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 4rub_1_C DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK EYKLTYYTPE YQTKDTDILA AFRVTPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTSLD RYKGRCYRIE RVVGEKDQYI AYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPPAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE EMIKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT SLAHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE IHFRVLAKAL RMSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDFVEQDR DATA SEQUENCE SRGIYFTQDW VSLPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV KARNEGRDLA QEGNEIIREA cKWSPELAAA DATA SEQUENCE cEVWKEIVFN FAAVD 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.614 177.584 0.051 0.000 1.274 9 A CA 0.000 52.074 52.037 0.062 0.000 0.836 9 A CB 0.000 19.040 19.000 0.067 0.000 0.831 10 S N -1.982 113.751 115.700 0.055 0.000 3.054 10 S HA 0.380 4.850 4.470 -0.000 0.000 0.850 10 S C -0.193 174.439 174.600 0.053 0.000 0.982 10 S CA 0.178 58.404 58.200 0.044 0.000 1.324 10 S CB -2.067 61.151 63.200 0.030 0.000 0.940 10 S HN 2.669 nan 8.310 nan 0.000 0.242 11 V N 0.861 120.803 119.914 0.046 0.000 3.411 11 V HA 0.102 4.222 4.120 -0.000 0.000 0.484 11 V C 1.519 177.658 176.094 0.074 0.000 0.682 11 V CA 0.751 63.080 62.300 0.048 0.000 2.023 11 V CB -1.678 30.170 31.823 0.042 0.000 2.468 11 V HN 2.346 nan 8.190 nan 0.000 0.502 12 G N 4.636 113.474 108.800 0.064 0.000 2.464 12 G HA2 0.290 4.250 3.960 -0.000 0.000 0.231 12 G HA3 0.290 4.250 3.960 -0.000 0.000 0.231 12 G C -0.365 174.616 174.900 0.134 0.000 1.267 12 G CA 0.092 45.244 45.100 0.085 0.000 0.863 12 G HN 1.546 nan 8.290 nan 0.000 0.559 13 F N 2.014 121.990 119.950 0.044 0.000 2.502 13 F HA 0.369 4.896 4.527 -0.000 0.000 0.371 13 F C 0.503 176.325 175.800 0.037 0.000 1.083 13 F CA -0.775 57.264 58.000 0.065 0.000 1.174 13 F CB 0.670 39.732 39.000 0.103 0.000 1.096 13 F HN 0.271 nan 8.300 nan 0.000 0.545 14 K N 6.559 126.786 120.400 -0.288 0.000 2.575 14 K HA 0.597 4.917 4.320 -0.000 0.000 0.236 14 K C -0.543 175.779 176.600 -0.464 0.000 0.976 14 K CA -0.687 55.352 56.287 -0.413 0.000 0.985 14 K CB 0.881 33.282 32.500 -0.165 0.000 1.198 14 K HN 0.840 nan 8.250 nan 0.000 0.464 15 A N 2.334 124.678 122.820 -0.793 0.000 2.555 15 A HA 0.451 4.771 4.320 -0.000 0.000 0.233 15 A C 0.564 178.059 177.584 -0.149 0.000 1.060 15 A CA 1.152 52.946 52.037 -0.405 0.000 0.759 15 A CB -0.147 18.639 19.000 -0.358 0.000 0.995 15 A HN 1.002 nan 8.150 nan 0.000 0.506 16 G N -0.458 108.308 108.800 -0.056 0.000 2.406 16 G HA2 0.328 4.287 3.960 -0.000 0.000 0.680 16 G HA3 0.328 4.287 3.960 -0.000 0.000 0.680 16 G C -0.670 174.217 174.900 -0.023 0.000 1.338 16 G CA -0.525 44.558 45.100 -0.027 0.000 0.941 16 G HN 1.465 nan 8.290 nan 0.000 0.633 17 V N 0.974 120.902 119.914 0.023 0.000 2.963 17 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 17 V C 0.727 176.824 176.094 0.004 0.000 1.077 17 V CA 0.426 62.750 62.300 0.040 0.000 1.124 17 V CB 1.259 33.165 31.823 0.138 0.000 0.987 17 V HN 0.875 nan 8.190 nan 0.000 0.487 18 K N 1.865 122.250 120.400 -0.024 0.000 2.556 18 K HA 0.530 4.849 4.320 -0.000 0.000 0.274 18 K C -1.334 175.218 176.600 -0.080 0.000 0.966 18 K CA -1.012 55.260 56.287 -0.025 0.000 0.865 18 K CB 2.009 34.513 32.500 0.008 0.000 1.444 18 K HN 0.575 nan 8.250 nan 0.000 0.433 19 E N 0.572 120.745 120.200 -0.046 0.000 2.373 19 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 19 E C 0.188 176.788 176.600 0.001 0.000 1.073 19 E CA -0.069 56.287 56.400 -0.074 0.000 0.894 19 E CB 0.186 29.883 29.700 -0.005 0.000 1.008 19 E HN 0.400 nan 8.360 nan 0.000 0.420 20 Y N 1.469 121.839 120.300 0.116 0.000 2.128 20 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 20 Y C 2.234 178.260 175.900 0.210 0.000 1.154 20 Y CA 1.701 59.899 58.100 0.164 0.000 1.149 20 Y CB -0.499 37.998 38.460 0.062 0.000 0.976 20 Y HN 0.576 nan 8.280 nan 0.000 0.505 21 K N 0.079 120.645 120.400 0.275 0.000 2.117 21 K HA -0.267 4.053 4.320 -0.000 0.000 0.215 21 K C 1.792 178.520 176.600 0.213 0.000 1.053 21 K CA 2.089 58.507 56.287 0.219 0.000 0.935 21 K CB -0.473 32.096 32.500 0.115 0.000 0.719 21 K HN 0.158 nan 8.250 nan 0.000 0.460 22 L N 0.494 121.810 121.223 0.154 0.000 2.189 22 L HA -0.170 4.170 4.340 -0.000 0.000 0.214 22 L C 1.874 178.774 176.870 0.050 0.000 1.097 22 L CA 2.129 57.027 54.840 0.097 0.000 0.764 22 L CB -1.277 40.824 42.059 0.070 0.000 0.900 22 L HN 0.484 nan 8.230 nan 0.000 0.436 23 T N -4.246 110.334 114.554 0.044 0.000 2.980 23 T HA 0.076 4.426 4.350 -0.000 0.000 0.252 23 T C 1.150 175.611 174.700 -0.398 0.000 0.962 23 T CA -0.071 61.874 62.100 -0.258 0.000 0.932 23 T CB 0.049 68.598 68.868 -0.532 0.000 1.188 23 T HN 0.081 nan 8.240 nan 0.000 0.500 24 Y N 0.235 120.587 120.300 0.087 0.000 2.485 24 Y HA 0.443 4.993 4.550 -0.000 0.000 0.260 24 Y C 0.017 175.974 175.900 0.095 0.000 1.173 24 Y CA -1.288 56.840 58.100 0.047 0.000 1.252 24 Y CB 0.244 38.711 38.460 0.011 0.000 1.123 24 Y HN 0.199 nan 8.280 nan 0.000 0.524 25 Y N 0.847 121.196 120.300 0.081 0.000 2.356 25 Y HA 0.514 5.064 4.550 -0.000 0.000 0.334 25 Y C -0.412 175.508 175.900 0.033 0.000 0.958 25 Y CA -1.226 56.904 58.100 0.050 0.000 1.196 25 Y CB 1.104 39.590 38.460 0.043 0.000 1.137 25 Y HN -0.153 nan 8.280 nan 0.000 0.485 26 T N 9.516 123.815 114.554 -0.425 0.000 3.428 26 T HA 0.188 4.538 4.350 -0.000 0.000 0.301 26 T C -2.187 172.373 174.700 -0.234 0.000 1.323 26 T CA -0.872 61.054 62.100 -0.290 0.000 1.647 26 T CB 0.786 69.583 68.868 -0.118 0.000 0.871 26 T HN 0.477 nan 8.240 nan 0.000 0.627 27 P HA 0.012 nan 4.420 nan 0.000 0.237 27 P C 0.775 178.046 177.300 -0.048 0.000 1.178 27 P CA 0.666 63.631 63.100 -0.226 0.000 0.766 27 P CB 0.531 32.046 31.700 -0.307 0.000 0.876 28 E N -0.568 119.602 120.200 -0.051 0.000 2.072 28 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 28 E C 0.634 177.260 176.600 0.043 0.000 0.985 28 E CA 0.331 56.727 56.400 -0.006 0.000 0.801 28 E CB -1.156 28.538 29.700 -0.008 0.000 0.750 28 E HN 0.223 nan 8.360 nan 0.000 0.452 29 Y N 2.461 122.734 120.300 -0.044 0.000 2.969 29 Y HA -0.170 4.380 4.550 -0.000 0.000 0.339 29 Y C -0.030 175.844 175.900 -0.043 0.000 1.272 29 Y CA 0.488 58.561 58.100 -0.044 0.000 1.577 29 Y CB 0.324 38.756 38.460 -0.046 0.000 1.234 29 Y HN -0.003 nan 8.280 nan 0.000 0.590 30 Q N 5.131 124.502 119.800 -0.715 0.000 2.400 30 Q HA 0.159 4.499 4.340 -0.000 0.000 0.255 30 Q C -0.018 175.319 176.000 -1.104 0.000 1.008 30 Q CA -0.429 54.990 55.803 -0.641 0.000 0.841 30 Q CB 0.927 29.419 28.738 -0.411 0.000 1.220 30 Q HN 0.804 nan 8.270 nan 0.000 0.474 31 T N 0.276 114.422 114.554 -0.679 0.000 2.930 31 T HA 0.312 4.662 4.350 -0.000 0.000 0.306 31 T C 0.157 174.695 174.700 -0.269 0.000 1.045 31 T CA -0.437 61.411 62.100 -0.421 0.000 1.134 31 T CB 0.795 69.533 68.868 -0.218 0.000 0.961 31 T HN 0.135 nan 8.240 nan 0.000 0.545 32 K N 1.975 122.296 120.400 -0.131 0.000 2.110 32 K HA 0.327 4.647 4.320 -0.000 0.000 0.263 32 K C 0.975 177.555 176.600 -0.033 0.000 0.975 32 K CA -0.757 55.487 56.287 -0.070 0.000 0.895 32 K CB 0.978 33.470 32.500 -0.013 0.000 1.060 32 K HN 0.522 nan 8.250 nan 0.000 0.448 33 D N 0.503 120.886 120.400 -0.029 0.000 2.221 33 D HA -0.143 4.497 4.640 -0.000 0.000 0.204 33 D C 0.961 177.256 176.300 -0.008 0.000 0.982 33 D CA 1.615 55.606 54.000 -0.015 0.000 0.857 33 D CB 0.065 40.862 40.800 -0.004 0.000 0.934 33 D HN 0.718 nan 8.370 nan 0.000 0.475 34 T N -2.076 112.483 114.554 0.007 0.000 3.122 34 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 34 T C 0.434 175.147 174.700 0.020 0.000 1.067 34 T CA -0.518 61.595 62.100 0.022 0.000 0.966 34 T CB 0.406 69.300 68.868 0.043 0.000 1.002 34 T HN -0.221 nan 8.240 nan 0.000 0.542 35 D N 1.464 121.873 120.400 0.015 0.000 2.341 35 D HA 0.368 5.008 4.640 -0.000 0.000 0.245 35 D C -0.163 176.117 176.300 -0.035 0.000 1.106 35 D CA -0.456 53.565 54.000 0.034 0.000 0.905 35 D CB 1.025 41.852 40.800 0.045 0.000 1.202 35 D HN 0.184 nan 8.370 nan 0.000 0.426 36 I N 1.998 122.566 120.570 -0.002 0.000 2.428 36 I HA 0.179 4.348 4.170 -0.000 0.000 0.289 36 I C -0.067 176.033 176.117 -0.028 0.000 1.019 36 I CA -0.114 61.100 61.300 -0.142 0.000 1.351 36 I CB 0.741 38.529 38.000 -0.353 0.000 1.412 36 I HN 0.080 nan 8.210 nan 0.000 0.513 37 L N 6.012 127.096 121.223 -0.231 0.000 2.341 37 L HA 0.935 5.275 4.340 -0.000 0.000 0.267 37 L C -0.394 176.319 176.870 -0.261 0.000 1.009 37 L CA -0.781 53.952 54.840 -0.178 0.000 0.819 37 L CB 1.782 43.660 42.059 -0.301 0.000 1.323 37 L HN 0.623 nan 8.230 nan 0.000 0.425 38 A N 1.376 124.229 122.820 0.055 0.000 2.422 38 A HA 0.866 5.186 4.320 -0.000 0.000 0.302 38 A C -0.839 176.737 177.584 -0.013 0.000 1.041 38 A CA -0.521 51.470 52.037 -0.078 0.000 0.708 38 A CB 1.783 20.635 19.000 -0.247 0.000 1.257 38 A HN 0.750 nan 8.150 nan 0.000 0.414 39 A N 2.107 124.838 122.820 -0.150 0.000 2.412 39 A HA 0.678 4.998 4.320 -0.000 0.000 0.334 39 A C -0.912 176.395 177.584 -0.462 0.000 1.419 39 A CA -0.268 51.481 52.037 -0.479 0.000 0.930 39 A CB -0.595 17.967 19.000 -0.729 0.000 1.149 39 A HN 0.592 nan 8.150 nan 0.000 0.515 40 F N 1.026 120.849 119.950 -0.210 0.000 2.385 40 F HA 0.456 4.983 4.527 -0.000 0.000 0.336 40 F C 1.160 176.871 175.800 -0.149 0.000 1.100 40 F CA -0.329 57.570 58.000 -0.169 0.000 1.116 40 F CB 1.343 40.255 39.000 -0.147 0.000 1.166 40 F HN 0.573 nan 8.300 nan 0.000 0.511 41 R N 3.632 124.176 120.500 0.072 0.000 2.369 41 R HA 0.489 4.828 4.340 -0.000 0.000 0.310 41 R C -1.448 174.886 176.300 0.057 0.000 1.141 41 R CA -0.289 55.844 56.100 0.055 0.000 1.116 41 R CB 0.706 31.025 30.300 0.031 0.000 1.135 41 R HN 0.638 nan 8.270 nan 0.000 0.529 42 V N 3.719 123.683 119.914 0.083 0.000 2.644 42 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 42 V C -0.617 175.556 176.094 0.132 0.000 1.053 42 V CA 0.147 62.480 62.300 0.055 0.000 0.987 42 V CB 1.970 33.793 31.823 0.000 0.000 1.006 42 V HN 0.809 nan 8.190 nan 0.000 0.472 43 T N 8.337 122.951 114.554 0.100 0.000 3.077 43 T HA 0.418 4.768 4.350 -0.000 0.000 0.359 43 T C -2.725 172.029 174.700 0.091 0.000 1.108 43 T CA -0.649 61.518 62.100 0.111 0.000 1.170 43 T CB 1.406 70.315 68.868 0.069 0.000 1.045 43 T HN 0.612 nan 8.240 nan 0.000 0.505 44 P HA 0.244 nan 4.420 nan 0.000 0.274 44 P C -0.351 176.986 177.300 0.062 0.000 1.264 44 P CA -0.553 62.589 63.100 0.069 0.000 0.795 44 P CB 0.565 32.296 31.700 0.052 0.000 1.064 45 Q N 0.382 120.210 119.800 0.047 0.000 2.257 45 Q HA 0.269 4.609 4.340 -0.000 0.000 0.255 45 Q C -1.758 174.264 176.000 0.036 0.000 0.920 45 Q CA -2.039 53.786 55.803 0.038 0.000 0.927 45 Q CB 0.043 28.801 28.738 0.034 0.000 1.229 45 Q HN 0.170 nan 8.270 nan 0.000 0.433 46 P HA -0.311 nan 4.420 nan 0.000 0.231 46 P C 0.372 177.688 177.300 0.026 0.000 0.982 46 P CA 2.649 65.766 63.100 0.029 0.000 1.072 46 P CB 0.106 31.817 31.700 0.019 0.000 0.706 47 G N -2.455 106.356 108.800 0.019 0.000 3.181 47 G HA2 0.201 4.160 3.960 -0.000 0.000 0.219 47 G HA3 0.201 4.160 3.960 -0.000 0.000 0.219 47 G C -0.112 174.793 174.900 0.008 0.000 1.182 47 G CA -0.038 45.070 45.100 0.013 0.000 0.791 47 G HN 0.226 nan 8.290 nan 0.000 0.537 48 V N 3.098 123.018 119.914 0.010 0.000 2.348 48 V HA 0.268 4.388 4.120 -0.000 0.000 0.270 48 V C -1.818 174.252 176.094 -0.039 0.000 1.037 48 V CA -2.056 60.241 62.300 -0.006 0.000 0.872 48 V CB 1.495 33.324 31.823 0.010 0.000 1.002 48 V HN 0.100 nan 8.190 nan 0.000 0.464 49 P HA 0.163 nan 4.420 nan 0.000 0.268 49 P C -2.178 174.998 177.300 -0.207 0.000 1.204 49 P CA -1.381 61.647 63.100 -0.120 0.000 0.768 49 P CB 0.811 32.450 31.700 -0.102 0.000 0.842 50 P HA -0.190 nan 4.420 nan 0.000 0.215 50 P C 1.318 178.369 177.300 -0.415 0.000 1.157 50 P CA 1.704 64.479 63.100 -0.542 0.000 0.868 50 P CB -0.176 30.823 31.700 -1.168 0.000 0.788 51 E N 0.453 120.377 120.200 -0.461 0.000 2.463 51 E HA -0.197 4.153 4.350 -0.000 0.000 0.201 51 E C 1.629 178.034 176.600 -0.325 0.000 1.045 51 E CA 1.091 57.123 56.400 -0.612 0.000 0.872 51 E CB -0.493 28.502 29.700 -1.174 0.000 0.797 51 E HN 0.308 nan 8.360 nan 0.000 0.538 52 E N 1.233 121.317 120.200 -0.194 0.000 2.057 52 E HA 0.180 4.530 4.350 -0.000 0.000 0.191 52 E C 2.034 178.608 176.600 -0.044 0.000 0.959 52 E CA 1.644 58.015 56.400 -0.047 0.000 0.828 52 E CB -0.528 29.172 29.700 0.000 0.000 0.800 52 E HN 0.107 nan 8.360 nan 0.000 0.460 53 A N 0.858 123.628 122.820 -0.083 0.000 1.906 53 A HA -0.305 4.014 4.320 -0.000 0.000 0.222 53 A C 2.488 179.977 177.584 -0.159 0.000 1.282 53 A CA 2.929 54.904 52.037 -0.103 0.000 0.675 53 A CB -1.971 16.957 19.000 -0.120 0.000 0.838 53 A HN 0.477 nan 8.150 nan 0.000 0.469 54 G N -1.267 107.436 108.800 -0.163 0.000 2.476 54 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 54 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 54 G C 1.714 176.558 174.900 -0.094 0.000 1.164 54 G CA 1.779 46.801 45.100 -0.130 0.000 0.768 54 G HN 1.160 nan 8.290 nan 0.000 0.560 55 A N 0.601 123.404 122.820 -0.029 0.000 2.066 55 A HA 0.487 4.807 4.320 -0.000 0.000 0.218 55 A C 2.698 180.170 177.584 -0.187 0.000 1.157 55 A CA 1.763 53.828 52.037 0.048 0.000 0.670 55 A CB -0.422 18.713 19.000 0.224 0.000 0.804 55 A HN 0.682 nan 8.150 nan 0.000 0.453 56 A N -0.365 122.285 122.820 -0.285 0.000 1.872 56 A HA 0.028 4.348 4.320 -0.000 0.000 0.214 56 A C 2.147 179.223 177.584 -0.846 0.000 1.187 56 A CA 1.595 53.169 52.037 -0.773 0.000 0.614 56 A CB -0.961 17.815 19.000 -0.373 0.000 0.826 56 A HN 0.347 nan 8.150 nan 0.000 0.442 57 V N -0.036 119.504 119.914 -0.623 0.000 2.380 57 V HA -0.289 3.831 4.120 -0.000 0.000 0.251 57 V C 2.954 178.752 176.094 -0.492 0.000 1.063 57 V CA 2.125 64.038 62.300 -0.645 0.000 1.055 57 V CB -1.086 30.291 31.823 -0.742 0.000 0.657 57 V HN 0.620 nan 8.190 nan 0.000 0.455 58 A N -0.818 121.781 122.820 -0.369 0.000 2.021 58 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 58 A C 2.312 179.673 177.584 -0.371 0.000 1.163 58 A CA 1.470 53.362 52.037 -0.240 0.000 0.676 58 A CB -0.400 18.542 19.000 -0.096 0.000 0.818 58 A HN 0.525 nan 8.150 nan 0.000 0.453 59 A N -0.208 122.181 122.820 -0.720 0.000 1.855 59 A HA -0.015 4.305 4.320 -0.000 0.000 0.213 59 A C 1.677 178.859 177.584 -0.670 0.000 1.195 59 A CA 1.093 52.423 52.037 -1.177 0.000 0.610 59 A CB -0.329 17.707 19.000 -1.607 0.000 0.837 59 A HN 0.379 nan 8.150 nan 0.000 0.444 60 E N 0.309 120.108 120.200 -0.668 0.000 2.526 60 E HA 0.018 4.368 4.350 -0.000 0.000 0.198 60 E C 0.690 177.154 176.600 -0.227 0.000 1.091 60 E CA 0.359 56.518 56.400 -0.401 0.000 0.880 60 E CB 0.032 29.400 29.700 -0.554 0.000 0.873 60 E HN 0.395 nan 8.360 nan 0.000 0.527 61 S N -0.745 114.850 115.700 -0.175 0.000 2.603 61 S HA 0.077 4.547 4.470 -0.000 0.000 0.232 61 S C 1.120 175.781 174.600 0.102 0.000 1.016 61 S CA 0.316 58.523 58.200 0.011 0.000 0.976 61 S CB 0.373 63.695 63.200 0.202 0.000 0.921 61 S HN 0.348 nan 8.310 nan 0.000 0.516 62 S N -0.193 115.517 115.700 0.017 0.000 5.058 62 S HA 0.082 4.551 4.470 -0.000 0.000 0.145 62 S C 1.291 175.890 174.600 -0.001 0.000 1.005 62 S CA 0.584 58.814 58.200 0.049 0.000 1.316 62 S CB -0.139 63.157 63.200 0.160 0.000 2.001 62 S HN 0.326 nan 8.310 nan 0.000 0.729 63 T N -0.681 113.887 114.554 0.022 0.000 2.975 63 T HA 0.534 4.884 4.350 -0.000 0.000 0.261 63 T C 0.732 175.447 174.700 0.025 0.000 0.984 63 T CA 0.429 62.556 62.100 0.044 0.000 0.911 63 T CB 0.366 69.324 68.868 0.151 0.000 1.127 63 T HN 0.771 nan 8.240 nan 0.000 0.514 64 G N 0.082 108.835 108.800 -0.077 0.000 2.537 64 G HA2 0.593 4.553 3.960 -0.000 0.000 0.323 64 G HA3 0.593 4.553 3.960 -0.000 0.000 0.323 64 G C -1.000 173.900 174.900 0.000 0.000 1.207 64 G CA -0.396 44.684 45.100 -0.035 0.000 0.976 64 G HN 0.253 nan 8.290 nan 0.000 0.487 65 T N -1.365 113.251 114.554 0.103 0.000 2.676 65 T HA 0.421 4.770 4.350 -0.000 0.000 0.269 65 T C 0.497 175.397 174.700 0.334 0.000 0.952 65 T CA -0.510 61.704 62.100 0.191 0.000 1.040 65 T CB 0.873 69.800 68.868 0.097 0.000 1.352 65 T HN 0.702 nan 8.240 nan 0.000 0.554 66 W N 1.064 122.510 121.300 0.244 0.000 3.077 66 W HA 0.321 4.980 4.660 -0.000 0.000 0.245 66 W C 0.228 176.783 176.519 0.060 0.000 1.316 66 W CA 0.296 57.741 57.345 0.166 0.000 1.537 66 W CB -0.941 28.601 29.460 0.136 0.000 1.131 66 W HN 0.565 nan 8.180 nan 0.000 0.695 67 T N 0.329 114.535 114.554 -0.580 0.000 2.696 67 T HA 0.384 4.734 4.350 -0.000 0.000 0.291 67 T C -0.632 173.902 174.700 -0.277 0.000 