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 2aw5_1_B DATA FIRST_RESID 15 DATA SEQUENCE GYLLTRNPHL NKDLAFTLEE RQQLNIHGLL PPSFNSQEIQ VLRVVKNFEH DATA SEQUENCE LNSDFDRYLL LMDLQDRNEK LFYRVLTSDI EKFMPIVYTP TVGLACQQYS DATA SEQUENCE LVFRKPRGLF ITIHDRGHIA SVLNAWPEDV IKAIVVTDGE RILGLGDLGC DATA SEQUENCE NGMGIPVGKL ALYTACGGMN PQECLPVILD VGTENEELLK DPLYIGLRQR DATA SEQUENCE RVRGSEYDDF LDEFMEAVSS KYGMNCLIQF EDFANVNAFR LLNKYRNQYC DATA SEQUENCE TFNDDIQGTA SVAVAGLLAA LRITKNKLSD QTILFQGAGE AALGIAHLIV DATA SEQUENCE MALEKEGLPK EKAIKKIWLV DSKGLIVKGX XXXXQEKEKF AHEHEEMKNL DATA SEQUENCE EAIVQEIKPT ALIGVAAIGG AFSEQILKDM AAFNERPIIF ALSNPTSKAE DATA SEQUENCE CSAEQCYKIT KGRAIFASGS PFDPVTLPNG QTLYPGQGNN SYVFPGVALG DATA SEQUENCE VVACGLRQIT DNIFLTTAEV IAQQVSDKHL EEGRLYPPLN TIRDVSLKIA DATA SEQUENCE EKIVKDAYQE KTATVYPEPQ NKEAFVRSQM YSTDYDQILP D 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 15 G C 0.000 174.858 174.900 -0.069 0.000 0.946 15 G CA 0.000 45.060 45.100 -0.067 0.000 0.502 16 Y N 1.379 121.647 120.300 -0.054 0.000 2.114 16 Y HA -0.073 4.483 4.550 0.009 0.000 0.282 16 Y C 2.902 178.783 175.900 -0.031 0.000 1.165 16 Y CA 2.668 60.740 58.100 -0.045 0.000 1.148 16 Y CB -0.944 37.494 38.460 -0.037 0.000 0.972 16 Y HN 0.390 nan 8.280 nan 0.000 0.504 17 L N -0.002 121.207 121.223 -0.025 0.000 2.129 17 L HA -0.213 4.132 4.340 0.009 0.000 0.212 17 L C 2.793 179.662 176.870 -0.002 0.000 1.087 17 L CA 1.930 56.762 54.840 -0.014 0.000 0.757 17 L CB -0.769 41.283 42.059 -0.011 0.000 0.896 17 L HN 0.420 nan 8.230 nan 0.000 0.434 18 L N -0.477 120.745 121.223 -0.002 0.000 2.012 18 L HA -0.252 4.094 4.340 0.009 0.000 0.210 18 L C 2.584 179.491 176.870 0.061 0.000 1.073 18 L CA 1.746 56.604 54.840 0.030 0.000 0.748 18 L CB -0.366 41.694 42.059 0.001 0.000 0.891 18 L HN 0.190 nan 8.230 nan 0.000 0.431 19 T N -0.345 114.228 114.554 0.033 0.000 2.751 19 T HA -0.220 4.136 4.350 0.009 0.000 0.268 19 T C 1.719 176.437 174.700 0.030 0.000 1.045 19 T CA 1.307 63.439 62.100 0.053 0.000 1.142 19 T CB -0.184 68.688 68.868 0.008 0.000 0.851 19 T HN 0.235 nan 8.240 nan 0.000 0.474 20 R N 1.253 121.756 120.500 0.005 0.000 2.317 20 R HA 0.203 4.548 4.340 0.009 0.000 0.208 20 R C 0.632 176.913 176.300 -0.031 0.000 0.914 20 R CA -0.125 55.963 56.100 -0.019 0.000 1.060 20 R CB -0.571 29.713 30.300 -0.026 0.000 1.015 20 R HN 0.292 nan 8.270 nan 0.000 0.498 21 N N 2.588 121.286 118.700 -0.003 0.000 2.437 21 N HA 0.068 4.814 4.740 0.009 0.000 0.243 21 N C -1.812 173.668 175.510 -0.051 0.000 1.041 21 N CA -1.719 51.326 53.050 -0.008 0.000 0.940 21 N CB 1.681 40.205 38.487 0.062 0.000 1.133 21 N HN -0.077 nan 8.380 nan 0.000 0.506 22 P HA -0.077 nan 4.420 nan 0.000 0.225 22 P C 0.641 177.825 177.300 -0.193 0.000 1.156 22 P CA 1.128 64.088 63.100 -0.234 0.000 0.787 22 P CB 0.212 31.694 31.700 -0.363 0.000 0.802 23 H N -0.667 118.444 119.070 0.068 0.000 2.502 23 H HA 0.158 4.719 4.556 0.009 0.000 0.283 23 H C 1.897 177.305 175.328 0.134 0.000 1.015 23 H CA 0.871 56.987 56.048 0.114 0.000 1.298 23 H CB -0.136 29.679 29.762 0.089 0.000 1.411 23 H HN 0.230 nan 8.280 nan 0.000 0.556 24 L N -0.010 121.330 121.223 0.196 0.000 2.642 24 L HA 0.100 4.445 4.340 0.009 0.000 0.233 24 L C 0.650 177.602 176.870 0.135 0.000 1.077 24 L CA -0.234 54.714 54.840 0.178 0.000 0.879 24 L CB 0.174 42.342 42.059 0.182 0.000 1.151 24 L HN -0.031 nan 8.230 nan 0.000 0.495 25 N N 1.408 120.177 118.700 0.114 0.000 2.468 25 N HA -0.011 4.734 4.740 0.009 0.000 0.265 25 N C 0.498 175.898 175.510 -0.183 0.000 1.199 25 N CA 0.578 53.683 53.050 0.093 0.000 0.928 25 N CB 0.627 39.178 38.487 0.107 0.000 1.059 25 N HN 0.054 nan 8.380 nan 0.000 0.467 26 K N 2.263 122.206 120.400 -0.762 0.000 2.358 26 K HA 0.067 4.392 4.320 0.009 0.000 0.197 26 K C -0.076 176.150 176.600 -0.622 0.000 1.025 26 K CA -0.331 55.271 56.287 -1.142 0.000 1.104 26 K CB 0.086 31.370 32.500 -2.027 0.000 0.855 26 K HN 0.653 nan 8.250 nan 0.000 0.531 27 D N 1.127 121.392 120.400 -0.225 0.000 3.584 27 D HA -0.315 4.330 4.640 0.009 0.000 0.153 27 D C 1.086 177.390 176.300 0.007 0.000 0.949 27 D CA 1.639 55.637 54.000 -0.004 0.000 1.011 27 D CB -0.708 40.085 40.800 -0.012 0.000 0.476 27 D HN 0.085 nan 8.370 nan 0.000 0.460 28 L N 0.912 122.124 121.223 -0.018 0.000 2.622 28 L HA 0.036 4.382 4.340 0.009 0.000 0.233 28 L C 2.444 179.320 176.870 0.011 0.000 1.156 28 L CA 0.820 55.654 54.840 -0.010 0.000 0.866 28 L CB -0.423 41.615 42.059 -0.035 0.000 0.980 28 L HN 0.370 nan 8.230 nan 0.000 0.448 29 A N -0.372 122.382 122.820 -0.109 0.000 2.123 29 A HA 0.062 4.388 4.320 0.009 0.000 0.214 29 A C 0.791 178.286 177.584 -0.148 0.000 1.152 29 A CA -0.200 51.747 52.037 -0.151 0.000 0.728 29 A CB -0.375 18.416 19.000 -0.348 0.000 0.814 29 A HN 0.219 nan 8.150 nan 0.000 0.464 30 F N 1.124 121.027 119.950 -0.079 0.000 2.602 30 F HA 0.126 4.658 4.527 0.009 0.000 0.385 30 F C 1.473 177.367 175.800 0.157 0.000 1.063 30 F CA 0.566 58.563 58.000 -0.006 0.000 1.233 30 F CB 0.559 39.561 39.000 0.003 0.000 1.067 30 F HN 0.037 nan 8.300 nan 0.000 0.564 31 T N 3.345 118.077 114.554 0.297 0.000 2.828 31 T HA 0.344 4.700 4.350 0.009 0.000 0.290 31 T C 1.466 176.262 174.700 0.161 0.000 1.019 31 T CA -0.163 62.030 62.100 0.156 0.000 1.031 31 T CB 0.994 69.859 68.868 -0.004 0.000 1.001 31 T HN 0.586 nan 8.240 nan 0.000 0.531 32 L N 2.032 123.198 121.223 -0.095 0.000 2.051 32 L HA 0.054 4.400 4.340 0.009 0.000 0.214 32 L C 3.011 179.862 176.870 -0.031 0.000 1.076 32 L CA 3.084 57.932 54.840 0.013 0.000 0.758 32 L CB -2.540 39.392 42.059 -0.210 0.000 0.890 32 L HN 1.069 nan 8.230 nan 0.000 0.433 33 E N -0.446 119.713 120.200 -0.068 0.000 2.031 33 E HA -0.291 4.064 4.350 0.009 0.000 0.193 33 E C 2.015 178.607 176.600 -0.013 0.000 0.994 33 E CA 1.212 57.580 56.400 -0.052 0.000 0.800 33 E CB -0.862 28.808 29.700 -0.050 0.000 0.752 33 E HN 0.866 nan 8.360 nan 0.000 0.447 34 E N -0.237 119.983 120.200 0.034 0.000 2.049 34 E HA -0.221 4.134 4.350 0.009 0.000 0.198 34 E C 2.548 179.139 176.600 -0.015 0.000 1.007 34 E CA 1.316 57.753 56.400 0.062 0.000 0.809 34 E CB -0.170 29.655 29.700 0.207 0.000 0.749 34 E HN 0.411 nan 8.360 nan 0.000 0.450 35 R N 0.583 121.098 120.500 0.025 0.000 2.080 35 R HA -0.199 4.146 4.340 0.009 0.000 0.236 35 R C 2.525 178.822 176.300 -0.006 0.000 1.137 35 R CA 1.773 57.862 56.100 -0.018 0.000 0.943 35 R CB -0.312 30.102 30.300 0.191 0.000 0.846 35 R HN 0.265 nan 8.270 nan 0.000 0.431 36 Q N -0.040 119.754 119.800 -0.010 0.000 2.020 36 Q HA -0.210 4.136 4.340 0.009 0.000 0.202 36 Q C 2.556 178.531 176.000 -0.041 0.000 0.982 36 Q CA 2.034 57.810 55.803 -0.045 0.000 0.838 36 Q CB -0.273 28.386 28.738 -0.132 0.000 0.899 36 Q HN 0.507 nan 8.270 nan 0.000 0.423 37 Q N 0.665 120.439 119.800 -0.043 0.000 2.500 37 Q HA -0.007 4.339 4.340 0.009 0.000 0.213 37 Q C 1.580 177.555 176.000 -0.042 0.000 0.974 37 Q CA 1.027 56.809 55.803 -0.035 0.000 0.918 37 Q CB -0.439 28.285 28.738 -0.024 0.000 0.980 37 Q HN 0.428 nan 8.270 nan 0.000 0.505 38 L N -1.538 119.643 121.223 -0.069 0.000 2.766 38 L HA 0.246 4.591 4.340 0.009 0.000 0.242 38 L C 1.267 178.080 176.870 -0.094 0.000 1.136 38 L CA 0.367 55.148 54.840 -0.098 0.000 0.933 38 L CB -0.227 41.721 42.059 -0.185 0.000 1.241 38 L HN 0.624 nan 8.230 nan 0.000 0.522 39 N N 1.381 120.043 118.700 -0.063 0.000 2.740 39 N HA -0.218 4.528 4.740 0.009 0.000 0.248 39 N C 0.615 176.086 175.510 -0.064 0.000 1.062 39 N CA 1.325 54.350 53.050 -0.043 0.000 0.704 39 N CB -2.545 35.920 38.487 -0.036 0.000 0.968 39 N HN 0.684 nan 8.380 nan 0.000 0.547 40 I N -5.464 115.051 120.570 -0.092 0.000 4.240 40 I HA 0.319 4.494 4.170 0.009 0.000 0.331 40 I C 0.537 176.618 176.117 -0.060 0.000 1.381 40 I CA -0.382 60.848 61.300 -0.117 0.000 1.136 40 I CB 0.174 38.027 38.000 -0.245 0.000 1.137 40 I HN 0.395 nan 8.210 nan 0.000 0.411 41 H N 2.479 121.498 119.070 -0.083 0.000 3.004 41 H HA 0.421 4.982 4.556 0.009 0.000 0.316 41 H C 1.219 176.528 175.328 -0.032 0.000 1.014 41 H CA 1.694 57.721 56.048 -0.036 0.000 1.454 41 H CB 0.612 30.369 29.762 -0.007 0.000 1.472 41 H HN 0.535 nan 8.280 nan 0.000 0.571 42 G N 3.363 111.863 108.800 -0.501 0.000 2.376 42 G HA2 -0.258 3.708 3.960 0.009 0.000 0.208 42 G HA3 -0.258 3.708 3.960 0.009 0.000 0.208 42 G C 1.012 175.799 174.900 -0.188 0.000 1.032 42 G CA 0.157 45.071 45.100 -0.311 0.000 0.641 42 G HN 0.601 nan 8.290 nan 0.000 0.503 43 L N 0.949 122.086 121.223 -0.142 0.000 2.610 43 L HA 0.477 4.823 4.340 0.009 0.000 0.232 43 L C 0.790 177.605 176.870 -0.090 0.000 1.149 43 L CA 0.463 55.244 54.840 -0.098 0.000 0.872 43 L CB -0.100 41.911 42.059 -0.079 0.000 0.992 43 L HN 0.212 nan 8.230 nan 0.000 0.447 44 L N -0.559 120.594 121.223 -0.117 0.000 2.371 44 L HA 0.506 4.851 4.340 0.009 0.000 0.262 44 L C -2.208 174.576 176.870 -0.143 0.000 1.006 44 L CA -1.926 52.855 54.840 -0.100 0.000 0.818 44 L CB 2.286 44.310 42.059 -0.059 0.000 1.354 44 L HN -0.204 nan 8.230 nan 0.000 0.415 45 P HA 0.174 nan 4.420 nan 0.000 0.272 45 P C -2.564 174.594 177.300 -0.237 0.000 1.230 45 P CA -1.305 61.705 63.100 -0.151 0.000 0.788 45 P CB -0.163 31.469 31.700 -0.114 0.000 0.949 46 P HA 0.168 nan 4.420 nan 0.000 0.218 46 P C -0.708 176.341 177.300 -0.418 0.000 1.793 46 P CA 0.050 62.971 63.100 -0.299 0.000 0.941 46 P CB -0.092 31.544 31.700 -0.106 0.000 1.919 47 S N 0.656 116.002 115.700 -0.590 0.000 2.542 47 S HA 0.667 5.143 4.470 0.009 0.000 0.293 47 S C -0.890 173.259 174.600 -0.751 0.000 1.089 47 S CA -0.346 57.566 58.200 -0.481 0.000 0.961 47 S CB 0.953 64.030 63.200 -0.205 0.000 1.062 47 S HN 0.053 nan 8.310 nan 0.000 0.483 48 F N 2.192 122.164 119.950 0.036 0.000 2.434 48 F HA 0.461 4.993 4.527 0.009 0.000 0.355 48 F C 0.138 175.955 175.800 0.028 0.000 1.115 48 F CA -0.960 57.062 58.000 0.036 0.000 1.010 48 F CB 0.958 39.982 39.000 0.040 0.000 1.234 48 F HN 0.303 nan 8.300 nan 0.000 0.439 49 N N 1.423 120.202 118.700 0.132 0.000 2.456 49 N HA 0.311 5.056 4.740 0.009 0.000 0.288 49 N C -0.169 175.404 175.510 0.105 0.000 1.059 49 N CA -0.504 52.602 53.050 0.094 0.000 0.946 49 N CB 1.694 40.213 38.487 0.052 0.000 1.150 49 N HN 0.570 nan 8.380 nan 0.000 0.479 50 S N 0.728 116.484 115.700 0.094 0.000 2.596 50 S HA 0.017 4.493 4.470 0.009 0.000 0.260 50 S C 1.150 175.810 174.600 0.101 0.000 1.336 50 S CA -0.333 57.923 58.200 0.093 0.000 0.993 50 S CB 0.971 64.209 63.200 0.063 0.000 0.923 50 S HN 0.590 nan 8.310 nan 0.000 0.567 51 Q N 0.769 120.634 119.800 0.109 0.000 2.135 51 Q HA -0.142 4.203 4.340 0.009 0.000 0.204 51 Q C 2.756 178.766 176.000 0.016 0.000 0.981 51 Q CA 1.966 57.806 55.803 0.063 0.000 0.856 51 Q CB -0.856 27.855 28.738 -0.045 0.000 0.902 51 Q HN 0.971 nan 8.270 nan 0.000 0.425 52 E N 0.649 120.857 120.200 0.013 0.000 2.049 52 E HA -0.247 4.109 4.350 0.009 0.000 0.198 52 E C 1.622 178.230 176.600 0.012 0.000 1.007 52 E CA 1.754 58.157 56.400 0.005 0.000 0.809 52 E CB -0.875 28.831 29.700 0.010 0.000 0.749 52 E HN 0.319 nan 8.360 nan 0.000 0.450 53 I N 1.315 121.901 120.570 0.026 0.000 2.286 53 I HA -0.220 3.956 4.170 0.009 0.000 0.248 53 I C 2.753 178.884 176.117 0.023 0.000 1.115 53 I CA 1.645 62.961 61.300 0.027 0.000 1.392 53 I CB -0.508 37.513 38.000 0.036 0.000 1.065 53 I HN 0.388 nan 8.210 nan 0.000 0.418 54 Q N -0.578 119.240 119.800 0.031 0.000 2.061 54 Q HA -0.185 4.160 4.340 0.009 0.000 0.204 54 Q C 2.400 178.401 176.000 0.002 0.000 0.984 54 Q CA 1.865 57.685 55.803 0.027 0.000 0.846 54 Q CB -0.307 28.465 28.738 0.057 0.000 0.902 54 Q HN 0.354 nan 8.270 nan 0.000 0.421 55 V N 0.917 120.822 119.914 -0.015 0.000 2.295 55 V HA -0.265 3.861 4.120 0.009 0.000 0.246 55 V C 2.184 178.262 176.094 -0.026 0.000 1.049 55 V CA 1.534 63.807 62.300 -0.046 0.000 1.024 55 V CB -0.606 31.182 31.823 -0.057 0.000 0.648 55 V HN 0.345 nan 8.190 nan 0.000 0.447 56 L N 0.490 121.709 121.223 -0.006 0.000 2.021 56 L HA -0.248 4.098 4.340 0.009 0.000 0.215 56 L C 2.583 179.459 176.870 0.011 0.000 1.074 56 L CA 2.485 57.328 54.840 0.006 0.000 0.760 56 L CB -0.760 41.307 42.059 0.014 0.000 0.889 56 L HN 0.256 nan 8.230 nan 0.000 0.433 57 R N -1.114 119.394 120.500 0.013 0.000 2.070 57 R HA -0.139 4.206 4.340 0.009 0.000 0.233 57 R C 2.128 178.444 176.300 0.026 0.000 1.137 57 R CA 2.031 58.145 56.100 0.022 0.000 0.945 57 R CB -0.428 29.884 30.300 0.021 0.000 0.845 57 R HN 0.355 nan 8.270 nan 0.000 0.430 58 V N 0.392 120.313 119.914 0.012 0.000 2.255 58 V HA -0.256 3.870 4.120 0.009 0.000 0.247 58 V C 2.398 178.523 176.094 0.051 0.000 1.051 58 V CA 1.884 64.194 62.300 0.017 0.000 1.018 58 V CB -0.337 31.464 31.823 -0.037 0.000 0.641 58 V HN 0.231 nan 8.190 nan 0.000 0.445 59 V N -0.672 119.252 119.914 0.017 0.000 2.407 59 V HA -0.272 3.854 4.120 0.009 0.000 0.248 59 V C 2.433 178.576 176.094 0.080 0.000 1.055 59 V CA 1.981 64.313 62.300 0.053 0.000 1.049 59 V CB -0.673 31.161 31.823 0.019 0.000 0.662 59 V HN 0.507 nan 8.190 nan 0.000 0.455 60 K N 0.248 120.653 120.400 0.008 0.000 1.991 60 K HA -0.250 4.076 4.320 0.009 0.000 0.212 60 K C 2.037 178.500 176.600 -0.229 0.000 1.049 60 K CA 2.317 58.544 56.287 -0.101 0.000 0.932 60 K CB -0.324 32.160 32.500 -0.027 0.000 0.717 60 K HN 0.498 nan 8.250 nan 0.000 0.441 61 N N 0.090 118.778 118.700 -0.021 0.000 2.061 61 N HA -0.206 4.540 4.740 0.009 0.000 0.193 61 N C 1.580 177.135 175.510 0.075 0.000 1.030 61 N CA 1.566 54.652 53.050 0.061 0.000 0.856 61 N CB -0.281 38.269 38.487 0.105 0.000 1.023 61 N HN 0.162 nan 8.380 nan 0.000 0.424 62 F N 1.574 121.509 119.950 -0.025 0.000 2.091 62 F HA -0.206 4.326 4.527 0.009 0.000 0.299 62 F C 2.250 178.048 175.800 -0.004 0.000 1.103 62 F CA 1.420 59.439 58.000 0.030 0.000 1.228 62 F CB -0.031 39.031 39.000 0.103 0.000 0.984 62 F HN -0.022 nan 8.300 nan 0.000 0.477 63 E N -0.624 119.674 120.200 0.163 0.000 2.347 63 E HA -0.153 4.202 4.350 0.009 0.000 0.196 63 E C 0.760 177.326 176.600 -0.056 0.000 1.008 63 E CA 1.027 57.460 56.400 0.056 0.000 0.852 63 E CB -0.262 29.477 29.700 0.064 0.000 0.783 63 E HN 0.746 nan 8.360 nan 0.000 0.505 64 H N -2.282 116.811 119.070 0.039 0.000 2.475 64 H HA 0.378 4.940 4.556 0.009 0.000 0.276 64 H C -0.160 175.158 175.328 -0.017 0.000 1.126 64 H CA -0.596 55.457 56.048 0.008 0.000 1.023 64 H CB -1.028 28.747 29.762 0.021 0.000 1.669 64 H HN -0.056 nan 8.280 nan 0.000 0.573 65 L N 0.092 121.360 121.223 0.075 0.000 2.453 65 L HA 0.167 4.513 4.340 0.009 0.000 0.261 65 L C 1.020 177.882 176.870 -0.014 0.000 1.179 65 L CA -0.325 54.523 54.840 0.013 0.000 0.813 65 L CB 0.662 42.690 42.059 -0.051 0.000 1.110 65 L HN 0.204 nan 8.230 nan 0.000 0.466 66 N N -0.801 117.896 118.700 -0.005 0.000 2.300 66 N HA -0.055 4.690 4.740 0.009 0.000 0.179 66 N C -0.066 175.440 175.510 -0.005 0.000 1.016 66 N CA 0.598 53.648 53.050 0.001 0.000 0.876 66 N CB 0.305 38.800 38.487 0.013 0.000 0.979 66 N HN 0.690 nan 8.380 nan 0.000 0.432 67 S N -1.691 114.008 115.700 -0.003 0.000 2.632 67 S HA 0.379 4.855 4.470 0.009 0.000 0.289 67 S C -0.019 174.588 174.600 0.013 0.000 1.115 67 S CA -0.853 57.360 58.200 0.023 0.000 0.889 67 S CB 1.697 64.947 63.200 0.084 0.000 1.116 67 S HN -0.124 nan 8.310 nan 0.000 0.486 68 D N 0.471 120.898 120.400 0.045 0.000 2.178 68 D HA -0.027 4.618 4.640 0.009 0.000 0.201 68 D C 1.279 177.703 176.300 0.207 0.000 0.980 68 D CA 1.084 55.128 54.000 0.074 0.000 0.842 68 D CB -0.281 40.568 40.800 0.083 0.000 0.948 68 D HN 0.604 nan 8.370 nan 0.000 0.472 69 F N 1.385 121.351 119.950 0.026 0.000 2.113 69 F HA -0.184 4.349 4.527 0.009 0.000 0.297 69 F C 1.884 177.755 175.800 0.120 0.000 1.103 69 F CA 0.823 58.858 58.000 0.058 0.000 1.248 69 F CB 0.343 39.349 39.000 0.010 0.000 0.999 69 F HN -0.188 nan 8.300 nan 0.000 0.475 70 D N 0.437 120.866 120.400 0.049 0.000 2.123 70 D HA -0.195 4.451 4.640 0.009 0.000 0.196 70 D C 2.223 178.507 176.300 -0.026 0.000 0.992 70 D CA 1.317 55.275 54.000 -0.070 0.000 0.833 70 D CB -0.426 40.352 40.800 -0.037 0.000 0.954 70 D HN 0.352 nan 8.370 nan 0.000 0.455 71 R N -0.317 120.177 120.500 -0.010 0.000 2.091 71 R HA -0.182 4.164 4.340 0.009 0.000 0.238 71 R C 2.405 178.830 176.300 0.208 0.000 1.136 71 R CA 1.128 57.237 56.100 0.015 0.000 0.959 71 R CB -0.515 29.656 30.300 -0.215 0.000 0.856 71 R HN 0.337 nan 8.270 nan 0.000 0.437 72 Y N 1.279 121.651 120.300 0.119 0.000 2.181 72 Y HA -0.172 4.384 4.550 0.009 0.000 0.288 72 Y C 1.784 177.724 175.900 0.067 0.000 1.146 72 Y CA 1.438 59.638 58.100 0.166 0.000 1.164 72 Y CB -0.089 38.519 38.460 0.245 0.000 0.982 72 Y HN -0.048 nan 8.280 nan 0.000 0.515 73 L N -0.490 120.759 121.223 0.043 0.000 2.093 73 L HA -0.164 4.182 4.340 0.009 0.000 0.208 73 L C 2.416 179.215 176.870 -0.118 0.000 1.085 73 L CA 0.940 55.703 54.840 -0.128 0.000 0.755 73 L CB -0.665 41.275 42.059 -0.198 0.000 0.904 73 L HN 0.340 nan 8.230 nan 0.000 0.435 74 L N -0.139 121.060 121.223 -0.041 0.000 2.042 74 L HA -0.220 4.126 4.340 0.009 0.000 0.210 74 L C 2.258 179.123 176.870 -0.008 0.000 1.076 74 L CA 1.833 56.670 54.840 -0.006 0.000 0.749 74 L CB -0.263 41.836 42.059 0.067 0.000 0.893 74 L HN 0.117 nan 8.230 nan 0.000 0.432 75 L N -1.822 119.412 121.223 0.020 0.000 2.095 75 L HA -0.114 4.232 4.340 0.009 0.000 0.204 75 L C 2.417 179.265 176.870 -0.036 0.000 1.080 75 L CA 0.515 55.405 54.840 0.085 0.000 0.759 75 L CB -0.458 41.714 42.059 0.189 0.000 0.914 75 L HN 0.275 nan 8.230 nan 0.000 0.439 76 M N -0.388 119.068 119.600 -0.240 0.000 2.267 76 M HA -0.216 4.270 4.480 0.009 0.000 0.263 76 M C 1.544 177.650 176.300 -0.324 0.000 1.063 76 M CA 1.596 56.666 55.300 -0.384 0.000 1.090 76 M CB -1.268 31.025 32.600 -0.512 0.000 1.392 76 M HN 0.187 nan 8.290 nan 0.000 0.422 77 D N -0.009 120.256 120.400 -0.225 0.000 2.123 77 D HA -0.111 4.534 4.640 0.009 0.000 0.200 77 D C 1.902 178.095 176.300 -0.178 0.000 0.976 77 D CA 0.528 54.417 54.000 -0.184 0.000 0.831 77 D CB 0.008 40.730 40.800 -0.130 0.000 0.974 77 D HN 0.137 nan 8.370 nan 0.000 0.469 78 L N 0.971 122.111 121.223 -0.138 0.000 2.042 78 L HA -0.206 4.140 4.340 0.009 0.000 0.210 78 L C 2.037 178.763 176.870 -0.241 0.000 1.076 78 L CA 1.808 56.589 54.840 -0.098 0.000 0.749 78 L CB -0.761 41.314 42.059 0.028 0.000 0.893 78 L HN 0.065 nan 8.230 nan 0.000 0.432 79 Q N -0.984 118.453 119.800 -0.604 0.000 2.135 79 Q HA -0.285 4.061 4.340 0.009 0.000 0.204 79 Q C 1.445 177.130 176.000 -0.526 0.000 0.981 79 Q CA 2.144 57.306 55.803 -1.068 0.000 0.856 79 Q CB -0.124 27.587 28.738 -1.711 0.000 0.902 79 Q HN 0.655 nan 8.270 nan 0.000 0.425 80 D N -1.063 119.113 120.400 -0.373 0.000 2.340 80 D HA -0.030 4.615 4.640 0.009 0.000 0.220 80 D C 1.559 177.740 176.300 -0.197 0.000 1.039 80 D