 0.000 0.219 378 A C 1.562 179.143 177.584 -0.006 0.000 1.156 378 A CA 2.131 54.166 52.037 -0.005 0.000 0.671 378 A CB -0.364 18.633 19.000 -0.005 0.000 0.794 378 A HN 0.749 nan 8.150 nan 0.000 0.459 379 L N -0.188 121.016 121.223 -0.033 0.000 2.818 379 L HA 0.125 4.465 4.340 0.001 0.000 0.243 379 L C 1.826 178.641 176.870 -0.090 0.000 1.185 379 L CA -0.152 54.662 54.840 -0.044 0.000 0.988 379 L CB -0.288 41.752 42.059 -0.032 0.000 1.292 379 L HN 0.435 nan 8.230 nan 0.000 0.519 380 N N 1.024 119.631 118.700 -0.155 0.000 2.137 380 N HA -0.253 4.487 4.740 0.001 0.000 0.190 380 N C 1.381 176.688 175.510 -0.338 0.000 1.017 380 N CA 1.726 54.601 53.050 -0.292 0.000 0.859 380 N CB 0.066 38.298 38.487 -0.425 0.000 1.002 380 N HN 0.533 nan 8.380 nan 0.000 0.428 381 H N -1.534 117.481 119.070 -0.093 0.000 2.551 381 H HA 0.075 4.632 4.556 0.001 0.000 0.266 381 H C 1.063 176.283 175.328 -0.180 0.000 0.977 381 H CA 1.303 57.285 56.048 -0.111 0.000 1.163 381 H CB 0.392 30.090 29.762 -0.107 0.000 1.381 381 H HN 0.340 nan 8.280 nan 0.000 0.581 382 T N -2.426 112.049 114.554 -0.130 0.000 3.182 382 T HA 0.586 4.937 4.350 0.001 0.000 0.277 382 T C 0.791 175.493 174.700 0.002 0.000 1.013 382 T CA -0.202 61.786 62.100 -0.188 0.000 0.900 382 T CB 0.065 68.695 68.868 -0.397 0.000 1.098 382 T HN 0.271 nan 8.240 nan 0.000 0.543 383 A N 0.564 123.375 122.820 -0.015 0.000 2.259 383 A HA 0.909 5.229 4.320 0.001 0.000 0.278 383 A C 0.974 178.609 177.584 0.086 0.000 1.107 383 A CA 0.072 52.119 52.037 0.018 0.000 0.828 383 A CB -0.283 18.682 19.000 -0.058 0.000 1.111 383 A HN 1.649 nan 8.150 nan 0.000 0.498 384 G N -2.023 106.865 108.800 0.146 0.000 2.555 384 G HA2 0.351 4.312 3.960 0.001 0.000 0.686 384 G HA3 0.351 4.312 3.960 0.001 0.000 0.686 384 G C -0.884 174.125 174.900 0.182 0.000 1.275 384 G CA -0.292 44.940 45.100 0.219 0.000 0.871 384 G HN 1.708 nan 8.290 nan 0.000 0.603 385 L N 1.238 122.561 121.223 0.165 0.000 2.426 385 L HA 0.630 4.971 4.340 0.001 0.000 0.271 385 L C 1.585 178.517 176.870 0.104 0.000 1.169 385 L CA 0.660 55.568 54.840 0.114 0.000 0.836 385 L CB 1.119 43.221 42.059 0.070 0.000 1.112 385 L HN 1.662 nan 8.230 nan 0.000 0.465 386 S N 1.626 117.385 115.700 0.100 0.000 2.558 386 S HA -0.003 4.468 4.470 0.001 0.000 0.288 386 S C 1.376 176.023 174.600 0.079 0.000 1.318 386 S CA 0.142 58.396 58.200 0.091 0.000 1.056 386 S CB 0.382 63.639 63.200 0.095 0.000 0.853 386 S HN 0.903 nan 8.310 nan 0.000 0.505 387 T N -0.100 114.489 114.554 0.060 0.000 2.788 387 T HA 0.015 4.366 4.350 0.001 0.000 0.268 387 T C -1.089 173.642 174.700 0.050 0.000 1.044 387 T CA 1.033 63.155 62.100 0.037 0.000 1.139 387 T CB -1.827 67.044 68.868 0.005 0.000 0.867 387 T HN 0.570 nan 8.240 nan 0.000 0.454 388 P HA 0.009 nan 4.420 nan 0.000 0.218 388 P C 1.820 179.264 177.300 0.239 0.000 1.149 388 P CA 1.005 64.243 63.100 0.230 0.000 0.817 388 P CB -0.140 31.756 31.700 0.328 0.000 0.785 389 Q N -0.493 119.407 119.800 0.167 0.000 2.079 389 Q HA -0.180 4.160 4.340 0.001 0.000 0.200 389 Q C 2.365 178.292 176.000 -0.121 0.000 0.974 389 Q CA 1.335 57.177 55.803 0.065 0.000 0.840 389 Q CB -0.378 28.444 28.738 0.140 0.000 0.898 389 Q HN 0.396 nan 8.270 nan 0.000 0.430 390 Q N -0.305 119.461 119.800 -0.057 0.000 2.084 390 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 390 Q C 2.248 178.170 176.000 -0.130 0.000 0.978 390 Q CA 1.471 57.218 55.803 -0.093 0.000 0.844 390 Q CB -0.096 28.629 28.738 -0.021 0.000 0.898 390 Q HN 0.228 nan 8.270 nan 0.000 0.426 391 V N 1.118 120.986 119.914 -0.077 0.000 2.287 391 V HA -0.313 3.808 4.120 0.001 0.000 0.248 391 V C 2.342 178.328 176.094 -0.179 0.000 1.053 391 V CA 2.204 64.460 62.300 -0.074 0.000 1.027 391 V CB -0.613 31.193 31.823 -0.028 0.000 0.646 391 V HN 0.344 nan 8.190 nan 0.000 0.447 392 Q N -0.338 119.263 119.800 -0.331 0.000 2.124 392 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 392 Q C 2.142 177.530 176.000 -1.020 0.000 0.977 392 Q CA 2.173 57.422 55.803 -0.923 0.000 0.850 392 Q CB -0.471 27.151 28.738 -1.861 0.000 0.901 392 Q HN 0.623 nan 8.270 nan 0.000 0.429 393 M N -0.832 118.333 119.600 -0.725 0.000 2.117 393 M HA -0.187 4.293 4.480 0.001 0.000 0.262 393 M C 1.498 177.477 176.300 -0.536 0.000 1.065 393 M CA 1.984 56.840 55.300 -0.740 0.000 1.114 393 M CB -0.202 31.987 32.600 -0.684 0.000 1.361 393 M HN 0.227 nan 8.290 nan 0.000 0.408 394 T N 1.374 115.733 114.554 -0.325 0.000 2.788 394 T HA -0.100 4.251 4.350 0.001 0.000 0.268 394 T C 1.715 176.353 174.700 -0.104 0.000 1.044 394 T CA 1.290 63.312 62.100 -0.129 0.000 1.139 394 T CB -0.274 68.587 68.868 -0.011 0.000 0.867 394 T HN 0.393 nan 8.240 nan 0.000 0.454 395 L N -0.369 120.727 121.223 -0.211 0.000 2.156 395 L HA 0.016 4.357 4.340 0.001 0.000 0.208 395 L C 2.239 178.992 176.870 -0.194 0.000 1.095 395 L CA 0.949 55.715 54.840 -0.124 0.000 0.770 395 L CB -0.494 41.430 42.059 -0.226 0.000 0.914 395 L HN 0.191 nan 8.230 nan 0.000 0.439 396 F N 0.110 119.778 119.950 -0.470 0.000 2.134 396 F HA -0.182 4.345 4.527 0.001 0.000 0.299 396 F C 2.779 178.287 175.800 -0.486 0.000 1.097 396 F CA 1.154 58.690 58.000 -0.774 0.000 1.264 396 F CB -1.054 37.050 39.000 -1.494 0.000 1.001 396 F HN -0.032 nan 8.300 nan 0.000 0.479 397 S N 0.452 116.046 115.700 -0.176 0.000 2.356 