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 2vsf_1_A DATA FIRST_RESID 23 DATA SEQUENCE YGVALESPTG SGKTIMALKS ALQYSSERKL KVLYLVRTNS QEEQVIKELR DATA SEQUENCE SLSSTMKIRA IPMQGRVNMC ILYRMVDDLH EINAESLAKF CNMKKREVMA DATA SEQUENCE GNEAACPYFN FKIRSDETKR FLFDELPTAE EFYDYGERNN VCPYESMKAA DATA SEQUENCE LPDADIVIAP YAYFLNRSVA EKFLSHWGVS RNQIVIILDE AHNLPDIGRS DATA SEQUENCE IGSFRISVES LNRADREAQA YGDPELSQKI HVSDLIEMIR SALQSMVSER DATA SEQUENCE CGKGDVRIRF QEFMEYMRIM NKRSEREIRS LLNYLYLFGE YVENEKEKVG DATA SEQUENCE KVPFSYCSSV ASRIIAFSDQ DEEKYAAILS PEDGGYMQAA CLDPSGILEV DATA SEQUENCE LKESKTIHMS GTLDPFDFYS DITGFEIPFK KIGEIFPPEN RYIAYYDGVS DATA SEQUENCE SKYDTLDEKE LDRMATVIED IILKVKKNTI VYFPSYSLMD RVENRVSFEH DATA SEQUENCE MKEYRGIDQK ELYSMLKKFR RDHGTIFAVS GGRLSEGXXX XXNELEMIIL DATA SEQUENCE AGLPFPRPDA INRSLFDYYE RKYGKGWEYS VVYPTAIKIR QEIGRLIRSA DATA SEQUENCE EDTGACVILD KRAGQFRKFI PDMKKTSDPA SDIYNFFISA QAR 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 23 Y HA 0.000 nan 4.550 nan 0.000 0.201 23 Y C 0.000 175.971 175.900 0.118 0.000 1.272 23 Y CA 0.000 58.136 58.100 0.060 0.000 1.940 23 Y CB 0.000 38.491 38.460 0.051 0.000 1.050 24 G N 0.416 109.237 108.800 0.036 0.000 2.684 24 G HA2 0.666 4.631 3.960 0.008 0.000 0.290 24 G HA3 0.666 4.631 3.960 0.008 0.000 0.290 24 G C -2.057 172.888 174.900 0.076 0.000 1.425 24 G CA -0.693 44.531 45.100 0.206 0.000 0.822 24 G HN 0.388 nan 8.290 nan 0.000 0.482 25 V N -0.539 119.462 119.914 0.146 0.000 2.851 25 V HA 0.780 4.904 4.120 0.008 0.000 0.307 25 V C -0.042 176.101 176.094 0.082 0.000 1.129 25 V CA -0.763 61.562 62.300 0.042 0.000 0.932 25 V CB 1.508 33.336 31.823 0.008 0.000 1.024 25 V HN 1.491 nan 8.190 nan 0.000 0.426 26 A N 4.760 127.553 122.820 -0.044 0.000 2.271 26 A HA 0.940 5.265 4.320 0.008 0.000 0.317 26 A C -1.095 176.419 177.584 -0.117 0.000 1.245 26 A CA -0.362 51.681 52.037 0.010 0.000 0.857 26 A CB 0.740 19.746 19.000 0.010 0.000 1.175 26 A HN 0.732 nan 8.150 nan 0.000 0.512 27 L N 1.532 122.725 121.223 -0.050 0.000 2.342 27 L HA 0.530 4.875 4.340 0.008 0.000 0.271 27 L C 0.214 177.042 176.870 -0.069 0.000 1.008 27 L CA 0.013 54.767 54.840 -0.143 0.000 0.818 27 L CB 2.006 44.014 42.059 -0.085 0.000 1.296 27 L HN 0.707 nan 8.230 nan 0.000 0.427 28 E N 1.260 121.377 120.200 -0.139 0.000 2.182 28 E HA 0.407 4.762 4.350 0.008 0.000 0.258 28 E C -1.220 175.331 176.600 -0.082 0.000 0.879 28 E CA -0.309 56.064 56.400 -0.045 0.000 0.754 28 E CB 1.838 31.551 29.700 0.021 0.000 1.162 28 E HN 0.585 nan 8.360 nan 0.000 0.419 29 S N 2.785 118.454 115.700 -0.053 0.000 2.454 29 S HA 0.555 5.030 4.470 0.008 0.000 0.306 29 S C -2.574 171.967 174.600 -0.097 0.000 1.100 29 S CA -1.783 56.369 58.200 -0.080 0.000 1.087 29 S CB 1.499 64.678 63.200 -0.034 0.000 1.019 29 S HN 0.150 nan 8.310 nan 0.000 0.480 30 P HA 0.080 nan 4.420 nan 0.000 0.261 30 P C 0.057 177.346 177.300 -0.018 0.000 1.173 30 P CA 0.332 63.271 63.100 -0.268 0.000 0.760 30 P CB 0.021 31.132 31.700 -0.982 0.000 0.783 31 T N 1.916 116.523 114.554 0.088 0.000 2.855 31 T HA 0.368 4.722 4.350 0.008 0.000 0.322 31 T C 0.630 175.422 174.700 0.153 0.000 1.088 31 T CA 0.919 63.086 62.100 0.110 0.000 1.104 31 T CB -0.196 68.733 68.868 0.102 0.000 0.996 31 T HN 0.882 nan 8.240 nan 0.000 0.549 32 G N 1.383 110.250 108.800 0.111 0.000 2.999 32 G HA2 0.146 4.110 3.960 0.008 0.000 0.686 32 G HA3 0.146 4.110 3.960 0.008 0.000 0.686 32 G C 0.074 175.031 174.900 0.095 0.000 1.057 32 G CA -0.043 45.118 45.100 0.102 0.000 0.784 32 G HN 2.211 nan 8.290 nan 0.000 0.575 33 S N 0.081 115.822 115.700 0.070 0.000 3.242 33 S HA 0.294 4.768 4.470 0.008 0.000 0.357 33 S C 2.028 176.666 174.600 0.063 0.000 0.897 33 S CA 1.636 59.870 58.200 0.056 0.000 1.349 33 S CB -1.240 61.989 63.200 0.048 0.000 0.981 33 S HN 3.076 nan 8.310 nan 0.000 0.558 34 G N 3.634 112.468 108.800 0.058 0.000 3.819 34 G HA2 -0.114 3.850 3.960 0.008 0.000 0.210 34 G HA3 -0.114 3.850 3.960 0.008 0.000 0.210 34 G C 0.668 175.602 174.900 0.058 0.000 1.018 34 G CA 0.578 45.713 45.100 0.059 0.000 0.882 34 G HN 1.051 nan 8.290 nan 0.000 0.377 35 K N 0.725 121.164 120.400 0.063 0.000 2.117 35 K HA -0.250 4.075 4.320 0.008 0.000 0.215 35 K C 2.200 178.856 176.600 0.093 0.000 1.053 35 K CA 2.845 59.176 56.287 0.073 0.000 0.935 35 K CB -0.952 31.598 32.500 0.083 0.000 0.719 35 K HN 0.643 nan 8.250 nan 0.000 0.460 36 T N -1.858 112.747 114.554 0.085 0.000 3.037 36 T HA 0.203 4.558 4.350 0.008 0.000 0.252 36 T C 1.956 176.720 174.700 0.107 0.000 1.073 36 T CA 0.051 62.223 62.100 0.120 0.000 1.091 36 T CB -0.159 68.704 68.868 -0.007 0.000 0.935 36 T HN 0.234 nan 8.240 nan 0.000 0.488 37 I N 1.020 121.629 120.570 0.064 0.000 2.286 37 I HA -0.057 4.117 4.170 0.008 0.000 0.245 37 I C 2.701 178.855 176.117 0.062 0.000 1.104 37 I CA 1.298 62.632 61.300 0.056 0.000 1.397 37 I CB -0.345 37.678 38.000 0.039 0.000 1.072 37 I HN 0.214 nan 8.210 nan 0.000 0.417 38 M N 0.384 120.019 119.600 0.058 0.000 2.213 38 M HA -0.189 4.296 4.480 0.008 0.000 0.263 38 M C 2.516 178.848 176.300 0.054 0.000 1.062 38 M CA 1.742 57.069 55.300 0.045 0.000 1.105 38 M CB -0.518 32.102 32.600 0.032 0.000 1.385 38 M HN 0.320 nan 8.290 nan 0.000 0.417 39 A N 0.692 123.563 122.820 0.086 0.000 1.845 39 A HA -0.146 4.179 4.320 0.008 0.000 0.215 39 A C 1.953 179.583 177.584 0.078 0.000 1.195 39 A CA 1.550 53.642 52.037 0.091 0.000 0.616 39 A CB -0.817 18.285 19.000 0.170 0.000 0.832 39 A HN 0.369 nan 8.150 nan 0.000 0.443 40 L N -0.262 121.026 121.223 0.108 0.000 2.201 40 L HA -0.095 4.250 4.340 0.008 0.000 0.212 40 L C 2.278 179.184 176.870 0.060 0.000 1.105 40 L CA 1.682 56.574 54.840 0.088 0.000 0.775 40 L CB -0.364 41.758 42.059 0.105 0.000 0.913 40 L HN 0.317 nan 8.230 nan 0.000 0.440 41 K N -0.906 119.525 120.400 0.053 0.000 2.365 41 K HA -0.002 4.323 4.320 0.008 0.000 0.199 41 K C 1.616 178.234 176.600 0.029 0.000 1.045 41 K CA 1.216 57.526 56.287 0.037 0.000 0.962 41 K CB -0.002 32.517 32.500 0.031 0.000 0.759 41 K HN 0.407 nan 8.250 nan 0.000 0.469 42 S N -1.366 114.353 115.700 0.031 0.000 2.593 42 S HA 0.346 4.821 4.470 0.008 0.000 0.236 42 S C 0.745 175.365 174.600 0.034 0.000 0.991 42 S CA -0.272 57.942 58.200 0.023 0.000 0.963 42 S CB 1.242 64.447 63.200 0.007 0.000 0.865 42 S HN 0.137 nan 8.310 nan 0.000 0.488 43 A N 0.489 123.335 122.820 0.043 0.000 2.569 43 A HA 0.552 4.877 4.320 0.008 0.000 0.284 43 A C 0.859 178.481 177.584 0.064 0.000 0.948 43 A CA -0.246 51.820 52.037 0.048 0.000 1.007 43 A CB -0.165 18.843 19.000 0.014 0.000 1.232 43 A HN 0.357 nan 8.150 nan 0.000 0.530 44 L N -0.131 121.128 121.223 0.061 0.000 2.395 44 L HA 0.084 4.428 4.340 0.008 0.000 0.218 44 L C 0.737 177.650 176.870 0.071 0.000 1.130 44 L CA 0.955 55.830 54.840 0.059 0.000 0.826 44 L CB -0.164 41.920 42.059 0.042 0.000 0.941 44 L HN 0.410 nan 8.230 nan 0.000 0.451 45 Q N -0.185 119.670 119.800 0.091 0.000 2.283 45 Q HA -0.099 4.246 4.340 0.008 0.000 0.301 45 Q C 0.346 176.515 176.000 0.280 0.000 1.063 45 Q CA 0.579 56.468 55.803 0.144 0.000 0.952 45 Q CB -0.147 28.701 28.738 0.183 0.000 1.166 45 Q HN 0.330 nan 8.270 nan 0.000 0.381 46 Y N 0.910 121.211 120.300 0.000 0.000 2.763 46 Y HA -0.525 4.029 4.550 0.008 0.000 0.475 46 Y C 2.113 178.009 175.900 -0.007 0.000 1.111 46 Y CA 1.838 59.937 58.100 -0.003 0.000 2.854 46 Y CB -1.993 36.468 38.460 0.001 0.000 1.106 46 Y HN 0.744 nan 8.280 nan 0.000 0.605 47 S N -1.561 114.250 115.700 0.186 0.000 4.121 47 S HA -0.428 4.047 4.470 0.008 0.000 0.536 47 S C 1.381 176.014 174.600 0.056 0.000 1.276 47 S CA 4.070 62.324 58.200 0.090 0.000 3.653 47 S CB -1.595 61.646 63.200 0.069 0.000 1.971 47 S HN 1.391 nan 8.310 nan 0.000 0.457 48 S N 0.493 116.215 115.700 0.038 0.000 2.787 48 S HA 0.268 4.743 4.470 0.008 0.000 0.255 48 S C 1.014 175.614 174.600 -0.001 0.000 1.051 48 S CA 0.612 58.819 58.200 0.011 0.000 1.124 48 S CB 0.324 63.528 63.200 0.007 0.000 1.104 48 S HN 0.824 nan 8.310 nan 0.000 0.623 49 E N 1.764 121.961 120.200 -0.005 0.000 2.285 49 E HA 0.043 4.398 4.350 0.008 0.000 0.194 49 E C 1.317 177.900 176.600 -0.030 0.000 0.997 49 E CA 0.265 56.648 56.400 -0.028 0.000 0.845 49 E CB -0.170 29.498 29.700 -0.052 0.000 0.782 49 E HN 0.376 nan 8.360 nan 0.000 0.491 50 R N 0.433 120.928 120.500 -0.009 0.000 2.935 50 R HA 0.158 4.503 4.340 0.008 0.000 0.354 50 R C -0.224 176.084 176.300 0.013 0.000 1.206 50 R CA 0.103 56.207 56.100 0.007 0.000 1.082 50 R CB 0.445 30.768 30.300 0.039 0.000 1.431 50 R HN 0.033 nan 8.270 nan 0.000 0.582 51 K N -0.304 120.089 120.400 -0.012 0.000 3.580 51 K HA -0.232 4.092 4.320 0.008 0.000 0.288 51 K C -0.375 176.186 176.600 -0.065 0.000 1.160 51 K CA 1.278 57.541 56.287 -0.040 0.000 1.053 51 K CB -1.434 31.039 32.500 -0.046 0.000 1.362 51 K HN 0.332 nan 8.250 nan 0.000 0.436 52 L N 1.440 122.646 121.223 -0.029 0.000 2.499 52 L HA 0.036 4.380 4.340 0.008 0.000 0.281 52 L C 0.862 177.661 176.870 -0.118 0.000 1.234 52 L CA 0.422 55.228 54.840 -0.057 0.000 0.839 52 L CB 0.151 42.224 42.059 0.023 0.000 1.104 52 L HN 0.079 nan 8.230 nan 0.000 0.500 53 K N 1.755 122.025 120.400 -0.216 0.000 2.164 53 K HA 0.462 4.786 4.320 0.008 0.000 0.258 53 K C -0.894 175.659 176.600 -0.079 0.000 0.951 53 K CA -0.707 55.417 56.287 -0.272 0.000 0.844 53 K CB 2.330 34.302 32.500 -0.879 0.000 1.099 53 K HN 0.235 nan 8.250 nan 0.000 0.435 54 V N 3.881 123.835 119.914 0.066 0.000 2.333 54 V HA 0.200 4.325 4.120 0.008 0.000 0.274 54 V C -0.286 175.933 176.094 0.209 0.000 1.028 54 V CA -0.913 61.440 62.300 0.087 0.000 0.851 54 V CB 0.905 32.780 31.823 0.086 0.000 1.000 54 V HN 0.477 nan 8.190 nan 0.000 0.456 55 L N 6.040 127.332 121.223 0.116 0.000 2.295 55 L HA 0.546 4.891 4.340 0.008 0.000 0.285 55 L C -1.090 175.733 176.870 -0.078 0.000 1.035 55 L CA -0.380 54.531 54.840 0.118 0.000 0.806 55 L CB 1.136 43.229 42.059 0.057 0.000 1.214 55 L HN 0.570 nan 8.230 nan 0.000 0.426 56 Y N 5.465 125.732 120.300 -0.054 0.000 2.356 56 Y HA 0.498 5.053 4.550 0.008 0.000 0.334 56 Y C -0.494 175.276 175.900 -0.216 0.000 0.958 56 Y CA -0.540 57.493 58.100 -0.111 0.000 1.196 56 Y CB 1.303 39.720 38.460 -0.070 0.000 1.137 56 Y HN 0.465 nan 8.280 nan 0.000 0.485 57 L N 6.136 127.236 121.223 -0.206 0.000 2.312 57 L HA 0.692 5.036 4.340 0.008 0.000 0.281 57 L C -0.609 175.894 176.870 -0.612 0.000 1.070 57 L CA -1.080 53.416 54.840 -0.574 0.000 0.805 57 L CB 0.977 42.444 42.059 -0.986 0.000 1.174 57 L HN 0.348 nan 8.230 nan 0.000 0.434 58 V N 0.311 119.937 119.914 -0.480 0.000 2.841 58 V HA 0.507 4.631 4.120 0.008 0.000 0.310 58 V C 0.241 176.416 176.094 0.135 0.000 1.090 58 V CA -0.893 61.355 62.300 -0.088 0.000 0.930 58 V CB 2.052 33.859 31.823 -0.026 0.000 1.014 58 V HN 0.796 nan 8.190 nan 0.000 0.425 59 R N 1.995 122.682 120.500 0.312 0.000 2.043 59 R HA 0.156 4.500 4.340 0.008 0.000 0.221 59 R C 1.123 177.504 176.300 0.136 0.000 1.196 59 R CA 1.454 57.724 56.100 0.282 0.000 0.949 59 R CB -0.216 30.181 30.300 0.163 0.000 0.838 59 R HN 0.997 nan 8.270 nan 0.000 0.446 60 T N -0.465 114.143 114.554 0.090 0.000 2.918 60 T HA 0.080 4.435 4.350 0.008 0.000 0.283 60 T C 0.765 175.491 174.700 0.044 0.000 1.001 60 T CA -0.584 61.549 62.100 0.056 0.000 1.041 60 T CB 1.220 70.114 68.868 0.044 0.000 1.028 60 T HN 0.433 nan 8.240 nan 0.000 0.511 61 N N 0.681 119.400 118.700 0.031 0.000 2.396 61 N HA -0.104 4.640 4.740 0.008 0.000 0.180 61 N C 1.781 177.308 175.510 0.029 0.000 1.028 61 N CA 1.162 54.225 53.050 0.022 0.000 0.893 61 N CB -0.854 37.642 38.487 0.016 0.000 0.967 61 N HN 0.551 nan 8.380 nan 0.000 0.440 62 S N 0.778 116.502 115.700 0.040 0.000 2.356 62 S HA -0.150 4.325 4.470 0.008 0.000 0.223 62 S C 1.838 176.463 174.600 0.043 0.000 1.032 62 S CA 1.133 59.364 58.200 0.051 0.000 1.005 62 S CB -0.174 63.060 63.200 0.057 0.000 0.867 62 S HN 0.442 nan 8.310 nan 0.000 0.449 63 Q N 0.601 120.426 119.800 0.042 0.000 2.079 63 Q HA -0.110 4.234 4.340 0.008 0.000 0.200 63 Q C 2.252 178.255 176.000 0.004 0.000 0.974 63 Q CA 1.462 57.288 55.803 0.038 0.000 0.840 63 Q CB -0.291 28.483 28.738 0.060 0.000 0.898 63 Q HN 0.662 nan 8.270 nan 0.000 0.430 64 E N 1.268 121.466 120.200 -0.003 0.000 2.068 64 E HA -0.318 4.037 4.350 0.008 0.000 0.207 64 E C 1.892 178.457 176.600 -0.058 0.000 1.032 64 E CA 1.927 58.303 56.400 -0.041 0.000 0.839 64 E CB -0.016 29.666 29.700 -0.031 0.000 0.758 64 E HN 0.559 nan 8.360 nan 0.000 0.457 65 E N -0.504 119.680 120.200 -0.027 0.000 2.208 65 E HA -0.198 4.157 4.350 0.008 0.000 0.193 65 E C 1.950 178.531 176.600 -0.033 0.000 0.988 65 E CA 0.661 57.044 56.400 -0.029 0.000 0.828 65 E CB -0.089 29.612 29.700 0.000 0.000 0.763 65 E HN 0.217 nan 8.360 nan 0.000 0.478 66 Q N 0.881 120.670 119.800 -0.019 0.000 2.224 66 Q HA -0.044 4.301 4.340 0.008 0.000 0.203 66 Q C 2.419 178.387 176.000 -0.055 0.000 0.970 66 Q CA 1.048 56.842 55.803 -0.015 0.000 0.865 66 Q CB -0.280 28.466 28.738 0.015 0.000 0.922 66 Q HN 0.312 nan 8.270 nan 0.000 0.445 67 V N 0.853 120.705 119.914 -0.104 0.000 2.283 67 V HA -0.171 3.953 4.120 0.008 0.000 0.243 67 V C 2.316 178.288 176.094 -0.204 0.000 1.039 67 V CA 1.226 63.398 62.300 -0.214 0.000 1.016 67 V CB -0.519 31.084 31.823 -0.367 0.000 0.650 67 V HN 0.217 nan 8.190 nan 0.000 0.449 68 I N -0.353 120.118 120.570 -0.166 0.000 2.226 68 I HA -0.213 3.962 4.170 0.008 0.000 0.245 68 I C 2.665 178.721 176.117 -0.101 0.000 1.100 68 I CA 1.380 62.596 61.300 -0.140 0.000 1.374 68 I CB -0.477 37.451 38.000 -0.120 0.000 1.057 68 I HN 0.264 nan 8.210 nan 0.000 0.413 69 K N 0.723 121.078 120.400 -0.075 0.000 2.113 69 K HA -0.199 4.126 4.320 0.008 0.000 0.208 69 K C 1.918 178.489 176.600 -0.048 0.000 1.047 69 K CA 1.353 57.609 56.287 -0.051 0.000 0.928 69 K CB -0.233 32.249 32.500 -0.030 0.000 0.716 69 K HN 0.449 nan 8.250 nan 0.000 0.446 70 E N 0.904 121.069 120.200 -0.057 0.000 2.015 70 E HA -0.123 4.232 4.350 0.008 0.000 0.191 70 E C 2.324 178.897 176.600 -0.046 0.000 0.991 70 E CA 0.712 57.085 56.400 -0.045 0.000 0.802 70 E CB -0.328 29.342 29.700 -0.050 0.000 0.759 70 E HN 0.245 nan 8.360 nan 0.000 0.447 71 L N 0.725 121.903 121.223 -0.076 0.000 2.051 71 L HA -0.240 4.105 4.340 0.008 0.000 0.214 71 L C 2.748 179.594 176.870 -0.040 0.000 1.076 71 L CA 1.355 56.161 54.840 -0.056 0.000 0.758 71 L CB -0.422 41.586 42.059 -0.086 0.000 0.890 71 L HN 0.092 nan 8.230 nan 0.000 0.433 72 R N -0.711 119.757 120.500 -0.053 0.000 2.081 72 R HA -0.128 4.216 4.340 0.008 0.000 0.235 72 R C 2.489 178.772 176.300 -0.029 0.000 1.131 72 R CA 1.638 57.709 56.100 -0.048 0.000 0.960 72 R CB -0.327 29.937 30.300 -0.060 0.000 0.856 72 R HN 0.318 nan 8.270 nan 0.000 0.436 73 S N 1.127 116.813 115.700 -0.024 0.000 2.368 73 S HA -0.044 4.431 4.470 0.008 0.000 0.225 73 S C 1.856 176.453 174.600 -0.006 0.000 1.030 73 S CA 0.951 59.143 58.200 -0.013 0.000 0.999 73 S CB -0.094 63.101 63.200 -0.008 0.000 0.844 73 S HN 0.247 nan 8.310 nan 0.000 0.459 74 L N 2.210 123.432 121.223 -0.003 0.000 2.478 74 L HA 0.009 4.354 4.340 0.008 0.000 0.223 74 L C 2.577 179.451 176.870 0.007 0.000 1.140 74 L CA 0.784 55.627 54.840 0.006 0.000 0.842 74 L CB -0.914 41.154 42.059 0.014 0.000 0.953 74 L HN 0.436 nan 8.230 nan 0.000 0.452 75 S N -0.052 115.649 115.700 0.001 0.000 2.383 75 S HA -0.225 4.250 4.470 0.008 0.000 0.229 75 S C 2.189 176.791 174.600 0.002 0.000 1.030 75 S CA 1.521 59.723 58.200 0.003 0.000 1.002 75 S CB -0.510 62.687 63.200 -0.004 0.000 0.829 75 S HN 0.549 nan 8.310 nan 0.000 0.467 76 S N 1.001 116.701 115.700 -0.000 0.000 2.461 76 S HA -0.049 4.426 4.470 0.008 0.000 0.228 76 S C 1.742 176.343 174.600 0.002 0.000 1.005 76 S CA 1.078 59.279 58.200 -0.000 0.000 0.942 76 S CB -1.214 61.985 63.200 -0.001 0.000 0.776 76 S HN 0.602 nan 8.310 nan 0.000 0.514 77 T N 2.295 116.852 114.554 0.005 0.000 2.588 77 T HA 0.146 4.500 4.350 0.008 0.000 0.261 77 T C 0.845 175.549 174.700 0.007 0.000 1.069 77 T CA 1.022 63.126 62.100 0.007 0.000 1.172 77 T CB -0.207 68.667 68.868 0.010 0.000 0.863 77 T HN 0.313 nan 8.240 nan 0.000 0.408 78 M N -0.388 119.218 119.600 0.009 0.000 2.683 78 M HA 0.350 4.835 4.480 0.008 0.000 0.274 78 M C -0.864 175.442 176.300 0.010 0.000 1.272 78 M CA -0.995 54.310 55.300 0.008 0.000 0.833 78 M CB 2.048 34.654 32.600 0.010 0.000 1.708 78 M HN -0.037 nan 8.290 nan 0.000 0.463 79 K N 2.717 123.120 120.400 0.006 0.000 2.451 79 K HA 0.388 4.713 4.320 0.008 0.000 0.280 79 K C -1.255 175.355 176.600 0.016 0.000 1.020 79 K CA 0.376 56.665 56.287 0.003 0.000 1.008 79 K CB -0.091 32.404 32.500 -0.008 0.000 0.917 79 K HN 0.639 nan 8.250 nan 0.000 0.478 80 I N 1.540 122.124 120.570 0.025 0.000 2.667 80 I HA 0.345 4.519 4.170 0.008 0.000 0.288 80 I C -0.934 175.230 176.117 0.079 0.000 1.267 80 I CA -0.970 60.361 61.300 0.052 0.000 1.055 80 I CB 1.857 39.893 38.000 0.060 0.000 1.294 80 I HN 0.389 nan 8.210 nan 0.000 0.429 81 R N 4.563 125.127 120.500 0.107 0.000 2.278 81 R HA 0.781 5.126 4.340 0.008 0.000 0.322 81 R C -0.472 176.059 176.300 0.385 0.000 1.058 81 R CA -0.465 55.763 56.100 0.213 0.000 0.991 81 R CB 1.747 32.021 30.300 -0.044 0.000 1.140 81 R HN 0.822 nan 8.270 nan 0.000 0.518 82 A N 3.902 126.915 122.820 0.322 0.000 2.340 82 A HA 0.799 5.124 4.320 0.008 0.000 0.331 82 A C -0.283 177.219 177.584 -0.136 0.000 1.140 82 A CA -0.851 51.257 52.037 0.118 0.000 0.801 82 A CB 0.847 19.872 19.000 0.042 0.000 1.234 82 A HN 0.784 nan 8.150 nan 0.000 0.469 83 I N -0.623 119.829 120.570 -0.196 0.000 2.722 83 I HA 0.662 4.837 4.170 0.008 0.000 0.295 83 I C -2.940 173.016 176.117 -0.268 0.000 1.161 83 I CA -2.579 58.490 61.300 -0.385 0.000 1.032 83 I CB 2.788 40.466 38.000 -0.537 0.000 1.244 83 I HN 0.345 nan 8.210 nan 0.000 0.421 84 P HA 0.329 nan 4.420 nan 0.000 0.278 84 P C -1.142 176.023 177.300 -0.224 0.000 1.238 84 P CA -0.264 62.712 63.100 -0.206 0.000 0.794 84 P CB 1.525 33.131 31.700 -0.156 0.000 0.955 85 M N 2.514 121.966 119.600 -0.247 0.000 2.327 85 M HA 0.380 4.864 4.480 0.008 0.000 0.298 85 M C -1.066 174.937 176.300 -0.495 0.000 1.065 85 M CA 0.003 55.102 55.300 -0.335 0.000 0.916 85 M CB 2.054 34.449 32.600 -0.341 0.000 1.630 85 M HN 0.309 nan 8.290 nan 0.000 0.442 86 Q N 1.541 121.074 119.800 -0.446 0.000 2.511 86 Q HA 0.737 5.082 4.340 0.008 0.000 0.289 86 Q C -0.485 175.377 176.000 -0.230 0.000 1.021 86 Q CA -1.049 54.470 55.803 -0.473 0.000 0.785 86 Q CB 2.261 30.907 28.738 -0.152 0.000 1.472 86 Q HN 0.974 nan 8.270 nan 0.000 0.411 87 G N 0.189 108.958 108.800 -0.052 0.000 2.569 87 G HA2 0.078 4.042 3.960 0.008 0.000 0.249 87 G HA3 0.078 4.042 3.960 0.008 0.000 0.249 87 G C 0.427 175.401 174.900 0.124 0.000 1.216 87 G CA -0.163 45.091 45.100 0.257 0.000 0.845 87 G HN 0.614 nan 8.290 nan 0.000 0.568 88 R N -0.009 120.420 120.500 -0.117 0.000 2.140 88 R HA -0.181 4.163 4.340 0.008 0.000 0.250 88 R C 2.607 178.904 176.300 -0.004 0.000 1.150 88 R CA 1.555 57.539 56.100 -0.193 0.000 0.966 88 R CB -0.722 29.356 30.300 -0.371 0.000 0.869 88 R HN 0.409 nan 8.270 nan 0.000 0.445 89 V N 1.768 121.659 119.914 -0.039 0.000 2.439 89 V HA -0.291 3.834 4.120 0.008 0.000 0.253 89 V C 1.729 177.918 176.094 0.158 0.000 1.074 89 V CA 1.930 64.224 62.300 -0.010 0.000 1.076 89 V CB -0.488 31.322 31.823 -0.022 0.000 0.664 89 V HN 0.401 nan 8.190 nan 0.000 0.461 90 N N -1.284 117.487 118.700 0.119 0.000 2.499 90 N HA 0.106 4.851 4.740 0.008 0.000 0.182 90 N C 1.561 177.154 175.510 0.138 0.000 1.034 90 N CA 0.768 53.867 53.050 0.081 0.000 0.882 90 N CB 0.051 38.558 38.487 0.033 0.000 1.125 90 N HN 0.328 nan 8.380 nan 0.000 0.436 91 M N 0.294 120.030 119.600 0.226 0.000 2.441 91 M HA 0.137 4.622 4.480 0.008 0.000 0.244 91 M C 0.445 176.949 176.300 0.341 0.000 1.122 91 M CA -0.196 55.312 55.300 0.346 0.000 1.041 91 M CB -0.697 32.115 32.600 0.354 0.000 1.438 91 M HN -0.009 nan 8.290 nan 0.000 0.484 92 C N 1.839 121.320 119.300 0.303 0.000 2.482 92 C HA 0.289 4.754 4.460 0.008 0.000 0.378 92 C C 1.915 177.077 174.990 0.287 0.000 1.284 92 C CA -0.488 58.705 59.018 0.290 0.000 1.826 92 C CB -0.652 27.291 27.740 0.338 0.000 2.473 92 C HN 0.523 nan 8.230 nan 0.000 0.562 93 I N 4.131 124.749 120.570 0.080 0.000 2.339 93 I HA -0.053 4.122 4.170 0.008 0.000 0.245 93 I C 2.152 178.293 176.117 0.041 0.000 1.096 93 I CA 0.647 61.895 61.300 -0.087 0.000 1.408 93 I CB -0.440 37.152 38.000 -0.679 0.000 1.092 93 I HN 0.677 nan 8.210 nan 0.000 0.423 94 L N 1.271 122.625 121.223 0.219 0.000 2.043 94 L HA -0.271 4.074 4.340 0.008 0.000 0.212 94 L C 2.640 179.662 176.870 0.253 0.000 1.075 94 L CA 2.063 57.108 54.840 0.343 