1.095 67 T CA -0.247 61.502 62.100 -0.585 0.000 1.026 67 T CB 1.738 69.808 68.868 -1.331 0.000 1.390 67 T HN -0.234 nan 8.240 nan 0.000 0.513 68 T N 1.965 116.445 114.554 -0.123 0.000 2.767 68 T HA 0.587 4.937 4.350 -0.000 0.000 0.288 68 T C -0.283 174.513 174.700 0.160 0.000 0.963 68 T CA -0.446 61.694 62.100 0.067 0.000 1.019 68 T CB 0.541 69.487 68.868 0.129 0.000 0.923 68 T HN 0.711 nan 8.240 nan 0.000 0.468 69 V N 3.384 123.325 119.914 0.045 0.000 2.459 69 V HA 0.485 4.604 4.120 -0.000 0.000 0.295 69 V C 1.264 177.188 176.094 -0.284 0.000 1.029 69 V CA -1.085 61.144 62.300 -0.120 0.000 0.874 69 V CB 1.223 32.915 31.823 -0.217 0.000 0.985 69 V HN 1.035 nan 8.190 nan 0.000 0.438 70 W N 2.976 123.794 121.300 -0.803 0.000 2.374 70 W HA -0.167 4.493 4.660 -0.000 0.000 0.288 70 W C 1.698 178.025 176.519 -0.320 0.000 1.218 70 W CA 2.058 58.931 57.345 -0.787 0.000 1.245 70 W CB -1.992 26.794 29.460 -1.122 0.000 1.126 70 W HN 0.814 nan 8.180 nan 0.000 0.545 71 T N -0.221 113.655 114.554 -1.131 0.000 2.751 71 T HA -0.341 4.009 4.350 -0.000 0.000 0.268 71 T C 1.161 175.635 174.700 -0.377 0.000 1.045 71 T CA 2.107 63.639 62.100 -0.946 0.000 1.142 71 T CB -0.860 67.411 68.868 -0.996 0.000 0.851 71 T HN -0.006 nan 8.240 nan 0.000 0.474 72 D N 1.897 122.155 120.400 -0.238 0.000 2.190 72 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 72 D C 2.239 178.523 176.300 -0.026 0.000 0.992 72 D CA 1.382 55.332 54.000 -0.084 0.000 0.854 72 D CB -0.971 39.816 40.800 -0.021 0.000 0.936 72 D HN 0.654 nan 8.370 nan 0.000 0.462 73 G N -0.389 108.410 108.800 -0.001 0.000 2.848 73 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.208 73 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.208 73 G C 1.394 176.320 174.900 0.043 0.000 1.152 73 G CA -0.046 45.084 45.100 0.050 0.000 0.789 73 G HN 0.152 nan 8.290 nan 0.000 0.531 74 L N -0.201 121.021 121.223 -0.003 0.000 2.209 74 L HA 0.263 4.603 4.340 -0.000 0.000 0.207 74 L C 1.857 178.735 176.870 0.013 0.000 1.094 74 L CA 1.034 55.875 54.840 0.001 0.000 0.790 74 L CB -0.103 41.918 42.059 -0.064 0.000 0.932 74 L HN 0.181 nan 8.230 nan 0.000 0.447 75 T N -2.428 112.134 114.554 0.015 0.000 2.797 75 T HA 0.473 4.823 4.350 -0.000 0.000 0.267 75 T C -0.407 174.341 174.700 0.081 0.000 0.986 75 T CA -0.022 62.120 62.100 0.069 0.000 0.999 75 T CB 1.172 70.088 68.868 0.081 0.000 1.508 75 T HN 0.118 nan 8.240 nan 0.000 0.595 76 S N 1.604 117.376 115.700 0.121 0.000 2.652 76 S HA 0.334 4.804 4.470 -0.000 0.000 0.252 76 S C 1.095 175.726 174.600 0.052 0.000 1.219 76 S CA -0.827 57.405 58.200 0.053 0.000 1.151 76 S CB 0.156 63.355 63.200 -0.001 0.000 1.080 76 S HN 0.600 nan 8.310 nan 0.000 0.481 77 L N 1.987 123.242 121.223 0.053 0.000 2.261 77 L HA -0.106 4.234 4.340 -0.000 0.000 0.216 77 L C 1.733 178.584 176.870 -0.032 0.000 1.114 77 L CA 1.316 56.187 54.840 0.050 0.000 0.777 77 L CB -0.744 41.324 42.059 0.014 0.000 0.910 77 L HN 0.689 nan 8.230 nan 0.000 0.440 78 D N 0.020 120.381 120.400 -0.066 0.000 2.178 78 D HA -0.185 4.454 4.640 -0.000 0.000 0.201 78 D C 2.258 178.484 176.300 -0.123 0.000 0.980 78 D CA 1.055 55.002 54.000 -0.089 0.000 0.842 78 D CB 0.087 40.846 40.800 -0.068 0.000 0.948 78 D HN 0.341 nan 8.370 nan 0.000 0.472 79 R N -0.784 119.589 120.500 -0.211 0.000 2.075 79 R HA -0.080 4.259 4.340 -0.000 0.000 0.226 79 R C 1.856 177.878 176.300 -0.463 0.000 1.114 79 R CA 0.993 56.840 56.100 -0.422 0.000 0.972 79 R CB 0.109 29.898 30.300 -0.852 0.000 0.869 79 R HN 0.217 nan 8.270 nan 0.000 0.437 80 Y N 0.652 120.945 120.300 -0.012 0.000 2.441 80 Y HA 0.088 4.637 4.550 -0.000 0.000 0.288 80 Y C 0.329 176.232 175.900 0.005 0.000 1.118 80 Y CA -0.131 57.964 58.100 -0.008 0.000 1.215 80 Y CB -0.175 38.276 38.460 -0.014 0.000 1.118 80 Y HN -0.096 nan 8.280 nan 0.000 0.547 81 K N 1.528 122.007 120.400 0.132 0.000 2.550 81 K HA 0.162 4.482 4.320 -0.000 0.000 0.280 81 K C 0.554 177.204 176.600 0.084 0.000 0.987 81 K CA 0.470 56.850 56.287 0.155 0.000 1.048 81 K CB 0.274 32.779 32.500 0.009 0.000 0.879 81 K HN 0.182 nan 8.250 nan 0.000 0.491 82 G N 2.390 111.284 108.800 0.156 0.000 2.503 82 G HA2 0.310 4.269 3.960 -0.000 0.000 0.257 82 G HA3 0.310 4.269 3.960 -0.000 0.000 0.257 82 G C -0.780 174.083 174.900 -0.062 0.000 1.214 82 G CA -1.006 44.059 45.100 -0.058 0.000 0.839 82 G HN 0.855 nan 8.290 nan 0.000 0.559 83 R N -0.085 120.268 120.500 -0.244 0.000 2.548 83 R HA 0.400 4.740 4.340 -0.000 0.000 0.280 83 R C -1.567 174.717 176.300 -0.026 0.000 1.061 83 R CA -0.776 55.240 56.100 -0.140 0.000 0.915 83 R CB 0.796 30.906 30.300 -0.315 0.000 1.210 83 R HN 0.474 nan 8.270 nan 0.000 0.442 84 C N 5.893 125.246 119.300 0.087 0.000 2.383 84 C HA 0.305 4.765 4.460 -0.000 0.000 0.350 84 C C 0.511 175.613 174.990 0.186 0.000 1.173 84 C CA -0.575 58.554 59.018 0.185 0.000 1.645 84 C CB -1.599 26.277 27.740 0.228 0.000 2.221 84 C HN 0.890 nan 8.230 nan 0.000 0.528 85 Y N 4.930 125.270 120.300 0.065 0.000 2.524 85 Y HA 0.428 4.978 4.550 -0.000 0.000 0.266 85 Y C 0.536 176.471 175.900 0.058 0.000 1.180 85 Y CA -0.814 57.304 58.100 0.030 0.000 1.244 85 Y CB -0.463 38.081 38.460 0.139 0.000 1.125 85 Y HN 0.724 nan 8.280 nan 0.000 0.524 86 R N -0.395 119.995 120.500 -0.183 0.000 5.084 86 R HA 0.309 4.649 4.340 -0.000 0.000 0.244 86 R C -2.205 174.096 176.300 0.001 0.000 0.947 86 R CA -0.624 55.395 56.100 -0.136 0.000 1.334 86 R CB -0.426 29.660 30.300 -0.356 0.000 1.209 86 R HN 0.220 nan 8.270 nan 0.000 0.675 87 I N 1.145 121.761 120.570 0.077 0.000 2.910 87 I HA 0.581 4.751 4.170 -0.000 0.000 0.310 87 I C -0.214 175.987 176.117 0.139 0.000 1.043 87 I CA -1.070 60.302 61.300 0.120 0.000 1.053 87 I CB 2.277 40.272 38.000 -0.009 0.000 1.242 87 I HN 0.653 nan 8.210 nan 0.000 0.452 88 E N 1.901 122.241 120.200 0.233 0.000 2.372 88 E HA 0.405 4.755 4.350 -0.000 0.000 0.279 88 E C -1.335 175.422 176.600 0.262 0.000 0.946 88 E CA -0.921 55.600 56.400 0.202 0.000 0.769 88 E CB 3.109 32.923 29.700 0.190 0.000 1.230 88 E HN 0.433 nan 8.360 nan 0.000 0.442 89 R N 0.704 121.298 120.500 0.157 0.000 2.459 89 R HA 0.363 4.703 4.340 -0.000 0.000 0.281 89 R C -0.573 175.710 176.300 -0.028 0.000 1.050 89 R CA -0.506 55.606 56.100 0.020 0.000 1.055 89 R CB 1.157 31.436 30.300 -0.035 0.000 1.045 89 R HN 0.181 nan 8.270 nan 0.000 0.495 90 V N 4.331 124.164 119.914 -0.134 0.000 2.356 90 V HA 0.028 4.148 4.120 -0.000 0.000 0.258 90 V C 0.330 176.375 176.094 -0.081 0.000 1.065 90 V CA -0.356 61.897 62.300 -0.078 0.000 0.935 90 V CB 1.049 32.822 31.823 -0.083 0.000 1.061 90 V HN 0.488 nan 8.190 nan 0.000 0.484 91 V N 6.824 126.714 119.914 -0.041 0.000 2.493 91 V HA 0.426 4.546 4.120 -0.000 0.000 0.292 91 V C 1.161 177.234 176.094 -0.035 0.000 1.016 91 V CA 1.012 63.291 62.300 -0.035 0.000 1.097 91 V CB 0.165 31.975 31.823 -0.022 0.000 0.947 91 V HN 1.437 nan 8.190 nan 0.000 0.479 92 G N 4.520 113.296 108.800 -0.039 0.000 2.392 92 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.290 92 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.290 92 G C -0.384 174.494 174.900 -0.037 0.000 1.032 92 G CA 0.630 45.711 45.100 -0.032 0.000 1.269 92 G HN 1.344 nan 8.290 nan 0.000 0.511 93 E N -0.729 119.436 120.200 -0.059 0.000 2.422 93 E HA 0.459 4.809 4.350 -0.000 0.000 0.289 93 E C -0.268 176.272 176.600 -0.101 0.000 0.985 93 E CA -0.973 55.386 56.400 -0.069 0.000 0.812 93 E CB 0.683 30.342 29.700 -0.068 0.000 1.226 93 E HN 0.220 nan 8.360 nan 0.000 0.419 94 K N 2.276 122.636 120.400 -0.067 0.000 2.405 94 K HA 0.012 4.332 4.320 -0.000 0.000 0.273 94 K C -0.513 176.032 176.600 -0.091 0.000 1.116 94 K CA 0.382 56.636 56.287 -0.055 0.000 1.155 94 K CB -0.165 32.320 32.500 -0.025 0.000 0.858 94 K HN 0.521 nan 8.250 nan 0.000 0.477 95 D N 2.482 122.818 120.400 -0.107 0.000 3.091 95 D HA -0.256 4.383 4.640 -0.000 0.000 0.201 95 D C -0.654 175.525 176.300 -0.200 0.000 1.248 95 D CA 1.006 54.922 54.000 -0.140 0.000 0.609 95 D CB -0.226 40.600 40.800 0.042 0.000 0.970 95 D HN 0.485 nan 8.370 nan 0.000 0.396 96 Q N 0.808 120.363 119.800 -0.408 0.000 2.340 96 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 96 Q C -1.279 174.397 176.000 -0.539 0.000 1.031 96 Q CA -0.835 54.806 55.803 -0.269 0.000 0.804 96 Q CB 0.991 29.664 28.738 -0.109 0.000 1.286 96 Q HN 0.239 nan 8.270 nan 0.000 0.448 97 Y N 1.630 121.947 120.300 0.028 0.000 2.662 97 Y HA 0.544 5.093 4.550 -0.000 0.000 0.335 97 Y C -0.318 175.618 175.900 0.061 0.000 1.066 97 Y CA -1.250 56.876 58.100 0.043 0.000 1.116 97 Y CB 1.360 39.838 38.460 0.031 0.000 1.308 97 Y HN 0.463 nan 8.280 nan 0.000 0.502 98 I N 2.015 122.765 120.570 0.301 0.000 2.405 98 I HA 0.431 4.601 4.170 -0.000 0.000 0.280 98 I C -0.153 176.125 176.117 0.269 0.000 1.027 98 I CA -0.998 60.433 61.300 0.219 0.000 1.161 98 I CB 0.245 38.395 38.000 0.250 0.000 1.300 98 I HN 0.657 nan 8.210 nan 0.000 0.463 99 A N 6.759 129.694 122.820 0.192 0.000 2.331 99 A HA 0.641 4.960 4.320 -0.000 0.000 0.283 99 A C -1.230 176.505 177.584 0.251 0.000 1.142 99 A CA -0.145 52.015 52.037 0.205 0.000 0.812 99 A CB 0.311 19.370 19.000 0.099 0.000 1.074 99 A HN 0.457 nan 8.150 nan 0.000 0.497 100 Y N 1.184 121.479 120.300 -0.008 0.000 2.335 100 Y HA 0.510 5.060 4.550 -0.000 0.000 0.338 100 Y C 0.036 175.989 175.900 0.089 0.000 0.977 100 Y CA -0.925 57.164 58.100 -0.020 0.000 1.114 100 Y CB 1.830 40.074 38.460 -0.359 0.000 1.182 100 Y HN 0.409 nan 8.280 nan 0.000 0.463 101 V N 2.302 122.481 119.914 0.442 0.000 2.680 101 V HA 0.875 4.995 4.120 -0.000 0.000 0.309 101 V C -0.409 175.790 176.094 0.175 0.000 1.052 101 V CA -1.229 61.236 62.300 0.276 0.000 0.908 101 V CB 1.763 33.644 31.823 0.098 0.000 1.001 101 V HN 0.838 nan 8.190 nan 0.000 0.431 102 A N 3.436 126.212 122.820 -0.074 0.000 2.304 102 A HA 0.839 5.158 4.320 -0.000 0.000 0.314 102 A C -1.505 175.909 177.584 -0.282 0.000 1.187 102 A CA -0.367 51.572 52.037 -0.163 0.000 0.810 102 A CB 0.534 19.358 19.000 -0.293 0.000 1.183 102 A HN 0.707 nan 8.150 nan 0.000 0.487 103 Y N 3.265 123.615 120.300 0.083 0.000 2.335 103 Y HA 0.464 5.014 4.550 -0.000 0.000 0.338 103 Y C -2.175 173.826 175.900 0.168 0.000 0.977 103 Y CA -2.539 55.651 58.100 0.150 0.000 1.114 103 Y CB 1.827 40.484 38.460 0.328 0.000 1.182 103 Y HN 0.495 nan 8.280 nan 0.000 0.463 104 P HA 0.017 nan 4.420 nan 0.000 0.275 104 P C 0.770 178.222 177.300 0.252 0.000 1.228 104 P CA -0.317 62.893 63.100 0.184 0.000 0.786 104 P CB 1.305 33.064 31.700 0.099 0.000 0.927 105 L N 2.890 124.233 121.223 0.200 0.000 1.978 105 L HA -0.259 4.081 4.340 -0.000 0.000 0.218 105 L C 1.509 178.521 176.870 0.237 0.000 1.075 105 L CA 2.163 57.136 54.840 0.222 0.000 0.767 105 L CB -1.531 40.616 42.059 0.147 0.000 0.890 105 L HN 0.318 nan 8.230 nan 0.000 0.434 106 D N -0.883 119.627 120.400 0.183 0.000 2.347 106 D HA -0.235 4.405 4.640 -0.000 0.000 0.208 106 D C 2.014 178.378 176.300 0.106 0.000 0.994 106 D CA 1.140 55.257 54.000 0.196 0.000 0.924 106 D CB -0.219 40.788 40.800 0.345 0.000 0.892 106 D HN 0.395 nan 8.370 nan 0.000 0.471 107 L N -1.277 119.932 121.223 -0.024 0.000 2.558 107 L HA 0.123 4.463 4.340 -0.000 0.000 0.225 107 L C -0.031 176.518 176.870 -0.534 0.000 1.128 107 L CA 0.014 54.649 54.840 -0.342 0.000 0.868 107 L CB 0.065 41.746 42.059 -0.631 0.000 1.006 107 L HN -0.105 nan 8.230 nan 0.000 0.454 108 F N -0.152 119.778 119.950 -0.033 0.000 2.495 108 F HA 0.295 4.822 4.527 -0.000 0.000 0.327 108 F C 0.602 176.469 175.800 0.112 0.000 1.103 108 F CA -1.119 56.867 58.000 -0.022 0.000 0.949 108 F CB 1.280 40.119 39.000 -0.267 0.000 1.142 108 F HN -0.164 nan 8.300 nan 0.000 0.457 109 E N 2.136 122.515 120.200 0.297 0.000 2.344 109 E HA 0.148 4.497 4.350 -0.000 0.000 0.270 109 E C -0.664 176.087 176.600 0.251 0.000 1.021 109 E CA -0.500 56.015 56.400 0.193 0.000 0.887 109 E CB 0.650 30.411 29.700 0.101 0.000 0.997 109 E HN 0.526 nan 8.360 nan 0.000 0.429 110 E N 2.234 122.517 120.200 0.138 0.000 2.408 110 E HA 0.229 4.578 4.350 -0.000 0.000 0.259 110 E C 1.031 177.421 176.600 -0.350 0.000 1.110 110 E CA 1.089 57.463 56.400 -0.044 0.000 0.929 110 E CB 0.537 30.212 29.700 -0.043 0.000 0.971 110 E HN 0.796 nan 8.360 nan 0.000 0.438 111 G N 1.362 109.602 108.800 -0.934 0.000 2.216 111 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.269 111 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.269 111 G C 0.447 174.859 174.900 -0.813 0.000 0.981 111 G CA 0.910 45.249 45.100 -1.268 0.000 0.658 111 G HN 0.450 nan 8.290 nan 0.000 0.539 112 S N -0.359 115.134 115.700 -0.344 0.000 2.505 112 S HA 0.510 4.980 4.470 -0.000 0.000 0.280 112 S C 1.601 176.294 174.600 0.155 0.000 1.197 112 S CA 0.050 58.243 58.200 -0.012 0.000 1.138 112 S CB 0.995 64.215 63.200 0.035 0.000 1.010 112 S HN 0.451 nan 8.310 nan 0.000 0.480 113 V N 4.675 124.661 119.914 0.120 0.000 2.332 113 V HA -0.176 3.943 4.120 -0.000 0.000 0.248 113 V C 2.578 178.529 176.094 -0.238 0.000 1.055 113 V CA 2.574 64.758 62.300 -0.194 0.000 1.038 113 V CB -1.179 30.224 31.823 -0.700 0.000 0.651 113 V HN 0.816 nan 8.190 nan 0.000 0.450 114 T N 0.042 114.526 114.554 -0.117 0.000 2.624 114 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 114 T C 1.867 176.621 174.700 0.090 0.000 1.041 114 T CA 2.097 64.210 62.100 0.022 0.000 1.159 114 T CB -0.564 68.354 68.868 0.084 0.000 0.863 114 T HN 0.605 nan 8.240 nan 0.000 0.434 115 N N 0.635 119.402 118.700 0.112 0.000 2.013 115 N HA -0.137 4.603 4.740 -0.000 0.000 0.195 115 N C 2.146 177.797 175.510 0.234 0.000 1.051 115 N CA 1.705 54.848 53.050 0.155 0.000 0.851 115 N CB -0.312 38.282 38.487 0.179 0.000 1.044 115 N HN 0.365 nan 8.380 nan 0.000 0.422 116 M N -0.046 119.758 119.600 0.340 0.000 2.113 116 M HA -0.245 4.235 4.480 -0.000 0.000 0.255 116 M C 1.808 178.317 176.300 0.348 0.000 1.073 116 M CA 1.873 57.413 55.300 0.400 0.000 1.091 116 M CB -0.311 32.417 32.600 0.213 0.000 1.309 116 M HN 0.118 nan 8.290 nan 0.000 0.407 117 F N 0.541 120.491 119.950 -0.001 0.000 2.216 117 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 117 F C 2.579 178.393 175.800 0.024 0.000 1.085 117 F CA 1.648 59.641 58.000 -0.012 0.000 1.326 117 F CB -1.454 37.540 39.000 -0.011 0.000 1.027 117 F HN 0.229 nan 8.300 nan 0.000 0.497 118 T N -1.073 113.620 114.554 0.233 0.000 2.867 118 T HA -0.128 4.221 4.350 -0.000 0.000 0.268 118 T C 2.290 177.034 174.700 0.072 0.000 1.057 118 T CA 1.532 63.709 62.100 0.129 0.000 1.136 118 T CB -0.199 68.729 68.868 0.099 0.000 0.874 118 T HN 0.146 nan 8.240 nan 0.000 0.466 119 S N 1.052 116.785 115.700 0.056 0.000 2.311 119 S HA 0.130 4.600 4.470 -0.000 0.000 0.209 119 S C 2.028 176.617 174.600 -0.019 0.000 1.029 119 S CA 0.543 58.725 58.200 -0.031 0.000 0.968 119 S CB -0.422 62.679 63.200 -0.165 0.000 0.946 119 S HN 0.340 nan 8.310 nan 0.000 0.450 120 I N 1.251 121.788 120.570 -0.055 0.000 2.315 120 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 120 I C 1.245 177.470 176.117 0.180 0.000 1.125 120 I CA 1.017 62.323 61.300 0.010 0.000 1.392 120 I CB -0.058 37.871 38.000 -0.117 0.000 1.065 120 I HN 0.125 nan 8.210 nan 0.000 0.424 121 V N -0.336 119.612 119.914 0.057 0.000 3.330 121 V HA 0.236 4.356 4.120 -0.000 0.000 0.309 121 V C 1.794 177.888 176.094 -0.001 0.000 1.481 121 V CA 0.585 62.899 62.300 0.025 0.000 1.068 121 V CB 0.407 32.046 31.823 -0.308 0.000 0.935 121 V HN 0.420 nan 8.190 nan 0.000 0.453 122 G N 1.417 110.247 108.800 0.050 0.000 2.639 122 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 122 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 122 G C 1.168 176.120 174.900 0.087 0.000 1.267 122 G CA 1.445 46.580 45.100 0.058 0.000 0.801 122 G HN 0.522 nan 8.290 nan 0.000 0.592 123 N N -0.177 118.598 118.700 0.124 0.000 2.317 123 N HA 0.008 4.747 4.740 -0.000 0.000 0.199 123 N C 2.333 178.019 175.510 0.294 0.000 1.145 123 N CA 0.887 54.055 53.050 0.197 0.000 0.882 123 N CB 0.384 39.005 38.487 0.223 0.000 1.113 123 N HN 0.297 nan 8.380 nan 0.000 0.486 124 V N -0.960 119.057 119.914 0.173 0.000 2.568 124 V HA -0.145 3.974 4.120 -0.000 0.000 0.253 124 V C 1.689 177.900 176.094 0.194 0.000 1.072 124 V CA 1.354 63.649 62.300 -0.008 0.000 1.084 124 V CB -1.261 30.376 31.823 -0.309 0.000 0.676 124 V HN -0.068 nan 8.190 nan 0.000 0.469 125 F N 2.471 122.450 119.950 0.047 0.000 2.546 125 F HA 0.273 4.800 4.527 -0.000 0.000 0.298 125 F C 2.190 178.108 175.800 0.196 0.000 1.120 125 F CA 0.871 58.923 58.000 0.088 0.000 1.456 125 F CB -0.864 38.136 39.000 0.001 0.000 1.088 125 F HN 0.369 nan 8.300 nan 