397 S HA -0.168 4.303 4.470 0.001 0.000 0.223 397 S C 2.262 176.874 174.600 0.020 0.000 1.032 397 S CA 1.152 59.256 58.200 -0.161 0.000 1.005 397 S CB -0.686 62.524 63.200 0.016 0.000 0.867 397 S HN 0.263 nan 8.310 nan 0.000 0.449 398 L N 0.147 121.406 121.223 0.060 0.000 2.012 398 L HA -0.132 4.208 4.340 0.001 0.000 0.210 398 L C 2.278 179.228 176.870 0.133 0.000 1.073 398 L CA 1.364 56.211 54.840 0.012 0.000 0.748 398 L CB -0.555 41.521 42.059 0.028 0.000 0.891 398 L HN 0.249 nan 8.230 nan 0.000 0.431 399 F N 0.847 120.960 119.950 0.272 0.000 2.087 399 F HA -0.331 4.196 4.527 0.001 0.000 0.299 399 F C 2.333 178.230 175.800 0.161 0.000 1.100 399 F CA 1.548 59.742 58.000 0.324 0.000 1.226 399 F CB -0.416 38.637 39.000 0.088 0.000 0.983 399 F HN 0.029 nan 8.300 nan 0.000 0.479 400 A N 0.011 122.884 122.820 0.088 0.000 1.930 400 A HA -0.010 4.311 4.320 0.001 0.000 0.215 400 A C 2.311 179.925 177.584 0.051 0.000 1.176 400 A CA 1.248 53.333 52.037 0.079 0.000 0.632 400 A CB -1.020 18.282 19.000 0.502 0.000 0.819 400 A HN 0.455 nan 8.150 nan 0.000 0.445 401 L N -0.897 120.348 121.223 0.036 0.000 2.046 401 L HA -0.175 4.166 4.340 0.001 0.000 0.208 401 L C 2.682 179.388 176.870 -0.273 0.000 1.077 401 L CA 1.476 56.255 54.840 -0.101 0.000 0.747 401 L CB -0.382 41.539 42.059 -0.231 0.000 0.896 401 L HN 0.412 nan 8.230 nan 0.000 0.432 402 M N -1.253 118.118 119.600 -0.381 0.000 2.492 402 M HA -0.065 4.415 4.480 0.001 0.000 0.262 402 M C 0.279 176.508 176.300 -0.118 0.000 1.090 402 M CA 0.545 55.670 55.300 -0.292 0.000 1.110 402 M CB -0.245 32.184 32.600 -0.286 0.000 1.407 402 M HN 0.015 nan 8.290 nan 0.000 0.470 403 D N 1.331 121.647 120.400 -0.140 0.000 2.558 403 D HA 0.027 4.668 4.640 0.001 0.000 0.221 403 D C 0.873 177.133 176.300 -0.068 0.000 1.143 403 D CA 0.192 54.117 54.000 -0.126 0.000 1.010 403 D CB 0.551 41.196 40.800 -0.259 0.000 1.068 403 D HN 0.050 nan 8.370 nan 0.000 0.511 404 E N 0.965 121.150 120.200 -0.024 0.000 2.077 404 E HA -0.161 4.190 4.350 0.001 0.000 0.193 404 E C 1.477 178.075 176.600 -0.003 0.000 0.989 404 E CA 1.331 57.732 56.400 0.002 0.000 0.800 404 E CB -0.081 29.636 29.700 0.028 0.000 0.746 404 E HN 0.317 nan 8.360 nan 0.000 0.452 405 S N -0.177 115.522 115.700 -0.001 0.000 2.660 405 S HA 0.010 4.480 4.470 0.001 0.000 0.223 405 S C -0.085 174.490 174.600 -0.042 0.000 0.963 405 S CA 0.468 58.678 58.200 0.016 0.000 0.932 405 S CB -0.240 62.987 63.200 0.046 0.000 0.775 405 S HN 0.204 nan 8.310 nan 0.000 0.531 406 D N 1.195 121.527 120.400 -0.114 0.000 2.708 406 D HA -0.187 4.453 4.640 0.001 0.000 0.236 406 D C 0.767 176.882 176.300 -0.309 0.000 1.146 406 D CA 0.779 54.628 54.000 -0.251 0.000 0.662 406 D CB -1.507 39.042 40.800 -0.417 0.000 1.059 406 D HN 0.626 nan 8.370 nan 0.000 0.428 407 Q N -1.399 118.337 119.800 -0.107 0.000 2.084 407 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 407 Q C 1.901 177.901 176.000 -0.001 0.000 0.978 407 Q CA 1.380 57.177 55.803 -0.010 0.000 0.844 407 Q CB -0.089 28.672 28.738 0.038 0.000 0.898 407 Q HN 0.687 nan 8.270 nan 0.000 0.426 408 Y N 1.421 121.630 120.300 -0.151 0.000 2.181 408 Y HA -0.257 4.293 4.550 0.001 0.000 0.288 408 Y C 2.297 178.104 175.900 -0.156 0.000 1.146 408 Y CA 1.821 59.840 58.100 -0.135 0.000 1.164 408 Y CB -0.005 38.339 38.460 -0.193 0.000 0.982 408 Y HN -0.098 nan 8.280 nan 0.000 0.515 409 K N -0.779 119.553 120.400 -0.112 0.000 2.032 409 K HA -0.253 4.067 4.320 0.001 0.000 0.209 409 K C 1.887 178.395 176.600 -0.153 0.000 1.048 409 K CA 2.183 58.385 56.287 -0.142 0.000 0.927 409 K CB -0.461 31.961 32.500 -0.130 0.000 0.712 409 K HN 0.594 nan 8.250 nan 0.000 0.441 410 H N -0.876 118.142 119.070 -0.087 0.000 2.387 410 H HA -0.068 4.488 4.556 0.001 0.000 0.299 410 H C 2.036 177.294 175.328 -0.117 0.000 1.090 410 H CA 1.444 57.444 56.048 -0.081 0.000 1.332 410 H CB 0.074 29.809 29.762 -0.045 0.000 1.386 410 H HN 0.251 nan 8.280 nan 0.000 0.516 411 T N 1.205 115.738 114.554 -0.034 0.000 2.684 411 T HA -0.151 4.200 4.350 0.001 0.000 0.267 411 T C 2.148 176.716 174.700 -0.220 0.000 1.036 411 T CA 1.045 63.075 62.100 -0.116 0.000 1.148 411 T CB -0.281 68.509 68.868 -0.130 0.000 0.863 411 T HN 0.218 nan 8.240 nan 0.000 0.436 412 L N 0.339 121.328 121.223 -0.390 0.000 2.046 412 L HA -0.119 4.221 4.340 0.001 0.000 0.208 412 L C 2.674 179.421 176.870 -0.206 0.000 1.077 412 L CA 1.483 56.043 54.840 -0.466 0.000 0.747 412 L CB -0.497 41.172 42.059 -0.650 0.000 0.896 412 L HN 0.264 nan 8.230 nan 0.000 0.432 413 K N -0.367 119.979 120.400 -0.091 0.000 2.057 413 K HA -0.187 4.134 4.320 0.001 0.000 0.206 413 K C 2.181 178.760 176.600 -0.036 0.000 1.050 413 K CA 1.189 57.474 56.287 -0.004 0.000 0.935 413 K CB -0.086 32.446 32.500 0.052 0.000 0.715 413 K HN 0.346 nan 8.250 nan 0.000 0.439 414 Q N 0.501 120.272 119.800 -0.048 0.000 2.124 414 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 414 Q C 2.187 178.149 176.000 -0.063 0.000 0.977 414 Q CA 1.046 56.818 55.803 -0.051 0.000 0.850 414 Q CB -0.101 28.612 28.738 -0.042 0.000 0.901 414 Q HN 0.182 nan 8.270 nan 0.000 0.429 415 L N 0.688 121.858 121.223 -0.087 0.000 2.017 415 L HA -0.181 4.159 4.340 0.001 0.000 0.208 415 L C 1.979 178.794 176.870 -0.091 0.000 1.073 415 L CA 1.620 56.410 54.840 -0.083 0.000 0.745 