0.000 0.752 94 L CB -0.913 41.416 42.059 0.449 0.000 0.891 94 L HN 0.448 nan 8.230 nan 0.000 0.432 95 Y N -0.953 119.434 120.300 0.145 0.000 2.421 95 Y HA -0.096 4.458 4.550 0.008 0.000 0.292 95 Y C 2.228 178.058 175.900 -0.116 0.000 1.136 95 Y CA 1.056 59.083 58.100 -0.121 0.000 1.255 95 Y CB -0.643 37.633 38.460 -0.305 0.000 0.991 95 Y HN 0.071 nan 8.280 nan 0.000 0.552 96 R N -0.666 119.515 120.500 -0.532 0.000 2.240 96 R HA 0.081 4.426 4.340 0.008 0.000 0.203 96 R C 1.637 177.838 176.300 -0.164 0.000 1.011 96 R CA 1.200 57.038 56.100 -0.437 0.000 1.007 96 R CB -0.135 29.892 30.300 -0.454 0.000 0.911 96 R HN 0.389 nan 8.270 nan 0.000 0.468 97 M N -1.000 118.560 119.600 -0.066 0.000 2.299 97 M HA -0.029 4.455 4.480 0.008 0.000 0.264 97 M C 1.890 178.198 176.300 0.013 0.000 1.095 97 M CA 1.084 56.382 55.300 -0.003 0.000 1.165 97 M CB 0.246 32.877 32.600 0.052 0.000 1.349 97 M HN -0.127 nan 8.290 nan 0.000 0.446 98 V N -0.563 119.377 119.914 0.044 0.000 2.427 98 V HA -0.141 3.983 4.120 0.008 0.000 0.248 98 V C 0.684 176.785 176.094 0.011 0.000 1.051 98 V CA 1.243 63.580 62.300 0.063 0.000 1.048 98 V CB -0.420 31.498 31.823 0.159 0.000 0.666 98 V HN 0.393 nan 8.190 nan 0.000 0.456 99 D N -1.899 118.480 120.400 -0.036 0.000 2.626 99 D HA 0.369 5.014 4.640 0.008 0.000 0.278 99 D C -1.743 174.517 176.300 -0.066 0.000 1.211 99 D CA -0.479 53.493 54.000 -0.047 0.000 0.903 99 D CB 2.275 43.031 40.800 -0.073 0.000 1.408 99 D HN -0.020 nan 8.370 nan 0.000 0.454 100 D N 1.358 121.715 120.400 -0.071 0.000 2.337 100 D HA 0.294 4.938 4.640 0.008 0.000 0.238 100 D C -0.691 175.510 176.300 -0.164 0.000 1.331 100 D CA -0.162 53.777 54.000 -0.100 0.000 0.967 100 D CB 0.934 41.680 40.800 -0.091 0.000 1.382 100 D HN 0.191 nan 8.370 nan 0.000 0.549 101 L N 1.028 122.162 121.223 -0.150 0.000 2.344 101 L HA 0.435 4.780 4.340 0.008 0.000 0.272 101 L C 1.459 178.218 176.870 -0.184 0.000 1.035 101 L CA -0.630 54.097 54.840 -0.188 0.000 0.807 101 L CB 1.262 43.198 42.059 -0.204 0.000 1.237 101 L HN 0.346 nan 8.230 nan 0.000 0.442 102 H N -1.066 118.073 119.070 0.115 0.000 2.544 102 H HA 0.088 4.649 4.556 0.008 0.000 0.269 102 H C -0.428 174.917 175.328 0.028 0.000 0.970 102 H CA 0.118 56.207 56.048 0.069 0.000 1.219 102 H CB 0.342 30.152 29.762 0.081 0.000 1.421 102 H HN 0.558 nan 8.280 nan 0.000 0.555 103 E N 0.643 120.865 120.200 0.036 0.000 2.393 103 E HA 0.598 4.953 4.350 0.008 0.000 0.273 103 E C -1.097 174.964 176.600 -0.899 0.000 0.918 103 E CA -0.918 55.359 56.400 -0.205 0.000 0.773 103 E CB 2.999 32.731 29.700 0.053 0.000 1.275 103 E HN 0.039 nan 8.360 nan 0.000 0.451 104 I N 0.987 121.063 120.570 -0.824 0.000 3.099 104 I HA 0.350 4.524 4.170 0.008 0.000 0.308 104 I C -2.238 173.663 176.117 -0.360 0.000 1.405 104 I CA -0.729 59.970 61.300 -1.001 0.000 0.953 104 I CB 2.528 40.159 38.000 -0.615 0.000 1.324 104 I HN 0.904 nan 8.210 nan 0.000 0.495 105 N N 2.747 121.350 118.700 -0.161 0.000 2.825 105 N HA 0.540 5.285 4.740 0.008 0.000 0.253 105 N C -0.135 175.333 175.510 -0.071 0.000 1.426 105 N CA -0.181 52.851 53.050 -0.031 0.000 0.851 105 N CB 1.463 40.012 38.487 0.103 0.000 1.470 105 N HN 0.547 nan 8.380 nan 0.000 0.517 106 A N -0.140 122.651 122.820 -0.049 0.000 1.940 106 A HA -0.211 4.114 4.320 0.008 0.000 0.219 106 A C 1.775 179.332 177.584 -0.044 0.000 1.176 106 A CA 1.898 53.902 52.037 -0.056 0.000 0.631 106 A CB -1.014 17.976 19.000 -0.017 0.000 0.814 106 A HN 0.863 nan 8.150 nan 0.000 0.446 107 E N 0.407 120.596 120.200 -0.018 0.000 2.023 107 E HA -0.223 4.131 4.350 0.008 0.000 0.196 107 E C 2.295 178.885 176.600 -0.017 0.000 1.003 107 E CA 2.020 58.412 56.400 -0.013 0.000 0.809 107 E CB -0.158 29.536 29.700 -0.010 0.000 0.755 107 E HN 0.750 nan 8.360 nan 0.000 0.449 108 S N 0.192 115.888 115.700 -0.007 0.000 2.383 108 S HA -0.142 4.332 4.470 0.008 0.000 0.227 108 S C 2.018 176.610 174.600 -0.014 0.000 1.026 108 S CA 0.761 58.959 58.200 -0.005 0.000 0.981 108 S CB -0.325 62.913 63.200 0.063 0.000 0.818 108 S HN 0.182 nan 8.310 nan 0.000 0.472 109 L N 2.112 123.286 121.223 -0.082 0.000 2.131 109 L HA 0.157 4.502 4.340 0.008 0.000 0.210 109 L C 2.907 179.794 176.870 0.027 0.000 1.092 109 L CA 1.111 55.915 54.840 -0.061 0.000 0.759 109 L CB -1.665 40.253 42.059 -0.235 0.000 0.903 109 L HN 0.451 nan 8.230 nan 0.000 0.435 110 A N -0.249 122.560 122.820 -0.019 0.000 1.841 110 A HA -0.255 4.070 4.320 0.008 0.000 0.216 110 A C 2.300 179.884 177.584 0.000 0.000 1.199 110 A CA 1.949 53.978 52.037 -0.013 0.000 0.621 110 A CB -0.467 18.533 19.000 -0.001 0.000 0.835 110 A HN 0.397 nan 8.150 nan 0.000 0.445 111 K N -1.333 119.074 120.400 0.011 0.000 2.020 111 K HA -0.215 4.109 4.320 0.008 0.000 0.212 111 K C 1.866 178.479 176.600 0.021 0.000 1.050 111 K CA 1.778 58.069 56.287 0.005 0.000 0.929 111 K CB -0.617 31.884 32.500 0.001 0.000 0.714 111 K HN 0.484 nan 8.250 nan 0.000 0.443 112 F N 2.064 121.967 119.950 -0.078 0.000 2.043 112 F HA -0.354 4.178 4.527 0.008 0.000 0.297 112 F C 2.632 178.389 175.800 -0.072 0.000 1.118 112 F CA 1.789 59.748 58.000 -0.069 0.000 1.202 112 F CB -0.949 38.007 39.000 -0.073 0.000 0.965 112 F HN 0.182 nan 8.300 nan 0.000 0.482 113 C N 1.596 120.738 119.300 -0.264 0.000 2.453 113 C HA -0.147 4.318 4.460 0.008 0.000 0.277 113 C C 2.772 177.553 174.990 -0.349 0.000 1.262 113 C CA 1.586 60.362 59.018 -0.402 0.000 1.718 113 C CB -1.707 25.944 27.740 -0.149 0.000 2.031 113 C HN 0.617 nan 8.230 nan 0.000 0.480 114 N N 0.680 119.256 118.700 -0.206 0.000 2.137 114 N HA -0.208 4.537 4.740 0.008 0.000 0.190 114 N C 1.709 177.101 175.510 -0.196 0.000 1.017 114 N CA 2.021 54.968 53.050 -0.171 0.000 0.859 114 N CB -0.691 37.748 38.487 -0.080 0.000 1.002 114 N HN 0.692 nan 8.380 nan 0.000 0.428 115 M N 0.707 120.188 119.600 -0.200 0.000 2.175 115 M HA -0.095 4.390 4.480 0.008 0.000 0.264 115 M C 1.566 177.726 176.300 -0.233 0.000 1.063 115 M CA 1.358 56.551 55.300 -0.178 0.000 1.119 115 M CB 0.175 32.691 32.600 -0.141 0.000 1.377 115 M HN -0.124 nan 8.290 nan 0.000 0.415 116 K N 0.769 120.949 120.400 -0.366 0.000 2.057 116 K HA -0.131 4.194 4.320 0.008 0.000 0.207 116 K C 1.840 178.243 176.600 -0.330 0.000 1.049 116 K CA 1.526 57.595 56.287 -0.364 0.000 0.931 116 K CB -0.423 31.769 32.500 -0.513 0.000 0.714 116 K HN 0.433 nan 8.250 nan 0.000 0.440 117 K N 0.486 120.599 120.400 -0.478 0.000 2.147 117 K HA -0.115 4.209 4.320 0.008 0.000 0.205 117 K C 2.295 178.753 176.600 -0.236 0.000 1.049 117 K CA 1.048 56.943 56.287 -0.652 0.000 0.936 117 K CB -0.075 31.856 32.500 -0.947 0.000 0.722 117 K HN 0.057 nan 8.250 nan 0.000 0.446 118 R N 1.309 121.707 120.500 -0.169 0.000 2.082 118 R HA -0.167 4.178 4.340 0.008 0.000 0.234 118 R C 1.977 178.253 176.300 -0.041 0.000 1.136 118 R CA 1.879 57.936 56.100 -0.072 0.000 0.935 118 R CB -0.031 30.227 30.300 -0.071 0.000 0.842 118 R HN 0.237 nan 8.270 nan 0.000 0.430 119 E N -0.546 119.615 120.200 -0.065 0.000 2.160 119 E HA -0.175 4.179 4.350 0.008 0.000 0.195 119 E C 1.938 178.536 176.600 -0.003 0.000 0.991 119 E CA 1.456 57.834 56.400 -0.036 0.000 0.810 119 E CB 0.082 29.749 29.700 -0.055 0.000 0.742 119 E HN 0.169 nan 8.360 nan 0.000 0.466 120 V N 0.731 120.652 119.914 0.013 0.000 2.283 120 V HA -0.245 3.879 4.120 0.008 0.000 0.243 120 V C 2.260 178.425 176.094 0.118 0.000 1.039 120 V CA 1.675 64.031 62.300 0.094 0.000 1.016 120 V CB -0.330 31.630 31.823 0.229 0.000 0.650 120 V HN 0.237 nan 8.190 nan 0.000 0.449 121 M N 0.401 120.089 119.600 0.146 0.000 2.213 121 M HA -0.078 4.407 4.480 0.008 0.000 0.263 121 M C 2.004 178.348 176.300 0.072 0.000 1.062 121 M CA 1.839 57.219 55.300 0.134 0.000 1.105 121 M CB -0.584 32.109 32.600 0.155 0.000 1.385 121 M HN 0.329 nan 8.290 nan 0.000 0.417 122 A N -1.596 121.252 122.820 0.047 0.000 1.969 122 A HA 0.269 4.594 4.320 0.008 0.000 0.218 122 A C 1.955 179.555 177.584 0.027 0.000 1.169 122 A CA 1.503 53.557 52.037 0.029 0.000 0.635 122 A CB -0.650 18.358 19.000 0.014 0.000 0.810 122 A HN 0.641 nan 8.150 nan 0.000 0.445 123 G N -1.649 107.169 108.800 0.031 0.000 3.246 123 G HA2 -0.121 3.843 3.960 0.008 0.000 0.218 123 G HA3 -0.121 3.843 3.960 0.008 0.000 0.218 123 G C 0.064 174.976 174.900 0.021 0.000 0.978 123 G CA 0.114 45.229 45.100 0.025 0.000 0.825 123 G HN 0.479 nan 8.290 nan 0.000 0.546 124 N N 0.980 119.691 118.700 0.018 0.000 2.918 124 N HA 0.334 5.079 4.740 0.008 0.000 0.247 124 N C 1.085 176.604 175.510 0.015 0.000 1.117 124 N CA -0.120 52.936 53.050 0.010 0.000 1.005 124 N CB 0.460 38.946 38.487 -0.000 0.000 1.297 124 N HN 0.345 nan 8.380 nan 0.000 0.513 125 E N 1.550 121.762 120.200 0.019 0.000 2.160 125 E HA -0.201 4.153 4.350 0.008 0.000 0.195 125 E C 1.898 178.494 176.600 -0.007 0.000 0.991 125 E CA 1.209 57.624 56.400 0.024 0.000 0.810 125 E CB 0.085 29.797 29.700 0.020 0.000 0.742 125 E HN 0.698 nan 8.360 nan 0.000 0.466 126 A N 1.357 124.165 122.820 -0.021 0.000 1.972 126 A HA -0.147 4.177 4.320 0.008 0.000 0.219 126 A C 2.368 179.925 177.584 -0.045 0.000 1.169 126 A CA 1.461 53.473 52.037 -0.042 0.000 0.635 126 A CB -0.701 18.280 19.000 -0.031 0.000 0.810 126 A HN 0.310 nan 8.150 nan 0.000 0.446 127 A N -1.304 121.498 122.820 -0.029 0.000 1.894 127 A HA -0.212 4.112 4.320 0.008 0.000 0.220 127 A C 1.601 179.156 177.584 -0.049 0.000 1.237 127 A CA 1.738 53.753 52.037 -0.037 0.000 0.660 127 A CB -1.118 17.855 19.000 -0.044 0.000 0.835 127 A HN 1.276 nan 8.150 nan 0.000 0.461 128 C N -0.246 119.026 119.300 -0.046 0.000 2.478 128 C HA 0.616 5.081 4.460 0.008 0.000 0.334 128 C C -2.070 172.872 174.990 -0.080 0.000 1.106 128 C CA -1.249 57.743 59.018 -0.044 0.000 1.363 128 C CB 1.242 28.972 27.740 -0.016 0.000 1.941 128 C HN 0.398 nan 8.230 nan 0.000 0.436 129 P HA 0.005 nan 4.420 nan 0.000 0.242 129 P C 0.333 177.399 177.300 -0.389 0.000 1.197 129 P CA 1.013 63.898 63.100 -0.357 0.000 0.765 129 P CB -0.242 31.167 31.700 -0.485 0.000 0.936 130 Y N -2.155 118.164 120.300 0.031 0.000 2.457 130 Y HA 0.248 4.803 4.550 0.008 0.000 0.263 130 Y C 0.757 176.703 175.900 0.077 0.000 1.164 130 Y CA -0.673 57.431 58.100 0.006 0.000 1.274 130 Y CB 0.018 38.471 38.460 -0.011 0.000 1.097 130 Y HN -0.174 nan 8.280 nan 0.000 0.523 131 F N 4.100 124.070 119.950 0.033 0.000 2.325 131 F HA 0.394 4.925 4.527 0.008 0.000 0.369 131 F C -0.287 175.514 175.800 0.002 0.000 1.095 131 F CA -1.091 56.924 58.000 0.024 0.000 1.082 131 F CB -0.052 38.961 39.000 0.022 0.000 1.289 131 F HN 0.104 nan 8.300 nan 0.000 0.462 132 N N 3.614 122.077 118.700 -0.395 0.000 3.378 132 N HA 0.110 4.855 4.740 0.008 0.000 0.294 132 N C 0.526 175.870 175.510 -0.276 0.000 1.544 132 N CA -0.669 52.219 53.050 -0.270 0.000 0.872 132 N CB 0.418 38.822 38.487 -0.139 0.000 1.670 132 N HN 0.358 nan 8.380 nan 0.000 0.551 133 F N 0.578 120.440 119.950 -0.146 0.000 2.192 133 F HA 0.058 4.590 4.527 0.008 0.000 0.301 133 F C 1.816 177.580 175.800 -0.060 0.000 1.079 133 F CA 0.921 58.862 58.000 -0.098 0.000 1.303 133 F CB -0.451 38.515 39.000 -0.057 0.000 1.024 133 F HN 0.330 nan 8.300 nan 0.000 0.494 134 K N 1.430 121.211 120.400 -1.032 0.000 2.281 134 K HA -0.099 4.226 4.320 0.008 0.000 0.203 134 K C 2.053 178.519 176.600 -0.225 0.000 1.046 134 K CA 1.804 57.681 56.287 -0.684 0.000 0.938 134 K CB -0.707 31.373 32.500 -0.700 0.000 0.737 134 K HN 0.649 nan 8.250 nan 0.000 0.458 135 I N -1.367 119.094 120.570 -0.182 0.000 2.423 135 I HA -0.241 3.934 4.170 0.008 0.000 0.254 135 I C 1.522 177.644 176.117 0.007 0.000 1.151 135 I CA 1.420 62.689 61.300 -0.053 0.000 1.421 135 I CB -0.102 37.857 38.000 -0.068 0.000 1.079 135 I HN -0.061 nan 8.210 nan 0.000 0.431 136 R N 1.101 121.606 120.500 0.007 0.000 2.472 136 R HA 0.271 4.616 4.340 0.008 0.000 0.279 136 R C 0.571 176.929 176.300 0.096 0.000 0.953 136 R CA 0.264 56.398 56.100 0.058 0.000 1.088 136 R CB 0.374 30.706 30.300 0.054 0.000 1.197 136 R HN 0.530 nan 8.270 nan 0.000 0.536 137 S N -0.072 115.690 115.700 0.105 0.000 2.603 137 S HA 0.091 4.565 4.470 0.008 0.000 0.268 137 S C 0.471 175.156 174.600 0.142 0.000 1.317 137 S CA -0.752 57.541 58.200 0.155 0.000 1.012 137 S CB 1.286 64.605 63.200 0.200 0.000 0.926 137 S HN -0.033 nan 8.310 nan 0.000 0.539 138 D N 1.147 121.631 120.400 0.139 0.000 2.123 138 D HA -0.151 4.493 4.640 0.008 0.000 0.196 138 D C 1.689 178.078 176.300 0.148 0.000 0.992 138 D CA 1.744 55.820 54.000 0.128 0.000 0.833 138 D CB -0.467 40.396 40.800 0.105 0.000 0.954 138 D HN 0.888 nan 8.370 nan 0.000 0.455 139 E N 0.033 120.329 120.200 0.160 0.000 2.070 139 E HA -0.185 4.170 4.350 0.008 0.000 0.197 139 E C 1.793 178.534 176.600 0.235 0.000 1.004 139 E CA 1.873 58.385 56.400 0.185 0.000 0.805 139 E CB 0.105 29.911 29.700 0.177 0.000 0.744 139 E HN 0.157 nan 8.360 nan 0.000 0.451 140 T N 0.802 115.495 114.554 0.232 0.000 2.674 140 T HA -0.125 4.229 4.350 0.008 0.000 0.265 140 T C 1.719 176.537 174.700 0.196 0.000 1.039 140 T CA 1.444 63.713 62.100 0.282 0.000 1.150 140 T CB -0.142 68.876 68.868 0.249 0.000 0.864 140 T HN 0.159 nan 8.240 nan 0.000 0.427 141 K N 0.581 121.079 120.400 0.164 0.000 2.148 141 K HA 0.030 4.355 4.320 0.008 0.000 0.204 141 K C 2.627 179.349 176.600 0.203 0.000 1.050 141 K CA 0.549 56.934 56.287 0.162 0.000 0.942 141 K CB -0.049 32.581 32.500 0.216 0.000 0.724 141 K HN 0.105 nan 8.250 nan 0.000 0.446 142 R N 0.605 121.213 120.500 0.180 0.000 2.070 142 R HA -0.120 4.224 4.340 0.008 0.000 0.233 142 R C 2.151 178.514 176.300 0.106 0.000 1.137 142 R CA 1.230 57.425 56.100 0.157 0.000 0.945 142 R CB -0.918 29.469 30.300 0.144 0.000 0.845 142 R HN 0.211 nan 8.270 nan 0.000 0.430 143 F N 1.702 121.610 119.950 -0.069 0.000 2.091 143 F HA -0.212 4.320 4.527 0.008 0.000 0.299 143 F C 2.258 177.888 175.800 -0.283 0.000 1.103 143 F CA 1.480 59.354 58.000 -0.210 0.000 1.228 143 F CB -0.442 38.260 39.000 -0.496 0.000 0.984 143 F HN -0.078 nan 8.300 nan 0.000 0.477 144 L N -1.423 119.611 121.223 -0.314 0.000 2.079 144 L HA -0.254 4.091 4.340 0.008 0.000 0.210 144 L C 2.252 178.738 176.870 -0.641 0.000 1.081 144 L CA 1.607 56.047 54.840 -0.667 0.000 0.752 144 L CB -0.643 40.897 42.059 -0.865 0.000 0.896 144 L HN 0.162 nan 8.230 nan 0.000 0.433 145 F N -0.997 118.821 119.950 -0.220 0.000 2.437 145 F HA -0.029 4.503 4.527 0.008 0.000 0.288 145 F C 2.077 177.785 175.800 -0.154 0.000 1.085 145 F CA 0.194 58.099 58.000 -0.160 0.000 1.430 145 F CB -0.003 38.941 39.000 -0.094 0.000 1.120 145 F HN -0.017 nan 8.300 nan 0.000 0.556 146 D N -0.210 120.208 120.400 0.031 0.000 2.234 146 D HA -0.090 4.554 4.640 0.008 0.000 0.205 146 D C 1.708 177.942 176.300 -0.110 0.000 0.962 146 D CA 0.992 54.982 54.000 -0.017 0.000 0.855 146 D CB 0.013 40.819 40.800 0.010 0.000 0.951 146 D HN 0.316 nan 8.370 nan 0.000 0.500 147 E N -0.639 119.405 120.200 -0.261 0.000 2.399 147 E HA 0.131 4.486 4.350 0.008 0.000 0.205 147 E C -0.088 176.286 176.600 -0.376 0.000 0.906 147 E CA -0.156 56.030 56.400 -0.355 0.000 0.998 147 E CB 0.614 29.959 29.700 -0.592 0.000 1.002 147 E HN -0.096 nan 8.360 nan 0.000 0.501 148 L N 1.563 122.528 121.223 -0.431 0.000 3.671 148 L HA -0.120 4.225 4.340 0.008 0.000 0.609 148 L C -2.610 174.068 176.870 -0.321 0.000 1.251 148 L CA 0.216 54.847 54.840 -0.349 0.000 0.934 148 L CB -0.973 40.964 42.059 -0.203 0.000 1.496 148 L HN 0.072 nan 8.230 nan 0.000 0.854 149 P HA 0.338 nan 4.420 nan 0.000 0.276 149 P C 0.067 177.305 177.300 -0.103 0.000 1.261 149 P CA 0.077 63.062 63.100 -0.192 0.000 0.800 149 P CB 0.450 32.112 31.700 -0.062 0.000 1.066 150 T N -3.125 111.419 114.554 -0.018 0.000 2.754 150 T HA 0.343 4.697 4.350 0.008 0.000 0.286 150 T C 1.536 176.277 174.700 0.068 0.000 0.997 150 T CA 0.064 62.164 62.100 -0.000 0.000 0.982 150 T CB -0.095 68.783 68.868 0.017 0.000 1.027 150 T HN 0.415 nan 8.240 nan 0.000 0.529 151 A N -0.327 122.525 122.820 0.054 0.000 1.898 151 A HA -0.031 4.294 4.320 0.008 0.000 0.216 151 A C 2.317 180.003 177.584 0.171 0.000 1.181 151 A CA 1.682 53.789 52.037 0.115 0.000 0.620 151 A CB -1.123 17.903 19.000 0.044 0.000 0.819 151 A HN 1.030 nan 8.150 nan 0.000 0.442 152 E N -0.106 120.156 120.200 0.103 0.000 2.077 152 E HA -0.227 4.128 4.350 0.008 0.000 0.193 152 E C 1.875 178.578 176.600 0.171 0.000 0.989 152 E CA 1.398 57.853 56.400 0.093 0.000 0.800 152 E CB -0.121 29.604 29.700 0.042 0.000 0.746 152 E HN 0.748 nan 8.360 nan 0.000 0.452 153 E N -0.534 119.773 120.200 0.179 0.000 2.106 153 E HA -0.158 4.196 4.350 0.008 0.000 0.192 153 E C 1.749 178.560 176.600 0.352 0.000 0.984 153 E CA 0.773 57.312 56.400 0.231 0.000 0.806 153 E CB -0.125 29.693 29.700 0.196 0.000 0.750 153 E HN 0.263 nan 8.360 nan 0.000 0.458 154 F N 0.095 120.162 119.950 0.196 0.000 2.367 154 F HA -0.101 4.431 4.527 0.008 0.000 0.298 154 F C 1.928 177.845 175.800 0.195 0.000 1.094 154 F CA 0.689 58.822 58.000 0.221 0.000 1.409 154 F CB -0.256 38.815 39.000 0.119 0.000 1.064 154 F HN -0.005 nan 8.300 nan 0.000 0.528 155 Y N 1.141 121.439 120.300 -0.004 0.000 2.097 155 Y HA -0.275 4.280 4.550 0.008 0.000 0.282 155 Y C 2.300 178.114 175.900 -0.143 0.000 1.152 155 Y CA 2.251 60.279 58.100 -0.121 0.000 1.136 155 Y CB -0.528 37.906 38.460 -0.043 0.000 0.975 155 Y HN -0.016 nan 8.280 nan 0.000 0.498 156 D N -0.826 119.671 120.400 0.161 0.000 2.123 156 D HA -0.259 4.385 4.640 0.008 0.000 0.196 156 D C 1.909 178.158 176.300 -0.085 0.000 0.992 156 D CA 1.745 55.779 54.000 0.057 0.000 0.833 156 D CB -0.942 39.925 40.800 0.112 0.000 0.954 156 D HN 0.489 nan 8.370 nan 0.000 0.455 157 Y N 1.566 121.738 120.300 -0.212 0.000 2.053 157 Y HA -0.244 4.311 4.550 0.008 0.000 0.277 157 Y C 2.454 178.081 175.900 -0.455 0.000 1.159 157 Y CA 2.461 60.331 58.100 -0.383 0.000 1.125 157 Y CB -0.712 37.436 38.460 -0.520 0.000 0.969 157 Y HN -0.007 nan 8.280 nan 0.000 0.492 158 G N -0.665 107.840 108.800 -0.491 0.000 2.469 158 G HA2 -0.361 3.604 3.960 0.008 0.000 0.219 158 G HA3 -0.361 3.604 3.960 0.008 0.000 0.219 158 G C 1.528 176.110 174.900 -0.529 0.000 1.150 158 G CA 1.100 45.853 45.100 -0.579 0.000 0.763 158 G HN 0.550 nan 8.290 nan 0.000 0.561 159 E N 0.547 120.423 120.200 -0.540 0.000 2.023 159 E HA -0.212 4.143 4.350 0.008 0.000 0.196 159 E C 2.649 179.098 176.600 -0.253 0.000 1.003 159 E CA 1.524 57.667 56.400 -0.429 0.000 0.809 159 E CB -0.130 29.372 29.700 -0.330 0.000 0.755 159 E HN 0.603 nan 8.360 nan 0.000 0.449 160 R N -0.057 120.288 120.500 -0.258 0.000 2.148 160 R HA 0.014 4.358 4.340 0.008 0.000 0.223 160 R C 1.501 177.649 176.300 -0.254 0.000 1.088 160 R CA 1.428 57.401 56.100 -0.211 0.000 0.985 160 R CB -0.202 29.980 30.300 -0.196 0.000 0.880 160 R HN 0.066 nan 8.270 nan 0.000 0.451 161 N N 1.180 119.645 118.700 -0.391 0.000 2.336 161 N HA 0.019 4.763 4.740 0.008 0.000 0.189 161 N C -0.612 174.755 175.510 -0.238 0.000 1.113 161 N CA 0.151 52.962 53.050 -0.397 0.000 0.858 161 N CB 0.009 38.072 38.487 -0.706 0.000 0.970 161 N HN 0.343 nan 8.380 nan 0.000 0.471 162 N N 0.489 119.116 118.700 -0.122 0.000 2.714 162 N HA -0.178 4.566 4.740 0.008 0.000 0.253 162 N C -1.260 174.284 175.510 0.057 0.000 1.024 162 N CA 0.194 53.293 53.050 0.081 0.000 0.726 162 N CB -0.771 37.712 38.487 -0.006 0.000 0.908 162 N HN -0.007 nan 8.380 nan 0.000 0.542 163 V N 0.726 120.624 119.914 -0.026 0.000 2.777 163 V HA 0.309 4.434 4.120 0.008 0.000 0.306 163 V C -0.098 175.926 176.094 -0.116 0.000 1.112 163 V CA -0.894 61.360 62.300 -0.076 0.000 0.917 163 V CB 1.754 33.470 31.823 -0.178 0.000 1.018 163 V HN 0.422 nan 8.190 nan 0.000 0.426 164 C N 9.740 129.047 119.300 0.011 0.000 2.638 164 C HA 0.363 4.828 4.460 0.008 0.000 0.410 164 C C -0.766 174.197 174.990 -0.046 0.000 1.404 164 C CA -0.521 58.495 59.018 -0.003 0.000 1.651 164 C CB 0.442 28.298 27.740 0.195 0.000 2.495 164 C HN 0.872 nan 8.230 nan 0.000 0.606 165 P HA -0.135 nan 4.420 nan 0.000 0.215 165 P C 1.297 178.722 177.300 0.208 0.000 1.157 165 P CA 1.501 64.533 63.100 -0.115 0.000 0.868 165 P CB -0.223 31.383 31.700 -0.156 0.000 0.788 166 Y N 1.437 121.798 120.300 0.101 0.000 2.070 166 Y HA -0.230 4.324 4.550 0.008 0.000 0.280 166 Y C 2.294 178.266 175.900 0.119 0.000 1.148 166 Y CA 1.810 59.981 58.100 0.119 0.000 1.125 166 Y CB -0.805 37.722 38.460 0.110 0.000 0.975 166 Y HN -0.144 nan 8.280 nan 0.000 0.492 167 E N 0.001 120.328 120.200 0.212 0.000 2.118 167 E HA -0.199 4.156 4.350 0.008 0.000 0.195 167 E C 2.382 178.993 176.600 0.018 0.000 0.992 167 E CA 1.462 57.930 56.400 0.113 0.000 0.804 167 E CB -0.483 29.401 29.700 0.307 0.000 0.741 167 E HN 0.482 nan 8.360 nan 0.000 0.458 168 S N 