0.000 0.572 126 G N -1.742 107.290 108.800 0.388 0.000 3.575 126 G HA2 0.102 4.062 3.960 -0.000 0.000 0.273 126 G HA3 0.102 4.062 3.960 -0.000 0.000 0.273 126 G C 0.023 175.042 174.900 0.200 0.000 1.053 126 G CA -0.226 45.028 45.100 0.256 0.000 0.803 126 G HN -0.024 nan 8.290 nan 0.000 0.528 127 F N 1.175 121.152 119.950 0.045 0.000 2.602 127 F HA 0.187 4.714 4.527 -0.000 0.000 0.367 127 F C 1.784 177.595 175.800 0.017 0.000 1.126 127 F CA 0.248 58.259 58.000 0.018 0.000 1.321 127 F CB 1.105 40.097 39.000 -0.014 0.000 1.094 127 F HN -0.031 nan 8.300 nan 0.000 0.594 128 K N 2.680 123.017 120.400 -0.105 0.000 2.026 128 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 128 K C 2.053 178.683 176.600 0.049 0.000 1.048 128 K CA 1.317 57.586 56.287 -0.030 0.000 0.929 128 K CB -0.279 32.172 32.500 -0.082 0.000 0.713 128 K HN 0.736 nan 8.250 nan 0.000 0.439 129 A N 0.866 123.748 122.820 0.104 0.000 2.194 129 A HA -0.089 4.230 4.320 -0.000 0.000 0.220 129 A C 0.695 178.342 177.584 0.106 0.000 1.162 129 A CA 1.137 53.245 52.037 0.119 0.000 0.674 129 A CB -0.565 18.544 19.000 0.183 0.000 0.789 129 A HN 0.149 nan 8.150 nan 0.000 0.470 130 L N -2.776 118.516 121.223 0.115 0.000 2.303 130 L HA 0.557 4.896 4.340 -0.000 0.000 0.266 130 L C 1.194 178.102 176.870 0.063 0.000 1.011 130 L CA -0.832 54.051 54.840 0.071 0.000 0.818 130 L CB 1.802 43.888 42.059 0.045 0.000 1.326 130 L HN 0.345 nan 8.230 nan 0.000 0.435 131 R N 0.255 120.784 120.500 0.049 0.000 2.394 131 R HA 0.702 5.042 4.340 -0.000 0.000 0.220 131 R C -0.102 176.212 176.300 0.024 0.000 0.887 131 R CA 0.148 56.265 56.100 0.029 0.000 1.034 131 R CB 0.745 31.057 30.300 0.020 0.000 1.179 131 R HN 0.524 nan 8.270 nan 0.000 0.561 132 A N 0.909 123.773 122.820 0.073 0.000 2.577 132 A HA 0.658 4.977 4.320 -0.000 0.000 0.297 132 A C -2.109 175.577 177.584 0.171 0.000 1.060 132 A CA -0.693 51.454 52.037 0.182 0.000 0.697 132 A CB 1.794 20.880 19.000 0.144 0.000 1.281 132 A HN 0.116 nan 8.150 nan 0.000 0.402 133 L N 1.101 122.463 121.223 0.232 0.000 2.424 133 L HA 1.009 5.349 4.340 -0.000 0.000 0.258 133 L C -0.656 175.986 176.870 -0.379 0.000 0.995 133 L CA -0.273 54.379 54.840 -0.313 0.000 0.821 133 L CB 2.160 43.781 42.059 -0.731 0.000 1.383 133 L HN 1.073 nan 8.230 nan 0.000 0.410 134 R N 3.151 123.509 120.500 -0.236 0.000 2.563 134 R HA 0.618 4.958 4.340 -0.000 0.000 0.262 134 R C -2.343 174.029 176.300 0.120 0.000 1.128 134 R CA -0.669 55.472 56.100 0.068 0.000 0.969 134 R CB 1.232 31.602 30.300 0.117 0.000 1.251 134 R HN 0.676 nan 8.270 nan 0.000 0.442 135 L N 3.422 124.785 121.223 0.234 0.000 2.292 135 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 135 L C 0.234 177.067 176.870 -0.062 0.000 1.065 135 L CA 0.291 55.128 54.840 -0.005 0.000 0.806 135 L CB 1.468 43.523 42.059 -0.006 0.000 1.175 135 L HN 0.843 nan 8.230 nan 0.000 0.431 136 E N 1.954 122.011 120.200 -0.237 0.000 2.244 136 E HA 0.182 4.532 4.350 -0.000 0.000 0.196 136 E C -0.461 175.959 176.600 -0.301 0.000 0.939 136 E CA 0.338 56.552 56.400 -0.311 0.000 0.884 136 E CB 0.508 29.802 29.700 -0.678 0.000 0.850 136 E HN 0.698 nan 8.360 nan 0.000 0.481 137 D N -1.115 119.095 120.400 -0.317 0.000 2.653 137 D HA 0.423 5.063 4.640 -0.000 0.000 0.258 137 D C -1.612 174.695 176.300 0.013 0.000 1.252 137 D CA -0.444 53.510 54.000 -0.077 0.000 0.777 137 D CB 1.289 42.062 40.800 -0.044 0.000 1.339 137 D HN -0.146 nan 8.370 nan 0.000 0.422 138 L N 1.079 122.300 121.223 -0.003 0.000 2.455 138 L HA 0.513 4.853 4.340 -0.000 0.000 0.264 138 L C -0.281 176.379 176.870 -0.349 0.000 0.968 138 L CA -0.807 53.897 54.840 -0.226 0.000 0.827 138 L CB 2.462 44.395 42.059 -0.210 0.000 1.317 138 L HN 0.200 nan 8.230 nan 0.000 0.407 139 R N 3.951 124.032 120.500 -0.699 0.000 2.204 139 R HA 0.432 4.771 4.340 -0.000 0.000 0.341 139 R C -0.925 175.112 176.300 -0.438 0.000 1.035 139 R CA -0.680 55.039 56.100 -0.635 0.000 0.887 139 R CB 0.550 30.295 30.300 -0.925 0.000 1.114 139 R HN 0.446 nan 8.270 nan 0.000 0.473 140 I N 7.218 127.551 120.570 -0.394 0.000 2.337 140 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 140 I C -1.922 174.045 176.117 -0.249 0.000 1.046 140 I CA -3.029 58.092 61.300 -0.299 0.000 1.324 140 I CB 0.721 38.550 38.000 -0.285 0.000 1.409 140 I HN 0.318 nan 8.210 nan 0.000 0.494 141 P HA 0.212 nan 4.420 nan 0.000 0.272 141 P C -2.267 175.020 177.300 -0.022 0.000 1.223 141 P CA -1.474 61.575 63.100 -0.087 0.000 0.784 141 P CB 0.296 31.975 31.700 -0.036 0.000 0.923 142 P HA -0.143 nan 4.420 nan 0.000 0.219 142 P C 1.284 178.633 177.300 0.081 0.000 1.146 142 P CA 1.937 65.059 63.100 0.036 0.000 0.808 142 P CB -0.314 31.411 31.700 0.041 0.000 0.779 143 A N -2.701 120.173 122.820 0.090 0.000 2.209 143 A HA -0.133 4.187 4.320 -0.000 0.000 0.212 143 A C 1.754 179.461 177.584 0.206 0.000 1.158 143 A CA 0.973 53.083 52.037 0.122 0.000 0.742 143 A CB -1.208 17.854 19.000 0.104 0.000 0.790 143 A HN 0.195 nan 8.150 nan 0.000 0.472 144 Y N -1.697 118.639 120.300 0.061 0.000 2.581 144 Y HA 0.160 4.710 4.550 -0.000 0.000 0.271 144 Y C 2.019 178.054 175.900 0.226 0.000 1.100 144 Y CA 0.503 58.680 58.100 0.128 0.000 1.281 144 Y CB 0.253 38.729 38.460 0.027 0.000 1.237 144 Y HN 0.003 nan 8.280 nan 0.000 0.514 145 V N 1.002 120.994 119.914 0.130 0.000 2.295 145 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 145 V C 2.139 178.333 176.094 0.166 0.000 1.049 145 V CA 1.984 64.334 62.300 0.084 0.000 1.024 145 V CB -0.425 31.467 31.823 0.115 0.000 0.648 145 V HN 0.185 nan 8.190 nan 0.000 0.447 146 K N 0.631 121.108 120.400 0.128 0.000 2.442 146 K HA -0.124 4.195 4.320 -0.000 0.000 0.199 146 K C 1.872 178.516 176.600 0.073 0.000 1.044 146 K CA 1.590 57.936 56.287 0.098 0.000 0.941 146 K CB -0.929 31.615 32.500 0.073 0.000 0.759 146 K HN 0.759 nan 8.250 nan 0.000 0.472 147 T N -2.124 112.474 114.554 0.074 0.000 3.219 147 T HA 0.163 4.513 4.350 -0.000 0.000 0.249 147 T C 0.321 174.889 174.700 -0.220 0.000 1.099 147 T CA -0.329 61.704 62.100 -0.112 0.000 0.988 147 T CB -0.276 68.463 68.868 -0.216 0.000 0.999 147 T HN -0.190 nan 8.240 nan 0.000 0.550 148 F N 0.825 120.692 119.950 -0.138 0.000 2.575 148 F HA 0.507 5.034 4.527 -0.000 0.000 0.330 148 F C 1.411 177.174 175.800 -0.062 0.000 1.056 148 F CA -1.536 56.397 58.000 -0.112 0.000 0.964 148 F CB 2.122 41.035 39.000 -0.144 0.000 1.258 148 F HN -0.079 nan 8.300 nan 0.000 0.484 149 Q N 1.439 121.327 119.800 0.148 0.000 2.204 149 Q HA 0.335 4.675 4.340 -0.000 0.000 0.198 149 Q C 0.976 176.999 176.000 0.039 0.000 0.946 149 Q CA 1.019 56.859 55.803 0.061 0.000 0.859 149 Q CB 0.156 28.935 28.738 0.067 0.000 0.946 149 Q HN 0.981 nan 8.270 nan 0.000 0.474 150 G N 0.783 109.623 108.800 0.067 0.000 2.593 150 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.237 150 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.237 150 G C -2.540 172.312 174.900 -0.080 0.000 1.312 150 G CA -0.375 44.700 45.100 -0.041 0.000 0.896 150 G HN 0.363 nan 8.290 nan 0.000 0.574 151 P HA 0.246 nan 4.420 nan 0.000 0.268 151 P C -1.747 175.443 177.300 -0.182 0.000 1.204 151 P CA -0.678 62.338 63.100 -0.142 0.000 0.768 151 P CB 0.437 32.059 31.700 -0.129 0.000 0.842 152 P HA -0.208 nan 4.420 nan 0.000 0.216 152 P C 0.878 177.671 177.300 -0.845 0.000 1.157 152 P CA 2.023 64.826 63.100 -0.496 0.000 0.880 152 P CB -0.014 31.399 31.700 -0.479 0.000 0.791 153 H N -4.190 114.857 119.070 -0.039 0.000 2.602 153 H HA 0.339 4.895 4.556 -0.000 0.000 0.222 153 H C 1.104 176.422 175.328 -0.017 0.000 0.886 153 H CA 0.935 56.968 56.048 -0.024 0.000 1.008 153 H CB 0.113 29.867 29.762 -0.015 0.000 1.380 153 H HN 0.108 nan 8.280 nan 0.000 0.417 154 G N 1.578 110.433 108.800 0.091 0.000 2.716 154 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 154 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 154 G C 0.924 175.875 174.900 0.085 0.000 1.337 154 G CA -0.042 45.089 45.100 0.052 0.000 0.829 154 G HN 0.196 nan 8.290 nan 0.000 0.599 155 I N 0.337 120.945 120.570 0.064 0.000 2.103 155 I HA -0.400 3.770 4.170 -0.000 0.000 0.241 155 I C 2.867 179.031 176.117 0.079 0.000 1.036 155 I CA 2.805 64.147 61.300 0.071 0.000 1.300 155 I CB -0.396 37.638 38.000 0.056 0.000 1.010 155 I HN 0.854 nan 8.210 nan 0.000 0.406 156 Q N 1.032 120.880 119.800 0.080 0.000 1.956 156 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 156 Q C 2.358 178.414 176.000 0.094 0.000 0.998 156 Q CA 3.020 58.880 55.803 0.096 0.000 0.855 156 Q CB -0.228 28.561 28.738 0.086 0.000 0.928 156 Q HN 0.391 nan 8.270 nan 0.000 0.418 157 V N 1.276 121.242 119.914 0.087 0.000 2.392 157 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 157 V C 2.362 178.477 176.094 0.034 0.000 1.059 157 V CA 2.293 64.635 62.300 0.071 0.000 1.051 157 V CB -0.891 30.995 31.823 0.106 0.000 0.658 157 V HN 0.538 nan 8.190 nan 0.000 0.455 158 E N 0.273 120.507 120.200 0.057 0.000 2.051 158 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 158 E C 2.465 179.075 176.600 0.016 0.000 0.991 158 E CA 1.418 57.845 56.400 0.045 0.000 0.799 158 E CB -0.089 29.686 29.700 0.124 0.000 0.748 158 E HN 0.525 nan 8.360 nan 0.000 0.449 159 R N 0.360 120.857 120.500 -0.006 0.000 2.070 159 R HA -0.129 4.211 4.340 -0.000 0.000 0.233 159 R C 2.149 178.334 176.300 -0.192 0.000 1.137 159 R CA 1.534 57.537 56.100 -0.162 0.000 0.945 159 R CB -0.320 29.876 30.300 -0.174 0.000 0.845 159 R HN 0.257 nan 8.270 nan 0.000 0.430 160 D N 0.534 120.943 120.400 0.016 0.000 2.172 160 D HA -0.174 4.465 4.640 -0.000 0.000 0.196 160 D C 1.810 178.138 176.300 0.046 0.000 0.999 160 D CA 1.295 55.366 54.000 0.119 0.000 0.856 160 D CB 0.028 40.902 40.800 0.124 0.000 0.934 160 D HN 0.077 nan 8.370 nan 0.000 0.453 161 K N 0.130 120.527 120.400 -0.004 0.000 2.007 161 K HA 0.042 4.362 4.320 -0.000 0.000 0.206 161 K C 2.307 178.900 176.600 -0.012 0.000 1.047 161 K CA 0.372 56.649 56.287 -0.017 0.000 0.937 161 K CB -0.534 31.930 32.500 -0.059 0.000 0.718 161 K HN 0.261 nan 8.250 nan 0.000 0.438 162 L N 0.696 121.904 121.223 -0.025 0.000 2.478 162 L HA 0.030 4.370 4.340 -0.000 0.000 0.223 162 L C 0.521 177.339 176.870 -0.087 0.000 1.140 162 L CA 0.192 55.017 54.840 -0.027 0.000 0.842 162 L CB -0.606 41.454 42.059 0.002 0.000 0.953 162 L HN 0.438 nan 8.230 nan 0.000 0.452 163 N N 0.927 119.548 118.700 -0.131 0.000 2.776 163 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 163 N C -0.508 174.794 175.510 -0.346 0.000 1.111 163 N CA 0.435 53.412 53.050 -0.123 0.000 0.711 163 N CB -0.341 38.158 38.487 0.020 0.000 1.065 163 N HN 0.401 nan 8.380 nan 0.000 0.556 164 K N 1.174 121.172 120.400 -0.671 0.000 2.358 164 K HA 0.394 4.714 4.320 -0.000 0.000 0.260 164 K C -1.238 174.874 176.600 -0.814 0.000 0.956 164 K CA -0.307 55.644 56.287 -0.559 0.000 0.834 164 K CB 1.043 33.374 32.500 -0.281 0.000 1.102 164 K HN 0.079 nan 8.250 nan 0.000 0.431 165 Y N -0.608 119.700 120.300 0.013 0.000 2.605 165 Y HA 0.426 4.975 4.550 -0.000 0.000 0.343 165 Y C 0.787 176.697 175.900 0.017 0.000 1.036 165 Y CA -1.221 56.890 58.100 0.019 0.000 1.065 165 Y CB 1.950 40.422 38.460 0.019 0.000 1.288 165 Y HN 0.789 nan 8.280 nan 0.000 0.481 166 G N 2.658 111.570 108.800 0.188 0.000 2.296 166 G HA2 0.001 3.961 3.960 -0.000 0.000 0.263 166 G HA3 0.001 3.961 3.960 -0.000 0.000 0.263 166 G C -0.397 174.551 174.900 0.079 0.000 0.887 166 G CA 0.783 45.954 45.100 0.117 0.000 1.318 166 G HN 1.193 nan 8.290 nan 0.000 0.403 167 R N -0.938 119.602 120.500 0.067 0.000 5.082 167 R HA 0.141 4.480 4.340 -0.000 0.000 0.241 167 R C -3.543 172.781 176.300 0.041 0.000 0.927 167 R CA -1.044 55.088 56.100 0.054 0.000 1.151 167 R CB -0.843 29.482 30.300 0.041 0.000 1.325 167 R HN 0.158 nan 8.270 nan 0.000 0.636 168 P HA 0.058 nan 4.420 nan 0.000 0.266 168 P C -0.498 176.807 177.300 0.008 0.000 1.195 168 P CA -0.344 62.776 63.100 0.033 0.000 0.768 168 P CB 0.411 32.144 31.700 0.056 0.000 0.838 169 L N 3.592 124.811 121.223 -0.007 0.000 2.395 169 L HA 0.322 4.662 4.340 -0.000 0.000 0.269 169 L C 0.298 177.164 176.870 -0.007 0.000 1.133 169 L CA 0.017 54.836 54.840 -0.036 0.000 0.812 169 L CB -0.235 41.829 42.059 0.008 0.000 1.125 169 L HN 0.337 nan 8.230 nan 0.000 0.452 170 L N 1.106 122.306 121.223 -0.038 0.000 2.334 170 L HA 0.849 5.189 4.340 -0.000 0.000 0.273 170 L C 0.223 177.116 176.870 0.038 0.000 1.013 170 L CA -0.336 54.528 54.840 0.039 0.000 0.816 170 L CB 2.096 44.181 42.059 0.043 0.000 1.278 170 L HN 0.728 nan 8.230 nan 0.000 0.431 171 G N 0.390 109.223 108.800 0.056 0.000 2.692 171 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 171 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 171 G C -2.189 172.688 174.900 -0.039 0.000 1.423 171 G CA -0.446 44.661 45.100 0.012 0.000 0.843 171 G HN 0.722 nan 8.290 nan 0.000 0.486 172 C N 0.238 119.486 119.300 -0.086 0.000 2.783 172 C HA 0.835 5.295 4.460 -0.000 0.000 0.312 172 C C -0.065 174.859 174.990 -0.111 0.000 1.182 172 C CA -0.360 58.620 59.018 -0.064 0.000 1.432 172 C CB 0.816 28.550 27.740 -0.010 0.000 1.933 172 C HN 0.825 nan 8.230 nan 0.000 0.473 173 T N 7.180 121.690 114.554 -0.073 0.000 2.733 173 T HA 0.378 4.728 4.350 -0.000 0.000 0.294 173 T C 0.342 175.022 174.700 -0.032 0.000 0.956 173 T CA -0.310 61.766 62.100 -0.040 0.000 0.987 173 T CB 0.158 69.035 68.868 0.015 0.000 0.920 173 T HN 0.578 nan 8.240 nan 0.000 0.470 174 I N 3.937 124.469 120.570 -0.064 0.000 2.880 174 I HA 0.091 4.260 4.170 -0.000 0.000 0.296 174 I C 0.838 176.908 176.117 -0.080 0.000 1.220 174 I CA 0.314 61.515 61.300 -0.164 0.000 1.435 174 I CB -0.274 37.393 38.000 -0.555 0.000 1.339 174 I HN 0.511 nan 8.210 nan 0.000 0.583 175 K N 6.150 126.513 120.400 -0.062 0.000 2.443 175 K HA 0.553 4.873 4.320 -0.000 0.000 0.251 175 K C -2.505 174.088 176.600 -0.013 0.000 0.972 175 K CA -1.574 54.711 56.287 -0.003 0.000 0.833 175 K CB 1.517 34.030 32.500 0.021 0.000 1.317 175 K HN 0.279 nan 8.250 nan 0.000 0.441 176 P HA 0.093 nan 4.420 nan 0.000 0.269 176 P C 0.404 177.729 177.300 0.040 0.000 1.215 176 P CA -0.102 63.007 63.100 0.015 0.000 0.780 176 P CB 0.903 32.598 31.700 -0.009 0.000 0.898 177 K N -0.114 120.309 120.400 0.039 0.000 1.988 177 K HA -0.123 4.197 4.320 -0.000 0.000 0.221 177 K C 0.672 177.323 176.600 0.084 0.000 1.053 177 K CA 1.313 57.641 56.287 0.068 0.000 0.959 177 K CB -0.324 32.203 32.500 0.046 0.000 0.728 177 K HN 0.304 nan 8.250 nan 0.000 0.447 178 L N -2.076 119.130 121.223 -0.028 0.000 2.303 178 L HA 0.350 4.690 4.340 -0.000 0.000 0.266 178 L C 1.025 177.559 176.870 -0.560 0.000 1.011 178 L CA 0.602 55.303 54.840 -0.231 0.000 0.818 178 L CB 0.971 42.920 42.059 -0.182 0.000 1.326 178 L HN 0.672 nan 8.230 nan 0.000 0.435 179 G N 0.557 108.625 108.800 -1.219 0.000 2.179 179 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 179 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 179 G C -0.206 174.553 174.900 -0.236 0.000 0.990 179 G CA -0.165 44.465 45.100 -0.783 0.000 0.646 179 G HN 0.405 nan 8.290 nan 0.000 0.517 180 L N 2.396 123.620 121.223 0.002 0.000 2.375 180 L HA 0.750 5.090 4.340 -0.000 0.000 0.271 180 L C 1.162 178.204 176.870 0.286 0.000 1.107 180 L CA -0.142 54.808 54.840 0.183 0.000 0.806 180 L CB 1.390 43.617 42.059 0.281 0.000 1.146 180 L HN 0.626 nan 8.230 nan 0.000 0.447 181 S N 2.584 118.408 115.700 0.207 0.000 2.610 181 S HA 0.552 5.022 4.470 -0.000 0.000 0.273 181 S C 1.236 175.929 174.600 0.154 0.000 1.274 181 S CA -0.188 58.117 58.200 0.175 0.000 1.023 181 S CB 1.199 64.453 63.200 0.090 0.000 0.962 181 S HN 0.871 nan 8.310 nan 0.000 0.523 182 A N 2.318 125.209 122.820 0.120 0.000 1.915 182 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 182 A C 2.157 179.736 177.584 -0.008 0.000 1.198 182 A CA 2.273 54.391 52.037 0.135 0.000 0.647 182 A CB -1.177 17.970 19.000 0.244 0.000 0.825 182 A HN 0.976 nan 8.150 nan 0.000 0.456 183 K N -0.857 119.381 120.400 -0.271 0.000 2.057 183 K HA -0.190 4.129 4.320 -0.000 0.000 0.207 183 K C 1.731 178.202 176.600 -0.214 0.000 1.049 183 K CA 1.595 57.538 56.287 -0.573 0.000 0.931 183 K CB -0.189 31.927 32.500 -0.639 0.000 0.714 183 K HN 0.468 nan 8.250 nan 0.000 0.440 184 N N -0.171 118.497 118.700 -0.054 0.000 2.244 184 N HA -0.164 4.576 4.740 -0.000 0.000 0.183 184 N C 1.483 177.029 175.510 0.061 0.000 1.016 184 N CA 0.939 53.995 53.050 0.009 0.000 0.866 184 N CB -0.297 38.213 38.487 0.038 0.000 0.980 184 N HN 0.267 nan 8.380 nan 0.000 0.430 185 Y N 1.190 121.489 120.300 -0.003 0.000 2.181 185 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 