415 L CB -0.376 41.613 42.059 -0.117 0.000 0.894 415 L HN 0.174 nan 8.230 nan 0.000 0.432 416 I N -0.864 119.642 120.570 -0.108 0.000 2.226 416 I HA -0.263 3.907 4.170 0.001 0.000 0.245 416 I C 2.502 178.537 176.117 -0.135 0.000 1.100 416 I CA 0.823 62.042 61.300 -0.136 0.000 1.374 416 I CB -0.375 37.556 38.000 -0.115 0.000 1.057 416 I HN 0.239 nan 8.210 nan 0.000 0.413 417 R N 0.388 120.835 120.500 -0.089 0.000 2.096 417 R HA -0.158 4.183 4.340 0.001 0.000 0.235 417 R C 2.274 178.530 176.300 -0.074 0.000 1.127 417 R CA 1.092 57.148 56.100 -0.073 0.000 0.968 417 R CB -0.878 29.392 30.300 -0.051 0.000 0.861 417 R HN 0.253 nan 8.270 nan 0.000 0.440 418 R N 1.582 122.039 120.500 -0.071 0.000 2.073 418 R HA -0.049 4.292 4.340 0.001 0.000 0.234 418 R C 2.106 178.355 176.300 -0.084 0.000 1.134 418 R CA 1.680 57.748 56.100 -0.055 0.000 0.952 418 R CB -0.419 29.861 30.300 -0.033 0.000 0.850 418 R HN 0.123 nan 8.270 nan 0.000 0.433 419 R N 0.111 120.516 120.500 -0.158 0.000 2.120 419 R HA -0.111 4.229 4.340 0.001 0.000 0.234 419 R C 2.327 178.382 176.300 -0.408 0.000 1.123 419 R CA 1.642 57.536 56.100 -0.343 0.000 0.975 419 R CB -0.330 29.625 30.300 -0.574 0.000 0.866 419 R HN 0.474 nan 8.270 nan 0.000 0.446 420 E N 0.654 120.705 120.200 -0.247 0.000 2.047 420 E HA -0.170 4.180 4.350 0.001 0.000 0.191 420 E C 2.001 178.634 176.600 0.056 0.000 0.987 420 E CA 1.057 57.411 56.400 -0.077 0.000 0.799 420 E CB -0.027 29.660 29.700 -0.023 0.000 0.752 420 E HN 0.353 nan 8.360 nan 0.000 0.449 421 A N 0.345 123.171 122.820 0.009 0.000 1.908 421 A HA -0.197 4.123 4.320 0.001 0.000 0.218 421 A C 2.375 179.984 177.584 0.040 0.000 1.181 421 A CA 2.181 54.240 52.037 0.036 0.000 0.627 421 A CB -1.007 17.996 19.000 0.005 0.000 0.818 421 A HN 0.330 nan 8.150 nan 0.000 0.445 422 T N -0.092 114.464 114.554 0.003 0.000 2.821 422 T HA -0.111 4.240 4.350 0.001 0.000 0.267 422 T C 1.829 176.537 174.700 0.013 0.000 1.046 422 T CA 1.437 63.549 62.100 0.020 0.000 1.139 422 T CB -0.338 68.554 68.868 0.039 0.000 0.871 422 T HN 0.354 nan 8.240 nan 0.000 0.454 423 L N 0.215 121.412 121.223 -0.044 0.000 2.017 423 L HA -0.022 4.319 4.340 0.001 0.000 0.208 423 L C 1.573 178.308 176.870 -0.226 0.000 1.073 423 L CA 1.789 56.542 54.840 -0.146 0.000 0.745 423 L CB -0.656 41.220 42.059 -0.305 0.000 0.894 423 L HN 0.270 nan 8.230 nan 0.000 0.432 424 Y N -0.860 119.430 120.300 -0.017 0.000 2.461 424 Y HA 0.157 4.707 4.550 0.001 0.000 0.277 424 Y C 2.363 178.253 175.900 -0.016 0.000 1.182 424 Y CA 0.166 58.257 58.100 -0.016 0.000 1.276 424 Y CB -0.363 38.080 38.460 -0.027 0.000 1.087 424 Y HN 0.172 nan 8.280 nan 0.000 0.519 425 R N 1.069 121.622 120.500 0.089 0.000 2.112 425 R HA -0.231 4.109 4.340 0.001 0.000 0.242 425 R C 0.936 177.258 176.300 0.037 0.000 1.137 425 R CA 2.282 58.414 56.100 0.053 0.000 0.944 425 R CB -0.047 30.274 30.300 0.034 0.000 0.857 425 R HN 0.420 nan 8.270 nan 0.000 0.435 426 E N -0.396 119.821 120.200 0.027 0.000 2.463 426 E HA 0.050 4.401 4.350 0.001 0.000 0.193 426 E C 0.645 177.253 176.600 0.013 0.000 1.041 426 E CA -0.068 56.340 56.400 0.013 0.000 0.879 426 E CB 0.525 30.233 29.700 0.013 0.000 0.997 426 E HN 0.376 nan 8.360 nan 0.000 0.478 427 L N 0.184 121.436 121.223 0.049 0.000 2.857 427 L HA 0.288 4.628 4.340 0.001 0.000 0.249 427 L C 1.102 178.021 176.870 0.082 0.000 1.172 427 L CA -0.630 54.256 54.840 0.077 0.000 0.980 427 L CB 0.366 42.513 42.059 0.147 0.000 1.299 427 L HN -0.013 nan 8.230 nan 0.000 0.535 428 G N 0.966 109.790 108.800 0.040 0.000 2.414 428 G HA2 0.312 4.273 3.960 0.001 0.000 0.236 428 G HA3 0.312 4.273 3.960 0.001 0.000 0.236 428 G C 0.408 175.305 174.900 -0.006 0.000 1.293 428 G CA 0.320 45.442 45.100 0.037 0.000 0.869 428 G HN 0.252 nan 8.290 nan 0.000 0.556 429 T N 0.605 115.145 114.554 -0.024 0.000 2.688 429 T HA 0.686 5.036 4.350 0.001 0.000 0.249 429 T C -2.769 171.845 174.700 -0.144 0.000 0.944 429 T CA -1.480 60.614 62.100 -0.010 0.000 1.058 429 T CB 1.121 69.975 68.868 -0.023 0.000 1.673 429 T HN 0.300 nan 8.240 nan 0.000 0.565 430 P HA 0.336 nan 4.420 nan 0.000 0.269 430 P C -2.545 174.464 177.300 -0.484 0.000 1.215 430 P CA -1.000 61.690 63.100 -0.683 0.000 0.780 430 P CB -0.940 30.541 31.700 -0.365 0.000 0.898 431 P HA 0.013 nan 4.420 nan 0.000 0.266 431 P C -0.388 176.813 177.300 -0.166 0.000 1.193 431 P CA 0.183 63.124 63.100 -0.265 0.000 0.770 431 P CB 0.210 31.786 31.700 -0.207 0.000 0.836 432 Q N 2.772 122.512 119.800 -0.100 0.000 2.313 432 Q HA 0.080 4.420 4.340 0.001 0.000 0.266 432 Q C -0.032 175.941 176.000 -0.045 0.000 0.989 432 Q CA 0.267 56.030 55.803 -0.067 0.000 0.890 432 Q CB 0.258 28.969 28.738 -0.046 0.000 1.200 432 Q HN 0.323 nan 8.270 nan 0.000 0.396 433 R N 2.275 122.751 120.500 -0.039 0.000 2.338 433 R HA 0.443 4.783 4.340 0.001 0.000 0.317 433 R C -0.699 175.598 176.300 -0.006 0.000 0.968 433 R CA -0.809 55.280 56.100 -0.019 0.000 0.849 433 R CB 0.830 31.116 30.300 -0.023 0.000 1.128 433 R HN 0.629 nan 8.270 nan 0.000 0.448 434 D N 1.973 122.378 120.400 0.008 0.000 2.478 434 D HA -0.060 4.580 4.640 0.001 0.000 0.269 434 D C 0.648 176.960 176.300 0.020 0.000 1.232 434 D CA -0.542 53.465 54.000 0.012 0.000 1.059 434 D CB 0.465 41.273 40.800 0.015 0.000 1.104 434 D HN 0.743 nan 8.370 nan 0.000 0.566 