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 2gsk_1_A DATA FIRST_RESID 5 DATA SEQUENCE PDTLVVTANR FEQPRSTVLA PTTVVTRQDI DRWQSTSVND VLRRLPGVDI DATA SEQUENCE TQNGGSGQLS SIFIRGTNAS HVLVLIDGVR LNLAGVSGSA DLSQFPIALV DATA SEQUENCE QRVEYIRGPR SAVYGSDAIG GVVNIITTRD EPGTEISAGW GSNSYQNYDV DATA SEQUENCE STQQQLGDKT RVTLLGDYAH THGYDVVAYG NTGTQAQTDN DGFLSKTLYG DATA SEQUENCE ALEHNFTDAW SGFVRGYGYD NRTNYDAYYS PGSPLLDTRK LYSQSWDAGL DATA SEQUENCE RYNGELIKSQ LITSYSHSKD YNYDPHYGRY DSSATLDEMK QYTVQWANNV DATA SEQUENCE IVGHGSIGAG VDWQKQTTTP GTGYVEDGYD QRNTGIYLTG LQQVGDFTFE DATA SEQUENCE GAARSDDNSQ FGRHGTWQTS AGWEFIEGYR FIASYGTSYK APNLGQLYGF DATA SEQUENCE YGNPNLDPEK SKQWEGAFEG LTAGVNWRIS GYRNDVSDLI DYDDHTLKYY DATA SEQUENCE NEGKARIKGV EATANFDTGP LTHTVSYDYV DARNAITDTP LLRRAKQQVK DATA SEQUENCE YQLDWQLYDF DWGITYQYLG TRYDKDYSSY PYQTVKMGGV SLWDLAVAYP DATA SEQUENCE VTSHLTVRGK IANLFDKDYE TVYGYQTAGR EYTLSGSYTF 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.304 177.300 0.006 0.000 1.155 5 P CA 0.000 63.104 63.100 0.007 0.000 0.800 5 P CB 0.000 31.704 31.700 0.007 0.000 0.726 6 D N 0.477 120.881 120.400 0.006 0.000 2.339 6 D HA 0.455 4.978 4.640 -0.195 0.000 0.245 6 D C -0.151 176.152 176.300 0.005 0.000 1.115 6 D CA 0.499 54.502 54.000 0.005 0.000 0.917 6 D CB 0.740 41.543 40.800 0.005 0.000 1.192 6 D HN 0.179 nan 8.370 nan 0.000 0.428 7 T N 1.717 116.274 114.554 0.004 0.000 2.770 7 T HA 0.438 4.671 4.350 -0.195 0.000 0.283 7 T C 0.252 174.954 174.700 0.003 0.000 0.988 7 T CA -0.662 61.440 62.100 0.003 0.000 0.957 7 T CB 0.596 69.466 68.868 0.003 0.000 0.930 7 T HN 0.051 nan 8.240 nan 0.000 0.443 8 L N 2.829 124.053 121.223 0.002 0.000 2.360 8 L HA 0.729 4.953 4.340 -0.195 0.000 0.271 8 L C -0.438 176.432 176.870 0.000 0.000 1.057 8 L CA -1.134 53.707 54.840 0.001 0.000 0.803 8 L CB 1.439 43.498 42.059 0.000 0.000 1.207 8 L HN 0.304 nan 8.230 nan 0.000 0.445 9 V N 2.665 122.579 119.914 -0.000 0.000 2.483 9 V HA 0.339 4.342 4.120 -0.195 0.000 0.297 9 V C -0.254 175.839 176.094 -0.002 0.000 1.027 9 V CA -0.593 61.706 62.300 -0.001 0.000 0.855 9 V CB 2.239 34.062 31.823 0.000 0.000 0.995 9 V HN 0.413 nan 8.190 nan 0.000 0.424 10 V N 3.988 123.900 119.914 -0.003 0.000 2.347 10 V HA 0.486 4.489 4.120 -0.195 0.000 0.280 10 V C 0.271 176.362 176.094 -0.006 0.000 1.021 10 V CA -0.276 62.021 62.300 -0.004 0.000 0.847 10 V CB 1.724 33.544 31.823 -0.006 0.000 0.990 10 V HN 0.918 nan 8.190 nan 0.000 0.444 11 T N 4.011 118.561 114.554 -0.007 0.000 2.794 11 T HA 0.618 4.851 4.350 -0.195 0.000 0.280 11 T C 0.409 175.098 174.700 -0.017 0.000 0.987 11 T CA -0.272 61.820 62.100 -0.013 0.000 0.993 11 T CB 1.595 70.455 68.868 -0.012 0.000 0.939 11 T HN 0.925 nan 8.240 nan 0.000 0.449 12 A N 3.458 126.262 122.820 -0.027 0.000 2.548 12 A HA 0.179 4.382 4.320 -0.195 0.000 0.247 12 A C 0.698 178.252 177.584 -0.051 0.000 1.067 12 A CA -0.290 51.726 52.037 -0.035 0.000 0.757 12 A CB -0.341 18.633 19.000 -0.042 0.000 0.996 12 A HN 0.758 nan 8.150 nan 0.000 0.504 13 N N 1.683 120.361 118.700 -0.036 0.000 2.431 13 N HA 0.017 4.640 4.740 -0.195 0.000 0.265 13 N C 1.062 176.493 175.510 -0.132 0.000 1.184 13 N CA 0.039 53.068 53.050 -0.036 0.000 0.943 13 N CB 0.422 38.934 38.487 0.042 0.000 1.080 13 N HN 0.669 nan 8.380 nan 0.000 0.477 14 R N 2.942 123.244 120.500 -0.329 0.000 2.193 14 R HA -0.056 4.167 4.340 -0.195 0.000 0.229 14 R C 0.407 176.389 176.300 -0.531 0.000 1.110 14 R CA 1.184 56.984 56.100 -0.500 0.000 0.988 14 R CB -0.068 29.789 30.300 -0.738 0.000 0.871 14 R HN 0.554 nan 8.270 nan 0.000 0.458 15 F N 0.547 120.477 119.950 -0.034 0.000 2.797 15 F HA 0.207 4.617 4.527 -0.194 0.000 0.302 15 F C 0.158 175.947 175.800 -0.017 0.000 1.130 15 F CA 0.084 58.066 58.000 -0.031 0.000 1.387 15 F CB 0.109 39.092 39.000 -0.028 0.000 1.107 15 F HN -0.138 nan 8.300 nan 0.000 0.577 16 E N 0.898 121.138 120.200 0.067 0.000 2.200 16 E HA 0.195 4.428 4.350 -0.195 0.000 0.283 16 E C -0.223 176.390 176.600 0.021 0.000 1.015 16 E CA -0.586 55.842 56.400 0.047 0.000 0.819 16 E CB 0.734 30.450 29.700 0.026 0.000 1.081 16 E HN -0.127 nan 8.360 nan 0.000 0.397 17 Q N 5.311 125.134 119.800 0.040 0.000 2.430 17 Q HA 0.251 4.475 4.340 -0.195 0.000 0.245 17 Q C -2.396 173.626 176.000 0.036 0.000 1.021 17 Q CA -2.323 53.501 55.803 0.035 0.000 0.867 17 Q CB 0.650 29.422 28.738 0.057 0.000 1.210 17 Q HN 0.253 nan 8.270 nan 0.000 0.487 18 P HA 0.285 nan 4.420 nan 0.000 0.274 18 P C -0.694 176.623 177.300 0.028 0.000 1.231 18 P CA -0.391 62.724 63.100 0.025 0.000 0.790 18 P CB 0.791 32.498 31.700 0.013 0.000 0.951 19 R N 0.698 121.218 120.500 0.034 0.000 2.577 19 R HA 0.248 4.471 4.340 -0.195 0.000 0.269 19 R C 0.292 176.593 176.300 0.002 0.000 1.084 19 R CA -0.547 55.563 56.100 0.017 0.000 1.163 19 R CB -0.723 29.605 30.300 0.047 0.000 1.100 19 R HN 0.383 nan 8.270 nan 0.000 0.547 20 S N 1.027 116.714 115.700 -0.021 0.000 3.811 20 S HA 0.041 4.394 4.470 -0.195 0.000 0.205 20 S C 0.385 174.977 174.600 -0.014 0.000 1.445 20 S CA -0.136 58.060 58.200 -0.007 0.000 1.097 20 S CB -0.473 62.729 63.200 0.004 0.000 1.350 20 S HN 0.670 nan 8.310 nan 0.000 0.471 21 T N -3.076 111.475 114.554 -0.006 0.000 3.393 21 T HA 0.115 4.348 4.350 -0.195 0.000 0.298 21 T C 1.380 176.074 174.700 -0.010 0.000 1.004 21 T CA -0.090 62.007 62.100 -0.004 0.000 0.956 21 T CB -0.309 68.571 68.868 0.020 0.000 1.182 21 T HN 0.290 nan 8.240 nan 0.000 0.497 22 V N -0.197 119.712 119.914 -0.008 0.000 2.594 22 V HA 0.125 4.128 4.120 -0.195 0.000 0.253 22 V C 1.875 177.949 176.094 -0.034 0.000 1.069 22 V CA 1.070 63.360 62.300 -0.018 0.000 1.082 22 V CB -0.887 30.930 31.823 -0.011 0.000 0.680 22 V HN 0.573 nan 8.190 nan 0.000 0.469 23 L N 0.636 121.840 121.223 -0.031 0.000 2.509 23 L HA 0.420 4.643 4.340 -0.195 0.000 0.222 23 L C 1.599 178.434 176.870 -0.058 0.000 1.123 23 L CA 0.415 55.226 54.840 -0.049 0.000 0.856 23 L CB -0.443 41.593 42.059 -0.040 0.000 0.985 23 L HN 0.456 nan 8.230 nan 0.000 0.456 24 A N 0.866 123.655 122.820 -0.051 0.000 2.322 24 A HA 0.495 4.699 4.320 -0.195 0.000 0.269 24 A C -2.251 175.283 177.584 -0.084 0.000 1.094 24 A CA -1.218 50.779 52.037 -0.067 0.000 0.807 24 A CB -0.194 18.771 19.000 -0.058 0.000 1.047 24 A HN -0.101 nan 8.150 nan 0.000 0.487 25 P HA 0.284 nan 4.420 nan 0.000 0.276 25 P C -0.435 176.750 177.300 -0.192 0.000 1.253 25 P CA 0.282 63.310 63.100 -0.120 0.000 0.766 25 P CB 0.692 32.324 31.700 -0.112 0.000 0.845 26 T N -0.292 114.168 114.554 -0.157 0.000 2.903 26 T HA 0.674 4.907 4.350 -0.195 0.000 0.299 26 T C -0.665 173.973 174.700 -0.103 0.000 1.093 26 T CA -0.613 61.379 62.100 -0.180 0.000 1.002 26 T CB 1.500 70.311 68.868 -0.096 0.000 1.127 26 T HN 0.204 nan 8.240 nan 0.000 0.488 27 T N 1.287 115.803 114.554 -0.064 0.000 2.893 27 T HA 0.653 4.886 4.350 -0.195 0.000 0.293 27 T C -0.788 173.956 174.700 0.073 0.000 1.027 27 T CA -0.662 61.472 62.100 0.058 0.000 0.988 27 T CB 1.715 70.691 68.868 0.180 0.000 1.043 27 T HN 0.709 nan 8.240 nan 0.000 0.461 28 V N 2.810 122.759 119.914 0.059 0.000 2.555 28 V HA 0.589 4.592 4.120 -0.195 0.000 0.302 28 V C -0.399 175.723 176.094 0.046 0.000 1.038 28 V CA -0.733 61.592 62.300 0.043 0.000 0.887 28 V CB 1.909 33.740 31.823 0.013 0.000 0.991 28 V HN 0.735 nan 8.190 nan 0.000 0.434 29 V N 3.835 123.770 119.914 0.035 0.000 2.417 29 V HA 0.588 4.591 4.120 -0.195 0.000 0.291 29 V C 0.442 176.493 176.094 -0.072 0.000 1.024 29 V CA -0.375 61.920 62.300 -0.008 0.000 0.861 29 V CB 1.922 33.781 31.823 0.059 0.000 0.985 29 V HN 1.047 nan 8.190 nan 0.000 0.436 30 T N 1.858 116.331 114.554 -0.135 0.000 2.923 30 T HA 0.445 4.678 4.350 -0.195 0.000 0.281 30 T C 0.848 175.438 174.700 -0.184 0.000 0.995 30 T CA -0.549 61.469 62.100 -0.137 0.000 0.985 30 T CB 1.596 70.385 68.868 -0.131 0.000 1.114 30 T HN 0.426 nan 8.240 nan 0.000 0.548 31 R N -0.046 120.363 120.500 -0.152 0.000 2.189 31 R HA 0.056 4.279 4.340 -0.195 0.000 0.218 31 R C 2.471 178.657 176.300 -0.189 0.000 1.074 31 R CA 1.353 57.360 56.100 -0.155 0.000 0.991 31 R CB -0.647 29.580 30.300 -0.122 0.000 0.883 31 R HN 0.786 nan 8.270 nan 0.000 0.457 32 Q N -0.128 119.554 119.800 -0.198 0.000 2.119 32 Q HA -0.144 4.079 4.340 -0.195 0.000 0.201 32 Q C 1.104 176.892 176.000 -0.352 0.000 0.972 32 Q CA 1.484 57.155 55.803 -0.219 0.000 0.847 32 Q CB 0.021 28.654 28.738 -0.176 0.000 0.903 32 Q HN 0.424 nan 8.270 nan 0.000 0.433 33 D N 0.777 120.878 120.400 -0.499 0.000 2.097 33 D HA -0.120 4.403 4.640 -0.195 0.000 0.197 33 D C 1.965 177.620 176.300 -1.076 0.000 0.984 33 D CA 1.006 54.401 54.000 -1.008 0.000 0.826 33 D CB -0.129 39.965 40.800 -1.177 0.000 0.973 33 D HN 0.233 nan 8.370 nan 0.000 0.460 34 I N 1.549 121.775 120.570 -0.574 0.000 2.142 34 I HA -0.259 3.794 4.170 -0.195 0.000 0.240 34 I C 1.972 178.009 176.117 -0.132 0.000 1.078 34 I CA 1.094 62.257 61.300 -0.229 0.000 1.343 34 I CB -0.230 37.707 38.000 -0.105 0.000 1.046 34 I HN -0.152 nan 8.210 nan 0.000 0.405 35 D N 0.805 121.110 120.400 -0.158 0.000 2.126 35 D HA -0.213 4.310 4.640 -0.195 0.000 0.190 35 D C 2.311 178.559 176.300 -0.087 0.000 1.001 35 D CA 1.406 55.343 54.000 -0.104 0.000 0.841 35 D CB -0.391 40.341 40.800 -0.114 0.000 0.949 35 D HN 0.261 nan 8.370 nan 0.000 0.446 36 R N -0.319 120.084 120.500 -0.161 0.000 2.083 36 R HA -0.126 4.098 4.340 -0.195 0.000 0.237 36 R C 2.272 178.610 176.300 0.064 0.000 1.137 36 R CA 1.136 57.173 56.100 -0.106 0.000 0.951 36 R CB -0.257 29.921 30.300 -0.204 0.000 0.851 36 R HN 0.327 nan 8.270 nan 0.000 0.434 37 W N 0.841 122.127 121.300 -0.023 0.000 2.595 37 W HA -0.028 4.515 4.660 -0.196 0.000 0.257 37 W C 0.569 177.073 176.519 -0.024 0.000 1.267 37 W CA 0.314 57.648 57.345 -0.017 0.000 1.300 37 W CB -0.494 28.956 29.460 -0.017 0.000 1.120 37 W HN 0.303 nan 8.180 nan 0.000 0.618 38 Q N -0.480 119.423 119.800 0.171 0.000 2.481 38 Q HA -0.184 4.040 4.340 -0.195 0.000 0.272 38 Q C 0.209 176.250 176.000 0.070 0.000 1.157 38 Q CA 0.536 56.390 55.803 0.085 0.000 0.935 38 Q CB -2.115 26.657 28.738 0.056 0.000 1.338 38 Q HN -0.063 nan 8.270 nan 0.000 0.494 39 S N 0.620 116.389 115.700 0.115 0.000 2.544 39 S HA 0.092 4.445 4.470 -0.195 0.000 0.290 39 S C 1.369 175.983 174.600 0.024 0.000 1.276 39 S CA 0.618 58.864 58.200 0.076 0.000 1.075 39 S CB 0.736 64.019 63.200 0.139 0.000 0.849 