185 Y C 2.390 178.293 175.900 0.005 0.000 1.146 185 Y CA 1.662 59.783 58.100 0.034 0.000 1.164 185 Y CB -0.483 38.025 38.460 0.081 0.000 0.982 185 Y HN 0.063 nan 8.280 nan 0.000 0.515 186 G N -0.589 108.310 108.800 0.164 0.000 2.408 186 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 186 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 186 G C 1.750 176.708 174.900 0.097 0.000 1.150 186 G CA 0.665 45.834 45.100 0.115 0.000 0.776 186 G HN 0.289 nan 8.290 nan 0.000 0.542 187 R N 0.478 121.013 120.500 0.059 0.000 2.075 187 R HA -0.034 4.306 4.340 -0.000 0.000 0.230 187 R C 2.939 179.288 176.300 0.081 0.000 1.140 187 R CA 1.604 57.758 56.100 0.090 0.000 0.928 187 R CB -0.544 29.778 30.300 0.037 0.000 0.834 187 R HN 0.246 nan 8.270 nan 0.000 0.429 188 A N 0.260 123.083 122.820 0.005 0.000 1.958 188 A HA -0.165 4.155 4.320 -0.000 0.000 0.221 188 A C 2.311 179.869 177.584 -0.043 0.000 1.178 188 A CA 1.925 53.933 52.037 -0.047 0.000 0.642 188 A CB -0.669 18.250 19.000 -0.136 0.000 0.816 188 A HN 0.290 nan 8.150 nan 0.000 0.453 189 V N -1.355 118.548 119.914 -0.018 0.000 2.307 189 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 189 V C 2.361 178.490 176.094 0.058 0.000 1.045 189 V CA 2.058 64.368 62.300 0.016 0.000 1.024 189 V CB -0.988 30.825 31.823 -0.018 0.000 0.651 189 V HN 0.774 nan 8.190 nan 0.000 0.449 190 Y N 1.373 121.669 120.300 -0.007 0.000 2.128 190 Y HA -0.217 4.333 4.550 -0.001 0.000 0.284 190 Y C 2.520 178.423 175.900 0.007 0.000 1.154 190 Y CA 1.933 60.038 58.100 0.008 0.000 1.149 190 Y CB -0.458 38.013 38.460 0.018 0.000 0.976 190 Y HN 0.239 nan 8.280 nan 0.000 0.505 191 E N 0.280 120.240 120.200 -0.400 0.000 2.021 191 E HA -0.250 4.100 4.350 -0.000 0.000 0.200 191 E C 2.495 178.942 176.600 -0.255 0.000 1.015 191 E CA 1.785 57.946 56.400 -0.399 0.000 0.824 191 E CB -1.154 28.447 29.700 -0.165 0.000 0.762 191 E HN 0.595 nan 8.360 nan 0.000 0.454 192 C N 0.795 120.015 119.300 -0.134 0.000 2.388 192 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 192 C C 2.799 177.724 174.990 -0.109 0.000 1.210 192 C CA 0.447 59.407 59.018 -0.097 0.000 1.743 192 C CB -1.236 26.474 27.740 -0.049 0.000 2.047 192 C HN 0.330 nan 8.230 nan 0.000 0.458 193 L N 1.819 122.989 121.223 -0.088 0.000 2.013 193 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 193 L C 2.867 179.679 176.870 -0.096 0.000 1.073 193 L CA 2.126 56.930 54.840 -0.061 0.000 0.753 193 L CB -1.037 41.029 42.059 0.012 0.000 0.890 193 L HN 0.455 nan 8.230 nan 0.000 0.432 194 R N -0.911 119.476 120.500 -0.188 0.000 2.127 194 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 194 R C 2.122 178.354 176.300 -0.114 0.000 1.134 194 R CA 1.439 57.446 56.100 -0.155 0.000 0.975 194 R CB -1.458 28.680 30.300 -0.270 0.000 0.865 194 R HN 0.358 nan 8.270 nan 0.000 0.447 195 G N 0.126 108.844 108.800 -0.137 0.000 2.462 195 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.220 195 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.220 195 G C 1.065 175.914 174.900 -0.085 0.000 1.121 195 G CA 0.911 45.947 45.100 -0.107 0.000 0.758 195 G HN 0.687 nan 8.290 nan 0.000 0.559 196 G N -1.854 106.900 108.800 -0.078 0.000 2.200 196 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.145 196 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.145 196 G C -0.099 174.754 174.900 -0.077 0.000 1.021 196 G CA -0.252 44.807 45.100 -0.068 0.000 0.720 196 G HN 0.298 nan 8.290 nan 0.000 0.494 197 L N 1.355 122.531 121.223 -0.077 0.000 2.418 197 L HA 0.541 4.881 4.340 -0.000 0.000 0.265 197 L C 1.189 177.980 176.870 -0.131 0.000 1.143 197 L CA -0.084 54.712 54.840 -0.074 0.000 0.809 197 L CB 0.927 42.960 42.059 -0.043 0.000 1.124 197 L HN 0.082 nan 8.230 nan 0.000 0.456 198 D N 1.272 121.534 120.400 -0.231 0.000 2.183 198 D HA 0.015 4.655 4.640 -0.000 0.000 0.205 198 D C -0.355 175.644 176.300 -0.503 0.000 0.962 198 D CA 1.368 55.072 54.000 -0.494 0.000 0.849 198 D CB 0.335 40.666 40.800 -0.781 0.000 0.978 198 D HN 0.174 nan 8.370 nan 0.000 0.488 199 F N -0.036 119.877 119.950 -0.062 0.000 2.578 199 F HA 0.322 4.849 4.527 -0.000 0.000 0.311 199 F C 0.441 176.095 175.800 -0.243 0.000 1.094 199 F CA -1.190 56.723 58.000 -0.145 0.000 0.923 199 F CB 1.688 40.564 39.000 -0.208 0.000 1.230 199 F HN -0.374 nan 8.300 nan 0.000 0.450 200 T N -0.572 113.962 114.554 -0.033 0.000 2.926 200 T HA 0.877 5.227 4.350 -0.000 0.000 0.289 200 T C -0.882 173.521 174.700 -0.496 0.000 1.054 200 T CA -0.999 61.040 62.100 -0.103 0.000 1.015 200 T CB 2.851 71.817 68.868 0.164 0.000 1.167 200 T HN 0.814 nan 8.240 nan 0.000 0.526 201 K N -0.435 119.670 120.400 -0.493 0.000 2.578 201 K HA 0.539 4.859 4.320 -0.000 0.000 0.287 201 K C -1.962 174.566 176.600 -0.121 0.000 1.010 201 K CA -0.862 55.044 56.287 -0.635 0.000 0.889 201 K CB 1.342 33.492 32.500 -0.584 0.000 1.514 201 K HN 0.383 nan 8.250 nan 0.000 0.424 202 D N 1.124 121.524 120.400 0.001 0.000 2.339 202 D HA 0.144 4.784 4.640 -0.000 0.000 0.245 202 D C -0.761 175.636 176.300 0.162 0.000 1.115 202 D CA 0.197 54.346 54.000 0.248 0.000 0.917 202 D CB 0.867 41.782 40.800 0.191 0.000 1.192 202 D HN 0.385 nan 8.370 nan 0.000 0.428 203 D N 0.979 121.494 120.400 0.192 0.000 2.302 203 D HA -0.047 4.593 4.640 -0.000 0.000 0.248 203 D C 1.361 177.652 176.300 -0.015 0.000 1.094 203 D CA -0.221 53.833 54.000 0.090 0.000 0.897 203 D CB 0.982 41.849 40.800 0.112 0.000 1.200 203 D HN 0.401 nan 8.370 nan 0.000 0.429 204 E N 2.798 122.859 120.200 -0.231 0.000 2.333 204 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 204 E C 0.438 176.924 176.600 -0.190 0.000 1.010 204 E CA 1.106 57.249 56.400 -0.428 0.000 0.841 204 E CB -0.237 28.669 29.700 -1.323 0.000 0.757 204 E HN 0.449 nan 8.360 nan 0.000 0.508 205 N N 0.650 119.306 118.700 -0.074 0.000 2.238 205 N HA 0.036 4.776 4.740 -0.000 0.000 0.222 205 N C -0.427 175.127 175.510 0.074 0.000 1.133 205 N CA -0.319 52.730 53.050 -0.002 0.000 0.854 205 N CB 0.477 38.969 38.487 0.009 0.000 1.041 205 N HN -0.078 nan 8.380 nan 0.000 0.510 206 V N 1.868 121.835 119.914 0.089 0.000 2.339 206 V HA 0.230 4.350 4.120 -0.000 0.000 0.261 206 V C 0.234 176.387 176.094 0.099 0.000 1.058 206 V CA -0.275 62.107 62.300 0.137 0.000 0.897 206 V CB -0.349 31.566 31.823 0.154 0.000 1.052 206 V HN 0.321 nan 8.190 nan 0.000 0.480 207 N N 2.577 121.321 118.700 0.073 0.000 2.994 207 N HA 0.232 4.971 4.740 -0.000 0.000 0.216 207 N C -0.055 175.506 175.510 0.085 0.000 1.166 207 N CA -0.255 52.837 53.050 0.070 0.000 1.155 207 N CB 0.453 38.954 38.487 0.024 0.000 1.489 207 N HN 0.485 nan 8.380 nan 0.000 0.556 208 S N 0.204 115.917 115.700 0.021 0.000 2.720 208 S HA 0.420 4.890 4.470 -0.000 0.000 0.278 208 S C -1.843 172.673 174.600 -0.141 0.000 1.172 208 S CA -0.466 57.740 58.200 0.010 0.000 1.019 208 S CB 0.980 64.315 63.200 0.225 0.000 1.049 208 S HN 0.228 nan 8.310 nan 0.000 0.483 209 Q N 3.451 123.031 119.800 -0.366 0.000 2.605 209 Q HA 0.524 4.864 4.340 -0.000 0.000 0.296 209 Q C -2.135 173.560 176.000 -0.509 0.000 1.056 209 Q CA -1.734 53.786 55.803 -0.471 0.000 0.778 209 Q CB 1.075 29.390 28.738 -0.706 0.000 1.497 209 Q HN 0.266 nan 8.270 nan 0.000 0.443 210 P HA -0.163 nan 4.420 nan 0.000 0.216 210 P C 0.691 177.926 177.300 -0.109 0.000 1.150 210 P CA 1.311 64.336 63.100 -0.126 0.000 0.837 210 P CB 0.014 31.715 31.700 0.002 0.000 0.786 211 F N -1.911 118.053 119.950 0.023 0.000 2.407 211 F HA 0.220 4.747 4.527 -0.000 0.000 0.299 211 F C 0.957 176.773 175.800 0.028 0.000 1.097 211 F CA 0.247 58.264 58.000 0.028 0.000 1.422 211 F CB -0.614 38.408 39.000 0.037 0.000 1.067 211 F HN -0.147 nan 8.300 nan 0.000 0.539 212 M N 0.944 120.298 119.600 -0.410 0.000 2.342 212 M HA 0.317 4.797 4.480 -0.000 0.000 0.260 212 M C -1.731 174.405 176.300 -0.273 0.000 1.023 212 M CA -0.461 54.738 55.300 -0.169 0.000 0.919 212 M CB 1.335 33.971 32.600 0.060 0.000 2.048 212 M HN -0.076 nan 8.290 nan 0.000 0.479 213 R N 4.281 124.679 120.500 -0.171 0.000 2.349 213 R HA 0.266 4.606 4.340 -0.000 0.000 0.299 213 R C 1.110 177.291 176.300 -0.198 0.000 1.027 213 R CA -0.304 55.683 56.100 -0.190 0.000 0.958 213 R CB 1.026 31.191 30.300 -0.224 0.000 1.047 213 R HN 0.965 nan 8.270 nan 0.000 0.468 214 W N 4.883 126.087 121.300 -0.159 0.000 2.305 214 W HA -0.275 4.385 4.660 -0.000 0.000 0.308 214 W C 0.993 177.342 176.519 -0.285 0.000 1.226 214 W CA 1.105 58.330 57.345 -0.200 0.000 1.253 214 W CB -0.447 28.826 29.460 -0.313 0.000 1.146 214 W HN 0.595 nan 8.180 nan 0.000 0.507 215 R N 0.816 120.252 120.500 -1.775 0.000 2.120 215 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 215 R C 1.903 177.941 176.300 -0.437 0.000 1.123 215 R CA 1.955 57.186 56.100 -1.449 0.000 0.975 215 R CB -0.334 28.954 30.300 -1.687 0.000 0.866 215 R HN 0.066 nan 8.270 nan 0.000 0.446 216 D N -0.245 119.980 120.400 -0.291 0.000 2.084 216 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 216 D C 1.861 178.261 176.300 0.166 0.000 0.985 216 D CA 0.917 54.889 54.000 -0.047 0.000 0.826 216 D CB -0.200 40.601 40.800 0.003 0.000 0.978 216 D HN 0.157 nan 8.370 nan 0.000 0.456 217 R N -0.129 120.480 120.500 0.180 0.000 2.091 217 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 217 R C 2.316 178.837 176.300 0.370 0.000 1.136 217 R CA 1.015 57.273 56.100 0.263 0.000 0.959 217 R CB -0.309 30.088 30.300 0.162 0.000 0.856 217 R HN 0.096 nan 8.270 nan 0.000 0.437 218 F N 0.945 120.970 119.950 0.125 0.000 2.126 218 F HA -0.200 4.327 4.527 -0.001 0.000 0.299 218 F C 2.319 178.142 175.800 0.038 0.000 1.096 218 F CA 0.883 58.965 58.000 0.136 0.000 1.255 218 F CB -1.015 38.156 39.000 0.284 0.000 0.997 218 F HN 0.073 nan 8.300 nan 0.000 0.479 219 L N -1.312 120.057 121.223 0.244 0.000 2.017 219 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 219 L C 2.337 179.172 176.870 -0.058 0.000 1.073 219 L CA 1.578 56.432 54.840 0.022 0.000 0.745 219 L CB -0.501 41.498 42.059 -0.101 0.000 0.894 219 L HN -0.038 nan 8.230 nan 0.000 0.432 220 F N -0.847 119.157 119.950 0.090 0.000 2.163 220 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 220 F C 2.623 178.432 175.800 0.015 0.000 1.094 220 F CA 1.283 59.316 58.000 0.054 0.000 1.290 220 F CB -1.157 37.880 39.000 0.061 0.000 1.017 220 F HN 0.159 nan 8.300 nan 0.000 0.483 221 C N 0.139 119.534 119.300 0.159 0.000 2.409 221 C HA -0.107 4.353 4.460 -0.000 0.000 0.284 221 C C 3.049 177.993 174.990 -0.076 0.000 1.354 221 C CA 0.749 59.739 59.018 -0.046 0.000 1.787 221 C CB -1.807 25.744 27.740 -0.315 0.000 1.900 221 C HN 0.501 nan 8.230 nan 0.000 0.520 222 A N 0.345 123.136 122.820 -0.048 0.000 1.898 222 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 222 A C 2.180 179.740 177.584 -0.041 0.000 1.181 222 A CA 1.593 53.545 52.037 -0.141 0.000 0.620 222 A CB -0.596 18.367 19.000 -0.061 0.000 0.819 222 A HN 0.657 nan 8.150 nan 0.000 0.442 223 E N -0.160 120.089 120.200 0.082 0.000 2.049 223 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 223 E C 2.229 178.885 176.600 0.093 0.000 1.007 223 E CA 1.266 57.746 56.400 0.134 0.000 0.809 223 E CB -0.230 29.563 29.700 0.156 0.000 0.749 223 E HN 0.555 nan 8.360 nan 0.000 0.450 224 A N 0.979 123.842 122.820 0.072 0.000 1.855 224 A HA -0.174 4.145 4.320 -0.000 0.000 0.215 224 A C 2.202 179.843 177.584 0.095 0.000 1.191 224 A CA 1.707 53.794 52.037 0.084 0.000 0.613 224 A CB -0.771 18.310 19.000 0.134 0.000 0.829 224 A HN 0.358 nan 8.150 nan 0.000 0.442 225 L N -3.270 117.948 121.223 -0.008 0.000 2.131 225 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 225 L C 2.168 179.041 176.870 0.004 0.000 1.092 225 L CA 1.708 56.534 54.840 -0.023 0.000 0.759 225 L CB -1.383 40.614 42.059 -0.103 0.000 0.903 225 L HN 0.263 nan 8.230 nan 0.000 0.435 226 Y N 0.578 120.918 120.300 0.066 0.000 2.293 226 Y HA -0.095 4.454 4.550 -0.001 0.000 0.291 226 Y C 2.712 178.636 175.900 0.040 0.000 1.137 226 Y CA 1.105 59.230 58.100 0.042 0.000 1.202 226 Y CB -0.582 37.890 38.460 0.020 0.000 0.990 226 Y HN 0.293 nan 8.280 nan 0.000 0.537 227 K N -0.029 120.467 120.400 0.159 0.000 1.973 227 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 227 K C 2.367 179.077 176.600 0.184 0.000 1.045 227 K CA 1.137 57.455 56.287 0.052 0.000 0.937 227 K CB -0.331 32.024 32.500 -0.241 0.000 0.721 227 K HN 0.210 nan 8.250 nan 0.000 0.438 228 A N 1.340 124.358 122.820 0.330 0.000 1.948 228 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 228 A C 2.065 179.752 177.584 0.173 0.000 1.177 228 A CA 1.910 54.140 52.037 0.321 0.000 0.636 228 A CB -0.648 18.497 19.000 0.241 0.000 0.815 228 A HN 0.562 nan 8.150 nan 0.000 0.449 229 Q N -0.843 119.049 119.800 0.155 0.000 2.123 229 Q HA -0.042 4.298 4.340 -0.000 0.000 0.199 229 Q C 2.225 178.289 176.000 0.108 0.000 0.966 229 Q CA 1.187 57.062 55.803 0.119 0.000 0.845 229 Q CB -0.304 28.519 28.738 0.141 0.000 0.907 229 Q HN 0.617 nan 8.270 nan 0.000 0.439 230 A N 1.174 124.067 122.820 0.121 0.000 1.851 230 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 230 A C 1.896 179.527 177.584 0.079 0.000 1.195 230 A CA 1.785 53.875 52.037 0.088 0.000 0.622 230 A CB -0.861 18.184 19.000 0.075 0.000 0.831 230 A HN 0.593 nan 8.150 nan 0.000 0.444 231 E N -0.875 119.387 120.200 0.103 0.000 2.033 231 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 231 E C 2.246 178.892 176.600 0.076 0.000 1.011 231 E CA 2.492 58.954 56.400 0.103 0.000 0.815 231 E CB -0.216 29.582 29.700 0.164 0.000 0.755 231 E HN 0.771 nan 8.360 nan 0.000 0.451 232 T N -3.254 111.343 114.554 0.071 0.000 2.904 232 T HA 0.057 4.407 4.350 -0.000 0.000 0.267 232 T C 1.541 176.263 174.700 0.037 0.000 1.059 232 T CA 1.154 63.280 62.100 0.043 0.000 1.137 232 T CB -0.046 68.837 68.868 0.025 0.000 0.879 232 T HN 0.443 nan 8.240 nan 0.000 0.467 233 G N 0.960 109.787 108.800 0.044 0.000 2.137 233 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.237 233 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.237 233 G C -0.334 174.583 174.900 0.028 0.000 1.002 233 G CA 0.109 45.231 45.100 0.036 0.000 0.702 233 G HN 0.711 nan 8.290 nan 0.000 0.515 234 E N -0.377 119.837 120.200 0.024 0.000 2.246 234 E HA 0.488 4.838 4.350 -0.000 0.000 0.266 234 E C 0.574 177.176 176.600 0.002 0.000 0.880 234 E CA -1.085 55.316 56.400 0.003 0.000 0.762 234 E CB 1.716 31.404 29.700 -0.021 0.000 1.180 234 E HN 0.330 nan 8.360 nan 0.000 0.416 235 I N 3.460 124.031 120.570 0.002 0.000 2.906 235 I HA -0.134 4.036 4.170 -0.000 0.000 0.302 235 I C 0.471 176.578 176.117 -0.016 0.000 1.220 235 I CA 0.791 62.101 61.300 0.017 0.000 1.441 235 I CB -0.086 37.925 38.000 0.020 0.000 1.336 235 I HN 0.244 nan 8.210 nan 0.000 0.565 236 K N 4.423 124.839 120.400 0.025 0.000 2.352 236 K HA 0.848 5.167 4.320 -0.000 0.000 0.240 236 K C -0.194 176.480 176.600 0.124 0.000 1.017 236 K CA -0.799 55.503 56.287 0.025 0.000 0.851 236 K CB 2.111 34.635 32.500 0.041 0.000 1.261 236 K HN 0.789 nan 8.250 nan 0.000 0.451 237 G N -0.085 108.862 108.800 0.246 0.000 2.673 237 G HA2 0.309 4.269 3.960 -0.000 0.000 0.292 237 G HA3 0.309 4.269 3.960 -0.000 0.000 0.292 237 G C -2.009 173.085 174.900 0.323 0.000 1.450 237 G CA -0.380 44.910 45.100 0.317 0.000 0.837 237 G HN 0.576 nan 8.290 nan 0.000 0.505 238 H N 1.529 120.653 119.070 0.090 0.000 2.991 238 H HA 0.302 4.858 4.556 -0.000 0.000 0.304 238 H C -0.676 174.677 175.328 0.042 0.000 1.040 238 H CA -0.595 55.469 56.048 0.027 0.000 1.410 238 H CB 0.600 30.359 29.762 -0.004 0.000 1.529 238 H HN 0.376 nan 8.280 nan 0.000 0.509 239 Y N 4.825 124.807 120.300 -0.530 0.000 2.863 239 Y HA -0.108 4.442 4.550 -0.000 0.000 0.359 239 Y C 0.665 176.342 175.900 -0.372 0.000 1.312 239 Y CA 0.134 57.967 58.100 -0.445 0.000 1.650 239 Y CB -0.521 37.681 38.460 -0.429 0.000 1.201 239 Y HN 0.439 nan 8.280 nan 0.000 0.531 240 L N 4.692 125.849 121.223 -0.109 0.000 2.260 240 L HA 0.243 4.582 4.340 -0.000 0.000 0.289 240 L C 0.700 177.511 176.870 -0.098 0.000 1.057 240 L CA -0.205 54.463 54.840 -0.288 0.000 0.811 240 L CB 0.614 42.192 42.059 -0.801 0.000 1.184 240 L HN 0.637 nan 8.230 nan 0.000 0.429 241 N N 2.131 120.869 118.700 0.063 0.000 2.452 241 N HA 0.171 4.911 4.740 -0.000 0.000 0.266 241 N C 0.509 176.165 175.510 0.243 0.000 1.175 241 N CA -0.065 53.073 53.050 0.147 0.000 0.945 241 N CB 1.090 39.657 38.487 0.134 0.000 1.063 241 N HN 0.775 nan 8.380 nan 0.000 0.472 242 A N 2.861 125.772 122.820 0.152 0.000 2.348 242 A HA 0.108 4.428 4.320 -0.000 0.000 0.224 242 A C 0.521 178.117 177.584 0.020 0.000 1.227 242 A CA -0.120 51.955 52.037 