435 E N -0.890 119.323 120.200 0.023 0.000 2.338 435 E HA -0.168 4.183 4.350 0.001 0.000 0.197 435 E C 0.579 177.207 176.600 0.048 0.000 1.007 435 E CA 0.694 57.113 56.400 0.031 0.000 0.849 435 E CB -0.410 29.305 29.700 0.026 0.000 0.774 435 E HN 0.279 nan 8.360 nan 0.000 0.506 436 N N 0.960 119.691 118.700 0.052 0.000 2.336 436 N HA 0.129 4.870 4.740 0.001 0.000 0.189 436 N C -0.043 175.510 175.510 0.072 0.000 1.113 436 N CA 0.526 53.619 53.050 0.071 0.000 0.858 436 N CB 0.621 39.148 38.487 0.066 0.000 0.970 436 N HN 0.208 nan 8.380 nan 0.000 0.471 437 A N 0.347 123.200 122.820 0.055 0.000 2.462 437 A HA 0.330 4.650 4.320 0.001 0.000 0.243 437 A C 1.211 178.824 177.584 0.050 0.000 1.076 437 A CA -0.144 51.919 52.037 0.044 0.000 0.773 437 A CB 0.658 19.674 19.000 0.028 0.000 1.010 437 A HN -0.014 nan 8.150 nan 0.000 0.493 438 V N 0.781 120.714 119.914 0.032 0.000 2.950 438 V HA 0.135 4.256 4.120 0.001 0.000 0.231 438 V C 0.473 176.580 176.094 0.022 0.000 1.205 438 V CA 0.909 63.235 62.300 0.043 0.000 1.239 438 V CB -0.706 31.122 31.823 0.009 0.000 1.050 438 V HN 0.946 nan 8.190 nan 0.000 0.498 439 D N -1.511 118.876 120.400 -0.021 0.000 3.090 439 D HA -0.262 4.379 4.640 0.001 0.000 0.215 439 D C 0.672 176.905 176.300 -0.110 0.000 1.140 439 D CA 1.243 55.217 54.000 -0.044 0.000 0.937 439 D CB -1.606 39.173 40.800 -0.034 0.000 1.108 439 D HN 0.613 nan 8.370 nan 0.000 0.420 440 Y N -0.122 119.966 120.300 -0.354 0.000 2.224 440 Y HA -0.157 4.394 4.550 0.001 0.000 0.289 440 Y C 0.605 176.105 175.900 -0.666 0.000 1.146 440 Y CA 1.605 59.340 58.100 -0.609 0.000 1.182 440 Y CB 0.194 38.111 38.460 -0.906 0.000 0.983 440 Y HN 0.060 nan 8.280 nan 0.000 0.524 441 Y N -0.790 119.465 120.300 -0.075 0.000 2.457 441 Y HA 0.477 5.028 4.550 0.001 0.000 0.333 441 Y C 0.173 176.014 175.900 -0.097 0.000 1.119 441 Y CA -0.933 57.106 58.100 -0.100 0.000 1.143 441 Y CB 1.726 40.094 38.460 -0.153 0.000 1.230 441 Y HN -0.323 nan 8.280 nan 0.000 0.469 442 T N 2.642 117.259 114.554 0.106 0.000 2.886 442 T HA 0.495 4.845 4.350 0.001 0.000 0.292 442 T C -1.841 172.916 174.700 0.096 0.000 1.012 442 T CA -0.667 61.490 62.100 0.095 0.000 0.982 442 T CB 0.676 69.641 68.868 0.162 0.000 1.018 442 T HN 0.512 nan 8.240 nan 0.000 0.451 443 L N 6.629 127.903 121.223 0.084 0.000 2.257 443 L HA 0.622 4.962 4.340 0.001 0.000 0.290 443 L C -0.726 176.247 176.870 0.171 0.000 1.044 443 L CA -0.221 54.663 54.840 0.073 0.000 0.810 443 L CB 0.270 42.345 42.059 0.027 0.000 1.193 443 L HN 0.628 nan 8.230 nan 0.000 0.425 444 I N 4.415 125.073 120.570 0.147 0.000 2.269 444 I HA 0.218 4.389 4.170 0.001 0.000 0.293 444 I C -0.326 175.867 176.117 0.126 0.000 1.106 444 I CA -0.294 61.111 61.300 0.175 0.000 1.248 444 I CB 0.424 38.459 38.000 0.059 0.000 1.444 444 I HN 0.583 nan 8.210 nan 0.000 0.497 445 D N 4.688 125.174 120.400 0.144 0.000 2.313 445 D HA 0.158 4.799 4.640 0.001 0.000 0.239 445 D C 0.862 177.220 176.300 0.096 0.000 1.142 445 D CA -0.491 53.574 54.000 0.109 0.000 0.847 445 D CB 1.425 42.292 40.800 0.113 0.000 1.082 445 D HN 0.413 nan 8.370 nan 0.000 0.480 446 L N 3.940 125.206 121.223 0.071 0.000 2.042 446 L HA -0.179 4.162 4.340 0.001 0.000 0.210 446 L C 2.045 178.952 176.870 0.061 0.000 1.076 446 L CA 1.894 56.772 54.840 0.063 0.000 0.749 446 L CB -0.547 41.531 42.059 0.033 0.000 0.893 446 L HN 0.678 nan 8.230 nan 0.000 0.432 447 Q N -0.970 118.856 119.800 0.044 0.000 2.050 447 Q HA -0.274 4.067 4.340 0.001 0.000 0.202 447 Q C 1.959 177.996 176.000 0.060 0.000 0.980 447 Q CA 2.105 57.930 55.803 0.037 0.000 0.840 447 Q CB -0.171 28.582 28.738 0.025 0.000 0.898 447 Q HN 0.612 nan 8.270 nan 0.000 0.424 448 D N -0.883 119.555 120.400 0.063 0.000 2.144 448 D HA -0.131 4.509 4.640 0.001 0.000 0.199 448 D C 1.782 178.122 176.300 0.066 0.000 0.984 448 D CA 0.946 54.981 54.000 0.058 0.000 0.834 448 D CB 0.068 40.901 40.800 0.055 0.000 0.955 448 D HN 0.121 nan 8.370 nan 0.000 0.465 449 V N 0.304 120.273 119.914 0.093 0.000 2.270 449 V HA -0.224 3.896 4.120 0.001 0.000 0.245 449 V C 2.681 178.833 176.094 0.097 0.000 1.043 449 V CA 2.253 64.614 62.300 0.103 0.000 1.014 449 V CB -1.020 30.882 31.823 0.132 0.000 0.645 449 V HN 0.447 nan 8.190 nan 0.000 0.447 450 T N -2.812 111.833 114.554 0.153 0.000 2.915 450 T HA -0.195 4.156 4.350 0.001 0.000 0.269 450 T C 2.025 176.880 174.700 0.259 0.000 1.071 450 T CA 1.637 63.909 62.100 0.287 0.000 1.132 450 T CB -0.400 68.674 68.868 0.344 0.000 0.878 450 T HN 0.366 nan 8.240 nan 0.000 0.479 451 S N 1.410 117.199 115.700 0.149 0.000 2.348 451 S HA -0.098 4.373 4.470 0.001 0.000 0.221 451 S C 2.116 176.743 174.600 0.045 0.000 1.033 451 S CA 1.216 59.482 58.200 0.110 0.000 1.010 451 S CB -0.376 62.868 63.200 0.073 0.000 0.891 451 S HN 0.587 nan 8.310 nan 0.000 0.442 452 K N 0.258 120.664 120.400 0.009 0.000 2.152 452 K HA -0.026 4.295 4.320 0.001 0.000 0.206 452 K C 1.945 178.468 176.600 -0.130 0.000 1.048 452 K CA 1.292 57.553 56.287 -0.043 0.000 0.933 452 K CB -0.199 32.281 32.500 -0.034 0.000 0.721 452 K HN 0.398 nan 8.250 nan 0.000 0.447 453 L N -1.528 119.568 121.223 -0.211 0.000 2.145 453 L HA -0.042 4.299 4.340 0.001 0.000 0.201 453 L C 0.868 177.265 176.870 -0.787 0.000 1.075 453 L CA 0.814 55.305 54.840 -0.581 0.000 0.773 453 L CB 