0.717 116.477 115.700 0.100 0.000 2.359 168 S HA -0.145 4.330 4.470 0.008 0.000 0.224 168 S C 2.044 176.668 174.600 0.040 0.000 1.035 168 S CA 1.285 59.572 58.200 0.144 0.000 1.018 168 S CB -0.180 63.245 63.200 0.374 0.000 0.876 168 S HN 0.241 nan 8.310 nan 0.000 0.448 169 M N 1.118 120.720 119.600 0.004 0.000 2.067 169 M HA -0.160 4.325 4.480 0.008 0.000 0.260 169 M C 2.329 178.495 176.300 -0.224 0.000 1.069 169 M CA 1.575 56.772 55.300 -0.172 0.000 1.117 169 M CB -0.480 32.013 32.600 -0.179 0.000 1.334 169 M HN 0.192 nan 8.290 nan 0.000 0.407 170 K N 0.633 120.839 120.400 -0.324 0.000 2.152 170 K HA -0.162 4.162 4.320 0.008 0.000 0.206 170 K C 1.842 178.343 176.600 -0.164 0.000 1.048 170 K CA 1.509 57.607 56.287 -0.315 0.000 0.933 170 K CB -0.079 32.115 32.500 -0.510 0.000 0.721 170 K HN 0.309 nan 8.250 nan 0.000 0.447 171 A N 0.820 123.582 122.820 -0.095 0.000 1.929 171 A HA 0.014 4.338 4.320 0.008 0.000 0.216 171 A C 2.241 179.840 177.584 0.025 0.000 1.176 171 A CA 1.511 53.543 52.037 -0.009 0.000 0.628 171 A CB -0.546 18.467 19.000 0.021 0.000 0.816 171 A HN 0.462 nan 8.150 nan 0.000 0.444 172 A N -0.991 121.826 122.820 -0.005 0.000 2.123 172 A HA 0.216 4.540 4.320 0.008 0.000 0.214 172 A C 1.950 179.591 177.584 0.095 0.000 1.152 172 A CA 1.104 53.174 52.037 0.056 0.000 0.728 172 A CB -0.435 18.494 19.000 -0.119 0.000 0.814 172 A HN 0.488 nan 8.150 nan 0.000 0.464 173 L N 0.697 121.910 121.223 -0.017 0.000 2.012 173 L HA -0.060 4.285 4.340 0.008 0.000 0.210 173 L C -0.875 176.070 176.870 0.125 0.000 1.073 173 L CA 2.424 57.221 54.840 -0.072 0.000 0.748 173 L CB -0.969 40.961 42.059 -0.215 0.000 0.891 173 L HN 0.184 nan 8.230 nan 0.000 0.431 174 P HA -0.095 nan 4.420 nan 0.000 0.222 174 P C 0.266 177.719 177.300 0.255 0.000 1.147 174 P CA 1.367 64.635 63.100 0.281 0.000 0.790 174 P CB -0.079 31.733 31.700 0.187 0.000 0.780 175 D N -0.799 119.732 120.400 0.218 0.000 2.395 175 D HA 0.222 4.866 4.640 0.008 0.000 0.226 175 D C 0.305 176.727 176.300 0.202 0.000 1.146 175 D CA 0.078 54.169 54.000 0.151 0.000 0.830 175 D CB 0.398 41.241 40.800 0.072 0.000 0.958 175 D HN 0.098 nan 8.370 nan 0.000 0.501 176 A N 0.822 123.866 122.820 0.374 0.000 2.288 176 A HA 0.269 4.594 4.320 0.008 0.000 0.320 176 A C 0.684 178.554 177.584 0.476 0.000 1.217 176 A CA -0.623 51.689 52.037 0.458 0.000 0.840 176 A CB 1.291 20.535 19.000 0.406 0.000 1.179 176 A HN -0.171 nan 8.150 nan 0.000 0.504 177 D N 1.462 122.052 120.400 0.317 0.000 2.183 177 D HA 0.071 4.716 4.640 0.008 0.000 0.205 177 D C 0.456 176.957 176.300 0.336 0.000 0.962 177 D CA 1.472 55.616 54.000 0.240 0.000 0.849 177 D CB 0.250 41.125 40.800 0.125 0.000 0.978 177 D HN 0.595 nan 8.370 nan 0.000 0.488 178 I N 0.659 121.436 120.570 0.345 0.000 2.646 178 I HA 0.343 4.517 4.170 0.008 0.000 0.299 178 I C -0.645 175.643 176.117 0.286 0.000 1.036 178 I CA -0.854 60.642 61.300 0.327 0.000 1.074 178 I CB 2.955 41.092 38.000 0.228 0.000 1.258 178 I HN -0.387 nan 8.210 nan 0.000 0.430 179 V N 5.852 125.920 119.914 0.256 0.000 2.808 179 V HA 0.425 4.549 4.120 0.008 0.000 0.308 179 V C -0.819 175.315 176.094 0.067 0.000 1.099 179 V CA -0.446 61.891 62.300 0.062 0.000 0.920 179 V CB 2.496 34.234 31.823 -0.143 0.000 1.014 179 V HN 0.421 nan 8.190 nan 0.000 0.425 180 I N 4.237 124.793 120.570 -0.023 0.000 2.354 180 I HA 0.804 4.979 4.170 0.008 0.000 0.286 180 I C 0.321 176.372 176.117 -0.110 0.000 1.007 180 I CA 0.100 61.382 61.300 -0.029 0.000 1.167 180 I CB 1.534 39.486 38.000 -0.080 0.000 1.320 180 I HN 0.728 nan 8.210 nan 0.000 0.458 181 A N 7.283 130.031 122.820 -0.120 0.000 2.479 181 A HA 1.003 5.328 4.320 0.008 0.000 0.296 181 A C -2.888 174.618 177.584 -0.130 0.000 1.121 181 A CA -1.827 50.106 52.037 -0.174 0.000 0.743 181 A CB 1.456 20.320 19.000 -0.226 0.000 1.323 181 A HN 0.374 nan 8.150 nan 0.000 0.415 182 P HA 0.264 nan 4.420 nan 0.000 0.274 182 P C -0.063 177.269 177.300 0.053 0.000 1.237 182 P CA 0.006 63.107 63.100 0.001 0.000 0.793 182 P CB 0.241 31.983 31.700 0.070 0.000 0.977 183 Y N 1.371 121.732 120.300 0.101 0.000 2.097 183 Y HA -0.248 4.307 4.550 0.008 0.000 0.282 183 Y C 2.652 178.637 175.900 0.143 0.000 1.152 183 Y CA 2.155 60.329 58.100 0.123 0.000 1.136 183 Y CB -1.427 37.081 38.460 0.080 0.000 0.975 183 Y HN 0.360 nan 8.280 nan 0.000 0.498 184 A N -1.019 121.973 122.820 0.287 0.000 2.139 184 A HA -0.265 4.059 4.320 0.008 0.000 0.221 184 A C 1.906 179.598 177.584 0.180 0.000 1.159 184 A CA 1.732 53.884 52.037 0.191 0.000 0.662 184 A CB -1.115 17.975 19.000 0.149 0.000 0.796 184 A HN 0.666 nan 8.150 nan 0.000 0.463 185 Y N -1.609 118.731 120.300 0.067 0.000 2.201 185 Y HA 0.015 4.570 4.550 0.008 0.000 0.292 185 Y C 1.914 177.831 175.900 0.028 0.000 1.119 185 Y CA 1.620 59.731 58.100 0.019 0.000 1.127 185 Y CB -0.517 37.918 38.460 -0.042 0.000 1.019 185 Y HN 0.290 nan 8.280 nan 0.000 0.514 186 F N 0.267 120.175 119.950 -0.069 0.000 2.163 186 F HA -0.057 4.475 4.527 0.008 0.000 0.297 186 F C 1.671 177.442 175.800 -0.047 0.000 1.094 186 F CA 1.343 59.260 58.000 -0.138 0.000 1.290 186 F CB -0.377 38.609 39.000 -0.022 0.000 1.017 186 F HN -0.013 nan 8.300 nan 0.000 0.483 187 L N 0.416 121.693 121.223 0.090 0.000 2.622 187 L HA -0.090 4.255 4.340 0.008 0.000 0.233 187 L C 0.386 177.226 176.870 -0.051 0.000 1.156 187 L CA 0.140 55.004 54.840 0.040 0.000 0.866 187 L CB -0.965 41.195 42.059 0.168 0.000 0.980 187 L HN 0.085 nan 8.230 nan 0.000 0.448 188 N N 1.097 119.728 118.700 -0.115 0.000 2.439 188 N HA -0.019 4.725 4.740 0.008 0.000 0.243 188 N C 1.173 176.567 175.510 -0.194 0.000 1.088 188 N CA 0.118 53.093 53.050 -0.125 0.000 0.940 188 N CB 0.715 39.129 38.487 -0.123 0.000 1.180 188 N HN 0.037 nan 8.380 nan 0.000 0.505 189 R N 2.439 122.854 120.500 -0.141 0.000 2.097 189 R HA -0.098 4.246 4.340 0.008 0.000 0.236 189 R C 1.183 177.403 176.300 -0.132 0.000 1.135 189 R CA 1.621 57.632 56.100 -0.148 0.000 0.934 189 R CB -0.595 29.654 30.300 -0.086 0.000 0.846 189 R HN 0.545 nan 8.270 nan 0.000 0.431 190 S N 0.096 115.741 115.700 -0.092 0.000 2.382 190 S HA -0.098 4.376 4.470 0.008 0.000 0.228 190 S C 2.034 176.596 174.600 -0.064 0.000 1.027 190 S CA 1.271 59.434 58.200 -0.062 0.000 0.991 190 S CB -0.174 63.001 63.200 -0.042 0.000 0.823 190 S HN 0.140 nan 8.310 nan 0.000 0.469 191 V N 1.906 121.749 119.914 -0.119 0.000 2.307 191 V HA -0.177 3.948 4.120 0.008 0.000 0.245 191 V C 2.661 178.657 176.094 -0.164 0.000 1.045 191 V CA 1.633 63.837 62.300 -0.160 0.000 1.024 191 V CB -1.209 30.423 31.823 -0.317 0.000 0.651 191 V HN 0.536 nan 8.190 nan 0.000 0.449 192 A N -0.397 122.261 122.820 -0.269 0.000 1.948 192 A HA -0.290 4.034 4.320 0.008 0.000 0.220 192 A C 2.102 179.728 177.584 0.070 0.000 1.177 192 A CA 2.231 54.145 52.037 -0.205 0.000 0.636 192 A CB -0.514 18.093 19.000 -0.656 0.000 0.815 192 A HN 0.546 nan 8.150 nan 0.000 0.449 193 E N -0.311 119.896 120.200 0.013 0.000 2.072 193 E HA -0.115 4.239 4.350 0.008 0.000 0.191 193 E C 2.053 178.721 176.600 0.113 0.000 0.985 193 E CA 1.379 57.815 56.400 0.059 0.000 0.801 193 E CB -0.151 29.559 29.700 0.016 0.000 0.750 193 E HN 0.454 nan 8.360 nan 0.000 0.452 194 K N -0.214 120.269 120.400 0.138 0.000 2.026 194 K HA -0.080 4.245 4.320 0.008 0.000 0.208 194 K C 1.843 178.648 176.600 0.342 0.000 1.048 194 K CA 0.923 57.337 56.287 0.211 0.000 0.929 194 K CB -0.670 31.978 32.500 0.247 0.000 0.713 194 K HN 0.138 nan 8.250 nan 0.000 0.439 195 F N 0.960 121.041 119.950 0.219 0.000 2.120 195 F HA -0.191 4.340 4.527 0.008 0.000 0.300 195 F C 1.461 177.461 175.800 0.333 0.000 1.095 195 F CA 1.576 59.745 58.000 0.282 0.000 1.249 195 F CB -0.243 38.913 39.000 0.260 0.000 0.995 195 F HN -0.060 nan 8.300 nan 0.000 0.480 196 L N -0.822 120.482 121.223 0.135 0.000 2.179 196 L HA -0.109 4.236 4.340 0.008 0.000 0.208 196 L C 2.440 179.363 176.870 0.089 0.000 1.096 196 L CA 0.982 55.877 54.840 0.091 0.000 0.779 196 L CB -0.783 41.413 42.059 0.229 0.000 0.922 196 L HN 0.024 nan 8.230 nan 0.000 0.443 197 S N -1.176 114.568 115.700 0.073 0.000 2.419 197 S HA -0.188 4.286 4.470 0.008 0.000 0.233 197 S C 1.749 176.315 174.600 -0.056 0.000 1.016 197 S CA 1.184 59.379 58.200 -0.009 0.000 0.974 197 S CB -0.297 62.865 63.200 -0.063 0.000 0.786 197 S HN 0.520 nan 8.310 nan 0.000 0.492 198 H N -1.531 117.581 119.070 0.070 0.000 2.415 198 H HA 0.047 4.607 4.556 0.008 0.000 0.297 198 H C 1.633 177.024 175.328 0.104 0.000 1.048 198 H CA 0.941 57.032 56.048 0.071 0.000 1.365 198 H CB -0.006 29.792 29.762 0.061 0.000 1.421 198 H HN 0.328 nan 8.280 nan 0.000 0.533 199 W N 0.917 122.179 121.300 -0.064 0.000 2.425 199 W HA -0.014 4.651 4.660 0.008 0.000 0.277 199 W C 1.752 178.235 176.519 -0.060 0.000 1.231 199 W CA 1.827 59.096 57.345 -0.127 0.000 1.248 199 W CB -0.411 28.855 29.460 -0.323 0.000 1.117 199 W HN 0.429 nan 8.180 nan 0.000 0.568 200 G N -0.207 108.670 108.800 0.129 0.000 2.336 200 G HA2 -0.321 3.643 3.960 0.008 0.000 0.233 200 G HA3 -0.321 3.643 3.960 0.008 0.000 0.233 200 G C 0.382 175.255 174.900 -0.044 0.000 1.053 200 G CA 0.255 45.369 45.100 0.024 0.000 0.625 200 G HN 0.299 nan 8.290 nan 0.000 0.511 201 V N 1.457 121.290 119.914 -0.135 0.000 2.963 201 V HA 0.597 4.722 4.120 0.008 0.000 0.306 201 V C 0.738 176.803 176.094 -0.050 0.000 1.077 201 V CA 1.062 63.247 62.300 -0.192 0.000 1.124 201 V CB 1.572 33.106 31.823 -0.481 0.000 0.987 201 V HN 0.606 nan 8.190 nan 0.000 0.487 202 S N 3.991 119.672 115.700 -0.032 0.000 2.726 202 S HA 0.512 4.987 4.470 0.008 0.000 0.308 202 S C 0.885 175.520 174.600 0.058 0.000 1.115 202 S CA -0.783 57.437 58.200 0.033 0.000 0.965 202 S CB 1.715 64.929 63.200 0.023 0.000 1.145 202 S HN 0.766 nan 8.310 nan 0.000 0.532 203 R N 1.140 121.704 120.500 0.106 0.000 2.152 203 R HA -0.118 4.226 4.340 0.008 0.000 0.232 203 R C 1.726 178.075 176.300 0.082 0.000 1.117 203 R CA 1.318 57.502 56.100 0.141 0.000 0.981 203 R CB -0.485 29.914 30.300 0.164 0.000 0.870 203 R HN 0.547 nan 8.270 nan 0.000 0.451 204 N N 1.784 120.514 118.700 0.051 0.000 2.069 204 N HA -0.200 4.545 4.740 0.008 0.000 0.191 204 N C 1.159 176.680 175.510 0.018 0.000 1.031 204 N CA 1.556 54.626 53.050 0.035 0.000 0.852 204 N CB -0.019 38.485 38.487 0.028 0.000 1.018 204 N HN 0.252 nan 8.380 nan 0.000 0.423 205 Q N -0.546 119.250 119.800 -0.007 0.000 2.329 205 Q HA 0.211 4.555 4.340 0.008 0.000 0.208 205 Q C -0.160 175.787 176.000 -0.088 0.000 0.934 205 Q CA -0.003 55.774 55.803 -0.044 0.000 0.951 205 Q CB 0.454 29.144 28.738 -0.079 0.000 1.017 205 Q HN 0.473 nan 8.270 nan 0.000 0.490 206 I N 0.156 120.695 120.570 -0.052 0.000 2.707 206 I HA 0.344 4.518 4.170 0.008 0.000 0.309 206 I C -0.524 175.560 176.117 -0.054 0.000 1.001 206 I CA -1.075 60.183 61.300 -0.070 0.000 1.129 206 I CB 1.988 39.994 38.000 0.010 0.000 1.308 206 I HN -0.221 nan 8.210 nan 0.000 0.466 207 V N 5.722 125.598 119.914 -0.063 0.000 2.709 207 V HA 0.478 4.602 4.120 0.008 0.000 0.308 207 V C -0.448 175.595 176.094 -0.084 0.000 1.062 207 V CA -0.531 61.725 62.300 -0.073 0.000 0.901 207 V CB 2.143 33.915 31.823 -0.084 0.000 1.003 207 V HN 0.398 nan 8.190 nan 0.000 0.425 208 I N 5.119 125.628 120.570 -0.101 0.000 2.418 208 I HA 0.499 4.674 4.170 0.008 0.000 0.287 208 I C -0.676 175.315 176.117 -0.210 0.000 1.008 208 I CA -0.417 60.787 61.300 -0.160 0.000 1.104 208 I CB 1.850 39.767 38.000 -0.138 0.000 1.264 208 I HN 0.394 nan 8.210 nan 0.000 0.438 209 I N 6.928 127.281 120.570 -0.362 0.000 2.312 209 I HA 0.283 4.458 4.170 0.008 0.000 0.290 209 I C -0.201 175.727 176.117 -0.315 0.000 1.008 209 I CA -0.582 60.455 61.300 -0.439 0.000 1.226 209 I CB 1.205 38.655 38.000 -0.916 0.000 1.371 209 I HN 0.356 nan 8.210 nan 0.000 0.468 210 L N 5.923 127.046 121.223 -0.167 0.000 2.312 210 L HA 0.227 4.572 4.340 0.008 0.000 0.287 210 L C 0.141 177.080 176.870 0.115 0.000 1.091 210 L CA -0.383 54.452 54.840 -0.009 0.000 0.846 210 L CB 0.137 42.145 42.059 -0.085 0.000 1.219 210 L HN 0.570 nan 8.230 nan 0.000 0.439 211 D N 3.507 124.017 120.400 0.183 0.000 2.414 211 D HA -0.046 4.598 4.640 0.008 0.000 0.242 211 D C 0.446 176.879 176.300 0.222 0.000 1.129 211 D CA 0.074 54.215 54.000 0.234 0.000 0.885 211 D CB 0.698 41.636 40.800 0.230 0.000 1.198 211 D HN 0.410 nan 8.370 nan 0.000 0.437 212 E N 1.799 122.110 120.200 0.184 0.000 2.165 212 E HA -0.286 4.069 4.350 0.008 0.000 0.203 212 E C 0.621 177.219 176.600 -0.003 0.000 1.335 212 E CA 0.677 57.167 56.400 0.151 0.000 0.708 212 E CB -1.610 28.138 29.700 0.080 0.000 1.105 212 E HN 0.548 nan 8.360 nan 0.000 0.346 213 A N 0.058 122.950 122.820 0.119 0.000 2.225 213 A HA -0.196 4.129 4.320 0.008 0.000 0.215 213 A C 1.686 179.351 177.584 0.134 0.000 1.164 213 A CA 1.650 53.757 52.037 0.116 0.000 0.710 213 A CB -0.854 18.255 19.000 0.180 0.000 0.780 213 A HN 0.706 nan 8.150 nan 0.000 0.473 214 H N -1.020 118.101 119.070 0.084 0.000 2.489 214 H HA -0.034 4.526 4.556 0.008 0.000 0.293 214 H C 1.283 176.668 175.328 0.095 0.000 1.066 214 H CA 1.352 57.454 56.048 0.090 0.000 1.305 214 H CB -0.329 29.437 29.762 0.007 0.000 1.386 214 H HN 0.378 nan 8.280 nan 0.000 0.551 215 N N 0.412 118.881 118.700 -0.386 0.000 2.515 215 N HA -0.043 4.701 4.740 0.008 0.000 0.185 215 N C 1.549 176.948 175.510 -0.185 0.000 1.109 215 N CA 0.357 53.246 53.050 -0.268 0.000 0.903 215 N CB 0.016 38.291 38.487 -0.352 0.000 0.969 215 N HN 0.327 nan 8.380 nan 0.000 0.450 216 L N 1.883 123.046 121.223 -0.100 0.000 2.013 216 L HA -0.092 4.253 4.340 0.008 0.000 0.212 216 L C -0.802 176.005 176.870 -0.106 0.000 1.073 216 L CA 2.044 56.800 54.840 -0.141 0.000 0.753 216 L CB -1.176 40.885 42.059 0.003 0.000 0.890 216 L HN 0.063 nan 8.230 nan 0.000 0.432 217 P HA -0.157 nan 4.420 nan 0.000 0.215 217 P C 1.029 178.310 177.300 -0.031 0.000 1.153 217 P CA 1.675 64.759 63.100 -0.027 0.000 0.853 217 P CB 0.023 31.741 31.700 0.030 0.000 0.788 218 D N -1.370 119.005 120.400 -0.042 0.000 2.183 218 D HA -0.059 4.585 4.640 0.008 0.000 0.203 218 D C 1.789 178.045 176.300 -0.072 0.000 0.969 218 D CA 0.624 54.596 54.000 -0.046 0.000 0.842 218 D CB -0.525 40.248 40.800 -0.045 0.000 0.957 218 D HN 0.047 nan 8.370 nan 0.000 0.484 219 I N 0.031 120.523 120.570 -0.129 0.000 2.226 219 I HA -0.139 4.035 4.170 0.008 0.000 0.245 219 I C 2.445 178.515 176.117 -0.077 0.000 1.100 219 I CA 1.219 62.430 61.300 -0.147 0.000 1.374 219 I CB -0.453 37.340 38.000 -0.344 0.000 1.057 219 I HN 0.078 nan 8.210 nan 0.000 0.413 220 G N 0.788 109.548 108.800 -0.068 0.000 2.453 220 G HA2 -0.224 3.741 3.960 0.008 0.000 0.215 220 G HA3 -0.224 3.741 3.960 0.008 0.000 0.215 220 G C 1.780 176.662 174.900 -0.030 0.000 1.201 220 G CA 0.483 45.569 45.100 -0.023 0.000 0.784 220 G HN 0.266 nan 8.290 nan 0.000 0.545 221 R N 0.205 120.674 120.500 -0.053 0.000 2.105 221 R HA -0.057 4.288 4.340 0.008 0.000 0.239 221 R C 2.871 179.137 176.300 -0.057 0.000 1.135 221 R CA 1.337 57.385 56.100 -0.086 0.000 0.967 221 R CB -0.547 29.707 30.300 -0.076 0.000 0.861 221 R HN 0.406 nan 8.270 nan 0.000 0.442 222 S N 1.003 116.686 115.700 -0.027 0.000 2.338 222 S HA -0.078 4.397 4.470 0.008 0.000 0.218 222 S C 1.990 176.610 174.600 0.033 0.000 1.032 222 S CA 0.941 59.141 58.200 -0.001 0.000 0.999 222 S CB -0.111 63.086 63.200 -0.005 0.000 0.905 222 S HN 0.191 nan 8.310 nan 0.000 0.439 223 I N 1.228 121.821 120.570 0.038 0.000 2.335 223 I HA -0.129 4.045 4.170 0.008 0.000 0.251 223 I C 2.494 178.676 176.117 0.107 0.000 1.129 223 I CA 1.204 62.546 61.300 0.071 0.000 1.402 223 I CB -0.587 37.454 38.000 0.068 0.000 1.069 223 I HN 0.464 nan 8.210 nan 0.000 0.424 224 G N -0.387 108.467 108.800 0.090 0.000 2.448 224 G HA2 -0.074 3.890 3.960 0.008 0.000 0.218 224 G HA3 -0.074 3.890 3.960 0.008 0.000 0.218 224 G C 0.848 175.919 174.900 0.285 0.000 1.135 224 G CA 0.047 45.242 45.100 0.159 0.000 0.784 224 G HN 0.309 nan 8.290 nan 0.000 0.543 225 S N -0.134 115.664 115.700 0.165 0.000 2.617 225 S HA 0.630 5.105 4.470 0.008 0.000 0.269 225 S C -0.533 174.271 174.600 0.341 0.000 1.292 225 S CA -0.340 57.972 58.200 0.188 0.000 1.010 225 S CB 0.792 64.014 63.200 0.036 0.000 0.944 225 S HN 0.460 nan 8.310 nan 0.000 0.536 226 F N -0.905 119.162 119.950 0.195 0.000 2.686 226 F HA 0.850 5.381 4.527 0.008 0.000 0.311 226 F C -0.852 175.053 175.800 0.176 0.000 1.128 226 F CA -1.515 56.574 58.000 0.148 0.000 0.946 226 F CB 1.274 40.357 39.000 0.138 0.000 1.336 226 F HN 0.585 nan 8.300 nan 0.000 0.457 227 R N 0.682 121.353 120.500 0.284 0.000 2.774 227 R HA 0.835 5.179 4.340 0.008 0.000 0.272 227 R C -2.275 174.140 176.300 0.192 0.000 1.000 227 R CA -1.047 55.158 56.100 0.176 0.000 0.906 227 R CB 2.076 32.392 30.300 0.027 0.000 1.227 227 R HN 0.576 nan 8.270 nan 0.000 0.468 228 I N 1.603 122.237 120.570 0.107 0.000 2.382 228 I HA 0.331 4.506 4.170 0.008 0.000 0.285 228 I C -0.254 175.896 176.117 0.055 0.000 1.007 228 I CA -0.178 61.146 61.300 0.040 0.000 1.142 228 I CB 1.850 39.781 38.000 -0.114 0.000 1.289 228 I HN 0.808 nan 8.210 nan 0.000 0.453 229 S N 4.458 120.205 115.700 0.078 0.000 2.593 229 S HA 0.556 5.031 4.470 0.008 0.000 0.297 229 S C 0.992 175.632 174.600 0.065 0.000 1.112 229 S CA -0.755 57.510 58.200 0.108 0.000 1.043 229 S CB 1.856 65.099 63.200 0.072 0.000 1.054 229 S HN 0.275 nan 8.310 nan 0.000 0.516 230 V N 1.363 121.314 119.914 0.062 0.000 2.332 230 V HA -0.123 4.002 4.120 0.008 0.000 0.248 230 V C 2.767 178.877 176.094 0.026 0.000 1.055 230 V CA 2.450 64.772 62.300 0.036 0.000 1.038 230 V CB -1.103 30.737 31.823 0.028 0.000 0.651 230 V HN 1.009 nan 8.190 nan 0.000 0.450 231 E N -0.139 120.073 120.200 0.021 0.000 2.268 231 E HA -0.147 4.208 4.350 0.008 0.000 0.195 231 E C 2.342 178.939 176.600 -0.003 0.000 0.995 231 E CA 1.254 57.652 56.400 -0.003 0.000 0.836 231 E CB -0.325 29.362 29.700 -0.021 0.000 0.763 231 E HN 0.462 nan 8.360 nan 0.000 0.491 232 S N -0.930 114.790 115.700 0.032 0.000 2.387 232 S HA 0.021 4.496 4.470 0.008 0.000 0.226 232 S C 1.684 176.320 174.600 0.059 0.000 1.026 232 S CA 0.632 58.873 58.200 0.068 0.000 0.972 232 S CB -0.098 63.172 63.200 0.118 0.000 0.814 232 S HN 0.280 nan 8.310 nan 0.000 0.477 233 L N 1.480 122.733 121.223 0.050 0.000 2.027 233 L HA -0.090 4.254 4.340 0.008 0.000 0.206 233 L C 2.313 179.198 176.870 0.026 0.000 1.074 233 L CA 0.960 55.831 54.840 0.052 0.000 0.745 233 L CB -0.794 41.295 42.059 0.050 0.000 0.898 233 L HN 0.222 nan 8.230 nan 0.000 0.433 234 N N 0.456 119.159 118.700 0.005 0.000 2.091 234 N HA -0.224 4.521 4.740 0.008 0.000 0.193 234 N C 1.919 177.400 175.510 -0.048 0.000 1.021 234 N CA 1.474 54.516 53.050 -0.013 0.000 0.862 234 N CB -0.318 38.158 38.487 -0.019 0.000 1.018 234 N HN 0.290 nan 8.380 nan 0.000 0.429 235 R N 0.354 120.784 120.500 -0.117 0.000 2.073 235 R HA 0.013 4.358 4.340 0.008 0.000 0.234 235 R C 2.138 178.309 176.300 -0.216 0.000 1.134 235 R CA 1.365 57.278 56.100 -0.312 0.000 0.952 235 R CB -0.322 29.564 30.300 -0.689 0.000 0.850 235 R HN 0.226 nan 8.270 nan 0.000 0.433 236 A N 0.830 123.633 122.820 -0.028 0.000 2.015 236 A HA -0.172 4.153 4.320 0.008 0.000 0.219 236 A C 1.696 179.357 177.584 0.128 0.000 1.163 236 A CA 1.429 53.556 52.037 0.148 0.000 0.646 236 A CB -0.278 18.835 19.000 0.187 0.000 0.806 236 A HN 0.189 nan 8.150 nan 0.000 0.448 237 D N -0.180 120.259 120.400 0.066 0.000 2.144 237 D HA -0.097 4.547 4.640 0.008 0.000 0.200 237 D C 2.199 178.543 176.300 0.072 0.000 0.978 237 D CA 0.931 54.966 54.000 0.059 0.000 0.833 237 D CB -0.122 40.697 40.800 0.032 0.000 0.961 237 D HN 0.455 nan 8.370 nan 0.000 0.470 238 R N 0.231 120.768 120.500 0.061 0.000 2.115 238 R HA -0.042 4.303 4.340 0.008 0.000 0.226 238 R C 2.216 178.611 176.300 0.157 0.000 1.100 238 R CA 0.795 56.941 56.100 0.078 0.000 0.980 238 R CB -0.124 30.201 30.300 0.041 0.000 0.875 238 R HN 0.308 nan 8.270 nan 0.000 0.445 239 E N 1.142 121.473 120.200 0.217 0.000 2.106 239 E HA -0.157 4.197 4.350 0.008 0.000 0.192 239 E C 1.940 178.808 176.600 0.448 0.000 0.984 239 E CA 1.049 57.669 56.400 0.368 0.000 0.806 239 E CB 0.007 29.947 29.700 0.399 0.000 0.750 239 E HN 0.318 nan 8.360 nan 0.000 0.458 240 A N 0.908 123.928 122.820 0.333 0.000 1.883 240 A HA -0.267 4.058 4.320 0.008 0.000 0.217 240 A C 2.103 179.831 177.584 0.241 0.000 1.186 240 A CA 1.825 54.021 52.037 0.266 0.000 0.624 240 A CB -0.618 18.415 19.000 0.054 0.000 0.822 240 A HN 0.361 nan 8.150 nan 0.000 0.444 241 Q N -0.784 119.113 119.800 0.163 0.000 2.119 241 Q HA -0.035 4.309 4.340 0.008 0.000 0.201 241 Q C 2.378 178.452 176.000 0.123 0.000 0.972 241 Q CA 