39 S HN 0.459 nan 8.310 nan 0.000 0.494 40 T N -1.135 113.405 114.554 -0.022 0.000 3.069 40 T HA 0.307 4.540 4.350 -0.195 0.000 0.252 40 T C 0.420 175.128 174.700 0.012 0.000 1.053 40 T CA -0.003 62.084 62.100 -0.022 0.000 0.964 40 T CB -0.167 68.613 68.868 -0.146 0.000 1.005 40 T HN 0.596 nan 8.240 nan 0.000 0.532 41 S N -0.788 114.914 115.700 0.004 0.000 2.570 41 S HA 0.508 4.861 4.470 -0.195 0.000 0.270 41 S C 0.578 175.180 174.600 0.004 0.000 1.149 41 S CA -0.573 57.629 58.200 0.004 0.000 0.837 41 S CB 1.492 64.674 63.200 -0.030 0.000 1.124 41 S HN -0.123 nan 8.310 nan 0.000 0.465 42 V N 2.185 122.103 119.914 0.006 0.000 2.626 42 V HA -0.125 3.878 4.120 -0.195 0.000 0.252 42 V C 2.236 178.303 176.094 -0.045 0.000 1.067 42 V CA 1.861 64.158 62.300 -0.005 0.000 1.081 42 V CB -1.055 30.770 31.823 0.003 0.000 0.686 42 V HN 0.835 nan 8.190 nan 0.000 0.468 43 N N 0.450 119.113 118.700 -0.061 0.000 2.188 43 N HA -0.187 4.436 4.740 -0.195 0.000 0.184 43 N C 1.686 177.147 175.510 -0.083 0.000 1.018 43 N CA 1.754 54.753 53.050 -0.085 0.000 0.858 43 N CB -0.355 38.080 38.487 -0.088 0.000 0.989 43 N HN 0.562 nan 8.380 nan 0.000 0.426 44 D N 0.787 121.149 120.400 -0.062 0.000 2.149 44 D HA -0.091 4.432 4.640 -0.195 0.000 0.198 44 D C 1.855 178.107 176.300 -0.079 0.000 0.990 44 D CA 0.523 54.481 54.000 -0.070 0.000 0.839 44 D CB 0.185 40.959 40.800 -0.042 0.000 0.948 44 D HN -0.056 nan 8.370 nan 0.000 0.460 45 V N 0.319 120.228 119.914 -0.009 0.000 2.237 45 V HA -0.224 3.779 4.120 -0.195 0.000 0.245 45 V C 2.592 178.652 176.094 -0.058 0.000 1.046 45 V CA 1.503 63.831 62.300 0.047 0.000 1.007 45 V CB -0.578 31.318 31.823 0.121 0.000 0.638 45 V HN 0.299 nan 8.190 nan 0.000 0.445 46 L N 0.478 121.636 121.223 -0.108 0.000 2.201 46 L HA -0.132 4.091 4.340 -0.195 0.000 0.212 46 L C 2.633 179.380 176.870 -0.205 0.000 1.105 46 L CA 1.438 56.160 54.840 -0.196 0.000 0.775 46 L CB -0.704 41.201 42.059 -0.257 0.000 0.913 46 L HN 0.435 nan 8.230 nan 0.000 0.440 47 R N 0.592 120.988 120.500 -0.173 0.000 2.237 47 R HA -0.121 4.102 4.340 -0.195 0.000 0.219 47 R C 1.905 178.093 176.300 -0.187 0.000 1.080 47 R CA 1.010 57.011 56.100 -0.166 0.000 0.995 47 R CB -0.598 29.615 30.300 -0.144 0.000 0.875 47 R HN 0.233 nan 8.270 nan 0.000 0.462 48 R N 0.319 120.677 120.500 -0.237 0.000 2.236 48 R HA 0.209 4.432 4.340 -0.195 0.000 0.208 48 R C 0.075 176.286 176.300 -0.147 0.000 1.036 48 R CA 0.350 56.282 56.100 -0.280 0.000 1.001 48 R CB -0.062 29.904 30.300 -0.558 0.000 0.896 48 R HN 0.195 nan 8.270 nan 0.000 0.464 49 L N 1.386 122.551 121.223 -0.096 0.000 2.344 49 L HA 0.412 4.635 4.340 -0.195 0.000 0.272 49 L C -2.280 174.643 176.870 0.089 0.000 1.035 49 L CA -2.706 52.149 54.840 0.025 0.000 0.807 49 L CB 1.013 43.098 42.059 0.044 0.000 1.237 49 L HN -0.281 nan 8.230 nan 0.000 0.442 50 P HA 0.117 nan 4.420 nan 0.000 0.271 50 P C 0.696 178.119 177.300 0.205 0.000 1.216 50 P CA 0.454 63.644 63.100 0.150 0.000 0.776 50 P CB 0.904 32.684 31.700 0.133 0.000 0.881 51 G N 0.998 109.875 108.800 0.128 0.000 2.199 51 G HA2 -0.208 3.636 3.960 -0.195 0.000 0.254 51 G HA3 -0.208 3.636 3.960 -0.195 0.000 0.254 51 G C -0.028 174.935 174.900 0.104 0.000 0.982 51 G CA -0.074 45.101 45.100 0.125 0.000 0.632 51 G HN 0.536 nan 8.290 nan 0.000 0.529 52 V N 1.459 121.402 119.914 0.048 0.000 2.407 52 V HA 0.595 4.598 4.120 -0.195 0.000 0.278 52 V C -0.402 175.673 176.094 -0.032 0.000 1.037 52 V CA -0.254 62.016 62.300 -0.049 0.000 0.900 52 V CB 1.790 33.493 31.823 -0.199 0.000 0.983 52 V HN 0.335 nan 8.190 nan 0.000 0.459 53 D N 4.989 125.400 120.400 0.017 0.000 2.505 53 D HA 0.425 4.948 4.640 -0.195 0.000 0.250 53 D C -0.703 175.666 176.300 0.115 0.000 1.164 53 D CA -0.289 53.735 54.000 0.041 0.000 0.870 53 D CB 1.140 41.967 40.800 0.046 0.000 1.160 53 D HN 0.388 nan 8.370 nan 0.000 0.549 54 I N 3.146 123.738 120.570 0.036 0.000 2.336 54 I HA 0.272 4.325 4.170 -0.195 0.000 0.292 54 I C 0.841 177.001 176.117 0.072 0.000 0.991 54 I CA -0.518 60.802 61.300 0.034 0.000 1.227 54 I CB 1.772 39.743 38.000 -0.049 0.000 1.366 54 I HN 0.357 nan 8.210 nan 0.000 0.466 55 T N 2.771 117.402 114.554 0.127 0.000 2.952 55 T HA 0.608 4.841 4.350 -0.195 0.000 0.286 55 T C -0.678 174.017 174.700 -0.007 0.000 1.024 55 T CA -0.740 61.410 62.100 0.083 0.000 1.029 55 T CB 2.387 71.345 68.868 0.151 0.000 1.094 55 T HN 0.639 nan 8.240 nan 0.000 0.515 56 Q N 0.279 120.054 119.800 -0.041 0.000 2.295 56 Q HA 0.286 4.509 4.340 -0.195 0.000 0.268 56 Q C -1.073 174.838 176.000 -0.147 0.000 1.010 56 Q CA -0.656 55.086 55.803 -0.101 0.000 0.856 56 Q CB 1.544 30.236 28.738 -0.077 0.000 1.349 56 Q HN 0.731 nan 8.270 nan 0.000 0.412 57 N N 2.591 121.132 118.700 -0.265 0.000 3.115 57 N HA 0.173 4.796 4.740 -0.195 0.000 0.305 57 N C 0.101 175.567 175.510 -0.073 0.000 1.305 57 N CA 1.081 53.850 53.050 -0.467 0.000 1.154 57 N CB 0.724 38.793 38.487 -0.696 0.000 1.454 57 N HN 0.838 nan 8.380 nan 0.000 0.551 58 G N -0.774 108.051 108.800 0.042 0.000 2.390 58 G HA2 -0.085 3.758 3.960 -0.195 0.000 0.202 58 G HA3 -0.085 3.758 3.960 -0.195 0.000 0.202 58 G C -0.076 174.855 174.900 0.051 0.000 1.210 58 G CA -0.303 44.845 45.100 0.080 0.000 1.271 58 G HN 0.550 nan 8.290 nan 0.000 0.543 59 G N -0.821 107.937 108.800 -0.070 0.000 3.214 59 G HA2 0.612 4.455 3.960 -0.195 0.000 0.188 59 G HA3 0.612 4.455 3.960 -0.195 0.000 0.188 59 G C 0.020 174.833 174.900 -0.145 0.000 1.126 59 G CA 0.890 45.977 45.100 -0.022 0.000 0.796 59 G HN 1.539 nan 8.290 nan 0.000 0.631 60 S N 0.185 115.808 115.700 -0.129 0.000 2.546 60 S HA 0.392 4.745 4.470 -0.195 0.000 0.290 60 S C 1.290 175.592 174.600 -0.496 0.000 1.262 60 S CA 1.082 59.156 58.200 -0.210 0.000 1.083 60 S CB 0.528 63.719 63.200 -0.015 0.000 0.859 60 S HN 2.090 nan 8.310 nan 0.000 0.495 61 G N 2.760 111.027 108.800 -0.887 0.000 2.258 61 G HA2 -0.231 3.613 3.960 -0.195 0.000 0.233 61 G HA3 -0.231 3.613 3.960 -0.195 0.000 0.233 61 G C -0.031 174.495 174.900 -0.623 0.000 1.006 61 G CA -0.206 43.992 45.100 -1.503 0.000 0.620 61 G HN 0.598 nan 8.290 nan 0.000 0.511 62 Q N 0.014 119.589 119.800 -0.376 0.000 2.382 62 Q HA 0.661 4.884 4.340 -0.195 0.000 0.229 62 Q C 0.493 176.347 176.000 -0.243 0.000 1.006 62 Q CA -0.631 55.030 55.803 -0.236 0.000 0.916 62 Q CB 1.043 29.684 28.738 -0.161 0.000 1.235 62 Q HN 0.543 nan 8.270 nan 0.000 0.512 63 L N 1.494 122.572 121.223 -0.242 0.000 2.540 63 L HA 0.138 4.362 4.340 -0.195 0.000 0.276 63 L C -0.559 176.185 176.870 -0.210 0.000 1.212 63 L CA 0.810 55.511 54.840 -0.231 0.000 0.893 63 L CB 0.089 41.992 42.059 -0.260 0.000 1.138 63 L HN 0.701 nan 8.230 nan 0.000 0.491 64 S N 2.922 118.512 115.700 -0.183 0.000 2.532 64 S HA 0.839 5.192 4.470 -0.195 0.000 0.301 64 S C -0.383 174.108 174.600 -0.180 0.000 1.083 64 S CA -0.783 57.320 58.200 -0.162 0.000 1.025 64 S CB 1.642 64.757 63.200 -0.142 0.000 1.056 64 S HN 0.688 nan 8.310 nan 0.000 0.494 65 S N 1.328 116.918 115.700 -0.183 0.000 2.513 65 S HA 0.636 4.989 4.470 -0.195 0.000 0.299 65 S C -0.774 173.608 174.600 -0.364 0.000 1.087 65 S CA -0.750 57.261 58.200 -0.315 0.000 1.012 65 S CB 0.764 63.760 63.200 -0.339 0.000 1.044 65 S HN 0.716 nan 8.310 nan 0.000 0.485 66 I N 2.872 123.132 120.570 -0.516 0.000 2.411 66 I HA 0.364 4.417 4.170 -0.195 0.000 0.284 66 I C -1.506 174.317 176.117 -0.490 0.000 1.012 66 I CA -0.407 60.673 61.300 -0.366 0.000 1.119 66 I CB 0.923 38.771 38.000 -0.254 0.000 1.261 66 I HN 0.517 nan 8.210 nan 0.000 0.448 67 F N 6.770 126.673 119.950 -0.080 0.000 2.308 67 F HA 0.431 4.841 4.527 -0.195 0.000 0.370 67 F C 0.116 175.892 175.800 -0.041 0.000 1.100 67 F CA -0.813 57.154 58.000 -0.054 0.000 1.108 67 F CB 0.611 39.581 39.000 -0.050 0.000 1.293 67 F HN 0.167 nan 8.300 nan 0.000 0.478 68 I N 3.759 124.387 120.570 0.097 0.000 2.371 68 I HA 0.218 4.272 4.170 -0.195 0.000 0.290 68 I C 0.941 177.102 176.117 0.073 0.000 1.028 68 I CA -0.750 60.600 61.300 0.083 0.000 1.345 68 I CB 0.777 38.827 38.000 0.084 0.000 1.407 68 I HN 0.636 nan 8.210 nan 0.000 0.501 69 R N 4.472 125.002 120.500 0.050 0.000 3.225 69 R HA -0.251 3.972 4.340 -0.195 0.000 0.245 69 R C 1.111 177.496 176.300 0.142 0.000 0.928 69 R CA 0.619 56.739 56.100 0.034 0.000 0.632 69 R CB -1.691 28.416 30.300 -0.321 0.000 1.038 69 R HN 1.151 nan 8.270 nan 0.000 0.461 70 G N -1.222 107.660 108.800 0.136 0.000 2.184 70 G HA2 -0.399 3.445 3.960 -0.195 0.000 0.264 70 G HA3 -0.399 3.445 3.960 -0.195 0.000 0.264 70 G C 0.356 175.346 174.900 0.149 0.000 0.975 70 G CA 0.774 45.941 45.100 0.112 0.000 0.642 70 G HN 0.731 nan 8.290 nan 0.000 0.536 71 T N -1.219 113.447 114.554 0.186 0.000 2.824 71 T HA 0.600 4.833 4.350 -0.195 0.000 0.277 71 T C 0.504 175.342 174.700 0.231 0.000 0.975 71 T CA -0.306 61.938 62.100 0.241 0.000 0.966 71 T CB 1.282 70.309 68.868 0.266 0.000 1.054 71 T HN 0.150 nan 8.240 nan 0.000 0.533 72 N N -0.103 118.616 118.700 0.032 0.000 2.399 72 N HA 0.385 5.009 4.740 -0.195 0.000 0.250 72 N C 1.533 176.861 175.510 -0.304 0.000 1.272 72 N CA 0.035 52.986 53.050 -0.166 0.000 0.928 72 N CB 0.272 38.417 38.487 -0.571 0.000 1.158 72 N HN 0.845 nan 8.380 nan 0.000 0.463 73 A N 0.410 122.958 122.820 -0.453 0.000 2.032 73 A HA -0.176 4.027 4.320 -0.195 0.000 0.221 73 A C 1.767 179.152 177.584 -0.332 0.000 1.165 73 A CA 2.130 53.818 52.037 -0.581 0.000 0.645 73 A CB -0.665 17.971 19.000 -0.605 0.000 0.807 73 A HN 0.672 nan 8.150 nan 0.000 0.453 74 S N -1.924 113.603 115.700 -0.288 0.000 2.575 74 S HA 0.056 4.410 4.470 -0.195 0.000 0.215 74 S C 1.086 175.681 174.600 -0.009 0.000 0.966 74 S CA 0.396 58.503 58.200 -0.155 0.000 0.911 74 S CB -0.784 62.337 63.200 -0.132 0.000 0.780 74 S HN 0.779 nan 8.310 nan 0.000 0.514 75 H N -0.170 118.838 119.070 -0.103 0.000 2.548 75 H HA 0.353 4.793 4.556 -0.194 0.000 0.265 75 H C 0.357 175.636 175.328 -0.081 0.000 0.969 75 H CA -0.050 55.949 56.048 -0.082 0.000 1.155 75 H CB 0.543 30.272 29.762 -0.055 0.000 1.394 75 H HN 0.276 nan 8.280 nan 0.000 0.570 76 V N 2.325 122.247 119.914 0.013 0.000 2.461 76 V HA 0.085 4.089 4.120 -0.195 0.000 0.275 76 V C -0.531 175.538 176.094 -0.043 0.000 1.047 76 V CA -0.699 61.584 62.300 -0.028 0.000 0.955 76 V CB 0.777 32.555 31.823 -0.075 0.000 0.988 76 V HN 0.114 nan 8.190 nan 0.000 0.471 77 L N 8.325 129.524 121.223 -0.040 0.000 