0.063 0.000 0.885 242 A CB 0.188 19.185 19.000 -0.005 0.000 0.933 242 A HN 0.582 nan 8.150 nan 0.000 0.506 243 T N 1.812 116.436 114.554 0.118 0.000 2.853 243 T HA 0.508 4.857 4.350 -0.000 0.000 0.298 243 T C 0.276 174.977 174.700 0.002 0.000 0.978 243 T CA 0.839 63.023 62.100 0.140 0.000 1.152 243 T CB 0.916 69.814 68.868 0.050 0.000 0.914 243 T HN 0.638 nan 8.240 nan 0.000 0.539 244 A N 2.469 125.277 122.820 -0.021 0.000 2.533 244 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 244 A C 1.318 178.867 177.584 -0.059 0.000 1.228 244 A CA -0.265 51.723 52.037 -0.082 0.000 0.689 244 A CB 0.508 19.403 19.000 -0.175 0.000 1.303 244 A HN 0.748 nan 8.150 nan 0.000 0.444 245 G N -0.950 107.809 108.800 -0.068 0.000 2.551 245 G HA2 0.375 4.335 3.960 -0.000 0.000 0.216 245 G HA3 0.375 4.335 3.960 -0.000 0.000 0.216 245 G C 0.568 175.437 174.900 -0.052 0.000 1.137 245 G CA 1.578 46.647 45.100 -0.052 0.000 0.798 245 G HN 1.514 nan 8.290 nan 0.000 0.536 246 T N -3.713 110.800 114.554 -0.069 0.000 2.903 246 T HA 0.302 4.652 4.350 -0.000 0.000 0.299 246 T C 0.965 175.613 174.700 -0.088 0.000 1.093 246 T CA -0.322 61.738 62.100 -0.067 0.000 1.002 246 T CB 1.381 70.210 68.868 -0.065 0.000 1.127 246 T HN -0.051 nan 8.240 nan 0.000 0.488 247 C N 1.085 120.336 119.300 -0.081 0.000 2.413 247 C HA -0.063 4.396 4.460 -0.000 0.000 0.276 247 C C 2.602 177.516 174.990 -0.127 0.000 1.248 247 C CA 0.989 59.945 59.018 -0.103 0.000 1.742 247 C CB -1.359 26.332 27.740 -0.082 0.000 2.017 247 C HN 1.027 nan 8.230 nan 0.000 0.481 248 E N 1.025 121.163 120.200 -0.103 0.000 2.070 248 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 248 E C 2.208 178.716 176.600 -0.153 0.000 1.004 248 E CA 1.208 57.542 56.400 -0.110 0.000 0.805 248 E CB -0.341 29.311 29.700 -0.080 0.000 0.744 248 E HN 0.531 nan 8.360 nan 0.000 0.451 249 E N 0.115 120.220 120.200 -0.158 0.000 2.051 249 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 249 E C 2.041 178.448 176.600 -0.322 0.000 0.991 249 E CA 0.960 57.224 56.400 -0.226 0.000 0.799 249 E CB -0.309 29.262 29.700 -0.215 0.000 0.748 249 E HN 0.329 nan 8.360 nan 0.000 0.449 250 M N 0.151 119.593 119.600 -0.263 0.000 2.080 250 M HA -0.195 4.284 4.480 -0.000 0.000 0.260 250 M C 1.906 178.007 176.300 -0.332 0.000 1.068 250 M CA 1.533 56.663 55.300 -0.283 0.000 1.109 250 M CB -0.028 32.433 32.600 -0.232 0.000 1.342 250 M HN 0.014 nan 8.290 nan 0.000 0.405 251 I N 0.547 120.927 120.570 -0.315 0.000 2.394 251 I HA -0.256 3.913 4.170 -0.000 0.000 0.251 251 I C 2.359 178.233 176.117 -0.405 0.000 1.136 251 I CA 1.326 62.382 61.300 -0.407 0.000 1.425 251 I CB -1.288 36.527 38.000 -0.308 0.000 1.079 251 I HN 0.491 nan 8.210 nan 0.000 0.425 252 K N 1.182 121.391 120.400 -0.318 0.000 2.147 252 K HA -0.176 4.143 4.320 -0.000 0.000 0.205 252 K C 2.171 178.577 176.600 -0.323 0.000 1.049 252 K CA 1.270 57.400 56.287 -0.262 0.000 0.936 252 K CB 0.113 32.477 32.500 -0.226 0.000 0.722 252 K HN 0.248 nan 8.250 nan 0.000 0.446 253 R N -0.358 119.814 120.500 -0.545 0.000 2.080 253 R HA 0.058 4.397 4.340 -0.000 0.000 0.222 253 R C 2.404 178.660 176.300 -0.072 0.000 1.107 253 R CA 0.850 56.547 56.100 -0.672 0.000 0.980 253 R CB -0.205 29.533 30.300 -0.937 0.000 0.879 253 R HN 0.180 nan 8.270 nan 0.000 0.439 254 A N 0.857 123.559 122.820 -0.198 0.000 1.892 254 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 254 A C 2.284 179.854 177.584 -0.023 0.000 1.188 254 A CA 1.685 53.627 52.037 -0.157 0.000 0.631 254 A CB -0.747 17.927 19.000 -0.543 0.000 0.822 254 A HN 0.121 nan 8.150 nan 0.000 0.447 255 V N -1.205 118.620 119.914 -0.148 0.000 2.332 255 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 255 V C 2.274 178.552 176.094 0.307 0.000 1.055 255 V CA 2.196 64.561 62.300 0.107 0.000 1.038 255 V CB -0.938 30.904 31.823 0.032 0.000 0.651 255 V HN 0.605 nan 8.190 nan 0.000 0.450 256 F N 1.448 121.497 119.950 0.166 0.000 2.102 256 F HA -0.152 4.374 4.527 -0.001 0.000 0.298 256 F C 2.334 178.335 175.800 0.335 0.000 1.105 256 F CA 1.192 59.364 58.000 0.286 0.000 1.239 256 F CB -1.018 38.243 39.000 0.435 0.000 0.991 256 F HN 0.097 nan 8.300 nan 0.000 0.474 257 A N 0.871 123.896 122.820 0.343 0.000 1.892 257 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 257 A C 2.482 180.110 177.584 0.073 0.000 1.188 257 A CA 1.927 54.032 52.037 0.114 0.000 0.631 257 A CB -0.919 18.151 19.000 0.117 0.000 0.822 257 A HN 0.339 nan 8.150 nan 0.000 0.447 258 R N 0.152 120.753 120.500 0.168 0.000 2.096 258 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 258 R C 2.118 178.488 176.300 0.116 0.000 1.139 258 R CA 2.289 58.484 56.100 0.159 0.000 0.952 258 R CB -0.790 29.657 30.300 0.245 0.000 0.854 258 R HN 0.793 nan 8.270 nan 0.000 0.436 259 E N 0.140 120.428 120.200 0.147 0.000 2.085 259 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 259 E C 2.088 178.708 176.600 0.032 0.000 0.994 259 E CA 1.275 57.758 56.400 0.140 0.000 0.801 259 E CB -0.130 29.752 29.700 0.303 0.000 0.743 259 E HN 0.375 nan 8.360 nan 0.000 0.453 260 L N -0.679 120.477 121.223 -0.112 0.000 2.465 260 L HA 0.017 4.357 4.340 -0.000 0.000 0.224 260 L C 1.775 178.695 176.870 0.083 0.000 1.145 260 L CA 0.645 55.434 54.840 -0.085 0.000 0.834 260 L CB -0.192 41.697 42.059 -0.285 0.000 0.944 260 L HN 0.525 nan 8.230 nan 0.000 0.451 261 G N 0.079 108.928 108.800 0.081 0.000 2.179 261 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.260 261 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.260 261 G C 0.527 175.522 174.900 0.158 0.000 0.977 261 G CA 0.295 45.470 45.100 0.126 0.000 0.641 261 G HN 0.296 nan 8.290 nan 0.000 0.533 262 V N -1.097 118.879 119.914 0.103 0.000 3.032 262 V HA 0.505 4.625 4.120 -0.000 0.000 0.307 262 V C 0.024 176.138 176.094 0.033 0.000 1.097 262 V CA -0.175 62.136 62.300 0.019 0.000 1.191 262 V CB 1.022 32.796 31.823 -0.082 0.000 0.964 262 V HN 0.168 nan 8.190 nan 0.000 0.494 263 P HA 0.337 nan 4.420 nan 0.000 0.252 263 P C 0.058 177.350 177.300 -0.013 0.000 1.218 263 P CA 0.428 63.544 63.100 0.027 0.000 0.807 263 P CB 0.559 32.299 31.700 0.066 0.000 1.072 264 I N -0.179 120.366 120.570 -0.042 0.000 2.913 264 I HA 0.411 4.581 4.170 -0.000 0.000 0.302 264 I C -1.315 174.728 176.117 -0.123 0.000 1.246 264 I CA -1.315 59.908 61.300 -0.129 0.000 1.010 264 I CB 2.570 40.421 38.000 -0.249 0.000 1.259 264 I HN -0.268 nan 8.210 nan 0.000 0.434 265 V N 3.430 123.254 119.914 -0.149 0.000 3.156 265 V HA 0.734 4.854 4.120 -0.000 0.000 0.311 265 V C -0.920 175.083 176.094 -0.151 0.000 1.208 265 V CA -0.732 61.503 62.300 -0.108 0.000 1.063 265 V CB 1.933 33.737 31.823 -0.032 0.000 1.098 265 V HN 0.930 nan 8.190 nan 0.000 0.452 266 M N 0.868 120.434 119.600 -0.057 0.000 2.618 266 M HA 0.620 5.100 4.480 -0.000 0.000 0.281 266 M C -2.047 174.313 176.300 0.100 0.000 1.267 266 M CA -0.465 54.832 55.300 -0.006 0.000 0.845 266 M CB 2.372 35.003 32.600 0.052 0.000 1.732 266 M HN 1.165 nan 8.290 nan 0.000 0.461 267 H N 1.421 120.471 119.070 -0.033 0.000 3.026 267 H HA 0.255 4.811 4.556 -0.000 0.000 0.352 267 H C -1.652 173.674 175.328 -0.002 0.000 1.090 267 H CA -0.660 55.371 56.048 -0.028 0.000 1.268 267 H CB 1.716 31.451 29.762 -0.046 0.000 1.816 267 H HN 0.704 nan 8.280 nan 0.000 0.518 268 D N 5.966 126.129 120.400 -0.395 0.000 2.455 268 D HA -0.046 4.594 4.640 -0.000 0.000 0.234 268 D C 1.204 177.191 176.300 -0.522 0.000 1.224 268 D CA -0.012 53.808 54.000 -0.301 0.000 0.999 268 D CB -0.097 40.561 40.800 -0.237 0.000 1.072 268 D HN 0.546 nan 8.370 nan 0.000 0.514 269 Y N 1.020 120.997 120.300 -0.539 0.000 2.241 269 Y HA -0.213 4.336 4.550 -0.000 0.000 0.286 269 Y C 1.395 177.018 175.900 -0.461 0.000 1.166 269 Y CA 1.118 58.934 58.100 -0.474 0.000 1.203 269 Y CB -0.600 37.697 38.460 -0.271 0.000 0.977 269 Y HN 0.261 nan 8.280 nan 0.000 0.529 270 L N 0.257 120.979 121.223 -0.835 0.000 2.127 270 L HA -0.065 4.275 4.340 -0.000 0.000 0.203 270 L C 2.669 179.263 176.870 -0.461 0.000 1.080 270 L CA 1.500 55.861 54.840 -0.797 0.000 0.768 270 L CB -0.802 40.807 42.059 -0.749 0.000 0.924 270 L HN 0.423 nan 8.230 nan 0.000 0.444 271 T N -3.314 111.041 114.554 -0.332 0.000 2.995 271 T HA -0.023 4.327 4.350 -0.000 0.000 0.269 271 T C 1.761 176.345 174.700 -0.192 0.000 1.091 271 T CA 0.847 62.818 62.100 -0.216 0.000 1.128 271 T CB -0.368 68.405 68.868 -0.158 0.000 0.891 271 T HN 0.347 nan 8.240 nan 0.000 0.492 272 G N 1.279 109.943 108.800 -0.227 0.000 2.439 272 G HA2 0.475 4.435 3.960 -0.000 0.000 0.212 272 G HA3 0.475 4.435 3.960 -0.000 0.000 0.212 272 G C 0.806 175.653 174.900 -0.088 0.000 1.199 272 G CA 0.223 45.259 45.100 -0.106 0.000 0.807 272 G HN 1.201 nan 8.290 nan 0.000 0.537 273 G N -1.997 106.698 108.800 -0.176 0.000 2.459 273 G HA2 0.062 4.022 3.960 -0.000 0.000 0.685 273 G HA3 0.062 4.022 3.960 -0.000 0.000 0.685 273 G C 0.130 174.936 174.900 -0.157 0.000 1.303 273 G CA -0.148 44.814 45.100 -0.230 0.000 0.907 273 G HN 0.100 nan 8.290 nan 0.000 0.632 274 F N 0.528 120.463 119.950 -0.025 0.000 2.134 274 F HA -0.018 4.508 4.527 -0.000 0.000 0.299 274 F C 3.170 178.954 175.800 -0.026 0.000 1.097 274 F CA 2.360 60.345 58.000 -0.024 0.000 1.264 274 F CB -0.910 38.030 39.000 -0.100 0.000 1.001 274 F HN 0.540 nan 8.300 nan 0.000 0.479 275 T N -0.061 114.576 114.554 0.139 0.000 2.684 275 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 275 T C 2.265 176.970 174.700 0.009 0.000 1.036 275 T CA 1.588 63.720 62.100 0.054 0.000 1.148 275 T CB -0.724 68.165 68.868 0.034 0.000 0.863 275 T HN 0.302 nan 8.240 nan 0.000 0.436 276 A N 1.251 124.082 122.820 0.018 0.000 1.968 276 A HA -0.053 4.266 4.320 -0.000 0.000 0.217 276 A C 2.130 179.683 177.584 -0.051 0.000 1.169 276 A CA 1.707 53.730 52.037 -0.023 0.000 0.638 276 A CB -0.773 18.228 19.000 0.001 0.000 0.812 276 A HN 0.513 nan 8.150 nan 0.000 0.446 277 N N -0.086 118.657 118.700 0.072 0.000 2.039 277 N HA -0.145 4.595 4.740 -0.000 0.000 0.193 277 N C 1.694 177.172 175.510 -0.054 0.000 1.044 277 N CA 2.496 55.601 53.050 0.091 0.000 0.847 277 N CB -0.391 38.237 38.487 0.235 0.000 1.030 277 N HN 0.373 nan 8.380 nan 0.000 0.422 278 T N -0.975 113.541 114.554 -0.063 0.000 2.737 278 T HA -0.132 4.217 4.350 -0.000 0.000 0.269 278 T C 2.064 176.516 174.700 -0.415 0.000 1.040 278 T CA 1.419 63.375 62.100 -0.240 0.000 1.142 278 T CB -0.538 68.195 68.868 -0.225 0.000 0.861 278 T HN 0.140 nan 8.240 nan 0.000 0.456 279 S N 0.931 116.489 115.700 -0.238 0.000 2.356 279 S HA -0.029 4.441 4.470 -0.000 0.000 0.223 279 S C 1.911 176.455 174.600 -0.093 0.000 1.032 279 S CA 0.729 58.833 58.200 -0.161 0.000 1.005 279 S CB -0.461 62.679 63.200 -0.099 0.000 0.867 279 S HN 0.250 nan 8.310 nan 0.000 0.449 280 L N 1.654 122.796 121.223 -0.135 0.000 2.017 280 L HA -0.006 4.333 4.340 -0.000 0.000 0.208 280 L C 2.402 179.262 176.870 -0.017 0.000 1.073 280 L CA 1.908 56.683 54.840 -0.108 0.000 0.745 280 L CB -1.075 40.812 42.059 -0.288 0.000 0.894 280 L HN 0.268 nan 8.230 nan 0.000 0.432 281 A N -1.554 121.224 122.820 -0.070 0.000 1.902 281 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 281 A C 2.162 179.794 177.584 0.080 0.000 1.181 281 A CA 1.918 53.938 52.037 -0.028 0.000 0.623 281 A CB -1.049 17.925 19.000 -0.044 0.000 0.818 281 A HN 0.696 nan 8.150 nan 0.000 0.443 282 H N -3.309 115.745 119.070 -0.026 0.000 2.321 282 H HA -0.185 4.370 4.556 -0.000 0.000 0.300 282 H C 2.074 177.379 175.328 -0.038 0.000 1.087 282 H CA 1.597 57.622 56.048 -0.039 0.000 1.319 282 H CB -0.223 29.522 29.762 -0.027 0.000 1.379 282 H HN 0.659 nan 8.280 nan 0.000 0.501 283 Y N 0.963 121.300 120.300 0.063 0.000 2.151 283 Y HA -0.331 4.218 4.550 -0.000 0.000 0.284 283 Y C 2.525 178.428 175.900 0.005 0.000 1.166 283 Y CA 1.348 59.456 58.100 0.014 0.000 1.163 283 Y CB -0.640 37.807 38.460 -0.021 0.000 0.974 283 Y HN 0.234 nan 8.280 nan 0.000 0.511 284 C N -0.177 119.178 119.300 0.092 0.000 2.453 284 C HA -0.113 4.346 4.460 -0.000 0.000 0.277 284 C C 2.774 177.721 174.990 -0.071 0.000 1.262 284 C CA 1.313 60.349 59.018 0.029 0.000 1.718 284 C CB -1.132 26.639 27.740 0.052 0.000 2.031 284 C HN 0.617 nan 8.230 nan 0.000 0.480 285 R N 1.576 122.011 120.500 -0.108 0.000 2.112 285 R HA -0.168 4.172 4.340 -0.000 0.000 0.242 285 R C 1.570 177.799 176.300 -0.118 0.000 1.137 285 R CA 2.355 58.357 56.100 -0.163 0.000 0.944 285 R CB -0.751 29.462 30.300 -0.145 0.000 0.857 285 R HN 0.448 nan 8.270 nan 0.000 0.435 286 D N -0.584 119.718 120.400 -0.163 0.000 2.312 286 D HA -0.054 4.586 4.640 -0.000 0.000 0.211 286 D C 0.504 176.679 176.300 -0.207 0.000 0.964 286 D CA 0.846 54.741 54.000 -0.176 0.000 0.877 286 D CB -0.028 40.655 40.800 -0.195 0.000 0.924 286 D HN 0.342 nan 8.370 nan 0.000 0.515 287 N N -0.642 117.889 118.700 -0.281 0.000 2.200 287 N HA 0.110 4.850 4.740 -0.000 0.000 0.224 287 N C 0.792 176.256 175.510 -0.077 0.000 1.179 287 N CA 0.305 53.210 53.050 -0.242 0.000 0.877 287 N CB 1.659 39.855 38.487 -0.486 0.000 1.072 287 N HN 0.052 nan 8.380 nan 0.000 0.519 288 G N 1.577 110.381 108.800 0.007 0.000 2.225 288 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 288 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 288 G C -0.087 174.853 174.900 0.067 0.000 1.024 288 G CA 0.335 45.481 45.100 0.077 0.000 0.784 288 G HN 0.241 nan 8.290 nan 0.000 0.507 289 L N -0.823 120.470 121.223 0.116 0.000 2.352 289 L HA 0.717 5.057 4.340 -0.000 0.000 0.269 289 L C 0.872 177.818 176.870 0.127 0.000 1.034 289 L CA -1.157 53.731 54.840 0.080 0.000 0.806 289 L CB 1.388 43.503 42.059 0.094 0.000 1.244 289 L HN 0.038 nan 8.230 nan 0.000 0.447 290 L N 2.501 123.725 121.223 0.002 0.000 2.322 290 L HA 0.482 4.821 4.340 -0.000 0.000 0.279 290 L C -0.708 176.072 176.870 -0.150 0.000 1.036 290 L CA -0.649 54.181 54.840 -0.016 0.000 0.807 290 L CB 1.809 43.784 42.059 -0.140 0.000 1.226 290 L HN 0.347 nan 8.230 nan 0.000 0.433 291 L N 2.349 123.473 121.223 -0.165 0.000 2.313 291 L HA 0.426 4.766 4.340 -0.000 0.000 0.283 291 L C -0.677 175.987 176.870 -0.343 0.000 1.013 291 L CA -0.154 54.559 54.840 -0.211 0.000 0.816 291 L CB 1.221 43.209 42.059 -0.119 0.000 1.236 291 L HN 0.495 nan 8.230 nan 0.000 0.419 292 H N 5.333 124.083 119.070 -0.533 0.000 2.504 292 H HA 0.578 5.134 4.556 -0.000 0.000 0.322 292 H C -0.939 174.248 175.328 -0.234 0.000 1.055 292 H CA -0.706 55.018 56.048 -0.540 0.000 1.231 292 H CB 0.748 29.872 29.762 -1.064 0.000 1.417 292 H HN 0.525 nan 8.280 nan 0.000 0.472 293 I N 5.142 125.374 120.570 -0.563 0.000 2.385 293 I HA 0.147 4.317 4.170 -0.000 0.000 0.294 293 I C 0.197 176.048 176.117 -0.445 0.000 0.988 293 I CA -0.380 60.703 61.300 -0.361 0.000 1.265 293 I CB 0.968 38.757 38.000 -0.352 0.000 1.388 293 I HN 0.733 nan 8.210 nan 0.000 0.480 294 H N 7.525 126.369 119.070 -0.377 0.000 2.539 294 H HA 0.298 4.854 4.556 -0.000 0.000 0.332 294 H C 0.242 175.427 175.328 -0.238 0.000 1.031 294 H CA -0.582 55.168 56.048 -0.497 0.000 1.206 294 H CB 1.553 31.117 29.762 -0.330 0.000 1.446 294 H HN 0.601 nan 8.280 nan 0.000 0.496 295 R N 3.689 123.915 120.500 -0.457 0.000 2.555 295 R HA 0.262 4.602 4.340 -0.000 0.000 0.272 295 R C -0.162 176.085 176.300 -0.088 0.000 1.089 295 R CA -0.230 55.763 56.100 -0.178 0.000 1.126 295 R CB -0.725 29.464 30.300 -0.185 0.000 1.250 295 R HN 0.410 nan 8.270 nan 0.000 0.551 296 A N 1.480 124.369 122.820 0.115 0.000 2.613 296 A HA 0.037 4.357 4.320 -0.000 0.000 0.230 296 A C 1.175 178.763 177.584 0.006 0.000 1.051 296 A CA 1.138 53.260 52.037 0.141 0.000 0.754 296 A CB -0.138 18.961 19.000 0.165 0.000 0.979 296 A HN 0.805 nan 8.150 nan 0.000 0.510 297 M N -0.261 119.348 119.600 0.016 0.000 2.925 297 M HA -0.358 4.121 4.480 -0.000 0.000 0.187 297 M C 1.020 177.305 176.300 -0.024 0.000 0.634 297 M CA 2.563 57.841 55.300 -0.036 0.000 0.714 297 M CB -2.201 30.344 32.600 -0.091 0.000 2.568 297 M HN 1.303 nan 8.290 nan 0.000 0.281 298 H N -0.237 118.768 119.070 -0.107 0.000 2.319 298 H HA 0.097 4.653 4.556 -0.000 0.000 0.297 298 H C 1.821 177.126 175.328 -0.039 0.000 1.097 298 H CA 2.282 58.294 56.048 -0.061 0.000 1.285 298 H CB -0.754 29.004 29.762 -0.006 0.000 1.368 298 H HN 0.572 nan 8.280 nan 0.000 0.495 299 A N 1.009 123.323 122.820 -0.843 0.000 2.186 299 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 299 A C 2.469 179.910 177.584 -0.238 0.000 1.159 299 A CA 1.421 53.088 52.037 -0.617 0.000 0.680 299 A CB -0.826 17.841 19.000 -0.555 0.000 0.787 299 A HN 0.406 nan 8.150 nan 0.000 0.467 300 V N -0.696 119.128 119.914 -0.150 0.000 2.667 