CA 0.330 54.175 54.000 -0.259 0.000 0.866 80 D CB 0.252 40.923 40.800 -0.215 0.000 0.913 80 D HN 0.128 nan 8.370 nan 0.000 0.523 81 R N -0.534 119.862 120.500 -0.173 0.000 2.243 81 R HA 0.137 4.482 4.340 0.009 0.000 0.193 81 R C -0.433 175.823 176.300 -0.072 0.000 0.933 81 R CA 0.105 56.140 56.100 -0.108 0.000 1.105 81 R CB 0.494 30.745 30.300 -0.083 0.000 1.169 81 R HN -0.037 nan 8.270 nan 0.000 0.599 82 N N 1.360 120.022 118.700 -0.062 0.000 2.653 82 N HA 0.022 4.768 4.740 0.009 0.000 0.261 82 N C -0.352 175.188 175.510 0.050 0.000 1.216 82 N CA -0.071 52.989 53.050 0.017 0.000 0.784 82 N CB 1.577 40.096 38.487 0.054 0.000 1.327 82 N HN 0.196 nan 8.380 nan 0.000 0.539 83 E N 2.106 122.342 120.200 0.059 0.000 2.031 83 E HA -0.148 4.207 4.350 0.009 0.000 0.193 83 E C 0.899 177.701 176.600 0.336 0.000 0.994 83 E CA 1.073 57.562 56.400 0.147 0.000 0.800 83 E CB 0.323 30.141 29.700 0.198 0.000 0.752 83 E HN 0.383 nan 8.360 nan 0.000 0.447 84 K N 0.477 121.076 120.400 0.330 0.000 2.063 84 K HA -0.197 4.129 4.320 0.009 0.000 0.208 84 K C 2.271 178.902 176.600 0.052 0.000 1.048 84 K CA 0.813 57.238 56.287 0.230 0.000 0.928 84 K CB -0.561 31.966 32.500 0.045 0.000 0.713 84 K HN 0.198 nan 8.250 nan 0.000 0.442 85 L N 0.778 122.031 121.223 0.051 0.000 2.017 85 L HA -0.140 4.206 4.340 0.009 0.000 0.208 85 L C 2.222 179.085 176.870 -0.012 0.000 1.073 85 L CA 1.391 56.227 54.840 -0.007 0.000 0.745 85 L CB -0.792 41.312 42.059 0.074 0.000 0.894 85 L HN 0.063 nan 8.230 nan 0.000 0.432 86 F N -0.251 119.602 119.950 -0.162 0.000 2.043 86 F HA -0.358 4.175 4.527 0.010 0.000 0.297 86 F C 2.176 177.781 175.800 -0.324 0.000 1.118 86 F CA 2.242 60.056 58.000 -0.309 0.000 1.202 86 F CB -0.852 37.887 39.000 -0.435 0.000 0.965 86 F HN 0.191 nan 8.300 nan 0.000 0.482 87 Y N -0.649 119.629 120.300 -0.037 0.000 2.314 87 Y HA -0.144 4.412 4.550 0.009 0.000 0.293 87 Y C 2.579 178.375 175.900 -0.173 0.000 1.129 87 Y CA 1.104 59.115 58.100 -0.148 0.000 1.201 87 Y CB -0.500 38.044 38.460 0.140 0.000 0.999 87 Y HN -0.009 nan 8.280 nan 0.000 0.541 88 R N 0.620 121.100 120.500 -0.032 0.000 2.103 88 R HA -0.155 4.191 4.340 0.009 0.000 0.242 88 R C 1.939 178.130 176.300 -0.182 0.000 1.142 88 R CA 1.760 57.793 56.100 -0.111 0.000 0.960 88 R CB -1.082 29.125 30.300 -0.155 0.000 0.858 88 R HN 0.188 nan 8.270 nan 0.000 0.439 89 V N 0.751 120.486 119.914 -0.298 0.000 2.237 89 V HA -0.259 3.867 4.120 0.009 0.000 0.245 89 V C 2.395 178.111 176.094 -0.630 0.000 1.046 89 V CA 2.123 64.123 62.300 -0.501 0.000 1.007 89 V CB -0.514 30.928 31.823 -0.636 0.000 0.638 89 V HN 0.332 nan 8.190 nan 0.000 0.445 90 L N 0.530 121.390 121.223 -0.605 0.000 2.013 90 L HA -0.222 4.124 4.340 0.009 0.000 0.212 90 L C 2.658 179.504 176.870 -0.041 0.000 1.073 90 L CA 2.327 56.960 54.840 -0.345 0.000 0.753 90 L CB -1.274 40.582 42.059 -0.339 0.000 0.890 90 L HN 0.596 nan 8.230 nan 0.000 0.432 91 T N -4.012 110.510 114.554 -0.054 0.000 3.055 91 T HA -0.074 4.282 4.350 0.009 0.000 0.265 91 T C 1.910 176.618 174.700 0.012 0.000 1.111 91 T CA 0.801 62.902 62.100 0.002 0.000 1.118 91 T CB -0.275 68.592 68.868 -0.001 0.000 0.909 91 T HN 0.431 nan 8.240 nan 0.000 0.501 92 S N 0.740 116.442 115.700 0.003 0.000 2.481 92 S HA -0.020 4.456 4.470 0.009 0.000 0.231 92 S C 0.670 175.327 174.600 0.095 0.000 0.996 92 S CA 0.631 58.849 58.200 0.030 0.000 0.942 92 S CB -0.162 63.044 63.200 0.010 0.000 0.768 92 S HN 0.496 nan 8.310 nan 0.000 0.520 93 D N -0.120 120.392 120.400 0.187 0.000 3.117 93 D HA 0.115 4.760 4.640 0.009 0.000 0.241 93 D C 0.344 176.706 176.300 0.103 0.000 1.385 93 D CA -0.344 53.719 54.000 0.105 0.000 0.855 93 D CB -0.009 40.796 40.800 0.008 0.000 1.498 93 D HN 0.164 nan 8.370 nan 0.000 0.584 94 I N 1.051 121.670 120.570 0.081 0.000 2.361 94 I HA -0.155 4.021 4.170 0.009 0.000 0.251 94 I C 1.715 177.835 176.117 0.005 0.000 1.133 94 I CA 1.412 62.758 61.300 0.075 0.000 1.413 94 I CB 0.055 38.070 38.000 0.025 0.000 1.073 94 I HN 0.432 nan 8.210 nan 0.000 0.424 95 E N 0.662 120.835 120.200 -0.045 0.000 2.204 95 E HA -0.271 4.085 4.350 0.009 0.000 0.194 95 E C 2.201 178.733 176.600 -0.114 0.000 0.989 95 E CA 1.035 57.398 56.400 -0.060 0.000 0.824 95 E CB 0.020 29.694 29.700 -0.043 0.000 0.756 95 E HN 0.401 nan 8.360 nan 0.000 0.477 96 K N -0.611 119.624 120.400 -0.275 0.000 2.284 96 K HA -0.025 4.300 4.320 0.009 0.000 0.198 96 K C 1.193 177.471 176.600 -0.536 0.000 1.048 96 K CA 0.546 56.555 56.287 -0.463 0.000 0.987 96 K CB 0.141 32.198 32.500 -0.738 0.000 0.800 96 K HN 0.119 nan 8.250 nan 0.000 0.486 97 F N 0.377 120.316 119.950 -0.020 0.000 2.582 97 F HA 0.162 4.695 4.527 0.010 0.000 0.290 97 F C 2.330 178.177 175.800 0.079 0.000 1.115 97 F CA -0.108 57.897 58.000 0.008 0.000 1.445 97 F CB -0.154 38.780 39.000 -0.110 0.000 1.126 97 F HN -0.080 nan 8.300 nan 0.000 0.574 98 M N 1.847 121.565 119.600 0.196 0.000 2.106 98 M HA -0.128 4.358 4.480 0.009 0.000 0.259 98 M C -1.114 175.322 176.300 0.228 0.000 1.068 98 M CA 2.185 57.602 55.300 0.196 0.000 1.100 98 M CB -1.066 31.605 32.600 0.118 0.000 1.351 98 M HN -0.157 nan 8.290 nan 0.000 0.404 99 P HA -0.043 nan 4.420 nan 0.000 0.237 99 P C 1.027 178.446 177.300 0.198 0.000 1.178 99 P CA 0.885 64.073 63.100 0.147 0.000 0.766 99 P CB -0.215 31.536 31.700 0.085 0.000 0.876 100 I N -1.443 119.299 120.570 0.286 0.000 2.512 100 I HA -0.042 4.134 4.170 0.009 0.000 0.247 100 I C 2.132 178.536 176.117 0.479 0.000 1.094 100 I CA 1.019 62.545 61.300 0.378 0.000 1.427 100 I CB -1.367 36.927 38.000 0.490 0.000 1.149 100 I HN -0.163 nan 8.210 nan 0.000 0.438 101 V N -0.358 119.825 119.914 0.449 0.000 2.951 101 V HA -0.128 3.998 4.120 0.009 0.000 0.255 101 V C 1.276 177.702 176.094 0.553 0.000 1.088 101 V CA 1.166 63.763 62.300 0.496 0.000 1.109 101 V CB -0.554 31.486 31.823 0.362 0.000 0.724 101 V HN 0.335 nan 8.190 nan 0.000 0.471 102 Y N -0.113 120.353 120.300 0.276 0.000 3.288 102 Y HA 0.463 5.018 4.550 0.009 0.000 0.283 102 Y C 0.843 176.831 175.900 0.146 0.000 1.866 102 Y CA -0.523 57.701 58.100 0.207 0.000 0.808 102 Y CB 0.875 39.450 38.460 0.192 0.000 1.331 102 Y HN -0.118 nan 8.280 nan 0.000 0.664 103 T N 3.874 118.279 114.554 -0.248 0.000 2.856 103 T HA 0.308 4.663 4.350 0.009 0.000 0.292 103 T C -1.981 172.691 174.700 -0.048 0.000 0.980 103 T CA -1.814 60.116 62.100 -0.283 0.000 1.091 103 T CB 0.967 69.578 68.868 -0.428 0.000 0.936 103 T HN 0.435 nan 8.240 nan 0.000 0.503 104 P HA 0.123 nan 4.420 nan 0.000 0.245 104 P C 1.235 178.479 177.300 -0.093 0.000 1.203 104 P CA 0.298 63.340 63.100 -0.096 0.000 0.792 104 P CB 0.150 31.808 31.700 -0.071 0.000 0.997 105 T N 0.202 114.738 114.554 -0.030 0.000 2.833 105 T HA -0.092 4.263 4.350 0.009 0.000 0.269 105 T C 1.841 176.456 174.700 -0.142 0.000 1.054 105 T CA 0.917 62.996 62.100 -0.036 0.000 1.135 105 T CB -0.947 67.981 68.868 0.099 0.000 0.869 105 T HN -0.087 nan 8.240 nan 0.000 0.466 106 V N 1.664 121.518 119.914 -0.101 0.000 2.594 106 V HA -0.065 4.060 4.120 0.009 0.000 0.253 106 V C 2.550 178.542 176.094 -0.169 0.000 1.069 106 V CA 2.050 64.269 62.300 -0.134 0.000 1.082 106 V CB -1.074 30.772 31.823 0.039 0.000 0.680 106 V HN 0.585 nan 8.190 nan 0.000 0.469 107 G N -0.570 108.121 108.800 -0.181 0.000 2.440 107 G HA2 -0.267 3.699 3.960 0.009 0.000 0.218 107 G HA3 -0.267 3.699 3.960 0.009 0.000 0.218 107 G C 1.590 176.380 174.900 -0.185 0.000 1.154 107 G CA 1.193 46.193 45.100 -0.167 0.000 0.767 107 G HN 0.502 nan 8.290 nan 0.000 0.552 108 L N 0.347 121.419 121.223 -0.252 0.000 2.072 108 L HA 0.049 4.394 4.340 0.009 0.000 0.205 108 L C 3.279 179.867 176.870 -0.470 0.000 1.079 108 L CA 1.238 55.852 54.840 -0.378 0.000 0.752 108 L CB -0.333 41.436 42.059 -0.483 0.000 0.906 108 L HN 0.329 nan 8.230 nan 0.000 0.436 109 A N -0.838 121.738 122.820 -0.406 0.000 1.908 109 A HA -0.260 4.066 4.320 0.009 0.000 0.218 109 A C 2.327 180.001 177.584 0.150 0.000 1.181 109 A CA 1.895 53.851 52.037 -0.135 0.000 0.627 109 A CB -1.228 17.506 19.000 -0.443 0.000 0.818 109 A HN 0.614 nan 8.150 nan 0.000 0.445 110 C N -0.964 118.368 119.300 0.054 0.000 2.440 110 C HA -0.112 4.353 4.460 0.009 0.000 0.278 110 C C 2.859 177.896 174.990 0.078 0.000 1.295 110 C CA 1.097 60.160 59.018 0.075 0.000 1.738 110 C CB -1.422 26.284 27.740 -0.057 0.000 1.987 110 C HN 0.672 nan 8.230 nan 0.000 0.492 111 Q N -0.125 119.662 119.800 -0.021 0.000 2.135 111 Q HA -0.229 4.116 4.340 0.009 0.000 0.204 111 Q C 1.715 177.731 176.000 0.027 0.000 0.981 111 Q CA 1.435 57.220 55.803 -0.030 0.000 0.856 111 Q CB -0.158 28.516 28.738 -0.105 0.000 0.902 111 Q HN 0.587 nan 8.270 nan 0.000 0.425 112 Q N -1.206 118.615 119.800 0.036 0.000 2.220 112 Q HA 0.040 4.386 4.340 0.009 0.000 0.205 112 Q C 0.518 176.677 176.000 0.265 0.000 0.865 112 Q CA -0.034 55.843 55.803 0.124 0.000 0.960 112 Q CB 0.167 28.963 28.738 0.096 0.000 1.097 112 Q HN 0.352 nan 8.270 nan 0.000 0.493 113 Y N -0.556 119.843 120.300 0.164 0.000 2.207 113 Y HA -0.249 4.306 4.550 0.009 0.000 0.287 113 Y C 2.093 178.149 175.900 0.259 0.000 1.156 113 Y CA 1.835 60.079 58.100 0.241 0.000 1.182 113 Y CB 0.215 38.808 38.460 0.222 0.000 0.979 113 Y HN 0.100 nan 8.280 nan 0.000 0.521 114 S N -0.840 115.049 115.700 0.314 0.000 2.414 114 S HA -0.118 4.358 4.470 0.009 0.000 0.227 114 S C 2.337 177.039 174.600 0.170 0.000 1.022 114 S CA 1.031 59.360 58.200 0.215 0.000 0.958 114 S CB -0.722 62.610 63.200 0.220 0.000 0.797 114 S HN 0.420 nan 8.310 nan 0.000 0.493 115 L N 0.088 121.408 121.223 0.161 0.000 2.056 115 L HA 0.254 4.600 4.340 0.009 0.000 0.207 115 L C 2.382 179.326 176.870 0.124 0.000 1.078 115 L CA 1.705 56.623 54.840 0.130 0.000 0.749 115 L CB -1.320 40.815 42.059 0.127 0.000 0.901 115 L HN 0.375 nan 8.230 nan 0.000 0.433 116 V N -1.232 118.763 119.914 0.135 0.000 3.650 116 V HA 0.198 4.324 4.120 0.009 0.000 0.271 116 V C 1.039 177.129 176.094 -0.006 0.000 1.281 116 V CA -0.530 61.812 62.300 0.070 0.000 1.120 116 V CB -0.341 31.559 31.823 0.129 0.000 0.856 116 V HN 0.618 nan 8.190 nan 0.000 0.443 117 F N 2.047 121.919 119.950 -0.129 0.000 2.593 117 F HA 0.043 4.575 4.527 0.008 0.000 0.393 117 F C 1.214 176.942 175.800 -0.120 0.000 1.037 117 F CA 0.921 58.803 58.000 -0.197 0.000 1.195 117 F CB 0.217 39.146 39.000 -0.118 0.000 1.034 117 F HN 0.094 nan 8.300 nan 0.000 0.552 118 R N 3.329 123.297 120.500 -0.887 0.000 4.019 118 R HA 0.367 4.713 4.340 0.009 0.000 0.140 118 R C -0.171 175.652 176.300 -0.796 0.000 1.486 118 R CA -0.087 55.620 56.100 -0.655 0.000 1.119 118 R CB -0.312 29.787 30.300 -0.335 0.000 1.357 118 R HN 0.259 nan 8.270 nan 0.000 0.449 119 K N 4.150 124.219 120.400 -0.551 0.000 2.347 119 K HA 0.389 4.715 4.320 0.009 0.000 0.262 119 K C -2.525 173.926 176.600 -0.249 0.000 1.052 119 K CA -2.076 54.014 56.287 -0.328 0.000 0.946 119 K CB 0.286 32.656 32.500 -0.216 0.000 1.220 119 K HN 0.147 nan 8.250 nan 0.000 0.450 120 P HA 0.346 nan 4.420 nan 0.000 0.275 120 P C -0.823 176.618 177.300 0.235 0.000 1.228 120 P CA -0.318 62.887 63.100 0.175 0.000 0.786 120 P CB 0.864 32.809 31.700 0.408 0.000 0.927 121 R N 0.571 121.274 120.500 0.339 0.000 2.795 121 R HA 0.684 5.029 4.340 0.009 0.000 0.275 121 R C 0.097 176.567 176.300 0.284 0.000 0.981 121 R CA -0.564 55.719 56.100 0.305 0.000 0.917 121 R CB 1.798 32.214 30.300 0.192 0.000 1.202 121 R HN 0.825 nan 8.270 nan 0.000 0.469 122 G N 1.100 110.097 108.800 0.328 0.000 2.860 122 G HA2 -0.247 3.719 3.960 0.009 0.000 0.553 122 G HA3 -0.247 3.719 3.960 0.009 0.000 0.553 122 G C -0.885 173.953 174.900 -0.103 0.000 1.439 122 G CA -0.868 44.149 45.100 -0.138 0.000 0.879 122 G HN 0.394 nan 8.290 nan 0.000 0.545 123 L N -0.201 120.813 121.223 -0.348 0.000 2.295 123 L HA 0.578 4.923 4.340 0.009 0.000 0.285 123 L C -0.230 176.467 176.870 -0.287 0.000 1.035 123 L CA -0.646 54.114 54.840 -0.133 0.000 0.806 123 L CB 1.161 43.146 42.059 -0.123 0.000 1.214 123 L HN 0.416 nan 8.230 nan 0.000 0.426 124 F N 4.615 124.587 119.950 0.036 0.000 2.350 124 F HA 0.432 4.963 4.527 0.008 0.000 0.365 124 F C 0.340 176.153 175.800 0.022 0.000 1.122 124 F CA -0.304 57.701 58.000 0.008 0.000 1.139 124 F CB 0.568 39.576 39.000 0.014 0.000 1.220 124 F HN 0.173 nan 8.300 nan 0.000 0.499 125 I N 2.823 123.457 120.570 0.105 0.000 2.404 125 I HA 0.387 4.563 4.170 0.009 0.000 0.293 125 I C -0.001 176.242 176.117 0.209 0.000 0.992 125 I CA -0.343 61.046 61.300 0.150 0.000 1.149 125 I CB 1.977 40.033 38.000 0.093 0.000 1.315 125 I HN 0.434 nan 8.210 nan 0.000 0.446 126 T N 5.360 120.023 114.554 0.183 0.000 2.912 126 T HA 0.402 4.757 4.350 0.009 0.000 0.288 126 T C 1.286 175.802 174.700 -0.307 0.000 1.030 126 T CA -0.461 61.626 62.100 -0.020 0.000 1.020 126 T CB 1.708 70.559 68.868 -0.028 0.000 1.056 126 T HN 0.400 nan 8.240 nan 0.000 0.480 127 I N 1.247 121.362 120.570 -0.758 0.000 2.264 127 I HA -0.193 3.983 4.170 0.009 0.000 0.248 127 I C 2.108 177.964 176.117 -0.435 0.000 1.111 127 I CA 1.488 62.164 61.300 -1.039 0.000 1.382 127 I CB -0.707 36.852 38.000 -0.736 0.000 1.060 127 I HN 0.656 nan 8.210 nan 0.000 0.418 128 H N 1.101 120.068 119.070 -0.172 0.000 2.541 128 H HA -0.096 4.465 4.556 0.009 0.000 0.289 128 H C 1.095 176.442 175.328 0.032 0.000 1.054 128 H CA 1.197 57.213 56.048 -0.052 0.000 1.250 128 H CB -0.725 29.017 29.762 -0.034 0.000 1.369 128 H HN 0.492 nan 8.280 nan 0.000 0.578 129 D N 0.620 121.100 120.400 0.135 0.000 2.340 129 D HA -0.034 4.612 4.640 0.009 0.000 0.220 129 D C 1.026 177.494 176.300 0.280 0.000 1.039 129 D CA -0.085 54.057 54.000 0.237 0.000 0.866 129 D CB 0.031 40.974 40.800 0.237 0.000 0.913 129 D HN 0.109 nan 8.370 nan 0.000 0.523 130 R N 0.608 121.219 120.500 0.185 0.000 2.481 130 R HA 0.105 4.451 4.340 0.009 0.000 0.291 130 R C 1.321 177.663 176.300 0.069 0.000 0.934 130 R CA 1.215 57.420 56.100 0.176 0.000 1.116 130 R CB -0.380 29.965 30.300 0.074 0.000 0.895 130 R HN 0.201 nan 8.270 nan 0.000 0.410 131 G N 3.513 112.317 108.800 0.005 0.000 2.267 131 G HA2 -0.289 3.676 3.960 0.009 0.000 0.257 131 G HA3 -0.289 3.676 3.960 0.009 0.000 0.257 131 G C 0.369 175.038 174.900 -0.385 0.000 0.998 131 G CA 0.481 45.452 45.100 -0.214 0.000 0.620 131 G HN 0.761 nan 8.290 nan 0.000 0.529 132 H N -0.353 118.773 119.070 0.094 0.000 2.567 132 H HA 0.372 4.932 4.556 0.007 0.000 0.267 132 H C 2.175 177.555 175.328 0.087 0.000 1.148 132 H CA -0.030 56.065 56.048 0.077 0.000 1.031 132 H CB 0.143 29.949 29.762 0.072 0.000 1.691 132 H HN 0.414 nan 8.280 nan 0.000 0.588 133 I N 0.808 121.479 120.570 0.168 0.000 2.361 133 I HA -0.224 3.952 4.170 0.009 0.000 0.251 133 I C 2.645 178.821 176.117 0.097 0.000 1.133 133 I CA 1.091 62.481 61.300 0.151 0.000 1.413 133 I CB -0.080 37.995 38.000 0.125 0.000 1.073 133 I HN 0.210 nan 8.210 nan 0.000 0.424 134 A N 0.956 123.811 122.820 0.058 0.000 1.908 134 A HA -0.231 4.095 4.320 0.009 0.000 0.218 134 A C 2.498 180.104 177.584 0.037 0.000 1.181 134 A CA 2.335 54.379 52.037 0.011 0.000 0.627 134 A CB -0.702 18.295 19.000 -0.004 0.000 0.818 134 A HN 0.538 nan 8.150 nan 0.000 0.445 135 S N -0.813 114.936 115.700 0.082 0.000 2.446 135 S HA -0.019 4.457 4.470 0.009 0.000 0.225 135 S C 1.663 176.323 174.600 0.100 0.000 1.016 135 S CA 0.945 59.196 58.200 0.084 0.000 0.943 135 S CB -0.602 62.655 63.200 0.095 0.000 0.786 135 S HN 0.219 nan 8.310 nan 0.000 0.508 136 V N 2.731 122.718 119.914 0.122 0.000 2.332 136 V HA -0.160 3.966 4.120 0.009 0.000 0.248 136 V C 2.507 178.694 176.094 0.155 0.000 1.055 136 V CA 1.813 64.197 62.300 0.139 0.000 1.038 136 V CB -0.994 30.923 31.823 0.156 0.000 0.651 136 V HN 0.488 nan 8.190 nan 0.000 0.450 137 L N 0.237 121.541 121.223 0.135 0.000 2.079 137 L HA -0.173 4.172 4.340 0.009 0.000 0.210 137 L C 2.340 179.335 176.870 0.209 0.000 1.081 137 L CA 1.382 56.323 54.840 0.168 0.000 0.752 137 L CB -0.881 41.219 42.059 0.069 0.000 0.896 137 L HN 0.368 nan 8.230 nan 0.000 0.433 138 N N 0.572 119.351 118.700 0.132 0.000 2.348 138 N HA -0.145 4.601 4.740 0.009 0.000 0.185 138 N C 1.825 177.423 175.510 0.147 0.000 1.019 138 N CA 1.288 54.411 53.050 0.122 0.000 0.880 138 N CB -0.227 38.304 38.487 0.074 0.000 0.965 138 N HN 0.346 nan 8.380 nan 0.000 0.437 139 A N 0.043 122.968 122.820 0.174 0.000 2.019 139 A HA -0.128 4.198 4.320 0.009 0.000 0.219 139 A C 0.882 178.603 177.584 0.227 0.000 1.164 139 A CA 0.135 52.279 52.037 0.177 0.000 0.644 139 A CB -0.535 18.578 19.000 0.189 0.000 0.805 139 A HN 0.468 nan 8.150 nan 0.000 0.449 140 W N 2.187 123.547 121.300 0.099 0.000 2.368 140 W HA 0.209 4.873 4.660 0.007 0.000 0.316 140 W C -2.017 174.554 176.519 0.088 0.000 1.375 140 W CA -1.659 55.746 57.345 0.099 0.000 1.261 140 W CB 0.955 30.486 29.460 0.118 0.000 1.298 140 W HN 0.192 nan 8.180 nan 0.000 0.539 141 P HA -0.009 nan 4.420 nan 0.000 0.249 141 P C -0.447 176.711 177.300 -0.236 0.000 1.241 141 P CA 0.798 63.730 63.100 -0.279 0.000 0.781 141 P CB 0.368 31.878 31.700 -0.316 0.000 1.088 142 E N -0.199 119.858 120.200 -0.237 0.000 2.179 142 E HA 0.410 4.766 4.350 0.009 0.000 0.275 142 E C 1.036 177.759 176.600 0.205 0.000 0.945 142 E CA 0.166 56.569 56.400 0.005 0.000 0.792 142 E CB 0.952 30.679 29.700 0.044 0.000 1.125 142 E HN -0.030 nan 8.360 nan 0.000 0.397 143 D N 2.141 122.628 120.400 0.145 0.000 2.301 143 D HA 0.038 4.684 4.640 0.009 0.000 0.206 143 D C 0.672 177.108 176.300 0.227 0.000 0.979 143 D CA 0.912 55.029 54.000 0.194 0.000 0.874 143 D CB 0.258 41.125 40.800 0.110 0.000 0.968 143 D HN 0.225 nan 8.370 nan 0.000 0.510 144 V N -0.911 119.084 119.914 0.135 0.000 2.313 144 V HA 0.647 4.773 4.120 0.009 0.000 0.278 144 V C -0.963 175.128 176.094 -0.007 0.000 1.017 144 V CA -1.076 61.279 62.300 0.091 0.000 0.823 144 V CB 0.863 32.720 31.823 0.057 0.000 1.010 144 V HN 0.207 nan 8.190 nan 0.000 0.443 145 I N 5.174 125.673 120.570 -0.118 0.000 2.389 145 I HA 0.539 4.715 4.170 0.009 0.000 0.288 145 I C 0.613 176.614 176.117 -0.194 0.000 0.999 145 I CA -0.265 60.840 61.300 -0.325 0.000 1.129 145 I CB 1.936 39.367 38.000 -0.948 0.000 1.288 145 I HN 0.726 nan 8.210 nan 0.000 0.444 146 K N 3.769 124.093 120.400 -0.127 0.000 2.373 146 K HA 0.500 4.826 4.320 0.009 0.000 0.200 146 K C 0.160 176.727 176.600 -0.056 0.000 1.054 146 K CA 0.117 56.371 56.287 -0.056 0.000 1.065 146 K CB 1.430 33.921 32.500 -0.015 0.000 0.886 146 K HN 0.652 nan 8.250 nan 0.000 0.546 147 A N 1.441 124.187 122.820 -0.123 0.000 2.488 147 A HA 0.635 4.960 4.320 0.009 0.000 0.295 147 A C -1.349 176.085 177.584 -0.250 0.000 1.045 147 A CA -0.623 51.338 52.037 -0.127 0.000 0.703 147 A CB 1.036 19.990 19.000 -0.077 0.000 1.271 147 A HN 0.099 nan 8.150 nan 0.000 0.400 148 I N 1.787 122.205 