2.278 77 L HA 0.476 4.700 4.340 -0.195 0.000 0.287 77 L C -0.325 176.498 176.870 -0.079 0.000 1.072 77 L CA 0.517 55.327 54.840 -0.049 0.000 0.819 77 L CB 1.170 43.211 42.059 -0.031 0.000 1.176 77 L HN 0.479 nan 8.230 nan 0.000 0.435 78 V N 7.125 126.990 119.914 -0.082 0.000 2.347 78 V HA 0.418 4.421 4.120 -0.195 0.000 0.280 78 V C 0.136 176.171 176.094 -0.098 0.000 1.021 78 V CA -0.514 61.719 62.300 -0.111 0.000 0.847 78 V CB 1.226 32.978 31.823 -0.118 0.000 0.990 78 V HN 0.599 nan 8.190 nan 0.000 0.444 79 L N 5.657 126.805 121.223 -0.125 0.000 2.334 79 L HA 0.651 4.875 4.340 -0.195 0.000 0.273 79 L C -0.735 176.061 176.870 -0.123 0.000 1.013 79 L CA -0.760 54.026 54.840 -0.092 0.000 0.816 79 L CB 2.009 44.017 42.059 -0.085 0.000 1.278 79 L HN 0.364 nan 8.230 nan 0.000 0.431 80 I N 1.909 122.445 120.570 -0.057 0.000 2.382 80 I HA 0.207 4.260 4.170 -0.195 0.000 0.285 80 I C -0.169 175.981 176.117 0.055 0.000 1.007 80 I CA -0.275 60.997 61.300 -0.047 0.000 1.142 80 I CB 1.171 39.202 38.000 0.050 0.000 1.289 80 I HN 0.699 nan 8.210 nan 0.000 0.453 81 D N 5.429 125.848 120.400 0.031 0.000 2.751 81 D HA -0.207 4.317 4.640 -0.195 0.000 0.233 81 D C 1.240 177.599 176.300 0.099 0.000 1.149 81 D CA 1.462 55.502 54.000 0.068 0.000 0.682 81 D CB -0.765 40.102 40.800 0.112 0.000 1.068 81 D HN 1.161 nan 8.370 nan 0.000 0.429 82 G N -2.325 106.520 108.800 0.074 0.000 2.175 82 G HA2 -0.271 3.573 3.960 -0.195 0.000 0.244 82 G HA3 -0.271 3.573 3.960 -0.195 0.000 0.244 82 G C 0.256 175.232 174.900 0.127 0.000 0.982 82 G CA 0.218 45.389 45.100 0.119 0.000 0.641 82 G HN 0.570 nan 8.290 nan 0.000 0.527 83 V N 1.114 121.094 119.914 0.110 0.000 2.555 83 V HA 0.532 4.535 4.120 -0.195 0.000 0.302 83 V C 0.927 177.063 176.094 0.071 0.000 1.038 83 V CA -1.190 61.177 62.300 0.112 0.000 0.887 83 V CB 1.664 33.574 31.823 0.145 0.000 0.991 83 V HN 0.393 nan 8.190 nan 0.000 0.434 84 R N 2.605 123.140 120.500 0.059 0.000 2.504 84 R HA 0.065 4.289 4.340 -0.195 0.000 0.291 84 R C -0.233 176.088 176.300 0.036 0.000 0.974 84 R CA -0.284 55.835 56.100 0.032 0.000 1.077 84 R CB 0.042 30.361 30.300 0.032 0.000 0.926 84 R HN 0.526 nan 8.270 nan 0.000 0.407 85 L N 3.382 124.618 121.223 0.022 0.000 2.490 85 L HA -0.011 4.212 4.340 -0.195 0.000 0.274 85 L C -0.225 176.671 176.870 0.044 0.000 1.201 85 L CA 0.114 54.986 54.840 0.053 0.000 0.869 85 L CB 0.250 42.329 42.059 0.034 0.000 1.123 85 L HN 0.454 nan 8.230 nan 0.000 0.484 86 N N 4.141 122.871 118.700 0.049 0.000 2.365 86 N HA 0.122 4.745 4.740 -0.195 0.000 0.265 86 N C -0.891 174.634 175.510 0.026 0.000 1.288 86 N CA 0.253 53.315 53.050 0.020 0.000 0.869 86 N CB 0.015 38.499 38.487 -0.006 0.000 1.071 86 N HN 0.446 nan 8.380 nan 0.000 0.480 87 L N 2.520 123.754 121.223 0.018 0.000 2.442 87 L HA 0.492 4.716 4.340 -0.195 0.000 0.261 87 L C 0.311 177.197 176.870 0.026 0.000 1.000 87 L CA -0.397 54.451 54.840 0.014 0.000 0.882 87 L CB 0.842 42.905 42.059 0.005 0.000 1.207 87 L HN 0.572 nan 8.230 nan 0.000 0.443 88 A N 3.119 125.948 122.820 0.015 0.000 2.303 88 A HA 0.603 4.806 4.320 -0.195 0.000 0.217 88 A C 0.975 178.583 177.584 0.039 0.000 1.205 88 A CA 0.396 52.449 52.037 0.027 0.000 0.875 88 A CB -0.155 18.829 19.000 -0.027 0.000 0.910 88 A HN 0.681 nan 8.150 nan 0.000 0.501 89 G N -1.254 107.554 108.800 0.014 0.000 2.539 89 G HA2 0.355 4.198 3.960 -0.195 0.000 0.258 89 G HA3 0.355 4.198 3.960 -0.195 0.000 0.258 89 G C 0.944 175.865 174.900 0.035 0.000 1.202 89 G CA 0.272 45.376 45.100 0.005 0.000 0.851 89 G HN 0.284 nan 8.290 nan 0.000 0.556 90 V N 1.274 121.234 119.914 0.077 0.000 2.515 90 V HA -0.167 3.836 4.120 -0.195 0.000 0.250 90 V C 3.025 179.107 176.094 -0.021 0.000 1.058 90 V CA 2.880 65.234 62.300 0.090 0.000 1.064 90 V CB -0.436 31.578 31.823 0.318 0.000 0.675 90 V HN 0.912 nan 8.190 nan 0.000 0.461 91 S N 0.278 115.983 115.700 0.009 0.000 2.419 91 S HA -0.013 4.341 4.470 -0.195 0.000 0.233 91 S C 1.833 176.393 174.600 -0.067 0.000 1.016 91 S CA 1.310 59.503 58.200 -0.012 0.000 0.974 91 S CB -0.597 62.576 63.200 -0.044 0.000 0.786 91 S HN 1.757 nan 8.310 nan 0.000 0.492 92 G N 0.972 109.731 108.800 -0.069 0.000 2.155 92 G HA2 -0.272 3.572 3.960 -0.195 0.000 0.257 92 G HA3 -0.272 3.572 3.960 -0.195 0.000 0.257 92 G C 0.101 174.953 174.900 -0.080 0.000 0.983 92 G CA 0.517 45.574 45.100 -0.072 0.000 0.676 92 G HN 1.632 nan 8.290 nan 0.000 0.528 93 S N -0.475 115.170 115.700 -0.092 0.000 2.451 93 S HA 0.827 5.181 4.470 -0.195 0.000 0.301 93 S C 0.376 174.911 174.600 -0.109 0.000 1.116 93 S CA 0.307 58.433 58.200 -0.124 0.000 1.093 93 S CB 2.161 65.260 63.200 -0.169 0.000 1.017 93 S HN 1.849 nan 8.310 nan 0.000 0.482 94 A N 2.177 124.931 122.820 -0.110 0.000 2.511 94 A HA 0.367 4.570 4.320 -0.195 0.000 0.242 94 A C 0.094 177.612 177.584 -0.110 0.000 1.069 94 A CA -0.210 51.773 52.037 -0.091 0.000 0.763 94 A CB -0.103 18.842 19.000 -0.092 0.000 1.001 94 A HN 0.874 nan 8.150 nan 0.000 0.498 95 D N 2.571 122.925 120.400 -0.077 0.000 2.464 95 D HA 0.350 4.873 4.640 -0.195 0.000 0.243 95 D C 0.269 176.537 176.300 -0.052 0.000 1.104 95 D CA -0.208 53.739 54.000 -0.088 0.000 0.883 95 D CB 0.352 41.102 40.800 -0.083 0.000 1.050 95 D HN 0.381 nan 8.370 nan 0.000 0.524 96 L N 2.370 123.550 121.223 -0.072 0.000 2.612 96 L HA 0.006 4.230 4.340 -0.195 0.000 0.230 96 L C 2.064 178.914 176.870 -0.034 0.000 1.140 96 L CA 0.158 54.978 54.840 -0.034 0.000 0.896 96 L CB -0.121 41.892 42.059 -0.077 0.000 1.065 96 L HN 0.347 nan 8.230 nan 0.000 0.447 97 S N -1.091 114.555 115.700 -0.089 0.000 2.447 97 S HA -0.150 4.204 4.470 -0.195 0.000 0.233 97 S C 1.719 176.249 174.600 -0.116 0.000 1.006 97 S CA 0.562 58.670 58.200 -0.153 0.000 0.957 97 S CB -0.030 63.017 63.200 -0.255 0.000 0.773 97 S HN 0.426 nan 8.310 nan 0.000 0.507 98 Q N -0.249 119.542 119.800 -0.014 0.000 2.408 98 Q HA 0.354 4.578 4.340 -0.195 0.000 0.205 98 Q C -0.244 175.747 176.000 -0.015 0.000 0.919 98 Q CA -0.070 55.786 55.803 0.087 0.000 0.932 98 Q CB -0.132 28.692 28.738 0.143 0.000 1.058 98 Q HN 0.671 nan 8.270 nan 0.000 0.517 99 F N 3.688 123.553 119.950 -0.142 0.000 2.472 99 F HA 0.221 4.632 4.527 -0.193 0.000 0.364 99 F C -2.029 173.591 175.800 -0.300 0.000 1.090 99 F CA -2.542 55.282 58.000 -0.292 0.000 1.188 99 F CB 0.925 39.833 39.000 -0.154 0.000 1.105 99 F HN -0.142 nan 8.300 nan 0.000 0.536 100 P HA 0.070 nan 4.420 nan 0.000 0.276 100 P C 0.768 177.931 177.300 -0.228 0.000 1.243 100 P CA -0.038 62.769 63.100 -0.489 0.000 0.768 100 P CB 0.847 32.179 31.700 -0.614 0.000 0.856 101 I N 4.094 124.623 120.570 -0.069 0.000 2.399 101 I HA -0.287 3.767 4.170 -0.195 0.000 0.254 101 I C 1.904 177.988 176.117 -0.056 0.000 1.146 101 I CA 1.605 62.898 61.300 -0.013 0.000 1.412 101 I CB -0.654 37.349 38.000 0.006 0.000 1.076 101 I HN 0.417 nan 8.210 nan 0.000 0.432 102 A N -0.516 122.239 122.820 -0.109 0.000 2.121 102 A HA -0.056 4.148 4.320 -0.195 0.000 0.218 102 A C 2.156 179.633 177.584 -0.179 0.000 1.154 102 A CA 1.174 53.137 52.037 -0.123 0.000 0.679 102 A CB -0.715 18.216 19.000 -0.115 0.000 0.795 102 A HN 0.499 nan 8.150 nan 0.000 0.458 103 L N -0.315 120.782 121.223 -0.210 0.000 2.567 103 L HA 0.083 4.306 4.340 -0.195 0.000 0.225 103 L C -0.105 176.695 176.870 -0.117 0.000 1.119 103 L CA -0.141 54.546 54.840 -0.256 0.000 0.871 103 L CB 0.319 42.160 42.059 -0.363 0.000 1.036 103 L HN 0.063 nan 8.230 nan 0.000 0.459 104 V N 1.518 121.413 119.914 -0.031 0.000 2.372 104 V HA 0.057 4.060 4.120 -0.195 0.000 0.261 104 V C 0.771 176.815 176.094 -0.083 0.000 1.055 104 V CA -0.093 62.195 62.300 -0.020 0.000 0.930 104 V CB 1.012 32.842 31.823 0.013 0.000 1.031 104 V HN 0.321 nan 8.190 nan 0.000 0.479 105 Q N 3.695 123.432 119.800 -0.105 0.000 2.378 105 Q HA 0.275 4.498 4.340 -0.195 0.000 0.216 105 Q C 0.795 176.741 176.000 -0.090 0.000 0.892 105 Q CA 0.258 55.996 55.803 -0.109 0.000 0.931 105 Q CB 1.102 29.765 28.738 -0.124 0.000 1.086 105 Q HN 0.703 nan 8.270 nan 0.000 0.528 106 R N -0.322 120.132 120.500 -0.078 0.000 2.629 106 R HA 0.484 4.707 4.340 -0.195 0.000 0.266 106 R C -1.840 174.425 176.300 -0.058 0.000 1.051 106 R CA -0.293 55.768 56.100 -0.065 0.000 0.895 106 R CB 1.909 32.176 30.300 -0.055 0.000 1.246 106 R HN -0.146 nan 8.270 nan 0.000 0.459 107 V N 2.833 122.724 119.914 -0.038 0.000 2.448 107 V HA 0.397 4.400 4.120 -0.195 0.000 0.295 107 V C -0.581 175.511 176.094 -0.003 0.000 1.025 107 V CA -0.699 61.582 62.300 -0.032 0.000 0.859 107 V CB 1.734 33.546 31.823 -0.018 0.000 0.988 107 V HN 0.742 nan 8.190 nan 0.000 0.431 108 E N 3.688 123.877 120.200 -0.019 0.000 2.133 108 E HA 0.439 4.672 4.350 -0.195 0.000 0.274 108 E C -1.721 174.891 176.600 0.020 0.000 0.930 108 E CA -0.613 55.786 56.400 -0.002 0.000 0.770 108 E CB 2.110 31.793 29.700 -0.028 0.000 1.104 108 E HN 0.613 nan 8.360 nan 0.000 0.403 109 Y N 4.507 124.755 120.300 -0.087 0.000 2.346 109 Y HA 0.505 4.940 4.550 -0.192 0.000 0.332 109 Y C -1.651 174.202 175.900 -0.078 0.000 0.985 109 Y CA -1.245 56.797 58.100 -0.098 0.000 1.112 109 Y CB 0.696 39.116 38.460 -0.067 0.000 1.170 109 Y HN 0.541 nan 8.280 nan 0.000 0.447 110 I N 7.774 128.123 120.570 -0.369 0.000 2.740 110 I HA 0.667 4.720 4.170 -0.195 0.000 0.303 110 I C -1.411 174.417 176.117 -0.483 0.000 1.044 110 I CA -0.885 60.137 61.300 -0.464 0.000 1.064 110 I CB 1.225 39.125 38.000 -0.166 0.000 1.249 110 I HN 0.779 nan 8.210 nan 0.000 0.433 111 R N 5.257 125.494 120.500 -0.438 0.000 2.771 111 R HA 0.863 5.087 4.340 -0.195 0.000 0.274 111 R C -0.422 175.737 176.300 -0.234 0.000 0.987 111 R CA -0.011 55.916 56.100 -0.287 0.000 0.908 111 R CB 1.261 31.390 30.300 -0.285 0.000 1.213 111 R HN 0.992 nan 8.270 nan 0.000 0.468 112 G N 1.527 110.192 108.800 -0.224 0.000 2.582 112 G HA2 -0.167 3.677 3.960 -0.195 0.000 0.222 112 G HA3 -0.167 3.677 3.960 -0.195 0.000 0.222 112 G C -2.218 172.583 174.900 -0.165 0.000 1.311 112 G CA -0.375 44.591 45.100 -0.222 0.000 0.915 112 G HN 0.383 nan 8.290 nan 0.000 0.528 113 P HA -0.066 nan 4.420 nan 0.000 0.221 113 P C 1.639 178.845 177.300 -0.157 0.000 1.145 113 P CA 1.198 64.190 63.100 -0.180 0.000 0.795 113 P CB 0.010 31.603 31.700 -0.178 0.000 0.775 114 R N -0.899 119.537 120.500 -0.107 0.000 2.276 114 R HA 0.177 4.401 4.340 -0.195 0.000 0.196 114 R C 2.134 178.413 176.300 -0.034 