300 V HA -0.174 3.946 4.120 -0.000 0.000 0.252 300 V C 2.130 178.201 176.094 -0.039 0.000 1.065 300 V CA 1.878 64.133 62.300 -0.074 0.000 1.083 300 V CB -0.479 31.310 31.823 -0.056 0.000 0.692 300 V HN 0.610 nan 8.190 nan 0.000 0.468 301 I N 0.769 121.317 120.570 -0.038 0.000 2.927 301 I HA -0.003 4.167 4.170 -0.000 0.000 0.268 301 I C 1.722 177.854 176.117 0.026 0.000 1.153 301 I CA 0.891 62.188 61.300 -0.004 0.000 1.459 301 I CB -0.151 37.853 38.000 0.006 0.000 1.149 301 I HN 0.397 nan 8.210 nan 0.000 0.443 302 D N 0.304 120.713 120.400 0.015 0.000 2.340 302 D HA -0.035 4.604 4.640 -0.000 0.000 0.217 302 D C 1.796 178.118 176.300 0.036 0.000 1.081 302 D CA 0.087 54.117 54.000 0.049 0.000 0.842 302 D CB -0.010 40.848 40.800 0.097 0.000 0.934 302 D HN 0.129 nan 8.370 nan 0.000 0.511 303 R N -0.257 120.246 120.500 0.004 0.000 2.048 303 R HA 0.040 4.380 4.340 -0.000 0.000 0.224 303 R C 0.258 176.602 176.300 0.073 0.000 1.163 303 R CA 0.454 56.566 56.100 0.019 0.000 0.956 303 R CB 0.057 30.340 30.300 -0.029 0.000 0.849 303 R HN 0.040 nan 8.270 nan 0.000 0.435 304 Q N 1.504 121.352 119.800 0.081 0.000 2.286 304 Q HA -0.101 4.238 4.340 -0.000 0.000 0.290 304 Q C 0.202 176.280 176.000 0.130 0.000 1.049 304 Q CA 0.703 56.567 55.803 0.102 0.000 0.923 304 Q CB 0.845 29.649 28.738 0.111 0.000 1.183 304 Q HN 0.266 nan 8.270 nan 0.000 0.383 305 K N 2.868 123.339 120.400 0.118 0.000 2.486 305 K HA -0.080 4.240 4.320 -0.000 0.000 0.194 305 K C 0.540 177.209 176.600 0.116 0.000 1.033 305 K CA 0.900 57.259 56.287 0.120 0.000 1.004 305 K CB 0.406 32.964 32.500 0.096 0.000 0.798 305 K HN 0.567 nan 8.250 nan 0.000 0.495 306 N N -1.181 117.596 118.700 0.128 0.000 2.348 306 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 306 N C -0.317 175.318 175.510 0.208 0.000 1.094 306 N CA 0.092 53.223 53.050 0.134 0.000 0.885 306 N CB 0.151 38.701 38.487 0.106 0.000 1.065 306 N HN 0.083 nan 8.380 nan 0.000 0.472 307 H N -0.759 118.379 119.070 0.113 0.000 2.865 307 H HA 0.628 5.183 4.556 -0.000 0.000 0.362 307 H C 0.208 175.668 175.328 0.220 0.000 1.114 307 H CA 0.640 56.790 56.048 0.171 0.000 1.208 307 H CB 1.654 31.506 29.762 0.151 0.000 1.727 307 H HN 0.408 nan 8.280 nan 0.000 0.534 308 G N 2.427 111.283 108.800 0.092 0.000 2.265 308 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.246 308 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.246 308 G C -1.518 173.490 174.900 0.181 0.000 1.299 308 G CA -0.334 44.825 45.100 0.099 0.000 1.117 308 G HN 0.629 nan 8.290 nan 0.000 0.485 309 I N 0.942 121.553 120.570 0.068 0.000 2.498 309 I HA 0.370 4.539 4.170 -0.000 0.000 0.290 309 I C 0.193 176.382 176.117 0.122 0.000 1.032 309 I CA -0.894 60.445 61.300 0.065 0.000 1.073 309 I CB 2.091 40.057 38.000 -0.056 0.000 1.251 309 I HN 0.688 nan 8.210 nan 0.000 0.426 310 H N 5.079 124.186 119.070 0.062 0.000 2.683 310 H HA 0.062 4.618 4.556 -0.000 0.000 0.339 310 H C 0.501 175.912 175.328 0.138 0.000 1.081 310 H CA 0.128 56.245 56.048 0.115 0.000 1.432 310 H CB 1.095 30.912 29.762 0.093 0.000 1.462 310 H HN 0.703 nan 8.280 nan 0.000 0.557 311 F N 5.828 125.391 119.950 -0.645 0.000 2.225 311 F HA -0.260 4.267 4.527 -0.000 0.000 0.302 311 F C 2.647 178.209 175.800 -0.397 0.000 1.068 311 F CA 1.855 59.578 58.000 -0.462 0.000 1.327 311 F CB -0.127 38.538 39.000 -0.559 0.000 1.043 311 F HN 0.687 nan 8.300 nan 0.000 0.506 312 R N -0.289 120.107 120.500 -0.173 0.000 2.127 312 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 312 R C 1.765 178.029 176.300 -0.060 0.000 1.134 312 R CA 1.942 58.072 56.100 0.050 0.000 0.975 312 R CB -1.234 29.370 30.300 0.506 0.000 0.865 312 R HN 0.311 nan 8.270 nan 0.000 0.447 313 V N 1.342 121.251 119.914 -0.009 0.000 2.283 313 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 313 V C 2.407 178.490 176.094 -0.020 0.000 1.039 313 V CA 1.184 63.488 62.300 0.008 0.000 1.016 313 V CB -0.467 31.373 31.823 0.029 0.000 0.650 313 V HN 0.161 nan 8.190 nan 0.000 0.449 314 L N 0.706 121.885 121.223 -0.074 0.000 2.021 314 L HA -0.231 4.108 4.340 -0.000 0.000 0.215 314 L C 2.621 179.316 176.870 -0.292 0.000 1.074 314 L CA 2.520 57.344 54.840 -0.028 0.000 0.760 314 L CB -1.468 40.577 42.059 -0.023 0.000 0.889 314 L HN 0.331 nan 8.230 nan 0.000 0.433 315 A N -1.265 121.091 122.820 -0.772 0.000 1.877 315 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 315 A C 2.388 179.796 177.584 -0.293 0.000 1.186 315 A CA 1.769 53.385 52.037 -0.702 0.000 0.620 315 A CB -0.424 18.091 19.000 -0.807 0.000 0.822 315 A HN 0.383 nan 8.150 nan 0.000 0.443 316 K N -0.446 119.877 120.400 -0.128 0.000 2.032 316 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 316 K C 2.349 178.918 176.600 -0.052 0.000 1.048 316 K CA 1.173 57.497 56.287 0.062 0.000 0.927 316 K CB -0.383 32.201 32.500 0.139 0.000 0.712 316 K HN 0.436 nan 8.250 nan 0.000 0.441 317 A N 1.404 124.167 122.820 -0.095 0.000 1.917 317 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 317 A C 2.130 179.587 177.584 -0.212 0.000 1.182 317 A CA 1.550 53.458 52.037 -0.216 0.000 0.633 317 A CB -0.624 18.204 19.000 -0.287 0.000 0.819 317 A HN 0.314 nan 8.150 nan 0.000 0.448 318 L N -0.595 120.508 121.223 -0.201 0.000 2.044 318 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 318 L C 2.535 179.217 176.870 -0.313 0.000 1.075 318 L CA 2.104 56.741 54.840 -0.338 0.000 0.747 318 L CB -0.275 41.378 42.059 -0.678 0.000 0.903 318 L HN 0.457 nan 8.230 nan 0.000 0.435 319 R N -0.640 119.655 120.500 -0.341 0.000 2.293 319 R HA -0.111 4.229 4.340 -0.000 0.000 0.219 319 R C 1.742 177.817 176.300 -0.375 0.000 1.091 319 R CA 1.588 57.434 56.100 -0.424 0.000 1.004 319 R CB -0.337 29.576 30.300 -0.645 0.000 0.865 319 R HN 0.418 nan 8.270 nan 0.000 0.469 320 M N -1.129 118.282 119.600 -0.315 0.000 2.412 320 M HA 0.031 4.511 4.480 -0.000 0.000 0.263 320 M C 2.247 178.514 176.300 -0.055 0.000 1.122 320 M CA 1.390 56.488 55.300 -0.336 0.000 1.179 320 M CB -0.016 32.176 32.600 -0.679 0.000 1.335 320 M HN 0.318 nan 8.290 nan 0.000 0.465 321 S N -0.179 115.477 115.700 -0.074 0.000 2.345 321 S HA 0.104 4.574 4.470 -0.000 0.000 0.219 321 S C 0.795 175.373 174.600 -0.037 0.000 1.031 321 S CA 1.341 59.547 58.200 0.010 0.000 0.984 321 S CB -0.139 63.089 63.200 0.045 0.000 0.874 321 S HN 0.591 nan 8.310 nan 0.000 0.451 322 G N -1.598 107.140 108.800 -0.103 0.000 2.350 322 G HA2 0.448 4.407 3.960 -0.000 0.000 0.274 322 G HA3 0.448 4.407 3.960 -0.000 0.000 0.274 322 G C -0.405 174.403 174.900 -0.153 0.000 1.621 322 G CA -0.338 44.694 45.100 -0.114 0.000 0.935 322 G HN 1.067 nan 8.290 nan 0.000 0.694 323 G N 0.386 109.084 108.800 -0.170 0.000 2.596 323 G HA2 0.578 4.538 3.960 -0.000 0.000 0.296 323 G HA3 0.578 4.538 3.960 -0.000 0.000 0.296 323 G C -0.344 174.470 174.900 -0.144 0.000 1.513 323 G CA 0.121 45.108 45.100 -0.187 0.000 0.851 323 G HN 0.357 nan 8.290 nan 0.000 0.548 324 D N -0.499 119.830 120.400 -0.118 0.000 2.323 324 D HA 0.105 4.745 4.640 -0.000 0.000 0.218 324 D C 0.346 176.723 176.300 0.128 0.000 0.973 324 D CA 0.935 54.922 54.000 -0.023 0.000 0.890 324 D CB 0.401 41.184 40.800 -0.029 0.000 1.011 324 D HN 0.548 nan 8.370 nan 0.000 0.499 325 H N -0.629 118.360 119.070 -0.134 0.000 2.621 325 H HA 0.650 5.206 4.556 -0.000 0.000 0.360 325 H C -0.741 174.450 175.328 -0.229 0.000 1.163 325 H CA -0.818 55.159 56.048 -0.118 0.000 1.194 325 H CB 3.096 32.863 29.762 0.008 0.000 1.649 325 H HN -0.105 nan 8.280 nan 0.000 0.532 326 I N 0.966 121.503 120.570 -0.055 0.000 2.752 326 I HA 0.139 4.309 4.170 -0.000 0.000 0.295 326 I C -0.830 175.309 176.117 0.037 0.000 1.219 326 I CA -0.462 60.780 61.300 -0.097 0.000 1.030 326 I CB 2.143 40.073 38.000 -0.118 0.000 1.259 326 I HN 0.663 nan 8.210 nan 0.000 0.423 327 H N 4.539 123.501 119.070 -0.179 0.000 2.683 327 H HA 0.201 4.757 4.556 -0.000 0.000 0.339 327 H C 0.433 175.688 175.328 -0.122 0.000 1.081 327 H CA 0.209 56.148 56.048 -0.181 0.000 1.432 327 H CB 1.251 30.843 29.762 -0.285 0.000 1.462 327 H HN 0.663 nan 8.280 nan 0.000 0.557 328 S N 1.898 117.593 115.700 -0.008 0.000 2.540 328 S HA 0.332 4.802 4.470 -0.000 0.000 0.222 328 S C 0.988 175.686 174.600 0.163 0.000 1.008 328 S CA 0.058 58.368 58.200 0.183 0.000 0.939 328 S CB 1.125 64.511 63.200 0.310 0.000 0.865 328 S HN 1.042 nan 8.310 nan 0.000 0.499 329 G N 1.050 109.834 108.800 -0.027 0.000 2.525 329 G HA2 0.029 3.989 3.960 -0.000 0.000 0.685 329 G HA3 0.029 3.989 3.960 -0.000 0.000 0.685 329 G C 0.188 175.113 174.900 0.042 0.000 1.290 329 G CA 0.217 45.322 45.100 0.007 0.000 0.915 329 G HN 0.906 nan 8.290 nan 0.000 0.548 330 T N -3.634 110.956 114.554 0.060 0.000 2.969 330 T HA 0.529 4.879 4.350 -0.000 0.000 0.258 330 T C 1.673 176.461 174.700 0.146 0.000 0.962 330 T CA 1.317 63.484 62.100 0.111 0.000 0.903 330 T CB 0.674 69.499 68.868 -0.072 0.000 1.177 330 T HN 2.293 nan 8.240 nan 0.000 0.511 331 V N 0.320 120.288 119.914 0.091 0.000 0.575 331 V HA -0.298 3.822 4.120 -0.000 0.000 0.092 331 V C 1.703 177.842 176.094 0.076 0.000 1.919 331 V CA 1.794 64.134 62.300 0.067 0.000 3.435 331 V CB -1.512 30.330 31.823 0.031 0.000 0.726 331 V HN 0.397 nan 8.190 nan 0.000 0.753 332 V N 1.281 121.247 119.914 0.086 0.000 3.636 332 V HA 0.446 4.566 4.120 -0.000 0.000 0.279 332 V C 1.044 177.193 176.094 0.092 0.000 1.263 332 V CA 1.670 64.055 62.300 0.141 0.000 1.182 332 V CB -0.202 31.730 31.823 0.181 0.000 0.955 332 V HN 0.827 nan 8.190 nan 0.000 0.443 333 G N -0.291 108.479 108.800 -0.050 0.000 3.262 333 G HA2 0.300 4.260 3.960 -0.000 0.000 0.229 333 G HA3 0.300 4.260 3.960 -0.000 0.000 0.229 333 G C 0.718 175.326 174.900 -0.487 0.000 1.280 333 G CA 0.169 45.100 45.100 -0.281 0.000 0.951 333 G HN 0.240 nan 8.290 nan 0.000 0.589 334 K N -1.029 118.816 120.400 -0.925 0.000 2.211 334 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 334 K C 0.254 176.648 176.600 -0.342 0.000 1.047 334 K CA 0.967 56.758 56.287 -0.827 0.000 0.935 334 K CB -0.383 31.669 32.500 -0.747 0.000 0.728 334 K HN 0.237 nan 8.250 nan 0.000 0.452 335 L N 1.165 122.247 121.223 -0.234 0.000 2.319 335 L HA 0.335 4.674 4.340 -0.000 0.000 0.267 335 L C -0.171 176.656 176.870 -0.071 0.000 1.011 335 L CA -1.342 53.417 54.840 -0.135 0.000 0.818 335 L CB 1.657 43.650 42.059 -0.111 0.000 1.316 335 L HN 0.057 nan 8.230 nan 0.000 0.432 336 E N 0.589 120.759 120.200 -0.049 0.000 2.508 336 E HA 0.328 4.677 4.350 -0.000 0.000 0.266 336 E C -0.219 176.399 176.600 0.030 0.000 1.010 336 E CA 0.992 57.390 56.400 -0.004 0.000 0.955 336 E CB 0.415 30.108 29.700 -0.013 0.000 0.946 336 E HN 0.775 nan 8.360 nan 0.000 0.454 337 G N 2.762 111.601 108.800 0.064 0.000 2.088 337 G HA2 0.135 4.094 3.960 -0.000 0.000 0.222 337 G HA3 0.135 4.094 3.960 -0.000 0.000 0.222 337 G C -1.570 173.378 174.900 0.079 0.000 1.690 337 G CA -0.882 44.274 45.100 0.093 0.000 0.923 337 G HN 0.408 nan 8.290 nan 0.000 0.730 338 E N 1.257 121.508 120.200 0.085 0.000 2.191 338 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 338 E C 1.487 178.086 176.600 -0.001 0.000 0.972 338 E CA -1.157 55.273 56.400 0.050 0.000 0.804 338 E CB 1.629 31.364 29.700 0.059 0.000 1.110 338 E HN 0.517 nan 8.360 nan 0.000 0.394 339 R N 2.799 123.284 120.500 -0.025 0.000 2.159 339 R HA -0.247 4.093 4.340 -0.000 0.000 0.252 339 R C 0.578 176.816 176.300 -0.104 0.000 1.144 339 R CA 2.437 58.491 56.100 -0.078 0.000 0.961 339 R CB 0.061 30.326 30.300 -0.059 0.000 0.877 339 R HN 0.566 nan 8.270 nan 0.000 0.444 340 D N 0.014 120.376 120.400 -0.063 0.000 2.103 340 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 340 D C 2.040 178.294 176.300 -0.077 0.000 0.978 340 D CA 0.902 54.865 54.000 -0.061 0.000 0.829 340 D CB -0.176 40.607 40.800 -0.028 0.000 0.981 340 D HN 0.196 nan 8.370 nan 0.000 0.464 341 I N 1.550 122.092 120.570 -0.046 0.000 2.127 341 I HA -0.221 3.949 4.170 -0.000 0.000 0.241 341 I C 2.439 178.357 176.117 -0.331 0.000 1.075 341 I CA 1.225 62.520 61.300 -0.010 0.000 1.334 341 I CB -1.558 36.538 38.000 0.160 0.000 1.040 341 I HN -0.012 nan 8.210 nan 0.000 0.405 342 T N 1.722 115.996 114.554 -0.466 0.000 2.665 342 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 342 T C 2.141 176.468 174.700 -0.621 0.000 1.035 342 T CA 1.218 62.786 62.100 -0.886 0.000 1.151 342 T CB -0.390 68.260 68.868 -0.364 0.000 0.862 342 T HN 0.246 nan 8.240 nan 0.000 0.438 343 L N 0.498 121.536 121.223 -0.308 0.000 2.127 343 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 343 L C 2.912 179.727 176.870 -0.092 0.000 1.089 343 L CA 1.359 56.097 54.840 -0.169 0.000 0.757 343 L CB -1.107 40.876 42.059 -0.127 0.000 0.899 343 L HN 0.376 nan 8.230 nan 0.000 0.434 344 G N 1.146 109.881 108.800 -0.108 0.000 2.484 344 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.215 344 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.215 344 G C 1.284 176.267 174.900 0.139 0.000 1.219 344 G CA 0.994 46.111 45.100 0.028 0.000 0.791 344 G HN 0.445 nan 8.290 nan 0.000 0.550 345 F N 0.922 120.995 119.950 0.205 0.000 2.325 345 F HA 0.160 4.687 4.527 -0.000 0.000 0.299 345 F C 2.303 178.218 175.800 0.190 0.000 1.090 345 F CA 0.208 58.336 58.000 0.213 0.000 1.392 345 F CB -1.120 38.039 39.000 0.265 0.000 1.053 345 F HN 0.006 nan 8.300 nan 0.000 0.521 346 V N 1.735 121.839 119.914 0.317 0.000 2.282 346 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 346 V C 2.196 178.425 176.094 0.226 0.000 1.057 346 V CA 2.458 64.941 62.300 0.304 0.000 1.032 346 V CB -0.762 31.196 31.823 0.224 0.000 0.645 346 V HN 0.290 nan 8.190 nan 0.000 0.447 347 D N -0.192 120.317 120.400 0.182 0.000 2.144 347 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 347 D C 2.136 178.569 176.300 0.222 0.000 0.984 347 D CA 1.046 55.148 54.000 0.170 0.000 0.834 347 D CB -0.255 40.629 40.800 0.139 0.000 0.955 347 D HN 0.344 nan 8.370 nan 0.000 0.465 348 L N -0.014 121.373 121.223 0.274 0.000 2.131 348 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 348 L C 2.177 179.216 176.870 0.282 0.000 1.092 348 L CA 0.432 55.493 54.840 0.368 0.000 0.759 348 L CB -0.128 42.143 42.059 0.353 0.000 0.903 348 L HN 0.087 nan 8.230 nan 0.000 0.435 349 L N -0.278 121.043 121.223 0.164 0.000 2.068 349 L HA -0.095 4.245 4.340 -0.000 0.000 0.204 349 L C 2.667 179.493 176.870 -0.074 0.000 1.076 349 L CA 1.740 56.578 54.840 -0.004 0.000 0.753 349 L CB -0.659 41.446 42.059 0.077 0.000 0.910 349 L HN 0.203 nan 8.230 nan 0.000 0.439 350 R N -1.216 119.302 120.500 0.030 0.000 2.156 350 R HA 0.103 4.443 4.340 -0.000 0.000 0.207 350 R C -0.001 176.327 176.300 0.047 0.000 1.040 350 R CA -0.125 55.985 56.100 0.016 0.000 1.013 350 R CB -0.189 30.148 30.300 0.061 0.000 0.931 350 R HN 0.238 nan 8.270 nan 0.000 0.465 351 D N 1.135 121.610 120.400 0.124 0.000 2.357 351 D HA -0.022 4.618 4.640 -0.000 0.000 0.242 351 D C 0.329 176.794 176.300 0.274 0.000 1.153 351 D CA 0.053 54.163 54.000 0.183 0.000 0.918 351 D CB 1.014 41.935 40.800 0.201 0.000 1.181 351 D HN -0.044 nan 8.370 nan 0.000 0.435 352 D N -0.712 119.848 120.400 0.267 0.000 2.162 352 D HA -0.024 4.616 4.640 -0.000 0.000 0.205 352 D C -0.378 176.174 176.300 0.420 0.000 0.964 352 D CA 0.480 54.673 54.000 0.322 0.000 0.847 352 D CB 0.280 41.224 40.800 0.239 0.000 0.988 352 D HN 0.228 nan 8.370 nan 0.000 0.480 353 F N 0.116 120.167 119.950 0.168 0.000 2.556 353 F HA 0.528 5.054 4.527 -0.000 0.000 0.314 353 F C -1.504 174.360 175.800 0.108 0.000 1.106 353 F CA -0.916 57.148 58.000 0.107 0.000 0.911 353 F CB 1.894 40.936 39.000 0.071 0.000 1.190 353 F HN -0.342 nan 8.300 nan 0.000 0.448 354 V N 4.678 124.462 119.914 -0.216 0.000 2.447 354 V HA 0.264 4.383 4.120 -0.000 0.000 0.292 354 V C -0.542 175.416 176.094 -0.228 0.000 1.021 354 V CA -0.759 61.501 62.300 -0.066 0.000 0.850 354 V CB 1.343 33.188 31.823 0.038 0.000 1.005 354 V HN 0.703 nan 8.190 nan 0.000 0.426 355 E N 3.139 123.326 120.200 -0.020 0.000 2.392 355 E HA 0.146 4.495 4.350 -0.000 0.000 0.264 355 E C 0.262 176.869 176.600 0.012 0.000 1.024 355 E CA 0.098 56.520 56.400 0.036 0.000 0.903 355 E CB 0.702 30.506 29.700 0.174 0.000 0.963 355 E HN 0.728 nan 8.360 nan 0.000 0.432 356 Q N 2.704 122.510 119.800 0.011 0.000 2.286 356 Q HA -0.024 4.316 4.340 -0.000 0.000 0.290 356 Q C -0.979 175.020 176.000 -0.000 0.000 1.049 356 Q CA 0.426 56.237 55.803 0.013 0.000 0.923 356 Q CB 0.416 29.166 28.738 0.020 0.000 1.183 356 Q HN 0.412 nan 8.270 nan 0.000 0.383 357 D N 3.059 123.447 120.400 -0.019 0.000 2.411 357 D HA 0.167 4.807 4.640 -0.000 0.000 0.239 357 D C -0.031 176.221 