1.162 57.031 55.803 0.110 0.000 0.847 241 Q CB -0.370 28.405 28.738 0.062 0.000 0.903 241 Q HN 0.691 nan 8.270 nan 0.000 0.433 242 A N 0.222 123.135 122.820 0.156 0.000 1.933 242 A HA -0.146 4.179 4.320 0.008 0.000 0.218 242 A C 0.674 178.183 177.584 -0.124 0.000 1.175 242 A CA 1.096 53.140 52.037 0.012 0.000 0.628 242 A CB -0.287 18.746 19.000 0.055 0.000 0.814 242 A HN 0.392 nan 8.150 nan 0.000 0.444 243 Y N -0.847 119.603 120.300 0.250 0.000 2.764 243 Y HA 0.446 5.000 4.550 0.008 0.000 0.350 243 Y C 1.483 177.664 175.900 0.469 0.000 0.982 243 Y CA 0.106 58.402 58.100 0.325 0.000 1.431 243 Y CB 0.351 38.962 38.460 0.252 0.000 1.326 243 Y HN 0.421 nan 8.280 nan 0.000 0.550 244 G N -0.000 109.008 108.800 0.348 0.000 2.284 244 G HA2 -0.359 3.606 3.960 0.008 0.000 0.230 244 G HA3 -0.359 3.606 3.960 0.008 0.000 0.230 244 G C 0.301 175.321 174.900 0.201 0.000 1.021 244 G CA 0.002 45.264 45.100 0.269 0.000 0.619 244 G HN 0.460 nan 8.290 nan 0.000 0.510 245 D N 1.159 121.676 120.400 0.196 0.000 2.740 245 D HA -0.115 4.530 4.640 0.008 0.000 0.231 245 D C -0.817 175.560 176.300 0.128 0.000 1.194 245 D CA 1.300 55.327 54.000 0.044 0.000 0.673 245 D CB -0.235 40.579 40.800 0.023 0.000 0.995 245 D HN 0.596 nan 8.370 nan 0.000 0.411 246 P HA 0.188 nan 4.420 nan 0.000 0.289 246 P C -0.571 176.710 177.300 -0.032 0.000 1.299 246 P CA -0.233 62.925 63.100 0.096 0.000 0.766 246 P CB 0.478 32.226 31.700 0.079 0.000 1.226 247 E N -0.208 119.865 120.200 -0.212 0.000 2.089 247 E HA 0.229 4.583 4.350 0.008 0.000 0.284 247 E C 0.827 177.277 176.600 -0.250 0.000 1.023 247 E CA -0.233 55.882 56.400 -0.475 0.000 0.819 247 E CB 0.191 29.608 29.700 -0.471 0.000 1.076 247 E HN 0.242 nan 8.360 nan 0.000 0.396 248 L N 0.843 121.933 121.223 -0.222 0.000 2.007 248 L HA -0.068 4.277 4.340 0.008 0.000 0.205 248 L C 1.563 178.228 176.870 -0.342 0.000 1.073 248 L CA 0.919 55.659 54.840 -0.167 0.000 0.744 248 L CB -0.254 41.755 42.059 -0.082 0.000 0.898 248 L HN 0.444 nan 8.230 nan 0.000 0.435 249 S N -1.530 113.994 115.700 -0.293 0.000 2.566 249 S HA 0.009 4.484 4.470 0.008 0.000 0.277 249 S C 0.810 175.268 174.600 -0.238 0.000 1.150 249 S CA -0.196 57.831 58.200 -0.288 0.000 1.032 249 S CB 1.241 64.322 63.200 -0.199 0.000 1.157 249 S HN 0.192 nan 8.310 nan 0.000 0.507 250 Q N 0.713 120.406 119.800 -0.178 0.000 2.016 250 Q HA -0.012 4.332 4.340 0.008 0.000 0.200 250 Q C 1.122 177.029 176.000 -0.156 0.000 0.978 250 Q CA 2.150 57.867 55.803 -0.144 0.000 0.833 250 Q CB -0.197 28.485 28.738 -0.094 0.000 0.895 250 Q HN 0.638 nan 8.270 nan 0.000 0.427 251 K N -1.048 119.280 120.400 -0.120 0.000 2.387 251 K HA 0.314 4.639 4.320 0.008 0.000 0.203 251 K C -0.617 175.957 176.600 -0.044 0.000 1.030 251 K CA -0.035 56.211 56.287 -0.069 0.000 1.099 251 K CB 0.722 33.208 32.500 -0.025 0.000 0.863 251 K HN 0.030 nan 8.250 nan 0.000 0.529 252 I N 2.824 123.329 120.570 -0.109 0.000 2.382 252 I HA 0.267 4.441 4.170 0.008 0.000 0.285 252 I C -0.009 176.037 176.117 -0.118 0.000 1.007 252 I CA -0.931 60.337 61.300 -0.053 0.000 1.142 252 I CB 0.315 38.286 38.000 -0.049 0.000 1.289 252 I HN 0.225 nan 8.210 nan 0.000 0.453 253 H N 3.955 122.989 119.070 -0.060 0.000 2.544 253 H HA 0.278 4.838 4.556 0.008 0.000 0.365 253 H C 1.163 176.430 175.328 -0.101 0.000 1.268 253 H CA -0.577 55.422 56.048 -0.082 0.000 1.400 253 H CB 2.136 31.855 29.762 -0.072 0.000 1.538 253 H HN 0.248 nan 8.280 nan 0.000 0.597 254 V N 1.097 120.983 119.914 -0.046 0.000 2.252 254 V HA -0.329 3.795 4.120 0.008 0.000 0.249 254 V C 2.578 178.638 176.094 -0.056 0.000 1.056 254 V CA 2.510 64.716 62.300 -0.157 0.000 1.022 254 V CB -0.889 30.627 31.823 -0.512 0.000 0.641 254 V HN 0.852 nan 8.190 nan 0.000 0.445 255 S N -0.233 115.449 115.700 -0.030 0.000 2.383 255 S HA -0.280 4.195 4.470 0.008 0.000 0.229 255 S C 1.664 176.274 174.600 0.016 0.000 1.030 255 S CA 1.797 59.995 58.200 -0.005 0.000 1.002 255 S CB -0.621 62.567 63.200 -0.019 0.000 0.829 255 S HN 0.648 nan 8.310 nan 0.000 0.467 256 D N 1.454 121.877 120.400 0.037 0.000 2.117 256 D HA 0.003 4.648 4.640 0.008 0.000 0.198 256 D C 2.026 178.347 176.300 0.034 0.000 0.982 256 D CA 0.886 54.910 54.000 0.039 0.000 0.828 256 D CB -0.400 40.438 40.800 0.063 0.000 0.967 256 D HN 0.332 nan 8.370 nan 0.000 0.464 257 L N 0.934 122.177 121.223 0.033 0.000 2.046 257 L HA -0.149 4.195 4.340 0.008 0.000 0.208 257 L C 2.442 179.349 176.870 0.060 0.000 1.077 257 L CA 0.953 55.820 54.840 0.044 0.000 0.747 257 L CB -0.200 41.887 42.059 0.046 0.000 0.896 257 L HN -0.000 nan 8.230 nan 0.000 0.432 258 I N -0.100 120.502 120.570 0.053 0.000 2.208 258 I HA -0.313 3.861 4.170 0.008 0.000 0.245 258 I C 2.480 178.633 176.117 0.060 0.000 1.097 258 I CA 1.393 62.732 61.300 0.064 0.000 1.363 258 I CB -0.289 37.743 38.000 0.053 0.000 1.051 258 I HN 0.335 nan 8.210 nan 0.000 0.413 259 E N 1.380 121.606 120.200 0.044 0.000 2.110 259 E HA -0.216 4.138 4.350 0.008 0.000 0.193 259 E C 2.152 178.779 176.600 0.045 0.000 0.988 259 E CA 1.560 57.983 56.400 0.038 0.000 0.804 259 E CB -0.210 29.505 29.700 0.025 0.000 0.745 259 E HN 0.370 nan 8.360 nan 0.000 0.458 260 M N -0.404 119.224 119.600 0.046 0.000 2.117 260 M HA -0.095 4.389 4.480 0.008 0.000 0.262 260 M C 2.131 178.473 176.300 0.070 0.000 1.065 260 M CA 1.437 56.763 55.300 0.044 0.000 1.114 260 M CB -0.250 32.369 32.600 0.032 0.000 1.361 260 M HN 0.151 nan 8.290 nan 0.000 0.408 261 I N -0.828 119.810 120.570 0.115 0.000 2.353 261 I HA -0.218 3.957 4.170 0.008 0.000 0.248 261 I C 2.616 178.844 176.117 0.185 0.000 1.119 261 I CA 0.977 62.405 61.300 0.213 0.000 1.417 261 I CB -0.463 37.684 38.000 0.244 0.000 1.078 261 I HN 0.278 nan 8.210 nan 0.000 0.421 262 R N 1.294 121.859 120.500 0.108 0.000 2.090 262 R HA -0.134 4.210 4.340 0.008 0.000 0.228 262 R C 2.424 178.762 176.300 0.063 0.000 1.110 262 R CA 1.806 57.951 56.100 0.074 0.000 0.973 262 R CB -0.068 30.262 30.300 0.051 0.000 0.869 262 R HN 0.414 nan 8.270 nan 0.000 0.440 263 S N 0.016 115.752 115.700 0.061 0.000 2.436 263 S HA 0.040 4.515 4.470 0.008 0.000 0.228 263 S C 2.143 176.779 174.600 0.061 0.000 1.014 263 S CA 0.543 58.773 58.200 0.049 0.000 0.950 263 S CB -0.008 63.216 63.200 0.041 0.000 0.784 263 S HN 0.425 nan 8.310 nan 0.000 0.504 264 A N 2.240 125.107 122.820 0.078 0.000 1.883 264 A HA 0.009 4.334 4.320 0.008 0.000 0.217 264 A C 2.205 179.818 177.584 0.049 0.000 1.186 264 A CA 1.669 53.754 52.037 0.080 0.000 0.624 264 A CB -0.912 18.096 19.000 0.014 0.000 0.822 264 A HN 0.486 nan 8.150 nan 0.000 0.444 265 L N -0.289 120.992 121.223 0.096 0.000 2.056 265 L HA -0.166 4.179 4.340 0.008 0.000 0.207 265 L C 2.407 179.249 176.870 -0.047 0.000 1.078 265 L CA 2.322 57.169 54.840 0.012 0.000 0.749 265 L CB -0.765 41.301 42.059 0.011 0.000 0.901 265 L HN 0.510 nan 8.230 nan 0.000 0.433 266 Q N -1.367 118.425 119.800 -0.014 0.000 2.123 266 Q HA -0.110 4.234 4.340 0.008 0.000 0.199 266 Q C 2.202 178.187 176.000 -0.024 0.000 0.966 266 Q CA 1.563 57.355 55.803 -0.019 0.000 0.845 266 Q CB -0.028 28.712 28.738 0.003 0.000 0.907 266 Q HN 0.497 nan 8.270 nan 0.000 0.439 267 S N 0.409 116.106 115.700 -0.006 0.000 2.402 267 S HA -0.091 4.384 4.470 0.008 0.000 0.229 267 S C 1.848 176.411 174.600 -0.062 0.000 1.021 267 S CA 0.992 59.211 58.200 0.031 0.000 0.974 267 S CB -0.049 63.241 63.200 0.150 0.000 0.800 267 S HN 0.305 nan 8.310 nan 0.000 0.484 268 M N 0.560 120.003 119.600 -0.261 0.000 2.099 268 M HA -0.071 4.413 4.480 0.008 0.000 0.262 268 M C 2.106 178.283 176.300 -0.204 0.000 1.067 268 M CA 1.217 56.254 55.300 -0.438 0.000 1.124 268 M CB -0.524 31.763 32.600 -0.521 0.000 1.353 268 M HN 0.139 nan 8.290 nan 0.000 0.410 269 V N -0.791 119.035 119.914 -0.147 0.000 2.343 269 V HA -0.235 3.889 4.120 0.008 0.000 0.247 269 V C 2.361 178.413 176.094 -0.070 0.000 1.051 269 V CA 1.878 64.111 62.300 -0.111 0.000 1.036 269 V CB -0.810 30.951 31.823 -0.104 0.000 0.654 269 V HN 0.411 nan 8.190 nan 0.000 0.451 270 S N -0.386 115.286 115.700 -0.046 0.000 2.359 270 S HA -0.257 4.217 4.470 0.008 0.000 0.222 270 S C 2.006 176.602 174.600 -0.007 0.000 1.038 270 S CA 2.083 60.273 58.200 -0.018 0.000 1.051 270 S CB -0.256 62.945 63.200 0.001 0.000 0.944 270 S HN 0.714 nan 8.310 nan 0.000 0.433 271 E N -0.155 120.050 120.200 0.007 0.000 2.112 271 E HA 0.015 4.370 4.350 0.008 0.000 0.190 271 E C 2.352 178.967 176.600 0.024 0.000 0.979 271 E CA 0.486 56.910 56.400 0.040 0.000 0.814 271 E CB 0.070 29.840 29.700 0.116 0.000 0.762 271 E HN 0.196 nan 8.360 nan 0.000 0.460 272 R N 0.160 120.655 120.500 -0.008 0.000 2.173 272 R HA 0.085 4.430 4.340 0.008 0.000 0.208 272 R C 1.141 177.426 176.300 -0.025 0.000 1.035 272 R CA 0.439 56.532 56.100 -0.012 0.000 1.004 272 R CB -0.182 30.089 30.300 -0.048 0.000 0.917 272 R HN 0.246 nan 8.270 nan 0.000 0.462 273 C N -1.926 117.351 119.300 -0.039 0.000 2.563 273 C HA 0.896 5.361 4.460 0.008 0.000 0.314 273 C C 1.123 176.095 174.990 -0.030 0.000 1.199 273 C CA -0.795 58.198 59.018 -0.041 0.000 1.564 273 C CB 1.621 29.322 27.740 -0.066 0.000 2.173 273 C HN 0.342 nan 8.230 nan 0.000 0.485 274 G N 1.278 110.064 108.800 -0.022 0.000 2.583 274 G HA2 0.206 4.170 3.960 0.008 0.000 0.214 274 G HA3 0.206 4.170 3.960 0.008 0.000 0.214 274 G C 0.936 175.828 174.900 -0.014 0.000 2.072 274 G CA -0.297 44.794 45.100 -0.015 0.000 0.745 274 G HN 0.742 nan 8.290 nan 0.000 0.762 275 K N 0.401 120.796 120.400 -0.008 0.000 2.442 275 K HA 0.218 4.542 4.320 0.008 0.000 0.198 275 K C 1.032 177.629 176.600 -0.005 0.000 1.042 275 K CA 0.650 56.935 56.287 -0.003 0.000 0.958 275 K CB 0.146 32.649 32.500 0.005 0.000 0.766 275 K HN 0.421 nan 8.250 nan 0.000 0.474 276 G N 0.069 108.861 108.800 -0.014 0.000 2.485 276 G HA2 -0.035 3.930 3.960 0.008 0.000 0.182 276 G HA3 -0.035 3.930 3.960 0.008 0.000 0.182 276 G C -1.620 173.256 174.900 -0.040 0.000 1.172 276 G CA -0.831 44.257 45.100 -0.019 0.000 0.996 276 G HN -0.047 nan 8.290 nan 0.000 0.496 277 D N -0.352 120.026 120.400 -0.037 0.000 2.390 277 D HA 0.441 5.086 4.640 0.008 0.000 0.236 277 D C -0.087 176.182 176.300 -0.051 0.000 1.189 277 D CA 0.639 54.603 54.000 -0.060 0.000 0.887 277 D CB 1.594 42.376 40.800 -0.030 0.000 1.198 277 D HN 0.281 nan 8.370 nan 0.000 0.444 278 V N 1.295 121.168 119.914 -0.069 0.000 2.932 278 V HA 0.238 4.362 4.120 0.008 0.000 0.307 278 V C -0.139 175.918 176.094 -0.062 0.000 1.147 278 V CA -0.873 61.395 62.300 -0.054 0.000 0.951 278 V CB 2.541 34.332 31.823 -0.053 0.000 1.031 278 V HN 0.411 nan 8.190 nan 0.000 0.426 279 R N 4.044 124.514 120.500 -0.049 0.000 2.340 279 R HA 0.673 5.017 4.340 0.008 0.000 0.300 279 R C -0.436 175.821 176.300 -0.073 0.000 1.069 279 R CA -0.081 55.980 56.100 -0.066 0.000 0.984 279 R CB 0.680 30.954 30.300 -0.044 0.000 1.003 279 R HN 0.752 nan 8.270 nan 0.000 0.459 280 I N -0.160 120.341 120.570 -0.114 0.000 3.445 280 I HA 0.591 4.765 4.170 0.008 0.000 0.303 280 I C -0.773 175.240 176.117 -0.174 0.000 1.129 280 I CA -1.608 59.636 61.300 -0.094 0.000 0.989 280 I CB 1.867 39.835 38.000 -0.053 0.000 1.314 280 I HN 0.442 nan 8.210 nan 0.000 0.488 281 R N 0.507 120.949 120.500 -0.096 0.000 2.474 281 R HA 0.435 4.780 4.340 0.008 0.000 0.295 281 R C -0.216 176.037 176.300 -0.078 0.000 0.980 281 R CA -0.598 55.445 56.100 -0.094 0.000 0.934 281 R CB 1.198 31.517 30.300 0.031 0.000 1.101 281 R HN 0.580 nan 8.270 nan 0.000 0.469 282 F N 1.412 121.344 119.950 -0.030 0.000 2.216 282 F HA -0.220 4.312 4.527 0.008 0.000 0.300 282 F C 2.659 178.527 175.800 0.114 0.000 1.085 282 F CA 1.341 59.273 58.000 -0.114 0.000 1.326 282 F CB -0.100 38.720 39.000 -0.301 0.000 1.027 282 F HN 0.596 nan 8.300 nan 0.000 0.497 283 Q N 0.614 120.579 119.800 0.276 0.000 2.369 283 Q HA -0.204 4.141 4.340 0.008 0.000 0.206 283 Q C 1.691 177.842 176.000 0.251 0.000 0.963 283 Q CA 1.416 57.362 55.803 0.238 0.000 0.894 283 Q CB -0.573 28.259 28.738 0.156 0.000 0.965 283 Q HN 0.525 nan 8.270 nan 0.000 0.475 284 E N 0.639 120.997 120.200 0.263 0.000 2.077 284 E HA -0.188 4.167 4.350 0.008 0.000 0.193 284 E C 1.527 178.348 176.600 0.369 0.000 0.989 284 E CA 1.275 57.846 56.400 0.285 0.000 0.800 284 E CB -0.238 29.608 29.700 0.242 0.000 0.746 284 E HN 0.470 nan 8.360 nan 0.000 0.452 285 F N 0.699 120.807 119.950 0.263 0.000 2.091 285 F HA -0.279 4.253 4.527 0.008 0.000 0.299 285 F C 2.185 178.114 175.800 0.215 0.000 1.103 285 F CA 2.058 60.183 58.000 0.209 0.000 1.228 285 F CB -0.392 38.740 39.000 0.219 0.000 0.984 285 F HN 0.118 nan 8.300 nan 0.000 0.477 286 M N 0.813 120.467 119.600 0.089 0.000 2.117 286 M HA -0.168 4.316 4.480 0.008 0.000 0.262 286 M C 2.029 178.293 176.300 -0.060 0.000 1.065 286 M CA 1.843 57.108 55.300 -0.059 0.000 1.114 286 M CB -0.576 32.103 32.600 0.132 0.000 1.361 286 M HN 0.298 nan 8.290 nan 0.000 0.408 287 E N -1.320 118.904 120.200 0.041 0.000 2.038 287 E HA -0.251 4.103 4.350 0.008 0.000 0.195 287 E C 1.931 178.503 176.600 -0.047 0.000 1.000 287 E CA 1.934 58.340 56.400 0.009 0.000 0.803 287 E CB -0.444 29.284 29.700 0.046 0.000 0.750 287 E HN 0.558 nan 8.360 nan 0.000 0.448 288 Y N 0.011 120.251 120.300 -0.101 0.000 2.207 288 Y HA -0.256 4.299 4.550 0.008 0.000 0.287 288 Y C 2.407 178.194 175.900 -0.188 0.000 1.156 288 Y CA 1.503 59.532 58.100 -0.119 0.000 1.182 288 Y CB -0.154 38.251 38.460 -0.093 0.000 0.979 288 Y HN 0.087 nan 8.280 nan 0.000 0.521 289 M N -0.170 119.320 119.600 -0.183 0.000 2.086 289 M HA -0.188 4.297 4.480 0.008 0.000 0.261 289 M C 2.078 178.303 176.300 -0.125 0.000 1.067 289 M CA 1.764 56.915 55.300 -0.248 0.000 1.116 289 M CB -0.149 32.182 32.600 -0.448 0.000 1.348 289 M HN 0.012 nan 8.290 nan 0.000 0.407 290 R N -0.608 119.831 120.500 -0.102 0.000 2.066 290 R HA -0.015 4.329 4.340 0.008 0.000 0.232 290 R C 2.146 178.406 176.300 -0.067 0.000 1.131 290 R CA 1.801 57.860 56.100 -0.067 0.000 0.955 290 R CB -0.584 29.686 30.300 -0.049 0.000 0.851 290 R HN 0.371 nan 8.270 nan 0.000 0.432 291 I N 0.499 121.015 120.570 -0.089 0.000 2.179 291 I HA -0.299 3.876 4.170 0.008 0.000 0.242 291 I C 2.414 178.485 176.117 -0.076 0.000 1.088 291 I CA 1.453 62.696 61.300 -0.095 0.000 1.357 291 I CB -0.207 37.701 38.000 -0.152 0.000 1.051 291 I HN 0.173 nan 8.210 nan 0.000 0.409 292 M N 0.241 119.798 119.600 -0.071 0.000 2.117 292 M HA -0.187 4.297 4.480 0.008 0.000 0.262 292 M C 1.311 177.593 176.300 -0.030 0.000 1.065 292 M CA 1.699 56.975 55.300 -0.039 0.000 1.114 292 M CB -0.357 32.237 32.600 -0.010 0.000 1.361 292 M HN 0.292 nan 8.290 nan 0.000 0.408 293 N N -0.233 118.447 118.700 -0.034 0.000 2.236 293 N HA 0.037 4.781 4.740 0.008 0.000 0.196 293 N C -0.515 174.980 175.510 -0.026 0.000 1.114 293 N CA 0.180 53.215 53.050 -0.025 0.000 0.859 293 N CB 0.535 39.008 38.487 -0.024 0.000 0.982 293 N HN 0.089 nan 8.380 nan 0.000 0.493 294 K N 1.362 121.743 120.400 -0.031 0.000 3.244 294 K HA -0.170 4.155 4.320 0.008 0.000 0.270 294 K C -0.493 176.093 176.600 -0.024 0.000 1.016 294 K CA 0.707 56.977 56.287 -0.028 0.000 0.754 294 K CB -1.337 31.149 32.500 -0.024 0.000 1.326 294 K HN 0.427 nan 8.250 nan 0.000 0.465 295 R N -1.234 119.251 120.500 -0.025 0.000 2.799 295 R HA 0.499 4.844 4.340 0.008 0.000 0.270 295 R C 0.211 176.501 176.300 -0.017 0.000 1.010 295 R CA -0.873 55.216 56.100 -0.018 0.000 0.916 295 R CB 1.448 31.738 30.300 -0.015 0.000 1.228 295 R HN 0.080 nan 8.270 nan 0.000 0.469 296 S N -0.487 115.209 115.700 -0.008 0.000 2.623 296 S HA 0.156 4.631 4.470 0.008 0.000 0.278 296 S C 1.004 175.608 174.600 0.007 0.000 1.148 296 S CA -0.340 57.859 58.200 -0.002 0.000 1.028 296 S CB 0.781 63.982 63.200 0.002 0.000 1.145 296 S HN 0.553 nan 8.310 nan 0.000 0.523 297 E N 0.233 120.443 120.200 0.017 0.000 2.015 297 E HA -0.144 4.211 4.350 0.008 0.000 0.191 297 E C 2.186 178.808 176.600 0.037 0.000 0.991 297 E CA 0.952 57.371 56.400 0.032 0.000 0.802 297 E CB -0.278 29.445 29.700 0.039 0.000 0.759 297 E HN 0.535 nan 8.360 nan 0.000 0.447 298 R N 1.544 122.063 120.500 0.031 0.000 2.191 298 R HA -0.278 4.067 4.340 0.008 0.000 0.248 298 R C 1.971 178.296 176.300 0.042 0.000 1.127 298 R CA 2.404 58.525 56.100 0.035 0.000 0.943 298 R CB -0.254 30.061 30.300 0.026 0.000 0.891 298 R HN 0.216 nan 8.270 nan 0.000 0.439 299 E N -0.412 119.806 120.200 0.029 0.000 2.051 299 E HA -0.187 4.168 4.350 0.008 0.000 0.192 299 E C 2.213 178.837 176.600 0.040 0.000 0.991 299 E CA 1.699 58.114 56.400 0.025 0.000 0.799 299 E CB -0.198 29.505 29.700 0.006 0.000 0.748 299 E HN 0.460 nan 8.360 nan 0.000 0.449 300 I N 0.851 121.445 120.570 0.039 0.000 2.252 300 I HA -0.230 3.945 4.170 0.008 0.000 0.245 300 I C 2.511 178.682 176.117 0.090 0.000 1.102 300 I CA 0.684 62.017 61.300 0.054 0.000 1.385 300 I CB -0.160 37.861 38.000 0.035 0.000 1.064 300 I HN 0.027 nan 8.210 nan 0.000 0.414 301 R N 0.130 120.682 120.500 0.087 0.000 2.091 301 R HA -0.165 4.179 4.340 0.008 0.000 0.238 301 R C 2.470 178.837 176.300 0.111 0.000 1.136 301 R CA 1.598 57.755 56.100 0.096 0.000 0.959 301 R CB -1.007 29.337 30.300 0.074 0.000 0.856 301 R HN 0.284 nan 8.270 nan 0.000 0.437 302 S N 0.803 116.574 115.700 0.119 0.000 2.355 302 S HA -0.023 4.451 4.470 0.008 0.000 0.222 302 S C 2.116 176.877 174.600 0.269 0.000 1.031 302 S CA 0.766 59.079 58.200 0.189 0.000 0.993 302 S CB -0.133 63.171 63.200 0.173 0.000 0.859 302 S HN 0.199 nan 8.310 nan 0.000 0.453 303 L N 1.064 122.388 121.223 0.168 0.000 2.079 303 L HA -0.109 4.236 4.340 0.008 0.000 0.210 303 L C 2.332 179.317 176.870 0.192 0.000 1.081 303 L CA 1.014 55.946 54.840 0.154 0.000 0.752 303 L CB -0.462 41.637 42.059 0.066 0.000 0.896 303 L HN 0.357 nan 8.230 nan 0.000 0.433 304 L N -0.686 120.638 121.223 0.169 0.000 2.093 304 L HA -0.218 4.126 4.340 0.008 0.000 0.208 304 L C 2.184 179.161 176.870 0.178 0.000 1.085 304 L CA 1.457 56.398 54.840 0.168 0.000 0.755 304 L CB -0.602 41.551 42.059 0.157 0.000 0.904 304 L HN 0.389 nan 8.230 nan 0.000 0.435 305 N N -0.903 117.894 118.700 0.162 0.000 2.106 305 N HA -0.209 4.535 4.740 0.008 0.000 0.188 305 N C 1.857 177.456 175.510 0.149 0.000 1.029 305 N CA 1.072 54.196 53.050 0.122 0.000 0.848 305 N CB -0.149 38.367 38.487 0.049 0.000 1.007 305 N HN 0.222 nan 8.380 nan 0.000 0.423 306 Y N 0.987 121.354 120.300 0.111 0.000 2.403 306 Y HA -0.116 4.439 4.550 0.008 0.000 0.291 306 Y C 2.083 178.070 175.900 0.146 0.000 1.143 306 Y CA 0.579 58.744 58.100 0.108 0.000 1.257 306 Y CB -0.037 38.461 38.460 0.063 0.000 0.984 306 Y HN 0.109 nan 8.280 nan 0.000 0.550 307 L N -1.508 119.887 121.223 0.285 0.000 2.095 307 L HA -0.172 4.173 4.340 0.008 0.000 0.204 307 L C 2.170 179.204 176.870 0.273 0.000 1.080 307 L CA 1.490 56.485 54.840 0.258 0.000 0.759 307 L CB -0.909 41.271 42.059 0.202 0.000 0.914 307 L HN 0.270 nan 8.230 nan 0.000 0.439 308 Y N -0.265 120.099 120.300 0.106 0.000 2.165 308 Y HA -0.268 4.286 4.550 0.008 0.000 0.286 308 Y C 2.205 178.127 175.900 0.037 0.000 1.155 308 Y CA 1.938 60.065 58.100 0.045 0.000 1.164 308 Y CB -0.294 38.168 38.460 0.002 0.000 0.978 308 Y HN 0.152 nan 8.280 nan 0.000 0.513 309 L N -1.305 119.969 121.223 0.086 0.000 2.046 309 L HA -0.231 4.114 4.340 0.008 0.000 0.208 309 L C 2.361 179.249 176.870 0.029 0.000 1.077 309 L CA 1.637 56.469 54.840 -0.013 0.000 0.747 309 L CB -0.791 41.257 42.059 -0.018 0.000 0.896 309 L HN 0.305 nan 8.230 nan 0.000 0.432 310 F N 0.949 120.910 119.950 0.019 0.000 2.134 310 F HA -0.140 4.391 4.527 0.008 0.000 0.299 310 F C 2.245 178.058 175.800 0.021 0.000 1.097 310 F CA 1.500 59.548 58.000 0.081 0.000 1.264 310 F CB -0.678 38.390 39.000 0.112 0.000 1.001 310 F HN -0.008 nan 8.300 nan 0.000 0.479 311 G N 0.250 109.017 108.800 -0.054 0.000 2.476 311 G HA2 -0.290 3.674 3.960 0.008 0.000 0.218 311 G HA3 -0.290 3.674 3.960 0.008 0.000 0.218 311 G C 1.553 176.194 174.900 -0.433 0.000 1.164 311 G CA 1.032 45.962 45.100 -0.284 0.000 0.768 311 G HN 0.382 nan 8.290 nan 0.000 0.560 312 E N -0.189 119.758 120.200 -0.422 0.000 2.118 312 E HA -0.170 4.184 4.350 0.008 0.000 0.195 312 E C 2.050 178.486 176.600 -0.274 0.000 0.992 312 E CA 1.112 57.294 56.400 -0.364 0.000 0.804 312 E CB -0.396 29.116 29.700 -0.312 0.000 0.741 312 E HN 0.659 nan 8.360 nan 0.000 0.458 313 Y N 1.710 121.790 120.300 -0.368 0.000 2.163 313 Y HA -0.206 4.349 4.550 0.008 0.000 0.288 313 Y C 2.286 177.915 175.900 -0.452 0.000 1.136 313 Y CA 1.121 59.011 58.100 -0.351 0.000 1.147 313 Y CB -0.547 37.713 38.460 -0.332 0.000 0.987 313 Y HN -0.216 nan 8.280 nan 0.000 0.509 314 V N 1.267 120.594 119.914 -0.979 0.000 2.252 314 V HA -0.372 3.753 4.120 