0.000 0.961 114 R CA 0.362 56.420 56.100 -0.070 0.000 1.024 114 R CB -1.209 29.063 30.300 -0.047 0.000 0.940 114 R HN 0.191 nan 8.270 nan 0.000 0.480 115 S N 1.728 117.408 115.700 -0.034 0.000 2.407 115 S HA -0.181 4.172 4.470 -0.195 0.000 0.235 115 S C 1.913 176.560 174.600 0.079 0.000 1.036 115 S CA 1.504 59.722 58.200 0.030 0.000 1.013 115 S CB -0.142 63.039 63.200 -0.032 0.000 0.820 115 S HN 0.467 nan 8.310 nan 0.000 0.476 116 A N 0.624 123.445 122.820 0.002 0.000 2.239 116 A HA 0.130 4.334 4.320 -0.195 0.000 0.209 116 A C 2.060 179.647 177.584 0.005 0.000 1.171 116 A CA 0.616 52.657 52.037 0.007 0.000 0.768 116 A CB -0.642 18.337 19.000 -0.034 0.000 0.790 116 A HN 0.340 nan 8.150 nan 0.000 0.478 117 V N -0.929 118.967 119.914 -0.030 0.000 2.380 117 V HA -0.295 3.708 4.120 -0.195 0.000 0.251 117 V C 2.001 177.959 176.094 -0.226 0.000 1.063 117 V CA 2.106 64.322 62.300 -0.140 0.000 1.055 117 V CB -0.719 30.963 31.823 -0.234 0.000 0.657 117 V HN 0.729 nan 8.190 nan 0.000 0.455 118 Y N 0.900 121.139 120.300 -0.101 0.000 2.578 118 Y HA 0.428 4.861 4.550 -0.194 0.000 0.297 118 Y C 1.071 176.931 175.900 -0.068 0.000 1.176 118 Y CA 0.687 58.726 58.100 -0.101 0.000 1.315 118 Y CB -0.093 38.326 38.460 -0.068 0.000 1.031 118 Y HN 0.443 nan 8.280 nan 0.000 0.524 119 G N -1.086 107.766 108.800 0.086 0.000 2.226 119 G HA2 0.069 3.913 3.960 -0.195 0.000 0.257 119 G HA3 0.069 3.913 3.960 -0.195 0.000 0.257 119 G C 0.304 175.239 174.900 0.058 0.000 1.732 119 G CA -0.333 44.810 45.100 0.070 0.000 0.914 119 G HN 0.049 nan 8.290 nan 0.000 0.742 120 S N 0.214 115.958 115.700 0.073 0.000 2.469 120 S HA -0.103 4.250 4.470 -0.195 0.000 0.238 120 S C 1.434 176.059 174.600 0.041 0.000 0.998 120 S CA 1.892 60.139 58.200 0.077 0.000 0.957 120 S CB -0.053 63.231 63.200 0.141 0.000 0.764 120 S HN 0.815 nan 8.310 nan 0.000 0.514 121 D N 1.430 121.839 120.400 0.014 0.000 2.328 121 D HA 0.218 4.741 4.640 -0.195 0.000 0.221 121 D C 0.640 176.901 176.300 -0.064 0.000 1.072 121 D CA 0.317 54.283 54.000 -0.057 0.000 0.850 121 D CB -0.232 40.530 40.800 -0.064 0.000 0.922 121 D HN 0.492 nan 8.370 nan 0.000 0.516 122 A N 1.271 124.069 122.820 -0.036 0.000 3.026 122 A HA 0.268 4.471 4.320 -0.195 0.000 0.272 122 A C 1.530 179.067 177.584 -0.078 0.000 1.782 122 A CA -0.455 51.559 52.037 -0.038 0.000 1.451 122 A CB -1.129 17.866 19.000 -0.009 0.000 1.081 122 A HN 0.215 nan 8.150 nan 0.000 0.611 123 I N 0.578 121.069 120.570 -0.133 0.000 2.163 123 I HA -0.243 3.810 4.170 -0.195 0.000 0.243 123 I C 2.463 178.513 176.117 -0.113 0.000 1.085 123 I CA 1.882 63.064 61.300 -0.197 0.000 1.347 123 I CB -0.255 37.462 38.000 -0.472 0.000 1.044 123 I HN 0.577 nan 8.210 nan 0.000 0.408 124 G N -0.607 108.171 108.800 -0.037 0.000 2.524 124 G HA2 0.414 4.257 3.960 -0.195 0.000 0.210 124 G HA3 0.414 4.257 3.960 -0.195 0.000 0.210 124 G C 0.566 175.447 174.900 -0.032 0.000 1.187 124 G CA 0.754 45.846 45.100 -0.013 0.000 0.825 124 G HN 0.534 nan 8.290 nan 0.000 0.558 125 G N -1.838 106.962 108.800 -0.000 0.000 2.548 125 G HA2 0.473 4.316 3.960 -0.195 0.000 0.301 125 G HA3 0.473 4.316 3.960 -0.195 0.000 0.301 125 G C -2.212 172.692 174.900 0.006 0.000 1.349 125 G CA -0.223 44.887 45.100 0.017 0.000 0.792 125 G HN 0.525 nan 8.290 nan 0.000 0.481 126 V N -0.059 119.854 119.914 -0.002 0.000 2.577 126 V HA 0.596 4.599 4.120 -0.195 0.000 0.303 126 V C -0.524 175.548 176.094 -0.037 0.000 1.042 126 V CA -0.688 61.556 62.300 -0.092 0.000 0.872 126 V CB 1.685 33.337 31.823 -0.285 0.000 0.998 126 V HN 0.618 nan 8.190 nan 0.000 0.423 127 V N 4.073 123.938 119.914 -0.082 0.000 2.334 127 V HA 0.444 4.447 4.120 -0.195 0.000 0.281 127 V C -0.205 175.785 176.094 -0.172 0.000 1.016 127 V CA -0.543 61.704 62.300 -0.088 0.000 0.832 127 V CB 1.636 33.378 31.823 -0.135 0.000 0.999 127 V HN 0.855 nan 8.190 nan 0.000 0.439 128 N N 5.374 123.965 118.700 -0.182 0.000 2.501 128 N HA 0.420 5.044 4.740 -0.195 0.000 0.245 128 N C -0.651 174.766 175.510 -0.155 0.000 0.974 128 N CA -0.379 52.556 53.050 -0.191 0.000 0.941 128 N CB 0.832 39.174 38.487 -0.241 0.000 1.122 128 N HN 0.603 nan 8.380 nan 0.000 0.507 129 I N 4.552 125.001 120.570 -0.202 0.000 2.322 129 I HA 0.220 4.273 4.170 -0.195 0.000 0.292 129 I C 0.235 176.259 176.117 -0.155 0.000 1.060 129 I CA -0.351 60.811 61.300 -0.229 0.000 1.309 129 I CB 0.500 38.225 38.000 -0.457 0.000 1.415 129 I HN 0.329 nan 8.210 nan 0.000 0.492 130 I N 6.097 126.606 120.570 -0.101 0.000 2.315 130 I HA 0.100 4.153 4.170 -0.195 0.000 0.291 130 I C 1.353 177.427 176.117 -0.071 0.000 1.006 130 I CA -0.135 61.128 61.300 -0.062 0.000 1.265 130 I CB 1.507 39.478 38.000 -0.047 0.000 1.387 130 I HN 0.614 nan 8.210 nan 0.000 0.475 131 T N -0.367 114.154 114.554 -0.053 0.000 3.107 131 T HA 0.051 4.284 4.350 -0.195 0.000 0.249 131 T C 0.695 175.298 174.700 -0.163 0.000 1.096 131 T CA -0.147 61.880 62.100 -0.122 0.000 1.012 131 T CB -0.416 68.387 68.868 -0.109 0.000 0.977 131 T HN 0.647 nan 8.240 nan 0.000 0.527 132 T N -0.482 114.027 114.554 -0.075 0.000 2.855 132 T HA 0.729 4.963 4.350 -0.195 0.000 0.281 132 T C -0.661 173.997 174.700 -0.070 0.000 1.007 132 T CA -1.028 61.043 62.100 -0.048 0.000 1.009 132 T CB 2.708 71.561 68.868 -0.024 0.000 0.983 132 T HN 0.295 nan 8.240 nan 0.000 0.455 133 R N 0.395 120.854 120.500 -0.068 0.000 2.836 133 R HA 0.450 4.673 4.340 -0.195 0.000 0.269 133 R C -1.689 174.581 176.300 -0.049 0.000 1.010 133 R CA -0.712 55.349 56.100 -0.064 0.000 0.930 133 R CB 1.787 32.037 30.300 -0.083 0.000 1.218 133 R HN 0.732 nan 8.270 nan 0.000 0.473 134 D N 1.784 122.156 120.400 -0.046 0.000 2.477 134 D HA 0.170 4.693 4.640 -0.195 0.000 0.239 134 D C -1.402 174.869 176.300 -0.048 0.000 1.102 134 D CA -0.061 53.913 54.000 -0.043 0.000 0.901 134 D CB 0.989 41.767 40.800 -0.037 0.000 1.026 134 D HN 0.385 nan 8.370 nan 0.000 0.515 135 E N 3.535 123.703 120.200 -0.054 0.000 2.759 135 E HA 0.333 4.566 4.350 -0.195 0.000 0.318 135 E C -2.762 173.799 176.600 -0.066 0.000 1.093 135 E CA -1.693 54.670 56.400 -0.061 0.000 0.762 135 E CB 1.089 30.746 29.700 -0.072 0.000 1.543 135 E HN 0.156 nan 8.360 nan 0.000 0.381 136 P HA 0.466 nan 4.420 nan 0.000 0.267 136 P C 0.093 177.342 177.300 -0.086 0.000 1.200 136 P CA 0.653 63.715 63.100 -0.063 0.000 0.772 136 P CB 0.974 32.645 31.700 -0.049 0.000 0.855 137 G N 0.598 109.331 108.800 -0.111 0.000 2.384 137 G HA2 0.138 3.981 3.960 -0.195 0.000 0.668 137 G HA3 0.138 3.981 3.960 -0.195 0.000 0.668 137 G C -1.331 173.413 174.900 -0.260 0.000 1.280 137 G CA -0.797 44.197 45.100 -0.178 0.000 0.992 137 G HN 0.552 nan 8.290 nan 0.000 0.512 138 T N -0.046 114.240 114.554 -0.448 0.000 2.876 138 T HA 0.683 4.916 4.350 -0.195 0.000 0.289 138 T C -1.014 173.423 174.700 -0.439 0.000 1.014 138 T CA -0.055 61.705 62.100 -0.566 0.000 0.986 138 T CB 2.122 70.319 68.868 -1.118 0.000 1.021 138 T HN 0.932 nan 8.240 nan 0.000 0.458 139 E N 2.479 122.543 120.200 -0.226 0.000 2.246 139 E HA 0.593 4.826 4.350 -0.195 0.000 0.266 139 E C -1.458 175.155 176.600 0.021 0.000 0.880 139 E CA -0.787 55.565 56.400 -0.080 0.000 0.762 139 E CB 1.467 31.132 29.700 -0.057 0.000 1.180 139 E HN 0.691 nan 8.360 nan 0.000 0.416 140 I N 3.774 124.432 120.570 0.147 0.000 2.378 140 I HA 0.654 4.707 4.170 -0.195 0.000 0.291 140 I C -0.627 175.594 176.117 0.174 0.000 0.992 140 I CA -0.136 61.275 61.300 0.185 0.000 1.154 140 I CB 1.263 39.425 38.000 0.270 0.000 1.315 140 I HN 0.738 nan 8.210 nan 0.000 0.448 141 S N 5.712 121.491 115.700 0.132 0.000 2.588 141 S HA 0.976 5.329 4.470 -0.195 0.000 0.275 141 S C -0.911 173.756 174.600 0.113 0.000 1.130 141 S CA -0.724 57.544 58.200 0.112 0.000 0.855 141 S CB 2.087 65.328 63.200 0.068 0.000 1.116 141 S HN 0.945 nan 8.310 nan 0.000 0.472 142 A N 0.163 123.033 122.820 0.084 0.000 2.589 142 A HA 0.975 5.178 4.320 -0.195 0.000 0.296 142 A C -0.303 177.252 177.584 -0.049 0.000 1.062 142 A CA -0.298 51.763 52.037 0.040 0.000 0.686 142 A CB 1.259 20.389 19.000 0.217 0.000 1.282 142 A HN 2.026 nan 8.150 nan 0.000 0.404 143 G N 0.177 108.783 108.800 -0.323 0.000 2.667 143 G HA2 0.623 4.466 3.960 -0.195 0.000 0.294 143 G HA3 0.623 4.466 3.960 -0.195 0.000 0.294 143 G C -1.621 172.958 174.900 -0.536 0.000 1.467 143 G CA -0.434 44.553 45.100 -0.188 0.000 0.852 143 G HN 0.745 nan 8.290 nan 0.000 0.521 144 W N 0.351 121.710 121.300 0.099 0.000 3.127 144 W HA 0.707 5.250 4.660 -0.194 0.000 0.330 144 W C 0.105 176.775 176.519 0.253 0.000 1.187 144 W CA -0.754 56.661 57.345 0.116 0.000 1.198 144 W CB 2.601 32.094 29.460 0.055 0.000 1.408 144 W HN 1.039 nan 8.180 nan 0.000 0.529 145 G N 0.376 109.429 108.800 0.420 0.000 2.749 145 G HA2 0.440 4.284 3.960 -0.195 0.000 0.300 145 G HA3 0.440 4.284 3.960 -0.195 0.000 0.300 145 G C -0.998 174.046 174.900 0.240 0.000 1.352 145 G CA -0.693 44.585 45.100 0.298 0.000 0.789 145 G HN 0.219 nan 8.290 nan 0.000 0.509 146 S N 0.585 116.405 115.700 0.200 0.000 2.550 146 S HA 0.149 4.503 4.470 -0.195 0.000 0.285 146 S C 0.612 175.306 174.600 0.156 0.000 1.326 146 S CA 0.587 58.893 58.200 0.178 0.000 1.037 146 S CB 0.130 63.425 63.200 0.158 0.000 0.838 146 S HN 0.728 nan 8.310 nan 0.000 0.519 147 N N 0.572 119.357 118.700 0.142 0.000 2.754 147 N HA -0.173 4.450 4.740 -0.195 0.000 0.248 147 N C 0.110 175.648 175.510 0.047 0.000 1.093 147 N CA 0.953 54.085 53.050 0.138 0.000 0.699 147 N CB -1.897 36.693 38.487 0.172 0.000 1.016 147 N HN 0.692 nan 8.380 nan 0.000 0.552 148 S N -2.463 113.244 115.700 0.010 0.000 3.521 148 S HA -0.304 4.049 4.470 -0.195 0.000 0.328 148 S C 0.197 174.735 174.600 -0.103 0.000 1.165 148 S CA 1.017 59.140 58.200 -0.129 0.000 0.941 148 S CB -1.622 61.215 63.200 -0.604 0.000 0.951 148 S HN 0.637 nan 8.310 nan 0.000 0.539 149 Y N 2.518 122.762 120.300 -0.094 0.000 2.811 149 Y HA 0.299 4.732 4.550 -0.194 0.000 0.334 149 Y C 0.467 176.313 175.900 -0.089 0.000 1.247 149 Y CA 0.759 58.800 58.100 -0.098 0.000 1.526 149 Y CB 0.381 38.812 38.460 -0.049 0.000 1.284 149 Y HN 0.397 nan 8.280 nan 0.000 0.586 150 Q N 5.222 124.426 119.800 -0.994 0.000 2.353 150 Q HA 0.288 4.511 4.340 -0.195 0.000 0.275 150 Q C -1.691 173.656 176.000 -1.088 0.000 1.029 150 Q CA -1.045 54.195 55.803 -0.939 0.000 0.848 150 Q CB 2.400 30.901 28.738 -0.396 0.000 1.390 150 Q HN 0.833 nan 8.270 nan 