120.570 -0.252 0.000 2.647 148 I HA 0.540 4.715 4.170 0.009 0.000 0.295 148 I C -0.846 175.082 176.117 -0.314 0.000 1.078 148 I CA -1.027 60.094 61.300 -0.298 0.000 1.048 148 I CB 2.433 40.285 38.000 -0.246 0.000 1.239 148 I HN 0.368 nan 8.210 nan 0.000 0.421 149 V N 6.406 126.114 119.914 -0.342 0.000 2.495 149 V HA 0.535 4.660 4.120 0.009 0.000 0.298 149 V C -0.329 175.603 176.094 -0.270 0.000 1.031 149 V CA -0.636 61.474 62.300 -0.317 0.000 0.871 149 V CB 2.067 33.684 31.823 -0.344 0.000 0.988 149 V HN 0.388 nan 8.190 nan 0.000 0.432 150 V N 3.364 123.126 119.914 -0.255 0.000 2.769 150 V HA 0.778 4.904 4.120 0.009 0.000 0.312 150 V C -0.076 175.981 176.094 -0.062 0.000 1.061 150 V CA -0.345 61.810 62.300 -0.241 0.000 0.931 150 V CB 2.293 33.894 31.823 -0.371 0.000 1.010 150 V HN 0.930 nan 8.190 nan 0.000 0.433 151 T N 0.512 114.962 114.554 -0.173 0.000 2.883 151 T HA 0.408 4.764 4.350 0.009 0.000 0.301 151 T C -0.371 173.997 174.700 -0.555 0.000 1.158 151 T CA -0.247 61.655 62.100 -0.330 0.000 1.007 151 T CB 1.800 70.516 68.868 -0.253 0.000 1.186 151 T HN 0.910 nan 8.240 nan 0.000 0.499 152 D N 0.661 120.469 120.400 -0.987 0.000 2.398 152 D HA 0.250 4.896 4.640 0.009 0.000 0.210 152 D C 1.437 177.525 176.300 -0.353 0.000 1.094 152 D CA 0.717 54.390 54.000 -0.546 0.000 0.839 152 D CB -0.257 40.293 40.800 -0.417 0.000 0.963 152 D HN 1.092 nan 8.370 nan 0.000 0.506 153 G N 1.079 109.661 108.800 -0.364 0.000 2.162 153 G HA2 -0.421 3.544 3.960 0.009 0.000 0.260 153 G HA3 -0.421 3.544 3.960 0.009 0.000 0.260 153 G C 0.809 175.613 174.900 -0.160 0.000 0.976 153 G CA 0.617 45.592 45.100 -0.209 0.000 0.655 153 G HN 0.497 nan 8.290 nan 0.000 0.533 154 E N -0.234 119.852 120.200 -0.190 0.000 2.107 154 E HA 0.011 4.366 4.350 0.009 0.000 0.191 154 E C 1.553 178.103 176.600 -0.083 0.000 0.982 154 E CA 0.690 57.019 56.400 -0.118 0.000 0.809 154 E CB 0.047 29.683 29.700 -0.107 0.000 0.756 154 E HN 0.392 nan 8.360 nan 0.000 0.459 155 R N 1.207 121.662 120.500 -0.075 0.000 2.607 155 R HA 0.207 4.552 4.340 0.009 0.000 0.278 155 R C -1.240 175.033 176.300 -0.045 0.000 1.637 155 R CA -0.498 55.576 56.100 -0.042 0.000 1.325 155 R CB 0.366 30.663 30.300 -0.006 0.000 1.211 155 R HN 0.090 nan 8.270 nan 0.000 0.565 156 I N 4.812 125.345 120.570 -0.062 0.000 2.395 156 I HA 0.052 4.228 4.170 0.009 0.000 0.289 156 I C 1.936 178.014 176.117 -0.066 0.000 1.023 156 I CA 0.097 61.355 61.300 -0.069 0.000 1.350 156 I CB 0.922 38.871 38.000 -0.085 0.000 1.409 156 I HN 0.418 nan 8.210 nan 0.000 0.507 157 L N 5.398 126.580 121.223 -0.068 0.000 4.839 157 L HA -0.299 4.046 4.340 0.009 0.000 0.053 157 L C 1.558 178.397 176.870 -0.052 0.000 2.981 157 L CA 2.055 56.852 54.840 -0.072 0.000 1.636 157 L CB -2.088 39.905 42.059 -0.110 0.000 2.822 157 L HN 0.992 nan 8.230 nan 0.000 0.841 158 G N -1.359 107.406 108.800 -0.058 0.000 3.899 158 G HA2 0.524 4.489 3.960 0.009 0.000 0.293 158 G HA3 0.524 4.489 3.960 0.009 0.000 0.293 158 G C 0.565 175.434 174.900 -0.051 0.000 1.054 158 G CA 0.247 45.319 45.100 -0.047 0.000 0.846 158 G HN 0.588 nan 8.290 nan 0.000 0.525 159 L N -0.249 120.938 121.223 -0.060 0.000 2.693 159 L HA 0.362 4.707 4.340 0.009 0.000 0.235 159 L C 1.730 178.564 176.870 -0.059 0.000 1.127 159 L CA 0.237 55.039 54.840 -0.063 0.000 0.914 159 L CB 0.031 42.044 42.059 -0.076 0.000 1.193 159 L HN 0.337 nan 8.230 nan 0.000 0.502 160 G N 1.129 109.897 108.800 -0.054 0.000 2.527 160 G HA2 -0.338 3.627 3.960 0.009 0.000 0.268 160 G HA3 -0.338 3.627 3.960 0.009 0.000 0.268 160 G C -0.379 174.484 174.900 -0.062 0.000 1.175 160 G CA 0.130 45.199 45.100 -0.052 0.000 0.962 160 G HN 0.292 nan 8.290 nan 0.000 0.560 161 D N 1.421 121.782 120.400 -0.065 0.000 2.380 161 D HA 0.483 5.128 4.640 0.009 0.000 0.230 161 D C 1.363 177.617 176.300 -0.077 0.000 1.154 161 D CA -0.252 53.705 54.000 -0.072 0.000 0.859 161 D CB 0.241 40.998 40.800 -0.070 0.000 1.045 161 D HN 0.398 nan 8.370 nan 0.000 0.495 162 L N 3.163 124.344 121.223 -0.070 0.000 2.728 162 L HA 0.310 4.656 4.340 0.009 0.000 0.238 162 L C 1.682 178.550 176.870 -0.004 0.000 1.143 162 L CA -0.185 54.623 54.840 -0.053 0.000 0.937 162 L CB -0.244 41.786 42.059 -0.048 0.000 1.225 162 L HN 0.609 nan 8.230 nan 0.000 0.507 163 G N 0.580 109.375 108.800 -0.008 0.000 2.614 163 G HA2 -0.442 3.524 3.960 0.009 0.000 0.303 163 G HA3 -0.442 3.524 3.960 0.009 0.000 0.303 163 G C 0.927 175.886 174.900 0.099 0.000 1.270 163 G CA 0.314 45.462 45.100 0.080 0.000 0.988 163 G HN 0.272 nan 8.290 nan 0.000 0.551 164 C N 0.990 120.418 119.300 0.214 0.000 2.472 164 C HA 0.113 4.579 4.460 0.009 0.000 0.278 164 C C 2.550 177.582 174.990 0.069 0.000 1.447 164 C CA 1.265 60.339 59.018 0.095 0.000 1.773 164 C CB -1.914 25.829 27.740 0.005 0.000 1.793 164 C HN 0.581 nan 8.230 nan 0.000 0.544 165 N N 1.096 119.877 118.700 0.135 0.000 2.609 165 N HA -0.012 4.733 4.740 0.009 0.000 0.190 165 N C 1.731 177.100 175.510 -0.236 0.000 1.157 165 N CA 1.107 54.173 53.050 0.026 0.000 0.918 165 N CB -0.571 38.020 38.487 0.174 0.000 0.978 165 N HN 0.705 nan 8.380 nan 0.000 0.448 166 G N 0.282 108.977 108.800 -0.175 0.000 2.559 166 G HA2 -0.224 3.742 3.960 0.009 0.000 0.216 166 G HA3 -0.224 3.742 3.960 0.009 0.000 0.216 166 G C 1.474 176.192 174.900 -0.303 0.000 1.126 166 G CA 0.263 45.233 45.100 -0.216 0.000 0.778 166 G HN 0.205 nan 8.290 nan 0.000 0.543 167 M N 1.955 121.308 119.600 -0.413 0.000 2.255 167 M HA -0.014 4.472 4.480 0.009 0.000 0.259 167 M C 2.356 178.464 176.300 -0.321 0.000 1.071 167 M CA 1.490 56.547 55.300 -0.405 0.000 1.074 167 M CB -0.828 31.564 32.600 -0.346 0.000 1.384 167 M HN 0.114 nan 8.290 nan 0.000 0.415 168 G N 0.340 108.857 108.800 -0.472 0.000 2.450 168 G HA2 -0.194 3.772 3.960 0.009 0.000 0.220 168 G HA3 -0.194 3.772 3.960 0.009 0.000 0.220 168 G C 1.445 176.405 174.900 0.101 0.000 1.130 168 G CA 1.096 46.206 45.100 0.015 0.000 0.760 168 G HN 0.474 nan 8.290 nan 0.000 0.557 169 I N 1.926 122.498 120.570 0.003 0.000 2.113 169 I HA -0.065 4.111 4.170 0.009 0.000 0.238 169 I C 0.046 176.228 176.117 0.108 0.000 1.070 169 I CA 1.081 62.438 61.300 0.096 0.000 1.332 169 I CB -1.934 36.078 38.000 0.020 0.000 1.044 169 I HN 0.101 nan 8.210 nan 0.000 0.402 170 P HA -0.084 nan 4.420 nan 0.000 0.216 170 P C 2.255 179.524 177.300 -0.052 0.000 1.150 170 P CA 1.087 64.133 63.100 -0.090 0.000 0.837 170 P CB -0.007 31.587 31.700 -0.178 0.000 0.786 171 V N 0.053 119.976 119.914 0.015 0.000 2.343 171 V HA -0.177 3.949 4.120 0.009 0.000 0.247 171 V C 2.616 178.802 176.094 0.153 0.000 1.051 171 V CA 2.544 64.890 62.300 0.077 0.000 1.036 171 V CB -1.881 30.026 31.823 0.139 0.000 0.654 171 V HN 0.178 nan 8.190 nan 0.000 0.451 172 G N -0.387 108.559 108.800 0.243 0.000 2.402 172 G HA2 -0.307 3.659 3.960 0.009 0.000 0.216 172 G HA3 -0.307 3.659 3.960 0.009 0.000 0.216 172 G C 1.599 176.576 174.900 0.129 0.000 1.162 172 G CA 1.137 46.441 45.100 0.341 0.000 0.777 172 G HN 0.466 nan 8.290 nan 0.000 0.539 173 K N 0.256 120.638 120.400 -0.030 0.000 2.026 173 K HA 0.085 4.411 4.320 0.009 0.000 0.208 173 K C 2.456 179.032 176.600 -0.040 0.000 1.048 173 K CA 0.961 57.066 56.287 -0.303 0.000 0.929 173 K CB -0.514 31.813 32.500 -0.289 0.000 0.713 173 K HN 0.323 nan 8.250 nan 0.000 0.439 174 L N 0.015 121.188 121.223 -0.084 0.000 2.093 174 L HA -0.091 4.255 4.340 0.009 0.000 0.208 174 L C 2.413 179.381 176.870 0.164 0.000 1.085 174 L CA 1.013 55.804 54.840 -0.082 0.000 0.755 174 L CB -0.613 41.327 42.059 -0.198 0.000 0.904 174 L HN 0.287 nan 8.230 nan 0.000 0.435 175 A N 0.545 123.510 122.820 0.241 0.000 1.927 175 A HA -0.240 4.086 4.320 0.009 0.000 0.220 175 A C 2.206 180.012 177.584 0.370 0.000 1.185 175 A CA 1.936 54.232 52.037 0.432 0.000 0.639 175 A CB -0.806 18.459 19.000 0.442 0.000 0.820 175 A HN 0.432 nan 8.150 nan 0.000 0.451 176 L N -2.848 118.544 121.223 0.282 0.000 2.179 176 L HA -0.102 4.243 4.340 0.009 0.000 0.208 176 L C 2.480 179.519 176.870 0.282 0.000 1.096 176 L CA 0.741 55.732 54.840 0.251 0.000 0.779 176 L CB -0.646 41.563 42.059 0.250 0.000 0.922 176 L HN 0.364 nan 8.230 nan 0.000 0.443 177 Y N 0.900 121.327 120.300 0.211 0.000 2.114 177 Y HA -0.292 4.264 4.550 0.010 0.000 0.282 177 Y C 2.894 178.798 175.900 0.007 0.000 1.165 177 Y CA 1.973 60.166 58.100 0.154 0.000 1.148 177 Y CB -0.996 37.537 38.460 0.121 0.000 0.972 177 Y HN 0.106 nan 8.280 nan 0.000 0.504 178 T N -0.590 114.029 114.554 0.108 0.000 2.770 178 T HA -0.094 4.262 4.350 0.009 0.000 0.263 178 T C 2.180 176.794 174.700 -0.144 0.000 1.039 178 T CA 1.248 63.244 62.100 -0.174 0.000 1.142 178 T CB -0.599 67.883 68.868 -0.643 0.000 0.868 178 T HN 0.391 nan 8.240 nan 0.000 0.435 179 A N 0.186 122.995 122.820 -0.019 0.000 1.930 179 A HA -0.072 4.253 4.320 0.009 0.000 0.217 179 A C 2.506 180.092 177.584 0.003 0.000 1.175 179 A CA 1.389 53.458 52.037 0.054 0.000 0.627 179 A CB -0.934 18.153 19.000 0.146 0.000 0.815 179 A HN 0.641 nan 8.150 nan 0.000 0.443 180 C N -2.391 116.893 119.300 -0.028 0.000 2.558 180 C HA 0.369 4.834 4.460 0.009 0.000 0.288 180 C C 2.508 177.437 174.990 -0.102 0.000 1.338 180 C CA 0.313 59.275 59.018 -0.093 0.000 1.760 180 C CB -0.505 27.118 27.740 -0.194 0.000 2.159 180 C HN 0.664 nan 8.230 nan 0.000 0.518 181 G N -1.038 107.711 108.800 -0.084 0.000 3.079 181 G HA2 0.422 4.387 3.960 0.009 0.000 0.233 181 G HA3 0.422 4.387 3.960 0.009 0.000 0.233 181 G C 1.155 176.034 174.900 -0.035 0.000 1.062 181 G CA 0.810 45.863 45.100 -0.079 0.000 0.809 181 G HN 0.807 nan 8.290 nan 0.000 0.535 182 G N 0.367 109.155 108.800 -0.020 0.000 2.148 182 G HA2 -0.290 3.676 3.960 0.009 0.000 0.254 182 G HA3 -0.290 3.676 3.960 0.009 0.000 0.254 182 G C 0.569 175.477 174.900 0.013 0.000 0.981 182 G CA 0.237 45.344 45.100 0.011 0.000 0.670 182 G HN 0.249 nan 8.290 nan 0.000 0.528 183 M N 0.799 120.399 119.600 0.000 0.000 2.250 183 M HA 0.071 4.557 4.480 0.009 0.000 0.337 183 M C 0.887 177.118 176.300 -0.116 0.000 1.161 183 M CA -0.244 55.055 55.300 -0.003 0.000 1.088 183 M CB 0.054 32.704 32.600 0.084 0.000 1.639 183 M HN 0.336 nan 8.290 nan 0.000 0.447 184 N N 5.955 124.601 118.700 -0.089 0.000 2.452 184 N HA 0.075 4.820 4.740 0.009 0.000 0.266 184 N C -1.831 173.531 175.510 -0.247 0.000 1.175 184 N CA -1.331 51.616 53.050 -0.172 0.000 0.945 184 N CB 1.025 39.495 38.487 -0.028 0.000 1.063 184 N HN 0.306 nan 8.380 nan 0.000 0.472 185 P HA -0.166 nan 4.420 nan 0.000 0.218 185 P C 0.589 177.859 177.300 -0.050 0.000 1.148 185 P CA 1.468 64.447 63.100 -0.202 0.000 0.822 185 P CB 0.308 31.915 31.700 -0.154 0.000 0.784 186 Q N -0.297 119.444 119.800 -0.098 0.000 2.436 186 Q HA -0.088 4.257 4.340 0.009 0.000 0.209 186 Q C 1.248 177.230 176.000 -0.030 0.000 0.965 186 Q CA 0.822 56.555 55.803 -0.116 0.000 0.910 186 Q CB -0.283 28.288 28.738 -0.277 0.000 0.980 186 Q HN 0.495 nan 8.270 nan 0.000 0.491 187 E N -0.521 119.651 120.200 -0.047 0.000 2.465 187 E HA 0.094 4.449 4.350 0.009 0.000 0.195 187 E C -0.558 175.985 176.600 -0.095 0.000 1.028 187 E CA -0.397 55.970 56.400 -0.055 0.000 0.899 187 E CB 0.559 30.229 29.700 -0.050 0.000 1.032 187 E HN 0.138 nan 8.360 nan 0.000 0.468 188 C N 1.236 120.493 119.300 -0.071 0.000 2.355 188 C HA 0.552 5.018 4.460 0.009 0.000 0.332 188 C C -0.451 174.442 174.990 -0.161 0.000 1.255 188 C CA -0.931 58.005 59.018 -0.137 0.000 1.792 188 C CB 0.304 27.975 27.740 -0.114 0.000 2.300 188 C HN 0.318 nan 8.230 nan 0.000 0.515 189 L N 6.783 127.801 121.223 -0.342 0.000 2.415 189 L HA 0.590 4.935 4.340 0.009 0.000 0.268 189 L C -2.680 173.898 176.870 -0.486 0.000 0.984 189 L CA -1.730 52.765 54.840 -0.575 0.000 0.853 189 L CB 1.422 43.023 42.059 -0.763 0.000 1.215 189 L HN 0.394 nan 8.230 nan 0.000 0.419 190 P HA 0.446 nan 4.420 nan 0.000 0.278 190 P C -1.358 175.693 177.300 -0.415 0.000 1.238 190 P CA -0.318 62.570 63.100 -0.353 0.000 0.794 190 P CB 1.633 33.190 31.700 -0.237 0.000 0.955 191 V N 3.455 123.152 119.914 -0.362 0.000 2.733 191 V HA 0.373 4.499 4.120 0.009 0.000 0.306 191 V C -0.242 175.626 176.094 -0.376 0.000 1.084 191 V CA -0.596 61.478 62.300 -0.377 0.000 0.905 191 V CB 1.811 33.447 31.823 -0.311 0.000 1.010 191 V HN 0.304 nan 8.190 nan 0.000 0.424 192 I N 3.827 124.156 120.570 -0.401 0.000 2.493 192 I HA 0.579 4.755 4.170 0.009 0.000 0.298 192 I C -0.375 175.590 176.117 -0.254 0.000 0.998 192 I CA -0.644 60.465 61.300 -0.317 0.000 1.137 192 I CB 1.266 39.116 38.000 -0.251 0.000 1.310 192 I HN 0.323 nan 8.210 nan 0.000 0.445 193 L N 4.356 125.437 121.223 -0.237 0.000 2.264 193 L HA 0.426 4.772 4.340 0.009 0.000 0.289 193 L C -0.517 176.359 176.870 0.010 0.000 1.044 193 L CA -0.293 54.494 54.840 -0.088 0.000 0.807 193 L CB 0.903 42.877 42.059 -0.140 0.000 1.192 193 L HN 0.598 nan 8.230 nan 0.000 0.425 194 D N 3.260 123.693 120.400 0.054 0.000 2.427 194 D HA 0.250 4.896 4.640 0.009 0.000 0.226 194 D C 0.355 176.626 176.300 -0.048 0.000 1.076 194 D CA -0.354 53.651 54.000 0.010 0.000 0.849 194 D CB 1.823 42.627 40.800 0.007 0.000 1.052 194 D HN 0.289 nan 8.370 nan 0.000 0.515 195 V N 1.620 121.528 119.914 -0.010 0.000 3.276 195 V HA 0.688 4.814 4.120 0.009 0.000 0.319 195 V C 0.792 176.862 176.094 -0.041 0.000 1.427 195 V CA 0.486 62.751 62.300 -0.058 0.000 1.102 195 V CB -0.262 31.631 31.823 0.116 0.000 1.020 195 V HN 0.690 nan 8.190 nan 0.000 0.456 196 G N -0.214 108.576 108.800 -0.016 0.000 2.434 196 G HA2 0.289 4.255 3.960 0.009 0.000 0.671 196 G HA3 0.289 4.255 3.960 0.009 0.000 0.671 196 G C -0.480 174.441 174.900 0.035 0.000 1.280 196 G CA 0.049 45.160 45.100 0.018 0.000 0.975 196 G HN 1.249 nan 8.290 nan 0.000 0.510 197 T N -1.387 113.179 114.554 0.021 0.000 2.889 197 T HA 0.599 4.955 4.350 0.009 0.000 0.315 197 T C -0.185 174.486 174.700 -0.048 0.000 1.291 197 T CA 0.074 62.162 62.100 -0.020 0.000 1.028 197 T CB 1.854 70.695 68.868 -0.045 0.000 1.235 197 T HN 0.477 nan 8.240 nan 0.000 0.491 198 E N 1.792 121.955 120.200 -0.062 0.000 2.481 198 E HA 0.103 4.459 4.350 0.009 0.000 0.198 198 E C 0.287 176.839 176.600 -0.080 0.000 1.027 198 E CA -0.129 56.234 56.400 -0.062 0.000 0.900 198 E CB 0.131 29.799 29.700 -0.054 0.000 0.993 198 E HN 0.472 nan 8.360 nan 0.000 0.482 199 N N 1.861 120.493 118.700 -0.112 0.000 2.402 199 N HA -0.026 4.719 4.740 0.009 0.000 0.259 199 N C 0.994 176.415 175.510 -0.149 0.000 1.167 199 N CA 0.561 53.530 53.050 -0.135 0.000 0.949 199 N CB 0.696 39.077 38.487 -0.177 0.000 1.212 199 N HN 0.205 nan 8.380 nan 0.000 0.493 200 E N 2.109 122.247 120.200 -0.104 0.000 2.160 200 E HA -0.194 4.162 4.350 0.009 0.000 0.195 200 E C 1.571 178.111 176.600 -0.100 0.000 0.991 200 E CA 1.707 58.053 56.400 -0.089 0.000 0.810 200 E CB -0.512 29.151 29.700 -0.061 0.000 0.742 200 E HN 0.738 nan 8.360 nan 0.000 0.466 201 E N 0.067 120.202 120.200 -0.107 0.000 2.047 201 E HA -0.054 4.302 4.350 0.009 0.000 0.191 201 E C 2.406 178.918 176.600 -0.147 0.000 0.987 201 E CA 0.977 57.317 56.400 -0.100 0.000 0.799 201 E CB -0.504 29.146 29.700 -0.083 0.000 0.752 201 E HN 0.707 nan 8.360 nan 0.000 0.449 202 L N 0.004 121.072 121.223 -0.257 0.000 2.083 202 L HA -0.115 4.230 4.340 0.009 0.000 0.209 202 L C 2.667 179.272 176.870 -0.441 0.000 1.083 202 L CA 1.154 55.700 54.840 -0.489 0.000 0.752 202 L CB -0.521 40.973 42.059 -0.941 0.000 0.899 202 L HN 0.223 nan 8.230 nan 0.000 0.433 203 L N -0.520 120.524 121.223 -0.298 0.000 2.083 203 L HA -0.208 4.138 4.340 0.009 0.000 0.209 203 L C 2.694 179.537 176.870 -0.045 0.000 1.083 203 L CA 1.135 55.896 54.840 -0.131 0.000 0.752 203 L CB -0.384 41.620 42.059 -0.090 0.000 0.899 203 L HN 0.082 nan 8.230 nan 0.000 0.433 204 K N -1.595 118.773 120.400 -0.055 0.000 2.361 204 K HA -0.015 4.311 4.320 0.009 0.000 0.196 204 K C 0.266 176.865 176.600 -0.001 0.000 1.039 204 K CA 0.119 56.394 56.287 -0.020 0.000 1.001 204 K CB -0.465 32.020 32.500 -0.025 0.000 0.795 204 K HN 0.273 nan 8.250 nan 0.000 0.495 205 D N 1.367 121.766 120.400 -0.001 0.000 2.336 205 D HA 0.098 4.744 4.640 0.009 0.000 0.249 205 D C -1.536 174.807 176.300 0.072 0.000 1.213 205 D CA -2.486 51.532 54.000 0.030 0.000 0.870 205 D CB 1.528 42.344 40.800 0.027 0.000 1.076 205 D HN 0.021 nan 8.370 nan 0.000 0.483 206 P HA -0.109 nan 4.420 nan 0.000 0.223 206 P C 1.236 178.569 177.300 0.056 0.000 1.144 206 P CA 0.683 63.813 63.100 0.050 0.000 0.783 206 P CB 0.288 32.007 31.700 0.030 0.000 0.771 207 L N -2.600 118.665 121.223 0.071 0.000 2.591 207 L HA 0.091 4.437 4.340 0.009 0.000 0.228 207 L C 1.183 178.112 176.870 0.098 0.000 1.133 207 L CA -0.481 54.400 54.840 0.068 0.000 0.880 207 L CB -0.842 41.260 42.059 0.072 0.000 1.033 207 L HN -0.071 nan 8.230 nan 0.000 0.450 208 Y N 2.528 122.819 120.300 -0.015 0.000 2.717 208 Y HA -0.077 4.479 4.550 0.011 0.000 0.330 208 Y C 1.371 177.235 175.900 -0.060 0.000 1.217 208 Y CA -0.466 57.621 58.100 -0.022 0.000 1.506 208 Y CB 0.499 38.949 38.460 -0.017 0.000 1.268 208 Y HN 0.125 nan 8.280 nan 0.000 0.561 209 I N 2.733 122.997 120.570 -0.511 0.000 3.578 209 I HA 0.353 4.529 4.170 0.009 0.000 0.295 209 I C 0.941 176.587 176.117 -0.785 0.000 1.280 209 I CA 0.257 61.200 61.300 -0.595 0.000 1.347 209 I CB -0.418 37.238 38.000 -0.574 0.000 1.051 209 I HN 0.609 nan 8.210 nan 0.000 0.460 210 G N 1.678 109.572 108.800 -1.510 0.000 2.535 210 G HA2 0.546 4.512 3.960 0.009 0.000 0.303 210 G HA3 0.546 4.512 3.960 0.009 0.000 0.303 210 G C -0.330 174.295 174.900 -0.457 0.000 1.237 210 G CA -0.931 43.612 45.100 -0.928 0.000 0.986 210 G HN 0.170 nan 8.290 nan 0.000 0.494 211 L N 0.291 121.430 121.223 -0.139 0.000 2.584 211 L HA 0.093 4.439 4.340 0.009 0.000 0.272 211 L C 1.295 178.248 176.870 0.139 0.000 1.195 211 L CA 0.020 54.861 54.840 0.001 0.000 0.920 211 L CB 0.392 42.440 42.059 -0.019 0.000 1.173 211 L HN 0.480 nan 8.230 nan 0.000 0.489 212 R N 4.405 124.983 120.500 0.131 0.000 3.710 212 R HA 0.104 4.450 4.340 0.009 0.000 0.201 212 R C -0.677 175.686 176.300 0.105 0.000 1.641 212 R CA -0.082 56.120 56.100 0.170 0.000 1.390 212 R CB -0.015 30.360 30.300 0.125 0.000 1.341 212 R HN 0.737 nan 8.270 nan 0.000 0.728 213 Q N 0.558 120.416 119.800 0.096 0.000 2.647 213 Q HA 0.329 4.675 4.340 0.009 0.000 0.283 213 Q C -1.247 174.772 176.000 0.032 0.000 0.943 213 Q CA -1.173 54.663 55.803 0.055 0.000 0.813 213 Q CB 0.853 29.628 28.738 0.061 0.000 1.477 213 Q HN 0.130 nan 8.270 nan 0.000 0.393 214 R N 0.732 121.240 120.500 0.014 0.000 2.679 214 R HA 0.357 4.702 4.340 0.009 0.000 0.269 214 R C -0.288 176.010 176.300 -0.003 0.000 1.076 214 R CA -0.630 55.468 56.100 -0.002 0.000 1.160 214 R CB 0.428 30.724 30.300 -0.007 0.000 1.054 214 R HN 0.492 nan 8.270 nan 0.000 0.507 215 R N 0.717 