0.174 41.760 42.059 -0.788 0.000 0.936 453 L HN 0.120 nan 8.230 nan 0.000 0.451 454 Y N -0.373 119.840 120.300 -0.145 0.000 2.738 454 Y HA 0.521 5.072 4.550 0.001 0.000 0.249 454 Y C 0.803 176.697 175.900 -0.010 0.000 1.153 454 Y CA -0.343 57.591 58.100 -0.277 0.000 1.165 454 Y CB 0.413 38.379 38.460 -0.823 0.000 1.235 454 Y HN 0.125 nan 8.280 nan 0.000 0.559 455 G N 0.528 109.409 108.800 0.136 0.000 2.756 455 G HA2 -0.223 3.737 3.960 0.001 0.000 0.678 455 G HA3 -0.223 3.737 3.960 0.001 0.000 0.678 455 G C 0.501 175.509 174.900 0.180 0.000 1.349 455 G CA -0.180 45.008 45.100 0.147 0.000 0.847 455 G HN 0.290 nan 8.290 nan 0.000 0.548 456 E N 0.051 120.334 120.200 0.137 0.000 2.107 456 E HA 0.022 4.372 4.350 0.001 0.000 0.191 456 E C 2.947 179.634 176.600 0.146 0.000 0.982 456 E CA 1.283 57.755 56.400 0.121 0.000 0.809 456 E CB -0.112 29.639 29.700 0.086 0.000 0.756 456 E HN 0.792 nan 8.360 nan 0.000 0.459 457 A N 1.261 124.189 122.820 0.179 0.000 1.877 457 A HA -0.204 4.117 4.320 0.001 0.000 0.216 457 A C 1.986 179.716 177.584 0.242 0.000 1.186 457 A CA 1.197 53.361 52.037 0.212 0.000 0.620 457 A CB -0.783 18.363 19.000 0.243 0.000 0.822 457 A HN 0.345 nan 8.150 nan 0.000 0.443 458 F N 2.093 122.071 119.950 0.046 0.000 2.171 458 F HA -0.198 4.329 4.527 0.001 0.000 0.300 458 F C 2.707 178.555 175.800 0.081 0.000 1.090 458 F CA 1.957 59.857 58.000 -0.166 0.000 1.293 458 F CB -0.343 38.496 39.000 -0.268 0.000 1.013 458 F HN 0.320 nan 8.300 nan 0.000 0.486 459 S N -0.079 115.649 115.700 0.047 0.000 2.402 459 S HA -0.169 4.302 4.470 0.001 0.000 0.229 459 S C 2.025 176.592 174.600 -0.055 0.000 1.021 459 S CA 0.819 58.999 58.200 -0.034 0.000 0.974 459 S CB -0.545 62.702 63.200 0.079 0.000 0.800 459 S HN 0.343 nan 8.310 nan 0.000 0.484 460 K N 0.278 120.692 120.400 0.023 0.000 2.097 460 K HA -0.072 4.248 4.320 0.001 0.000 0.205 460 K C 1.701 178.325 176.600 0.040 0.000 1.050 460 K CA 1.255 57.566 56.287 0.040 0.000 0.938 460 K CB -0.476 32.076 32.500 0.087 0.000 0.718 460 K HN 0.721 nan 8.250 nan 0.000 0.442 461 W N 1.505 122.726 121.300 -0.132 0.000 2.441 461 W HA -0.060 4.601 4.660 0.001 0.000 0.302 461 W C 2.148 178.537 176.519 -0.217 0.000 1.191 461 W CA 1.846 59.121 57.345 -0.117 0.000 1.327 461 W CB -0.254 29.202 29.460 -0.007 0.000 1.128 461 W HN 0.063 nan 8.180 nan 0.000 0.522 462 A N 0.024 122.634 122.820 -0.349 0.000 1.978 462 A HA -0.190 4.130 4.320 0.001 0.000 0.220 462 A C 1.980 179.323 177.584 -0.402 0.000 1.170 462 A CA 2.136 53.845 52.037 -0.548 0.000 0.636 462 A CB -1.185 17.439 19.000 -0.627 0.000 0.810 462 A HN 0.216 nan 8.150 nan 0.000 0.448 463 V N -0.053 119.699 119.914 -0.270 0.000 2.427 463 V HA -0.220 3.900 4.120 0.001 0.000 0.248 463 V C 2.329 178.299 176.094 -0.207 0.000 1.051 463 V CA 2.210 64.403 62.300 -0.178 0.000 1.048 463 V CB -0.500 31.264 31.823 -0.099 0.000 0.666 463 V HN 0.553 nan 8.190 nan 0.000 0.456 464 K N -0.565 119.669 120.400 -0.276 0.000 2.365 464 K HA -0.163 4.157 4.320 0.001 0.000 0.199 464 K C 2.100 178.501 176.600 -0.332 0.000 1.045 464 K CA 0.892 57.022 56.287 -0.262 0.000 0.962 464 K CB 0.040 32.398 32.500 -0.236 0.000 0.759 464 K HN 0.387 nan 8.250 nan 0.000 0.469 465 Q N 1.150 120.655 119.800 -0.492 0.000 2.036 465 Q HA -0.031 4.309 4.340 0.001 0.000 0.195 465 Q C 0.398 176.248 176.000 -0.250 0.000 0.971 465 Q CA 0.992 56.520 55.803 -0.458 0.000 0.826 465 Q CB 0.352 28.654 28.738 -0.728 0.000 0.896 465 Q HN 0.177 nan 8.270 nan 0.000 0.449 466 S N -0.800 114.774 115.700 -0.210 0.000 2.621 466 S HA 0.764 5.234 4.470 0.001 0.000 0.302 466 S C -0.263 174.290 174.600 -0.078 0.000 1.093 466 S CA -0.333 57.801 58.200 -0.110 0.000 1.017 466 S CB 1.808 64.965 63.200 -0.072 0.000 1.077 466 S HN 0.379 nan 8.310 nan 0.000 0.517 467 S N 0.429 116.107 115.700 -0.037 0.000 2.801 467 S HA 0.498 4.968 4.470 0.001 0.000 0.312 467 S C 0.930 175.538 174.600 0.012 0.000 1.112 467 S CA -0.404 57.787 58.200 -0.016 0.000 0.943 467 S CB 0.214 63.409 63.200 -0.008 0.000 1.269 467 S HN 0.649 nan 8.310 nan 0.000 0.558 468 T N 0.970 115.537 114.554 0.021 0.000 2.746 468 T HA 0.029 4.380 4.350 0.001 0.000 0.267 468 T C 1.973 176.707 174.700 0.056 0.000 1.039 468 T CA 1.833 63.952 62.100 0.031 0.000 1.142 468 T CB -1.218 67.665 68.868 0.027 0.000 0.866 468 T HN 0.823 nan 8.240 nan 0.000 0.444 469 G N 1.687 110.539 108.800 0.086 0.000 2.446 469 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 469 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 469 G C 1.314 176.363 174.900 0.249 0.000 1.168 469 G CA 0.940 46.153 45.100 0.189 0.000 0.771 469 G HN 0.392 nan 8.290 nan 0.000 0.551 470 D N -0.204 120.276 120.400 0.132 0.000 2.219 470 D HA -0.044 4.597 4.640 0.001 0.000 0.205 470 D C 2.269 178.632 176.300 0.105 0.000 0.970 470 D CA 0.559 54.624 54.000 0.108 0.000 0.851 470 D CB -0.089 40.734 40.800 0.037 0.000 0.943 470 D HN 0.352 nan 8.370 nan 0.000 0.488 471 M N -0.238 119.409 119.600 0.077 0.000 2.160 471 M HA -0.112 4.369 4.480 0.001 0.000 0.264 471 M C 1.559 177.884 176.300 0.041 0.000 1.073 471 M CA 0.890 56.221 55.300 0.052 0.000 1.142 471 M CB 0.192 32.812 32.600 0.033 0.000 1.358 471 M HN -0.085 nan 8.290 nan 0.000 0.422 472 L N -0.562 120.677 121.223 0.026 0.000 2.156 472 L HA -0.054 4.286 4.340 0.001 0.000 