0.000 0.401 151 N N 1.552 119.573 118.700 -1.132 0.000 2.324 151 N HA 0.444 5.067 4.740 -0.195 0.000 0.285 151 N C -2.014 172.983 175.510 -0.855 0.000 1.076 151 N CA -0.174 52.438 53.050 -0.729 0.000 0.864 151 N CB 1.700 39.940 38.487 -0.413 0.000 1.632 151 N HN 0.438 nan 8.380 nan 0.000 0.478 152 Y N 0.784 121.078 120.300 -0.011 0.000 2.396 152 Y HA 0.409 4.842 4.550 -0.194 0.000 0.332 152 Y C -0.649 175.267 175.900 0.027 0.000 1.034 152 Y CA -0.920 57.181 58.100 0.001 0.000 1.057 152 Y CB 1.791 40.248 38.460 -0.004 0.000 1.220 152 Y HN 0.380 nan 8.280 nan 0.000 0.440 153 D N 2.228 122.723 120.400 0.159 0.000 2.934 153 D HA 0.650 5.173 4.640 -0.195 0.000 0.230 153 D C -1.851 174.501 176.300 0.086 0.000 1.204 153 D CA -0.301 53.754 54.000 0.092 0.000 0.873 153 D CB 2.734 43.557 40.800 0.039 0.000 1.645 153 D HN 0.349 nan 8.370 nan 0.000 0.502 154 V N 2.095 122.047 119.914 0.065 0.000 2.709 154 V HA 0.640 4.644 4.120 -0.195 0.000 0.308 154 V C -0.186 175.919 176.094 0.018 0.000 1.062 154 V CA -0.655 61.675 62.300 0.049 0.000 0.901 154 V CB 1.690 33.550 31.823 0.061 0.000 1.003 154 V HN 0.671 nan 8.190 nan 0.000 0.425 155 S N 1.957 117.649 115.700 -0.014 0.000 2.541 155 S HA 0.867 5.220 4.470 -0.195 0.000 0.271 155 S C -0.857 173.699 174.600 -0.073 0.000 1.133 155 S CA -0.646 57.534 58.200 -0.033 0.000 0.876 155 S CB 2.382 65.549 63.200 -0.055 0.000 1.105 155 S HN 0.846 nan 8.310 nan 0.000 0.470 156 T N 0.855 115.375 114.554 -0.057 0.000 2.923 156 T HA 0.592 4.826 4.350 -0.195 0.000 0.311 156 T C -2.074 172.598 174.700 -0.047 0.000 1.183 156 T CA -0.377 61.669 62.100 -0.089 0.000 1.020 156 T CB 1.936 70.751 68.868 -0.088 0.000 1.165 156 T HN 0.864 nan 8.240 nan 0.000 0.482 157 Q N 3.080 122.841 119.800 -0.065 0.000 2.274 157 Q HA 0.558 4.781 4.340 -0.195 0.000 0.268 157 Q C -1.645 174.331 176.000 -0.041 0.000 1.015 157 Q CA -0.706 55.077 55.803 -0.034 0.000 0.775 157 Q CB 1.241 29.959 28.738 -0.033 0.000 1.256 157 Q HN 0.510 nan 8.270 nan 0.000 0.442 158 Q N 1.821 121.608 119.800 -0.021 0.000 2.416 158 Q HA 0.342 4.566 4.340 -0.195 0.000 0.281 158 Q C -1.194 174.801 176.000 -0.008 0.000 1.067 158 Q CA -0.931 54.860 55.803 -0.020 0.000 0.809 158 Q CB 2.078 30.806 28.738 -0.016 0.000 1.418 158 Q HN 0.632 nan 8.270 nan 0.000 0.411 159 Q N 1.555 121.350 119.800 -0.009 0.000 2.296 159 Q HA 0.158 4.381 4.340 -0.195 0.000 0.262 159 Q C 0.387 176.391 176.000 0.005 0.000 0.981 159 Q CA -0.011 55.789 55.803 -0.005 0.000 0.905 159 Q CB 1.229 29.961 28.738 -0.009 0.000 1.186 159 Q HN 0.520 nan 8.270 nan 0.000 0.399 160 L N 1.645 122.875 121.223 0.012 0.000 2.556 160 L HA 0.338 4.561 4.340 -0.195 0.000 0.226 160 L C 0.508 177.391 176.870 0.021 0.000 1.089 160 L CA 0.837 55.688 54.840 0.019 0.000 0.864 160 L CB 0.575 42.648 42.059 0.024 0.000 1.067 160 L HN 0.663 nan 8.230 nan 0.000 0.477 161 G N -2.852 105.962 108.800 0.022 0.000 2.619 161 G HA2 0.334 4.177 3.960 -0.195 0.000 0.305 161 G HA3 0.334 4.177 3.960 -0.195 0.000 0.305 161 G C -0.152 174.753 174.900 0.008 0.000 1.330 161 G CA 0.211 45.325 45.100 0.022 0.000 0.789 161 G HN -0.151 nan 8.290 nan 0.000 0.487 162 D N -1.214 119.189 120.400 0.004 0.000 2.224 162 D HA 0.093 4.616 4.640 -0.195 0.000 0.205 162 D C 1.618 177.893 176.300 -0.042 0.000 0.965 162 D CA 1.845 55.837 54.000 -0.013 0.000 0.852 162 D CB -0.077 nan 40.800 nan 0.000 0.947 162 D HN 0.319 nan 8.370 nan 0.000 0.494 163 K N -0.309 120.056 120.400 -0.060 0.000 2.537 163 K HA 0.372 4.575 4.320 -0.195 0.000 0.206 163 K C -0.466 176.030 176.600 -0.173 0.000 1.041 163 K CA -0.037 56.153 56.287 -0.161 0.000 1.090 163 K CB 0.943 33.288 32.500 -0.258 0.000 0.833 163 K HN 0.480 nan 8.250 nan 0.000 0.493 164 T N 1.551 116.087 114.554 -0.031 0.000 2.928 164 T HA 0.456 4.689 4.350 -0.195 0.000 0.296 164 T C -0.909 173.801 174.700 0.017 0.000 1.000 164 T CA -0.696 61.431 62.100 0.046 0.000 0.989 164 T CB 1.829 70.767 68.868 0.118 0.000 1.005 164 T HN 0.295 nan 8.240 nan 0.000 0.442 165 R N 2.038 122.548 120.500 0.017 0.000 2.740 165 R HA 0.843 5.066 4.340 -0.195 0.000 0.282 165 R C -1.644 174.676 176.300 0.034 0.000 0.969 165 R CA -0.690 55.418 56.100 0.013 0.000 0.918 165 R CB 1.701 31.996 30.300 -0.008 0.000 1.175 165 R HN 0.452 nan 8.270 nan 0.000 0.464 166 V N 3.304 123.237 119.914 0.031 0.000 2.540 166 V HA 0.546 4.549 4.120 -0.195 0.000 0.302 166 V C -1.242 174.880 176.094 0.046 0.000 1.035 166 V CA -0.213 62.112 62.300 0.042 0.000 0.873 166 V CB 2.262 34.107 31.823 0.037 0.000 0.992 166 V HN 0.964 nan 8.190 nan 0.000 0.428 167 T N 8.155 122.756 114.554 0.078 0.000 2.792 167 T HA 0.660 4.893 4.350 -0.195 0.000 0.280 167 T C -0.650 174.147 174.700 0.161 0.000 0.990 167 T CA -0.334 61.837 62.100 0.118 0.000 0.960 167 T CB 1.159 70.145 68.868 0.198 0.000 0.939 167 T HN 0.522 nan 8.240 nan 0.000 0.439 168 L N 3.448 124.750 121.223 0.132 0.000 2.354 168 L HA 0.807 5.030 4.340 -0.195 0.000 0.269 168 L C -0.980 175.972 176.870 0.137 0.000 1.005 168 L CA -1.159 53.766 54.840 0.143 0.000 0.819 168 L CB 2.278 44.384 42.059 0.077 0.000 1.311 168 L HN 0.498 nan 8.230 nan 0.000 0.423 169 L N 0.994 122.316 121.223 0.165 0.000 2.513 169 L HA 0.848 5.071 4.340 -0.195 0.000 0.261 169 L C -1.058 175.868 176.870 0.093 0.000 0.945 169 L CA -0.083 54.810 54.840 0.089 0.000 0.848 169 L CB 2.233 44.296 42.059 0.007 0.000 1.334 169 L HN 0.633 nan 8.230 nan 0.000 0.407 170 G N 1.564 110.403 108.800 0.064 0.000 2.542 170 G HA2 0.556 4.399 3.960 -0.195 0.000 0.311 170 G HA3 0.556 4.399 3.960 -0.195 0.000 0.311 170 G C -2.177 172.760 174.900 0.063 0.000 1.298 170 G CA -0.330 44.812 45.100 0.070 0.000 0.973 170 G HN 0.683 nan 8.290 nan 0.000 0.487 171 D N -0.698 119.741 120.400 0.066 0.000 2.934 171 D HA 0.496 5.019 4.640 -0.195 0.000 0.230 171 D C -1.787 174.582 176.300 0.114 0.000 1.204 171 D CA -0.545 53.494 54.000 0.065 0.000 0.873 171 D CB 2.100 42.895 40.800 -0.010 0.000 1.645 171 D HN 0.353 nan 8.370 nan 0.000 0.502 172 Y N 2.769 123.069 120.300 -0.001 0.000 2.350 172 Y HA 0.692 5.126 4.550 -0.194 0.000 0.338 172 Y C -1.526 174.309 175.900 -0.108 0.000 0.961 172 Y CA -0.719 57.369 58.100 -0.020 0.000 1.100 172 Y CB 1.530 40.030 38.460 0.067 0.000 1.179 172 Y HN 0.494 nan 8.280 nan 0.000 0.454 173 A N 5.029 127.510 122.820 -0.565 0.000 2.374 173 A HA 0.632 4.836 4.320 -0.195 0.000 0.305 173 A C -2.144 175.037 177.584 -0.672 0.000 1.053 173 A CA -0.545 51.175 52.037 -0.529 0.000 0.726 173 A CB 0.864 19.700 19.000 -0.274 0.000 1.229 173 A HN 0.883 nan 8.150 nan 0.000 0.431 174 H N 0.353 119.059 119.070 -0.608 0.000 2.771 174 H HA 0.773 5.213 4.556 -0.194 0.000 0.361 174 H C -0.927 174.289 175.328 -0.187 0.000 1.108 174 H CA 0.287 56.101 56.048 -0.390 0.000 1.201 174 H CB 2.071 31.688 29.762 -0.242 0.000 1.681 174 H HN 0.703 nan 8.280 nan 0.000 0.534 175 T N 2.805 116.995 114.554 -0.607 0.000 2.909 175 T HA 0.223 4.456 4.350 -0.195 0.000 0.299 175 T C 0.460 174.893 174.700 -0.446 0.000 1.073 175 T CA -0.478 61.357 62.100 -0.443 0.000 0.999 175 T CB 0.842 69.717 68.868 0.010 0.000 1.098 175 T HN 0.877 nan 8.240 nan 0.000 0.477 176 H N 2.433 121.328 119.070 -0.291 0.000 2.495 176 H HA 0.246 4.686 4.556 -0.195 0.000 0.287 176 H C 1.647 176.943 175.328 -0.053 0.000 1.033 176 H CA 0.081 56.066 56.048 -0.105 0.000 1.307 176 H CB 0.082 29.846 29.762 0.003 0.000 1.401 176 H HN 1.022 nan 8.280 nan 0.000 0.555 177 G N 0.566 109.418 108.800 0.086 0.000 2.692 177 G HA2 -0.302 3.541 3.960 -0.195 0.000 0.248 177 G HA3 -0.302 3.541 3.960 -0.195 0.000 0.248 177 G C -0.547 174.394 174.900 0.068 0.000 1.340 177 G CA 0.214 45.315 45.100 0.003 0.000 0.896 177 G HN 0.558 nan 8.290 nan 0.000 0.570 178 Y N -2.139 118.182 120.300 0.035 0.000 2.665 178 Y HA 0.725 5.158 4.550 -0.195 0.000 0.336 178 Y C -0.204 175.701 175.900 0.008 0.000 1.085 178 Y CA -0.962 57.151 58.100 0.022 0.000 1.096 178 Y CB 1.121 39.587 38.460 0.011 0.000 1.301 178 Y HN 0.595 nan 8.280 nan 0.000 0.493 179 D N 1.171 121.673 120.400 0.170 0.000 2.346 179 D HA 0.108 4.631 4.640 -0.195 0.000 0.260 179 D C 1.066 177.433 176.300 0.111 0.000 1.252 179 D CA -0.045 53.996 54.000 0.070 0.000 0.895 179 D CB 1.530 42.369 40.800 0.066 0.000 1.097 179 D HN 0.691 nan 8.370 nan 0.000 0.489 180 V N 2.120 122.027 119.914 -0.012 0.000 3.141 180 V HA -0.099 3.904 4.120 -0.195 0.000 0.265 180 V C 1.840 177.924 176.094 -0.017 0.000 1.126 180 V CA 0.917 63.243 62.300 0.043 0.000 1.141 180 V CB -0.680 31.168 31.823 0.041 0.000 0.743 180 V HN 0.564 nan 8.190 nan 0.000 0.492 181 V N -0.482 119.401 119.914 -0.052 0.000 0.524 181 V HA -0.420 3.584 4.120 -0.195 0.000 0.092 181 V C 1.701 177.666 176.094 -0.216 0.000 2.204 181 V CA 2.240 64.480 62.300 -0.100 0.000 3.556 181 V CB -2.251 29.526 31.823 -0.078 0.000 0.846 181 V HN 2.353 nan 8.190 nan 0.000 0.884 182 A N -1.243 121.276 122.820 -0.502 0.000 2.739 182 A HA -0.263 3.941 4.320 -0.195 0.000 0.296 182 A C -0.051 177.247 177.584 -0.477 0.000 1.488 182 A CA 1.217 52.695 52.037 -0.932 0.000 0.746 182 A CB -2.109 16.604 19.000 -0.479 0.000 1.047 182 A HN 2.149 nan 8.150 nan 0.000 0.477 183 Y N 0.125 120.146 120.300 -0.465 0.000 2.721 183 Y HA 0.305 4.738 4.550 -0.195 0.000 0.329 183 Y C 1.497 177.297 175.900 -0.166 0.000 1.211 183 Y CA 1.467 59.403 58.100 -0.273 0.000 1.512 183 Y CB 0.125 38.422 38.460 -0.271 0.000 1.249 183 Y HN 1.916 nan 8.280 nan 0.000 0.549 184 G N 4.395 112.758 108.800 -0.727 0.000 2.159 184 G HA2 -0.314 3.530 3.960 -0.195 0.000 0.256 184 G HA3 -0.314 3.530 3.960 -0.195 0.000 0.256 184 G C 0.508 175.346 174.900 -0.103 0.000 0.977 184 G CA 0.378 45.226 45.100 -0.420 0.000 0.652 184 G HN 0.706 nan 8.290 nan 0.000 0.531 185 N N -0.458 118.176 118.700 -0.110 0.000 2.143 185 N HA 0.057 4.681 4.740 -0.195 0.000 0.222 185 N C 1.475 176.999 175.510 0.023 0.000 1.264 185 N CA 0.899 53.947 53.050 -0.003 0.000 0.897 185 N CB 0.746 39.241 38.487 0.013 0.000 1.092 185 N HN 0.559 nan 8.380 nan 0.000 0.516 186 T N -2.327 112.179 114.554 -0.080 0.000 3.134 186 T HA 0.396 4.629 4.350 -0.195 0.000 0.260 186 T C 1.230 175.763 174.700 -0.277 0.000 1.027 186 T CA 0.269 62.307 62.100 -0.104 0.000 0.913 186 T CB 0.798 69.611 68.868 -0.091 0.000 1.046 186 T HN 0.235 nan 8.240 nan 0.000 0.553 187 G N 2.560 111.075 108.800 -0.475 0.000 2.596 187 G HA2 -0.439 