121.209 120.500 -0.013 0.000 2.537 215 R HA 0.068 4.413 4.340 0.009 0.000 0.280 215 R C -0.183 176.115 176.300 -0.002 0.000 1.058 215 R CA -0.201 55.893 56.100 -0.010 0.000 1.057 215 R CB 0.340 30.620 30.300 -0.035 0.000 0.973 215 R HN 0.258 nan 8.270 nan 0.000 0.438 216 V N 4.934 124.863 119.914 0.025 0.000 2.686 216 V HA 0.225 4.351 4.120 0.009 0.000 0.295 216 V C 0.749 176.890 176.094 0.078 0.000 1.055 216 V CA 0.068 62.399 62.300 0.052 0.000 1.050 216 V CB 0.793 32.644 31.823 0.046 0.000 0.984 216 V HN 0.792 nan 8.190 nan 0.000 0.482 217 R N 2.507 123.040 120.500 0.055 0.000 2.885 217 R HA 0.798 5.144 4.340 0.009 0.000 0.260 217 R C 0.449 176.801 176.300 0.087 0.000 1.107 217 R CA -0.305 55.801 56.100 0.010 0.000 0.978 217 R CB 0.946 31.212 30.300 -0.056 0.000 1.227 217 R HN 0.996 nan 8.270 nan 0.000 0.473 218 G N 0.552 109.398 108.800 0.076 0.000 2.552 218 G HA2 -0.418 3.548 3.960 0.009 0.000 0.265 218 G HA3 -0.418 3.548 3.960 0.009 0.000 0.265 218 G C 0.778 175.771 174.900 0.155 0.000 1.234 218 G CA 0.611 45.769 45.100 0.096 0.000 0.944 218 G HN 0.657 nan 8.290 nan 0.000 0.568 219 S N -0.391 115.378 115.700 0.116 0.000 2.359 219 S HA -0.174 4.301 4.470 0.009 0.000 0.223 219 S C 2.349 177.034 174.600 0.142 0.000 1.039 219 S CA 2.512 60.781 58.200 0.116 0.000 1.042 219 S CB -0.585 62.663 63.200 0.081 0.000 0.915 219 S HN 1.137 nan 8.310 nan 0.000 0.439 220 E N -0.466 119.813 120.200 0.132 0.000 2.147 220 E HA -0.192 4.164 4.350 0.009 0.000 0.199 220 E C 1.708 178.432 176.600 0.206 0.000 1.005 220 E CA 1.562 58.043 56.400 0.135 0.000 0.810 220 E CB -0.998 28.759 29.700 0.094 0.000 0.736 220 E HN 0.874 nan 8.360 nan 0.000 0.460 221 Y N 1.638 122.016 120.300 0.129 0.000 2.153 221 Y HA -0.154 4.403 4.550 0.011 0.000 0.289 221 Y C 2.039 178.082 175.900 0.238 0.000 1.127 221 Y CA 1.940 60.157 58.100 0.196 0.000 1.131 221 Y CB -0.170 38.380 38.460 0.149 0.000 0.995 221 Y HN 0.111 nan 8.280 nan 0.000 0.505 222 D N 0.080 120.644 120.400 0.273 0.000 2.097 222 D HA -0.174 4.471 4.640 0.009 0.000 0.195 222 D C 1.646 178.027 176.300 0.136 0.000 0.989 222 D CA 1.618 55.726 54.000 0.180 0.000 0.827 222 D CB -0.469 40.438 40.800 0.177 0.000 0.966 222 D HN 0.406 nan 8.370 nan 0.000 0.456 223 D N 0.261 120.748 120.400 0.145 0.000 2.116 223 D HA -0.176 4.470 4.640 0.009 0.000 0.193 223 D C 1.772 178.167 176.300 0.157 0.000 0.998 223 D CA 0.524 54.606 54.000 0.136 0.000 0.836 223 D CB -0.560 40.317 40.800 0.127 0.000 0.951 223 D HN 0.136 nan 8.370 nan 0.000 0.449 224 F N 0.752 120.695 119.950 -0.011 0.000 2.095 224 F HA -0.142 4.389 4.527 0.007 0.000 0.298 224 F C 2.053 177.835 175.800 -0.029 0.000 1.104 224 F CA 1.046 59.020 58.000 -0.042 0.000 1.232 224 F CB -0.504 38.436 39.000 -0.100 0.000 0.987 224 F HN -0.088 nan 8.300 nan 0.000 0.475 225 L N 0.067 121.181 121.223 -0.181 0.000 2.109 225 L HA -0.162 4.184 4.340 0.009 0.000 0.207 225 L C 2.148 179.028 176.870 0.017 0.000 1.086 225 L CA 1.414 56.164 54.840 -0.150 0.000 0.760 225 L CB -0.857 41.194 42.059 -0.013 0.000 0.910 225 L HN -0.001 nan 8.230 nan 0.000 0.437 226 D N -0.278 120.194 120.400 0.120 0.000 2.106 226 D HA -0.280 4.365 4.640 0.009 0.000 0.191 226 D C 2.045 178.324 176.300 -0.036 0.000 0.997 226 D CA 1.564 55.633 54.000 0.115 0.000 0.834 226 D CB -0.073 40.825 40.800 0.163 0.000 0.956 226 D HN 0.400 nan 8.370 nan 0.000 0.448 227 E N -0.641 119.546 120.200 -0.020 0.000 2.077 227 E HA -0.197 4.159 4.350 0.009 0.000 0.193 227 E C 2.130 178.663 176.600 -0.112 0.000 0.989 227 E CA 0.551 56.926 56.400 -0.042 0.000 0.800 227 E CB -0.254 29.457 29.700 0.019 0.000 0.746 227 E HN 0.251 nan 8.360 nan 0.000 0.452 228 F N 1.487 121.238 119.950 -0.333 0.000 2.043 228 F HA -0.286 4.246 4.527 0.008 0.000 0.297 228 F C 2.175 177.746 175.800 -0.383 0.000 1.121 228 F CA 1.788 59.556 58.000 -0.386 0.000 1.199 228 F CB -0.361 38.321 39.000 -0.530 0.000 0.968 228 F HN 0.035 nan 8.300 nan 0.000 0.478 229 M N 0.556 119.722 119.600 -0.724 0.000 2.108 229 M HA -0.215 4.270 4.480 0.009 0.000 0.261 229 M C 2.098 177.909 176.300 -0.816 0.000 1.066 229 M CA 1.759 56.403 55.300 -1.094 0.000 1.107 229 M CB -1.520 30.226 32.600 -1.423 0.000 1.356 229 M HN 0.344 nan 8.290 nan 0.000 0.406 230 E N 0.288 120.229 120.200 -0.431 0.000 2.051 230 E HA -0.136 4.219 4.350 0.009 0.000 0.192 230 E C 2.141 178.613 176.600 -0.213 0.000 0.991 230 E CA 1.358 57.646 56.400 -0.186 0.000 0.799 230 E CB -0.177 29.482 29.700 -0.069 0.000 0.748 230 E HN 0.526 nan 8.360 nan 0.000 0.449 231 A N 0.963 123.632 122.820 -0.253 0.000 1.877 231 A HA -0.145 4.181 4.320 0.009 0.000 0.216 231 A C 2.509 179.923 177.584 -0.282 0.000 1.186 231 A CA 1.200 53.110 52.037 -0.212 0.000 0.620 231 A CB -0.705 18.204 19.000 -0.152 0.000 0.822 231 A HN 0.126 nan 8.150 nan 0.000 0.443 232 V N 0.868 120.540 119.914 -0.403 0.000 2.307 232 V HA -0.229 3.896 4.120 0.009 0.000 0.245 232 V C 3.029 178.995 176.094 -0.214 0.000 1.045 232 V CA 2.459 64.552 62.300 -0.345 0.000 1.024 232 V CB -0.668 30.771 31.823 -0.640 0.000 0.651 232 V HN 0.807 nan 8.190 nan 0.000 0.449 233 S N -0.486 115.070 115.700 -0.240 0.000 2.368 233 S HA -0.217 4.258 4.470 0.009 0.000 0.224 233 S C 2.182 176.751 174.600 -0.053 0.000 1.029 233 S CA 1.640 59.795 58.200 -0.074 0.000 0.988 233 S CB -0.729 62.507 63.200 0.060 0.000 0.838 233 S HN 0.555 nan 8.310 nan 0.000 0.462 234 S N 2.161 117.806 115.700 -0.091 0.000 2.370 234 S HA -0.175 4.301 4.470 0.009 0.000 0.226 234 S C 1.959 176.480 174.600 -0.130 0.000 1.033 234 S CA 1.670 59.819 58.200 -0.085 0.000 1.011 234 S CB -0.439 62.709 63.200 -0.087 0.000 0.852 234 S HN 0.680 nan 8.310 nan 0.000 0.457 235 K N -0.944 119.307 120.400 -0.249 0.000 2.067 235 K HA 0.030 4.355 4.320 0.009 0.000 0.203 235 K C 1.569 177.960 176.600 -0.349 0.000 1.048 235 K CA 1.244 57.296 56.287 -0.393 0.000 0.954 235 K CB -0.283 31.780 32.500 -0.728 0.000 0.737 235 K HN 0.589 nan 8.250 nan 0.000 0.444 236 Y N -0.039 120.233 120.300 -0.046 0.000 2.478 236 Y HA 0.268 4.825 4.550 0.012 0.000 0.261 236 Y C 0.722 176.610 175.900 -0.021 0.000 1.127 236 Y CA -0.116 57.964 58.100 -0.033 0.000 1.288 236 Y CB 1.235 39.660 38.460 -0.059 0.000 1.084 236 Y HN 0.312 nan 8.280 nan 0.000 0.530 237 G N -0.210 108.638 108.800 0.080 0.000 2.587 237 G HA2 -0.175 3.790 3.960 0.009 0.000 0.686 237 G HA3 -0.175 3.790 3.960 0.009 0.000 0.686 237 G C 0.041 174.981 174.900 0.067 0.000 1.236 237 G CA -0.592 44.545 45.100 0.062 0.000 0.820 237 G HN -0.094 nan 8.290 nan 0.000 0.645 238 M N 0.714 120.352 119.600 0.063 0.000 2.460 238 M HA 0.006 4.492 4.480 0.009 0.000 0.263 238 M C 1.926 178.272 176.300 0.077 0.000 1.071 238 M CA 0.746 56.095 55.300 0.081 0.000 1.096 238 M CB -0.905 31.727 32.600 0.053 0.000 1.408 238 M HN 0.572 nan 8.290 nan 0.000 0.463 239 N N -0.195 118.543 118.700 0.064 0.000 2.461 239 N HA -0.028 4.717 4.740 0.009 0.000 0.188 239 N C 0.218 175.764 175.510 0.060 0.000 1.134 239 N CA 0.132 53.218 53.050 0.060 0.000 0.878 239 N CB 0.292 38.811 38.487 0.053 0.000 0.972 239 N HN 0.308 nan 8.380 nan 0.000 0.456 240 C N 1.852 121.188 119.300 0.059 0.000 2.499 240 C HA 0.355 4.821 4.460 0.009 0.000 0.386 240 C C 0.740 175.750 174.990 0.034 0.000 1.293 240 C CA -1.043 57.995 59.018 0.033 0.000 1.884 240 C CB -1.150 26.608 27.740 0.030 0.000 2.509 240 C HN 0.291 nan 8.230 nan 0.000 0.566 241 L N 7.279 128.528 121.223 0.043 0.000 2.349 241 L HA 0.575 4.920 4.340 0.009 0.000 0.275 241 L C -0.536 176.358 176.870 0.040 0.000 1.115 241 L CA -0.022 54.880 54.840 0.102 0.000 0.820 241 L CB 0.466 42.632 42.059 0.180 0.000 1.135 241 L HN 0.675 nan 8.230 nan 0.000 0.445 242 I N 5.486 126.095 120.570 0.066 0.000 2.448 242 I HA 0.274 4.449 4.170 0.009 0.000 0.281 242 I C -0.608 175.480 176.117 -0.049 0.000 1.027 242 I CA -0.344 60.921 61.300 -0.057 0.000 1.111 242 I CB 1.507 39.439 38.000 -0.113 0.000 1.236 242 I HN 0.620 nan 8.210 nan 0.000 0.452 243 Q N 6.179 125.861 119.800 -0.197 0.000 2.314 243 Q HA 0.441 4.786 4.340 0.009 0.000 0.259 243 Q C -1.364 174.474 176.000 -0.270 0.000 0.951 243 Q CA -0.678 54.910 55.803 -0.357 0.000 0.909 243 Q CB 1.421 29.859 28.738 -0.501 0.000 1.236 243 Q HN 0.399 nan 8.270 nan 0.000 0.444 244 F N 2.252 122.061 119.950 -0.235 0.000 2.399 244 F HA 0.315 4.848 4.527 0.010 0.000 0.342 244 F C 0.546 176.333 175.800 -0.022 0.000 1.106 244 F CA -0.116 57.822 58.000 -0.104 0.000 1.196 244 F CB 1.108 39.946 39.000 -0.270 0.000 1.163 244 F HN 0.542 nan 8.300 nan 0.000 0.547 245 E N 0.813 121.226 120.200 0.354 0.000 2.352 245 E HA 0.273 4.629 4.350 0.009 0.000 0.280 245 E C -1.333 175.435 176.600 0.280 0.000 0.930 245 E CA -0.558 55.988 56.400 0.243 0.000 0.765 245 E CB 1.138 30.880 29.700 0.070 0.000 1.219 245 E HN 0.557 nan 8.360 nan 0.000 0.434 246 D N 1.743 122.258 120.400 0.193 0.000 2.837 246 D HA -0.206 4.440 4.640 0.009 0.000 0.230 246 D C -0.833 175.488 176.300 0.035 0.000 1.152 246 D CA 1.019 55.068 54.000 0.081 0.000 0.736 246 D CB -1.299 39.494 40.800 -0.011 0.000 1.084 246 D HN 0.223 nan 8.370 nan 0.000 0.429 247 F N 0.517 120.503 119.950 0.059 0.000 2.410 247 F HA 0.506 5.038 4.527 0.009 0.000 0.334 247 F C 1.553 177.372 175.800 0.032 0.000 1.134 247 F CA -0.407 57.636 58.000 0.072 0.000 1.227 247 F CB 0.507 39.587 39.000 0.134 0.000 1.194 247 F HN -0.011 nan 8.300 nan 0.000 0.571 248 A N 1.693 124.614 122.820 0.168 0.000 2.520 248 A HA 0.294 4.620 4.320 0.009 0.000 0.235 248 A C 1.301 178.942 177.584 0.095 0.000 1.065 248 A CA 0.306 52.394 52.037 0.084 0.000 0.764 248 A CB -0.775 18.240 19.000 0.025 0.000 1.002 248 A HN 1.023 nan 8.150 nan 0.000 0.502 249 N N 0.649 119.380 118.700 0.052 0.000 2.094 249 N HA -0.143 4.603 4.740 0.009 0.000 0.191 249 N C 1.528 177.051 175.510 0.022 0.000 1.023 249 N CA 2.253 55.325 53.050 0.037 0.000 0.857 249 N CB -0.642 37.858 38.487 0.021 0.000 1.013 249 N HN 0.545 nan 8.380 nan 0.000 0.426 250 V N 0.808 120.730 119.914 0.014 0.000 2.535 250 V HA -0.084 4.041 4.120 0.009 0.000 0.246 250 V C 1.932 178.025 176.094 -0.002 0.000 1.045 250 V CA 1.018 63.317 62.300 -0.002 0.000 1.058 250 V CB -0.468 31.349 31.823 -0.010 0.000 0.689 250 V HN 0.526 nan 8.190 nan 0.000 0.461 251 N N 0.782 119.498 118.700 0.026 0.000 2.104 251 N HA -0.131 4.615 4.740 0.009 0.000 0.190 251 N C 1.883 177.395 175.510 0.003 0.000 1.024 251 N CA 1.677 54.764 53.050 0.062 0.000 0.853 251 N CB -0.395 38.200 38.487 0.181 0.000 1.008 251 N HN 0.473 nan 8.380 nan 0.000 0.424 252 A N 0.014 122.848 122.820 0.022 0.000 1.858 252 A HA -0.120 4.205 4.320 0.009 0.000 0.216 252 A C 2.464 179.964 177.584 -0.141 0.000 1.190 252 A CA 1.383 53.382 52.037 -0.063 0.000 0.617 252 A CB -1.188 17.835 19.000 0.038 0.000 0.827 252 A HN 0.252 nan 8.150 nan 0.000 0.443 253 F N -1.131 118.769 119.950 -0.082 0.000 2.206 253 F HA -0.089 4.444 4.527 0.009 0.000 0.298 253 F C 3.064 178.789 175.800 -0.124 0.000 1.090 253 F CA 1.080 59.026 58.000 -0.090 0.000 1.323 253 F CB -1.089 37.881 39.000 -0.050 0.000 1.028 253 F HN 0.510 nan 8.300 nan 0.000 0.492 254 R N 0.092 120.522 120.500 -0.117 0.000 2.075 254 R HA -0.073 4.272 4.340 0.009 0.000 0.232 254 R C 2.245 178.405 176.300 -0.234 0.000 1.126 254 R CA 1.500 57.521 56.100 -0.133 0.000 0.963 254 R CB -1.209 29.043 30.300 -0.080 0.000 0.858 254 R HN 0.644 nan 8.270 nan 0.000 0.435 255 L N 0.174 121.222 121.223 -0.291 0.000 2.027 255 L HA -0.039 4.306 4.340 0.009 0.000 0.206 255 L C 2.634 179.188 176.870 -0.528 0.000 1.074 255 L CA 1.435 55.984 54.840 -0.485 0.000 0.745 255 L CB -0.606 41.117 42.059 -0.561 0.000 0.898 255 L HN 0.266 nan 8.230 nan 0.000 0.433 256 L N 0.267 121.228 121.223 -0.436 0.000 2.012 256 L HA -0.235 4.110 4.340 0.009 0.000 0.210 256 L C 2.257 179.039 176.870 -0.146 0.000 1.073 256 L CA 1.910 56.581 54.840 -0.281 0.000 0.748 256 L CB -0.830 41.124 42.059 -0.175 0.000 0.891 256 L HN 0.270 nan 8.230 nan 0.000 0.431 257 N N -0.149 118.461 118.700 -0.150 0.000 2.244 257 N HA -0.199 4.547 4.740 0.009 0.000 0.183 257 N C 1.813 177.252 175.510 -0.120 0.000 1.016 257 N CA 1.287 54.277 53.050 -0.100 0.000 0.866 257 N CB -0.227 38.203 38.487 -0.093 0.000 0.980 257 N HN 0.488 nan 8.380 nan 0.000 0.430 258 K N -0.019 120.238 120.400 -0.239 0.000 2.148 258 K HA -0.086 4.239 4.320 0.009 0.000 0.204 258 K C 1.052 177.539 176.600 -0.189 0.000 1.050 258 K CA 1.145 57.246 56.287 -0.310 0.000 0.942 258 K CB 0.049 32.205 32.500 -0.573 0.000 0.724 258 K HN 0.285 nan 8.250 nan 0.000 0.446 259 Y N -0.334 119.986 120.300 0.034 0.000 2.483 259 Y HA 0.125 4.681 4.550 0.010 0.000 0.258 259 Y C 2.001 177.996 175.900 0.157 0.000 1.083 259 Y CA -0.415 57.785 58.100 0.167 0.000 1.283 259 Y CB 0.406 39.003 38.460 0.228 0.000 1.178 259 Y HN 0.009 nan 8.280 nan 0.000 0.515 260 R N 0.527 121.161 120.500 0.223 0.000 2.237 260 R HA -0.082 4.264 4.340 0.009 0.000 0.219 260 R C 0.491 176.867 176.300 0.126 0.000 1.080 260 R CA 1.339 57.555 56.100 0.193 0.000 0.995 260 R CB -0.312 30.084 30.300 0.161 0.000 0.875 260 R HN 0.250 nan 8.270 nan 0.000 0.462 261 N N 0.480 119.227 118.700 0.079 0.000 2.422 261 N HA -0.038 4.707 4.740 0.009 0.000 0.181 261 N C 0.912 176.406 175.510 -0.028 0.000 1.080 261 N CA 0.686 53.752 53.050 0.027 0.000 0.893 261 N CB 0.400 38.893 38.487 0.011 0.000 0.973 261 N HN 0.329 nan 8.380 nan 0.000 0.456 262 Q N -0.825 118.938 119.800 -0.062 0.000 2.394 262 Q HA 0.239 4.584 4.340 0.009 0.000 0.218 262 Q C -0.236 175.443 176.000 -0.535 0.000 0.907 262 Q CA 0.733 56.333 55.803 -0.339 0.000 0.919 262 Q CB 0.343 28.790 28.738 -0.485 0.000 1.051 262 Q HN 0.339 nan 8.270 nan 0.000 0.538 263 Y N -2.111 118.234 120.300 0.075 0.000 2.633 263 Y HA 0.387 4.943 4.550 0.009 0.000 0.339 263 Y C -0.521 175.426 175.900 0.078 0.000 1.045 263 Y CA -1.685 56.442 58.100 0.045 0.000 1.098 263 Y CB 1.345 39.806 38.460 0.002 0.000 1.296 263 Y HN -0.187 nan 8.280 nan 0.000 0.494 264 C N 2.353 121.801 119.300 0.248 0.000 2.262 264 C HA 0.566 5.031 4.460 0.009 0.000 0.413 264 C C 0.077 175.214 174.990 0.246 0.000 1.019 264 C CA 0.275 59.407 59.018 0.189 0.000 1.320 264 C CB -2.305 25.515 27.740 0.134 0.000 1.657 264 C HN 0.711 nan 8.230 nan 0.000 0.510 265 T N 4.230 118.972 114.554 0.313 0.000 2.883 265 T HA 0.814 5.170 4.350 0.009 0.000 0.301 265 T C -1.038 173.982 174.700 0.533 0.000 1.158 265 T CA -0.356 61.980 62.100 0.393 0.000 1.007 265 T CB 1.292 70.402 68.868 0.404 0.000 1.186 265 T HN 0.915 nan 8.240 nan 0.000 0.499 266 F N 1.428 121.565 119.950 0.312 0.000 2.773 266 F HA 0.652 5.185 4.527 0.009 0.000 0.314 266 F C -1.709 174.272 175.800 0.301 0.000 1.160 266 F CA -1.167 57.016 58.000 0.306 0.000 0.920 266 F CB 1.292 40.541 39.000 0.415 0.000 1.323 266 F HN 0.474 nan 8.300 nan 0.000 0.457 267 N N 1.707 120.547 118.700 0.234 0.000 2.443 267 N HA 0.177 4.922 4.740 0.009 0.000 0.269 267 N C -0.545 175.064 175.510 0.164 0.000 0.985 267 N CA -0.148 52.940 53.050 0.063 0.000 0.921 267 N CB 1.801 40.311 38.487 0.039 0.000 1.195 267 N HN 0.997 nan 8.380 nan 0.000 0.492 268 D N 2.455 122.883 120.400 0.047 0.000 2.162 268 D HA -0.072 4.574 4.640 0.009 0.000 0.203 268 D C 0.637 177.031 176.300 0.156 0.000 0.967 268 D CA 1.070 55.221 54.000 0.252 0.000 0.840 268 D CB 0.423 41.339 40.800 0.194 0.000 0.972 268 D HN 0.488 nan 8.370 nan 0.000 0.482 269 D N 0.248 120.709 120.400 0.102 0.000 2.149 269 D HA -0.181 4.465 4.640 0.009 0.000 0.194 269 D C 2.106 178.448 176.300 0.070 0.000 1.001 269 D CA 1.269 55.323 54.000 0.091 0.000 0.849 269 D CB -0.267 40.586 40.800 0.088 0.000 0.939 269 D HN 0.572 nan 8.370 nan 0.000 0.449 270 I N -1.917 118.687 120.570 0.056 0.000 2.927 270 I HA -0.027 4.149 4.170 0.009 0.000 0.268 270 I C 1.764 177.862 176.117 -0.033 0.000 1.153 270 I CA 0.413 61.726 61.300 0.021 0.000 1.459 270 I CB 0.016 38.026 38.000 0.015 0.000 1.149 270 I HN -0.186 nan 8.210 nan 0.000 0.443 271 Q N 1.464 121.222 119.800 -0.069 0.000 2.204 271 Q HA 0.122 4.468 4.340 0.009 0.000 0.198 271 Q C 2.242 177.987 176.000 -0.425 0.000 0.946 271 Q CA 1.240 56.811 55.803 -0.387 0.000 0.859 271 Q CB -0.104 28.254 28.738 -0.633 0.000 0.946 271 Q HN 0.686 nan 8.270 nan 0.000 0.474 272 G N 0.553 109.320 108.800 -0.055 0.000 2.421 272 G HA2 -0.250 3.716 3.960 0.009 0.000 0.216 272 G HA3 -0.250 3.716 3.960 0.009 0.000 0.216 272 G C 1.394 176.336 174.900 0.070 0.000 1.171 272 G CA 1.385 46.551 45.100 0.110 0.000 0.775 272 G HN 0.241 nan 8.290 nan 0.000 0.543 273 T N 1.977 116.569 114.554 0.063 0.000 2.635 273 T HA -0.150 4.205 4.350 0.009 0.000 0.267 273 T C 2.794 177.504 174.700 0.017 0.000 1.040 273 T CA 1.941 64.067 62.100 0.045 0.000 1.156 273 T CB -0.569 68.325 68.868 0.044 0.000 0.863 273 T HN 0.404 nan 8.240 nan 0.000 0.430 274 A N 0.946 123.753 122.820 -0.022 0.000 1.917 274 A HA -0.161 4.164 4.320 0.009 0.000 0.219 274 A C 2.586 180.167 177.584 -0.005 0.000 1.182 274 A CA 2.390 54.413 52.037 -0.024 0.000 0.633 274 A CB -1.154 17.802 19.000 -0.074 0.000 0.819 274 A HN 0.466 nan 8.150 nan 0.000 0.448 275 S N -0.625 115.061 115.700 -0.022 0.000 2.338 275 S HA -0.149 4.327 4.470 0.009 0.000 0.218 275 S C 2.092 176.744 174.600 0.087 0.000 1.032 275 S CA 2.196 60.433 58.200 0.062 0.000 0.999 275 S CB -0.910 62.372 63.200 0.138 0.000 0.905 275 S HN 0.933 nan 8.310 nan 0.000 0.439 276 V N 1.208 121.178 119.914 0.094 0.000 2.332 276 V HA -0.045 4.080 4.120 0.009 0.000 0.248 276 V C 2.633 178.782 176.094 0.093 0.000 1.055 276 V CA 1.819 64.192 62.300 0.122 0.000 1.038 276 V CB -1.922 29.940 31.823 0.065 0.000 0.651 276 V HN 0.528 nan 8.190 nan 0.000 0.450 277 A N 0.249 123.088 122.820 0.031 0.000 1.986 277 A HA -0.114 4.211 4.320 0.009 0.000 0.220 277 A C 2.373 179.983 177.584 0.043 0.000 1.171 277 A CA 2.420 54.449 52.037 -0.013 0.000 0.640 277 A CB -0.868 18.160 19.000 0.045 0.000 0.811 277 A HN 0.496 nan 8.150 nan 0.000 0.451 278 V N -0.560 119.395 119.914 0.068 0.000 2.346 278 V HA -0.131 3.995 4.120 0.009 0.000 0.244 278 V C 3.011 179.135 176.094 0.051 0.000 1.037 278 V CA 1.571 63.919 62.300 0.080 0.000 1.029 278 V CB -1.170 30.692 31.823 0.066 0.000 0.663 278 V HN 0.593 nan 8.190 nan 0.000 0.454 279 A N 0.709 123.553 122.820 0.040 0.000 2.032 279 A HA -0.147 4.178 4.320 0.009 0.000 0.221 279 A C 2.339 179.827 177.584 -0.161 0.000 1.165 279 A CA 2.038 54.069 52.037 -0.010 0.000 0.645 279 A CB -1.073 17.960 19.000 0.056 0.000 0.807 279 A HN 0.547 nan 8.150 nan 0.000 0.453 280 G N -1.151 107.516 108.800 -0.222 0.000 2.394 280 G HA2 -0.033 3.933 3.960 0.009 0.000 0.215 280 G HA3 -0.033 3.933 3.960 0.009 0.000 0.215 280 G C 1.625 176.563 174.900 0.064 0.000 1.165 280 G CA 1.053 45.907 45.100 -0.408 0.000 0.784 280 G