0.208 472 L C 1.924 178.736 176.870 -0.098 0.000 1.095 472 L CA 1.790 56.594 54.840 -0.060 0.000 0.770 472 L CB -0.913 41.072 42.059 -0.123 0.000 0.914 472 L HN 0.249 nan 8.230 nan 0.000 0.439 473 F N -0.687 119.258 119.950 -0.009 0.000 2.259 473 F HA -0.127 4.401 4.527 0.001 0.000 0.298 473 F C 2.692 178.489 175.800 -0.006 0.000 1.088 473 F CA 0.896 58.891 58.000 -0.008 0.000 1.358 473 F CB -0.085 38.910 39.000 -0.007 0.000 1.040 473 F HN -0.021 nan 8.300 nan 0.000 0.505 474 R N 0.849 121.448 120.500 0.165 0.000 2.066 474 R HA -0.110 4.231 4.340 0.001 0.000 0.232 474 R C 2.105 178.438 176.300 0.054 0.000 1.131 474 R CA 1.588 57.748 56.100 0.099 0.000 0.955 474 R CB -0.520 29.826 30.300 0.078 0.000 0.851 474 R HN 0.236 nan 8.270 nan 0.000 0.432 475 I N 0.927 121.512 120.570 0.025 0.000 2.163 475 I HA -0.277 3.893 4.170 0.001 0.000 0.243 475 I C 2.518 178.622 176.117 -0.022 0.000 1.085 475 I CA 1.447 62.742 61.300 -0.008 0.000 1.347 475 I CB -0.430 37.551 38.000 -0.031 0.000 1.044 475 I HN 0.349 nan 8.210 nan 0.000 0.408 476 A N 0.166 122.965 122.820 -0.034 0.000 1.908 476 A HA -0.311 4.009 4.320 0.001 0.000 0.218 476 A C 2.014 179.598 177.584 0.001 0.000 1.181 476 A CA 2.467 54.476 52.037 -0.047 0.000 0.627 476 A CB -0.701 18.234 19.000 -0.109 0.000 0.818 476 A HN 0.458 nan 8.150 nan 0.000 0.445 477 D N -1.093 119.333 120.400 0.043 0.000 2.194 477 D HA -0.073 4.567 4.640 0.001 0.000 0.204 477 D C 1.945 178.264 176.300 0.032 0.000 0.964 477 D CA 1.069 55.101 54.000 0.053 0.000 0.846 477 D CB 0.014 40.863 40.800 0.082 0.000 0.962 477 D HN 0.417 nan 8.370 nan 0.000 0.490 478 E N -0.969 119.246 120.200 0.025 0.000 2.170 478 E HA -0.023 4.327 4.350 0.001 0.000 0.191 478 E C 1.909 178.513 176.600 0.006 0.000 0.981 478 E CA 1.405 57.816 56.400 0.019 0.000 0.830 478 E CB 0.197 29.910 29.700 0.021 0.000 0.775 478 E HN 0.481 nan 8.360 nan 0.000 0.470 479 T N -4.265 110.283 114.554 -0.011 0.000 2.955 479 T HA 0.313 4.663 4.350 0.001 0.000 0.251 479 T C 1.528 176.203 174.700 -0.042 0.000 1.002 479 T CA 0.836 62.918 62.100 -0.031 0.000 0.970 479 T CB 0.864 69.696 68.868 -0.060 0.000 1.091 479 T HN 0.192 nan 8.240 nan 0.000 0.495 480 G N 1.482 110.260 108.800 -0.036 0.000 2.179 480 G HA2 -0.188 3.772 3.960 0.001 0.000 0.260 480 G HA3 -0.188 3.772 3.960 0.001 0.000 0.260 480 G C -0.132 174.727 174.900 -0.069 0.000 0.977 480 G CA 0.182 45.257 45.100 -0.042 0.000 0.641 480 G HN 0.644 nan 8.290 nan 0.000 0.533 481 I N 1.333 121.849 120.570 -0.089 0.000 2.336 481 I HA 0.511 4.682 4.170 0.001 0.000 0.292 481 I C 0.718 176.772 176.117 -0.106 0.000 0.991 481 I CA -1.026 60.208 61.300 -0.111 0.000 1.227 481 I CB 1.863 39.775 38.000 -0.148 0.000 1.366 481 I HN 0.276 nan 8.210 nan 0.000 0.466 482 V N 6.164 126.012 119.914 -0.110 0.000 2.439 482 V HA 0.608 4.729 4.120 0.001 0.000 0.282 482 V C -0.237 175.793 176.094 -0.107 0.000 1.039 482 V CA -0.597 61.624 62.300 -0.131 0.000 0.913 482 V CB 1.082 32.810 31.823 -0.157 0.000 0.983 482 V HN 0.537 nan 8.190 nan 0.000 0.460 483 L N 4.389 125.549 121.223 -0.105 0.000 2.358 483 L HA 0.580 4.920 4.340 0.001 0.000 0.268 483 L C -0.065 176.759 176.870 -0.077 0.000 1.032 483 L CA -0.899 53.897 54.840 -0.073 0.000 0.805 483 L CB 1.712 43.737 42.059 -0.056 0.000 1.253 483 L HN 0.542 nan 8.230 nan 0.000 0.452 484 L N 2.667 123.856 121.223 -0.057 0.000 2.371 484 L HA 0.300 4.641 4.340 0.001 0.000 0.272 484 L C -1.997 174.837 176.870 -0.060 0.000 1.124 484 L CA -1.736 53.064 54.840 -0.066 0.000 0.816 484 L CB 0.485 42.496 42.059 -0.081 0.000 1.129 484 L HN 0.317 nan 8.230 nan 0.000 0.448 485 P HA -0.013 nan 4.420 nan 0.000 0.269 485 P C 0.395 177.672 177.300 -0.038 0.000 1.209 485 P CA -0.124 62.957 63.100 -0.033 0.000 0.776 485 P CB 0.773 32.462 31.700 -0.019 0.000 0.876 486 G N 2.480 111.270 108.800 -0.017 0.000 2.985 486 G HA2 -0.007 3.954 3.960 0.001 0.000 0.209 486 G HA3 -0.007 3.954 3.960 0.001 0.000 0.209 486 G C 0.599 175.491 174.900 -0.014 0.000 1.165 486 G CA -0.276 44.808 45.100 -0.027 0.000 0.776 486 G HN 0.516 nan 8.290 nan 0.000 0.541 487 R N -0.942 119.571 120.500 0.022 0.000 2.577 487 R HA 0.713 5.054 4.340 0.001 0.000 0.269 487 R C 0.747 177.089 176.300 0.070 0.000 1.084 487 R CA -0.010 56.141 56.100 0.086 0.000 1.163 487 R CB 0.931 31.291 30.300 0.099 0.000 1.100 487 R HN 0.006 nan 8.270 nan 0.000 0.547 488 G N 0.434 109.338 108.800 0.174 0.000 3.249 488 G HA2 0.030 3.990 3.960 0.001 0.000 0.143 488 G HA3 0.030 3.990 3.960 0.001 0.000 0.143 488 G C 0.427 175.678 174.900 0.584 0.000 1.393 488 G CA -0.175 45.125 45.100 0.334 0.000 1.216 488 G HN 0.463 nan 8.290 nan 0.000 0.728 489 F N 2.054 122.093 119.950 0.148 0.000 2.113 489 F HA 0.286 4.813 4.527 0.001 0.000 0.297 489 F C 2.037 177.887 175.800 0.083 0.000 1.103 489 F CA 0.656 58.712 58.000 0.094 0.000 1.248 489 F CB -1.969 37.076 39.000 0.076 0.000 0.999 489 F HN 0.996 nan 8.300 nan 0.000 0.475 490 G N 0.421 109.320 108.800 0.166 0.000 2.634 490 G HA2 -0.292 3.669 3.960 0.001 0.000 0.309 490 G HA3 -0.292 3.669 3.960 0.001 0.000 0.309 490 G C 0.071 174.875 174.900 -0.160 0.000 1.265 490 G CA 1.334 46.374 45.100 -0.100 0.000 0.998 490 G HN 1.029 nan 8.290 nan 0.000 0.551 491 S N -0.433 115.236 115.700 -0.051 0.000 2.600 491 S HA 0.554 5.024 4.470 0.001 