176.300 -0.079 0.000 1.307 357 D CA -0.425 53.555 54.000 -0.034 0.000 0.930 357 D CB 0.537 41.336 40.800 -0.002 0.000 1.395 357 D HN 0.700 nan 8.370 nan 0.000 0.536 358 R N 0.953 121.364 120.500 -0.148 0.000 2.261 358 R HA -0.143 4.197 4.340 -0.000 0.000 0.236 358 R C 2.018 178.218 176.300 -0.168 0.000 1.141 358 R CA 1.474 57.421 56.100 -0.256 0.000 1.001 358 R CB 0.022 30.114 30.300 -0.347 0.000 0.866 358 R HN 0.562 nan 8.270 nan 0.000 0.468 359 S N 0.886 116.528 115.700 -0.097 0.000 2.363 359 S HA -0.209 4.261 4.470 -0.000 0.000 0.218 359 S C 1.680 176.253 174.600 -0.046 0.000 1.035 359 S CA 0.942 59.106 58.200 -0.060 0.000 1.043 359 S CB -0.226 62.951 63.200 -0.038 0.000 0.986 359 S HN 0.302 nan 8.310 nan 0.000 0.423 360 R N 1.316 121.799 120.500 -0.029 0.000 2.340 360 R HA 0.201 4.541 4.340 -0.000 0.000 0.215 360 R C 1.454 177.772 176.300 0.030 0.000 1.017 360 R CA 0.443 56.542 56.100 -0.002 0.000 1.111 360 R CB -0.741 29.563 30.300 0.006 0.000 1.049 360 R HN 0.805 nan 8.270 nan 0.000 0.490 361 G N 1.119 109.924 108.800 0.008 0.000 2.162 361 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 361 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 361 G C 0.259 175.283 174.900 0.206 0.000 0.976 361 G CA -0.164 44.989 45.100 0.088 0.000 0.655 361 G HN 0.346 nan 8.290 nan 0.000 0.533 362 I N 1.455 122.094 120.570 0.115 0.000 2.278 362 I HA 0.217 4.387 4.170 -0.000 0.000 0.296 362 I C 1.229 177.429 176.117 0.137 0.000 1.121 362 I CA -0.748 60.651 61.300 0.164 0.000 1.267 362 I CB 0.207 38.267 38.000 0.101 0.000 1.447 362 I HN 0.058 nan 8.210 nan 0.000 0.509 363 Y N 5.447 125.652 120.300 -0.160 0.000 2.561 363 Y HA 0.125 4.675 4.550 -0.000 0.000 0.291 363 Y C 0.172 175.728 175.900 -0.574 0.000 1.141 363 Y CA 0.090 57.942 58.100 -0.412 0.000 1.303 363 Y CB -0.439 37.598 38.460 -0.705 0.000 1.015 363 Y HN 0.295 nan 8.280 nan 0.000 0.547 364 F N -2.266 117.768 119.950 0.139 0.000 2.613 364 F HA 0.397 4.924 4.527 -0.000 0.000 0.310 364 F C 0.189 175.955 175.800 -0.055 0.000 1.085 364 F CA -1.637 56.392 58.000 0.050 0.000 0.945 364 F CB 0.985 39.998 39.000 0.022 0.000 1.298 364 F HN -0.511 nan 8.300 nan 0.000 0.455 365 T N 1.439 116.066 114.554 0.121 0.000 2.884 365 T HA 0.268 4.617 4.350 -0.000 0.000 0.298 365 T C -0.553 173.990 174.700 -0.262 0.000 0.998 365 T CA -0.096 61.919 62.100 -0.143 0.000 1.124 365 T CB 0.714 69.492 68.868 -0.151 0.000 0.931 365 T HN 0.345 nan 8.240 nan 0.000 0.531 366 Q N 2.710 122.241 119.800 -0.448 0.000 2.357 366 Q HA 0.320 4.660 4.340 -0.000 0.000 0.266 366 Q C -1.376 174.184 176.000 -0.732 0.000 1.021 366 Q CA -0.699 54.761 55.803 -0.572 0.000 0.784 366 Q CB 1.130 29.517 28.738 -0.585 0.000 1.243 366 Q HN 0.545 nan 8.270 nan 0.000 0.465 367 D N 2.591 122.638 120.400 -0.589 0.000 2.280 367 D HA 0.184 4.824 4.640 -0.000 0.000 0.236 367 D C -0.401 175.761 176.300 -0.230 0.000 1.082 367 D CA -0.279 53.547 54.000 -0.290 0.000 0.834 367 D CB 0.563 41.359 40.800 -0.006 0.000 1.100 367 D HN 0.646 nan 8.370 nan 0.000 0.486 368 W N 3.119 124.433 121.300 0.022 0.000 3.353 368 W HA 0.079 4.739 4.660 -0.000 0.000 0.304 368 W C 0.824 177.361 176.519 0.030 0.000 1.273 368 W CA -0.472 56.876 57.345 0.005 0.000 1.773 368 W CB -0.013 29.445 29.460 -0.003 0.000 1.095 368 W HN 0.351 nan 8.180 nan 0.000 0.676 369 V N -0.219 119.838 119.914 0.238 0.000 5.678 369 V HA -0.389 3.730 4.120 -0.000 0.000 0.205 369 V C 0.764 176.955 176.094 0.162 0.000 0.703 369 V CA 0.658 63.062 62.300 0.172 0.000 0.545 369 V CB -2.394 29.505 31.823 0.128 0.000 0.202 369 V HN 0.473 nan 8.190 nan 0.000 0.481 370 S N -2.089 113.712 115.700 0.169 0.000 3.261 370 S HA -0.229 4.240 4.470 -0.000 0.000 0.287 370 S C 0.365 175.022 174.600 0.094 0.000 1.281 370 S CA 1.065 59.337 58.200 0.119 0.000 1.053 370 S CB -1.171 62.079 63.200 0.084 0.000 1.251 370 S HN 1.712 nan 8.310 nan 0.000 0.659 371 L N 2.534 123.829 121.223 0.120 0.000 2.485 371 L HA 0.315 4.654 4.340 -0.000 0.000 0.275 371 L C -1.883 174.947 176.870 -0.067 0.000 1.207 371 L CA -0.893 53.951 54.840 0.007 0.000 0.855 371 L CB -0.117 41.943 42.059 0.000 0.000 1.114 371 L HN -0.134 nan 8.230 nan 0.000 0.485 372 P HA 0.177 nan 4.420 nan 0.000 0.269 372 P C -0.606 176.601 177.300 -0.155 0.000 1.217 372 P CA -0.064 62.991 63.100 -0.075 0.000 0.783 372 P CB 0.481 32.144 31.700 -0.062 0.000 0.898 373 G N 0.334 109.069 108.800 -0.107 0.000 2.434 373 G HA2 0.520 4.480 3.960 -0.000 0.000 0.330 373 G HA3 0.520 4.480 3.960 -0.000 0.000 0.330 373 G C -0.965 173.871 174.900 -0.106 0.000 1.155 373 G CA -0.487 44.523 45.100 -0.149 0.000 0.917 373 G HN 0.340 nan 8.290 nan 0.000 0.493 374 V N 1.081 120.920 119.914 -0.126 0.000 2.612 374 V HA 0.291 4.410 4.120 -0.000 0.000 0.301 374 V C -0.117 175.964 176.094 -0.023 0.000 1.046 374 V CA -0.861 61.396 62.300 -0.072 0.000 0.946 374 V CB 1.662 33.405 31.823 -0.133 0.000 1.003 374 V HN 0.537 nan 8.190 nan 0.000 0.459 375 L N 8.057 129.281 121.223 0.001 0.000 2.342 375 L HA 0.376 4.716 4.340 -0.000 0.000 0.285 375 L C -1.861 174.960 176.870 -0.081 0.000 1.095 375 L CA -1.572 53.244 54.840 -0.039 0.000 0.843 375 L CB 0.624 42.635 42.059 -0.080 0.000 1.201 375 L HN 0.473 nan 8.230 nan 0.000 0.445 376 P HA 0.085 nan 4.420 nan 0.000 0.271 376 P C -1.093 176.062 177.300 -0.242 0.000 1.218 376 P CA -0.150 62.897 63.100 -0.088 0.000 0.780 376 P CB 1.334 33.030 31.700 -0.008 0.000 0.901 377 V N 2.149 121.903 119.914 -0.268 0.000 2.540 377 V HA 0.554 4.674 4.120 -0.000 0.000 0.302 377 V C 0.391 176.164 176.094 -0.536 0.000 1.035 377 V CA -0.927 61.140 62.300 -0.388 0.000 0.873 377 V CB 1.485 33.140 31.823 -0.280 0.000 0.992 377 V HN 0.703 nan 8.190 nan 0.000 0.428 378 A N 3.354 125.813 122.820 -0.602 0.000 2.253 378 A HA 0.830 5.150 4.320 -0.000 0.000 0.316 378 A C -0.033 177.246 177.584 -0.508 0.000 1.327 378 A CA -0.203 51.485 52.037 -0.582 0.000 0.917 378 A CB 0.886 19.477 19.000 -0.682 0.000 1.162 378 A HN 0.741 nan 8.150 nan 0.000 0.535 379 S N 0.695 116.134 115.700 -0.434 0.000 2.607 379 S HA 0.826 5.295 4.470 -0.000 0.000 0.273 379 S C -0.317 174.115 174.600 -0.281 0.000 1.148 379 S CA 0.351 58.316 58.200 -0.392 0.000 0.833 379 S CB 1.678 64.659 63.200 -0.366 0.000 1.130 379 S HN 2.507 nan 8.310 nan 0.000 0.470 380 G N 0.655 109.296 108.800 -0.264 0.000 3.439 380 G HA2 0.393 4.352 3.960 -0.000 0.000 0.684 380 G HA3 0.393 4.352 3.960 -0.000 0.000 0.684 380 G C 0.756 175.460 174.900 -0.327 0.000 1.005 380 G CA 0.122 45.087 45.100 -0.226 0.000 0.837 380 G HN 2.038 nan 8.290 nan 0.000 0.470 381 G N 0.799 109.418 108.800 -0.301 0.000 2.314 381 G HA2 0.117 4.076 3.960 -0.000 0.000 0.292 381 G HA3 0.117 4.076 3.960 -0.000 0.000 0.292 381 G C 0.502 175.209 174.900 -0.322 0.000 1.059 381 G CA 0.989 45.870 45.100 -0.364 0.000 0.982 381 G HN 2.385 nan 8.290 nan 0.000 0.505 382 I N -2.316 118.089 120.570 -0.275 0.000 2.740 382 I HA 0.996 5.166 4.170 -0.000 0.000 0.303 382 I C -0.141 176.066 176.117 0.149 0.000 1.044 382 I CA -1.558 59.521 61.300 -0.369 0.000 1.064 382 I CB 2.301 40.044 38.000 -0.428 0.000 1.249 382 I HN 0.371 nan 8.210 nan 0.000 0.433 383 H N 1.593 120.967 119.070 0.506 0.000 2.990 383 H HA 0.446 5.001 4.556 -0.000 0.000 0.336 383 H C 0.237 175.738 175.328 0.288 0.000 1.306 383 H CA -0.846 55.363 56.048 0.269 0.000 1.118 383 H CB 0.868 30.592 29.762 -0.063 0.000 1.856 383 H HN 0.262 nan 8.280 nan 0.000 0.538 384 V N -0.213 119.815 119.914 0.191 0.000 2.251 384 V HA -0.363 3.757 4.120 -0.000 0.000 0.259 384 V C 1.026 177.124 176.094 0.006 0.000 1.078 384 V CA 2.727 64.973 62.300 -0.090 0.000 1.072 384 V CB -0.659 31.035 31.823 -0.215 0.000 0.681 384 V HN 0.871 nan 8.190 nan 0.000 0.454 385 W N -0.596 120.906 121.300 0.338 0.000 3.223 385 W HA 0.018 4.678 4.660 -0.001 0.000 0.249 385 W C 1.918 178.445 176.519 0.014 0.000 1.331 385 W CA 0.507 57.941 57.345 0.149 0.000 1.522 385 W CB -0.467 29.076 29.460 0.138 0.000 1.098 385 W HN 0.489 nan 8.180 nan 0.000 0.729 386 H N -2.018 117.196 119.070 0.239 0.000 3.046 386 H HA 0.111 4.667 4.556 -0.000 0.000 0.262 386 H C 1.841 177.264 175.328 0.158 0.000 1.044 386 H CA 0.104 56.246 56.048 0.157 0.000 1.209 386 H CB -0.067 29.737 29.762 0.070 0.000 1.507 386 H HN 0.106 nan 8.280 nan 0.000 0.507 387 M N 2.699 122.456 119.600 0.263 0.000 2.609 387 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 387 M C -0.957 175.440 176.300 0.163 0.000 1.061 387 M CA 2.189 57.601 55.300 0.186 0.000 1.068 387 M CB -1.126 31.514 32.600 0.066 0.000 1.258 387 M HN 0.088 nan 8.290 nan 0.000 0.471 388 P HA -0.130 nan 4.420 nan 0.000 0.216 388 P C 1.052 178.418 177.300 0.110 0.000 1.150 388 P CA 2.503 65.669 63.100 0.110 0.000 0.843 388 P CB -0.502 31.260 31.700 0.105 0.000 0.787 389 A N -0.341 122.560 122.820 0.135 0.000 1.854 389 A HA -0.112 4.207 4.320 -0.000 0.000 0.214 389 A C 2.383 180.024 177.584 0.095 0.000 1.192 389 A CA 1.296 53.397 52.037 0.106 0.000 0.611 389 A CB -1.569 17.511 19.000 0.133 0.000 0.832 389 A HN 0.091 nan 8.150 nan 0.000 0.442 390 L N -0.404 120.926 121.223 0.178 0.000 1.970 390 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 390 L C 2.847 179.870 176.870 0.256 0.000 1.071 390 L CA 2.017 57.026 54.840 0.282 0.000 0.751 390 L CB -1.277 40.968 42.059 0.310 0.000 0.889 390 L HN 0.379 nan 8.230 nan 0.000 0.432 391 T N -1.119 113.550 114.554 0.191 0.000 2.653 391 T HA -0.268 4.081 4.350 -0.000 0.000 0.268 391 T C 1.776 176.535 174.700 0.098 0.000 1.035 391 T CA 1.619 63.808 62.100 0.148 0.000 1.154 391 T CB -0.289 68.646 68.868 0.112 0.000 0.862 391 T HN 0.329 nan 8.240 nan 0.000 0.441 392 E N 1.024 121.261 120.200 0.063 0.000 2.012 392 E HA -0.125 4.224 4.350 -0.000 0.000 0.197 392 E C 2.311 178.876 176.600 -0.058 0.000 1.007 392 E CA 1.281 57.688 56.400 0.011 0.000 0.816 392 E CB -0.334 29.371 29.700 0.008 0.000 0.762 392 E HN 0.504 nan 8.360 nan 0.000 0.451 393 I N -0.145 120.330 120.570 -0.159 0.000 2.208 393 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 393 I C 2.255 178.053 176.117 -0.532 0.000 1.097 393 I CA 1.249 62.308 61.300 -0.401 0.000 1.363 393 I CB -0.369 37.228 38.000 -0.670 0.000 1.051 393 I HN 0.057 nan 8.210 nan 0.000 0.413 394 F N 0.476 120.434 119.950 0.013 0.000 2.446 394 F HA 0.343 4.870 4.527 -0.000 0.000 0.292 394 F C 1.510 177.322 175.800 0.020 0.000 1.096 394 F CA 0.637 58.644 58.000 0.012 0.000 1.438 394 F CB -0.675 38.327 39.000 0.002 0.000 1.107 394 F HN 0.146 nan 8.300 nan 0.000 0.546 395 G N 0.571 109.479 108.800 0.180 0.000 2.756 395 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.678 395 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.678 395 G C -0.043 174.934 174.900 0.128 0.000 1.349 395 G CA -0.261 44.913 45.100 0.123 0.000 0.847 395 G HN 0.069 nan 8.290 nan 0.000 0.548 396 D N 0.234 120.692 120.400 0.096 0.000 2.133 396 D HA -0.045 4.595 4.640 -0.000 0.000 0.195 396 D C 1.101 177.444 176.300 0.072 0.000 0.997 396 D CA 1.686 55.736 54.000 0.082 0.000 0.840 396 D CB -0.139 40.708 40.800 0.078 0.000 0.947 396 D HN 0.464 nan 8.370 nan 0.000 0.452 397 D N 0.557 121.003 120.400 0.077 0.000 2.545 397 D HA 0.168 4.808 4.640 -0.000 0.000 0.227 397 D C -0.031 176.296 176.300 0.045 0.000 1.150 397 D CA 0.133 54.169 54.000 0.060 0.000 1.046 397 D CB -0.278 40.563 40.800 0.068 0.000 1.098 397 D HN 0.042 nan 8.370 nan 0.000 0.502 398 S N -1.237 114.465 115.700 0.003 0.000 2.567 398 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 398 S C -1.070 173.461 174.600 -0.114 0.000 1.152 398 S CA -0.970 57.182 58.200 -0.081 0.000 0.835 398 S CB 1.498 64.656 63.200 -0.070 0.000 1.115 398 S HN -0.075 nan 8.310 nan 0.000 0.459 399 V N 2.197 121.990 119.914 -0.202 0.000 2.417 399 V HA 0.565 4.685 4.120 -0.000 0.000 0.291 399 V C -0.767 175.198 176.094 -0.216 0.000 1.024 399 V CA -0.584 61.628 62.300 -0.146 0.000 0.861 399 V CB 1.130 32.871 31.823 -0.136 0.000 0.985 399 V HN 0.827 nan 8.190 nan 0.000 0.436 400 L N 5.146 126.273 121.223 -0.160 0.000 2.333 400 L HA 0.600 4.940 4.340 -0.000 0.000 0.280 400 L C -0.300 176.331 176.870 -0.398 0.000 1.004 400 L CA -0.482 54.179 54.840 -0.299 0.000 0.820 400 L CB 1.752 43.733 42.059 -0.130 0.000 1.247 400 L HN 0.540 nan 8.230 nan 0.000 0.416 401 Q N 3.287 122.701 119.800 -0.644 0.000 2.307 401 Q HA 0.479 4.819 4.340 -0.000 0.000 0.262 401 Q C -1.457 174.019 176.000 -0.873 0.000 0.961 401 Q CA -0.467 54.974 55.803 -0.604 0.000 0.882 401 Q CB 2.365 30.878 28.738 -0.375 0.000 1.264 401 Q HN 0.432 nan 8.270 nan 0.000 0.446 402 F N 1.165 121.049 119.950 -0.111 0.000 2.363 402 F HA 0.307 4.834 4.527 -0.000 0.000 0.366 402 F C 1.061 176.803 175.800 -0.097 0.000 1.083 402 F CA -0.701 57.230 58.000 -0.115 0.000 1.176 402 F CB 0.828 39.759 39.000 -0.115 0.000 1.432 402 F HN 0.721 nan 8.300 nan 0.000 0.482 403 G N 1.503 110.296 108.800 -0.012 0.000 2.733 403 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.213 403 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.213 403 G C 1.762 176.678 174.900 0.025 0.000 1.351 403 G CA 0.726 45.823 45.100 -0.004 0.000 0.853 403 G HN 0.693 nan 8.290 nan 0.000 0.590 404 G N 0.629 109.436 108.800 0.012 0.000 2.446 404 G HA2 0.053 4.013 3.960 -0.000 0.000 0.217 404 G HA3 0.053 4.013 3.960 -0.000 0.000 0.217 404 G C 1.785 176.678 174.900 -0.011 0.000 1.168 404 G CA 1.366 46.488 45.100 0.036 0.000 0.771 404 G HN 0.780 nan 8.290 nan 0.000 0.551 405 G N -0.691 108.030 108.800 -0.132 0.000 2.601 405 G HA2 0.057 4.017 3.960 -0.000 0.000 0.214 405 G HA3 0.057 4.017 3.960 -0.000 0.000 0.214 405 G C 1.369 176.225 174.900 -0.074 0.000 1.132 405 G CA 1.778 46.676 45.100 -0.336 0.000 0.761 405 G HN 0.456 nan 8.290 nan 0.000 0.550 406 T N -0.219 114.378 114.554 0.071 0.000 3.330 406 T HA 0.098 4.448 4.350 -0.000 0.000 0.240 406 T C 1.747 176.531 174.700 0.140 0.000 0.988 406 T CA -0.274 61.882 62.100 0.092 0.000 1.253 406 T CB -0.121 68.782 68.868 0.058 0.000 1.163 406 T HN 0.004 nan 8.240 nan 0.000 0.382 407 L N 2.052 123.340 121.223 0.109 0.000 2.700 407 L HA 0.206 4.546 4.340 -0.000 0.000 0.240 407 L C 2.087 179.066 176.870 0.181 0.000 1.162 407 L CA 0.784 55.693 54.840 0.116 0.000 0.874 407 L CB -0.403 41.690 42.059 0.057 0.000 1.001 407 L HN 0.416 nan 8.230 nan 0.000 0.447 408 G N -3.158 105.815 108.800 0.289 0.000 3.020 408 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 408 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 408 G C 0.591 175.792 174.900 0.501 0.000 1.144 408 G CA -0.285 45.086 45.100 0.451 0.000 0.760 408 G HN 0.351 nan 8.290 nan 0.000 0.548 409 H N 2.046 121.331 119.070 0.359 0.000 2.803 409 H HA 0.100 4.655 4.556 -0.001 0.000 0.330 409 H C -1.026 174.295 175.328 -0.013 0.000 1.057 409 H CA -1.182 54.925 56.048 0.099 0.000 1.458 409 H CB 2.055 31.850 29.762 0.055 0.000 1.470 409 H HN 0.002 nan 8.280 nan 0.000 0.560 410 P HA -0.173 nan 4.420 nan 0.000 0.218 410 P C 0.399 177.818 177.300 0.198 0.000 1.146 410 P CA 1.234 64.186 63.100 -0.246 0.000 0.813 410 P CB 0.099 31.526 31.700 -0.456 0.000 0.778 411 W N 0.353 121.751 121.300 0.163 0.000 3.067 411 W HA 0.527 5.188 4.660 0.001 0.000 0.417 411 W C 0.992 177.612 176.519 0.169 0.000 1.029 411 W CA -0.014 57.442 57.345 0.186 0.000 1.992 411 W CB -0.714 28.880 29.460 0.223 0.000 1.122 411 W HN 0.036 nan 8.180 nan 0.000 0.681 412 G N 1.519 110.535 108.800 0.360 0.000 2.796 412 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.571 412 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.571 412 G C 0.818 175.799 174.900 0.135 0.000 1.370 412 G CA -0.128 45.092 45.100 0.200 0.000 0.856 412 G HN 0.082 nan 8.290 nan 0.000 0.538 413 N N 0.233 118.968 118.700 0.059 0.000 2.027 413 N HA -0.148 4.592 4.740 -0.000 0.000 0.200 413 N C 2.883 178.353 175.510 -0.067 0.000 1.042 413 N CA 3.753 56.799 53.050 -0.007 0.000 0.871 413 N CB -0.812 37.659 38.487 -0.026 0.000 1.063 413 N HN 1.419 nan 8.380 nan 0.000 0.438 414 A N 1.423 124.195 122.820 -0.080 0.000 1.859 414 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 414 A C -0.131 177.378 177.584 -0.124 0.000 1.209 414 A CA 2.235 54.208 52.037 -0.108 0.000 0.639 414 A CB -1.836 17.108 19.000 -0.094 0.000 0.835 414 A HN 0.273 nan 8.150 nan 0.000 0.450 415 P HA -0.158 nan 4.420 nan 0.000 0.214 415 P C 1.783 178.770 177.300 -0.522 0.000 1.163 415 P CA 1.970 64.940 63.100 -0.218 0.000 0.889 415 P CB -0.591 31.062 31.700 -0.077 0.000 0.790 416 G N -0.185 108.286 108.800 -0.548 0.000 2.469 416 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 416 