HN 0.480 nan 8.290 nan 0.000 0.535 281 L N 0.494 121.855 121.223 0.231 0.000 2.017 281 L HA 0.167 4.513 4.340 0.009 0.000 0.208 281 L C 3.085 180.012 176.870 0.096 0.000 1.073 281 L CA 1.486 56.483 54.840 0.262 0.000 0.745 281 L CB -0.897 41.302 42.059 0.234 0.000 0.894 281 L HN 0.465 nan 8.230 nan 0.000 0.432 282 L N -0.382 120.867 121.223 0.043 0.000 2.012 282 L HA -0.172 4.173 4.340 0.009 0.000 0.210 282 L C 2.968 179.831 176.870 -0.012 0.000 1.073 282 L CA 1.604 56.450 54.840 0.010 0.000 0.748 282 L CB -1.187 40.872 42.059 -0.001 0.000 0.891 282 L HN 0.456 nan 8.230 nan 0.000 0.431 283 A N 0.292 123.081 122.820 -0.051 0.000 1.917 283 A HA -0.232 4.094 4.320 0.009 0.000 0.219 283 A C 2.552 180.121 177.584 -0.025 0.000 1.182 283 A CA 1.967 53.959 52.037 -0.075 0.000 0.633 283 A CB -0.735 18.153 19.000 -0.187 0.000 0.819 283 A HN 0.434 nan 8.150 nan 0.000 0.448 284 A N -0.258 122.573 122.820 0.017 0.000 1.933 284 A HA -0.052 4.274 4.320 0.009 0.000 0.218 284 A C 2.112 179.708 177.584 0.020 0.000 1.175 284 A CA 1.497 53.558 52.037 0.041 0.000 0.628 284 A CB -0.623 18.418 19.000 0.069 0.000 0.814 284 A HN 0.509 nan 8.150 nan 0.000 0.444 285 L N -0.947 120.285 121.223 0.015 0.000 2.131 285 L HA -0.195 4.150 4.340 0.009 0.000 0.210 285 L C 2.759 179.633 176.870 0.007 0.000 1.092 285 L CA 1.187 56.032 54.840 0.009 0.000 0.759 285 L CB -0.544 41.521 42.059 0.010 0.000 0.903 285 L HN 0.357 nan 8.230 nan 0.000 0.435 286 R N 0.070 120.572 120.500 0.003 0.000 2.096 286 R HA -0.157 4.189 4.340 0.009 0.000 0.235 286 R C 2.480 178.785 176.300 0.007 0.000 1.127 286 R CA 1.806 57.907 56.100 0.002 0.000 0.968 286 R CB -0.769 29.528 30.300 -0.004 0.000 0.861 286 R HN 0.454 nan 8.270 nan 0.000 0.440 287 I N 0.934 121.512 120.570 0.012 0.000 2.233 287 I HA -0.161 4.015 4.170 0.009 0.000 0.243 287 I C 2.632 178.759 176.117 0.016 0.000 1.093 287 I CA 2.278 63.589 61.300 0.018 0.000 1.380 287 I CB -1.728 36.291 38.000 0.031 0.000 1.067 287 I HN 0.361 nan 8.210 nan 0.000 0.413 288 T N -3.385 111.178 114.554 0.014 0.000 2.995 288 T HA -0.120 4.236 4.350 0.009 0.000 0.269 288 T C 1.084 175.789 174.700 0.009 0.000 1.091 288 T CA 0.804 62.910 62.100 0.010 0.000 1.128 288 T CB -0.379 68.493 68.868 0.006 0.000 0.891 288 T HN 0.633 nan 8.240 nan 0.000 0.492 289 K N 2.342 122.747 120.400 0.008 0.000 3.257 289 K HA -0.141 4.185 4.320 0.009 0.000 0.270 289 K C -0.448 176.156 176.600 0.007 0.000 0.984 289 K CA 1.017 57.308 56.287 0.007 0.000 0.739 289 K CB -2.264 30.240 32.500 0.007 0.000 1.351 289 K HN 0.922 nan 8.250 nan 0.000 0.463 290 N N -2.283 116.421 118.700 0.007 0.000 2.972 290 N HA 0.593 5.339 4.740 0.009 0.000 0.262 290 N C -0.612 174.903 175.510 0.008 0.000 1.478 290 N CA -0.452 52.603 53.050 0.007 0.000 0.841 290 N CB 0.741 39.233 38.487 0.008 0.000 1.512 290 N HN 0.072 nan 8.380 nan 0.000 0.548 291 K N -0.134 120.272 120.400 0.009 0.000 2.098 291 K HA 0.486 4.811 4.320 0.009 0.000 0.257 291 K C 1.096 177.703 176.600 0.012 0.000 0.999 291 K CA -0.451 55.842 56.287 0.009 0.000 0.924 291 K CB -0.008 32.498 32.500 0.009 0.000 1.028 291 K HN 0.567 nan 8.250 nan 0.000 0.466 292 L N 1.694 122.926 121.223 0.014 0.000 2.051 292 L HA -0.216 4.130 4.340 0.009 0.000 0.214 292 L C 2.614 179.496 176.870 0.019 0.000 1.076 292 L CA 3.195 58.045 54.840 0.018 0.000 0.758 292 L CB -0.498 41.572 42.059 0.019 0.000 0.890 292 L HN 0.903 nan 8.230 nan 0.000 0.433 293 S N -2.155 113.554 115.700 0.016 0.000 2.547 293 S HA -0.098 4.377 4.470 0.009 0.000 0.235 293 S C 1.299 175.911 174.600 0.019 0.000 0.980 293 S CA 0.886 59.096 58.200 0.017 0.000 0.941 293 S CB -0.552 62.655 63.200 0.012 0.000 0.763 293 S HN 0.488 nan 8.310 nan 0.000 0.532 294 D N 1.198 121.609 120.400 0.018 0.000 2.340 294 D HA 0.110 4.756 4.640 0.009 0.000 0.220 294 D C 0.456 176.769 176.300 0.023 0.000 1.039 294 D CA 0.354 54.365 54.000 0.018 0.000 0.866 294 D CB 0.070 40.878 40.800 0.014 0.000 0.913 294 D HN 0.470 nan 8.370 nan 0.000 0.523 295 Q N 0.477 120.293 119.800 0.026 0.000 2.221 295 Q HA 0.370 4.716 4.340 0.009 0.000 0.242 295 Q C 0.287 176.321 176.000 0.056 0.000 0.940 295 Q CA -0.047 55.773 55.803 0.030 0.000 0.896 295 Q CB 1.356 30.107 28.738 0.021 0.000 1.226 295 Q HN 0.021 nan 8.270 nan 0.000 0.463 296 T N -3.227 111.369 114.554 0.069 0.000 2.890 296 T HA 0.718 5.074 4.350 0.009 0.000 0.295 296 T C 0.018 174.796 174.700 0.131 0.000 0.993 296 T CA -0.716 61.470 62.100 0.144 0.000 0.979 296 T CB 0.338 69.308 68.868 0.171 0.000 0.967 296 T HN 0.545 nan 8.240 nan 0.000 0.441 297 I N 1.697 122.364 120.570 0.161 0.000 2.354 297 I HA 0.953 5.128 4.170 0.009 0.000 0.292 297 I C 0.177 176.389 176.117 0.159 0.000 0.989 297 I CA -1.550 59.808 61.300 0.097 0.000 1.188 297 I CB 0.310 38.336 38.000 0.043 0.000 1.342 297 I HN 1.199 nan 8.210 nan 0.000 0.457 298 L N 4.175 125.452 121.223 0.090 0.000 2.333 298 L HA 0.961 5.307 4.340 0.009 0.000 0.280 298 L C -0.206 176.708 176.870 0.073 0.000 1.004 298 L CA -0.700 54.196 54.840 0.094 0.000 0.820 298 L CB 0.533 42.609 42.059 0.028 0.000 1.247 298 L HN 2.071 nan 8.230 nan 0.000 0.416 299 F N 1.029 121.027 119.950 0.079 0.000 2.427 299 F HA 0.791 5.324 4.527 0.009 0.000 0.346 299 F C 0.454 176.326 175.800 0.121 0.000 1.120 299 F CA -0.702 57.354 58.000 0.094 0.000 1.033 299 F CB 0.497 39.517 39.000 0.034 0.000 1.126 299 F HN 1.421 nan 8.300 nan 0.000 0.462 300 Q N 2.321 122.236 119.800 0.191 0.000 2.307 300 Q HA 0.618 4.964 4.340 0.009 0.000 0.259 300 Q C 0.509 176.571 176.000 0.103 0.000 0.998 300 Q CA -0.336 55.572 55.803 0.176 0.000 0.923 300 Q CB 0.434 29.338 28.738 0.277 0.000 1.196 300 Q HN 3.026 nan 8.270 nan 0.000 0.416 301 G N -0.317 108.525 108.800 0.071 0.000 2.674 301 G HA2 0.494 4.460 3.960 0.009 0.000 0.686 301 G HA3 0.494 4.460 3.960 0.009 0.000 0.686 301 G C 0.063 174.985 174.900 0.038 0.000 1.195 301 G CA -0.119 45.010 45.100 0.047 0.000 0.776 301 G HN 1.982 nan 8.290 nan 0.000 0.654 302 A N 0.446 123.284 122.820 0.031 0.000 2.543 302 A HA 0.808 5.134 4.320 0.009 0.000 0.279 302 A C 1.109 178.711 177.584 0.029 0.000 0.917 302 A CA 1.042 53.095 52.037 0.026 0.000 1.036 302 A CB -0.071 18.948 19.000 0.032 0.000 1.227 302 A HN 2.236 nan 8.150 nan 0.000 0.503 303 G N -0.915 107.901 108.800 0.027 0.000 2.945 303 G HA2 0.486 4.452 3.960 0.009 0.000 0.156 303 G HA3 0.486 4.452 3.960 0.009 0.000 0.156 303 G C 0.902 175.818 174.900 0.027 0.000 1.375 303 G CA 0.869 45.984 45.100 0.025 0.000 1.039 303 G HN 0.470 nan 8.290 nan 0.000 0.586 304 E N -0.398 119.816 120.200 0.024 0.000 2.019 304 E HA -0.190 4.166 4.350 0.009 0.000 0.208 304 E C 2.783 179.399 176.600 0.026 0.000 1.030 304 E CA 3.265 59.679 56.400 0.023 0.000 0.856 304 E CB -1.375 28.340 29.700 0.025 0.000 0.781 304 E HN 1.089 nan 8.360 nan 0.000 0.471 305 A N 0.968 123.805 122.820 0.028 0.000 1.859 305 A HA 0.104 4.430 4.320 0.009 0.000 0.217 305 A C 2.896 180.500 177.584 0.033 0.000 1.198 305 A CA 3.530 55.585 52.037 0.030 0.000 0.629 305 A CB -1.163 17.857 19.000 0.034 0.000 0.830 305 A HN 1.354 nan 8.150 nan 0.000 0.446 306 A N -0.547 122.292 122.820 0.032 0.000 1.892 306 A HA -0.123 4.203 4.320 0.009 0.000 0.218 306 A C 2.213 179.802 177.584 0.009 0.000 1.188 306 A CA 1.788 53.837 52.037 0.021 0.000 0.631 306 A CB -0.683 18.327 19.000 0.017 0.000 0.822 306 A HN 0.514 nan 8.150 nan 0.000 0.447 307 L N -1.007 120.236 121.223 0.035 0.000 2.109 307 L HA -0.035 4.311 4.340 0.009 0.000 0.207 307 L C 2.849 179.786 176.870 0.112 0.000 1.086 307 L CA 0.837 55.725 54.840 0.079 0.000 0.760 307 L CB -0.874 41.236 42.059 0.085 0.000 0.910 307 L HN 0.481 nan 8.230 nan 0.000 0.437 308 G N 1.614 110.459 108.800 0.076 0.000 2.480 308 G HA2 -0.292 3.674 3.960 0.009 0.000 0.216 308 G HA3 -0.292 3.674 3.960 0.009 0.000 0.216 308 G C 1.565 176.521 174.900 0.094 0.000 1.200 308 G CA 1.211 46.359 45.100 0.080 0.000 0.782 308 G HN 0.525 nan 8.290 nan 0.000 0.554 309 I N -0.331 120.273 120.570 0.058 0.000 2.194 309 I HA -0.094 4.081 4.170 0.009 0.000 0.246 309 I C 2.856 179.009 176.117 0.059 0.000 1.093 309 I CA 1.909 63.242 61.300 0.054 0.000 1.355 309 I CB -0.607 37.427 38.000 0.057 0.000 1.046 309 I HN 0.182 nan 8.210 nan 0.000 0.413 310 A N 0.901 123.744 122.820 0.038 0.000 1.883 310 A HA -0.310 4.016 4.320 0.009 0.000 0.217 310 A C 2.323 180.034 177.584 0.212 0.000 1.186 310 A CA 2.302 54.338 52.037 -0.003 0.000 0.624 310 A CB -1.341 17.497 19.000 -0.270 0.000 0.822 310 A HN 0.764 nan 8.150 nan 0.000 0.444 311 H N -0.894 118.285 119.070 0.183 0.000 2.353 311 H HA -0.061 4.501 4.556 0.009 0.000 0.300 311 H C 1.676 177.078 175.328 0.124 0.000 1.090 311 H CA 1.854 58.012 56.048 0.183 0.000 1.327 311 H CB -0.231 29.608 29.762 0.129 0.000 1.383 311 H HN 0.289 nan 8.280 nan 0.000 0.508 312 L N 0.221 121.437 121.223 -0.012 0.000 2.109 312 L HA 0.031 4.376 4.340 0.009 0.000 0.207 312 L C 3.081 179.928 176.870 -0.039 0.000 1.086 312 L CA 1.597 56.389 54.840 -0.080 0.000 0.760 312 L CB -1.183 40.886 42.059 0.015 0.000 0.910 312 L HN 0.503 nan 8.230 nan 0.000 0.437 313 I N -2.172 118.408 120.570 0.017 0.000 2.264 313 I HA -0.213 3.963 4.170 0.009 0.000 0.248 313 I C 2.493 178.624 176.117 0.023 0.000 1.111 313 I CA 2.198 63.515 61.300 0.029 0.000 1.382 313 I CB -1.427 36.597 38.000 0.041 0.000 1.060 313 I HN 0.137 nan 8.210 nan 0.000 0.418 314 V N -0.263 119.674 119.914 0.038 0.000 2.358 314 V HA -0.343 3.783 4.120 0.009 0.000 0.246 314 V C 2.651 178.730 176.094 -0.024 0.000 1.047 314 V CA 2.379 64.706 62.300 0.044 0.000 1.035 314 V CB -0.686 31.207 31.823 0.117 0.000 0.658 314 V HN 0.725 nan 8.190 nan 0.000 0.452 315 M N -0.134 119.401 119.600 -0.107 0.000 2.159 315 M HA -0.128 4.358 4.480 0.009 0.000 0.263 315 M C 2.374 178.649 176.300 -0.042 0.000 1.063 315 M CA 1.987 57.225 55.300 -0.103 0.000 1.110 315 M CB -0.556 31.942 32.600 -0.170 0.000 1.374 315 M HN 0.395 nan 8.290 nan 0.000 0.411 316 A N 0.500 123.304 122.820 -0.027 0.000 1.933 316 A HA -0.130 4.196 4.320 0.009 0.000 0.218 316 A C 2.096 179.681 177.584 0.001 0.000 1.175 316 A CA 1.413 53.447 52.037 -0.004 0.000 0.628 316 A CB -0.874 18.130 19.000 0.008 0.000 0.814 316 A HN 0.443 nan 8.150 nan 0.000 0.444 317 L N -0.809 120.417 121.223 0.005 0.000 2.056 317 L HA -0.200 4.145 4.340 0.009 0.000 0.207 317 L C 2.599 179.472 176.870 0.004 0.000 1.078 317 L CA 1.643 56.488 54.840 0.009 0.000 0.749 317 L CB -0.543 41.526 42.059 0.018 0.000 0.901 317 L HN 0.457 nan 8.230 nan 0.000 0.433 318 E N -0.418 119.782 120.200 -0.000 0.000 2.058 318 E HA -0.273 4.083 4.350 0.009 0.000 0.194 318 E C 2.358 178.957 176.600 -0.001 0.000 0.997 318 E CA 1.607 58.006 56.400 -0.002 0.000 0.801 318 E CB -0.086 29.611 29.700 -0.005 0.000 0.746 318 E HN 0.148 nan 8.360 nan 0.000 0.450 319 K N 1.340 121.739 120.400 -0.002 0.000 2.063 319 K HA -0.209 4.117 4.320 0.009 0.000 0.208 319 K C 1.929 178.530 176.600 0.001 0.000 1.048 319 K CA 1.888 58.175 56.287 -0.001 0.000 0.928 319 K CB -0.388 32.111 32.500 -0.001 0.000 0.713 319 K HN 0.510 nan 8.250 nan 0.000 0.442 320 E N -1.864 118.338 120.200 0.003 0.000 2.427 320 E HA 0.055 4.411 4.350 0.009 0.000 0.196 320 E C 1.268 177.869 176.600 0.003 0.000 1.028 320 E CA 1.097 57.499 56.400 0.004 0.000 0.864 320 E CB 0.147 29.851 29.700 0.005 0.000 0.813 320 E HN 0.532 nan 8.360 nan 0.000 0.514 321 G N -0.388 108.413 108.800 0.002 0.000 2.485 321 G HA2 -0.097 3.868 3.960 0.009 0.000 0.181 321 G HA3 -0.097 3.868 3.960 0.009 0.000 0.181 321 G C 0.318 175.218 174.900 0.000 0.000 0.999 321 G CA -0.222 44.879 45.100 0.001 0.000 0.721 321 G HN 0.498 nan 8.290 nan 0.000 0.486 322 L N 1.520 122.743 121.223 0.001 0.000 2.436 322 L HA 0.896 5.241 4.340 0.009 0.000 0.265 322 L C -0.979 175.889 176.870 -0.002 0.000 1.168 322 L CA -1.009 53.831 54.840 -0.001 0.000 0.815 322 L CB -0.427 41.633 42.059 0.001 0.000 1.109 322 L HN 0.141 nan 8.230 nan 0.000 0.462 323 P HA 0.443 nan 4.420 nan 0.000 0.278 323 P C 0.737 178.032 177.300 -0.009 0.000 1.266 323 P CA 0.347 63.443 63.100 -0.008 0.000 0.807 323 P CB 0.797 32.490 31.700 -0.011 0.000 1.094 324 K N 0.434 120.828 120.400 -0.010 0.000 2.032 324 K HA -0.196 4.130 4.320 0.009 0.000 0.209 324 K C 2.322 178.906 176.600 -0.027 0.000 1.048 324 K CA 2.791 59.071 56.287 -0.012 0.000 0.927 324 K CB -2.059 30.432 32.500 -0.015 0.000 0.712 324 K HN 0.662 nan 8.250 nan 0.000 0.441 325 E N 0.444 120.623 120.200 -0.035 0.000 2.049 325 E HA -0.219 4.137 4.350 0.009 0.000 0.198 325 E C 2.493 179.057 176.600 -0.059 0.000 1.007 325 E CA 2.969 59.339 56.400 -0.050 0.000 0.809 325 E CB -1.383 28.290 29.700 -0.045 0.000 0.749 325 E HN 0.820 nan 8.360 nan 0.000 0.450 326 K N 0.140 120.513 120.400 -0.044 0.000 2.148 326 K HA 0.433 4.759 4.320 0.009 0.000 0.204 326 K C 2.657 179.235 176.600 -0.037 0.000 1.050 326 K CA 1.688 57.948 56.287 -0.046 0.000 0.942 326 K CB -0.881 31.602 32.500 -0.028 0.000 0.724 326 K HN 0.807 nan 8.250 nan 0.000 0.446 327 A N 1.107 123.919 122.820 -0.014 0.000 1.873 327 A HA 0.205 4.531 4.320 0.009 0.000 0.215 327 A C 2.752 180.364 177.584 0.046 0.000 1.186 327 A CA 2.374 54.419 52.037 0.014 0.000 0.616 327 A CB -0.922 18.092 19.000 0.023 0.000 0.823 327 A HN 1.074 nan 8.150 nan 0.000 0.442 328 I N -0.163 120.437 120.570 0.051 0.000 2.335 328 I HA -0.030 4.146 4.170 0.009 0.000 0.251 328 I C 2.747 178.956 176.117 0.153 0.000 1.129 328 I CA 2.845 64.239 61.300 0.157 0.000 1.402 328 I CB -2.267 35.717 38.000 -0.027 0.000 1.069 328 I HN 0.610 nan 8.210 nan 0.000 0.424 329 K N 0.737 121.076 120.400 -0.102 0.000 2.281 329 K HA -0.167 4.159 4.320 0.009 0.000 0.203 329 K C 2.013 178.429 176.600 -0.306 0.000 1.046 329 K CA 1.565 57.601 56.287 -0.419 0.000 0.938 329 K CB -0.940 31.347 32.500 -0.354 0.000 0.737 329 K HN 0.809 nan 8.250 nan 0.000 0.458 330 K N -0.596 119.744 120.400 -0.100 0.000 2.525 330 K HA 0.191 4.517 4.320 0.009 0.000 0.192 330 K C -0.067 176.505 176.600 -0.047 0.000 1.029 330 K CA 0.268 56.543 56.287 -0.019 0.000 1.029 330 K CB -0.093 32.425 32.500 0.030 0.000 0.814 330 K HN 0.451 nan 8.250 nan 0.000 0.503 331 I N 0.229 120.681 120.570 -0.196 0.000 2.509 331 I HA 0.283 4.459 4.170 0.009 0.000 0.293 331 I C -1.194 174.651 176.117 -0.454 0.000 1.020 331 I CA -1.056 60.113 61.300 -0.218 0.000 1.088 331 I CB 1.354 39.197 38.000 -0.261 0.000 1.267 331 I HN -0.115 nan 8.210 nan 0.000 0.430 332 W N 6.135 127.394 121.300 -0.069 0.000 2.844 332 W HA 0.754 5.419 4.660 0.009 0.000 0.340 332 W C -1.032 175.412 176.519 -0.125 0.000 1.093 332 W CA -0.504 56.795 57.345 -0.077 0.000 1.212 332 W CB 1.004 30.460 29.460 -0.007 0.000 1.422 332 W HN 0.086 nan 8.180 nan 0.000 0.515 333 L N 2.221 123.497 121.223 0.088 0.000 2.319 333 L HA 0.894 5.240 4.340 0.009 0.000 0.267 333 L C -0.609 176.306 176.870 0.075 0.000 1.011 333 L CA -1.604 53.254 54.840 0.031 0.000 0.818 333 L CB 1.684 43.725 42.059 -0.031 0.000 1.316 333 L HN 0.090 nan 8.230 nan 0.000 0.432 334 V N -0.059 119.892 119.914 0.063 0.000 2.623 334 V HA 0.321 4.447 4.120 0.009 0.000 0.304 334 V C -0.977 175.149 176.094 0.053 0.000 1.054 334 V CA -0.772 61.566 62.300 0.063 0.000 0.882 334 V CB 1.744 33.609 31.823 0.071 0.000 1.002 334 V HN 0.910 nan 8.190 nan 0.000 0.424 335 D N 2.241 122.668 120.400 0.045 0.000 2.569 335 D HA 0.424 5.070 4.640 0.009 0.000 0.266 335 D C 1.450 177.770 176.300 0.034 0.000 1.164 335 D CA 0.054 54.076 54.000 0.037 0.000 1.071 335 D CB 1.154 41.974 40.800 0.033 0.000 1.183 335 D HN 0.440 nan 8.370 nan 0.000 0.613 336 S N -0.334 115.382 115.700 0.027 0.000 2.370 336 S HA -0.255 4.221 4.470 0.009 0.000 0.226 336 S C 1.415 176.028 174.600 0.023 0.000 1.033 336 S CA 0.845 59.059 58.200 0.023 0.000 1.011 336 S CB -0.614 62.596 63.200 0.017 0.000 0.852 336 S HN 0.469 nan 8.310 nan 0.000 0.457 337 K N 1.616 122.030 120.400 0.022 0.000 2.486 337 K HA 0.291 4.617 4.320 0.009 0.000 0.194 337 K C 1.101 177.716 176.600 0.025 0.000 1.033 337 K CA 0.439 56.739 56.287 0.021 0.000 1.004 337 K CB -0.187 32.325 32.500 0.020 0.000 0.798 337 K HN 0.640 nan 8.250 nan 0.000 0.495 338 G N -0.288 108.530 108.800 0.030 0.000 2.316 338 G HA2 0.037 4.003 3.960 0.009 0.000 0.349 338 G HA3 0.037 4.003 3.960 0.009 0.000 0.349 338 G C -0.719 174.206 174.900 0.041 0.000 1.274 338 G CA -0.650 44.469 45.100 0.033 0.000 1.018 338 G HN 0.205 nan 8.290 nan 0.000 0.486 339 L N -0.928 120.321 121.223 0.043 0.000 2.483 339 L HA 0.760 5.106 4.340 0.009 0.000 0.276 339 L C 1.849 178.760 176.870 0.069 0.000 1.213 339 L CA 0.609 55.484 54.840 0.059 0.000 0.843 339 L CB -0.753 41.337 42.059 0.052 0.000 1.107 339 L HN 2.360 nan 8.230 nan 0.000 0.487 340 I N 1.736 122.358 120.570 0.087 0.000 2.325 340 I HA 0.845 5.021 4.170 0.009 0.000 0.291 340 I C 0.205 176.382 176.117 0.099 0.000 1.019 340 I CA -0.113 61.233 61.300 0.076 0.000 1.302 340 I CB -0.101 37.936 38.000 0.061 0.000 1.401 340 I HN 2.179 nan 8.210 nan 0.000 0.485 341 V N 3.704 123.669 119.914 0.086 0.000 3.206 341 V HA 0.625 4.750 4.120 0.009 0.000 0.305 341 V C 1.060 177.201 176.094 0.078 0.000 1.257 341 V CA -0.121 62.245 62.300 0.109 0.000 1.057 341 V CB 1.448 33.351 31.823 0.133 0.000 1.075 341 V HN 0.724 nan 8.190 nan 0.000 0.443 342 K N 1.378 121.832 120.400 0.089 0.000 2.117 342 K HA -0.153 4.173 4.320 0.009 0.000 0.215 342 K C 1.287 177.913 176.600 0.044 0.000 1.053 342 K CA 1.866 58.191 56.287 0.065 0.000 0.935 342 K CB -0.956 31.585 32.500 0.069 0.000 0.719 342 K HN 1.928 nan 8.250 nan 0.000 0.460 350 E N 1.338 121.533 120.200 -0.008 0.000 2.152 350 E HA -0.043 4.312 4.350 0.009 0.000 0.192 350 E C 2.002 178.630 176.600 0.046 0.000 0.983 350 E CA 1.116 57.516 56.400 0.000 0.000 0.818 350 E CB -0.094 29.610 29.700 0.007 0.000 0.758 350 E HN 0.609 nan 8.360 nan 0.000 0.467 351 K N 0.167 120.601 120.400 0.056 0.000 2.097 351 K HA -0.139 4.187 4.320 0.009 0.000 0.206 351 K C 2.693 179.328 176.600 0.059 0.000 1.049 351 K CA 1.451 57.790 56.287 0.087 0.000 0.933 351 K CB -0.251 32.283 32.500 0.058 0.000 0.717 351 K HN 0.437 nan 8.250 nan 0.000 0.442 352 E N 1.552 121.759 120.200 0.012 0.000 2.267 352 E HA -0.238 4.118 4.350 0.009 0.000 0.197 352 E C 1.984 178.547 176.600 -0.060 0.000 0.998 352 E CA 1.996 58.387 56.400 -0.015 0.000 0.830 352 E CB -1.016 28.673 29.700 -0.019 0.000 0.751 352 E HN 0.527 nan 8.360 nan 0.000 0.491 353 K N -0.531 119.799 120.400 -0.117 0.000 2.283 353 K HA 0.186 4.511 4.320 0.009 0.000 0.202 353 K C 1.616 177.948 176.600 -0.447 0.000 1.048 353 K CA 1.215 57.328 56.287 -0.290 0.000 0.948 353 K CB -0.565 31.692 32.500 -0.405 0.000 0.742 353 K HN 0.586 nan 8.250 nan 0.000 0.458 354 F N -0.000 119.866 119.950 -0.139 0.000 2.639 354 