3.405 3.960 -0.195 0.000 0.304 187 G HA3 -0.439 3.405 3.960 -0.195 0.000 0.304 187 G C 1.211 175.860 174.900 -0.419 0.000 1.189 187 G CA 1.632 46.152 45.100 -0.967 0.000 0.986 187 G HN 1.112 nan 8.290 nan 0.000 0.548 188 T N -1.652 112.689 114.554 -0.355 0.000 3.067 188 T HA 0.381 4.614 4.350 -0.195 0.000 0.261 188 T C 0.864 175.560 174.700 -0.007 0.000 1.110 188 T CA 2.015 64.035 62.100 -0.132 0.000 1.113 188 T CB 0.267 69.059 68.868 -0.127 0.000 0.917 188 T HN 1.045 nan 8.240 nan 0.000 0.499 189 Q N -0.029 119.800 119.800 0.049 0.000 2.327 189 Q HA 0.613 4.837 4.340 -0.195 0.000 0.265 189 Q C -1.514 174.473 176.000 -0.022 0.000 0.993 189 Q CA -0.829 55.008 55.803 0.056 0.000 0.885 189 Q CB 1.993 30.821 28.738 0.149 0.000 1.379 189 Q HN 0.386 nan 8.270 nan 0.000 0.408 190 A N 2.928 125.723 122.820 -0.041 0.000 2.445 190 A HA 0.309 4.512 4.320 -0.195 0.000 0.242 190 A C -0.679 176.852 177.584 -0.087 0.000 1.075 190 A CA 0.087 52.091 52.037 -0.055 0.000 0.777 190 A CB 0.426 19.411 19.000 -0.026 0.000 1.013 190 A HN 0.736 nan 8.150 nan 0.000 0.493 191 Q N 0.791 120.538 119.800 -0.089 0.000 2.425 191 Q HA 0.329 4.552 4.340 -0.195 0.000 0.254 191 Q C 0.685 176.642 176.000 -0.071 0.000 1.032 191 Q CA 0.152 55.891 55.803 -0.106 0.000 0.798 191 Q CB 1.170 29.837 28.738 -0.118 0.000 1.210 191 Q HN 0.847 nan 8.270 nan 0.000 0.491 192 T N -2.655 111.862 114.554 -0.060 0.000 3.148 192 T HA -0.058 4.175 4.350 -0.195 0.000 0.253 192 T C 0.471 175.153 174.700 -0.031 0.000 1.134 192 T CA -0.314 61.764 62.100 -0.036 0.000 1.051 192 T CB -0.330 68.522 68.868 -0.027 0.000 0.959 192 T HN 0.583 nan 8.240 nan 0.000 0.525 193 D N 2.282 122.653 120.400 -0.047 0.000 2.548 193 D HA -0.087 4.437 4.640 -0.195 0.000 0.231 193 D C -0.209 176.069 176.300 -0.036 0.000 1.142 193 D CA -0.121 53.851 54.000 -0.047 0.000 0.866 193 D CB 0.189 40.950 40.800 -0.063 0.000 1.190 193 D HN 0.066 nan 8.370 nan 0.000 0.469 194 N N 2.072 120.755 118.700 -0.028 0.000 2.454 194 N HA 0.022 4.646 4.740 -0.195 0.000 0.260 194 N C -0.570 174.906 175.510 -0.056 0.000 1.218 194 N CA 0.313 53.348 53.050 -0.024 0.000 0.904 194 N CB 0.323 38.812 38.487 0.004 0.000 1.065 194 N HN 0.427 nan 8.380 nan 0.000 0.462 195 D N 1.235 121.577 120.400 -0.096 0.000 2.473 195 D HA 0.255 4.778 4.640 -0.195 0.000 0.226 195 D C 0.704 176.950 176.300 -0.091 0.000 1.089 195 D CA -0.251 53.690 54.000 -0.097 0.000 0.883 195 D CB 1.060 41.794 40.800 -0.111 0.000 1.029 195 D HN 0.470 nan 8.370 nan 0.000 0.517 196 G N 0.622 109.413 108.800 -0.015 0.000 2.537 196 G HA2 0.522 4.365 3.960 -0.195 0.000 0.297 196 G HA3 0.522 4.365 3.960 -0.195 0.000 0.297 196 G C -1.136 173.854 174.900 0.149 0.000 1.310 196 G CA -0.376 44.746 45.100 0.037 0.000 1.027 196 G HN 0.291 nan 8.290 nan 0.000 0.505 197 F N -0.396 119.512 119.950 -0.070 0.000 2.588 197 F HA 0.598 5.008 4.527 -0.194 0.000 0.318 197 F C -1.540 174.240 175.800 -0.032 0.000 1.155 197 F CA -1.314 56.658 58.000 -0.046 0.000 0.967 197 F CB 2.047 41.012 39.000 -0.059 0.000 1.236 197 F HN 0.394 nan 8.300 nan 0.000 0.455 198 L N 5.233 126.230 121.223 -0.376 0.000 2.356 198 L HA 0.778 5.001 4.340 -0.195 0.000 0.277 198 L C -1.186 175.258 176.870 -0.711 0.000 0.996 198 L CA -0.046 54.533 54.840 -0.435 0.000 0.822 198 L CB 1.765 43.760 42.059 -0.106 0.000 1.256 198 L HN 0.558 nan 8.230 nan 0.000 0.413 199 S N 4.596 119.850 115.700 -0.743 0.000 2.647 199 S HA 0.669 5.023 4.470 -0.195 0.000 0.300 199 S C -1.117 173.267 174.600 -0.359 0.000 1.129 199 S CA -0.690 57.170 58.200 -0.566 0.000 1.029 199 S CB 0.699 63.521 63.200 -0.629 0.000 1.007 199 S HN 0.660 nan 8.310 nan 0.000 0.484 200 K N 2.803 123.105 120.400 -0.164 0.000 2.292 200 K HA 0.633 4.836 4.320 -0.195 0.000 0.257 200 K C -0.989 175.635 176.600 0.041 0.000 0.940 200 K CA -0.736 55.536 56.287 -0.026 0.000 0.811 200 K CB 2.093 34.629 32.500 0.060 0.000 1.120 200 K HN 0.528 nan 8.250 nan 0.000 0.428 201 T N 2.140 116.725 114.554 0.050 0.000 2.893 201 T HA 0.575 4.809 4.350 -0.195 0.000 0.291 201 T C -1.365 173.395 174.700 0.100 0.000 1.028 201 T CA -0.722 61.428 62.100 0.084 0.000 0.995 201 T CB 1.381 70.245 68.868 -0.007 0.000 1.051 201 T HN 0.258 nan 8.240 nan 0.000 0.470 202 L N 2.401 123.707 121.223 0.139 0.000 2.445 202 L HA 0.749 4.972 4.340 -0.195 0.000 0.262 202 L C -1.878 175.119 176.870 0.211 0.000 0.974 202 L CA -0.725 54.199 54.840 0.141 0.000 0.822 202 L CB 2.090 44.215 42.059 0.108 0.000 1.339 202 L HN 0.813 nan 8.230 nan 0.000 0.409 203 Y N 2.509 122.834 120.300 0.041 0.000 2.482 203 Y HA 0.737 5.171 4.550 -0.195 0.000 0.334 203 Y C -0.624 175.298 175.900 0.036 0.000 1.091 203 Y CA -0.474 57.655 58.100 0.050 0.000 1.027 203 Y CB 2.265 40.721 38.460 -0.007 0.000 1.306 203 Y HN 0.646 nan 8.280 nan 0.000 0.446 204 G N 2.687 111.249 108.800 -0.396 0.000 2.682 204 G HA2 0.779 4.622 3.960 -0.195 0.000 0.300 204 G HA3 0.779 4.622 3.960 -0.195 0.000 0.300 204 G C -2.046 172.586 174.900 -0.446 0.000 1.391 204 G CA -0.421 44.525 45.100 -0.256 0.000 0.990 204 G HN 1.003 nan 8.290 nan 0.000 0.501 205 A N 0.713 123.416 122.820 -0.195 0.000 2.539 205 A HA 0.851 5.054 4.320 -0.195 0.000 0.296 205 A C -1.842 175.773 177.584 0.052 0.000 1.073 205 A CA -0.672 51.324 52.037 -0.068 0.000 0.700 205 A CB 2.200 21.196 19.000 -0.006 0.000 1.296 205 A HN 1.429 nan 8.150 nan 0.000 0.405 206 L N 0.783 122.069 121.223 0.104 0.000 2.441 206 L HA 0.758 4.981 4.340 -0.195 0.000 0.270 206 L C -0.072 176.891 176.870 0.156 0.000 0.973 206 L CA 0.441 55.344 54.840 0.106 0.000 0.842 206 L CB 1.518 43.630 42.059 0.088 0.000 1.239 206 L HN 1.050 nan 8.230 nan 0.000 0.406 207 E N 2.356 122.632 120.200 0.127 0.000 2.212 207 E HA 0.675 4.909 4.350 -0.195 0.000 0.268 207 E C -1.739 174.919 176.600 0.096 0.000 0.902 207 E CA -0.653 55.834 56.400 0.145 0.000 0.779 207 E CB 1.809 31.569 29.700 0.100 0.000 1.172 207 E HN 0.810 nan 8.360 nan 0.000 0.409 208 H N 1.233 120.260 119.070 -0.072 0.000 2.966 208 H HA 0.420 4.859 4.556 -0.194 0.000 0.347 208 H C -1.311 173.846 175.328 -0.286 0.000 1.048 208 H CA -0.747 55.166 56.048 -0.225 0.000 1.295 208 H CB 1.239 30.776 29.762 -0.375 0.000 1.744 208 H HN 0.415 nan 8.280 nan 0.000 0.513 209 N N 5.578 123.853 118.700 -0.708 0.000 2.420 209 N HA 0.075 4.698 4.740 -0.195 0.000 0.249 209 N C 0.172 175.311 175.510 -0.619 0.000 1.033 209 N CA -0.036 52.738 53.050 -0.460 0.000 0.944 209 N CB 0.361 38.678 38.487 -0.282 0.000 1.113 209 N HN 0.531 nan 8.380 nan 0.000 0.502 210 F N 0.280 120.195 119.950 -0.058 0.000 2.206 210 F HA -0.079 4.332 4.527 -0.195 0.000 0.298 210 F C 1.820 177.675 175.800 0.093 0.000 1.090 210 F CA 0.647 58.705 58.000 0.098 0.000 1.323 210 F CB 0.028 39.152 39.000 0.206 0.000 1.028 210 F HN 0.328 nan 8.300 nan 0.000 0.492 211 T N -4.913 109.841 114.554 0.334 0.000 2.669 211 T HA 0.437 4.670 4.350 -0.195 0.000 0.283 211 T C 0.864 175.665 174.700 0.169 0.000 1.019 211 T CA -0.052 62.195 62.100 0.244 0.000 1.039 211 T CB 0.479 69.547 68.868 0.334 0.000 1.374 211 T HN -0.050 nan 8.240 nan 0.000 0.523 212 D N -0.188 120.301 120.400 0.148 0.000 2.178 212 D HA 0.172 4.695 4.640 -0.195 0.000 0.201 212 D C 2.102 178.493 176.300 0.151 0.000 0.980 212 D CA 1.753 55.829 54.000 0.127 0.000 0.842 212 D CB -0.694 40.183 40.800 0.129 0.000 0.948 212 D HN 0.852 nan 8.370 nan 0.000 0.472 213 A N -1.180 121.710 122.820 0.116 0.000 1.943 213 A HA 0.393 4.596 4.320 -0.195 0.000 0.213 213 A C 0.537 178.038 177.584 -0.139 0.000 1.181 213 A CA 0.129 52.092 52.037 -0.123 0.000 0.653 213 A CB -0.062 18.803 19.000 -0.224 0.000 0.833 213 A HN 0.528 nan 8.150 nan 0.000 0.451 214 W N 1.041 122.445 121.300 0.172 0.000 2.349 214 W HA 0.542 5.087 4.660 -0.193 0.000 0.309 214 W C -0.011 176.706 176.519 0.330 0.000 1.083 214 W CA -0.109 57.408 57.345 0.286 0.000 1.224 214 W CB 1.487 31.138 29.460 0.318 0.000 1.256 214 W HN 0.253 nan 8.180 nan 0.000 0.461 215 S N 2.092 118.123 115.700 0.553 0.000 2.599 215 S HA 0.972 5.326 4.470 -0.195 0.000 0.287 215 S C -0.473 174.449 174.600 0.535 0.000 1.105 215 S CA -1.080 57.371 58.200 0.419 0.000 0.899 215 S CB 2.116 65.439 63.200 0.206 0.000 1.100 215 S HN 0.620 nan 8.310 nan 0.000 0.482 216 G N 0.387 109.427 108.800 0.401 0.000 2.620 216 G HA2 0.745 4.589 3.960 -0.195 0.000 0.301 216 G HA3 0.745 4.589 3.960 -0.195 0.000 0.301 216 G C -1.290 173.786 174.900 0.293 0.000 1.347 216 G CA -0.983 44.342 45.100 0.376 0.000 0.971 216 G HN 1.016 nan 8.290 nan 0.000 0.488 217 F N 0.015 120.073 119.950 0.179 0.000 2.626 217 F HA 0.838 5.248 4.527 -0.195 0.000 0.311 217 F C -0.800 175.080 175.800 0.135 0.000 1.088 217 F CA -1.600 56.479 58.000 0.132 0.000 0.949 217 F CB 2.143 41.216 39.000 0.123 0.000 1.322 217 F HN 0.645 nan 8.300 nan 0.000 0.461 218 V N 0.234 120.331 119.914 0.305 0.000 2.808 218 V HA 0.835 4.838 4.120 -0.195 0.000 0.308 218 V C -1.001 175.269 176.094 0.294 0.000 1.099 218 V CA -0.945 61.506 62.300 0.252 0.000 0.920 218 V CB 1.932 33.848 31.823 0.155 0.000 1.014 218 V HN 1.083 nan 8.190 nan 0.000 0.425 219 R N 2.007 122.684 120.500 0.295 0.000 2.698 219 R HA 0.853 5.077 4.340 -0.195 0.000 0.275 219 R C -0.492 175.816 176.300 0.013 0.000 1.001 219 R CA -0.479 55.685 56.100 0.106 0.000 0.896 219 R CB 2.722 33.092 30.300 0.117 0.000 1.218 219 R HN 1.223 nan 8.270 nan 0.000 0.462 220 G N 1.562 110.175 108.800 -0.312 0.000 2.719 220 G HA2 0.622 4.465 3.960 -0.195 0.000 0.298 220 G HA3 0.622 4.465 3.960 -0.195 0.000 0.298 220 G C -1.774 172.730 174.900 -0.660 0.000 1.411 220 G CA -0.541 44.016 45.100 -0.905 0.000 0.991 220 G HN 0.564 nan 8.290 nan 0.000 0.509 221 Y N -0.711 119.175 120.300 -0.690 0.000 2.656 221 Y HA 0.868 5.301 4.550 -0.195 0.000 0.334 221 Y C -0.049 175.693 175.900 -0.263 0.000 1.179 221 Y CA -1.085 56.825 58.100 -0.317 0.000 1.050 221 Y CB 1.389 39.861 38.460 0.020 0.000 1.308 221 Y HN 1.088 nan 8.280 nan 0.000 0.456 222 G N 0.424 109.285 108.800 0.102 0.000 2.660 222 G HA2 0.595 4.438 3.960 -0.195 0.000 0.290 222 G HA3 0.595 4.438 3.960 -0.195 0.000 0.290 222 G C -2.390 172.610 174.900 0.166 0.000 1.432 222 G CA -0.838 44.265 45.100 0.004 0.000 0.807 222 G HN 1.164 nan 8.290 nan 0.000 0.485 223 Y N -1.194 119.130 120.300 0.040 0.000 2.625 223 Y HA 0.817 5.250 4.550 -0.195 0.000 0.338 223 Y C -1.566 174.332 175.900 -0.003 