0.008 0.000 0.249 314 V C 2.297 177.909 176.094 -0.803 0.000 1.056 314 V CA 2.463 64.083 62.300 -1.134 0.000 1.022 314 V CB -0.772 30.473 31.823 -0.963 0.000 0.641 314 V HN 0.481 nan 8.190 nan 0.000 0.445 315 E N 0.109 119.972 120.200 -0.562 0.000 2.070 315 E HA -0.257 4.098 4.350 0.008 0.000 0.197 315 E C 2.115 178.526 176.600 -0.314 0.000 1.004 315 E CA 1.642 57.808 56.400 -0.390 0.000 0.805 315 E CB -0.274 29.228 29.700 -0.330 0.000 0.744 315 E HN 0.588 nan 8.360 nan 0.000 0.451 316 N N 0.626 119.137 118.700 -0.315 0.000 2.120 316 N HA -0.166 4.578 4.740 0.008 0.000 0.188 316 N C 1.725 177.100 175.510 -0.226 0.000 1.024 316 N CA 0.996 53.916 53.050 -0.217 0.000 0.852 316 N CB -0.210 38.184 38.487 -0.154 0.000 1.003 316 N HN 0.107 nan 8.380 nan 0.000 0.424 317 E N 1.076 121.043 120.200 -0.388 0.000 2.106 317 E HA -0.019 4.336 4.350 0.008 0.000 0.192 317 E C 1.590 178.114 176.600 -0.127 0.000 0.984 317 E CA 1.153 57.381 56.400 -0.287 0.000 0.806 317 E CB 0.100 29.505 29.700 -0.492 0.000 0.750 317 E HN 0.261 nan 8.360 nan 0.000 0.458 318 K N 0.083 120.361 120.400 -0.203 0.000 2.057 318 K HA -0.165 4.159 4.320 0.008 0.000 0.206 318 K C 2.213 178.796 176.600 -0.029 0.000 1.050 318 K CA 1.348 57.590 56.287 -0.075 0.000 0.935 318 K CB -0.106 32.312 32.500 -0.136 0.000 0.715 318 K HN 0.186 nan 8.250 nan 0.000 0.439 319 E N 1.715 121.878 120.200 -0.062 0.000 2.038 319 E HA -0.247 4.107 4.350 0.008 0.000 0.195 319 E C 1.855 178.452 176.600 -0.004 0.000 1.000 319 E CA 1.723 58.113 56.400 -0.018 0.000 0.803 319 E CB 0.035 29.708 29.700 -0.045 0.000 0.750 319 E HN 0.254 nan 8.360 nan 0.000 0.448 320 K N -0.024 120.363 120.400 -0.021 0.000 2.442 320 K HA -0.073 4.252 4.320 0.008 0.000 0.198 320 K C 1.741 178.347 176.600 0.010 0.000 1.044 320 K CA 1.128 57.410 56.287 -0.008 0.000 0.948 320 K CB 0.145 32.639 32.500 -0.009 0.000 0.762 320 K HN 0.057 nan 8.250 nan 0.000 0.472 321 V N 0.464 120.391 119.914 0.022 0.000 3.052 321 V HA 0.095 4.220 4.120 0.008 0.000 0.254 321 V C 1.486 177.608 176.094 0.046 0.000 1.100 321 V CA 1.305 63.626 62.300 0.036 0.000 1.112 321 V CB 0.309 32.162 31.823 0.050 0.000 0.738 321 V HN 0.768 nan 8.190 nan 0.000 0.469 322 G N -0.192 108.644 108.800 0.060 0.000 2.192 322 G HA2 -0.177 3.788 3.960 0.008 0.000 0.193 322 G HA3 -0.177 3.788 3.960 0.008 0.000 0.193 322 G C 0.255 175.268 174.900 0.190 0.000 0.999 322 G CA -0.106 45.050 45.100 0.093 0.000 0.659 322 G HN 0.414 nan 8.290 nan 0.000 0.503 323 K N 0.016 120.504 120.400 0.146 0.000 2.120 323 K HA 0.542 4.867 4.320 0.008 0.000 0.245 323 K C 0.621 177.310 176.600 0.150 0.000 1.024 323 K CA -0.485 55.880 56.287 0.129 0.000 0.906 323 K CB 1.274 33.814 32.500 0.066 0.000 1.051 323 K HN -0.011 nan 8.250 nan 0.000 0.491 324 V N 4.173 124.045 119.914 -0.071 0.000 2.439 324 V HA 0.060 4.185 4.120 0.008 0.000 0.271 324 V C -1.881 174.172 176.094 -0.069 0.000 1.040 324 V CA -1.072 61.107 62.300 -0.203 0.000 1.002 324 V CB 0.630 32.168 31.823 -0.475 0.000 1.000 324 V HN 0.656 nan 8.190 nan 0.000 0.477 325 P HA 0.181 nan 4.420 nan 0.000 0.231 325 P C -0.813 176.434 177.300 -0.089 0.000 1.811 325 P CA 0.005 63.057 63.100 -0.079 0.000 1.051 325 P CB -0.269 31.387 31.700 -0.073 0.000 1.951 326 F N 1.516 121.312 119.950 -0.256 0.000 2.444 326 F HA 0.515 5.046 4.527 0.008 0.000 0.342 326 F C -0.204 175.374 175.800 -0.371 0.000 1.121 326 F CA -0.681 57.135 58.000 -0.306 0.000 0.997 326 F CB 1.833 40.629 39.000 -0.341 0.000 1.130 326 F HN -0.037 nan 8.300 nan 0.000 0.454 327 S N 5.221 120.384 115.700 -0.895 0.000 2.449 327 S HA 0.297 4.772 4.470 0.008 0.000 0.310 327 S C 0.406 174.601 174.600 -0.675 0.000 1.096 327 S CA -0.456 57.374 58.200 -0.616 0.000 1.095 327 S CB 0.535 63.453 63.200 -0.471 0.000 1.007 327 S HN 0.710 nan 8.310 nan 0.000 0.474 328 Y N 2.274 122.499 120.300 -0.126 0.000 2.242 328 Y HA -0.104 4.450 4.550 0.008 0.000 0.291 328 Y C 2.702 178.600 175.900 -0.003 0.000 1.137 328 Y CA 1.245 59.357 58.100 0.019 0.000 1.181 328 Y CB -0.422 38.126 38.460 0.147 0.000 0.989 328 Y HN 0.728 nan 8.280 nan 0.000 0.527 329 C N -1.431 117.971 119.300 0.171 0.000 2.435 329 C HA -0.143 4.321 4.460 0.008 0.000 0.279 329 C C 3.029 178.067 174.990 0.079 0.000 1.321 329 C CA 1.322 60.441 59.018 0.169 0.000 1.752 329 C CB -1.048 26.874 27.740 0.304 0.000 1.959 329 C HN 0.528 nan 8.230 nan 0.000 0.500 330 S N 1.182 116.832 115.700 -0.084 0.000 2.345 330 S HA -0.125 4.350 4.470 0.008 0.000 0.219 330 S C 2.202 176.785 174.600 -0.028 0.000 1.031 330 S CA 1.869 59.978 58.200 -0.152 0.000 0.984 330 S CB -0.306 62.650 63.200 -0.407 0.000 0.874 330 S HN 0.790 nan 8.310 nan 0.000 0.451 331 S N 0.476 116.069 115.700 -0.178 0.000 2.428 331 S HA 0.005 4.480 4.470 0.008 0.000 0.230 331 S C 1.786 176.412 174.600 0.043 0.000 1.014 331 S CA 0.983 59.128 58.200 -0.092 0.000 0.957 331 S CB -0.509 62.583 63.200 -0.180 0.000 0.784 331 S HN 0.300 nan 8.310 nan 0.000 0.499 332 V N 2.386 122.351 119.914 0.084 0.000 2.283 332 V HA -0.021 4.103 4.120 0.008 0.000 0.243 332 V C 3.161 179.318 176.094 0.104 0.000 1.039 332 V CA 1.461 63.828 62.300 0.110 0.000 1.016 332 V CB -1.467 30.436 31.823 0.132 0.000 0.650 332 V HN 0.635 nan 8.190 nan 0.000 0.449 333 A N 0.962 123.865 122.820 0.139 0.000 1.915 333 A HA -0.308 4.016 4.320 0.008 0.000 0.220 333 A C 2.511 180.151 177.584 0.094 0.000 1.198 333 A CA 3.071 55.206 52.037 0.164 0.000 0.647 333 A CB -0.945 18.223 19.000 0.280 0.000 0.825 333 A HN 0.697 nan 8.150 nan 0.000 0.456 334 S N -0.520 115.223 115.700 0.072 0.000 2.357 334 S HA -0.138 4.336 4.470 0.008 0.000 0.221 334 S C 1.983 176.534 174.600 -0.081 0.000 1.031 334 S CA 1.165 59.321 58.200 -0.074 0.000 0.982 334 S CB -0.406 62.745 63.200 -0.080 0.000 0.853 334 S HN 0.563 nan 8.310 nan 0.000 0.458 335 R N 0.937 121.413 120.500 -0.041 0.000 2.096 335 R HA 0.151 4.496 4.340 0.008 0.000 0.235 335 R C 2.237 178.634 176.300 0.162 0.000 1.127 335 R CA 1.543 57.635 56.100 -0.013 0.000 0.968 335 R CB -0.563 29.792 30.300 0.091 0.000 0.861 335 R HN 0.492 nan 8.270 nan 0.000 0.440 336 I N 0.010 120.635 120.570 0.092 0.000 2.202 336 I HA -0.265 3.909 4.170 0.008 0.000 0.242 336 I C 2.026 178.243 176.117 0.166 0.000 1.091 336 I CA 1.264 62.605 61.300 0.067 0.000 1.368 336 I CB -0.268 37.744 38.000 0.019 0.000 1.058 336 I HN 0.123 nan 8.210 nan 0.000 0.410 337 I N 1.100 121.731 120.570 0.102 0.000 2.163 337 I HA -0.310 3.865 4.170 0.008 0.000 0.243 337 I C 2.839 178.998 176.117 0.071 0.000 1.085 337 I CA 1.526 62.869 61.300 0.072 0.000 1.347 337 I CB -0.475 37.508 38.000 -0.028 0.000 1.044 337 I HN 0.187 nan 8.210 nan 0.000 0.408 338 A N 0.462 123.303 122.820 0.034 0.000 1.902 338 A HA -0.262 4.063 4.320 0.008 0.000 0.217 338 A C 2.255 179.999 177.584 0.267 0.000 1.181 338 A CA 1.544 53.595 52.037 0.022 0.000 0.623 338 A CB -1.035 17.790 19.000 -0.293 0.000 0.818 338 A HN 0.444 nan 8.150 nan 0.000 0.443 339 F N 2.014 122.146 119.950 0.304 0.000 2.046 339 F HA -0.262 4.270 4.527 0.007 0.000 0.297 339 F C 2.860 178.761 175.800 0.168 0.000 1.123 339 F CA 2.542 60.707 58.000 0.274 0.000 1.199 339 F CB -0.345 38.761 39.000 0.176 0.000 0.972 339 F HN 0.325 nan 8.300 nan 0.000 0.474 340 S N -0.423 115.531 115.700 0.424 0.000 2.382 340 S HA -0.176 4.299 4.470 0.008 0.000 0.228 340 S C 1.594 176.251 174.600 0.094 0.000 1.027 340 S CA 1.161 59.558 58.200 0.328 0.000 0.991 340 S CB -0.711 62.725 63.200 0.393 0.000 0.823 340 S HN 0.425 nan 8.310 nan 0.000 0.469 341 D N 1.724 122.141 120.400 0.030 0.000 1.865 341 D HA 0.064 4.709 4.640 0.008 0.000 0.279 341 D C 1.342 177.535 176.300 -0.178 0.000 1.015 341 D CA 0.816 54.783 54.000 -0.054 0.000 0.925 341 D CB -0.347 40.421 40.800 -0.054 0.000 1.252 341 D HN 0.324 nan 8.370 nan 0.000 0.480 342 Q N 0.448 120.108 119.800 -0.232 0.000 2.335 342 Q HA 0.119 4.464 4.340 0.008 0.000 0.180 342 Q C 0.121 175.781 176.000 -0.565 0.000 1.101 342 Q CA 0.182 55.800 55.803 -0.308 0.000 1.165 342 Q CB 0.305 28.889 28.738 -0.257 0.000 1.220 342 Q HN 0.337 nan 8.270 nan 0.000 0.626 343 D N -0.948 119.129 120.400 -0.539 0.000 2.729 343 D HA -0.132 4.513 4.640 0.008 0.000 0.188 343 D C 1.119 177.125 176.300 -0.491 0.000 0.917 343 D CA 0.898 54.475 54.000 -0.705 0.000 0.989 343 D CB -0.753 39.335 40.800 -1.187 0.000 1.034 343 D HN 0.723 nan 8.370 nan 0.000 0.463 344 E N 2.252 122.229 120.200 -0.373 0.000 2.219 344 E HA -0.228 4.126 4.350 0.008 0.000 0.198 344 E C 1.570 178.212 176.600 0.070 0.000 0.998 344 E CA 2.113 58.465 56.400 -0.080 0.000 0.818 344 E CB -0.271 29.413 29.700 -0.028 0.000 0.741 344 E HN 0.773 nan 8.360 nan 0.000 0.477 345 E N 0.483 120.711 120.200 0.047 0.000 2.244 345 E HA 0.024 4.379 4.350 0.008 0.000 0.196 345 E C 1.841 178.544 176.600 0.171 0.000 0.939 345 E CA 0.205 56.665 56.400 0.100 0.000 0.884 345 E CB -0.052 29.686 29.700 0.062 0.000 0.850 345 E HN 0.091 nan 8.360 nan 0.000 0.481 346 K N -0.822 119.675 120.400 0.162 0.000 2.354 346 K HA 0.200 4.524 4.320 0.008 0.000 0.194 346 K C -0.598 176.036 176.600 0.058 0.000 1.038 346 K CA 0.081 56.436 56.287 0.115 0.000 1.052 346 K CB 0.419 33.020 32.500 0.169 0.000 0.861 346 K HN 0.002 nan 8.250 nan 0.000 0.535 347 Y N -0.689 119.586 120.300 -0.041 0.000 2.650 347 Y HA 0.697 5.252 4.550 0.008 0.000 0.331 347 Y C -0.503 175.495 175.900 0.164 0.000 1.082 347 Y CA -1.499 56.613 58.100 0.020 0.000 1.171 347 Y CB 1.926 40.390 38.460 0.006 0.000 1.326 347 Y HN -0.131 nan 8.280 nan 0.000 0.513 348 A N 0.321 123.336 122.820 0.325 0.000 2.414 348 A HA 0.808 5.133 4.320 0.008 0.000 0.306 348 A C -1.424 176.095 177.584 -0.108 0.000 1.054 348 A CA -0.608 51.506 52.037 0.128 0.000 0.724 348 A CB 0.811 19.820 19.000 0.015 0.000 1.267 348 A HN 0.844 nan 8.150 nan 0.000 0.418 349 A N 2.920 125.324 122.820 -0.693 0.000 2.391 349 A HA 0.580 4.904 4.320 0.008 0.000 0.316 349 A C -0.288 177.127 177.584 -0.281 0.000 1.381 349 A CA -0.202 51.346 52.037 -0.815 0.000 0.998 349 A CB -0.473 17.673 19.000 -1.423 0.000 1.147 349 A HN 0.591 nan 8.150 nan 0.000 0.545 350 I N 3.636 124.147 120.570 -0.099 0.000 2.336 350 I HA 0.301 4.476 4.170 0.008 0.000 0.292 350 I C 0.069 176.138 176.117 -0.079 0.000 0.991 350 I CA -0.323 60.940 61.300 -0.062 0.000 1.227 350 I CB 0.996 38.991 38.000 -0.008 0.000 1.366 350 I HN 0.504 nan 8.210 nan 0.000 0.466 351 L N 4.427 125.570 121.223 -0.135 0.000 2.360 351 L HA 0.524 4.868 4.340 0.008 0.000 0.271 351 L C 0.329 177.002 176.870 -0.328 0.000 1.057 351 L CA -0.218 54.489 54.840 -0.222 0.000 0.803 351 L CB 1.788 43.745 42.059 -0.170 0.000 1.207 351 L HN 0.651 nan 8.230 nan 0.000 0.445 352 S N 1.783 117.170 115.700 -0.522 0.000 2.546 352 S HA 0.498 4.973 4.470 0.008 0.000 0.272 352 S C -2.275 172.093 174.600 -0.387 0.000 1.140 352 S CA -1.067 56.800 58.200 -0.555 0.000 0.920 352 S CB 1.980 64.518 63.200 -1.103 0.000 1.083 352 S HN 0.393 nan 8.310 nan 0.000 0.476 353 P HA 0.102 nan 4.420 nan 0.000 0.235 353 P C 0.177 177.452 177.300 -0.042 0.000 1.177 353 P CA 0.200 63.238 63.100 -0.103 0.000 0.785 353 P CB 0.058 31.719 31.700 -0.065 0.000 0.885 354 E N 1.511 121.707 120.200 -0.007 0.000 2.392 354 E HA 0.002 4.356 4.350 0.008 0.000 0.264 354 E C -0.046 176.646 176.600 0.153 0.000 1.024 354 E CA 0.023 56.477 56.400 0.090 0.000 0.903 354 E CB -0.300 29.496 29.700 0.159 0.000 0.963 354 E HN 0.041 nan 8.360 nan 0.000 0.432 355 D N 3.130 123.582 120.400 0.087 0.000 2.718 355 D HA -0.212 4.432 4.640 0.008 0.000 0.242 355 D C 0.710 177.050 176.300 0.067 0.000 1.123 355 D CA 0.962 55.002 54.000 0.067 0.000 0.690 355 D CB -1.585 39.256 40.800 0.069 0.000 1.059 355 D HN 0.894 nan 8.370 nan 0.000 0.429 356 G N -0.832 107.992 108.800 0.040 0.000 2.284 356 G HA2 0.012 3.977 3.960 0.008 0.000 0.261 356 G HA3 0.012 3.977 3.960 0.008 0.000 0.261 356 G C 0.736 175.652 174.900 0.026 0.000 0.997 356 G CA 0.907 46.023 45.100 0.026 0.000 0.621 356 G HN 1.760 nan 8.290 nan 0.000 0.534 357 G N -1.599 107.233 108.800 0.052 0.000 2.640 357 G HA2 0.604 4.569 3.960 0.008 0.000 0.686 357 G HA3 0.604 4.569 3.960 0.008 0.000 0.686 357 G C -0.663 174.299 174.900 0.103 0.000 1.229 357 G CA 0.136 45.236 45.100 0.001 0.000 0.796 357 G HN 2.213 nan 8.290 nan 0.000 0.654 358 Y N -1.610 118.659 120.300 -0.051 0.000 2.604 358 Y HA 0.776 5.330 4.550 0.007 0.000 0.331 358 Y C -0.378 175.466 175.900 -0.094 0.000 1.158 358 Y CA -1.323 56.735 58.100 -0.069 0.000 1.056 358 Y CB 0.844 39.281 38.460 -0.039 0.000 1.330 358 Y HN 1.162 nan 8.280 nan 0.000 0.457 359 M N 2.240 121.818 119.600 -0.036 0.000 2.404 359 M HA 0.691 5.176 4.480 0.008 0.000 0.338 359 M C -1.128 175.269 176.300 0.162 0.000 1.150 359 M CA -0.720 54.520 55.300 -0.100 0.000 1.016 359 M CB 2.398 34.730 32.600 -0.447 0.000 1.672 359 M HN 0.852 nan 8.290 nan 0.000 0.448 360 Q N 1.968 121.940 119.800 0.287 0.000 2.397 360 Q HA 0.737 5.082 4.340 0.008 0.000 0.275 360 Q C -1.790 174.335 176.000 0.209 0.000 1.090 360 Q CA -0.755 55.207 55.803 0.265 0.000 0.809 360 Q CB 2.614 31.536 28.738 0.306 0.000 1.362 360 Q HN 1.003 nan 8.270 nan 0.000 0.431 361 A N 2.414 125.194 122.820 -0.066 0.000 2.621 361 A HA 0.642 4.966 4.320 0.008 0.000 0.329 361 A C -0.261 177.372 177.584 0.080 0.000 1.458 361 A CA -0.117 51.894 52.037 -0.042 0.000 1.052 361 A CB -0.066 18.542 19.000 -0.654 0.000 1.142 361 A HN 0.657 nan 8.150 nan 0.000 0.523 362 A N 2.164 125.038 122.820 0.091 0.000 2.376 362 A HA 0.406 4.731 4.320 0.008 0.000 0.298 362 A C 0.437 177.874 177.584 -0.245 0.000 1.271 362 A CA -0.235 51.779 52.037 -0.037 0.000 0.926 362 A CB -0.592 18.399 19.000 -0.015 0.000 1.141 362 A HN 1.201 nan 8.150 nan 0.000 0.539 363 C N 4.853 123.835 119.300 -0.530 0.000 2.657 363 C HA 0.306 4.771 4.460 0.008 0.000 0.404 363 C C 1.475 176.170 174.990 -0.492 0.000 1.369 363 C CA -0.286 58.158 59.018 -0.956 0.000 1.665 363 C CB -1.841 25.400 27.740 -0.830 0.000 2.453 363 C HN 0.832 nan 8.230 nan 0.000 0.599 364 L N 3.154 124.080 121.223 -0.495 0.000 2.298 364 L HA 0.233 4.577 4.340 0.008 0.000 0.209 364 L C 0.728 177.299 176.870 -0.499 0.000 1.084 364 L CA 0.770 55.342 54.840 -0.447 0.000 0.816 364 L CB -0.241 41.483 42.059 -0.559 0.000 0.967 364 L HN 0.638 nan 8.230 nan 0.000 0.460 365 D N 0.618 120.704 120.400 -0.524 0.000 2.471 365 D HA 0.192 4.836 4.640 0.008 0.000 0.245 365 D C -2.036 174.189 176.300 -0.126 0.000 1.116 365 D CA -2.194 51.625 54.000 -0.301 0.000 0.853 365 D CB 1.994 42.589 40.800 -0.341 0.000 1.123 365 D HN -0.127 nan 8.370 nan 0.000 0.540 366 P HA 0.012 nan 4.420 nan 0.000 0.257 366 P C 0.959 178.297 177.300 0.064 0.000 1.281 366 P CA 0.098 63.197 63.100 -0.003 0.000 0.826 366 P CB 0.185 31.883 31.700 -0.004 0.000 1.237 367 S N -0.067 115.687 115.700 0.090 0.000 2.370 367 S HA -0.122 4.352 4.470 0.008 0.000 0.226 367 S C 2.287 176.954 174.600 0.112 0.000 1.033 367 S CA 1.564 59.841 58.200 0.129 0.000 1.011 367 S CB -1.887 61.392 63.200 0.132 0.000 0.852 367 S HN 0.242 nan 8.310 nan 0.000 0.457 368 G N 0.945 109.797 108.800 0.086 0.000 2.511 368 G HA2 0.140 4.105 3.960 0.008 0.000 0.217 368 G HA3 0.140 4.105 3.960 0.008 0.000 0.217 368 G C 1.335 176.285 174.900 0.084 0.000 1.133 368 G CA 0.550 45.696 45.100 0.077 0.000 0.792 368 G HN 0.568 nan 8.290 nan 0.000 0.539 369 I N 0.012 120.637 120.570 0.091 0.000 2.400 369 I HA 0.065 4.239 4.170 0.008 0.000 0.248 369 I C 2.359 178.549 176.117 0.121 0.000 1.109 369 I CA 0.549 61.906 61.300 0.094 0.000 1.425 369 I CB 0.034 38.082 38.000 0.080 0.000 1.094 369 I HN 0.060 nan 8.210 nan 0.000 0.425 370 L N 0.184 121.501 121.223 0.157 0.000 2.418 370 L HA -0.072 4.273 4.340 0.008 0.000 0.218 370 L C 2.357 179.420 176.870 0.322 0.000 1.125 370 L CA 0.583 55.571 54.840 0.245 0.000 0.835 370 L CB -0.382 41.840 42.059 0.272 0.000 0.953 370 L HN 0.273 nan 8.230 nan 0.000 0.454 371 E N 0.512 120.832 120.200 0.200 0.000 2.130 371 E HA -0.226 4.128 4.350 0.008 0.000 0.196 371 E C 2.088 178.731 176.600 0.072 0.000 0.998 371 E CA 1.563 58.012 56.400 0.081 0.000 0.806 371 E CB 0.116 29.827 29.700 0.017 0.000 0.738 371 E HN 0.314 nan 8.360 nan 0.000 0.459 372 V N 1.175 121.155 119.914 0.110 0.000 2.660 372 V HA -0.280 3.845 4.120 0.008 0.000 0.257 372 V C 2.277 178.481 176.094 0.183 0.000 1.088 372 V CA 1.384 63.749 62.300 0.108 0.000 1.106 372 V CB -0.560 31.316 31.823 0.088 0.000 0.686 372 V HN 0.337 nan 8.190 nan 0.000 0.481 373 L N 0.560 121.953 121.223 0.283 0.000 2.056 373 L HA -0.164 4.180 4.340 0.008 0.000 0.207 373 L C 2.601 179.649 176.870 0.297 0.000 1.078 373 L CA 1.909 56.968 54.840 0.365 0.000 0.749 373 L CB -0.666 41.675 42.059 0.470 0.000 0.901 373 L HN 0.436 nan 8.230 nan 0.000 0.433 374 K N 0.231 120.740 120.400 0.183 0.000 2.519 374 K HA -0.208 4.116 4.320 0.008 0.000 0.196 374 K C 1.616 178.143 176.600 -0.122 0.000 1.041 374 K CA 1.185 57.415 56.287 -0.095 0.000 0.954 374 K CB -0.254 31.744 32.500 -0.836 0.000 0.774 374 K HN 0.318 nan 8.250 nan 0.000 0.480 375 E N 1.228 121.415 120.200 -0.021 0.000 2.265 375 E HA -0.057 4.298 4.350 0.008 0.000 0.196 375 E C -0.310 176.328 176.600 0.063 0.000 0.996 375 E CA 0.494 56.901 56.400 0.012 0.000 0.832 375 E CB 0.337 30.066 29.700 0.047 0.000 0.756 375 E HN 0.363 nan 8.360 nan 0.000 0.491 376 S N -0.032 115.733 115.700 0.107 0.000 2.739 376 S HA 0.353 4.828 4.470 0.008 0.000 0.306 376 S C -0.694 173.969 174.600 0.106 0.000 1.115 376 S CA -0.980 57.278 58.200 0.098 0.000 0.985 376 S CB 1.435 64.703 63.200 0.113 0.000 1.133 376 S HN -0.049 nan 8.310 nan 0.000 0.541 377 K N 3.126 123.551 120.400 0.043 0.000 2.349 377 K HA 0.286 4.611 4.320 0.008 0.000 0.288 377 K C 0.058 176.696 176.600 0.063 0.000 1.058 377 K CA 0.029 56.329 56.287 0.022 0.000 0.953 377 K CB 0.248 32.641 32.500 -0.179 0.000 0.997 377 K HN 0.804 nan 8.250 nan 0.000 0.477 378 T N 0.475 115.143 114.554 0.190 0.000 2.925 378 T HA 0.743 5.098 4.350 0.008 0.000 0.285 378 T C 0.473 175.285 174.700 0.186 0.000 1.021 378 T CA -0.897 61.316 62.100 0.189 0.000 1.042 378 T CB 1.218 70.324 68.868 0.396 0.000 1.037 378 T HN 0.398 nan 8.240 nan 0.000 0.481 379 I N 1.645 122.260 120.570 0.076 0.000 2.534 379 I HA 0.241 4.416 4.170 0.008 0.000 0.286 379 I C -0.477 175.689 176.117 0.082 0.000 1.094 379 I CA -0.819 60.554 61.300 0.120 0.000 1.055 379 I CB 1.649 39.653 38.000 0.006 0.000 1.225 379 I HN 0.686 nan 8.210 nan 0.000 0.435 380 H N 7.351 126.463 119.070 0.070 0.000 2.724 380 H HA 0.422 4.982 4.556 0.008 0.000 0.278 380 H C -0.609 174.754 175.328 0.058 0.000 1.159 380 H CA -0.769 55.332 56.048 0.088 0.000 1.254 380 H CB 0.863 30.716 29.762 0.151 0.000 1.412 380 H HN 0.336 nan 8.280 nan 0.000 0.488 381 M N 1.454 121.136 119.600 0.137 0.000 2.264 381 M HA 0.199 4.684 4.480 0.008 0.000 0.352 381 M C 0.743 177.129 176.300 0.143 0.000 1.173 381 M CA -0.277 55.094 55.300 0.119 0.000 1.075 381 M CB 1.909 34.580 32.600 0.117 0.000 1.621 381 M HN 0.478 nan 8.290 nan 0.000 0.457 382 S N 1.271 117.049 115.700 0.130 0.000 4.772 382 S HA 0.423 4.897 4.470 0.008 0.000 0.177 382 S C 0.982 175.637 174.600 0.092 0.000 1.117 382 S CA 1.046 59.348 58.200 0.170 0.000 1.250 382 S CB -0.090 63.219 63.200 0.182 0.000 1.749 382 S HN 1.124 nan 8.310 nan 0.000 0.589 383 G N 0.499 109.331 108.800 0.053 0.000 2.175 383 G HA2 -0.147 3.818 3.960 0.008 0.000 0.244 383 G HA3 -0.147 3.818 3.960 0.008 0.000 0.244 383 G C 0.134 175.020 174.900 -0.024 0.000 0.982 383 G CA 0.508 45.613 45.100 0.009 0.000 0.641 383 G HN 1.072 nan 8.290 nan 0.000 0.527 384 T N 0.427 114.956 114.554 -0.042 0.000 3.305 384 T HA 0.486 4.840 4.350 0.008 0.000 0.309 384 T C -0.438 174.228 174.700 -0.056 0.000 0.889 384 T CA 0.117 62.154 62.100 -0.106 0.000 1.386 384 T CB 0.448 69.142 68.868 -0.290 0.000 0.929 384 T HN 1.258 nan 8.240 nan 0.000 0.538 385 L N -0.046 121.205 121.223 0.047 0.000 2.806 385 L HA 0.505 4.849 4.340 0.008 0.000 0.319 385 L C 0.788 177.759 176.870 0.169 0.000 1.307 385 L CA -0.621 54.288 54.840 0.114 0.000 0.710 385 L CB -0.430 41.672 42.059 0.072 0.000 1.093 385 L HN 0.295 nan 8.230 nan 0.000 0.546 386 D N 2.395 122.887 120.400 0.153 0.000 2.564 386 D HA -0.157 4.488 4.640 0.008 0.000 0.209 386 D C -1.362 174.991 176.300 0.089 0.000 1.075 386 D CA 2.200 56.290 54.000 0.150 0.000 0.922 386 D CB -0.350 40.553 40.800 0.173 0.000 1.186 386 D HN 0.437 nan 8.370 nan 0.000 0.487 387 P HA 0.031 nan 4.420 nan 0.000 0.282 387 P C 0.116 177.450 177.300 0.056 0.000 1.274 387 P CA -0.149 63.024 63.100 0.121 0.000 0.770 387 P CB 0.587 32.453 31.700 0.277 0.000 0.867 388 F N 3.726 123.468 119.950 -0.346 0.000 