F HA 0.396 4.928 4.527 0.009 0.000 0.302 354 F C 1.208 176.662 175.800 -0.577 0.000 1.097 354 F CA -0.545 57.247 58.000 -0.346 0.000 1.294 354 F CB 0.783 39.619 39.000 -0.273 0.000 1.027 354 F HN 0.105 nan 8.300 nan 0.000 0.550 355 A N 0.881 123.610 122.820 -0.151 0.000 2.906 355 A HA 0.201 4.527 4.320 0.009 0.000 0.289 355 A C -0.214 177.368 177.584 -0.003 0.000 1.675 355 A CA -0.221 51.769 52.037 -0.077 0.000 1.372 355 A CB -1.018 17.982 19.000 -0.000 0.000 1.091 355 A HN 0.191 nan 8.150 nan 0.000 0.579 356 H N 0.723 119.832 119.070 0.065 0.000 2.546 356 H HA 0.460 5.021 4.556 0.009 0.000 0.365 356 H C 0.968 176.380 175.328 0.140 0.000 1.220 356 H CA 0.250 56.335 56.048 0.061 0.000 1.386 356 H CB 0.442 30.190 29.762 -0.023 0.000 1.510 356 H HN 0.686 nan 8.280 nan 0.000 0.591 357 E N -0.191 120.162 120.200 0.256 0.000 2.220 357 E HA 0.489 4.844 4.350 0.009 0.000 0.272 357 E C -0.059 176.666 176.600 0.208 0.000 1.099 357 E CA 0.376 56.882 56.400 0.177 0.000 0.907 357 E CB -1.020 28.749 29.700 0.115 0.000 1.022 357 E HN 0.943 nan 8.360 nan 0.000 0.428 358 H N -0.993 118.179 119.070 0.170 0.000 3.060 358 H HA 0.782 5.344 4.556 0.009 0.000 0.330 358 H C 0.123 175.497 175.328 0.078 0.000 1.305 358 H CA -0.042 56.082 56.048 0.128 0.000 1.209 358 H CB -0.067 29.793 29.762 0.163 0.000 1.913 358 H HN 1.204 nan 8.280 nan 0.000 0.534 359 E N 0.527 120.751 120.200 0.041 0.000 2.452 359 E HA 0.511 4.866 4.350 0.009 0.000 0.261 359 E C 0.599 177.214 176.600 0.026 0.000 0.987 359 E CA 0.318 56.734 56.400 0.026 0.000 0.926 359 E CB -0.843 28.862 29.700 0.008 0.000 0.934 359 E HN 1.800 nan 8.360 nan 0.000 0.452 360 E N 1.571 121.787 120.200 0.028 0.000 2.392 360 E HA 0.547 4.902 4.350 0.009 0.000 0.264 360 E C 0.436 177.046 176.600 0.015 0.000 1.024 360 E CA 0.671 57.088 56.400 0.028 0.000 0.903 360 E CB -0.022 29.694 29.700 0.028 0.000 0.963 360 E HN 0.772 nan 8.360 nan 0.000 0.432 361 M N -0.780 118.829 119.600 0.014 0.000 2.569 361 M HA 0.761 5.247 4.480 0.009 0.000 0.279 361 M C 0.496 176.804 176.300 0.013 0.000 1.253 361 M CA -0.575 54.728 55.300 0.007 0.000 0.867 361 M CB 1.969 34.564 32.600 -0.009 0.000 1.727 361 M HN 0.480 nan 8.290 nan 0.000 0.467 362 K N 0.394 120.801 120.400 0.013 0.000 2.362 362 K HA 0.235 4.561 4.320 0.009 0.000 0.203 362 K C 0.577 177.189 176.600 0.020 0.000 1.198 362 K CA 0.671 56.969 56.287 0.018 0.000 0.908 362 K CB -0.232 32.278 32.500 0.017 0.000 1.236 362 K HN 0.778 nan 8.250 nan 0.000 0.487 363 N N 1.408 120.117 118.700 0.016 0.000 2.440 363 N HA 0.199 4.945 4.740 0.009 0.000 0.265 363 N C 1.203 176.726 175.510 0.022 0.000 1.239 363 N CA 0.636 53.697 53.050 0.019 0.000 0.909 363 N CB 0.633 39.129 38.487 0.014 0.000 1.066 363 N HN 0.321 nan 8.380 nan 0.000 0.474 364 L N 3.369 124.613 121.223 0.036 0.000 2.046 364 L HA -0.130 4.215 4.340 0.009 0.000 0.208 364 L C 2.538 179.427 176.870 0.032 0.000 1.077 364 L CA 2.774 57.642 54.840 0.046 0.000 0.747 364 L CB -2.306 39.803 42.059 0.084 0.000 0.896 364 L HN 0.821 nan 8.230 nan 0.000 0.432 365 E N -0.216 120.003 120.200 0.032 0.000 2.085 365 E HA -0.054 4.302 4.350 0.009 0.000 0.194 365 E C 2.502 179.114 176.600 0.021 0.000 0.994 365 E CA 2.429 58.844 56.400 0.025 0.000 0.801 365 E CB -1.023 28.690 29.700 0.022 0.000 0.743 365 E HN 1.238 nan 8.360 nan 0.000 0.453 366 A N 0.112 122.939 122.820 0.011 0.000 1.929 366 A HA 0.147 4.472 4.320 0.009 0.000 0.216 366 A C 2.479 180.050 177.584 -0.023 0.000 1.176 366 A CA 1.233 53.270 52.037 0.000 0.000 0.628 366 A CB -0.269 18.729 19.000 -0.004 0.000 0.816 366 A HN 0.488 nan 8.150 nan 0.000 0.444 367 I N 0.378 120.932 120.570 -0.027 0.000 2.163 367 I HA -0.247 3.929 4.170 0.009 0.000 0.243 367 I C 2.536 178.596 176.117 -0.094 0.000 1.085 367 I CA 1.674 62.936 61.300 -0.063 0.000 1.347 367 I CB -0.294 37.683 38.000 -0.038 0.000 1.044 367 I HN 0.338 nan 8.210 nan 0.000 0.408 368 V N -0.851 119.036 119.914 -0.045 0.000 2.626 368 V HA -0.248 3.878 4.120 0.009 0.000 0.252 368 V C 2.528 178.617 176.094 -0.009 0.000 1.067 368 V CA 1.979 64.260 62.300 -0.031 0.000 1.081 368 V CB -1.597 30.242 31.823 0.027 0.000 0.686 368 V HN 0.527 nan 8.190 nan 0.000 0.468 369 Q N 0.682 120.500 119.800 0.031 0.000 2.016 369 Q HA -0.185 4.161 4.340 0.009 0.000 0.200 369 Q C 2.151 178.049 176.000 -0.169 0.000 0.978 369 Q CA 2.230 58.070 55.803 0.062 0.000 0.833 369 Q CB -1.303 27.490 28.738 0.093 0.000 0.895 369 Q HN 0.790 nan 8.270 nan 0.000 0.427 370 E N -0.437 119.663 120.200 -0.167 0.000 2.047 370 E HA -0.055 4.301 4.350 0.009 0.000 0.191 370 E C 2.305 178.702 176.600 -0.339 0.000 0.987 370 E CA 1.613 57.882 56.400 -0.219 0.000 0.799 370 E CB -0.990 28.601 29.700 -0.182 0.000 0.752 370 E HN 0.965 nan 8.360 nan 0.000 0.449 371 I N -0.206 120.127 120.570 -0.395 0.000 2.406 371 I HA 0.391 4.567 4.170 0.009 0.000 0.249 371 I C 1.849 177.680 176.117 -0.476 0.000 1.122 371 I CA 1.553 62.538 61.300 -0.524 0.000 1.431 371 I CB -2.076 35.565 38.000 -0.598 0.000 1.087 371 I HN 0.502 nan 8.210 nan 0.000 0.424 372 K N 0.623 120.691 120.400 -0.554 0.000 3.974 372 K HA -0.070 4.256 4.320 0.009 0.000 0.280 372 K C -1.832 174.552 176.600 -0.360 0.000 0.949 372 K CA 0.851 56.645 56.287 -0.821 0.000 0.817 372 K CB -3.128 28.691 32.500 -1.136 0.000 1.535 372 K HN 0.914 nan 8.250 nan 0.000 0.444 373 P HA 0.410 nan 4.420 nan 0.000 0.278 373 P C 1.142 178.430 177.300 -0.020 0.000 1.258 373 P CA 0.439 63.494 63.100 -0.075 0.000 0.811 373 P CB 1.478 33.145 31.700 -0.056 0.000 1.063 374 T N -2.668 111.879 114.554 -0.012 0.000 3.044 374 T HA 0.380 4.736 4.350 0.009 0.000 0.255 374 T C 0.650 175.317 174.700 -0.055 0.000 1.073 374 T CA 0.350 62.443 62.100 -0.012 0.000 1.125 374 T CB -0.240 68.625 68.868 -0.004 0.000 0.908 374 T HN 0.569 nan 8.240 nan 0.000 0.480 375 A N 0.735 123.511 122.820 -0.073 0.000 2.393 375 A HA 0.772 5.097 4.320 0.009 0.000 0.306 375 A C -1.618 175.885 177.584 -0.135 0.000 1.050 375 A CA -0.822 51.123 52.037 -0.152 0.000 0.724 375 A CB 1.681 20.575 19.000 -0.176 0.000 1.248 375 A HN 0.358 nan 8.150 nan 0.000 0.424 376 L N 2.896 124.002 121.223 -0.196 0.000 2.376 376 L HA 0.689 5.035 4.340 0.009 0.000 0.275 376 L C -1.226 175.638 176.870 -0.010 0.000 0.987 376 L CA -0.214 54.524 54.840 -0.170 0.000 0.828 376 L CB 1.153 42.969 42.059 -0.405 0.000 1.249 376 L HN 0.605 nan 8.230 nan 0.000 0.409 377 I N 4.615 125.287 120.570 0.171 0.000 2.411 377 I HA 0.419 4.595 4.170 0.009 0.000 0.284 377 I C 0.446 176.804 176.117 0.401 0.000 1.012 377 I CA -0.607 60.891 61.300 0.329 0.000 1.119 377 I CB 1.842 39.997 38.000 0.259 0.000 1.261 377 I HN 0.749 nan 8.210 nan 0.000 0.448 378 G N 5.155 114.214 108.800 0.432 0.000 2.350 378 G HA2 0.451 4.416 3.960 0.009 0.000 0.306 378 G HA3 0.451 4.416 3.960 0.009 0.000 0.306 378 G C 0.539 175.470 174.900 0.052 0.000 1.094 378 G CA -0.277 44.888 45.100 0.108 0.000 0.953 378 G HN 0.571 nan 8.290 nan 0.000 0.420 379 V N -0.139 119.809 119.914 0.055 0.000 3.398 379 V HA 0.592 4.717 4.120 0.009 0.000 0.298 379 V C 1.104 177.208 176.094 0.017 0.000 1.496 379 V CA 0.127 62.448 62.300 0.036 0.000 1.044 379 V CB -0.370 31.484 31.823 0.053 0.000 0.880 379 V HN 0.805 nan 8.190 nan 0.000 0.443 380 A N 1.062 123.888 122.820 0.010 0.000 2.409 380 A HA 0.762 5.088 4.320 0.009 0.000 0.262 380 A C 1.015 178.586 177.584 -0.022 0.000 1.113 380 A CA 0.354 52.392 52.037 0.002 0.000 0.790 380 A CB 0.712 19.719 19.000 0.012 0.000 1.046 380 A HN 1.226 nan 8.150 nan 0.000 0.496 381 A N 2.197 125.008 122.820 -0.015 0.000 2.604 381 A HA 0.433 4.758 4.320 0.009 0.000 0.248 381 A C 0.625 178.194 177.584 -0.026 0.000 1.466 381 A CA 0.667 52.691 52.037 -0.022 0.000 1.222 381 A CB -1.539 17.452 19.000 -0.014 0.000 0.945 381 A HN 1.853 nan 8.150 nan 0.000 0.600 382 I N 0.260 120.808 120.570 -0.037 0.000 2.337 382 I HA 0.671 4.847 4.170 0.009 0.000 0.285 382 I C 0.735 176.821 176.117 -0.051 0.000 1.041 382 I CA -0.192 61.089 61.300 -0.032 0.000 1.199 382 I CB 0.284 38.273 38.000 -0.019 0.000 1.370 382 I HN 0.465 nan 8.210 nan 0.000 0.470 383 G N 2.973 111.753 108.800 -0.033 0.000 2.406 383 G HA2 0.565 4.531 3.960 0.009 0.000 0.251 383 G HA3 0.565 4.531 3.960 0.009 0.000 0.251 383 G C 1.146 176.033 174.900 -0.021 0.000 1.271 383 G CA 0.539 45.623 45.100 -0.028 0.000 0.859 383 G HN 2.527 nan 8.290 nan 0.000 0.540 384 G N 0.764 109.549 108.800 -0.025 0.000 2.176 384 G HA2 -0.048 3.917 3.960 0.009 0.000 0.253 384 G HA3 -0.048 3.917 3.960 0.009 0.000 0.253 384 G C 1.524 176.435 174.900 0.018 0.000 0.979 384 G CA 1.133 46.233 45.100 0.001 0.000 0.641 384 G HN 1.755 nan 8.290 nan 0.000 0.530 385 A N -0.161 122.646 122.820 -0.022 0.000 1.986 385 A HA 0.218 4.544 4.320 0.009 0.000 0.220 385 A C 1.042 178.787 177.584 0.267 0.000 1.171 385 A CA 1.604 53.673 52.037 0.054 0.000 0.640 385 A CB -0.391 18.596 19.000 -0.021 0.000 0.811 385 A HN 0.729 nan 8.150 nan 0.000 0.451 386 F N 1.652 121.622 119.950 0.032 0.000 2.567 386 F HA 0.299 4.832 4.527 0.009 0.000 0.352 386 F C 1.201 177.001 175.800 0.000 0.000 1.229 386 F CA -1.054 56.959 58.000 0.022 0.000 1.228 386 F CB -0.915 38.108 39.000 0.039 0.000 1.568 386 F HN 0.195 nan 8.300 nan 0.000 0.634 387 S N -0.044 115.757 115.700 0.169 0.000 2.634 387 S HA 0.397 4.873 4.470 0.009 0.000 0.261 387 S C 1.480 176.103 174.600 0.038 0.000 1.271 387 S CA -0.006 58.241 58.200 0.078 0.000 0.985 387 S CB 0.828 64.061 63.200 0.055 0.000 0.968 387 S HN 0.570 nan 8.310 nan 0.000 0.568 388 E N 0.297 120.503 120.200 0.010 0.000 2.086 388 E HA -0.273 4.083 4.350 0.009 0.000 0.200 388 E C 2.034 178.618 176.600 -0.027 0.000 1.012 388 E CA 2.165 58.555 56.400 -0.016 0.000 0.812 388 E CB -1.440 28.248 29.700 -0.019 0.000 0.743 388 E HN 0.840 nan 8.360 nan 0.000 0.453 389 Q N 0.037 119.826 119.800 -0.018 0.000 2.084 389 Q HA -0.031 4.314 4.340 0.009 0.000 0.202 389 Q C 2.070 178.044 176.000 -0.043 0.000 0.978 389 Q CA 1.996 57.781 55.803 -0.030 0.000 0.844 389 Q CB -0.376 28.354 28.738 -0.014 0.000 0.898 389 Q HN 0.683 nan 8.270 nan 0.000 0.426 390 I N -0.297 120.258 120.570 -0.024 0.000 2.252 390 I HA -0.239 3.936 4.170 0.009 0.000 0.245 390 I C 2.047 178.107 176.117 -0.094 0.000 1.102 390 I CA 0.798 62.069 61.300 -0.048 0.000 1.385 390 I CB -0.198 37.784 38.000 -0.030 0.000 1.064 390 I HN 0.215 nan 8.210 nan 0.000 0.414 391 L N 0.135 121.313 121.223 -0.075 0.000 2.046 391 L HA -0.233 4.113 4.340 0.009 0.000 0.208 391 L C 2.822 179.626 176.870 -0.111 0.000 1.077 391 L CA 1.236 56.023 54.840 -0.089 0.000 0.747 391 L CB -0.767 41.257 42.059 -0.059 0.000 0.896 391 L HN 0.010 nan 8.230 nan 0.000 0.432 392 K N -0.372 119.964 120.400 -0.107 0.000 2.032 392 K HA -0.202 4.123 4.320 0.009 0.000 0.209 392 K C 1.862 178.328 176.600 -0.224 0.000 1.048 392 K CA 1.627 57.834 56.287 -0.134 0.000 0.927 392 K CB -0.866 31.570 32.500 -0.107 0.000 0.712 392 K HN 0.498 nan 8.250 nan 0.000 0.441 393 D N -0.541 119.706 120.400 -0.255 0.000 2.117 393 D HA -0.019 4.627 4.640 0.009 0.000 0.198 393 D C 2.125 178.040 176.300 -0.641 0.000 0.982 393 D CA 1.259 54.957 54.000 -0.502 0.000 0.828 393 D CB -0.123 40.517 40.800 -0.266 0.000 0.967 393 D HN 0.191 nan 8.370 nan 0.000 0.464 394 M N 0.367 119.818 119.600 -0.248 0.000 2.108 394 M HA -0.071 4.414 4.480 0.009 0.000 0.261 394 M C 2.636 178.853 176.300 -0.139 0.000 1.066 394 M CA 1.346 56.581 55.300 -0.107 0.000 1.107 394 M CB -1.297 31.242 32.600 -0.100 0.000 1.356 394 M HN 0.243 nan 8.290 nan 0.000 0.406 395 A N -0.500 122.221 122.820 -0.167 0.000 2.067 395 A HA 0.107 4.432 4.320 0.009 0.000 0.219 395 A C 2.325 179.810 177.584 -0.165 0.000 1.158 395 A CA 1.682 53.643 52.037 -0.127 0.000 0.661 395 A CB -0.610 18.328 19.000 -0.102 0.000 0.801 395 A HN 0.493 nan 8.150 nan 0.000 0.452 396 A N -0.926 121.705 122.820 -0.316 0.000 1.903 396 A HA 0.227 4.553 4.320 0.009 0.000 0.213 396 A C 1.738 179.179 177.584 -0.237 0.000 1.185 396 A CA 1.098 52.934 52.037 -0.336 0.000 0.628 396 A CB -0.556 18.149 19.000 -0.492 0.000 0.830 396 A HN 0.418 nan 8.150 nan 0.000 0.446 397 F N 0.980 120.904 119.950 -0.043 0.000 2.325 397 F HA 0.080 4.613 4.527 0.009 0.000 0.299 397 F C 0.468 176.247 175.800 -0.036 0.000 1.090 397 F CA 0.103 58.078 58.000 -0.042 0.000 1.392 397 F CB -0.406 38.562 39.000 -0.053 0.000 1.053 397 F HN 0.114 nan 8.300 nan 0.000 0.521 398 N N 0.005 118.767 118.700 0.104 0.000 2.269 398 N HA 0.089 4.835 4.740 0.009 0.000 0.304 398 N C 0.846 176.366 175.510 0.016 0.000 1.072 398 N CA -0.315 52.770 53.050 0.057 0.000 0.802 398 N CB 1.911 40.425 38.487 0.045 0.000 1.348 398 N HN 0.065 nan 8.380 nan 0.000 0.484 399 E N 1.340 121.549 120.200 0.015 0.000 2.106 399 E HA -0.057 4.299 4.350 0.009 0.000 0.192 399 E C -0.289 176.315 176.600 0.006 0.000 0.984 399 E CA 1.139 57.542 56.400 0.006 0.000 0.806 399 E CB 0.405 30.110 29.700 0.008 0.000 0.750 399 E HN 0.341 nan 8.360 nan 0.000 0.458 400 R N 1.321 121.827 120.500 0.011 0.000 2.607 400 R HA 0.278 4.624 4.340 0.009 0.000 0.278 400 R C -2.600 173.705 176.300 0.008 0.000 1.637 400 R CA -1.789 54.320 56.100 0.016 0.000 1.325 400 R CB 1.675 31.988 30.300 0.022 0.000 1.211 400 R HN 0.138 nan 8.270 nan 0.000 0.565 401 P HA 0.125 nan 4.420 nan 0.000 0.276 401 P C -0.103 177.173 177.300 -0.040 0.000 1.235 401 P CA -0.019 63.067 63.100 -0.023 0.000 0.772 401 P CB 1.022 32.703 31.700 -0.032 0.000 0.871 402 I N 4.539 125.044 120.570 -0.109 0.000 2.371 402 I HA 0.282 4.457 4.170 0.009 0.000 0.290 402 I C 0.588 176.526 176.117 -0.299 0.000 1.028 402 I CA -0.161 60.999 61.300 -0.234 0.000 1.345 402 I CB 0.260 38.046 38.000 -0.356 0.000 1.407 402 I HN 0.143 nan 8.210 nan 0.000 0.501 403 I N 6.930 127.362 120.570 -0.231 0.000 2.497 403 I HA 0.299 4.475 4.170 0.009 0.000 0.284 403 I C -1.196 174.970 176.117 0.083 0.000 1.060 403 I CA -0.437 60.832 61.300 -0.052 0.000 1.071 403 I CB 1.372 39.455 38.000 0.139 0.000 1.216 403 I HN 0.284 nan 8.210 nan 0.000 0.442 404 F N 4.646 124.680 119.950 0.141 0.000 2.402 404 F HA 0.557 5.089 4.527 0.010 0.000 0.355 404 F C 0.582 176.471 175.800 0.148 0.000 1.123 404 F CA -1.513 56.500 58.000 0.021 0.000 1.021 404 F CB 1.825 40.849 39.000 0.040 0.000 1.160 404 F HN 0.416 nan 8.300 nan 0.000 0.451 405 A N 3.137 126.064 122.820 0.178 0.000 2.582 405 A HA 0.641 4.966 4.320 0.009 0.000 0.336 405 A C 0.630 178.247 177.584 0.055 0.000 1.445 405 A CA -0.174 51.914 52.037 0.085 0.000 0.997 405 A CB -0.279 18.814 19.000 0.156 0.000 1.148 405 A HN 0.948 nan 8.150 nan 0.000 0.514 406 L N 1.253 122.504 121.223 0.046 0.000 2.607 406 L HA 0.382 4.728 4.340 0.009 0.000 0.228 406 L C 1.052 177.931 176.870 0.015 0.000 1.123 406 L CA 0.761 55.614 54.840 0.022 0.000 0.890 406 L CB -1.392 40.680 42.059 0.022 0.000 1.103 406 L HN 0.603 nan 8.230 nan 0.000 0.468 407 S N 1.280 116.983 115.700 0.004 0.000 2.565 407 S HA 0.532 5.008 4.470 0.009 0.000 0.276 407 S C -0.127 174.474 174.600 0.002 0.000 1.326 407 S CA -0.429 57.768 58.200 -0.005 0.000 1.045 407 S CB 0.547 63.728 63.200 -0.031 0.000 0.918 407 S HN 0.725 nan 8.310 nan 0.000 0.505 408 N N 2.220 120.916 118.700 -0.007 0.000 2.362 408 N HA 0.569 5.314 4.740 0.009 0.000 0.299 408 N C -2.541 172.952 175.510 -0.027 0.000 1.170 408 N CA -1.432 51.606 53.050 -0.019 0.000 0.825 408 N CB 0.915 39.389 38.487 -0.022 0.000 1.299 408 N HN 0.316 nan 8.380 nan 0.000 0.502 409 P HA 0.223 nan 4.420 nan 0.000 0.289 409 P C 0.577 177.850 177.300 -0.046 0.000 1.299 409 P CA -0.152 62.916 63.100 -0.053 0.000 0.766 409 P CB 0.225 31.887 31.700 -0.062 0.000 1.226 410 T N -0.266 114.235 114.554 -0.089 0.000 2.714 410 T HA -0.195 4.161 4.350 0.009 0.000 0.268 410 T C 1.865 176.582 174.700 0.028 0.000 1.036 410 T CA 2.418 64.464 62.100 -0.091 0.000 1.148 410 T CB -1.056 67.665 68.868 -0.245 0.000 0.856 410 T HN 0.640 nan 8.240 nan 0.000 0.462 411 S N 1.127 116.830 115.700 0.004 0.000 2.383 411 S HA -0.119 4.357 4.470 0.009 0.000 0.229 411 S C 1.850 176.463 174.600 0.022 0.000 1.030 411 S CA 0.863 59.074 58.200 0.019 0.000 1.002 411 S CB -0.342 62.856 63.200 -0.003 0.000 0.829 411 S HN 0.438 nan 8.310 nan 0.000 0.467 412 K N 1.141 121.547 120.400 0.009 0.000 2.410 412 K HA 0.628 4.954 4.320 0.009 0.000 0.200 412 K C 0.595 177.194 176.600 -0.001 0.000 1.023 412 K CA 0.255 56.541 56.287 -0.002 0.000 1.149 412 K CB -0.338 32.153 32.500 -0.014 0.000 0.859 412 K HN 0.697 nan 8.250 nan 0.000 0.514 413 A N 1.113 123.960 122.820 0.045 0.000 2.462 413 A HA 0.452 4.777 4.320 0.009 0.000 0.243 413 A C 1.757 179.326 177.584 -0.025 0.000 1.076 413 A CA 0.449 52.528 52.037 0.069 0.000 0.773 413 A CB 0.044 19.207 19.000 0.271 0.000 1.010 413 A HN 0.500 nan 8.150 nan 0.000 0.493 414 E N 0.238 120.328 120.200 -0.183 0.000 2.204 414 E HA 0.119 4.474 4.350 0.009 0.000 0.195 414 E C 0.885 177.379 176.600 -0.177 0.000 0.990 414 E CA 1.556 57.687 56.400 -0.448 0.000 0.821 414 E CB -1.195 27.638 29.700 -1.446 0.000 0.750 414 E HN 1.912 nan 8.360 nan 0.000 0.477 415 C N -2.723 116.572 119.300 -0.008 0.000 3.292 415 C HA 0.716 5.182 4.460 0.009 0.000 0.338 415 C C 0.139 175.070 174.990 -0.099 0.000 1.323 415 C CA -0.814 58.212 59.018 0.012 0.000 1.232 415 C CB 1.167 28.946 27.740 0.065 0.000 1.517 415 C HN 0.560 nan 8.230 nan 0.000 0.470 416 S N 1.163 116.686 115.700 -0.296 0.000 2.617 416 S HA 0.617 5.093 4.470 0.009 0.000 0.269 416 S C 1.128 175.079 174.600 -1.081 0.000 1.292 416 S CA 0.127 57.852 58.200 -0.792 0.000 1.010 416 S CB 1.294 64.234 63.200 -0.434 0.000 0.944 416 S HN 2.224 nan 8.310 nan 0.000 0.536 417 A N 1.499 123.401 122.820 -1.530 0.000 1.883 417 A HA 0.019 4.344 4.320 0.009 0.000 0.217 417 A C 2.396 179.491 177.584 -0.816 0.000 1.186 417 A CA 2.102 53.288 52.037 -1.419 0.000 0.624 417 A CB -2.015 16.572 19.000 -0.688 0.000 0.822 417 A HN 1.190 nan 8.150 nan 0.000 0.444 418 E N -0.703 119.237 120.200 -0.433 0.000 2.058 418 E HA -0.306 4.049 4.350 0.009 0.000 0.194 418 E C 2.003 178.471 176.600 -0.220 0.000 0.997 418 E CA 2.011 58.294 56.400 -0.195 0.000 0.801 418 E CB -0.801 28.833 29.700 -0.111 0.000 0.746 418 E HN 0.725 nan 8.360 nan 0.000 0.450 419 Q N -0.517 119.119 119.800 -0.274 0.000 2.084 419 Q HA -0.094 4.251 4.340 0.009 0.000 0.202 419 Q C 2.321 178.173 176.000 -0.246 0.000 0.978 419 Q CA 1.884 57.563 55.803 -0.206 0.000 0.844 419 Q CB -0.995 27.643 28.738 -0.167 0.000 0.898 419 Q HN 0.717 nan 8.270 nan 0.000 0.426 420 C N -0.530 118.505 119.300 -0.441 0.000 2.436 420 C HA -0.155 4.311 4.460 0.009 0.000 0.277 420 C C 2.372 177.165 174.990 -0.328 0.000 1.241 420 C CA 1.009 59.753 59.018 -0.455 0.000 1.721 420 C CB -1.167 26.076 27.740 -0.829 0.000 2.043 420 C HN 0.719 nan 8.230 nan 