0.000 0.300 491 S C -0.485 174.115 174.600 0.001 0.000 1.087 491 S CA 0.189 58.362 58.200 -0.044 0.000 0.965 491 S CB 2.114 65.291 63.200 -0.038 0.000 1.089 491 S HN 0.555 nan 8.310 nan 0.000 0.496 492 D N 2.395 122.795 120.400 -0.001 0.000 2.608 492 D HA 0.092 4.733 4.640 0.001 0.000 0.224 492 D C 0.137 176.447 176.300 0.017 0.000 1.123 492 D CA 0.139 54.149 54.000 0.017 0.000 1.030 492 D CB 0.014 40.820 40.800 0.009 0.000 1.093 492 D HN 0.392 nan 8.370 nan 0.000 0.497 493 R N 2.169 122.689 120.500 0.034 0.000 2.449 493 R HA 0.101 4.441 4.340 0.001 0.000 0.296 493 R C -2.391 173.931 176.300 0.037 0.000 1.047 493 R CA -1.118 55.002 56.100 0.033 0.000 1.018 493 R CB 0.504 30.838 30.300 0.057 0.000 0.962 493 R HN -0.041 nan 8.270 nan 0.000 0.428 494 P HA 0.025 nan 4.420 nan 0.000 0.269 494 P C -1.294 176.026 177.300 0.033 0.000 1.263 494 P CA 0.318 63.428 63.100 0.016 0.000 0.813 494 P CB 0.843 32.539 31.700 -0.007 0.000 0.868 495 S N 2.026 117.749 115.700 0.037 0.000 2.565 495 S HA 0.843 5.313 4.470 0.001 0.000 0.269 495 S C -0.713 173.902 174.600 0.025 0.000 1.153 495 S CA -0.924 57.303 58.200 0.044 0.000 0.835 495 S CB 1.758 64.998 63.200 0.068 0.000 1.122 495 S HN 0.379 nan 8.310 nan 0.000 0.462 496 G N 0.271 109.083 108.800 0.021 0.000 2.571 496 G HA2 0.670 4.631 3.960 0.001 0.000 0.304 496 G HA3 0.670 4.631 3.960 0.001 0.000 0.304 496 G C -1.511 173.388 174.900 -0.001 0.000 1.314 496 G CA -0.981 44.118 45.100 -0.002 0.000 0.975 496 G HN 0.719 nan 8.290 nan 0.000 0.485 497 R N 0.238 120.725 120.500 -0.022 0.000 2.338 497 R HA 0.654 4.994 4.340 0.001 0.000 0.317 497 R C -0.044 176.272 176.300 0.027 0.000 0.968 497 R CA -0.215 55.878 56.100 -0.012 0.000 0.849 497 R CB 1.708 31.960 30.300 -0.080 0.000 1.128 497 R HN 0.673 nan 8.270 nan 0.000 0.448 498 A N 1.928 124.790 122.820 0.070 0.000 2.340 498 A HA 0.448 4.769 4.320 0.001 0.000 0.331 498 A C -0.543 177.143 177.584 0.170 0.000 1.140 498 A CA -0.549 51.549 52.037 0.103 0.000 0.801 498 A CB 1.779 20.838 19.000 0.098 0.000 1.234 498 A HN 0.587 nan 8.150 nan 0.000 0.469 499 S N 1.157 116.959 115.700 0.169 0.000 2.523 499 S HA 0.368 4.839 4.470 0.001 0.000 0.275 499 S C 0.629 175.205 174.600 -0.040 0.000 1.281 499 S CA -0.573 57.630 58.200 0.005 0.000 1.050 499 S CB -0.056 63.137 63.200 -0.012 0.000 0.937 499 S HN 0.556 nan 8.310 nan 0.000 0.492 500 L N 4.085 125.147 121.223 -0.268 0.000 2.591 500 L HA 0.201 4.541 4.340 0.001 0.000 0.228 500 L C 2.014 178.729 176.870 -0.257 0.000 1.133 500 L CA 0.366 55.022 54.840 -0.305 0.000 0.880 500 L CB -0.429 41.404 42.059 -0.377 0.000 1.033 500 L HN 0.814 nan 8.230 nan 0.000 0.450 501 A N 0.546 123.128 122.820 -0.397 0.000 2.140 501 A HA -0.006 4.315 4.320 0.001 0.000 0.209 501 A C 1.755 179.223 177.584 -0.193 0.000 1.181 501 A CA 0.505 52.327 52.037 -0.359 0.000 0.824 501 A CB -0.053 18.405 19.000 -0.903 0.000 0.879 501 A HN 0.518 nan 8.150 nan 0.000 0.480 502 N N -0.513 118.123 118.700 -0.107 0.000 2.220 502 N HA 0.222 4.962 4.740 0.001 0.000 0.195 502 N C 0.096 175.541 175.510 -0.108 0.000 1.123 502 N CA 0.097 53.081 53.050 -0.109 0.000 0.874 502 N CB -0.074 38.358 38.487 -0.092 0.000 0.995 502 N HN 0.379 nan 8.380 nan 0.000 0.498 503 L N -0.217 120.946 121.223 -0.101 0.000 2.256 503 L HA 0.465 4.805 4.340 0.001 0.000 0.261 503 L C -0.214 176.569 176.870 -0.145 0.000 1.022 503 L CA -1.077 53.566 54.840 -0.329 0.000 0.828 503 L CB 1.408 42.932 42.059 -0.891 0.000 1.374 503 L HN -0.100 nan 8.230 nan 0.000 0.436 504 N N -0.782 117.772 118.700 -0.244 0.000 2.502 504 N HA 0.184 4.925 4.740 0.001 0.000 0.280 504 N C 0.319 175.818 175.510 -0.018 0.000 1.223 504 N CA -0.740 52.287 53.050 -0.038 0.000 0.966 504 N CB 1.408 39.915 38.487 0.034 0.000 1.203 504 N HN 0.547 nan 8.380 nan 0.000 0.565 505 E N -0.081 120.214 120.200 0.158 0.000 2.058 505 E HA -0.275 4.075 4.350 0.001 0.000 0.194 505 E C 1.568 178.249 176.600 0.134 0.000 0.997 505 E CA 1.607 58.130 56.400 0.206 0.000 0.801 505 E CB -0.222 29.579 29.700 0.168 0.000 0.746 505 E HN 0.677 nan 8.360 nan 0.000 0.450 506 Y N 0.821 121.141 120.300 0.033 0.000 2.333 506 Y HA -0.074 4.477 4.550 0.001 0.000 0.290 506 Y C 1.601 177.480 175.900 -0.035 0.000 1.144 506 Y CA 1.014 59.117 58.100 0.004 0.000 1.228 506 Y CB -0.456 38.001 38.460 -0.006 0.000 0.985 506 Y HN -0.027 nan 8.280 nan 0.000 0.542 507 E N -0.348 119.383 120.200 -0.783 0.000 2.107 507 E HA -0.136 4.214 4.350 0.001 0.000 0.191 507 E C 1.640 177.973 176.600 -0.446 0.000 0.982 507 E CA 1.242 57.220 56.400 -0.702 0.000 0.809 507 E CB -0.328 28.859 29.700 -0.856 0.000 0.756 507 E HN 0.569 nan 8.360 nan 0.000 0.459 508 Y N 0.555 120.736 120.300 -0.199 0.000 2.242 508 Y HA -0.125 4.425 4.550 0.000 0.000 0.291 508 Y C 2.349 178.181 175.900 -0.113 0.000 1.137 508 Y CA 0.967 58.980 58.100 -0.145 0.000 1.181 508 Y CB -0.562 37.826 38.460 -0.121 0.000 0.989 508 Y HN 0.046 nan 8.280 nan 0.000 0.527 509 A N -0.017 122.844 122.820 0.067 0.000 1.933 509 A HA -0.090 4.230 4.320 0.001 0.000 0.218 509 A C 2.419 180.013 177.584 0.017 0.000 1.175 509 A CA 1.701 53.767 52.037 0.048 0.000 0.628 509 A CB -1.085 17.962 19.000 0.078 0.000 0.814 509 A HN 0.386 nan 8.150 nan 0.000 0.444 510 A N -0.186 122.627 122.820 -0.011 0.000 1.968 510 A HA 0.041 4.362 4.320 