0.000 1.123 223 Y CA -1.750 56.345 58.100 -0.008 0.000 1.046 223 Y CB 2.351 40.761 38.460 -0.084 0.000 1.299 223 Y HN 0.510 nan 8.280 nan 0.000 0.464 224 D N 1.254 121.717 120.400 0.105 0.000 2.575 224 D HA 0.325 4.849 4.640 -0.195 0.000 0.250 224 D C -1.848 174.399 176.300 -0.087 0.000 1.279 224 D CA -0.405 53.551 54.000 -0.073 0.000 0.925 224 D CB 0.946 41.746 40.800 0.000 0.000 1.261 224 D HN 0.661 nan 8.370 nan 0.000 0.567 225 N N 2.452 121.092 118.700 -0.100 0.000 2.314 225 N HA 0.388 5.011 4.740 -0.195 0.000 0.294 225 N C -0.826 174.648 175.510 -0.059 0.000 1.029 225 N CA -0.522 52.484 53.050 -0.072 0.000 0.845 225 N CB 2.385 40.967 38.487 0.159 0.000 1.321 225 N HN 0.337 nan 8.380 nan 0.000 0.481 226 R N 1.222 121.685 120.500 -0.061 0.000 2.437 226 R HA 0.528 4.752 4.340 -0.195 0.000 0.310 226 R C -1.207 175.188 176.300 0.160 0.000 0.955 226 R CA -0.259 55.861 56.100 0.034 0.000 0.851 226 R CB 0.848 31.149 30.300 0.001 0.000 1.161 226 R HN 0.542 nan 8.270 nan 0.000 0.446 227 T N 3.193 117.877 114.554 0.216 0.000 2.841 227 T HA 0.388 4.621 4.350 -0.195 0.000 0.283 227 T C -0.551 174.219 174.700 0.118 0.000 1.000 227 T CA -0.894 61.360 62.100 0.257 0.000 0.977 227 T CB 1.393 70.412 68.868 0.251 0.000 0.979 227 T HN 0.435 nan 8.240 nan 0.000 0.446 228 N N 1.983 120.720 118.700 0.061 0.000 2.443 228 N HA 0.603 5.226 4.740 -0.195 0.000 0.295 228 N C -0.764 174.750 175.510 0.008 0.000 1.076 228 N CA -0.538 52.469 53.050 -0.072 0.000 0.919 228 N CB 1.318 39.753 38.487 -0.087 0.000 1.176 228 N HN 0.788 nan 8.380 nan 0.000 0.487 229 Y N -1.782 118.484 120.300 -0.056 0.000 2.889 229 Y HA 0.629 5.063 4.550 -0.194 0.000 0.317 229 Y C -1.294 174.586 175.900 -0.034 0.000 1.414 229 Y CA -1.219 56.855 58.100 -0.042 0.000 1.091 229 Y CB 0.908 39.354 38.460 -0.023 0.000 1.358 229 Y HN 0.119 nan 8.280 nan 0.000 0.487 230 D N 0.417 120.949 120.400 0.219 0.000 2.350 230 D HA 0.732 5.255 4.640 -0.195 0.000 0.245 230 D C -0.953 175.482 176.300 0.224 0.000 1.036 230 D CA -0.213 53.844 54.000 0.096 0.000 0.848 230 D CB 1.936 42.751 40.800 0.024 0.000 1.307 230 D HN 0.947 nan 8.370 nan 0.000 0.469 231 A N 1.083 123.984 122.820 0.135 0.000 2.564 231 A HA 0.439 4.642 4.320 -0.195 0.000 0.288 231 A C -1.394 176.293 177.584 0.171 0.000 1.164 231 A CA -0.796 51.364 52.037 0.205 0.000 0.712 231 A CB 0.582 19.745 19.000 0.272 0.000 1.303 231 A HN 0.491 nan 8.150 nan 0.000 0.418 232 Y N 0.882 121.240 120.300 0.097 0.000 2.815 232 Y HA 0.171 4.604 4.550 -0.195 0.000 0.346 232 Y C -0.587 175.395 175.900 0.137 0.000 1.267 232 Y CA 1.341 59.493 58.100 0.087 0.000 1.604 232 Y CB -0.160 38.332 38.460 0.054 0.000 1.218 232 Y HN 0.545 nan 8.280 nan 0.000 0.527 233 Y N 5.262 125.365 120.300 -0.328 0.000 2.335 233 Y HA 0.459 4.892 4.550 -0.195 0.000 0.339 233 Y C -0.715 175.074 175.900 -0.186 0.000 0.987 233 Y CA -1.044 56.957 58.100 -0.165 0.000 1.140 233 Y CB 0.813 39.191 38.460 -0.137 0.000 1.173 233 Y HN 0.535 nan 8.280 nan 0.000 0.486 234 S N 8.753 124.130 115.700 -0.538 0.000 2.478 234 S HA 0.436 4.789 4.470 -0.195 0.000 0.312 234 S C -2.895 171.258 174.600 -0.745 0.000 1.094 234 S CA -1.520 56.396 58.200 -0.473 0.000 1.081 234 S CB 1.410 64.576 63.200 -0.058 0.000 1.007 234 S HN 0.501 nan 8.310 nan 0.000 0.475 235 P HA 0.241 nan 4.420 nan 0.000 0.268 235 P C 0.928 178.138 177.300 -0.150 0.000 1.204 235 P CA 0.630 63.487 63.100 -0.404 0.000 0.768 235 P CB 0.423 32.015 31.700 -0.180 0.000 0.842 236 G N 1.502 110.287 108.800 -0.025 0.000 2.176 236 G HA2 -0.194 3.650 3.960 -0.195 0.000 0.253 236 G HA3 -0.194 3.650 3.960 -0.195 0.000 0.253 236 G C 0.202 175.146 174.900 0.074 0.000 0.979 236 G CA 0.082 45.208 45.100 0.044 0.000 0.641 236 G HN 0.654 nan 8.290 nan 0.000 0.530 237 S N 0.973 116.692 115.700 0.032 0.000 2.607 237 S HA 0.729 5.082 4.470 -0.195 0.000 0.303 237 S C -2.518 172.080 174.600 -0.003 0.000 1.086 237 S CA -1.048 57.156 58.200 0.008 0.000 0.995 237 S CB 2.273 65.457 63.200 -0.028 0.000 1.084 237 S HN 0.170 nan 8.310 nan 0.000 0.507 238 P HA 0.169 nan 4.420 nan 0.000 0.265 238 P C -1.128 176.160 177.300 -0.020 0.000 1.193 238 P CA -0.374 62.515 63.100 -0.351 0.000 0.765 238 P CB 0.226 31.564 31.700 -0.603 0.000 0.823 239 L N 4.726 126.002 121.223 0.089 0.000 2.301 239 L HA 0.330 4.554 4.340 -0.195 0.000 0.278 239 L C -1.181 175.722 176.870 0.055 0.000 1.022 239 L CA -0.553 54.372 54.840 0.142 0.000 0.854 239 L CB 0.223 42.402 42.059 0.200 0.000 1.226 239 L HN 0.096 nan 8.230 nan 0.000 0.429 240 L N 5.471 126.723 121.223 0.048 0.000 2.295 240 L HA 0.366 4.589 4.340 -0.195 0.000 0.288 240 L C 0.659 177.474 176.870 -0.093 0.000 1.079 240 L CA 0.562 55.407 54.840 0.008 0.000 0.830 240 L CB 0.657 42.777 42.059 0.100 0.000 1.200 240 L HN 0.584 nan 8.230 nan 0.000 0.438 241 D N 0.016 120.185 120.400 -0.384 0.000 2.502 241 D HA 0.163 4.686 4.640 -0.195 0.000 0.232 241 D C -0.344 175.298 176.300 -1.095 0.000 1.137 241 D CA 0.474 54.049 54.000 -0.708 0.000 0.827 241 D CB 0.944 41.525 40.800 -0.364 0.000 1.141 241 D HN 0.460 nan 8.370 nan 0.000 0.517 242 T N -0.364 113.686 114.554 -0.840 0.000 2.916 242 T HA 0.490 4.724 4.350 -0.195 0.000 0.305 242 T C -0.742 173.762 174.700 -0.328 0.000 1.119 242 T CA -0.793 60.946 62.100 -0.603 0.000 1.008 242 T CB 2.937 71.388 68.868 -0.695 0.000 1.129 242 T HN -0.165 nan 8.240 nan 0.000 0.480 243 R N 1.164 121.671 120.500 0.012 0.000 2.621 243 R HA 0.674 4.897 4.340 -0.195 0.000 0.292 243 R C -1.527 174.894 176.300 0.201 0.000 0.969 243 R CA -0.900 55.327 56.100 0.211 0.000 0.887 243 R CB 1.180 31.650 30.300 0.283 0.000 1.180 243 R HN 0.435 nan 8.270 nan 0.000 0.450 244 K N 4.527 125.095 120.400 0.279 0.000 2.502 244 K HA 0.330 4.534 4.320 -0.195 0.000 0.254 244 K C -1.925 174.738 176.600 0.105 0.000 0.947 244 K CA -0.652 55.708 56.287 0.122 0.000 0.834 244 K CB 1.259 33.811 32.500 0.087 0.000 1.112 244 K HN 0.448 nan 8.250 nan 0.000 0.427 245 L N 5.227 126.414 121.223 -0.060 0.000 2.333 245 L HA 0.582 4.806 4.340 -0.195 0.000 0.280 245 L C -1.827 174.908 176.870 -0.224 0.000 1.004 245 L CA -0.340 54.487 54.840 -0.022 0.000 0.820 245 L CB 0.823 42.928 42.059 0.077 0.000 1.247 245 L HN 0.627 nan 8.230 nan 0.000 0.416 246 Y N 3.077 123.379 120.300 0.003 0.000 2.393 246 Y HA 0.721 5.154 4.550 -0.195 0.000 0.341 246 Y C 0.156 175.901 175.900 -0.259 0.000 0.988 246 Y CA -0.453 57.583 58.100 -0.107 0.000 1.078 246 Y CB 2.338 40.757 38.460 -0.068 0.000 1.203 246 Y HN 0.624 nan 8.280 nan 0.000 0.453 247 S N 3.178 118.691 115.700 -0.310 0.000 2.548 247 S HA 0.598 4.951 4.470 -0.195 0.000 0.276 247 S C -1.680 172.651 174.600 -0.448 0.000 1.129 247 S CA -0.725 57.190 58.200 -0.475 0.000 0.931 247 S CB 1.024 63.783 63.200 -0.734 0.000 1.068 247 S HN 0.705 nan 8.310 nan 0.000 0.480 248 Q N 1.822 121.431 119.800 -0.318 0.000 2.315 248 Q HA 0.787 5.011 4.340 -0.195 0.000 0.273 248 Q C -1.598 174.161 176.000 -0.403 0.000 1.053 248 Q CA -0.928 54.678 55.803 -0.328 0.000 0.817 248 Q CB 1.894 30.575 28.738 -0.096 0.000 1.326 248 Q HN 0.441 nan 8.270 nan 0.000 0.423 249 S N 1.471 116.707 115.700 -0.773 0.000 2.536 249 S HA 0.720 5.073 4.470 -0.195 0.000 0.287 249 S C -1.590 172.521 174.600 -0.815 0.000 1.101 249 S CA -0.708 57.086 58.200 -0.676 0.000 0.950 249 S CB 0.733 63.531 63.200 -0.669 0.000 1.056 249 S HN 0.597 nan 8.310 nan 0.000 0.481 250 W N 0.984 122.242 121.300 -0.070 0.000 2.957 250 W HA 0.586 5.129 4.660 -0.195 0.000 0.336 250 W C -1.031 175.565 176.519 0.127 0.000 1.087 250 W CA -0.289 57.086 57.345 0.049 0.000 1.235 250 W CB 1.540 31.077 29.460 0.128 0.000 1.399 250 W HN 0.455 nan 8.180 nan 0.000 0.480 251 D N 1.388 122.006 120.400 0.363 0.000 2.645 251 D HA 0.804 5.327 4.640 -0.195 0.000 0.228 251 D C -1.102 175.386 176.300 0.313 0.000 1.148 251 D CA -0.615 53.607 54.000 0.369 0.000 0.860 251 D CB 2.087 43.181 40.800 0.491 0.000 1.548 251 D HN 0.396 nan 8.370 nan 0.000 0.460 252 A N 0.201 123.097 122.820 0.126 0.000 2.574 252 A HA 0.898 5.101 4.320 -0.195 0.000 0.297 252 A C -0.600 176.658 177.584 -0.543 0.000 1.062 252 A CA -0.349 51.560 52.037 -0.214 0.000 0.686 252 A CB 2.021 20.986 19.000 -0.060 0.000 1.285 252 A HN 0.637 nan 8.150 nan 0.000 0.403 253 G N -0.208 107.953 108.800 -1.065 0.000 2.673 253 G HA2 0.591 4.434 3.960 -0.195 0.000 0.292 253 G HA3 0.591 4.434 3.960 -0.195 0.000 0.292 253 G C -2.010 172.680 174.900 -0.350 0.000 1.450 253 G CA -0.518 44.118 45.100 -0.774 0.000 0.837 253 G HN 0.811 nan 8.290 nan 0.000 0.505 254 L N 0.521 121.746 121.223 0.005 0.000 2.386 254 L HA 0.684 4.908 4.340 -0.195 0.000 0.271 254 L C -0.271 176.778 176.870 0.300 0.000 0.993 254 L CA -0.903 54.067 54.840 0.217 0.000 0.819 254 L CB 2.281 44.466 42.059 0.209 0.000 1.294 254 L HN 0.482 nan 8.230 nan 0.000 0.414 255 R N 2.756 123.474 120.500 0.363 0.000 2.561 255 R HA 0.355 4.579 4.340 -0.195 0.000 0.297 255 R C -1.618 174.757 176.300 0.125 0.000 0.969 255 R CA -0.865 55.396 56.100 0.268 0.000 0.879 255 R CB 2.597 33.052 30.300 0.259 0.000 1.178 255 R HN 0.380 nan 8.270 nan 0.000 0.445 256 Y N 2.845 123.004 120.300 -0.234 0.000 2.328 256 Y HA 0.255 4.688 4.550 -0.195 0.000 0.337 256 Y C -0.458 175.297 175.900 -0.241 0.000 1.008 256 Y CA -0.605 57.129 58.100 -0.610 0.000 1.129 256 Y CB 1.107 38.969 38.460 -0.997 0.000 1.185 256 Y HN 0.497 nan 8.280 nan 0.000 0.476 257 N N 4.828 122.977 118.700 -0.918 0.000 2.746 257 N HA 0.289 4.912 4.740 -0.195 0.000 0.250 257 N C -0.532 174.555 175.510 -0.706 0.000 1.146 257 N CA -0.042 52.685 53.050 -0.538 0.000 0.828 257 N CB 0.842 39.261 38.487 -0.113 0.000 1.158 257 N HN 0.978 nan 8.380 nan 0.000 0.519 258 G N 0.383 108.759 108.800 -0.707 0.000 2.537 258 G HA2 0.121 3.964 3.960 -0.195 0.000 0.297 258 G HA3 0.121 3.964 3.960 -0.195 0.000 0.297 258 G C 0.653 175.449 174.900 -0.174 0.000 1.310 258 G CA -0.205 44.690 45.100 -0.342 0.000 1.027 258 G HN 0.345 nan 8.290 nan 0.000 0.505 259 E N -0.732 119.411 120.200 -0.095 0.000 2.047 259 E HA -0.075 4.158 4.350 -0.195 0.000 0.191 259 E C 2.273 178.837 176.600 -0.060 0.000 0.987 259 E CA 0.933 57.280 56.400 -0.088 0.000 0.799 259 E CB -0.141 29.527 29.700 -0.053 0.000 0.752 259 E HN 0.300 nan 8.360 nan 0.000 0.449 260 L N -1.307 119.907 121.223 -0.015 0.000 2.575 260 L HA 0.427 4.650 4.340 -0.195 0.000 0.228 260 