0.000 0.472 421 Y N 1.223 121.365 120.300 -0.262 0.000 2.220 421 Y HA -0.035 4.521 4.550 0.009 0.000 0.291 421 Y C 2.802 178.630 175.900 -0.120 0.000 1.129 421 Y CA 1.560 59.561 58.100 -0.165 0.000 1.161 421 Y CB -0.552 37.809 38.460 -0.166 0.000 0.997 421 Y HN 0.380 nan 8.280 nan 0.000 0.522 422 K N 1.022 121.431 120.400 0.016 0.000 2.009 422 K HA -0.144 4.182 4.320 0.009 0.000 0.210 422 K C 1.628 178.212 176.600 -0.026 0.000 1.049 422 K CA 1.940 58.220 56.287 -0.012 0.000 0.929 422 K CB -1.257 31.223 32.500 -0.035 0.000 0.714 422 K HN 0.280 nan 8.250 nan 0.000 0.440 423 I N 2.397 122.937 120.570 -0.049 0.000 2.361 423 I HA -0.152 4.024 4.170 0.009 0.000 0.251 423 I C 2.442 178.532 176.117 -0.046 0.000 1.133 423 I CA 2.241 63.510 61.300 -0.051 0.000 1.413 423 I CB -1.199 36.763 38.000 -0.063 0.000 1.073 423 I HN 0.602 nan 8.210 nan 0.000 0.424 424 T N -2.681 111.852 114.554 -0.034 0.000 3.144 424 T HA 0.060 4.415 4.350 0.009 0.000 0.249 424 T C 0.785 175.482 174.700 -0.005 0.000 1.089 424 T CA -0.068 62.018 62.100 -0.023 0.000 0.989 424 T CB -0.189 68.675 68.868 -0.007 0.000 0.992 424 T HN 0.098 nan 8.240 nan 0.000 0.540 425 K N 0.212 120.610 120.400 -0.004 0.000 3.071 425 K HA -0.149 4.177 4.320 0.009 0.000 0.265 425 K C 1.513 178.118 176.600 0.008 0.000 1.060 425 K CA 0.950 57.235 56.287 -0.004 0.000 0.767 425 K CB -2.531 29.959 32.500 -0.016 0.000 1.241 425 K HN 1.711 nan 8.250 nan 0.000 0.486 426 G N -0.884 107.940 108.800 0.040 0.000 2.184 426 G HA2 -0.421 3.545 3.960 0.009 0.000 0.264 426 G HA3 -0.421 3.545 3.960 0.009 0.000 0.264 426 G C 0.910 175.843 174.900 0.054 0.000 0.975 426 G CA 0.802 45.922 45.100 0.034 0.000 0.642 426 G HN 0.582 nan 8.290 nan 0.000 0.536 427 R N 0.462 120.997 120.500 0.058 0.000 2.200 427 R HA 0.433 4.779 4.340 0.009 0.000 0.208 427 R C 1.757 178.109 176.300 0.086 0.000 1.033 427 R CA 0.648 56.778 56.100 0.050 0.000 1.000 427 R CB 0.065 30.376 30.300 0.019 0.000 0.906 427 R HN 0.598 nan 8.270 nan 0.000 0.462 428 A N 1.650 124.548 122.820 0.130 0.000 2.477 428 A HA 0.189 4.515 4.320 0.009 0.000 0.246 428 A C 0.068 177.803 177.584 0.251 0.000 1.078 428 A CA -0.044 52.082 52.037 0.148 0.000 0.770 428 A CB 0.067 19.132 19.000 0.109 0.000 1.011 428 A HN 0.170 nan 8.150 nan 0.000 0.494 429 I N 2.572 123.255 120.570 0.189 0.000 2.297 429 I HA 0.287 4.463 4.170 0.009 0.000 0.291 429 I C -0.564 175.736 176.117 0.304 0.000 1.033 429 I CA 0.183 61.618 61.300 0.226 0.000 1.253 429 I CB 0.314 38.378 38.000 0.107 0.000 1.396 429 I HN 0.632 nan 8.210 nan 0.000 0.476 430 F N 6.777 126.882 119.950 0.259 0.000 2.520 430 F HA 0.826 5.358 4.527 0.010 0.000 0.322 430 F C -0.503 175.509 175.800 0.353 0.000 1.103 430 F CA -0.423 57.719 58.000 0.236 0.000 0.926 430 F CB 1.425 40.398 39.000 -0.044 0.000 1.154 430 F HN 0.422 nan 8.300 nan 0.000 0.453 431 A N 3.126 125.710 122.820 -0.394 0.000 2.539 431 A HA 0.817 5.143 4.320 0.009 0.000 0.296 431 A C -1.306 175.887 177.584 -0.651 0.000 1.073 431 A CA -0.215 51.626 52.037 -0.328 0.000 0.700 431 A CB 1.525 20.512 19.000 -0.021 0.000 1.296 431 A HN 1.075 nan 8.150 nan 0.000 0.405 432 S N -0.363 115.193 115.700 -0.240 0.000 2.632 432 S HA 0.690 5.165 4.470 0.009 0.000 0.289 432 S C 0.826 175.433 174.600 0.011 0.000 1.115 432 S CA -0.032 58.140 58.200 -0.047 0.000 0.889 432 S CB 1.352 64.770 63.200 0.363 0.000 1.116 432 S HN 1.707 nan 8.310 nan 0.000 0.486 433 G N 0.699 109.510 108.800 0.019 0.000 2.394 433 G HA2 0.188 4.153 3.960 0.009 0.000 0.215 433 G HA3 0.188 4.153 3.960 0.009 0.000 0.215 433 G C 0.278 175.169 174.900 -0.015 0.000 1.165 433 G CA 0.253 45.348 45.100 -0.009 0.000 0.784 433 G HN 0.722 nan 8.290 nan 0.000 0.535 434 S N 1.657 117.340 115.700 -0.028 0.000 2.509 434 S HA 0.520 4.996 4.470 0.009 0.000 0.297 434 S C -2.622 171.854 174.600 -0.207 0.000 1.118 434 S CA -1.019 57.110 58.200 -0.119 0.000 1.074 434 S CB 2.346 65.443 63.200 -0.172 0.000 1.038 434 S HN 0.084 nan 8.310 nan 0.000 0.498 435 P HA 0.259 nan 4.420 nan 0.000 0.271 435 P C -1.170 175.984 177.300 -0.244 0.000 1.216 435 P CA -0.063 62.986 63.100 -0.084 0.000 0.771 435 P CB 0.170 31.854 31.700 -0.028 0.000 0.864 436 F N 0.883 120.931 119.950 0.163 0.000 2.492 436 F HA 0.279 4.811 4.527 0.010 0.000 0.327 436 F C 0.979 176.866 175.800 0.145 0.000 1.079 436 F CA -0.532 57.559 58.000 0.152 0.000 0.967 436 F CB 1.225 40.338 39.000 0.189 0.000 1.169 436 F HN 0.180 nan 8.300 nan 0.000 0.472 437 D N 2.931 123.515 120.400 0.308 0.000 2.372 437 D HA 0.205 4.851 4.640 0.009 0.000 0.243 437 D C -2.326 174.081 176.300 0.177 0.000 1.121 437 D CA -0.701 53.420 54.000 0.201 0.000 0.898 437 D CB 0.352 41.237 40.800 0.141 0.000 1.202 437 D HN 0.084 nan 8.370 nan 0.000 0.428 438 P HA -0.029 nan 4.420 nan 0.000 0.263 438 P C -0.906 176.326 177.300 -0.114 0.000 1.175 438 P CA 0.110 63.147 63.100 -0.104 0.000 0.761 438 P CB 0.450 32.020 31.700 -0.216 0.000 0.794 439 V N 4.114 123.926 119.914 -0.170 0.000 2.384 439 V HA 0.235 4.361 4.120 0.009 0.000 0.287 439 V C 0.292 176.261 176.094 -0.208 0.000 1.020 439 V CA -0.281 61.954 62.300 -0.107 0.000 0.850 439 V CB 1.598 33.453 31.823 0.054 0.000 0.987 439 V HN 0.486 nan 8.190 nan 0.000 0.436 440 T N 6.858 121.330 114.554 -0.136 0.000 2.771 440 T HA 0.571 4.927 4.350 0.009 0.000 0.291 440 T C 0.001 174.645 174.700 -0.094 0.000 0.954 440 T CA -0.203 61.824 62.100 -0.122 0.000 1.045 440 T CB 0.649 69.473 68.868 -0.074 0.000 0.917 440 T HN 0.318 nan 8.240 nan 0.000 0.484 441 L N 4.416 125.577 121.223 -0.102 0.000 2.431 441 L HA 0.313 4.659 4.340 0.009 0.000 0.260 441 L C -1.135 175.705 176.870 -0.049 0.000 1.098 441 L CA -2.452 52.344 54.840 -0.074 0.000 0.800 441 L CB 0.780 42.786 42.059 -0.089 0.000 1.210 441 L HN 0.382 nan 8.230 nan 0.000 0.465 442 P HA -0.127 nan 4.420 nan 0.000 0.217 442 P C 0.867 178.152 177.300 -0.025 0.000 1.148 442 P CA 0.977 64.061 63.100 -0.026 0.000 0.828 442 P CB 0.064 31.751 31.700 -0.022 0.000 0.783 443 N N -0.746 117.936 118.700 -0.030 0.000 2.144 443 N HA -0.202 4.544 4.740 0.009 0.000 0.195 443 N C 1.742 177.238 175.510 -0.024 0.000 1.006 443 N CA 2.240 55.273 53.050 -0.027 0.000 0.880 443 N CB -0.893 37.573 38.487 -0.036 0.000 1.018 443 N HN 0.316 nan 8.380 nan 0.000 0.443 444 G N -2.120 106.662 108.800 -0.029 0.000 2.258 444 G HA2 -0.309 3.656 3.960 0.009 0.000 0.233 444 G HA3 -0.309 3.656 3.960 0.009 0.000 0.233 444 G C 0.343 175.228 174.900 -0.026 0.000 1.006 444 G CA 0.729 45.816 45.100 -0.022 0.000 0.620 444 G HN 0.830 nan 8.290 nan 0.000 0.511 445 Q N 0.816 120.595 119.800 -0.035 0.000 2.311 445 Q HA 0.587 4.933 4.340 0.009 0.000 0.272 445 Q C 0.318 176.266 176.000 -0.086 0.000 1.012 445 Q CA 1.089 56.868 55.803 -0.039 0.000 0.891 445 Q CB 0.083 28.796 28.738 -0.043 0.000 1.201 445 Q HN 0.857 nan 8.270 nan 0.000 0.391 446 T N 3.209 117.717 114.554 -0.077 0.000 2.767 446 T HA 0.623 4.979 4.350 0.009 0.000 0.284 446 T C -0.014 174.473 174.700 -0.355 0.000 0.973 446 T CA -0.278 61.685 62.100 -0.228 0.000 0.996 446 T CB 0.264 69.005 68.868 -0.212 0.000 0.927 446 T HN 0.555 nan 8.240 nan 0.000 0.456 447 L N 3.252 124.167 121.223 -0.512 0.000 2.322 447 L HA 0.500 4.846 4.340 0.009 0.000 0.279 447 L C -0.961 175.598 176.870 -0.518 0.000 1.036 447 L CA -1.031 53.545 54.840 -0.440 0.000 0.807 447 L CB 1.004 42.644 42.059 -0.699 0.000 1.226 447 L HN 0.681 nan 8.230 nan 0.000 0.433 448 Y N 2.783 123.116 120.300 0.055 0.000 2.805 448 Y HA 0.283 4.839 4.550 0.009 0.000 0.339 448 Y C -2.076 173.978 175.900 0.256 0.000 1.012 448 Y CA -2.797 55.393 58.100 0.150 0.000 1.262 448 Y CB 0.355 38.882 38.460 0.112 0.000 1.100 448 Y HN 0.348 nan 8.280 nan 0.000 0.559 449 P HA 0.025 nan 4.420 nan 0.000 0.263 449 P C 0.621 178.194 177.300 0.455 0.000 1.195 449 P CA 0.325 63.775 63.100 0.584 0.000 0.762 449 P CB 1.100 33.259 31.700 0.765 0.000 0.799 450 G N 2.892 111.933 108.800 0.403 0.000 2.527 450 G HA2 0.185 4.151 3.960 0.009 0.000 0.248 450 G HA3 0.185 4.151 3.960 0.009 0.000 0.248 450 G C -0.633 174.463 174.900 0.327 0.000 1.231 450 G CA -0.396 44.944 45.100 0.400 0.000 0.838 450 G HN 0.586 nan 8.290 nan 0.000 0.570 451 Q N 0.733 120.663 119.800 0.216 0.000 2.314 451 Q HA 0.430 4.775 4.340 0.009 0.000 0.259 451 Q C 0.610 176.461 176.000 -0.248 0.000 0.951 451 Q CA -0.767 55.068 55.803 0.053 0.000 0.909 451 Q CB 1.021 29.799 28.738 0.068 0.000 1.236 451 Q HN 0.558 nan 8.270 nan 0.000 0.444 452 G N 4.252 112.889 108.800 -0.273 0.000 3.003 452 G HA2 -0.036 3.930 3.960 0.009 0.000 0.266 452 G HA3 -0.036 3.930 3.960 0.009 0.000 0.266 452 G C -0.234 174.538 174.900 -0.212 0.000 0.755 452 G CA -0.242 44.594 45.100 -0.441 0.000 2.061 452 G HN 0.737 nan 8.290 nan 0.000 0.599 453 N N 0.600 119.209 118.700 -0.153 0.000 2.434 453 N HA 0.093 4.839 4.740 0.009 0.000 0.272 453 N C 1.087 176.596 175.510 -0.002 0.000 1.040 453 N CA -0.791 52.217 53.050 -0.070 0.000 0.956 453 N CB 0.629 39.002 38.487 -0.191 0.000 1.108 453 N HN 0.064 nan 8.380 nan 0.000 0.481 454 N N 0.748 119.506 118.700 0.097 0.000 2.513 454 N HA -0.151 4.594 4.740 0.009 0.000 0.187 454 N C 1.148 176.731 175.510 0.122 0.000 1.056 454 N CA 0.796 53.972 53.050 0.211 0.000 0.907 454 N CB -0.048 38.648 38.487 0.348 0.000 0.954 454 N HN 0.555 nan 8.380 nan 0.000 0.445 455 S N -1.233 114.386 115.700 -0.135 0.000 2.522 455 S HA -0.029 4.447 4.470 0.009 0.000 0.227 455 S C 1.625 175.866 174.600 -0.598 0.000 0.986 455 S CA 0.144 57.924 58.200 -0.700 0.000 0.929 455 S CB -0.549 62.363 63.200 -0.480 0.000 0.769 455 S HN 0.383 nan 8.310 nan 0.000 0.529 456 Y N 1.167 121.314 120.300 -0.256 0.000 2.352 456 Y HA -0.013 4.543 4.550 0.010 0.000 0.292 456 Y C 2.359 178.160 175.900 -0.165 0.000 1.136 456 Y CA 0.766 58.760 58.100 -0.178 0.000 1.227 456 Y CB -0.050 38.347 38.460 -0.104 0.000 0.991 456 Y HN 0.192 nan 8.280 nan 0.000 0.545 457 V N -0.997 118.906 119.914 -0.020 0.000 2.599 457 V HA -0.167 3.959 4.120 0.009 0.000 0.237 457 V C 1.926 178.005 176.094 -0.026 0.000 1.081 457 V CA 1.152 63.477 62.300 0.042 0.000 1.107 457 V CB -0.802 31.129 31.823 0.180 0.000 0.808 457 V HN 0.399 nan 8.190 nan 0.000 0.486 458 F N 1.773 121.737 119.950 0.023 0.000 2.134 458 F HA 0.020 4.553 4.527 0.010 0.000 0.299 458 F C -0.211 175.423 175.800 -0.277 0.000 1.097 458 F CA 1.215 59.201 58.000 -0.023 0.000 1.264 458 F CB -2.746 36.317 39.000 0.105 0.000 1.001 458 F HN 0.254 nan 8.300 nan 0.000 0.479 459 P HA -0.008 nan 4.420 nan 0.000 0.215 459 P C 2.080 179.244 177.300 -0.227 0.000 1.157 459 P CA 2.257 65.088 63.100 -0.448 0.000 0.863 459 P CB -0.452 30.963 31.700 -0.476 0.000 0.787 460 G N -0.286 108.403 108.800 -0.184 0.000 2.408 460 G HA2 -0.190 3.775 3.960 0.009 0.000 0.217 460 G HA3 -0.190 3.775 3.960 0.009 0.000 0.217 460 G C 1.643 176.488 174.900 -0.093 0.000 1.150 460 G CA 0.566 45.603 45.100 -0.106 0.000 0.776 460 G HN 0.129 nan 8.290 nan 0.000 0.542 461 V N 1.686 121.536 119.914 -0.108 0.000 2.255 461 V HA -0.191 3.935 4.120 0.009 0.000 0.247 461 V C 3.356 179.388 176.094 -0.103 0.000 1.051 461 V CA 2.238 64.445 62.300 -0.156 0.000 1.018 461 V CB -0.988 30.678 31.823 -0.263 0.000 0.641 461 V HN 0.470 nan 8.190 nan 0.000 0.445 462 A N -0.370 122.432 122.820 -0.031 0.000 1.902 462 A HA -0.212 4.113 4.320 0.009 0.000 0.217 462 A C 2.170 179.787 177.584 0.054 0.000 1.181 462 A CA 2.180 54.274 52.037 0.095 0.000 0.623 462 A CB -0.647 18.493 19.000 0.233 0.000 0.818 462 A HN 0.456 nan 8.150 nan 0.000 0.443 463 L N 0.151 121.377 121.223 0.006 0.000 1.989 463 L HA -0.087 4.258 4.340 0.009 0.000 0.211 463 L C 2.430 179.293 176.870 -0.012 0.000 1.071 463 L CA 2.618 57.455 54.840 -0.004 0.000 0.749 463 L CB -1.171 40.869 42.059 -0.031 0.000 0.890 463 L HN 0.304 nan 8.230 nan 0.000 0.431 464 G N -1.278 107.507 108.800 -0.025 0.000 2.418 464 G HA2 -0.186 3.780 3.960 0.009 0.000 0.217 464 G HA3 -0.186 3.780 3.960 0.009 0.000 0.217 464 G C 1.541 176.430 174.900 -0.018 0.000 1.158 464 G CA 1.046 46.136 45.100 -0.017 0.000 0.771 464 G HN 0.346 nan 8.290 nan 0.000 0.545 465 V N 0.482 120.374 119.914 -0.038 0.000 2.233 465 V HA -0.189 3.937 4.120 0.009 0.000 0.247 465 V C 3.042 179.136 176.094 0.001 0.000 1.050 465 V CA 1.682 63.961 62.300 -0.036 0.000 1.010 465 V CB -0.567 31.234 31.823 -0.037 0.000 0.637 465 V HN 0.240 nan 8.190 nan 0.000 0.444 466 V N 0.161 120.090 119.914 0.025 0.000 2.343 466 V HA -0.257 3.869 4.120 0.009 0.000 0.247 466 V C 2.682 178.797 176.094 0.034 0.000 1.051 466 V CA 1.955 64.276 62.300 0.035 0.000 1.036 466 V CB -1.126 30.723 31.823 0.044 0.000 0.654 466 V HN 0.570 nan 8.190 nan 0.000 0.451 467 A N 0.012 122.849 122.820 0.028 0.000 1.908 467 A HA -0.273 4.053 4.320 0.009 0.000 0.218 467 A C 2.201 179.909 177.584 0.206 0.000 1.181 467 A CA 2.193 54.259 52.037 0.048 0.000 0.627 467 A CB -0.858 18.142 19.000 0.001 0.000 0.818 467 A HN 0.824 nan 8.150 nan 0.000 0.445 468 C N -2.950 116.425 119.300 0.126 0.000 2.906 468 C HA 0.582 5.048 4.460 0.009 0.000 0.274 468 C C 1.577 176.515 174.990 -0.086 0.000 1.257 468 C CA 0.039 59.062 59.018 0.010 0.000 1.695 468 C CB -0.714 26.906 27.740 -0.200 0.000 1.958 468 C HN 1.794 nan 8.230 nan 0.000 0.619 469 G N 1.279 110.070 108.800 -0.015 0.000 2.182 469 G HA2 -0.182 3.784 3.960 0.009 0.000 0.248 469 G HA3 -0.182 3.784 3.960 0.009 0.000 0.248 469 G C -0.330 174.555 174.900 -0.025 0.000 1.042 469 G CA 0.186 45.284 45.100 -0.005 0.000 0.775 469 G HN 0.615 nan 8.290 nan 0.000 0.501 470 L N 0.152 121.349 121.223 -0.044 0.000 2.499 470 L HA 0.359 4.705 4.340 0.009 0.000 0.273 470 L C 1.752 178.617 176.870 -0.008 0.000 1.195 470 L CA 0.470 55.283 54.840 -0.046 0.000 0.882 470 L CB 0.323 42.342 42.059 -0.066 0.000 1.133 470 L HN 0.384 nan 8.230 nan 0.000 0.483 471 R N 2.132 122.631 120.500 -0.002 0.000 2.210 471 R HA 0.099 4.445 4.340 0.009 0.000 0.203 471 R C -0.133 176.185 176.300 0.031 0.000 1.010 471 R CA 0.257 56.368 56.100 0.018 0.000 1.008 471 R CB 0.320 30.626 30.300 0.010 0.000 0.923 471 R HN 0.588 nan 8.270 nan 0.000 0.469 472 Q N -0.089 119.722 119.800 0.017 0.000 2.421 472 Q HA 0.460 4.805 4.340 0.009 0.000 0.280 472 Q C -1.351 174.649 176.000 0.002 0.000 1.085 472 Q CA -0.396 55.427 55.803 0.033 0.000 0.807 472 Q CB 2.876 31.630 28.738 0.026 0.000 1.405 472 Q HN 0.058 nan 8.270 nan 0.000 0.419 473 I N 1.888 122.467 120.570 0.015 0.000 2.371 473 I HA 0.329 4.505 4.170 0.009 0.000 0.282 473 I C 0.108 176.194 176.117 -0.053 0.000 1.031 473 I CA -0.754 60.489 61.300 -0.094 0.000 1.180 473 I CB 0.866 38.776 38.000 -0.151 0.000 1.336 473 I HN 0.583 nan 8.210 nan 0.000 0.467 474 T N -0.476 114.035 114.554 -0.073 0.000 2.847 474 T HA 0.185 4.540 4.350 0.009 0.000 0.279 474 T C 0.835 175.577 174.700 0.070 0.000 0.984 474 T CA -0.656 61.458 62.100 0.023 0.000 0.988 474 T CB 1.566 70.440 68.868 0.010 0.000 1.040 474 T HN 0.396 nan 8.240 nan 0.000 0.528 475 D N 0.389 120.906 120.400 0.195 0.000 2.221 475 D HA -0.116 4.530 4.640 0.009 0.000 0.204 475 D C 1.859 178.259 176.300 0.166 0.000 0.982 475 D CA 0.815 54.989 54.000 0.290 0.000 0.857 475 D CB -0.219 40.747 40.800 0.277 0.000 0.934 475 D HN 0.487 nan 8.370 nan 0.000 0.475 476 N N 0.768 119.508 118.700 0.066 0.000 2.120 476 N HA -0.120 4.625 4.740 0.009 0.000 0.188 476 N C 2.081 177.582 175.510 -0.014 0.000 1.024 476 N CA 0.684 53.748 53.050 0.023 0.000 0.852 476 N CB -0.070 38.420 38.487 0.004 0.000 1.003 476 N HN 0.331 nan 8.380 nan 0.000 0.424 477 I N -1.183 119.328 120.570 -0.098 0.000 2.454 477 I HA -0.125 4.051 4.170 0.009 0.000 0.254 477 I C 1.722 177.722 176.117 -0.195 0.000 1.156 477 I CA 1.308 62.494 61.300 -0.190 0.000 1.433 477 I CB -0.778 37.039 38.000 -0.305 0.000 1.082 477 I HN -0.073 nan 8.210 nan 0.000 0.432 478 F N -0.301 119.626 119.950 -0.037 0.000 2.234 478 F HA -0.027 4.506 4.527 0.009 0.000 0.296 478 F C 2.218 178.012 175.800 -0.011 0.000 1.089 478 F CA 0.788 58.770 58.000 -0.029 0.000 1.343 478 F CB -0.321 38.674 39.000 -0.009 0.000 1.040 478 F HN 0.204 nan 8.300 nan 0.000 0.498 479 L N 0.532 121.850 121.223 0.158 0.000 2.005 479 L HA -0.161 4.185 4.340 0.009 0.000 0.207 479 L C 2.668 179.569 176.870 0.051 0.000 1.072 479 L CA 2.525 57.415 54.840 0.084 0.000 0.744 479 L CB -1.414 40.673 42.059 0.046 0.000 0.895 479 L HN 0.272 nan 8.230 nan 0.000 0.433 480 T N -4.835 109.734 114.554 0.026 0.000 2.788 480 T HA -0.188 4.168 4.350 0.009 0.000 0.268 480 T C 1.826 176.533 174.700 0.011 0.000 1.044 480 T CA 1.818 63.922 62.100 0.007 0.000 1.139 480 T CB -1.200 67.660 68.868 -0.013 0.000 0.867 480 T HN 0.357 nan 8.240 nan 0.000 0.454 481 T N 2.069 116.633 114.554 0.017 0.000 2.720 481 T HA 0.034 4.390 4.350 0.009 0.000 0.268 481 T C 2.446 177.175 174.700 0.049 0.000 1.037 481 T CA 1.446 63.563 62.100 0.028 0.000 1.144 481 T CB -0.873 68.022 68.868 0.045 0.000 0.864 481 T HN 0.635 nan 8.240 nan 0.000 0.444 482 A N 1.451 124.312 122.820 0.068 0.000 1.902 482 A HA -0.148 4.178 4.320 0.009 0.000 0.217 482 A C 2.157 179.756 177.584 0.024 0.000 1.181 482 A CA 1.771 53.841 52.037 0.056 0.000 0.623 482 A CB -0.555 18.484 19.000 0.064 0.000 0.818 482 A HN 0.603 nan 8.150 nan 0.000 0.443 483 E N -0.377 119.835 120.200 0.020 0.000 2.085 483 E HA -0.142 4.213 4.350 0.009 0.000 0.194 483 E C 1.949 178.548 176.600 -0.001 0.000 0.994 483 E CA 1.375 57.779 56.400 0.006 0.000 0.801 483 E CB -0.329 29.375 29.700 0.007 0.000 0.743 483 E HN 0.393 nan 8.360 nan 0.000 0.453 484 V N 1.376 121.292 119.914 0.004 0.000 2.343 484 V HA -0.253 3.872 4.120 0.009 0.000 0.247 484 V C 2.216 178.308 176.094 -0.004 0.000 1.051 484 V CA 1.519 63.820 62.300 0.001 0.000 1.036 484 V CB -0.376 31.449 31.823 0.004 0.000 0.654 484 V HN 0.270 nan 8.190 nan 0.000 0.451 485 I N 0.233 120.802 120.570 -0.001 0.000 2.252 485 I HA -0.218 3.958 4.170 0.009 0.000 0.245 485 I C 2.614 178.697 176.117 -0.057 0.000 1.102 485 I CA 1.411 62.701 61.300 -0.017 0.000 1.385 485 I CB -0.500 37.503 38.000 0.004 0.000 1.064 485 I HN 0.292 nan 8.210 nan 0.000 0.414 486 A N 0.061 122.847 122.820 -0.057 0.000 1.873 486 A HA -0.204 4.122 4.320 0.009 0.000 0.215 486 A C 2.285 179.838 177.584 -0.052 0.000 1.186 486 A CA 1.487 53.477 52.037 -0.078 0.000 0.616 486 A CB -0.780 18.183 19.000 -0.061 0.000 0.823 486 A HN 0.380 nan 8.150 nan 0.000 0.442 487 Q N -1.197 118.585 119.800 -0.030 0.000 2.308 487 Q HA -0.207 4.138 4.340 0.009 0.000 0.209 487 Q C 2.070 178.059 176.000 -0.019 0.000 0.985 487 Q CA 1.734 57.526 55.803 -0.019 0.000 0.881 487 Q CB -0.466 28.266 28.738 -0.010 0.000 0.917 487 Q HN 0.808 nan 8.270 nan 0.000 0.443 488 Q N -0.739 119.047 119.800 -0.023 0.000 2.425 488 Q HA 0.136 4.482 4.340 0.009 0.000 0.204 488 Q