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 416 G C 1.634 176.377 174.900 -0.260 0.000 1.136 416 G CA 1.279 46.121 45.100 -0.431 0.000 0.759 416 G HN 0.377 nan 8.290 nan 0.000 0.562 417 A N 0.466 123.170 122.820 -0.193 0.000 1.842 417 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 417 A C 2.615 180.092 177.584 -0.178 0.000 1.206 417 A CA 2.554 54.502 52.037 -0.148 0.000 0.630 417 A CB -1.111 17.819 19.000 -0.118 0.000 0.839 417 A HN 0.476 nan 8.150 nan 0.000 0.447 418 V N 0.201 120.010 119.914 -0.175 0.000 2.311 418 V HA -0.391 3.729 4.120 -0.000 0.000 0.256 418 V C 2.970 178.936 176.094 -0.214 0.000 1.077 418 V CA 2.551 64.752 62.300 -0.164 0.000 1.067 418 V CB -1.783 29.953 31.823 -0.146 0.000 0.659 418 V HN 0.722 nan 8.190 nan 0.000 0.451 419 A N 0.741 123.390 122.820 -0.285 0.000 1.842 419 A HA -0.351 3.969 4.320 -0.000 0.000 0.217 419 A C 2.022 179.434 177.584 -0.287 0.000 1.206 419 A CA 2.769 54.622 52.037 -0.306 0.000 0.630 419 A CB -1.083 17.735 19.000 -0.303 0.000 0.839 419 A HN 0.658 nan 8.150 nan 0.000 0.447 420 N N -1.012 117.500 118.700 -0.314 0.000 2.149 420 N HA -0.191 4.548 4.740 -0.000 0.000 0.188 420 N C 1.856 177.228 175.510 -0.231 0.000 1.019 420 N CA 1.664 54.480 53.050 -0.390 0.000 0.857 420 N CB -0.227 37.917 38.487 -0.572 0.000 0.997 420 N HN 0.513 nan 8.380 nan 0.000 0.426 421 R N 1.044 121.444 120.500 -0.166 0.000 2.080 421 R HA -0.040 4.300 4.340 -0.000 0.000 0.236 421 R C 1.712 177.971 176.300 -0.069 0.000 1.137 421 R CA 1.272 57.317 56.100 -0.093 0.000 0.943 421 R CB -0.899 29.358 30.300 -0.072 0.000 0.846 421 R HN 0.051 nan 8.270 nan 0.000 0.431 422 V N 1.112 120.970 119.914 -0.093 0.000 2.255 422 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 422 V C 2.428 178.486 176.094 -0.060 0.000 1.051 422 V CA 2.056 64.326 62.300 -0.050 0.000 1.018 422 V CB -1.202 30.515 31.823 -0.177 0.000 0.641 422 V HN 0.579 nan 8.190 nan 0.000 0.445 423 A N -0.132 122.597 122.820 -0.151 0.000 1.884 423 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 423 A C 2.221 179.769 177.584 -0.060 0.000 1.197 423 A CA 2.651 54.600 52.037 -0.147 0.000 0.637 423 A CB -0.717 18.147 19.000 -0.227 0.000 0.827 423 A HN 0.493 nan 8.150 nan 0.000 0.450 424 L N -0.199 120.996 121.223 -0.048 0.000 2.005 424 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 424 L C 2.345 179.232 176.870 0.029 0.000 1.072 424 L CA 2.414 57.259 54.840 0.008 0.000 0.744 424 L CB -0.608 41.465 42.059 0.023 0.000 0.895 424 L HN 0.518 nan 8.230 nan 0.000 0.433 425 E N 0.040 120.258 120.200 0.030 0.000 2.160 425 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 425 E C 2.100 178.743 176.600 0.072 0.000 0.991 425 E CA 1.034 57.467 56.400 0.054 0.000 0.810 425 E CB -0.357 29.382 29.700 0.065 0.000 0.742 425 E HN 0.684 nan 8.360 nan 0.000 0.466 426 A N 1.508 124.382 122.820 0.090 0.000 1.841 426 A HA -0.232 4.087 4.320 -0.000 0.000 0.216 426 A C 2.567 180.195 177.584 0.073 0.000 1.199 426 A CA 1.569 53.674 52.037 0.113 0.000 0.621 426 A CB -1.141 17.927 19.000 0.113 0.000 0.835 426 A HN 0.382 nan 8.150 nan 0.000 0.445 427 C N -1.314 118.019 119.300 0.055 0.000 2.401 427 C HA -0.100 4.360 4.460 -0.000 0.000 0.276 427 C C 2.760 177.783 174.990 0.055 0.000 1.233 427 C CA 1.132 60.183 59.018 0.056 0.000 1.753 427 C CB -1.418 26.357 27.740 0.058 0.000 2.029 427 C HN 0.462 nan 8.230 nan 0.000 0.478 428 V N 0.957 120.903 119.914 0.054 0.000 2.343 428 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 428 V C 2.509 178.629 176.094 0.044 0.000 1.051 428 V CA 2.394 64.725 62.300 0.051 0.000 1.036 428 V CB -0.583 31.270 31.823 0.051 0.000 0.654 428 V HN 0.622 nan 8.190 nan 0.000 0.451 429 K N 0.155 120.581 120.400 0.043 0.000 2.097 429 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 429 K C 2.147 178.764 176.600 0.029 0.000 1.050 429 K CA 1.371 57.676 56.287 0.031 0.000 0.938 429 K CB -0.365 32.148 32.500 0.023 0.000 0.718 429 K HN 0.390 nan 8.250 nan 0.000 0.442 430 A N 1.795 124.638 122.820 0.037 0.000 1.908 430 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 430 A C 2.214 179.818 177.584 0.034 0.000 1.181 430 A CA 1.709 53.768 52.037 0.036 0.000 0.627 430 A CB -0.692 18.335 19.000 0.046 0.000 0.818 430 A HN 0.406 nan 8.150 nan 0.000 0.445 431 R N -0.303 120.219 120.500 0.038 0.000 2.073 431 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 431 R C 1.658 177.976 176.300 0.030 0.000 1.134 431 R CA 1.922 58.044 56.100 0.036 0.000 0.952 431 R CB -0.417 29.908 30.300 0.042 0.000 0.850 431 R HN 0.530 nan 8.270 nan 0.000 0.433 432 N N 0.999 119.717 118.700 0.029 0.000 2.244 432 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 432 N C 1.293 176.814 175.510 0.018 0.000 1.016 432 N CA 1.156 54.221 53.050 0.024 0.000 0.866 432 N CB -0.186 38.316 38.487 0.024 0.000 0.980 432 N HN 0.346 nan 8.380 nan 0.000 0.430 433 E N -0.402 119.808 120.200 0.017 0.000 2.418 433 E HA 0.031 4.380 4.350 -0.000 0.000 0.197 433 E C 1.001 177.610 176.600 0.014 0.000 1.026 433 E CA 0.746 57.153 56.400 0.012 0.000 0.862 433 E CB -0.127 29.579 29.700 0.010 0.000 0.799 433 E HN 0.423 nan 8.360 nan 0.000 0.518 434 G N 1.688 110.499 108.800 0.018 0.000 2.138 434 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.193 434 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.193 434 G C 0.307 175.219 174.900 0.020 0.000 0.998 434 G CA -0.141 44.969 45.100 0.018 0.000 0.668 434 G HN 0.118 nan 8.290 nan 0.000 0.516 435 R N 0.012 120.526 120.500 0.024 0.000 2.840 435 R HA 0.396 4.736 4.340 -0.000 0.000 0.282 435 R C -0.485 175.832 176.300 0.029 0.000 1.133 435 R CA 0.090 56.207 56.100 0.027 0.000 1.208 435 R CB 0.286 30.605 30.300 0.032 0.000 1.160 435 R HN 0.209 nan 8.270 nan 0.000 0.576 436 D N 1.196 121.614 120.400 0.030 0.000 2.462 436 D HA 0.051 4.691 4.640 -0.000 0.000 0.249 436 D C 1.130 177.452 176.300 0.037 0.000 1.117 436 D CA -0.466 53.552 54.000 0.030 0.000 0.900 436 D CB 0.704 41.519 40.800 0.025 0.000 1.039 436 D HN 0.177 nan 8.370 nan 0.000 0.516 437 L N 2.942 124.189 121.223 0.039 0.000 2.085 437 L HA -0.242 4.097 4.340 -0.000 0.000 0.218 437 L C 2.306 179.205 176.870 0.048 0.000 1.080 437 L CA 2.176 57.045 54.840 0.049 0.000 0.776 437 L CB -1.776 40.313 42.059 0.050 0.000 0.891 437 L HN 0.527 nan 8.230 nan 0.000 0.437 438 A N -1.172 121.669 122.820 0.036 0.000 1.841 438 A HA -0.208 4.112 4.320 -0.000 0.000 0.214 438 A C 2.220 179.825 177.584 0.036 0.000 1.195 438 A CA 1.466 53.524 52.037 0.034 0.000 0.611 438 A CB -0.426 18.587 19.000 0.021 0.000 0.835 438 A HN 0.517 nan 8.150 nan 0.000 0.443 439 Q N -0.488 119.330 119.800 0.030 0.000 1.941 439 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 439 Q C 1.807 177.830 176.000 0.039 0.000 0.982 439 Q CA 1.523 57.343 55.803 0.030 0.000 0.839 439 Q CB -0.271 28.481 28.738 0.024 0.000 0.904 439 Q HN 0.705 nan 8.270 nan 0.000 0.427 440 E N 0.563 120.788 120.200 0.041 0.000 2.515 440 E HA -0.098 4.252 4.350 -0.000 0.000 0.201 440 E C 1.547 178.187 176.600 0.066 0.000 1.071 440 E CA 0.111 56.541 56.400 0.050 0.000 0.880 440 E CB -0.226 29.500 29.700 0.044 0.000 0.828 440 E HN 0.433 nan 8.360 nan 0.000 0.540 441 G N 2.520 111.362 108.800 0.070 0.000 2.935 441 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.222 441 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.222 441 G C 1.244 176.215 174.900 0.119 0.000 1.258 441 G CA 1.051 46.206 45.100 0.092 0.000 0.772 441 G HN 0.324 nan 8.290 nan 0.000 0.765 442 N N 0.229 119.018 118.700 0.148 0.000 2.202 442 N HA -0.221 4.519 4.740 -0.000 0.000 0.197 442 N C 2.167 177.811 175.510 0.224 0.000 0.995 442 N CA 1.917 55.095 53.050 0.214 0.000 0.894 442 N CB -0.095 38.474 38.487 0.137 0.000 1.010 442 N HN 0.418 nan 8.380 nan 0.000 0.453 443 E N 0.694 120.979 120.200 0.143 0.000 2.051 443 E HA 0.064 4.414 4.350 -0.000 0.000 0.189 443 E C 2.106 178.777 176.600 0.117 0.000 0.979 443 E CA 0.368 56.843 56.400 0.124 0.000 0.803 443 E CB -0.213 29.539 29.700 0.087 0.000 0.761 443 E HN 0.333 nan 8.360 nan 0.000 0.451 444 I N 0.860 121.489 120.570 0.098 0.000 2.113 444 I HA -0.351 3.819 4.170 -0.000 0.000 0.242 444 I C 2.477 178.630 176.117 0.060 0.000 1.057 444 I CA 1.774 63.123 61.300 0.082 0.000 1.314 444 I CB -0.739 37.304 38.000 0.072 0.000 1.022 444 I HN 0.247 nan 8.210 nan 0.000 0.408 445 I N 0.264 120.855 120.570 0.035 0.000 2.333 445 I HA -0.183 3.986 4.170 -0.000 0.000 0.246 445 I C 2.644 178.679 176.117 -0.137 0.000 1.106 445 I CA 1.319 62.548 61.300 -0.118 0.000 1.411 445 I CB -0.551 37.308 38.000 -0.236 0.000 1.082 445 I HN -0.002 nan 8.210 nan 0.000 0.420 446 R N 1.138 121.656 120.500 0.030 0.000 2.119 446 R HA -0.245 4.095 4.340 -0.000 0.000 0.246 446 R C 2.164 178.517 176.300 0.088 0.000 1.146 446 R CA 2.327 58.519 56.100 0.154 0.000 0.962 446 R CB -0.490 29.974 30.300 0.274 0.000 0.863 446 R HN 0.614 nan 8.270 nan 0.000 0.442 447 E N -0.590 119.666 120.200 0.095 0.000 2.051 447 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 447 E C 1.991 178.701 176.600 0.183 0.000 0.991 447 E CA 1.300 57.776 56.400 0.127 0.000 0.799 447 E CB -0.180 29.601 29.700 0.134 0.000 0.748 447 E HN 0.550 nan 8.360 nan 0.000 0.449 448 A N 0.795 123.696 122.820 0.135 0.000 1.929 448 A HA -0.149 4.170 4.320 -0.000 0.000 0.216 448 A C 2.447 179.817 177.584 -0.357 0.000 1.176 448 A CA 1.038 53.098 52.037 0.037 0.000 0.628 448 A CB -0.728 18.306 19.000 0.057 0.000 0.816 448 A HN 0.391 nan 8.150 nan 0.000 0.444 449 c N 0.084 118.537 118.600 -0.244 0.000 2.403 449 c HA -0.133 4.437 4.570 -0.000 0.000 0.279 449 c C 2.593 176.570 174.090 -0.188 0.000 1.269 449 c CA 1.127 57.291 56.329 -0.275 0.000 1.774 449 c CB -1.140 41.247 42.510 -0.204 0.000 1.993 449 c HN 0.571 nan 8.230 nan 0.000 0.496 450 K N 0.669 121.034 120.400 -0.058 0.000 2.009 450 K HA -0.178 4.141 4.320 -0.000 0.000 0.210 450 K C 2.051 178.695 176.600 0.074 0.000 1.049 450 K CA 1.984 58.293 56.287 0.037 0.000 0.929 450 K CB -0.467 32.096 32.500 0.106 0.000 0.714 450 K HN 0.889 nan 8.250 nan 0.000 0.440 451 W N 0.849 122.145 121.300 -0.007 0.000 2.800 451 W HA 0.162 4.821 4.660 -0.001 0.000 0.249 451 W C 0.133 176.650 176.519 -0.003 0.000 1.294 451 W CA -0.056 57.288 57.345 -0.002 0.000 1.402 451 W CB -0.150 29.308 29.460 -0.004 0.000 1.126 451 W HN -0.162 nan 8.180 nan 0.000 0.652 452 S N 2.581 117.848 115.700 -0.723 0.000 2.474 452 S HA 0.342 4.812 4.470 -0.000 0.000 0.321 452 S C -1.327 173.080 174.600 -0.322 0.000 1.080 452 S CA -1.511 56.288 58.200 -0.668 0.000 1.106 452 S CB 1.586 64.130 63.200 -1.093 0.000 0.984 452 S HN -0.287 nan 8.310 nan 0.000 0.464 453 P HA -0.105 nan 4.420 nan 0.000 0.215 453 P C 0.807 177.997 177.300 -0.183 0.000 1.157 453 P CA 1.258 64.377 63.100 0.032 0.000 0.868 453 P CB 0.193 32.056 31.700 0.271 0.000 0.788 454 E N -0.419 119.654 120.200 -0.212 0.000 2.047 454 E HA -0.121 4.228 4.350 -0.000 0.000 0.191 454 E C 1.922 178.285 176.600 -0.395 0.000 0.987 454 E CA 0.581 56.705 56.400 -0.461 0.000 0.799 454 E CB -1.619 27.891 29.700 -0.317 0.000 0.752 454 E HN 0.106 nan 8.360 nan 0.000 0.449 455 L N 0.897 121.895 121.223 -0.375 0.000 2.042 455 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 455 L C 2.020 178.693 176.870 -0.328 0.000 1.076 455 L CA 2.125 56.742 54.840 -0.372 0.000 0.749 455 L CB -1.084 40.691 42.059 -0.472 0.000 0.893 455 L HN 0.104 nan 8.230 nan 0.000 0.432 456 A N -0.123 122.513 122.820 -0.307 0.000 1.851 456 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 456 A C 2.526 179.963 177.584 -0.244 0.000 1.195 456 A CA 2.398 54.300 52.037 -0.225 0.000 0.622 456 A CB -1.462 17.444 19.000 -0.157 0.000 0.831 456 A HN 0.629 nan 8.150 nan 0.000 0.444 457 A N -0.239 122.363 122.820 -0.364 0.000 1.940 457 A HA -0.061 4.259 4.320 -0.000 0.000 0.221 457 A C 2.489 179.759 177.584 -0.523 0.000 1.190 457 A CA 2.935 54.645 52.037 -0.545 0.000 0.647 457 A CB -1.222 17.108 19.000 -1.115 0.000 0.821 457 A HN 1.234 nan 8.150 nan 0.000 0.457 458 A N -0.698 121.921 122.820 -0.336 0.000 1.824 458 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 458 A C 2.343 179.843 177.584 -0.140 0.000 1.209 458 A CA 1.772 53.702 52.037 -0.177 0.000 0.614 458 A CB -1.584 17.438 19.000 0.037 0.000 0.852 458 A HN 0.823 nan 8.150 nan 0.000 0.447 459 c N -0.398 118.128 118.600 -0.124 0.000 2.369 459 c HA -0.185 4.385 4.570 -0.000 0.000 0.273 459 c C 2.650 176.959 174.090 0.365 0.000 1.172 459 c CA 1.326 57.720 56.329 0.108 0.000 1.791 459 c CB -1.539 40.986 42.510 0.025 0.000 2.086 459 c HN 0.613 nan 8.230 nan 0.000 0.459 460 E N 0.637 120.857 120.200 0.033 0.000 2.038 460 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 460 E C 2.350 178.859 176.600 -0.152 0.000 1.000 460 E CA 1.307 57.677 56.400 -0.049 0.000 0.803 460 E CB -0.656 28.984 29.700 -0.101 0.000 0.750 460 E HN 0.585 nan 8.360 nan 0.000 0.448 461 V N -0.051 119.652 119.914 -0.352 0.000 2.295 461 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 461 V C 1.809 177.548 176.094 -0.593 0.000 1.049 461 V CA 1.479 63.408 62.300 -0.618 0.000 1.024 461 V CB -0.412 30.684 31.823 -1.213 0.000 0.648 461 V HN 0.342 nan 8.190 nan 0.000 0.447 462 W N 0.135 121.397 121.300 -0.064 0.000 3.239 462 W HA 0.292 4.952 4.660 -0.000 0.000 0.348 462 W C 1.945 178.344 176.519 -0.199 0.000 1.183 462 W CA -0.598 56.615 57.345 -0.221 0.000 1.819 462 W CB -0.370 28.744 29.460 -0.578 0.000 1.091 462 W HN 0.322 nan 8.180 nan 0.000 0.629 463 K N 1.375 121.787 120.400 0.021 0.000 2.015 463 K HA -0.239 4.081 4.320 -0.000 0.000 0.220 463 K C 1.204 177.552 176.600 -0.421 0.000 1.055 463 K CA 1.939 57.960 56.287 -0.443 0.000 0.951 463 K CB 0.103 32.429 32.500 -0.290 0.000 0.725 463 K HN -0.188 nan 8.250 nan 0.000 0.449 464 E N 0.778 120.837 120.200 -0.235 0.000 2.505 464 E HA -0.016 4.334 4.350 -0.000 0.000 0.197 464 E C -0.022 176.507 176.600 -0.119 0.000 1.111 464 E CA 0.336 56.628 56.400 -0.181 0.000 0.887 464 E CB -0.171 29.450 29.700 -0.133 0.000 0.913 464 E HN 0.312 nan 8.360 nan 0.000 0.517 465 I N 1.175 121.717 120.570 -0.047 0.000 2.353 465 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 465 I C 0.577 176.691 176.117 -0.005 0.000 0.992 465 I CA -0.912 60.388 61.300 -0.001 0.000 1.268 465 I CB 0.837 38.973 38.000 0.227 0.000 1.387 465 I HN -0.268 nan 8.210 nan 0.000 0.478 466 V N 3.903 123.664 119.914 -0.256 0.000 3.206 466 V HA 0.626 4.746 4.120 -0.000 0.000 0.305 466 V C -1.718 174.099 176.094 -0.461 0.000 1.257 466 V CA -0.742 61.455 62.300 -0.172 0.000 1.057 466 V CB 2.662 34.446 31.823 -0.065 0.000 1.075 466 V HN 0.449 nan 8.190 nan 0.000 0.443 467 F N 1.929 122.004 119.950 0.209 0.000 2.564 467 F HA 0.515 5.041 4.527 -0.001 0.000 0.329 467 F C 0.118 176.082 175.800 0.273 0.000 1.458 467 F CA -0.547 57.626 58.000 0.288 0.000 1.117 467 F CB 0.398 39.593 39.000 0.324 0.000 1.383 467 F HN 0.665 nan 8.300 nan 0.000 0.571 468 N N 1.846 120.621 118.700 0.126 0.000 2.434 468 N HA 0.600 5.340 4.740 -0.000 0.000 0.272 468 N C -1.437 173.986 175.510 -0.146 0.000 1.040 468 N CA -0.013 53.082 53.050 0.076 0.000 0.956 468 N CB 0.504 38.990 38.487 -0.002 0.000 1.108 468 N HN 0.106 nan 8.380 nan 0.000 0.481 469 F N 0.820 120.826 119.950 0.093 0.000 2.654 469 F HA 0.407 4.933 4.527 -0.001 0.000 0.314 469 F C -0.130 175.709 175.800 0.064 0.000 1.116 469 F CA -1.412 56.633 58.000 0.076 0.000 1.017 469 F CB 0.881 39.931 39.000 0.083 0.000 1.285 469 F HN 0.473 nan 8.300 nan 0.000 0.448 470 A N 2.333 125.302 122.820 0.248 0.000 2.496 470 A HA 0.549 4.868 4.320 -0.000 0.000 0.278 470 A C 0.632 178.299 177.584 0.138 0.000 1.137 470 A CA 0.299 52.428 52.037 0.153 0.000 0.805 470 A CB -0.758 18.310 19.000 0.114 0.000 1.077 470 A HN 1.142 nan 8.150 nan 0.000 0.513 471 A N 2.967 125.857 122.820 0.116 0.000 2.492 471 A HA 0.408 4.728 4.320 -0.000 0.000 0.236 471 A C 1.134 178.762 177.584 0.073 0.000 1.078 471 A CA 0.345 52.436 52.037 0.091 0.000 0.773 471 A CB 0.115 19.167 19.000 0.087 0.000 1.023 471 A HN 1.015 nan 8.150 nan 0.000 0.504 472 V N 0.979 120.931 119.914 0.064 0.000 3.608 472 V HA 0.575 4.694 4.120 -0.000 0.000 0.203 472 V C 1.012 177.153 176.094 0.079 0.000 1.154 472 V CA 1.414 63.750 62.300 0.061 0.000 1.386 472 V CB -0.600 31.248 31.823 0.042 0.000 1.486 472 V HN 1.315 nan 8.190 nan 0.000 0.491 473 D N 0.000 120.454 120.400 0.091 0.000 6.856 473 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 473 D CA 0.000 nan 54.000 nan 0.000 0.868 473 D CB 0.000 nan 40.800 nan 0.000 0.688 473 D HN 0.000 nan 8.370 nan 0.000 0.683