2.293 388 F HA -0.096 4.435 4.527 0.007 0.000 0.297 388 F C 1.321 177.008 175.800 -0.188 0.000 1.089 388 F CA 1.353 59.125 58.000 -0.380 0.000 1.377 388 F CB -0.370 38.210 39.000 -0.701 0.000 1.051 388 F HN 0.155 nan 8.300 nan 0.000 0.511 389 D N 0.344 120.591 120.400 -0.255 0.000 2.149 389 D HA -0.273 4.372 4.640 0.008 0.000 0.194 389 D C 2.124 178.045 176.300 -0.631 0.000 1.001 389 D CA 2.075 55.821 54.000 -0.424 0.000 0.849 389 D CB -0.789 39.733 40.800 -0.463 0.000 0.939 389 D HN 0.318 nan 8.370 nan 0.000 0.449 390 F N -0.603 118.900 119.950 -0.744 0.000 2.102 390 F HA -0.151 4.381 4.527 0.008 0.000 0.298 390 F C 2.327 177.655 175.800 -0.787 0.000 1.105 390 F CA 0.973 58.312 58.000 -1.101 0.000 1.239 390 F CB -0.812 37.046 39.000 -1.902 0.000 0.991 390 F HN -0.019 nan 8.300 nan 0.000 0.474 391 Y N 0.107 120.052 120.300 -0.591 0.000 2.165 391 Y HA -0.280 4.275 4.550 0.008 0.000 0.286 391 Y C 2.746 178.375 175.900 -0.452 0.000 1.155 391 Y CA 1.718 59.588 58.100 -0.382 0.000 1.164 391 Y CB -0.691 37.582 38.460 -0.312 0.000 0.978 391 Y HN 0.060 nan 8.280 nan 0.000 0.513 392 S N -0.462 114.844 115.700 -0.656 0.000 2.355 392 S HA -0.183 4.291 4.470 0.008 0.000 0.222 392 S C 1.826 176.293 174.600 -0.222 0.000 1.031 392 S CA 1.631 59.547 58.200 -0.472 0.000 0.993 392 S CB -0.519 62.404 63.200 -0.461 0.000 0.859 392 S HN 0.584 nan 8.310 nan 0.000 0.453 393 D N 0.941 121.199 120.400 -0.237 0.000 2.097 393 D HA -0.041 4.604 4.640 0.008 0.000 0.197 393 D C 1.967 178.320 176.300 0.089 0.000 0.984 393 D CA 1.234 55.193 54.000 -0.068 0.000 0.826 393 D CB -0.284 40.404 40.800 -0.187 0.000 0.973 393 D HN 0.441 nan 8.370 nan 0.000 0.460 394 I N 0.972 121.540 120.570 -0.003 0.000 2.113 394 I HA -0.234 3.941 4.170 0.008 0.000 0.238 394 I C 2.360 178.505 176.117 0.047 0.000 1.070 394 I CA 1.186 62.537 61.300 0.085 0.000 1.332 394 I CB -0.394 37.593 38.000 -0.022 0.000 1.044 394 I HN -0.054 nan 8.210 nan 0.000 0.402 395 T N 0.097 114.564 114.554 -0.144 0.000 2.915 395 T HA 0.011 4.366 4.350 0.008 0.000 0.269 395 T C 1.426 176.239 174.700 0.189 0.000 1.071 395 T CA 1.030 63.073 62.100 -0.096 0.000 1.132 395 T CB -0.381 68.191 68.868 -0.493 0.000 0.878 395 T HN 0.678 nan 8.240 nan 0.000 0.479 396 G N 1.168 110.051 108.800 0.138 0.000 2.198 396 G HA2 -0.226 3.739 3.960 0.008 0.000 0.257 396 G HA3 -0.226 3.739 3.960 0.008 0.000 0.257 396 G C -0.161 174.837 174.900 0.164 0.000 1.042 396 G CA -0.495 44.696 45.100 0.150 0.000 0.791 396 G HN 0.479 nan 8.290 nan 0.000 0.502 397 F N 1.134 121.103 119.950 0.032 0.000 2.347 397 F HA 0.390 4.921 4.527 0.008 0.000 0.366 397 F C 0.630 176.521 175.800 0.152 0.000 1.107 397 F CA -1.159 56.944 58.000 0.171 0.000 1.058 397 F CB 1.338 40.433 39.000 0.157 0.000 1.236 397 F HN 0.032 nan 8.300 nan 0.000 0.456 398 E N 6.660 127.008 120.200 0.246 0.000 1.892 398 E HA 0.194 4.549 4.350 0.008 0.000 0.271 398 E C -0.135 176.460 176.600 -0.008 0.000 1.146 398 E CA 0.031 56.516 56.400 0.142 0.000 1.096 398 E CB 0.376 30.148 29.700 0.120 0.000 1.155 398 E HN 0.602 nan 8.360 nan 0.000 0.458 399 I N -1.710 118.943 120.570 0.138 0.000 2.846 399 I HA 0.618 4.793 4.170 0.008 0.000 0.307 399 I C -2.488 173.659 176.117 0.050 0.000 1.053 399 I CA -2.945 58.350 61.300 -0.008 0.000 1.050 399 I CB 1.902 39.913 38.000 0.019 0.000 1.239 399 I HN -0.125 nan 8.210 nan 0.000 0.439 400 P HA 0.113 nan 4.420 nan 0.000 0.269 400 P C -1.277 175.878 177.300 -0.242 0.000 1.215 400 P CA 0.338 63.379 63.100 -0.098 0.000 0.780 400 P CB 0.483 32.130 31.700 -0.088 0.000 0.898 401 F N 2.406 122.069 119.950 -0.478 0.000 2.507 401 F HA 0.435 4.966 4.527 0.007 0.000 0.328 401 F C -0.708 174.899 175.800 -0.322 0.000 1.136 401 F CA -0.772 56.840 58.000 -0.647 0.000 0.930 401 F CB 1.532 39.899 39.000 -1.055 0.000 1.166 401 F HN 0.016 nan 8.300 nan 0.000 0.436 402 K N 4.994 124.840 120.400 -0.922 0.000 2.318 402 K HA 0.287 4.611 4.320 0.008 0.000 0.249 402 K C -0.885 175.158 176.600 -0.929 0.000 0.942 402 K CA -0.918 54.930 56.287 -0.731 0.000 0.808 402 K CB 2.260 34.537 32.500 -0.371 0.000 1.189 402 K HN 0.666 nan 8.250 nan 0.000 0.428 403 K N 2.659 122.681 120.400 -0.629 0.000 3.127 403 K HA 0.297 4.621 4.320 0.008 0.000 0.236 403 K C -0.216 176.235 176.600 -0.249 0.000 1.271 403 K CA -0.173 55.857 56.287 -0.428 0.000 1.224 403 K CB -0.212 32.142 32.500 -0.245 0.000 1.482 403 K HN 0.509 nan 8.250 nan 0.000 0.435 404 I N 1.961 122.388 120.570 -0.237 0.000 2.574 404 I HA 0.061 4.236 4.170 0.008 0.000 0.291 404 I C 0.411 176.452 176.117 -0.126 0.000 1.131 404 I CA 0.351 61.560 61.300 -0.152 0.000 1.352 404 I CB 0.310 38.236 38.000 -0.124 0.000 1.431 404 I HN 0.484 nan 8.210 nan 0.000 0.543 405 G N 5.363 114.090 108.800 -0.120 0.000 2.289 405 G HA2 0.140 4.104 3.960 0.008 0.000 0.315 405 G HA3 0.140 4.104 3.960 0.008 0.000 0.315 405 G C -0.945 173.872 174.900 -0.138 0.000 1.587 405 G CA -0.800 44.221 45.100 -0.133 0.000 0.949 405 G HN 0.533 nan 8.290 nan 0.000 0.626 406 E N 1.525 121.670 120.200 -0.091 0.000 2.493 406 E HA 0.067 4.421 4.350 0.008 0.000 0.255 406 E C 0.456 176.995 176.600 -0.102 0.000 0.999 406 E CA 0.377 56.751 56.400 -0.043 0.000 0.934 406 E CB 1.082 30.804 29.700 0.037 0.000 0.940 406 E HN 0.391 nan 8.360 nan 0.000 0.473 407 I N 4.587 125.121 120.570 -0.060 0.000 2.471 407 I HA 0.070 4.245 4.170 0.008 0.000 0.286 407 I C 0.348 176.527 176.117 0.104 0.000 1.079 407 I CA -0.035 61.214 61.300 -0.086 0.000 1.398 407 I CB 0.231 38.212 38.000 -0.031 0.000 1.403 407 I HN 0.335 nan 8.210 nan 0.000 0.530 408 F N 6.715 126.678 119.950 0.021 0.000 2.429 408 F HA 0.281 4.813 4.527 0.007 0.000 0.348 408 F C -1.477 174.342 175.800 0.031 0.000 1.109 408 F CA -2.212 55.804 58.000 0.027 0.000 1.232 408 F CB 0.375 39.395 39.000 0.033 0.000 1.157 408 F HN 0.284 nan 8.300 nan 0.000 0.564 409 P HA 0.066 nan 4.420 nan 0.000 0.271 409 P C -2.219 175.164 177.300 0.139 0.000 1.216 409 P CA -1.360 61.824 63.100 0.139 0.000 0.776 409 P CB 0.624 32.385 31.700 0.101 0.000 0.881 410 P HA -0.102 nan 4.420 nan 0.000 0.225 410 P C 1.070 178.444 177.300 0.122 0.000 1.156 410 P CA 1.108 64.268 63.100 0.101 0.000 0.787 410 P CB 0.114 31.856 31.700 0.070 0.000 0.802 411 E N -0.370 119.908 120.200 0.131 0.000 2.347 411 E HA -0.103 4.251 4.350 0.008 0.000 0.196 411 E C 1.228 177.978 176.600 0.249 0.000 1.008 411 E CA 0.444 56.950 56.400 0.176 0.000 0.852 411 E CB -0.772 28.997 29.700 0.114 0.000 0.783 411 E HN 0.068 nan 8.360 nan 0.000 0.505 412 N N 0.829 119.645 118.700 0.194 0.000 2.515 412 N HA 0.020 4.764 4.740 0.008 0.000 0.185 412 N C -0.201 175.511 175.510 0.336 0.000 1.109 412 N CA 0.440 53.613 53.050 0.204 0.000 0.903 412 N CB 0.187 38.737 38.487 0.106 0.000 0.969 412 N HN 0.228 nan 8.380 nan 0.000 0.450 413 R N -0.594 120.068 120.500 0.270 0.000 2.778 413 R HA 0.372 4.716 4.340 0.008 0.000 0.277 413 R C -1.329 174.895 176.300 -0.127 0.000 0.977 413 R CA -0.785 55.387 56.100 0.119 0.000 0.950 413 R CB 1.602 31.947 30.300 0.075 0.000 1.165 413 R HN -0.019 nan 8.270 nan 0.000 0.474 414 Y N 2.187 122.125 120.300 -0.604 0.000 2.322 414 Y HA 0.459 5.014 4.550 0.007 0.000 0.324 414 Y C -1.354 174.300 175.900 -0.410 0.000 1.027 414 Y CA -0.748 56.882 58.100 -0.785 0.000 1.179 414 Y CB 1.052 38.476 38.460 -1.727 0.000 1.136 414 Y HN 0.506 nan 8.280 nan 0.000 0.449 415 I N 5.693 125.881 120.570 -0.637 0.000 2.433 415 I HA 0.886 5.061 4.170 0.008 0.000 0.292 415 I C -0.489 175.290 176.117 -0.564 0.000 1.001 415 I CA -0.866 60.169 61.300 -0.443 0.000 1.119 415 I CB 1.679 39.551 38.000 -0.213 0.000 1.289 415 I HN 0.711 nan 8.210 nan 0.000 0.438 416 A N 5.389 127.974 122.820 -0.391 0.000 2.606 416 A HA 0.810 5.135 4.320 0.008 0.000 0.293 416 A C -1.692 175.890 177.584 -0.004 0.000 1.082 416 A CA -0.546 51.340 52.037 -0.252 0.000 0.685 416 A CB 1.649 20.406 19.000 -0.405 0.000 1.284 416 A HN 0.729 nan 8.150 nan 0.000 0.408 417 Y N -0.925 119.352 120.300 -0.038 0.000 2.598 417 Y HA 0.854 5.410 4.550 0.009 0.000 0.340 417 Y C -1.128 174.847 175.900 0.124 0.000 1.038 417 Y CA -1.535 56.582 58.100 0.030 0.000 1.100 417 Y CB 1.311 39.782 38.460 0.017 0.000 1.281 417 Y HN 0.896 nan 8.280 nan 0.000 0.488 418 Y N 1.705 122.030 120.300 0.042 0.000 2.477 418 Y HA 0.414 4.967 4.550 0.005 0.000 0.347 418 Y C -0.472 175.468 175.900 0.067 0.000 0.981 418 Y CA -1.234 56.849 58.100 -0.028 0.000 1.033 418 Y CB 2.114 40.571 38.460 -0.006 0.000 1.245 418 Y HN 0.782 nan 8.280 nan 0.000 0.455 419 D N 2.755 122.704 120.400 -0.752 0.000 2.113 419 D HA 0.045 4.690 4.640 0.008 0.000 0.206 419 D C 2.156 178.044 176.300 -0.687 0.000 0.979 419 D CA 1.766 55.448 54.000 -0.530 0.000 0.862 419 D CB -0.737 39.852 40.800 -0.351 0.000 1.013 419 D HN 0.872 nan 8.370 nan 0.000 0.455 420 G N 0.990 109.133 108.800 -1.095 0.000 2.913 420 G HA2 -0.362 3.602 3.960 0.008 0.000 0.285 420 G HA3 -0.362 3.602 3.960 0.008 0.000 0.285 420 G C 0.815 175.654 174.900 -0.101 0.000 1.081 420 G CA 1.521 46.379 45.100 -0.403 0.000 0.784 420 G HN 0.339 nan 8.290 nan 0.000 0.705 421 V N 2.425 122.343 119.914 0.007 0.000 2.180 421 V HA 0.271 4.395 4.120 0.008 0.000 0.238 421 V C 0.796 176.916 176.094 0.042 0.000 1.337 421 V CA 0.307 62.655 62.300 0.081 0.000 1.338 421 V CB -0.472 31.441 31.823 0.150 0.000 1.431 421 V HN 0.587 nan 8.190 nan 0.000 0.498 422 S N 2.342 118.056 115.700 0.024 0.000 2.499 422 S HA 0.309 4.784 4.470 0.008 0.000 0.275 422 S C 0.280 174.919 174.600 0.066 0.000 1.257 422 S CA -0.420 57.799 58.200 0.033 0.000 1.050 422 S CB 1.401 64.610 63.200 0.015 0.000 0.937 422 S HN 0.531 nan 8.310 nan 0.000 0.490 423 S N 2.710 118.459 115.700 0.081 0.000 2.466 423 S HA 0.272 4.746 4.470 0.008 0.000 0.313 423 S C 0.912 175.556 174.600 0.074 0.000 1.078 423 S CA -0.836 57.426 58.200 0.103 0.000 1.115 423 S CB -0.024 63.257 63.200 0.136 0.000 1.006 423 S HN 0.665 nan 8.310 nan 0.000 0.487 424 K N 3.252 123.691 120.400 0.064 0.000 2.098 424 K HA 0.102 4.426 4.320 0.008 0.000 0.203 424 K C -0.108 176.421 176.600 -0.118 0.000 1.051 424 K CA 1.041 57.318 56.287 -0.017 0.000 0.957 424 K CB -0.031 32.475 32.500 0.010 0.000 0.738 424 K HN 0.610 nan 8.250 nan 0.000 0.447 425 Y N 0.637 120.963 120.300 0.043 0.000 2.496 425 Y HA 0.100 4.654 4.550 0.007 0.000 0.331 425 Y C 1.026 176.968 175.900 0.069 0.000 1.140 425 Y CA -0.574 57.554 58.100 0.046 0.000 1.166 425 Y CB 1.459 39.941 38.460 0.037 0.000 1.249 425 Y HN -0.053 nan 8.280 nan 0.000 0.479 426 D N -0.512 120.045 120.400 0.262 0.000 2.355 426 D HA 0.060 4.704 4.640 0.008 0.000 0.206 426 D C -0.070 176.336 176.300 0.177 0.000 1.010 426 D CA 0.764 54.886 54.000 0.204 0.000 0.875 426 D CB 0.401 41.316 40.800 0.192 0.000 0.966 426 D HN 0.426 nan 8.370 nan 0.000 0.512 427 T N 0.924 115.582 114.554 0.173 0.000 3.734 427 T HA 0.429 4.784 4.350 0.008 0.000 0.238 427 T C -0.022 174.712 174.700 0.057 0.000 1.205 427 T CA -0.240 61.925 62.100 0.108 0.000 1.606 427 T CB 0.735 69.659 68.868 0.093 0.000 0.832 427 T HN -0.072 nan 8.240 nan 0.000 0.655 428 L N 0.264 121.522 121.223 0.059 0.000 2.963 428 L HA 0.531 4.875 4.340 0.008 0.000 0.273 428 L C -1.597 175.285 176.870 0.020 0.000 1.078 428 L CA -1.071 53.753 54.840 -0.026 0.000 0.970 428 L CB 2.044 43.968 42.059 -0.225 0.000 1.564 428 L HN 0.253 nan 8.230 nan 0.000 0.381 429 D N 1.400 121.792 120.400 -0.014 0.000 4.693 429 D HA -0.155 4.490 4.640 0.008 0.000 0.242 429 D C 0.685 177.003 176.300 0.030 0.000 1.084 429 D CA 1.003 55.016 54.000 0.021 0.000 1.227 429 D CB 0.224 41.065 40.800 0.069 0.000 0.779 429 D HN 0.650 nan 8.370 nan 0.000 0.380 430 E N 3.538 123.748 120.200 0.017 0.000 2.077 430 E HA -0.227 4.128 4.350 0.008 0.000 0.193 430 E C 1.766 178.386 176.600 0.034 0.000 0.989 430 E CA 1.557 57.970 56.400 0.022 0.000 0.800 430 E CB 0.059 29.766 29.700 0.012 0.000 0.746 430 E HN 0.671 nan 8.360 nan 0.000 0.452 431 K N 0.458 120.878 120.400 0.034 0.000 2.015 431 K HA -0.191 4.133 4.320 0.008 0.000 0.216 431 K C 1.826 178.458 176.600 0.053 0.000 1.052 431 K CA 1.796 58.108 56.287 0.041 0.000 0.937 431 K CB -0.054 32.470 32.500 0.039 0.000 0.719 431 K HN -0.033 nan 8.250 nan 0.000 0.446 432 E N 0.628 120.864 120.200 0.060 0.000 2.418 432 E HA -0.119 4.236 4.350 0.008 0.000 0.197 432 E C 1.818 178.466 176.600 0.079 0.000 1.026 432 E CA 0.422 56.865 56.400 0.072 0.000 0.862 432 E CB 0.040 29.787 29.700 0.079 0.000 0.799 432 E HN 0.398 nan 8.360 nan 0.000 0.518 433 L N 0.516 121.780 121.223 0.069 0.000 2.341 433 L HA -0.091 4.254 4.340 0.008 0.000 0.214 433 L C 1.197 178.109 176.870 0.070 0.000 1.115 433 L CA 0.822 55.704 54.840 0.070 0.000 0.820 433 L CB 0.215 42.306 42.059 0.054 0.000 0.944 433 L HN -0.102 nan 8.230 nan 0.000 0.452 434 D N -0.402 120.036 120.400 0.064 0.000 2.149 434 D HA -0.131 4.513 4.640 0.008 0.000 0.201 434 D C 2.179 178.527 176.300 0.080 0.000 0.972 434 D CA 0.941 54.980 54.000 0.065 0.000 0.835 434 D CB 0.057 40.890 40.800 0.054 0.000 0.966 434 D HN 0.157 nan 8.370 nan 0.000 0.476 435 R N -0.359 120.194 120.500 0.088 0.000 2.120 435 R HA -0.081 4.264 4.340 0.008 0.000 0.234 435 R C 2.027 178.403 176.300 0.127 0.000 1.123 435 R CA 0.883 57.051 56.100 0.113 0.000 0.975 435 R CB -0.212 30.163 30.300 0.125 0.000 0.866 435 R HN 0.183 nan 8.270 nan 0.000 0.446 436 M N 0.483 120.153 119.600 0.117 0.000 2.132 436 M HA -0.069 4.416 4.480 0.008 0.000 0.263 436 M C 2.071 178.436 176.300 0.109 0.000 1.065 436 M CA 1.738 57.106 55.300 0.114 0.000 1.122 436 M CB -0.152 32.516 32.600 0.113 0.000 1.365 436 M HN 0.126 nan 8.290 nan 0.000 0.411 437 A N -1.360 121.527 122.820 0.111 0.000 1.872 437 A HA -0.102 4.223 4.320 0.008 0.000 0.214 437 A C 2.184 179.848 177.584 0.134 0.000 1.187 437 A CA 2.117 54.233 52.037 0.132 0.000 0.614 437 A CB -1.302 17.763 19.000 0.108 0.000 0.826 437 A HN 0.532 nan 8.150 nan 0.000 0.442 438 T N -0.201 114.412 114.554 0.099 0.000 2.708 438 T HA -0.112 4.242 4.350 0.008 0.000 0.266 438 T C 1.903 176.630 174.700 0.046 0.000 1.037 438 T CA 1.638 63.785 62.100 0.078 0.000 1.146 438 T CB -0.440 68.468 68.868 0.066 0.000 0.865 438 T HN 0.136 nan 8.240 nan 0.000 0.435 439 V N 1.339 121.269 119.914 0.027 0.000 2.343 439 V HA -0.139 3.986 4.120 0.008 0.000 0.247 439 V C 2.382 178.441 176.094 -0.059 0.000 1.051 439 V CA 1.399 63.660 62.300 -0.064 0.000 1.036 439 V CB -0.657 31.085 31.823 -0.135 0.000 0.654 439 V HN 0.462 nan 8.190 nan 0.000 0.451 440 I N -0.054 120.521 120.570 0.008 0.000 2.127 440 I HA -0.312 3.863 4.170 0.008 0.000 0.241 440 I C 2.622 178.746 176.117 0.011 0.000 1.075 440 I CA 2.150 63.470 61.300 0.035 0.000 1.334 440 I CB -0.342 37.745 38.000 0.146 0.000 1.040 440 I HN 0.352 nan 8.210 nan 0.000 0.405 441 E N 0.697 120.950 120.200 0.088 0.000 2.153 441 E HA -0.251 4.104 4.350 0.008 0.000 0.194 441 E C 1.645 178.207 176.600 -0.063 0.000 0.988 441 E CA 1.435 57.858 56.400 0.037 0.000 0.811 441 E CB 0.114 29.932 29.700 0.198 0.000 0.746 441 E HN 0.407 nan 8.360 nan 0.000 0.466 442 D N 0.074 120.450 120.400 -0.040 0.000 2.117 442 D HA -0.141 4.503 4.640 0.008 0.000 0.198 442 D C 1.926 178.176 176.300 -0.084 0.000 0.982 442 D CA 0.910 54.873 54.000 -0.061 0.000 0.828 442 D CB -0.113 40.652 40.800 -0.059 0.000 0.967 442 D HN 0.290 nan 8.370 nan 0.000 0.464 443 I N 0.530 121.048 120.570 -0.087 0.000 2.202 443 I HA -0.186 3.988 4.170 0.008 0.000 0.242 443 I C 2.372 178.443 176.117 -0.077 0.000 1.091 443 I CA 0.729 61.991 61.300 -0.065 0.000 1.368 443 I CB -0.058 37.910 38.000 -0.053 0.000 1.058 443 I HN -0.050 nan 8.210 nan 0.000 0.410 444 I N 0.095 120.568 120.570 -0.162 0.000 2.202 444 I HA -0.265 3.909 4.170 0.008 0.000 0.242 444 I C 2.330 178.320 176.117 -0.212 0.000 1.091 444 I CA 1.237 62.399 61.300 -0.229 0.000 1.368 444 I CB -0.238 37.467 38.000 -0.493 0.000 1.058 444 I HN 0.181 nan 8.210 nan 0.000 0.410 445 L N 0.741 121.826 121.223 -0.231 0.000 2.201 445 L HA -0.172 4.172 4.340 0.008 0.000 0.212 445 L C 2.373 179.187 176.870 -0.095 0.000 1.105 445 L CA 1.705 56.456 54.840 -0.149 0.000 0.775 445 L CB -0.735 41.254 42.059 -0.116 0.000 0.913 445 L HN 0.177 nan 8.230 nan 0.000 0.440 446 K N -0.998 119.349 120.400 -0.089 0.000 2.099 446 K HA -0.014 4.310 4.320 0.008 0.000 0.203 446 K C 2.000 178.607 176.600 0.011 0.000 1.047 446 K CA 0.638 56.870 56.287 -0.092 0.000 0.963 446 K CB 0.091 32.513 32.500 -0.130 0.000 0.759 446 K HN 0.016 nan 8.250 nan 0.000 0.451 447 V N 1.863 121.815 119.914 0.063 0.000 2.407 447 V HA -0.177 3.948 4.120 0.008 0.000 0.248 447 V C 0.359 176.465 176.094 0.020 0.000 1.055 447 V CA 1.635 64.015 62.300 0.134 0.000 1.049 447 V CB -0.733 31.165 31.823 0.125 0.000 0.662 447 V HN 0.480 nan 8.190 nan 0.000 0.455 448 K N -0.046 120.339 120.400 -0.025 0.000 3.150 448 K HA -0.220 4.105 4.320 0.008 0.000 0.267 448 K C -0.159 176.392 176.600 -0.082 0.000 1.028 448 K CA 0.633 56.893 56.287 -0.044 0.000 0.753 448 K CB -1.113 31.377 32.500 -0.018 0.000 1.288 448 K HN 0.515 nan 8.250 nan 0.000 0.473 449 K N 0.088 120.429 120.400 -0.098 0.000 2.482 449 K HA 0.277 4.602 4.320 0.008 0.000 0.257 449 K C -0.573 176.001 176.600 -0.043 0.000 0.969 449 K CA -1.161 55.044 56.287 -0.137 0.000 0.842 449 K CB 1.063 33.366 32.500 -0.329 0.000 1.359 449 K HN 0.005 nan 8.250 nan 0.000 0.441 450 N N 2.168 120.848 118.700 -0.034 0.000 2.383 450 N HA -0.007 4.738 4.740 0.008 0.000 0.295 450 N C -0.982 174.648 175.510 0.201 0.000 1.281 450 N CA 0.665 53.759 53.050 0.073 0.000 1.048 450 N CB -0.062 38.377 38.487 -0.080 0.000 1.455 450 N HN 0.398 nan 8.380 nan 0.000 0.488 451 T N 2.139 116.814 114.554 0.201 0.000 2.895 451 T HA 0.613 4.968 4.350 0.008 0.000 0.283 451 T C 0.734 175.508 174.700 0.123 0.000 1.014 451 T CA -0.733 61.458 62.100 0.152 0.000 1.037 451 T CB 1.373 70.295 68.868 0.090 0.000 1.006 451 T HN 0.332 nan 8.240 nan 0.000 0.468 452 I N -0.722 119.847 120.570 -0.003 0.000 2.466 452 I HA 0.728 4.902 4.170 0.008 0.000 0.289 452 I C -1.134 174.820 176.117 -0.271 0.000 1.026 452 I CA -1.273 59.916 61.300 -0.185 0.000 1.078 452 I CB 1.700 39.446 38.000 -0.425 0.000 1.249 452 I HN 0.227 nan 8.210 nan 0.000 0.429 453 V N 6.934 126.751 119.914 -0.161 0.000 2.304 453 V HA 0.307 4.432 4.120 0.008 0.000 0.269 453 V C -0.499 175.335 176.094 -0.434 0.000 1.036 453 V CA -0.269 61.864 62.300 -0.278 0.000 0.840 453 V CB 0.260 31.964 31.823 -0.197 0.000 1.036 453 V HN 0.563 nan 8.190 nan 0.000 0.466 454 Y N 4.585 124.718 120.300 -0.279 0.000 2.359 454 Y HA 0.458 5.013 4.550 0.008 0.000 0.334 454 Y C 0.176 175.816 175.900 -0.433 0.000 1.058 454 Y CA -0.084 57.878 58.100 -0.229 0.000 1.244 454 Y CB 0.736 39.098 38.460 -0.163 0.000 1.187 454 Y HN 0.482 nan 8.280 nan 0.000 0.510 455 F N 4.230 124.160 119.950 -0.033 0.000 2.483 455 F HA 0.338 4.868 4.527 0.006 0.000 0.329 455 F C -1.396 174.350 175.800 -0.089 0.000 1.064 455 F CA -2.476 55.460 58.000 -0.108 0.000 0.986 455 F CB 0.999 39.888 39.000 -0.185 0.000 1.218 455 F HN 0.335 nan 8.300 nan 0.000 0.484 456 P HA 0.004 nan 4.420 nan 0.000 0.229 456 P C -0.309 177.026 177.300 0.058 0.000 1.160 456 P CA 0.818 63.945 63.100 0.044 0.000 0.777 456 P CB 0.418 32.146 31.700 0.045 0.000 0.814 457 S N -2.731 113.006 115.700 0.061 0.000 2.672 457 S HA 0.332 4.806 4.470 0.008 0.000 0.271 457 S C 0.161 174.737 174.600 -0.040 0.000 1.171 457 S CA -0.643 57.589 58.200 0.054 0.000 0.817 457 S CB 0.002 63.270 63.200 0.113 0.000 1.150 457 S HN -0.208 nan 8.310 nan 0.000 0.478 458 Y N 1.403 121.719 120.300 0.026 0.000 2.420 458 Y HA 0.034 4.589 4.550 0.008 0.000 0.292 458 Y C 3.121 179.021 175.900 0.001 0.000 1.119 458 Y CA 1.370 59.485 58.100 0.025 0.000 1.229 458 Y CB -0.285 38.213 38.460 0.064 0.000 1.026 458 Y HN 0.835 nan 8.280 nan 0.000 0.554 459 S N -0.346 115.444 115.700 0.149 0.000 2.368 459 S HA -0.154 4.321 4.470 0.008 0.000 0.224 459 S C 1.838 176.434 174.600 -0.007 0.000 1.029 459 S CA 1.152 59.395 58.200 0.072 0.000 0.988 459 S CB -0.811 62.433 63.200 0.072 0.000 0.838 459 S HN 0.269 nan 8.310 nan 0.000 0.462 460 L N 1.091 122.301 121.223 -0.022 0.000 2.072 460 L HA 0.192 4.536 4.340 0.008 0.000 0.205 460 L C 2.819 179.501 176.870 -0.314 0.000 1.079 460 L CA 1.771 56.577 54.840 -0.057 0.000 0.752 460 L CB -0.720 41.380 42.059 0.068 0.000 0.906 460 L HN 0.398 nan 8.230 nan 0.000 0.436 461 M N -0.602 118.644 119.600 -0.589 0.000 2.117 461 M HA -0.231 4.253 4.480 0.008 0.000 0.262 461 M C 1.532 177.479 176.300 -0.588 0.000 1.065 461 M CA 1.880 56.428 55.300 -1.254 0.000 1.114 461 M CB -0.113 31.891 32.600 -0.993 0.000 1.361 461 M HN 0.179 nan 