C 0.008 175.996 176.000 -0.021 0.000 0.933 488 Q CA 0.114 55.908 55.803 -0.015 0.000 0.939 488 Q CB 0.576 29.311 28.738 -0.006 0.000 1.044 488 Q HN 0.361 nan 8.270 nan 0.000 0.513 489 V N 1.903 121.794 119.914 -0.039 0.000 2.455 489 V HA 0.199 4.324 4.120 0.009 0.000 0.273 489 V C 0.279 176.359 176.094 -0.023 0.000 1.045 489 V CA -0.417 61.859 62.300 -0.039 0.000 0.976 489 V CB 0.863 32.642 31.823 -0.074 0.000 0.993 489 V HN 0.276 nan 8.190 nan 0.000 0.475 490 S N 2.308 118.001 115.700 -0.012 0.000 2.592 490 S HA 0.177 4.653 4.470 0.009 0.000 0.271 490 S C 0.714 175.311 174.600 -0.005 0.000 1.326 490 S CA -0.565 57.631 58.200 -0.008 0.000 1.024 490 S CB 1.133 64.329 63.200 -0.006 0.000 0.921 490 S HN 0.681 nan 8.310 nan 0.000 0.527 491 D N 1.218 121.616 120.400 -0.003 0.000 2.133 491 D HA -0.115 4.530 4.640 0.009 0.000 0.195 491 D C 2.082 178.385 176.300 0.005 0.000 0.997 491 D CA 1.623 55.623 54.000 0.001 0.000 0.840 491 D CB -0.219 40.582 40.800 0.001 0.000 0.947 491 D HN 0.524 nan 8.370 nan 0.000 0.452 492 K N -0.501 119.900 120.400 0.001 0.000 2.044 492 K HA -0.211 4.115 4.320 0.009 0.000 0.210 492 K C 2.351 178.954 176.600 0.006 0.000 1.049 492 K CA 1.853 58.141 56.287 0.001 0.000 0.927 492 K CB -1.185 31.311 32.500 -0.008 0.000 0.713 492 K HN 0.455 nan 8.250 nan 0.000 0.443 493 H N -0.426 118.645 119.070 0.003 0.000 2.423 493 H HA 0.175 4.737 4.556 0.009 0.000 0.297 493 H C 2.177 177.527 175.328 0.036 0.000 1.075 493 H CA 1.594 57.649 56.048 0.013 0.000 1.342 493 H CB -0.332 29.435 29.762 0.008 0.000 1.395 493 H HN 0.320 nan 8.280 nan 0.000 0.530 494 L N 0.266 121.503 121.223 0.024 0.000 2.046 494 L HA -0.148 4.197 4.340 0.009 0.000 0.208 494 L C 3.164 180.060 176.870 0.044 0.000 1.077 494 L CA 1.863 56.722 54.840 0.031 0.000 0.747 494 L CB -0.867 41.201 42.059 0.015 0.000 0.896 494 L HN 0.573 nan 8.230 nan 0.000 0.432 495 E N 0.611 120.832 120.200 0.035 0.000 2.110 495 E HA -0.229 4.127 4.350 0.009 0.000 0.193 495 E C 2.059 178.694 176.600 0.058 0.000 0.988 495 E CA 1.461 57.883 56.400 0.037 0.000 0.804 495 E CB -1.023 28.692 29.700 0.026 0.000 0.745 495 E HN 0.675 nan 8.360 nan 0.000 0.458 496 E N -0.490 119.760 120.200 0.084 0.000 2.511 496 E HA 0.348 4.703 4.350 0.009 0.000 0.196 496 E C 1.845 178.565 176.600 0.200 0.000 1.066 496 E CA 1.073 57.576 56.400 0.172 0.000 0.871 496 E CB -1.079 28.718 29.700 0.163 0.000 0.863 496 E HN 1.573 nan 8.360 nan 0.000 0.520 497 G N 0.296 109.173 108.800 0.129 0.000 2.159 497 G HA2 -0.290 3.676 3.960 0.009 0.000 0.256 497 G HA3 -0.290 3.676 3.960 0.009 0.000 0.256 497 G C 0.499 175.524 174.900 0.208 0.000 0.977 497 G CA 0.161 45.351 45.100 0.149 0.000 0.652 497 G HN 0.533 nan 8.290 nan 0.000 0.531 498 R N -0.044 120.560 120.500 0.173 0.000 2.216 498 R HA 0.508 4.853 4.340 0.009 0.000 0.332 498 R C 1.251 177.588 176.300 0.061 0.000 1.056 498 R CA -0.457 55.739 56.100 0.160 0.000 0.901 498 R CB 0.571 30.952 30.300 0.134 0.000 1.039 498 R HN 0.262 nan 8.270 nan 0.000 0.456 499 L N 2.899 124.126 121.223 0.006 0.000 2.592 499 L HA 0.184 4.529 4.340 0.009 0.000 0.227 499 L C -0.290 176.219 176.870 -0.603 0.000 1.127 499 L CA 0.343 55.037 54.840 -0.243 0.000 0.884 499 L CB 0.090 41.982 42.059 -0.279 0.000 1.065 499 L HN 0.549 nan 8.230 nan 0.000 0.457 500 Y N -1.174 119.062 120.300 -0.106 0.000 2.545 500 Y HA 0.451 5.007 4.550 0.010 0.000 0.348 500 Y C -2.311 173.487 175.900 -0.170 0.000 1.002 500 Y CA -2.866 55.061 58.100 -0.289 0.000 1.039 500 Y CB 0.981 39.117 38.460 -0.540 0.000 1.271 500 Y HN -0.221 nan 8.280 nan 0.000 0.467 501 P HA 0.144 nan 4.420 nan 0.000 0.272 501 P C -2.627 174.774 177.300 0.167 0.000 1.223 501 P CA -1.195 61.937 63.100 0.054 0.000 0.784 501 P CB 0.047 31.779 31.700 0.054 0.000 0.923 502 P HA -0.046 nan 4.420 nan 0.000 0.264 502 P C 0.800 178.208 177.300 0.180 0.000 1.183 502 P CA 0.002 63.184 63.100 0.137 0.000 0.763 502 P CB 0.282 32.019 31.700 0.061 0.000 0.807 503 L N 4.379 125.704 121.223 0.170 0.000 2.261 503 L HA -0.215 4.131 4.340 0.009 0.000 0.216 503 L C 2.399 179.279 176.870 0.018 0.000 1.114 503 L CA 2.398 57.283 54.840 0.075 0.000 0.777 503 L CB -1.865 40.196 42.059 0.003 0.000 0.910 503 L HN 0.476 nan 8.230 nan 0.000 0.440 504 N N -1.490 117.228 118.700 0.031 0.000 2.348 504 N HA -0.186 4.560 4.740 0.009 0.000 0.185 504 N C 1.605 177.126 175.510 0.017 0.000 1.019 504 N CA 1.672 54.730 53.050 0.014 0.000 0.880 504 N CB -1.039 37.455 38.487 0.011 0.000 0.965 504 N HN 0.650 nan 8.380 nan 0.000 0.437 505 T N -2.398 112.181 114.554 0.042 0.000 3.086 505 T HA 0.136 4.491 4.350 0.009 0.000 0.250 505 T C 2.056 176.779 174.700 0.038 0.000 1.074 505 T CA 0.768 62.892 62.100 0.040 0.000 0.988 505 T CB -1.115 67.786 68.868 0.055 0.000 0.988 505 T HN 0.745 nan 8.240 nan 0.000 0.530 506 I N -0.531 120.051 120.570 0.020 0.000 2.335 506 I HA -0.043 4.132 4.170 0.009 0.000 0.251 506 I C 2.652 178.752 176.117 -0.028 0.000 1.129 506 I CA 0.742 62.037 61.300 -0.008 0.000 1.402 506 I CB -1.592 36.333 38.000 -0.126 0.000 1.069 506 I HN 0.279 nan 8.210 nan 0.000 0.424 507 R N 0.929 121.410 120.500 -0.030 0.000 2.096 507 R HA -0.222 4.124 4.340 0.009 0.000 0.240 507 R C 2.115 178.403 176.300 -0.020 0.000 1.139 507 R CA 2.465 58.546 56.100 -0.031 0.000 0.952 507 R CB -1.145 29.140 30.300 -0.025 0.000 0.854 507 R HN 0.670 nan 8.270 nan 0.000 0.436 508 D N -0.571 119.826 120.400 -0.006 0.000 2.162 508 D HA -0.069 4.576 4.640 0.009 0.000 0.203 508 D C 1.912 178.216 176.300 0.007 0.000 0.967 508 D CA 0.564 54.564 54.000 -0.000 0.000 0.840 508 D CB 0.338 41.140 40.800 0.004 0.000 0.972 508 D HN -0.083 nan 8.370 nan 0.000 0.482 509 V N 0.021 119.948 119.914 0.022 0.000 2.255 509 V HA -0.261 3.865 4.120 0.009 0.000 0.247 509 V C 2.418 178.518 176.094 0.009 0.000 1.051 509 V CA 1.783 64.104 62.300 0.035 0.000 1.018 509 V CB -0.752 31.129 31.823 0.096 0.000 0.641 509 V HN 0.175 nan 8.190 nan 0.000 0.445 510 S N 0.080 115.771 115.700 -0.016 0.000 2.370 510 S HA -0.213 4.263 4.470 0.009 0.000 0.226 510 S C 1.889 176.468 174.600 -0.035 0.000 1.033 510 S CA 2.009 60.180 58.200 -0.048 0.000 1.011 510 S CB -0.487 62.662 63.200 -0.086 0.000 0.852 510 S HN 0.493 nan 8.310 nan 0.000 0.457 511 L N 1.650 122.858 121.223 -0.025 0.000 2.017 511 L HA -0.028 4.318 4.340 0.009 0.000 0.208 511 L C 1.912 178.778 176.870 -0.006 0.000 1.073 511 L CA 1.902 56.731 54.840 -0.017 0.000 0.745 511 L CB -0.618 41.433 42.059 -0.014 0.000 0.894 511 L HN -0.034 nan 8.230 nan 0.000 0.432 512 K N 0.014 120.413 120.400 -0.002 0.000 2.057 512 K HA -0.044 4.282 4.320 0.009 0.000 0.207 512 K C 1.999 178.599 176.600 0.000 0.000 1.049 512 K CA 1.956 58.245 56.287 0.003 0.000 0.931 512 K CB -0.508 31.995 32.500 0.006 0.000 0.714 512 K HN 0.439 nan 8.250 nan 0.000 0.440 513 I N -0.053 120.513 120.570 -0.006 0.000 2.226 513 I HA -0.272 3.904 4.170 0.009 0.000 0.245 513 I C 2.157 178.262 176.117 -0.020 0.000 1.100 513 I CA 1.277 62.569 61.300 -0.014 0.000 1.374 513 I CB -0.311 37.677 38.000 -0.021 0.000 1.057 513 I HN 0.105 nan 8.210 nan 0.000 0.413 514 A N 0.358 123.167 122.820 -0.019 0.000 1.930 514 A HA -0.166 4.160 4.320 0.009 0.000 0.217 514 A C 2.273 179.869 177.584 0.019 0.000 1.175 514 A CA 1.640 53.670 52.037 -0.011 0.000 0.627 514 A CB -0.644 18.346 19.000 -0.017 0.000 0.815 514 A HN 0.306 nan 8.150 nan 0.000 0.443 515 E N -0.248 119.967 120.200 0.025 0.000 2.048 515 E HA -0.265 4.091 4.350 0.009 0.000 0.202 515 E C 2.247 178.873 176.600 0.043 0.000 1.021 515 E CA 1.894 58.322 56.400 0.047 0.000 0.825 515 E CB -0.459 29.261 29.700 0.034 0.000 0.756 515 E HN 0.701 nan 8.360 nan 0.000 0.454 516 K N 0.508 120.920 120.400 0.021 0.000 2.032 516 K HA -0.065 4.260 4.320 0.009 0.000 0.209 516 K C 2.046 178.649 176.600 0.006 0.000 1.048 516 K CA 1.749 58.044 56.287 0.013 0.000 0.927 516 K CB -0.801 31.699 32.500 0.001 0.000 0.712 516 K HN 0.331 nan 8.250 nan 0.000 0.441 517 I N -0.095 120.469 120.570 -0.011 0.000 2.163 517 I HA -0.297 3.878 4.170 0.009 0.000 0.243 517 I C 2.101 178.206 176.117 -0.020 0.000 1.085 517 I CA 1.139 62.419 61.300 -0.035 0.000 1.347 517 I CB -0.184 37.779 38.000 -0.061 0.000 1.044 517 I HN -0.023 nan 8.210 nan 0.000 0.408 518 V N 0.987 120.920 119.914 0.031 0.000 2.270 518 V HA -0.323 3.803 4.120 0.009 0.000 0.245 518 V C 2.981 179.153 176.094 0.131 0.000 1.043 518 V CA 2.560 64.913 62.300 0.089 0.000 1.014 518 V CB -1.194 30.764 31.823 0.224 0.000 0.645 518 V HN 0.527 nan 8.190 nan 0.000 0.447 519 K N -0.075 120.395 120.400 0.116 0.000 2.044 519 K HA -0.321 4.005 4.320 0.009 0.000 0.210 519 K C 1.806 178.458 176.600 0.086 0.000 1.049 519 K CA 2.301 58.654 56.287 0.109 0.000 0.927 519 K CB -1.194 31.343 32.500 0.061 0.000 0.713 519 K HN 0.598 nan 8.250 nan 0.000 0.443 520 D N -0.115 120.306 120.400 0.036 0.000 2.117 520 D HA -0.006 4.640 4.640 0.009 0.000 0.197 520 D C 2.210 178.504 176.300 -0.011 0.000 0.987 520 D CA 1.586 55.593 54.000 0.011 0.000 0.829 520 D CB -0.364 40.429 40.800 -0.011 0.000 0.961 520 D HN 0.518 nan 8.370 nan 0.000 0.460 521 A N -0.213 122.567 122.820 -0.066 0.000 1.930 521 A HA -0.175 4.151 4.320 0.009 0.000 0.217 521 A C 1.907 179.368 177.584 -0.205 0.000 1.175 521 A CA 1.002 52.938 52.037 -0.168 0.000 0.627 521 A CB -0.809 18.028 19.000 -0.271 0.000 0.815 521 A HN 0.225 nan 8.150 nan 0.000 0.443 522 Y N -0.676 119.605 120.300 -0.032 0.000 2.220 522 Y HA -0.129 4.426 4.550 0.009 0.000 0.291 522 Y C 3.113 179.027 175.900 0.022 0.000 1.129 522 Y CA 1.390 59.482 58.100 -0.014 0.000 1.161 522 Y CB -0.854 37.560 38.460 -0.077 0.000 0.997 522 Y HN 0.392 nan 8.280 nan 0.000 0.522 523 Q N 0.805 120.695 119.800 0.150 0.000 2.181 523 Q HA -0.199 4.146 4.340 0.009 0.000 0.205 523 Q C 1.297 177.334 176.000 0.062 0.000 0.980 523 Q CA 2.024 57.880 55.803 0.088 0.000 0.862 523 Q CB -0.369 28.403 28.738 0.056 0.000 0.905 523 Q HN 0.759 nan 8.270 nan 0.000 0.429 524 E N -1.001 119.224 120.200 0.042 0.000 2.476 524 E HA 0.082 4.438 4.350 0.009 0.000 0.196 524 E C 0.205 176.822 176.600 0.028 0.000 1.029 524 E CA 0.346 56.760 56.400 0.023 0.000 0.896 524 E CB 0.593 30.293 29.700 0.000 0.000 1.012 524 E HN 0.290 nan 8.360 nan 0.000 0.475 525 K N -0.957 119.481 120.400 0.063 0.000 3.130 525 K HA -0.210 4.116 4.320 0.009 0.000 0.282 525 K C 1.229 177.858 176.600 0.048 0.000 1.145 525 K CA 1.441 57.785 56.287 0.095 0.000 0.831 525 K CB -3.419 29.119 32.500 0.064 0.000 1.226 525 K HN 0.638 nan 8.250 nan 0.000 0.478 526 T N -2.833 111.710 114.554 -0.018 0.000 3.067 526 T HA 0.409 4.765 4.350 0.009 0.000 0.257 526 T C 1.272 175.918 174.700 -0.091 0.000 1.105 526 T CA 0.340 62.414 62.100 -0.044 0.000 1.104 526 T CB 0.109 68.942 68.868 -0.059 0.000 0.925 526 T HN 0.898 nan 8.240 nan 0.000 0.498 527 A N 2.044 124.732 122.820 -0.220 0.000 2.448 527 A HA 0.469 4.795 4.320 0.009 0.000 0.239 527 A C 1.454 178.996 177.584 -0.071 0.000 1.080 527 A CA 0.373 52.178 52.037 -0.388 0.000 0.779 527 A CB 0.102 18.379 19.000 -1.205 0.000 1.026 527 A HN 0.562 nan 8.150 nan 0.000 0.499 528 T N -1.999 112.519 114.554 -0.060 0.000 3.043 528 T HA 0.277 4.633 4.350 0.009 0.000 0.272 528 T C -0.083 174.703 174.700 0.144 0.000 0.990 528 T CA 0.219 62.407 62.100 0.146 0.000 0.897 528 T CB -0.315 68.609 68.868 0.093 0.000 1.111 528 T HN 0.328 nan 8.240 nan 0.000 0.529 529 V N 2.906 122.771 119.914 -0.081 0.000 2.372 529 V HA 0.469 4.595 4.120 0.009 0.000 0.261 529 V C -0.988 174.979 176.094 -0.211 0.000 1.055 529 V CA -0.515 61.775 62.300 -0.016 0.000 0.930 529 V CB -0.791 31.083 31.823 0.085 0.000 1.031 529 V HN 0.432 nan 8.190 nan 0.000 0.479 530 Y N 4.520 124.894 120.300 0.124 0.000 2.570 530 Y HA 0.645 5.200 4.550 0.009 0.000 0.345 530 Y C -1.473 174.451 175.900 0.040 0.000 1.014 530 Y CA -2.223 55.926 58.100 0.082 0.000 1.063 530 Y CB 1.117 39.621 38.460 0.073 0.000 1.272 530 Y HN 0.496 nan 8.280 nan 0.000 0.477 531 P HA 0.069 nan 4.420 nan 0.000 0.272 531 P C -0.863 176.388 177.300 -0.082 0.000 1.223 531 P CA -0.541 62.645 63.100 0.144 0.000 0.784 531 P CB 0.817 32.550 31.700 0.054 0.000 0.923 532 E N 2.698 122.822 120.200 -0.127 0.000 2.415 532 E HA 0.067 4.423 4.350 0.009 0.000 0.263 532 E C -1.712 174.537 176.600 -0.586 0.000 0.995 532 E CA -1.426 54.583 56.400 -0.651 0.000 0.915 532 E CB 0.150 29.523 29.700 -0.545 0.000 0.951 532 E HN 0.289 nan 8.360 nan 0.000 0.449 533 P HA 0.020 nan 4.420 nan 0.000 0.271 533 P C -0.037 177.042 177.300 -0.369 0.000 1.216 533 P CA 0.193 62.956 63.100 -0.562 0.000 0.776 533 P CB 1.301 32.502 31.700 -0.830 0.000 0.881 534 Q N 2.087 121.768 119.800 -0.198 0.000 2.172 534 Q HA -0.098 4.247 4.340 0.009 0.000 0.200 534 Q C 0.959 176.899 176.000 -0.100 0.000 0.964 534 Q CA 1.392 57.115 55.803 -0.132 0.000 0.855 534 Q CB -0.410 28.282 28.738 -0.077 0.000 0.918 534 Q HN 0.531 nan 8.270 nan 0.000 0.444 535 N N -0.251 118.409 118.700 -0.067 0.000 2.524 535 N HA 0.295 5.041 4.740 0.009 0.000 0.261 535 N C -0.254 175.277 175.510 0.036 0.000 0.998 535 N CA -0.339 52.702 53.050 -0.015 0.000 0.915 535 N CB 1.621 40.114 38.487 0.010 0.000 1.187 535 N HN 0.036 nan 8.380 nan 0.000 0.507 536 K N 0.435 120.852 120.400 0.028 0.000 2.097 536 K HA -0.063 4.263 4.320 0.009 0.000 0.205 536 K C 1.588 178.287 176.600 0.165 0.000 1.050 536 K CA 0.831 57.184 56.287 0.110 0.000 0.938 536 K CB -0.181 32.364 32.500 0.074 0.000 0.718 536 K HN 0.461 nan 8.250 nan 0.000 0.442 537 E N -0.064 120.190 120.200 0.090 0.000 2.031 537 E HA -0.136 4.220 4.350 0.009 0.000 0.193 537 E C 2.036 178.675 176.600 0.064 0.000 0.994 537 E CA 1.149 57.588 56.400 0.064 0.000 0.800 537 E CB -0.460 29.261 29.700 0.035 0.000 0.752 537 E HN 0.462 nan 8.360 nan 0.000 0.447 538 A N -0.432 122.430 122.820 0.070 0.000 1.972 538 A HA -0.064 4.261 4.320 0.009 0.000 0.219 538 A C 2.030 179.662 177.584 0.080 0.000 1.169 538 A CA 1.674 53.746 52.037 0.057 0.000 0.635 538 A CB -0.806 18.226 19.000 0.053 0.000 0.810 538 A HN 0.552 nan 8.150 nan 0.000 0.446 539 F N 0.765 120.706 119.950 -0.016 0.000 2.102 539 F HA -0.159 4.374 4.527 0.009 0.000 0.298 539 F C 2.235 178.036 175.800 0.001 0.000 1.105 539 F CA 1.970 59.963 58.000 -0.012 0.000 1.239 539 F CB -0.470 38.517 39.000 -0.022 0.000 0.991 539 F HN 0.028 nan 8.300 nan 0.000 0.474 540 V N 1.081 120.946 119.914 -0.081 0.000 2.295 540 V HA -0.310 3.816 4.120 0.009 0.000 0.246 540 V C 2.540 178.541 176.094 -0.154 0.000 1.049 540 V CA 2.312 64.517 62.300 -0.159 0.000 1.024 540 V CB -0.717 31.098 31.823 -0.013 0.000 0.648 540 V HN 0.280 nan 8.190 nan 0.000 0.447 541 R N 0.905 121.356 120.500 -0.083 0.000 2.091 541 R HA -0.172 4.174 4.340 0.009 0.000 0.238 541 R C 2.521 178.766 176.300 -0.092 0.000 1.136 541 R CA 1.825 57.884 56.100 -0.068 0.000 0.959 541 R CB -0.674 29.604 30.300 -0.036 0.000 0.856 541 R HN 0.715 nan 8.270 nan 0.000 0.437 542 S N 0.763 116.393 115.700 -0.117 0.000 2.440 542 S HA -0.121 4.355 4.470 0.009 0.000 0.238 542 S C 1.465 175.976 174.600 -0.148 0.000 1.010 542 S CA 0.838 58.968 58.200 -0.117 0.000 0.972 542 S CB -0.006 63.133 63.200 -0.101 0.000 0.774 542 S HN 0.249 nan 8.310 nan 0.000 0.501 543 Q N 0.461 120.135 119.800 -0.211 0.000 2.319 543 Q HA 0.379 4.724 4.340 0.009 0.000 0.202 543 Q C 0.124 176.072 176.000 -0.086 0.000 0.896 543 Q CA 0.181 55.878 55.803 -0.176 0.000 0.942 543 Q CB -0.215 28.364 28.738 -0.266 0.000 1.083 543 Q HN 0.649 nan 8.270 nan 0.000 0.510 544 M N 0.566 120.126 119.600 -0.066 0.000 2.264 544 M HA 0.217 4.703 4.480 0.009 0.000 0.352 544 M C -0.453 175.859 176.300 0.021 0.000 1.173 544 M CA -0.941 54.348 55.300 -0.019 0.000 1.075 544 M CB 0.878 33.457 32.600 -0.035 0.000 1.621 544 M HN -0.026 nan 8.290 nan 0.000 0.457 545 Y N 1.860 122.107 120.300 -0.089 0.000 2.511 545 Y HA 0.176 4.732 4.550 0.009 0.000 0.332 545 Y C 0.193 176.043 175.900 -0.084 0.000 1.177 545 Y CA 0.455 58.501 58.100 -0.091 0.000 1.422 545 Y CB 0.782 39.160 38.460 -0.136 0.000 1.271 545 Y HN 0.686 nan 8.280 nan 0.000 0.550 546 S N 3.054 118.378 115.700 -0.626 0.000 2.593 546 S HA 0.249 4.725 4.470 0.009 0.000 0.297 546 S C 0.613 174.735 174.600 -0.798 0.000 1.112 546 S CA -0.367 57.526 58.200 -0.511 0.000 1.043 546 S CB 1.616 64.635 63.200 -0.300 0.000 1.054 546 S HN 0.861 nan 8.310 nan 0.000 0.516 547 T N 2.098 116.395 114.554 -0.428 0.000 3.107 547 T HA 0.165 4.521 4.350 0.009 0.000 0.249 547 T C -0.297 174.195 174.700 -0.347 0.000 1.096 547 T CA 0.109 62.022 62.100 -0.311 0.000 1.012 547 T CB -0.388 68.393 68.868 -0.145 0.000 0.977 547 T HN 0.550 nan 8.240 nan 0.000 0.527 548 D N 1.005 121.213 120.400 -0.321 0.000 2.350 548 D HA 0.134 4.779 4.640 0.009 0.000 0.249 548 D C -0.344 175.832 176.300 -0.206 0.000 1.119 548 D CA -0.143 53.698 54.000 -0.265 0.000 0.886 548 D CB 0.525 41.234 40.800 -0.152 0.000 1.195 548 D HN 0.393 nan 8.370 nan 0.000 0.437 549 Y N 1.410 121.663 120.300 -0.079 0.000 2.632 549 Y HA -0.063 4.492 4.550 0.009 0.000 0.329 549 Y C 1.199 177.068 175.900 -0.051 0.000 1.174 549 Y CA -0.390 57.668 58.100 -0.070 0.000 1.469 549 Y CB 0.445 38.849 38.460 -0.093 0.000 1.242 549 Y HN 0.150 nan 8.280 nan 0.000 0.540 550 D N 2.346 122.830 120.400 0.140 0.000 2.414 550 D HA -0.027 4.618 4.640 0.009 0.000 0.242 550 D C -0.202 176.151 176.300 0.088 0.000 1.129 550 D CA 0.003 54.054 54.000 0.084 0.000 0.885 550 D CB 0.819 41.667 40.800 0.081 0.000 1.198 550 D HN 0.403 nan 8.370 nan 0.000 0.437 551 Q N 0.543 120.382 119.800 0.065 0.000 2.314 551 Q HA 0.351 4.697 4.340 0.009 0.000 0.258 551 Q C 1.355 177.396 176.000 0.069 0.000 0.954 551 Q CA 0.013 55.853 55.803 0.062 0.000 0.890 551 Q CB 1.156 29.920 28.738 0.044 0.000 1.210 551 Q HN 0.552 nan 8.270 nan 0.000 0.410 552 I N 0.958 121.578 120.570 0.083 0.000 2.494 552 I HA 0.397 4.573 4.170 0.009 0.000 0.250 552 I C 1.604 177.754 176.117 0.055 0.000 1.112 552 I CA 1.477 62.826 61.300 0.081 0.000 1.438 552 I CB -1.438 36.628 38.000 0.110 0.000 1.111 552 I HN 0.818 nan 8.210 nan 0.000 0.431 553 L N 2.529 123.782 121.223 0.050 0.000 2.565 553 L HA 0.576 4.922 4.340 0.009 0.000 0.275 553 L C -0.978 175.907 176.870 0.025 0.000 1.137 553 L CA -1.506 53.353 54.840 0.031 0.000 0.915 553 L CB -1.841 40.234 42.059 0.026 0.000 1.232 553 L HN 0.583 nan 8.230 nan 0.000 0.473 554 P HA 0.527 nan 4.420 nan 0.000 0.272 554 P C 0.147 177.454 177.300 0.012 0.000 1.254 554 P CA 0.534 63.644 63.100 0.016 0.000 0.795 554 P CB 0.331 32.039 31.700 0.014 0.000 1.022 555 D N 0.000 120.406 120.400 0.009 0.000 6.856 555 D HA 0.000 4.646 4.640 0.009 0.000 0.175 555 D CA 0.000 54.004 54.000 0.006 0.000 0.868 555 D CB 0.000 40.804 40.800 0.006 0.000 0.688 555 D HN 0.000 nan 8.370 nan 0.000 0.683