0.001 0.000 0.217 510 A C 2.056 179.620 177.584 -0.033 0.000 1.169 510 A CA 1.237 53.265 52.037 -0.014 0.000 0.638 510 A CB -0.510 18.475 19.000 -0.024 0.000 0.812 510 A HN 0.488 nan 8.150 nan 0.000 0.446 511 I N -0.257 120.277 120.570 -0.061 0.000 2.179 511 I HA -0.184 3.987 4.170 0.001 0.000 0.242 511 I C 2.717 178.806 176.117 -0.048 0.000 1.088 511 I CA 1.158 62.422 61.300 -0.060 0.000 1.357 511 I CB -0.663 37.292 38.000 -0.073 0.000 1.051 511 I HN 0.376 nan 8.210 nan 0.000 0.409 512 G N 0.558 109.328 108.800 -0.050 0.000 2.418 512 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 512 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 512 G C 1.796 176.689 174.900 -0.012 0.000 1.158 512 G CA 0.734 45.802 45.100 -0.053 0.000 0.771 512 G HN 0.262 nan 8.290 nan 0.000 0.545 513 R N 0.409 120.911 120.500 0.003 0.000 2.075 513 R HA 0.070 4.411 4.340 0.001 0.000 0.232 513 R C 2.873 179.189 176.300 0.026 0.000 1.126 513 R CA 1.411 57.523 56.100 0.020 0.000 0.963 513 R CB -0.346 29.969 30.300 0.025 0.000 0.858 513 R HN 0.288 nan 8.270 nan 0.000 0.435 514 A N 0.482 123.312 122.820 0.018 0.000 1.972 514 A HA -0.123 4.197 4.320 0.001 0.000 0.219 514 A C 1.887 179.493 177.584 0.036 0.000 1.169 514 A CA 0.954 53.006 52.037 0.025 0.000 0.635 514 A CB -0.340 18.667 19.000 0.012 0.000 0.810 514 A HN 0.327 nan 8.150 nan 0.000 0.446 515 L N -1.012 120.226 121.223 0.026 0.000 2.341 515 L HA 0.132 4.473 4.340 0.001 0.000 0.214 515 L C 2.186 179.097 176.870 0.068 0.000 1.115 515 L CA 1.434 56.297 54.840 0.040 0.000 0.820 515 L CB -0.616 41.451 42.059 0.012 0.000 0.944 515 L HN 0.400 nan 8.230 nan 0.000 0.452 516 R N 0.113 120.649 120.500 0.060 0.000 2.075 516 R HA -0.114 4.226 4.340 0.001 0.000 0.226 516 R C 2.214 178.579 176.300 0.109 0.000 1.114 516 R CA 1.802 57.950 56.100 0.081 0.000 0.972 516 R CB -0.449 29.882 30.300 0.052 0.000 0.869 516 R HN 0.653 nan 8.270 nan 0.000 0.437 517 Q N -0.311 119.542 119.800 0.089 0.000 2.124 517 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 517 Q C 2.068 178.138 176.000 0.116 0.000 0.977 517 Q CA 1.770 57.630 55.803 0.096 0.000 0.850 517 Q CB -0.519 28.262 28.738 0.072 0.000 0.901 517 Q HN 0.425 nan 8.270 nan 0.000 0.429 518 M N 0.753 120.420 119.600 0.111 0.000 2.117 518 M HA -0.136 4.345 4.480 0.001 0.000 0.262 518 M C 2.126 178.537 176.300 0.184 0.000 1.065 518 M CA 1.941 57.315 55.300 0.124 0.000 1.114 518 M CB -0.168 32.491 32.600 0.098 0.000 1.361 518 M HN 0.410 nan 8.290 nan 0.000 0.408 519 A N -0.090 122.861 122.820 0.217 0.000 1.929 519 A HA -0.152 4.168 4.320 0.001 0.000 0.216 519 A C 1.583 179.386 177.584 0.365 0.000 1.176 519 A CA 1.889 54.132 52.037 0.343 0.000 0.628 519 A CB -0.720 18.488 19.000 0.346 0.000 0.816 519 A HN 0.525 nan 8.150 nan 0.000 0.444 520 D N -0.159 120.400 120.400 0.264 0.000 2.144 520 D HA -0.082 4.558 4.640 0.001 0.000 0.200 520 D C 1.843 178.243 176.300 0.168 0.000 0.978 520 D CA 1.244 55.364 54.000 0.199 0.000 0.833 520 D CB -0.251 40.651 40.800 0.170 0.000 0.961 520 D HN 0.641 nan 8.370 nan 0.000 0.470 521 E N -0.237 120.070 120.200 0.178 0.000 2.216 521 E HA 0.003 4.354 4.350 0.001 0.000 0.192 521 E C 2.095 178.834 176.600 0.232 0.000 0.988 521 E CA 0.107 56.605 56.400 0.164 0.000 0.834 521 E CB 0.124 29.904 29.700 0.133 0.000 0.772 521 E HN 0.239 nan 8.360 nan 0.000 0.479 522 L N -0.216 121.207 121.223 0.333 0.000 2.109 522 L HA -0.156 4.185 4.340 0.001 0.000 0.207 522 L C 2.233 179.504 176.870 0.668 0.000 1.086 522 L CA 0.865 56.030 54.840 0.541 0.000 0.760 522 L CB -0.164 42.246 42.059 0.583 0.000 0.910 522 L HN 0.190 nan 8.230 nan 0.000 0.437 523 Y N 0.090 120.493 120.300 0.172 0.000 2.373 523 Y HA -0.080 4.471 4.550 0.001 0.000 0.293 523 Y C 2.305 178.125 175.900 -0.134 0.000 1.129 523 Y CA 0.776 58.668 58.100 -0.348 0.000 1.226 523 Y CB -0.036 37.689 38.460 -1.224 0.000 1.000 523 Y HN 0.096 nan 8.280 nan 0.000 0.549 524 A N -0.789 122.032 122.820 0.003 0.000 2.169 524 A HA -0.070 4.251 4.320 0.001 0.000 0.212 524 A C 1.905 179.485 177.584 -0.006 0.000 1.153 524 A CA 0.942 52.956 52.037 -0.037 0.000 0.756 524 A CB -0.371 18.644 19.000 0.025 0.000 0.813 524 A HN 0.553 nan 8.150 nan 0.000 0.471 525 Q N -2.378 117.481 119.800 0.098 0.000 2.282 525 Q HA 0.128 4.468 4.340 0.001 0.000 0.206 525 Q C 1.028 177.044 176.000 0.026 0.000 0.878 525 Q CA 0.030 55.917 55.803 0.139 0.000 0.944 525 Q CB 0.061 28.988 28.738 0.315 0.000 1.100 525 Q HN 0.735 nan 8.270 nan 0.000 0.509 526 Y N -0.828 119.296 120.300 -0.293 0.000 2.422 526 Y HA 0.242 4.793 4.550 0.001 0.000 0.291 526 Y C 0.985 176.580 175.900 -0.509 0.000 1.144 526 Y CA 0.804 58.542 58.100 -0.604 0.000 1.208 526 Y CB 0.200 38.364 38.460 -0.493 0.000 1.195 526 Y HN -0.109 nan 8.280 nan 0.000 0.535 527 T N 2.021 116.300 114.554 -0.459 0.000 2.865 527 T HA 0.445 4.795 4.350 0.001 0.000 0.302 527 T C -0.949 173.577 174.700 -0.290 0.000 1.078 527 T CA -0.049 61.782 62.100 -0.448 0.000 0.942 527 T CB 0.854 69.446 68.868 -0.460 0.000 1.387 527 T HN 0.413 nan 8.240 nan 0.000 0.557 528 Q N 0.000 119.671 119.800 -0.215 0.000 2.315 528 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 528 Q CA 0.000 55.721 55.803 -0.137 0.000 1.022 528 Q CB 0.000 28.666 28.738 -0.120 0.000 1.108 528 Q HN 0.000 nan 8.270 nan 0.000 0.481