8.290 nan 0.000 0.408 462 D N -0.180 120.075 120.400 -0.242 0.000 2.144 462 D HA -0.091 4.553 4.640 0.008 0.000 0.200 462 D C 2.028 178.271 176.300 -0.096 0.000 0.978 462 D CA 1.040 54.981 54.000 -0.098 0.000 0.833 462 D CB -0.161 40.635 40.800 -0.006 0.000 0.961 462 D HN 0.357 nan 8.370 nan 0.000 0.470 463 R N 0.075 120.513 120.500 -0.103 0.000 2.075 463 R HA -0.040 4.305 4.340 0.008 0.000 0.232 463 R C 2.189 178.449 176.300 -0.067 0.000 1.126 463 R CA 0.650 56.713 56.100 -0.062 0.000 0.963 463 R CB -0.288 29.991 30.300 -0.034 0.000 0.858 463 R HN 0.088 nan 8.270 nan 0.000 0.435 464 V N 1.954 121.794 119.914 -0.124 0.000 2.358 464 V HA -0.257 3.868 4.120 0.008 0.000 0.246 464 V C 2.318 178.381 176.094 -0.053 0.000 1.047 464 V CA 2.188 64.443 62.300 -0.074 0.000 1.035 464 V CB -0.599 31.182 31.823 -0.069 0.000 0.658 464 V HN 0.511 nan 8.190 nan 0.000 0.452 465 E N 1.943 122.094 120.200 -0.082 0.000 2.153 465 E HA -0.281 4.074 4.350 0.008 0.000 0.194 465 E C 1.875 178.448 176.600 -0.045 0.000 0.988 465 E CA 1.709 58.093 56.400 -0.026 0.000 0.811 465 E CB -0.593 29.140 29.700 0.056 0.000 0.746 465 E HN 0.764 nan 8.360 nan 0.000 0.466 466 N N 1.115 119.798 118.700 -0.029 0.000 2.446 466 N HA -0.084 4.660 4.740 0.008 0.000 0.179 466 N C 1.610 177.113 175.510 -0.011 0.000 1.054 466 N CA 0.433 53.472 53.050 -0.018 0.000 0.905 466 N CB -0.057 38.419 38.487 -0.018 0.000 0.973 466 N HN 0.210 nan 8.380 nan 0.000 0.448 467 R N 0.121 120.617 120.500 -0.006 0.000 2.112 467 R HA 0.211 4.555 4.340 0.008 0.000 0.216 467 R C 0.530 176.845 176.300 0.024 0.000 1.080 467 R CA 0.058 56.167 56.100 0.014 0.000 0.996 467 R CB 0.138 30.454 30.300 0.027 0.000 0.902 467 R HN -0.020 nan 8.270 nan 0.000 0.449 468 V N 1.475 121.393 119.914 0.006 0.000 2.963 468 V HA -0.031 4.094 4.120 0.008 0.000 0.306 468 V C 0.659 176.712 176.094 -0.069 0.000 1.077 468 V CA 0.667 62.959 62.300 -0.014 0.000 1.124 468 V CB 1.618 33.365 31.823 -0.127 0.000 0.987 468 V HN 0.425 nan 8.190 nan 0.000 0.487 469 S N 3.184 118.881 115.700 -0.006 0.000 2.694 469 S HA 0.419 4.893 4.470 0.008 0.000 0.232 469 S C -0.754 173.911 174.600 0.108 0.000 1.017 469 S CA -0.665 57.545 58.200 0.017 0.000 1.139 469 S CB -0.160 63.071 63.200 0.051 0.000 1.247 469 S HN 0.594 nan 8.310 nan 0.000 0.452 470 F N -0.754 119.248 119.950 0.085 0.000 2.563 470 F HA 0.750 5.280 4.527 0.005 0.000 0.316 470 F C -0.226 175.637 175.800 0.105 0.000 1.076 470 F CA -1.331 56.709 58.000 0.068 0.000 0.921 470 F CB 0.706 39.738 39.000 0.053 0.000 1.209 470 F HN 0.002 nan 8.300 nan 0.000 0.462 471 E N 4.215 124.519 120.200 0.174 0.000 2.383 471 E HA 0.068 4.423 4.350 0.008 0.000 0.257 471 E C -0.207 176.419 176.600 0.044 0.000 1.079 471 E CA 0.174 56.560 56.400 -0.022 0.000 0.934 471 E CB -0.112 29.541 29.700 -0.079 0.000 0.978 471 E HN 0.664 nan 8.360 nan 0.000 0.462 472 H N 1.747 120.692 119.070 -0.210 0.000 3.160 472 H HA 0.609 5.170 4.556 0.008 0.000 0.297 472 H C -0.853 174.325 175.328 -0.250 0.000 1.605 472 H CA -1.549 54.341 56.048 -0.265 0.000 1.418 472 H CB 1.195 30.493 29.762 -0.774 0.000 1.846 472 H HN 0.357 nan 8.280 nan 0.000 0.754 473 M N 2.154 121.655 119.600 -0.164 0.000 2.090 473 M HA 0.206 4.691 4.480 0.008 0.000 0.277 473 M C -0.631 175.655 176.300 -0.023 0.000 0.935 473 M CA -0.609 54.621 55.300 -0.116 0.000 0.966 473 M CB 1.559 34.143 32.600 -0.026 0.000 1.635 473 M HN 0.679 nan 8.290 nan 0.000 0.446 474 K N 2.334 122.731 120.400 -0.006 0.000 2.188 474 K HA 0.144 4.468 4.320 0.008 0.000 0.246 474 K C -0.380 176.294 176.600 0.124 0.000 1.026 474 K CA -0.242 56.116 56.287 0.119 0.000 0.871 474 K CB 0.718 33.279 32.500 0.102 0.000 1.042 474 K HN 0.690 nan 8.250 nan 0.000 0.509 475 E N 1.449 121.756 120.200 0.178 0.000 3.428 475 E HA 0.043 4.397 4.350 0.008 0.000 0.286 475 E C -1.701 175.040 176.600 0.235 0.000 1.204 475 E CA -0.384 56.108 56.400 0.154 0.000 1.015 475 E CB 0.305 30.066 29.700 0.101 0.000 1.370 475 E HN 0.586 nan 8.360 nan 0.000 0.391 476 Y N 1.424 121.819 120.300 0.158 0.000 2.299 476 Y HA 0.290 4.845 4.550 0.008 0.000 0.335 476 Y C 0.751 176.787 175.900 0.226 0.000 1.287 476 Y CA -0.028 58.226 58.100 0.256 0.000 1.424 476 Y CB 0.618 39.169 38.460 0.150 0.000 1.326 476 Y HN 0.232 nan 8.280 nan 0.000 0.567 477 R N 1.287 121.286 120.500 -0.835 0.000 2.802 477 R HA 0.189 4.534 4.340 0.008 0.000 0.264 477 R C 0.920 177.058 176.300 -0.271 0.000 0.996 477 R CA 1.491 57.182 56.100 -0.682 0.000 1.123 477 R CB -0.457 29.177 30.300 -1.111 0.000 0.996 477 R HN 1.075 nan 8.270 nan 0.000 0.444 478 G N 0.540 109.248 108.800 -0.153 0.000 2.604 478 G HA2 -0.305 3.659 3.960 0.008 0.000 0.205 478 G HA3 -0.305 3.659 3.960 0.008 0.000 0.205 478 G C 0.786 175.669 174.900 -0.029 0.000 1.186 478 G CA 0.053 45.124 45.100 -0.048 0.000 0.753 478 G HN 0.683 nan 8.290 nan 0.000 0.526 479 I N 0.712 121.274 120.570 -0.012 0.000 4.823 479 I HA -0.371 3.804 4.170 0.008 0.000 0.040 479 I C 0.654 176.759 176.117 -0.019 0.000 0.632 479 I CA 2.405 63.698 61.300 -0.012 0.000 0.503 479 I CB -1.987 35.999 38.000 -0.024 0.000 0.507 479 I HN 1.349 nan 8.210 nan 0.000 0.153 480 D N 2.518 122.904 120.400 -0.023 0.000 5.421 480 D HA -0.239 4.405 4.640 0.008 0.000 0.131 480 D C 0.332 176.605 176.300 -0.046 0.000 1.284 480 D CA 1.397 55.383 54.000 -0.023 0.000 1.044 480 D CB -0.021 40.776 40.800 -0.004 0.000 0.984 480 D HN 0.747 nan 8.370 nan 0.000 0.516 481 Q N 2.301 122.068 119.800 -0.054 0.000 2.197 481 Q HA -0.213 4.131 4.340 0.008 0.000 0.207 481 Q C 2.020 177.958 176.000 -0.103 0.000 0.984 481 Q CA 2.126 57.861 55.803 -0.112 0.000 0.869 481 Q CB -0.017 28.701 28.738 -0.034 0.000 0.906 481 Q HN 0.593 nan 8.270 nan 0.000 0.426 482 K N 0.689 121.103 120.400 0.023 0.000 2.001 482 K HA -0.142 4.182 4.320 0.008 0.000 0.208 482 K C 1.833 178.482 176.600 0.080 0.000 1.048 482 K CA 1.265 57.616 56.287 0.107 0.000 0.932 482 K CB -0.012 32.539 32.500 0.085 0.000 0.715 482 K HN 0.223 nan 8.250 nan 0.000 0.437 483 E N 0.814 121.032 120.200 0.028 0.000 2.347 483 E HA -0.083 4.271 4.350 0.008 0.000 0.196 483 E C 1.870 178.472 176.600 0.004 0.000 1.008 483 E CA 0.332 56.750 56.400 0.030 0.000 0.852 483 E CB 0.020 29.737 29.700 0.027 0.000 0.783 483 E HN 0.233 nan 8.360 nan 0.000 0.505 484 L N -0.389 120.787 121.223 -0.079 0.000 2.093 484 L HA -0.168 4.177 4.340 0.008 0.000 0.208 484 L C 1.944 178.751 176.870 -0.104 0.000 1.085 484 L CA 1.229 55.983 54.840 -0.145 0.000 0.755 484 L CB -0.361 41.522 42.059 -0.292 0.000 0.904 484 L HN 0.209 nan 8.230 nan 0.000 0.435 485 Y N -0.312 120.017 120.300 0.049 0.000 2.263 485 Y HA -0.220 4.334 4.550 0.008 0.000 0.292 485 Y C 3.054 178.989 175.900 0.058 0.000 1.130 485 Y CA 0.846 58.978 58.100 0.055 0.000 1.179 485 Y CB -0.263 38.225 38.460 0.046 0.000 0.998 485 Y HN 0.273 nan 8.280 nan 0.000 0.532 486 S N 0.241 116.056 115.700 0.191 0.000 2.374 486 S HA -0.288 4.187 4.470 0.008 0.000 0.227 486 S C 1.845 176.514 174.600 0.115 0.000 1.037 486 S CA 1.663 59.940 58.200 0.129 0.000 1.024 486 S CB -0.588 62.666 63.200 0.090 0.000 0.861 486 S HN 0.470 nan 8.310 nan 0.000 0.456 487 M N 0.668 120.330 119.600 0.103 0.000 2.160 487 M HA 0.202 4.687 4.480 0.008 0.000 0.264 487 M C 2.245 178.641 176.300 0.161 0.000 1.073 487 M CA 1.066 56.427 55.300 0.101 0.000 1.142 487 M CB -0.454 32.179 32.600 0.055 0.000 1.358 487 M HN 0.258 nan 8.290 nan 0.000 0.422 488 L N 0.029 121.356 121.223 0.175 0.000 2.127 488 L HA -0.244 4.100 4.340 0.008 0.000 0.211 488 L C 2.363 179.389 176.870 0.261 0.000 1.089 488 L CA 1.294 56.291 54.840 0.261 0.000 0.757 488 L CB -0.503 41.715 42.059 0.265 0.000 0.899 488 L HN 0.271 nan 8.230 nan 0.000 0.434 489 K N 0.022 120.541 120.400 0.198 0.000 2.026 489 K HA -0.161 4.164 4.320 0.008 0.000 0.208 489 K C 1.975 178.647 176.600 0.119 0.000 1.048 489 K CA 1.266 57.634 56.287 0.135 0.000 0.929 489 K CB -0.004 32.560 32.500 0.106 0.000 0.713 489 K HN 0.272 nan 8.250 nan 0.000 0.439 490 K N -0.319 120.168 120.400 0.145 0.000 2.418 490 K HA -0.059 4.265 4.320 0.008 0.000 0.195 490 K C 1.764 178.480 176.600 0.193 0.000 1.035 490 K CA 0.424 56.796 56.287 0.143 0.000 1.003 490 K CB 0.025 32.617 32.500 0.152 0.000 0.793 490 K HN 0.068 nan 8.250 nan 0.000 0.494 491 F N 3.080 123.067 119.950 0.063 0.000 2.094 491 F HA -0.124 4.407 4.527 0.007 0.000 0.291 491 F C 2.250 178.073 175.800 0.039 0.000 1.109 491 F CA 1.281 59.315 58.000 0.057 0.000 1.221 491 F CB -0.257 38.779 39.000 0.060 0.000 1.014 491 F HN -0.148 nan 8.300 nan 0.000 0.473 492 R N 0.141 120.536 120.500 -0.175 0.000 2.105 492 R HA -0.094 4.250 4.340 0.008 0.000 0.239 492 R C 2.140 178.323 176.300 -0.195 0.000 1.135 492 R CA 1.401 57.334 56.100 -0.278 0.000 0.967 492 R CB -0.682 29.568 30.300 -0.084 0.000 0.861 492 R HN 0.170 nan 8.270 nan 0.000 0.442 493 R N 0.664 121.103 120.500 -0.102 0.000 2.052 493 R HA 0.133 4.478 4.340 0.008 0.000 0.224 493 R C 0.038 176.258 176.300 -0.134 0.000 1.165 493 R CA 1.173 57.218 56.100 -0.092 0.000 0.939 493 R CB -0.229 30.042 30.300 -0.049 0.000 0.834 493 R HN 0.335 nan 8.270 nan 0.000 0.435 494 D N -1.750 118.564 120.400 -0.143 0.000 2.585 494 D HA 0.302 4.947 4.640 0.008 0.000 0.254 494 D C 0.311 176.514 176.300 -0.162 0.000 1.067 494 D CA -0.633 53.206 54.000 -0.269 0.000 1.090 494 D CB 1.127 41.617 40.800 -0.518 0.000 1.408 494 D HN 0.106 nan 8.370 nan 0.000 0.554 495 H N -0.296 118.767 119.070 -0.011 0.000 1.452 495 H HA -0.243 4.317 4.556 0.008 0.000 0.090 495 H C 0.951 176.292 175.328 0.021 0.000 0.789 495 H CA 1.414 57.471 56.048 0.013 0.000 1.901 495 H CB -1.373 28.411 29.762 0.038 0.000 2.257 495 H HN 0.699 nan 8.280 nan 0.000 0.961 496 G N -1.473 107.472 108.800 0.242 0.000 4.314 496 G HA2 0.085 4.050 3.960 0.008 0.000 0.166 496 G HA3 0.085 4.050 3.960 0.008 0.000 0.166 496 G C -0.393 174.681 174.900 0.290 0.000 1.213 496 G CA 0.421 45.642 45.100 0.202 0.000 1.027 496 G HN 0.707 nan 8.290 nan 0.000 0.352 497 T N 1.998 116.680 114.554 0.214 0.000 2.907 497 T HA 0.632 4.986 4.350 0.008 0.000 0.298 497 T C -0.282 174.511 174.700 0.156 0.000 1.017 497 T CA 0.593 62.818 62.100 0.209 0.000 1.118 497 T CB 1.397 70.428 68.868 0.273 0.000 0.948 497 T HN 0.231 nan 8.240 nan 0.000 0.531 498 I N 2.276 122.914 120.570 0.113 0.000 2.569 498 I HA 0.387 4.561 4.170 0.008 0.000 0.290 498 I C -0.613 175.649 176.117 0.242 0.000 1.088 498 I CA -0.800 60.523 61.300 0.038 0.000 1.047 498 I CB 1.997 39.881 38.000 -0.194 0.000 1.237 498 I HN 0.568 nan 8.210 nan 0.000 0.421 499 F N 4.054 124.052 119.950 0.079 0.000 2.385 499 F HA 0.756 5.286 4.527 0.005 0.000 0.336 499 F C 0.558 176.385 175.800 0.046 0.000 1.100 499 F CA -0.729 57.349 58.000 0.130 0.000 1.116 499 F CB 1.927 41.032 39.000 0.173 0.000 1.166 499 F HN 0.503 nan 8.300 nan 0.000 0.511 500 A N 2.204 125.170 122.820 0.243 0.000 2.589 500 A HA 0.594 4.918 4.320 0.008 0.000 0.296 500 A C -1.520 176.194 177.584 0.216 0.000 1.062 500 A CA -0.618 51.512 52.037 0.155 0.000 0.686 500 A CB 1.321 20.386 19.000 0.108 0.000 1.282 500 A HN 0.423 nan 8.150 nan 0.000 0.404 501 V N 1.923 121.846 119.914 0.015 0.000 2.530 501 V HA 0.239 4.364 4.120 0.008 0.000 0.282 501 V C 1.775 177.902 176.094 0.054 0.000 1.048 501 V CA 0.844 63.105 62.300 -0.066 0.000 0.997 501 V CB 1.315 32.856 31.823 -0.470 0.000 0.987 501 V HN 1.187 nan 8.190 nan 0.000 0.477 502 S N 4.760 120.469 115.700 0.016 0.000 2.369 502 S HA -0.176 4.298 4.470 0.008 0.000 0.225 502 S C 1.992 176.458 174.600 -0.222 0.000 1.043 502 S CA 2.283 60.355 58.200 -0.213 0.000 1.074 502 S CB -0.599 62.463 63.200 -0.231 0.000 0.962 502 S HN 1.091 nan 8.310 nan 0.000 0.433 503 G N 0.575 109.308 108.800 -0.112 0.000 2.586 503 G HA2 0.245 4.209 3.960 0.008 0.000 0.215 503 G HA3 0.245 4.209 3.960 0.008 0.000 0.215 503 G C 0.687 175.567 174.900 -0.032 0.000 1.128 503 G CA 0.616 45.672 45.100 -0.073 0.000 0.774 503 G HN 0.707 nan 8.290 nan 0.000 0.543 504 G N -0.249 108.545 108.800 -0.009 0.000 2.486 504 G HA2 0.260 4.224 3.960 0.008 0.000 0.272 504 G HA3 0.260 4.224 3.960 0.008 0.000 0.272 504 G C 0.847 175.761 174.900 0.024 0.000 1.426 504 G CA -0.704 44.417 45.100 0.035 0.000 1.058 504 G HN 0.269 nan 8.290 nan 0.000 0.531 505 R N -0.765 119.758 120.500 0.037 0.000 2.317 505 R HA 0.192 4.536 4.340 0.008 0.000 0.208 505 R C 1.833 178.150 176.300 0.029 0.000 0.914 505 R CA -0.200 55.911 56.100 0.019 0.000 1.060 505 R CB -0.066 30.235 30.300 0.001 0.000 1.015 505 R HN 0.288 nan 8.270 nan 0.000 0.498 506 L N 0.499 121.764 121.223 0.069 0.000 2.599 506 L HA 0.016 4.361 4.340 0.008 0.000 0.230 506 L C 2.026 178.971 176.870 0.125 0.000 1.141 506 L CA 0.397 55.297 54.840 0.101 0.000 0.877 506 L CB 0.031 42.180 42.059 0.151 0.000 1.009 506 L HN 0.111 nan 8.230 nan 0.000 0.447 507 S N -0.250 115.484 115.700 0.058 0.000 2.481 507 S HA -0.057 4.417 4.470 0.008 0.000 0.231 507 S C 1.140 175.767 174.600 0.044 0.000 0.996 507 S CA 0.621 58.828 58.200 0.011 0.000 0.942 507 S CB -0.046 63.121 63.200 -0.055 0.000 0.768 507 S HN 0.326 nan 8.310 nan 0.000 0.520 508 E N 1.864 122.094 120.200 0.051 0.000 2.354 508 E HA 0.371 4.726 4.350 0.008 0.000 0.260 508 E C 0.891 177.539 176.600 0.081 0.000 1.405 508 E CA 0.152 56.588 56.400 0.060 0.000 1.728 508 E CB -0.411 29.316 29.700 0.046 0.000 1.471 508 E HN 0.501 nan 8.360 nan 0.000 0.441 516 E N 1.496 121.651 120.200 -0.076 0.000 2.057 516 E HA 0.226 4.580 4.350 0.008 0.000 0.190 516 E C 0.706 177.204 176.600 -0.171 0.000 0.969 516 E CA 0.276 56.536 56.400 -0.234 0.000 0.812 516 E CB 0.700 30.184 29.700 -0.359 0.000 0.777 516 E HN 0.162 nan 8.360 nan 0.000 0.455 517 L N 0.906 122.160 121.223 0.051 0.000 2.476 517 L HA -0.005 4.340 4.340 0.008 0.000 0.264 517 L C 1.032 177.974 176.870 0.119 0.000 1.224 517 L CA 0.811 55.764 54.840 0.189 0.000 0.821 517 L CB 0.663 42.874 42.059 0.253 0.000 1.101 517 L HN 0.225 nan 8.230 nan 0.000 0.488 518 E N 0.199 120.494 120.200 0.158 0.000 2.447 518 E HA 0.161 4.516 4.350 0.008 0.000 0.244 518 E C -0.567 176.205 176.600 0.287 0.000 1.098 518 E CA -0.167 56.334 56.400 0.169 0.000 1.724 518 E CB 0.670 30.379 29.700 0.016 0.000 3.247 518 E HN 0.506 nan 8.360 nan 0.000 1.055 519 M N 1.835 121.568 119.600 0.223 0.000 2.457 519 M HA 0.516 5.001 4.480 0.008 0.000 0.300 519 M C -1.864 174.522 176.300 0.144 0.000 1.141 519 M CA -0.640 54.802 55.300 0.236 0.000 0.901 519 M CB 2.038 34.785 32.600 0.246 0.000 1.687 519 M HN -0.037 nan 8.290 nan 0.000 0.449 520 I N 5.368 126.006 120.570 0.114 0.000 2.436 520 I HA 0.409 4.584 4.170 0.008 0.000 0.289 520 I C -0.986 175.143 176.117 0.020 0.000 1.010 520 I CA -0.649 60.686 61.300 0.059 0.000 1.098 520 I CB 1.970 40.027 38.000 0.096 0.000 1.266 520 I HN 0.651 nan 8.210 nan 0.000 0.434 521 I N 7.264 127.810 120.570 -0.040 0.000 2.388 521 I HA 0.264 4.438 4.170 0.008 0.000 0.281 521 I C -0.203 175.815 176.117 -0.165 0.000 1.046 521 I CA -0.489 60.760 61.300 -0.086 0.000 1.187 521 I CB 0.962 38.902 38.000 -0.100 0.000 1.351 521 I HN 0.359 nan 8.210 nan 0.000 0.472 522 L N 6.135 127.285 121.223 -0.122 0.000 2.536 522 L HA 0.188 4.533 4.340 0.008 0.000 0.282 522 L C 1.175 177.907 176.870 -0.231 0.000 1.174 522 L CA -0.139 54.603 54.840 -0.164 0.000 0.989 522 L CB 0.337 42.306 42.059 -0.150 0.000 1.311 522 L HN 0.682 nan 8.230 nan 0.000 0.455 523 A N 3.990 126.561 122.820 -0.415 0.000 3.052 523 A HA 0.517 4.842 4.320 0.008 0.000 0.266 523 A C 0.972 178.431 177.584 -0.208 0.000 1.855 523 A CA 0.492 52.277 52.037 -0.420 0.000 1.473 523 A CB -0.888 17.527 19.000 -0.976 0.000 1.038 523 A HN 0.868 nan 8.150 nan 0.000 0.619 524 G N -0.219 108.504 108.800 -0.128 0.000 2.885 524 G HA2 0.185 4.150 3.960 0.008 0.000 0.685 524 G HA3 0.185 4.150 3.960 0.008 0.000 0.685 524 G C -0.874 173.913 174.900 -0.189 0.000 1.216 524 G CA -0.795 44.252 45.100 -0.090 0.000 0.790 524 G HN 0.974 nan 8.290 nan 0.000 0.631 525 L N 4.158 125.214 121.223 -0.280 0.000 2.410 525 L HA 0.518 4.863 4.340 0.008 0.000 0.273 525 L C -1.169 175.342 176.870 -0.598 0.000 1.144 525 L CA -1.923 52.591 54.840 -0.544 0.000 0.863 525 L CB 0.529 42.115 42.059 -0.788 0.000 1.140 525 L HN 0.424 nan 8.230 nan 0.000 0.463 526 P HA 0.061 nan 4.420 nan 0.000 0.237 526 P C -0.543 176.612 177.300 -0.241 0.000 1.788 526 P CA 0.027 62.944 63.100 -0.304 0.000 1.061 526 P CB -0.607 30.930 31.700 -0.273 0.000 1.967 527 F N 2.613 122.525 119.950 -0.063 0.000 2.450 527 F HA 0.223 4.755 4.527 0.008 0.000 0.339 527 F C -1.004 174.781 175.800 -0.025 0.000 1.146 527 F CA -2.280 55.696 58.000 -0.041 0.000 1.267 527 F CB -0.224 38.788 39.000 0.020 0.000 1.178 527 F HN 0.105 nan 8.300 nan 0.000 0.585 528 P HA 0.016 nan 4.420 nan 0.000 0.269 528 P C -0.844 176.534 177.300 0.130 0.000 1.215 528 P CA -0.387 62.784 63.100 0.118 0.000 0.780 528 P CB 0.393 32.147 31.700 0.089 0.000 0.898 529 R N 2.515 123.076 120.500 0.102 0.000 2.641 529 R HA 0.192 4.537 4.340 0.008 0.000 0.269 529 R C -2.295 174.055 176.300 0.083 0.000 1.074 529 R CA -1.771 54.388 56.100 0.098 0.000 1.133 529 R CB -1.313 29.039 30.300 0.086 0.000 1.029 529 R HN 0.260 nan 8.270 nan 0.000 0.488 530 P HA -0.027 nan 4.420 nan 0.000 0.297 530 P C -0.728 176.600 177.300 0.046 0.000 1.544 530 P CA 0.548 63.681 63.100 0.055 0.000 0.798 530 P CB -0.318 31.413 31.700 0.052 0.000 1.757 531 D N -0.021 120.411 120.400 0.053 0.000 2.390 531 D HA 0.017 4.661 4.640 0.008 0.000 0.236 531 D C 1.542 177.864 176.300 0.037 0.000 1.189 531 D CA 0.233 54.261 54.000 0.046 0.000 0.887 531 D CB 0.745 41.578 40.800 0.055 0.000 1.198 531 D HN 0.009 nan 8.370 nan 0.000 0.444 532 A N 2.048 124.883 122.820 0.024 0.000 1.933 532 A HA -0.148 4.177 4.320 0.008 0.000 0.218 532 A C 2.306 179.908 177.584 0.029 0.000 1.175 532 A CA 0.973 53.020 52.037 0.016 0.000 0.628 532 A CB -0.508 18.488 19.000 -0.007 0.000 0.814 532 A HN 0.654 nan 8.150 nan 0.000 0.444 533 I N 0.039 120.629 120.570 0.034 0.000 2.099 533 I HA -0.297 3.877 4.170 0.008 0.000 0.239 533 I C 2.224 178.379 176.117 0.064 0.000 1.066 533 I CA 1.479 62.801 61.300 0.037 0.000 1.324 533 I CB -0.552 37.470 38.000 0.036 0.000 1.037 533 I HN 0.375 nan 8.210 nan 0.000 0.401 534 N N 0.726 119.474 118.700 0.080 0.000 2.223 534 N HA -0.158 4.586 4.740 0.008 0.000 0.185 534 N C 1.971 177.577 175.510 0.159 0.000 1.016 534 N CA 1.164 54.286 53.050 0.120 0.000 0.863 534 N CB -0.202 38.349 38.487 0.107 0.000 0.983 534 N HN 0.347 nan 8.380 nan 0.000 0.429 535 R N 0.594 121.160 120.500 0.111 0.000 2.073 535 R HA 0.002 4.347 4.340 0.008 0.000 0.234 535 R C 2.415 178.811 176.300 0.160 0.000 1.134 535 R CA 1.407 57.573 56.100 0.110 0.000 0.952 535 R CB -0.087 30.242 30.300 0.048 0.000 0.850 535 R HN 0.126 nan 8.270 nan 0.000 0.433 536 S N 0.899 116.664 115.700 0.110 0.000 2.368 536 S HA -0.091 4.384 4.470 0.008 0.000 0.225 536 S C 1.915 176.588 174.600 0.121 0.000 1.030 536 S CA 0.955 59.212 58.200 0.095 0.000 0.999 536 S CB -0.200 63.023 63.200 0.039 0.000 0.844 536 S HN 0.220 nan 8.310 nan 0.000 0.459 537 L N -0.011 121.287 121.223 0.126 0.000 2.079 537 L HA -0.141 4.204 4.340 0.008 0.000 0.210 537 L C 2.242 179.276 176.870 0.272 0.000 1.081 537 L CA 1.435 56.360 54.840 0.141 0.000 0.752 537 L CB -0.491 41.697 42.059 0.214 0.000 0.896 537 L HN 0.277 nan 8.230 nan 0.000 0.433 538 F N 1.333 121.397 119.950 0.190 0.000 2.069 538 F HA -0.290 4.242 4.527 0.008 0.000 0.298 538 F C 2.257 178.157 175.800 0.166 0.000 1.113 538 F CA 1.955 60.090 58.000 0.225 0.000 1.214 538 F CB -0.155 38.960 39.000 0.192 0.000 0.978 538 F HN 0.118 nan 8.300 nan 0.000 0.474 539 D N -0.765 119.857 120.400 0.369 0.000 2.133 539 D HA -0.269 4.376 4.640 0.008 0.000 0.195 539 D C 1.952 178.273 176.300 0.034 0.000 0.997 539 D CA 1.705 55.824 54.000 0.198 0.000 0.840 539 D CB -0.838 40.060 40.800 0.164 0.000 0.947 539 D HN 0.443 nan 8.370 nan 0.000 0.452 540 Y N 0.065 120.285 120.300 -0.134 0.000 2.145 540 Y HA -0.251 4.303 4.550 0.007 0.000 0.286 540 Y C 1.656 177.323 175.900 -0.389 0.000 1.145 540 Y CA 1.615 59.525 58.100 -0.316 0.000 1.148 540 Y CB -0.440 37.725 38.460 -0.492 0.000 0.981 540 Y HN 0.055 nan 8.280 nan 0.000 0.507 541 Y N -0.468 119.826 120.300 -0.009 0.000 2.471 541 Y HA 0.008 4.562 4.550 0.008 0.000 0.286 541 Y C 2.006 177.735 175.900 -0.285 0.000 1.188 541 Y CA -0.124 57.875 58.100 -0.169 0.000 1.286 541 Y CB 0.160 38.645 38.460 0.042 0.000 1.072 541 Y HN 0.138 nan 8.280 nan 0.000 0.517 542 E N 0.466 120.552 120.200 -0.190 0.000 2.127 542 E HA 0.017 4.371 4.350 0.008 0.000 0.191 542 E C 1.817 178.311 176.600 -0.176 0.000 0.964 542 E CA 0.480 56.763 56.400 -0.195 0.000 0.832 542 E CB 0.079 29.691 29.700 -0.146 0.000 0.790 542 E HN 0.445 nan 8.360 nan 0.000 0.465 543 R N 0.470 120.842 120.500 -0.214 0.000 2.237 543 R HA -0.035 4.310 4.340 0.008 0.000 0.219 543 R C 2.090 178.181 176.300 -0.348 0.000 1.080 543 R CA 0.965 56.921 56.100 -0.239 0.000 0.995 543 R CB 0.147 30.307 30.300 -0.233 0.000 0.875 543 R HN -0.069 nan 8.270 nan 0.000 0.462 544 K N -1.085 119.013 120.400 -0.504 0.000 2.329 544 K HA 0.066 4.391 4.320 0.008 0.000 0.198 544 K C 0.521 176.675 176.600 -0.744 0.000 1.085 544 K CA 0.476 56.324 56.287 -0.732 0.000 0.961 544 K CB 0.580 32.414 32.500 -1.109 0.000 0.971 544 K HN 0.085 nan 8.250 nan 0.000 0.502 545 Y N -1.234 118.905 120.300 -0.269 0.000 2.563 545 Y HA 0.273 4.828 4.550 0.008 0.000 0.250 545 Y C 0.833 176.616 175.900 -0.194 0.000 1.126 545 Y CA -0.234 57.696 58.100 -0.284 0.000 1.231 545 Y CB 1.823 39.953 38.460 -0.551 0.000 1.288 545 Y HN 0.178 nan 8.280 nan 0.000 0.537 546 G N 1.905 110.671 108.800 -0.056 0.000 2.225 546 G HA2 -0.337 3.628 3.960 0.008 0.000 0.267 546 G HA3 -0.337 3.628 3.960 0.008 0.000 0.267 546 G C 0.123 175.025 174.900 0.003 0.000 1.024 546 G CA 0.577 45.658 45.100 -0.031 0.000 0.784 546 G HN 0.440 nan 8.290 nan 0.000 0.507 547 K N -0.767 119.629 120.400 -0.006 0.000 3.350 547 K HA 0.349 4.673 4.320 0.008 0.000 0.167 547 K C 1.643 178.273 176.600 0.050 0.000 1.058 547 K CA -0.029 56.311 56.287 0.088 0.000 0.783 547 K CB 0.503 33.129 32.500 0.210 0.000 0.872 547 K HN 0.220 nan 8.250 nan 0.000 0.561 548 G N 0.635 109.267 108.800 -0.279 0.000 2.432 548 G HA2 -0.231 3.734 3.960 0.008 0.000 0.219 548 G HA3 -0.231 3.734 3.960 0.008 0.000 0.219 548 G C 1.040 175.746 174.900 -0.325 0.000 1.135 548 G CA 0.274 44.990 45.100 -0.640 0.000 0.767 548 G HN 0.584 nan 8.290 nan 0.000 0.550 549 W N 0.976 122.141 121.300 -0.225 0.000 2.378 549 W HA -0.031 4.633 4.660 0.007 0.000 0.313 549 W C 2.211 178.838 176.519 0.180 0.000 1.197 549 W CA 1.325 58.819 57.345 0.249 0.000 1.304 549 W CB 0.068 29.696 29.460 0.280 0.000 1.148 549 W HN 0.337 nan 8.180 nan 0.000 0.494 550 E N -0.841 119.519 120.200 0.267 0.000 2.106 550 E HA -0.245 4.110 4.350 0.008 0.000 0.192 550 E C 1.921 178.606 176.600 0.140 0.000 0.984 550 E CA 1.552 58.068 56.400 0.194 0.000 0.806 550 E CB -0.400 29.579 29.700 0.466 0.000 0.750 550 E HN 0.241 nan 8.360 nan 0.000 0.458 551 Y N -0.576 119.772 120.300 0.079 0.000 2.314 551 Y HA -0.049 4.506 4.550 0.008 0.000 0.294 551 Y C 2.576 178.448 175.900 -0.047 0.000 1.119 551 Y CA 1.273 59.361 58.100 -0.021 0.000 1.179 551 Y CB 0.156 38.465 38.460 -0.252 0.000 1.025 551 Y HN 0.088 nan 8.280 nan 0.000 0.541 552 S N -2.317 113.507 115.700 0.206 0.000 2.512 552 S HA 0.134 4.609 4.470 0.008 0.000 0.216 552 S C 1.173 175.821 174.600 0.080 0.000 1.006 552 S CA 0.490 58.832 58.200 0.236 0.000 0.915 552 S CB -0.169 63.280 63.200 0.415 0.000 0.824 552 S HN 0.050 nan 8.310 nan 0.000 0.497 553 V N 0.405 120.245 119.914 -0.123 0.000 3.054 553 V HA 0.181 4.306 4.120 0.008 0.000 0.227 553 V C 2.284 178.154 176.094 -0.373 0.000 1.252 553 V CA 0.641 62.725 62.300 -0.360 0.000 1.279 553 V CB -0.162 31.079 31.823 -0.971 0.000 1.118 553 V HN 0.329 nan 8.190 nan 0.000 0.504 554 V N -0.101 119.460 119.914 -0.589 0.000 2.229 554 V HA -0.255 3.870 4.120 0.008 0.000 0.243 554 V C 2.272 178.057 176.094 -0.515 0.000 1.042 554 V CA 2.680 64.660 62.300 -0.534 0.000 1.000 554 V CB -0.833 30.550 31.823 -0.733 0.000 0.637 554 V HN 0.623 nan 8.190 nan 0.000 0.446 555 Y N 2.544 122.398 120.300 -0.745 0.000 2.114 555 Y HA -0.186 4.369 4.550 0.008 0.000 0.282 555 Y C -0.036 175.583 175.900 -0.468 0.000 1.165 555 Y CA 2.353 59.953 58.100 -0.833 0.000 1.148 555 Y CB -1.743 36.137 38.460 -0.967 0.000 0.972 555 Y HN 0.320 nan 8.280 nan 0.000 0.504 556 P HA -0.118 nan 4.420 nan 0.000 0.217 556 P C 1.650 178.760 177.300 -0.317 0.000 1.150 556 P CA 2.549 65.451 63.100 -0.331 0.000 0.832 556 P CB -0.153 31.476 31.700 -0.119 0.000 0.787 557 T N -0.523 113.890 114.554 -0.234 0.000 2.777 557 T HA -0.092 4.263 4.350 0.008 0.000 0.266 557 T C 1.919 176.394 174.700 -0.374 0.000 1.040 557 T CA 1.562 63.522 62.100 -0.232 0.000 1.141 557 T CB -0.899 67.934 68.868 -0.059 0.000 0.868 557 T HN 0.040 nan 8.240 nan 0.000 0.444 558 A N 0.981 123.603 122.820 -0.329 0.000 1.902 558 A HA 0.015 4.340 4.320 0.008 0.000 0.217 558 A C 2.273 179.629 177.584 -0.381 0.000 1.181 558 A CA 1.131 52.952 52.037 -0.359 0.000 0.623 558 A CB -0.757 17.927 19.000 -0.526 0.000 0.818 558 A HN 0.519 nan 8.150 nan 0.000 0.443 559 I N -1.097 119.177 120.570 -0.494 0.000 2.546 559 I HA -0.187 3.987 4.170 0.008 0.000 0.255 559 I C 2.275 178.203 176.117 -0.315 0.000 1.163 559 I CA 1.132 62.177 61.300 -0.424 0.000 1.457 559 I CB -0.069 37.608 38.000 -0.538 0.000 1.092 559 I HN 0.301 nan 8.210 nan 0.000 0.434 560 K N 0.389 120.608 120.400 -0.302 0.000 2.103 560 K HA -0.099 4.226 4.320 0.008 0.000 0.204 560 K C 1.930 178.362 176.600 -0.280 0.000 1.052 560 K CA 1.230 57.361 56.287 -0.261 0.000 0.945 560 K CB 0.044 32.391 32.500 -0.254 0.000 0.722 560 K HN 0.296 nan 8.250 nan 0.000 0.443 561 I N 0.677 121.057 120.570 -0.317 0.000 2.130 561 I HA -0.256 3.919 4.170 0.008 0.000 0.234 561 I C 2.301 178.293 176.117 -0.208 0.000 1.067 561 I CA 0.957 62.081 61.300 -0.292 0.000 1.339 561 I CB -0.252 37.523 38.000 -0.375 0.000 1.073 561 I HN 0.074 nan 8.210 nan 0.000 0.405 562 R N 0.663 121.048 120.500 -0.191 0.000 2.178 562 R HA -0.263 4.081 4.340 0.008 0.000 0.257 562 R C 2.183 178.400 176.300 -0.140 0.000 1.163 562 R CA 1.534 57.551 56.100 -0.138 0.000 0.981 562 R CB -0.675 29.545 30.300 -0.133 0.000 0.878 562 R HN 0.533 nan 8.270 nan 0.000 0.454 563 Q N 0.234 119.919 119.800 -0.191 0.000 2.084 563 Q HA -0.130 4.215 4.340 0.008 0.000 0.202 563 Q C 1.953 177.892 176.000 -0.103 0.000 0.978 563 Q CA 1.201 56.894 55.803 -0.183 0.000 0.844 563 Q CB 0.017 28.619 28.738 -0.228 0.000 0.898 563 Q HN 0.387 nan 8.270 nan 0.000 0.426 564 E N 0.435 120.571 120.200 -0.107 0.000 2.072 564 E HA -0.085 4.269 4.350 0.008 0.000 0.191 564 E C 2.225 178.834 176.600 0.015 0.000 0.985 564 E CA 0.525 56.905 56.400 -0.032 0.000 0.801 564 E CB -0.280 29.398 29.700 -0.038 0.000 0.750 564 E HN 0.384 nan 8.360 nan 0.000 0.452 565 I N 1.118 121.678 120.570 -0.017 0.000 2.208 565 I HA -0.212 3.962 4.170 0.008 0.000 0.245 565 I C 2.472 178.611 176.117 0.037 0.000 1.097 565 I CA 1.465 62.770 61.300 0.008 0.000 1.363 565 I CB -0.519 37.468 38.000 -0.021 0.000 1.051 565 I HN 0.123 nan 8.210 nan 0.000 0.413 566 G N 0.492 109.300 108.800 0.013 0.000 2.408 566 G HA2 -0.164 3.801 3.960 0.008 0.000 0.217 566 G HA3 -0.164 3.801 3.960 0.008 0.000 0.217 566 G C 1.690 176.630 174.900 0.068 0.000 1.150 566 G CA 0.185 45.307 45.100 0.037 0.000 0.776 566 G HN 0.174 nan 8.290 nan 0.000 0.542 567 R N -0.329 120.206 120.500 0.057 0.000 2.299 567 R HA 0.197 4.541 4.340 0.008 0.000 0.197 567 R C 2.086 178.453 176.300 0.110 0.000 0.971 567 R CA 0.039 56.190 56.100 0.085 0.000 1.030 567 R CB -0.513 29.835 30.300 0.081 0.000 0.932 567 R HN 0.421 nan 8.270 nan 0.000 0.477 568 L N 0.274 121.563 121.223 0.110 0.000 2.102 568 L HA 0.192 4.536 4.340 0.008 0.000 0.202 568 L C 0.698 177.640 176.870 0.120 0.000 1.076 568 L CA 1.478 56.394 54.840 0.127 0.000 0.761 568 L CB 0.198 42.333 42.059 0.126 0.000 0.921 568 L HN -0.088 nan 8.230 nan 0.000 0.444 569 I N 0.021 120.664 120.570 0.121 0.000 2.359 569 I HA 0.213 4.388 4.170 0.008 0.000 0.284 569 I C 0.553 176.766 176.117 0.160 0.000 1.018 569 I CA -0.259 61.113 61.300 0.121 0.000 1.173 569 I CB 1.157 39.245 38.000 0.147 0.000 1.326 569 I HN 0.096 nan 8.210 nan 0.000 0.462 570 R N 1.941 122.505 120.500 0.107 0.000 2.195 570 R HA 0.211 4.556 4.340 0.008 0.000 0.197 570 R C 0.513 176.871 176.300 0.097 0.000 0.990 570 R CA 0.343 56.537 56.100 0.157 0.000 1.048 570 R CB 0.207 30.570 30.300 0.105 0.000 0.997 570 R HN 0.433 nan 8.270 nan 0.000 0.502 571 S N -0.337 115.261 115.700 -0.170 0.000 2.713 571 S HA 0.480 4.955 4.470 0.008 0.000 0.283 571 S C 0.768 174.659 174.600 -1.183 0.000 1.161 571 S CA -0.251 57.697 58.200 -0.420 0.000 0.999 571 S CB 1.704 64.774 63.200 -0.216 0.000 1.039 571 S HN 0.308 nan 8.310 nan 0.000 0.548 572 A N 0.106 122.273 122.820 -1.088 0.000 2.169 572 A HA 0.149 4.474 4.320 0.008 0.000 0.212 572 A C 1.152 178.501 177.584 -0.390 0.000 1.153 572 A CA 0.724 52.195 52.037 -0.943 0.000 0.756 572 A CB -0.298 18.533 19.000 -0.282 0.000 0.813 572 A HN 0.720 nan 8.150 nan 0.000 0.471 573 E N -0.331 119.695 120.200 -0.289 0.000 2.526 573 E HA 0.137 4.492 4.350 0.008 0.000 0.208 573 E C -0.393 176.134 176.600 -0.120 0.000 0.997 573 E CA -0.122 56.187 56.400 -0.152 0.000 0.961 573 E CB 0.353 29.992 29.700 -0.101 0.000 1.030 573 E HN 0.593 nan 8.360 nan 0.000 0.483 574 D N -0.244 120.062 120.400 -0.157 0.000 2.264 574 D HA 0.237 4.881 4.640 0.008 0.000 0.249 574 D C -0.434 175.860 176.300 -0.010 0.000 1.070 574 D CA 0.027 53.985 54.000 -0.070 0.000 0.912 574 D CB 1.084 41.846 40.800 -0.064 0.000 1.193 574 D HN -0.129 nan 8.370 nan 0.000 0.427 575 T N 0.815 115.411 114.554 0.071 0.000 2.916 575 T HA 0.830 5.185 4.350 0.008 0.000 0.292 575 T C -0.581 174.283 174.700 0.274 0.000 1.064 575 T CA -0.102 62.102 62.100 0.172 0.000 1.011 575 T CB 1.186 70.151 68.868 0.162 0.000 1.152 575 T HN 0.558 nan 8.240 nan 0.000 0.510 576 G N 0.233 109.262 108.800 0.381 0.000 2.338 576 G HA2 0.645 4.610 3.960 0.008 0.000 0.295 576 G HA3 0.645 4.610 3.960 0.008 0.000 0.295 576 G C -1.649 173.383 174.900 0.219 0.000 1.461 576 G CA -0.029 45.312 45.100 0.401 0.000 0.817 576 G HN 0.990 nan 8.290 nan 0.000 0.556 577 A N -1.510 121.432 122.820 0.204 0.000 2.430 577 A HA 0.887 5.211 4.320 0.008 0.000 0.300 577 A C -0.654 176.978 177.584 0.081 0.000 1.124 577 A CA -0.235 51.805 52.037 0.005 0.000 0.766 577 A CB 1.797 20.768 19.000 -0.048 0.000 1.328 577 A HN 2.330 nan 8.150 nan 0.000 0.424 578 C N 1.845 121.160 119.300 0.026 0.000 2.982 578 C HA 0.584 5.049 4.460 0.008 0.000 0.372 578 C C -0.844 174.131 174.990 -0.026 0.000 1.061 578 C CA -0.204 58.819 59.018 0.009 0.000 1.309 578 C CB -0.530 27.200 27.740 -0.018 0.000 1.766 578 C HN 1.258 nan 8.230 nan 0.000 0.504 579 V N 4.334 124.252 119.914 0.006 0.000 2.716 579 V HA 0.714 4.839 4.120 0.008 0.000 0.304 579 V C -0.117 175.968 176.094 -0.015 0.000 1.053 579 V CA -0.619 61.682 62.300 0.002 0.000 0.984 579 V CB 1.752 33.591 31.823 0.027 0.000 1.021 579 V HN 0.720 nan 8.190 nan 0.000 0.467 580 I N 3.448 124.030 120.570 0.019 0.000 2.410 580 I HA 0.372 4.547 4.170 0.008 0.000 0.286 580 I C -0.607 175.566 176.117 0.093 0.000 1.009 580 I CA -0.471 60.832 61.300 0.005 0.000 1.111 580 I CB 1.909 39.892 38.000 -0.028 0.000 1.262 580 I HN 0.469 nan 8.210 nan 0.000 0.443 581 L N 6.062 127.321 121.223 0.060 0.000 2.375 581 L HA 0.419 4.764 4.340 0.008 0.000 0.276 581 L C -0.549 176.386 176.870 0.109 0.000 1.162 581 L CA 0.256 55.188 54.840 0.154 0.000 0.991 581 L CB -0.275 41.852 42.059 0.113 0.000 1.315 581 L HN 0.585 nan 8.230 nan 0.000 0.431 582 D N 1.682 122.167 120.400 0.142 0.000 2.787 582 D HA 0.018 4.662 4.640 0.008 0.000 0.215 582 D C 0.078 176.469 176.300 0.151 0.000 1.246 582 D CA -0.468 53.595 54.000 0.105 0.000 0.798 582 D CB 2.114 42.932 40.800 0.030 0.000 1.649 582 D HN 0.272 nan 8.370 nan 0.000 0.507 583 K N 1.815 122.285 120.400 0.116 0.000 2.217 583 K HA -0.020 4.304 4.320 0.008 0.000 0.202 583 K C 1.334 178.013 176.600 0.132 0.000 1.051 583 K CA 0.747 57.104 56.287 0.117 0.000 0.952 583 K CB 0.307 32.850 32.500 0.070 0.000 0.736 583 K HN 0.255 nan 8.250 nan 0.000 0.453 584 R N -0.258 120.328 120.500 0.144 0.000 2.586 584 R HA 0.230 4.574 4.340 0.008 0.000 0.306 584 R C 0.724 177.124 176.300 0.167 0.000 1.079 584 R CA 0.391 56.591 56.100 0.167 0.000 1.083 584 R CB 0.381 30.838 30.300 0.262 0.000 1.306 584 R HN 0.043 nan 8.270 nan 0.000 0.567 585 A N 0.720 123.536 122.820 -0.007 0.000 2.169 585 A HA 0.164 4.488 4.320 0.008 0.000 0.212 585 A C 2.090 179.413 177.584 -0.436 0.000 1.153 585 A CA 0.741 52.707 52.037 -0.119 0.000 0.756 585 A CB -0.386 18.507 19.000 -0.178 0.000 0.813 585 A HN 0.487 nan 8.150 nan 0.000 0.471 586 G N -0.139 108.255 108.800 -0.677 0.000 2.442 586 G HA2 -0.289 3.676 3.960 0.008 0.000 0.219 586 G HA3 -0.289 3.676 3.960 0.008 0.000 0.219 586 G C 1.447 176.259 174.900 -0.148 0.000 1.141 586 G CA 1.000 45.771 45.100 -0.549 0.000 0.763 586 G HN 0.634 nan 8.290 nan 0.000 0.554 587 Q N -0.445 119.325 119.800 -0.050 0.000 2.142 587 Q HA -0.197 4.148 4.340 0.008 0.000 0.213 587 Q C 1.764 177.716 176.000 -0.080 0.000 1.004 587 Q CA 1.543 57.294 55.803 -0.086 0.000 0.883 587 Q CB -0.366 28.229 28.738 -0.240 0.000 0.939 587 Q HN 0.617 nan 8.270 nan 0.000 0.413 588 F N 0.022 120.003 119.950 0.052 0.000 2.725 588 F HA 0.094 4.625 4.527 0.008 0.000 0.303 588 F C 1.799 177.673 175.800 0.124 0.000 1.167 588 F CA 0.136 58.233 58.000 0.161 0.000 1.403 588 F CB 0.029 39.015 39.000 -0.024 0.000 1.077 588 F HN -0.041 nan 8.300 nan 0.000 0.537 589 R N 0.879 121.474 120.500 0.157 0.000 2.090 589 R HA -0.111 4.234 4.340 0.008 0.000 0.228 589 R C 2.229 178.555 176.300 0.044 0.000 1.110 589 R CA 1.283 57.439 56.100 0.094 0.000 0.973 589 R CB -0.192 30.145 30.300 0.061 0.000 0.869 589 R HN 0.361 nan 8.270 nan 0.000 0.440 590 K N -0.348 120.026 120.400 -0.043 0.000 2.439 590 K HA -0.032 4.293 4.320 0.008 0.000 0.197 590 K C 1.052 177.444 176.600 -0.347 0.000 1.041 590 K CA 1.131 57.287 56.287 -0.219 0.000 0.970 590 K CB 0.063 32.359 32.500 -0.339 0.000 0.773 590 K HN 0.094 nan 8.250 nan 0.000 0.479 591 F N 1.282 121.239 119.950 0.011 0.000 2.530 591 F HA 0.320 4.851 4.527 0.007 0.000 0.292 591 F C 0.881 176.697 175.800 0.027 0.000 1.109 591 F CA -0.164 57.850 58.000 0.024 0.000 1.450 591 F CB 0.461 39.487 39.000 0.045 0.000 1.114 591 F HN -0.149 nan 8.300 nan 0.000 0.560 592 I N 2.554 123.242 120.570 0.198 0.000 2.595 592 I HA 0.202 4.377 4.170 0.008 0.000 0.275 592 I C -1.873 174.282 176.117 0.063 0.000 1.092 592 I CA -1.586 59.778 61.300 0.106 0.000 1.145 592 I CB 1.479 39.530 38.000 0.086 0.000 1.276 592 I HN -0.210 nan 8.210 nan 0.000 0.497 593 P HA -0.067 nan 4.420 nan 0.000 0.242 593 P C 0.309 177.621 177.300 0.020 0.000 1.197 593 P CA 0.979 64.094 63.100 0.025 0.000 0.765 593 P CB 0.129 31.840 31.700 0.018 0.000 0.936 594 D N -2.176 118.231 120.400 0.013 0.000 2.503 594 D HA 0.056 4.701 4.640 0.008 0.000 0.218 594 D C 0.561 176.836 176.300 -0.041 0.000 1.183 594 D CA -0.454 53.543 54.000 -0.005 0.000 0.827 594 D CB -0.650 40.149 40.800 -0.003 0.000 1.034 594 D HN 0.112 nan 8.370 nan 0.000 0.510 595 M N 1.222 120.809 119.600 -0.021 0.000 2.245 595 M HA 0.166 4.650 4.480 0.008 0.000 0.344 595 M C -0.379 175.908 176.300 -0.021 0.000 1.170 595 M CA 0.281 55.559 55.300 -0.037 0.000 1.135 595 M CB 0.806 33.435 32.600 0.048 0.000 1.574 595 M HN -0.249 nan 8.290 nan 0.000 0.452 596 K N 2.879 123.211 120.400 -0.114 0.000 2.354 596 K HA 0.569 4.893 4.320 0.008 0.000 0.238 596 K C -1.204 175.323 176.600 -0.121 0.000 1.068 596 K CA -0.990 55.237 56.287 -0.100 0.000 0.925 596 K CB 1.335 33.727 32.500 -0.180 0.000 1.286 596 K HN 0.524 nan 8.250 nan 0.000 0.500 597 K N 0.446 120.722 120.400 -0.207 0.000 2.375 597 K HA 0.431 4.756 4.320 0.008 0.000 0.249 597 K C -1.480 174.976 176.600 -0.239 0.000 0.942 597 K CA -0.455 55.535 56.287 -0.495 0.000 0.806 597 K CB 1.992 34.156 32.500 -0.559 0.000 1.227 597 K HN 0.617 nan 8.250 nan 0.000 0.430 598 T N 0.574 115.009 114.554 -0.199 0.000 2.909 598 T HA 0.170 4.525 4.350 0.008 0.000 0.299 598 T C 0.475 175.245 174.700 0.116 0.000 1.073 598 T CA -0.761 61.340 62.100 0.002 0.000 0.999 598 T CB 1.666 70.579 68.868 0.074 0.000 1.098 598 T HN 0.655 nan 8.240 nan 0.000 0.477 599 S N -0.206 115.574 115.700 0.133 0.000 2.514 599 S HA 0.197 4.672 4.470 0.008 0.000 0.223 599 S C -0.071 174.667 174.600 0.229 0.000 1.046 599 S CA -0.080 58.257 58.200 0.228 0.000 0.914 599 S CB 0.002 63.268 63.200 0.110 0.000 0.807 599 S HN 0.560 nan 8.310 nan 0.000 0.497 600 D N 2.989 123.449 120.400 0.099 0.000 2.434 600 D HA 0.366 5.011 4.640 0.008 0.000 0.275 600 D C -1.920 174.373 176.300 -0.011 0.000 1.172 600 D CA -1.877 52.136 54.000 0.022 0.000 0.916 600 D CB 1.765 42.581 40.800 0.026 0.000 1.041 600 D HN 0.166 nan 8.370 nan 0.000 0.501 601 P HA -0.152 nan 4.420 nan 0.000 0.217 601 P C 1.350 178.633 177.300 -0.028 0.000 1.151 601 P CA 0.673 63.745 63.100 -0.047 0.000 0.828 601 P CB 0.450 32.061 31.700 -0.149 0.000 0.788 602 A N 1.357 124.137 122.820 -0.067 0.000 1.884 602 A HA -0.244 4.080 4.320 0.008 0.000 0.219 602 A C 2.516 180.113 177.584 0.023 0.000 1.197 602 A CA 3.275 55.294 52.037 -0.029 0.000 0.637 602 A CB -1.705 17.258 19.000 -0.062 0.000 0.827 602 A HN 0.412 nan 8.150 nan 0.000 0.450 603 S N -0.280 115.427 115.700 0.010 0.000 2.371 603 S HA -0.147 4.328 4.470 0.008 0.000 0.224 603 S C 1.503 176.151 174.600 0.081 0.000 1.029 603 S CA 1.290 59.520 58.200 0.050 0.000 0.978 603 S CB -0.549 62.664 63.200 0.021 0.000 0.833 603 S HN 0.502 nan 8.310 nan 0.000 0.466 604 D N 1.809 122.225 120.400 0.025 0.000 2.144 604 D HA 0.055 4.700 4.640 0.008 0.000 0.199 604 D C 1.857 178.026 176.300 -0.217 0.000 0.984 604 D CA 0.858 54.834 54.000 -0.039 0.000 0.834 604 D CB -0.351 40.464 40.800 0.026 0.000 0.955 604 D HN 0.436 nan 8.370 nan 0.000 0.465 605 I N -0.192 120.270 120.570 -0.180 0.000 2.252 605 I HA -0.276 3.899 4.170 0.008 0.000 0.245 605 I C 2.250 178.413 176.117 0.077 0.000 1.102 605 I CA 0.761 61.929 61.300 -0.220 0.000 1.385 605 I CB -0.214 37.793 38.000 0.011 0.000 1.064 605 I HN 0.003 nan 8.210 nan 0.000 0.414 606 Y N 2.372 122.706 120.300 0.056 0.000 2.145 606 Y HA -0.282 4.277 4.550 0.015 0.000 0.286 606 Y C 2.326 178.258 175.900 0.053 0.000 1.145 606 Y CA 1.837 60.004 58.100 0.110 0.000 1.148 606 Y CB -0.310 38.178 38.460 0.047 0.000 0.981 606 Y HN 0.176 nan 8.280 nan 0.000 0.507 607 N N -0.119 118.627 118.700 0.078 0.000 2.223 607 N HA -0.208 4.537 4.740 0.008 0.000 0.185 607 N C 1.650 177.089 175.510 -0.119 0.000 1.016 607 N CA 1.513 54.544 53.050 -0.031 0.000 0.863 607 N CB -0.928 37.575 38.487 0.027 0.000 0.983 607 N HN 0.505 nan 8.380 nan 0.000 0.429 608 F N 0.366 120.114 119.950 -0.337 0.000 2.102 608 F HA -0.037 4.493 4.527 0.006 0.000 0.298 608 F C 1.825 177.403 175.800 -0.369 0.000 1.105 608 F CA 1.233 58.964 58.000 -0.448 0.000 1.239 608 F CB -0.515 37.983 39.000 -0.836 0.000 0.991 608 F HN -0.058 nan 8.300 nan 0.000 0.474 609 F N 0.239 119.988 119.950 -0.335 0.000 2.293 609 F HA -0.132 4.398 4.527 0.006 0.000 0.300 609 F C 2.313 177.855 175.800 -0.431 0.000 1.086 609 F CA 0.825 58.576 58.000 -0.414 0.000 1.375 609 F CB -0.350 38.531 39.000 -0.200 0.000 1.045 609 F HN -0.027 nan 8.300 nan 0.000 0.516 610 I N -0.876 119.525 120.570 -0.281 0.000 2.226 610 I HA -0.296 3.879 4.170 0.008 0.000 0.245 610 I C 2.313 178.292 176.117 -0.230 0.000 1.100 610 I CA 1.219 62.352 61.300 -0.279 0.000 1.374 610 I CB -0.531 37.286 38.000 -0.305 0.000 1.057 610 I HN 0.015 nan 8.210 nan 0.000 0.413 611 S N 0.815 116.354 115.700 -0.269 0.000 2.399 611 S HA -0.129 4.346 4.470 0.008 0.000 0.231 611 S C 2.200 176.625 174.600 -0.292 0.000 1.022 611 S CA 1.224 59.276 58.200 -0.247 0.000 0.983 611 S CB -0.270 62.790 63.200 -0.234 0.000 0.803 611 S HN 0.538 nan 8.310 nan 0.000 0.480 612 A N 1.511 124.067 122.820 -0.440 0.000 1.855 612 A HA -0.167 4.157 4.320 0.008 0.000 0.215 612 A C 2.120 179.593 177.584 -0.185 0.000 1.191 612 A CA 1.856 53.675 52.037 -0.363 0.000 0.613 612 A CB -0.957 17.768 19.000 -0.457 0.000 0.829 612 A HN 0.434 nan 8.150 nan 0.000 0.442 613 Q N -0.022 119.687 119.800 -0.152 0.000 2.096 613 Q HA -0.210 4.135 4.340 0.008 0.000 0.208 613 Q C 1.983 177.925 176.000 -0.096 0.000 0.993 613 Q CA 2.782 58.520 55.803 -0.107 0.000 0.862 613 Q CB -0.723 27.949 28.738 -0.110 0.000 0.915 613 Q HN 0.615 nan 8.270 nan 0.000 0.416 614 A N 0.082 122.839 122.820 -0.106 0.000 1.935 614 A HA -0.298 4.027 4.320 0.008 0.000 0.224 614 A C 1.159 178.702 177.584 -0.068 0.000 1.324 614 A CA 2.159 54.147 52.037 -0.083 0.000 0.686 614 A CB -0.567 18.381 19.000 -0.086 0.000 0.837 614 A HN 0.421 nan 8.150 nan 0.000 0.481 615 R N 0.000 120.456 120.500 -0.074 0.000 2.786 615 R HA 0.000 4.345 4.340 0.008 0.000 0.208 615 R CA 0.000 56.065 56.100 -0.058 0.000 0.921 615 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 615 R HN 0.000 nan 8.270 nan 0.000 0.535