L C 0.754 177.635 176.870 0.018 0.000 1.075 260 L CA 0.561 55.398 54.840 -0.005 0.000 0.867 260 L CB 0.023 42.083 42.059 0.001 0.000 1.097 260 L HN 0.184 nan 8.230 nan 0.000 0.485 261 I N 0.521 121.130 120.570 0.064 0.000 2.509 261 I HA 0.301 4.355 4.170 -0.195 0.000 0.293 261 I C -0.373 175.822 176.117 0.131 0.000 1.020 261 I CA -0.506 60.857 61.300 0.105 0.000 1.088 261 I CB 2.039 40.123 38.000 0.140 0.000 1.267 261 I HN -0.056 nan 8.210 nan 0.000 0.430 262 K N 3.831 124.291 120.400 0.101 0.000 2.427 262 K HA 0.620 4.823 4.320 -0.195 0.000 0.252 262 K C -1.153 175.532 176.600 0.142 0.000 0.931 262 K CA -0.662 55.680 56.287 0.091 0.000 0.793 262 K CB 2.707 35.228 32.500 0.035 0.000 1.211 262 K HN 0.486 nan 8.250 nan 0.000 0.426 263 S N 2.100 117.915 115.700 0.191 0.000 2.548 263 S HA 0.338 4.691 4.470 -0.195 0.000 0.276 263 S C -1.887 172.889 174.600 0.293 0.000 1.129 263 S CA -0.691 57.664 58.200 0.258 0.000 0.931 263 S CB 1.114 64.499 63.200 0.310 0.000 1.068 263 S HN 0.569 nan 8.310 nan 0.000 0.480 264 Q N 2.595 122.617 119.800 0.370 0.000 2.389 264 Q HA 0.740 4.964 4.340 -0.195 0.000 0.277 264 Q C -1.690 174.555 176.000 0.408 0.000 1.082 264 Q CA -1.135 54.883 55.803 0.360 0.000 0.810 264 Q CB 2.231 31.165 28.738 0.326 0.000 1.374 264 Q HN 0.421 nan 8.270 nan 0.000 0.422 265 L N 2.830 124.195 121.223 0.236 0.000 2.372 265 L HA 0.611 4.834 4.340 -0.195 0.000 0.273 265 L C -1.816 175.117 176.870 0.105 0.000 0.989 265 L CA -0.424 54.457 54.840 0.069 0.000 0.841 265 L CB 1.432 43.336 42.059 -0.259 0.000 1.225 265 L HN 0.745 nan 8.230 nan 0.000 0.414 266 I N 3.102 123.778 120.570 0.177 0.000 2.545 266 I HA 0.428 4.482 4.170 -0.195 0.000 0.292 266 I C -0.437 175.797 176.117 0.196 0.000 1.040 266 I CA -0.593 60.823 61.300 0.194 0.000 1.068 266 I CB 2.416 40.616 38.000 0.335 0.000 1.251 266 I HN 0.472 nan 8.210 nan 0.000 0.424 267 T N 3.923 118.576 114.554 0.165 0.000 2.812 267 T HA 0.603 4.837 4.350 -0.195 0.000 0.282 267 T C -0.833 174.018 174.700 0.251 0.000 0.990 267 T CA -0.294 61.928 62.100 0.202 0.000 0.960 267 T CB 0.861 69.814 68.868 0.141 0.000 0.948 267 T HN 0.608 nan 8.240 nan 0.000 0.438 268 S N 3.639 119.517 115.700 0.297 0.000 2.536 268 S HA 0.661 5.015 4.470 -0.195 0.000 0.287 268 S C -1.802 172.997 174.600 0.332 0.000 1.101 268 S CA -0.727 57.651 58.200 0.297 0.000 0.950 268 S CB 1.516 64.867 63.200 0.252 0.000 1.056 268 S HN 0.731 nan 8.310 nan 0.000 0.481 269 Y N 1.188 121.582 120.300 0.158 0.000 2.421 269 Y HA 0.684 5.117 4.550 -0.195 0.000 0.339 269 Y C -0.815 175.111 175.900 0.045 0.000 0.996 269 Y CA -0.424 57.702 58.100 0.043 0.000 1.046 269 Y CB 1.791 40.293 38.460 0.069 0.000 1.226 269 Y HN 0.631 nan 8.280 nan 0.000 0.445 270 S N 5.387 120.766 115.700 -0.535 0.000 2.557 270 S HA 0.411 4.764 4.470 -0.195 0.000 0.291 270 S C -2.067 172.133 174.600 -0.667 0.000 1.116 270 S CA -0.485 57.415 58.200 -0.500 0.000 0.992 270 S CB 0.542 63.613 63.200 -0.214 0.000 1.028 270 S HN 0.901 nan 8.310 nan 0.000 0.484 271 H N 2.375 121.076 119.070 -0.616 0.000 2.727 271 H HA 0.571 5.011 4.556 -0.195 0.000 0.330 271 H C -0.872 174.326 175.328 -0.217 0.000 0.986 271 H CA -0.557 55.244 56.048 -0.413 0.000 1.251 271 H CB 1.015 30.596 29.762 -0.302 0.000 1.493 271 H HN 0.649 nan 8.280 nan 0.000 0.515 272 S N 4.693 120.328 115.700 -0.109 0.000 2.513 272 S HA 0.534 4.887 4.470 -0.195 0.000 0.299 272 S C -0.948 173.553 174.600 -0.164 0.000 1.087 272 S CA -1.079 57.027 58.200 -0.157 0.000 1.012 272 S CB 2.500 65.654 63.200 -0.076 0.000 1.044 272 S HN 0.650 nan 8.310 nan 0.000 0.485 273 K N 1.498 121.814 120.400 -0.140 0.000 2.545 273 K HA 0.404 4.607 4.320 -0.195 0.000 0.252 273 K C -1.924 174.635 176.600 -0.069 0.000 0.948 273 K CA -0.557 55.643 56.287 -0.145 0.000 0.827 273 K CB 1.717 34.153 32.500 -0.107 0.000 1.128 273 K HN 0.619 nan 8.250 nan 0.000 0.429 274 D N 2.891 123.195 120.400 -0.160 0.000 2.453 274 D HA 0.205 4.728 4.640 -0.195 0.000 0.238 274 D C -1.332 174.907 176.300 -0.101 0.000 1.088 274 D CA -0.360 53.606 54.000 -0.056 0.000 0.854 274 D CB 0.450 41.227 40.800 -0.037 0.000 1.076 274 D HN 0.299 nan 8.370 nan 0.000 0.533 275 Y N 1.984 122.342 120.300 0.098 0.000 2.330 275 Y HA 0.410 4.843 4.550 -0.194 0.000 0.336 275 Y C 0.825 176.859 175.900 0.222 0.000 1.036 275 Y CA -0.791 57.389 58.100 0.132 0.000 1.125 275 Y CB 1.317 39.839 38.460 0.104 0.000 1.194 275 Y HN 0.158 nan 8.280 nan 0.000 0.469 276 N N 3.673 122.598 118.700 0.374 0.000 2.372 276 N HA 0.341 4.964 4.740 -0.195 0.000 0.285 276 N C -1.516 174.196 175.510 0.336 0.000 1.008 276 N CA -0.503 52.739 53.050 0.321 0.000 0.880 276 N CB 2.236 40.874 38.487 0.253 0.000 1.239 276 N HN 0.686 nan 8.380 nan 0.000 0.484 277 Y N -1.276 119.073 120.300 0.082 0.000 2.670 277 Y HA 0.422 4.855 4.550 -0.195 0.000 0.334 277 Y C -1.427 174.481 175.900 0.014 0.000 1.185 277 Y CA -1.326 56.798 58.100 0.041 0.000 1.053 277 Y CB 0.929 39.391 38.460 0.003 0.000 1.298 277 Y HN 0.160 nan 8.280 nan 0.000 0.459 278 D N 2.299 122.767 120.400 0.113 0.000 2.317 278 D HA 0.343 4.867 4.640 -0.195 0.000 0.234 278 D C -2.013 174.408 176.300 0.202 0.000 1.112 278 D CA -2.371 51.688 54.000 0.098 0.000 0.840 278 D CB 1.978 42.912 40.800 0.223 0.000 1.078 278 D HN 0.343 nan 8.370 nan 0.000 0.486 279 P HA -0.153 nan 4.420 nan 0.000 0.217 279 P C 0.504 177.760 177.300 -0.073 0.000 1.148 279 P CA 1.394 64.486 63.100 -0.013 0.000 0.834 279 P CB 0.153 31.694 31.700 -0.265 0.000 0.783 280 H N -3.489 115.674 119.070 0.155 0.000 2.470 280 H HA 0.012 4.452 4.556 -0.195 0.000 0.289 280 H C 1.353 176.724 175.328 0.071 0.000 1.033 280 H CA 1.056 57.161 56.048 0.095 0.000 1.331 280 H CB -0.633 29.174 29.762 0.075 0.000 1.414 280 H HN 0.283 nan 8.280 nan 0.000 0.545 281 Y N -0.200 120.207 120.300 0.177 0.000 2.509 281 Y HA 0.269 4.703 4.550 -0.194 0.000 0.270 281 Y C 1.338 177.299 175.900 0.103 0.000 1.103 281 Y CA 0.186 58.366 58.100 0.133 0.000 1.278 281 Y CB 0.943 39.482 38.460 0.131 0.000 1.087 281 Y HN 0.313 nan 8.280 nan 0.000 0.542 282 G N 0.620 109.574 108.800 0.256 0.000 2.662 282 G HA2 -0.249 3.595 3.960 -0.195 0.000 0.686 282 G HA3 -0.249 3.595 3.960 -0.195 0.000 0.686 282 G C 0.061 174.943 174.900 -0.031 0.000 1.271 282 G CA -0.205 44.952 45.100 0.096 0.000 0.816 282 G HN 0.257 nan 8.290 nan 0.000 0.608 283 R N -0.496 119.694 120.500 -0.518 0.000 2.236 283 R HA 0.128 4.351 4.340 -0.195 0.000 0.208 283 R C 1.360 177.215 176.300 -0.741 0.000 1.036 283 R CA 1.717 57.206 56.100 -1.018 0.000 1.001 283 R CB -0.143 29.142 30.300 -1.691 0.000 0.896 283 R HN 0.636 nan 8.270 nan 0.000 0.464 284 Y N -0.608 119.635 120.300 -0.095 0.000 2.467 284 Y HA 0.226 4.659 4.550 -0.195 0.000 0.250 284 Y C 0.081 176.014 175.900 0.055 0.000 1.155 284 Y CA -1.027 57.079 58.100 0.010 0.000 1.249 284 Y CB -0.034 38.419 38.460 -0.012 0.000 1.146 284 Y HN 0.065 nan 8.280 nan 0.000 0.524 285 D N -0.080 120.415 120.400 0.159 0.000 2.378 285 D HA -0.037 4.486 4.640 -0.195 0.000 0.238 285 D C 1.523 177.912 176.300 0.148 0.000 1.180 285 D CA 0.847 54.951 54.000 0.172 0.000 0.895 285 D CB 1.109 42.039 40.800 0.216 0.000 1.192 285 D HN 0.151 nan 8.370 nan 0.000 0.438 286 S N 0.572 116.351 115.700 0.132 0.000 2.420 286 S HA -0.261 4.092 4.470 -0.195 0.000 0.237 286 S C 1.900 176.546 174.600 0.076 0.000 1.023 286 S CA 1.327 59.587 58.200 0.099 0.000 0.991 286 S CB -0.719 62.533 63.200 0.086 0.000 0.792 286 S HN 0.519 nan 8.310 nan 0.000 0.488 287 S N 2.175 117.913 115.700 0.064 0.000 2.436 287 S HA 0.387 4.740 4.470 -0.195 0.000 0.228 287 S C 0.995 175.635 174.600 0.066 0.000 1.014 287 S CA 0.149 58.355 58.200 0.009 0.000 0.950 287 S CB -0.804 62.312 63.200 -0.139 0.000 0.784 287 S HN 0.838 nan 8.310 nan 0.000 0.504 288 A N 2.266 125.157 122.820 0.119 0.000 2.425 288 A HA 0.512 4.715 4.320 -0.195 0.000 0.242 288 A C 0.681 178.353 177.584 0.147 0.000 1.077 288 A CA 0.145 52.285 52.037 0.172 0.000 0.781 288 A CB -0.083 19.023 19.000 0.176 0.000 1.020 288 A HN 0.633 nan 8.150 nan 0.000 0.494 289 T N -0.204 114.442 114.554 0.153 0.000 2.918 289 T HA 0.668 4.901 4.350 -0.195 0.000 0.286 289 T C -0.490 174.237 174.700 0.046 0.000 1.026 289 T CA -0.717 61.429 62.100 0.076 0.000 1.031 289 T CB 1.234 70.126 68.868 0.041 0.000 1.046 289 T HN 0.636 nan 8.240 nan 0.000 0.479 290 L N 1.642 122.825 121.223 -0.066 0.000 2.439 290 L HA 0.460 4.683 4.340 -0.195 0.000 0.270 290 L C -1.531 175.223 176.870 -0.195 0.000 0.972 290 L CA -0.803 53.903 54.840 -0.223 0.000 0.836 290 L CB 1.883 43.769 42.059 -0.289 0.000 1.255 290 L HN 0.742 nan 8.230 nan 0.000 0.404 291 D N 4.235 124.519 120.400 -0.193 0.000 2.329 291 D HA 0.311 4.834 4.640 -0.195 0.000 0.232 291 D C -0.662 175.547 176.300 -0.152 0.000 1.088 291 D CA 0.132 54.040 54.000 -0.153 0.000 0.835 291 D CB 1.968 42.698 40.800 -0.117 0.000 1.078 291 D HN 0.462 nan 8.370 nan 0.000 0.495 292 E N 2.759 122.885 120.200 -0.124 0.000 2.256 292 E HA 0.509 4.742 4.350 -0.195 0.000 0.268 292 E C -1.461 175.108 176.600 -0.051 0.000 0.877 292 E CA -0.752 55.605 56.400 -0.072 0.000 0.757 292 E CB 1.889 31.567 29.700 -0.037 0.000 1.183 292 E HN 0.325 nan 8.360 nan 0.000 0.418 293 M N 3.800 123.397 119.600 -0.005 0.000 2.457 293 M HA 0.462 4.825 4.480 -0.195 0.000 0.300 293 M C -1.839 174.456 176.300 -0.008 0.000 1.141 293 M CA -0.627 54.652 55.300 -0.034 0.000 0.901 293 M CB 1.826 34.395 32.600 -0.052 0.000 1.687 293 M HN 0.375 nan 8.290 nan 0.000 0.449 294 K N 3.645 123.993 120.400 -0.086 0.000 2.358 294 K HA 0.382 4.586 4.320 -0.195 0.000 0.260 294 K C -1.356 175.100 176.600 -0.239 0.000 0.956 294 K CA -0.560 55.583 56.287 -0.241 0.000 0.834 294 K CB 2.227 34.633 32.500 -0.157 0.000 1.102 294 K HN 0.645 nan 8.250 nan 0.000 0.431 295 Q N 3.364 122.933 119.800 -0.385 0.000 2.337 295 Q HA 0.338 4.562 4.340 -0.195 0.000 0.270 295 Q C -1.698 174.149 176.000 -0.255 0.000 1.043 295 Q CA -0.758 54.926 55.803 -0.199 0.000 0.794 295 Q CB 1.214 29.891 28.738 -0.102 0.000 1.281 295 Q HN 0.550 nan 8.270 nan 0.000 0.446 296 Y N 1.201 121.552 120.300 0.085 0.000 2.376 296 Y HA 0.508 4.941 4.550 -0.195 0.000 0.340 296 Y C -0.358 175.601 175.900 0.099 0.000 0.965 296 Y CA -0.738 57.489 58.100 0.212 0.000 1.078 296 Y CB 2.651 41.309 38.460 0.330 0.000 1.193 296 Y HN 0.436 nan 8.280 nan 0.000 0.452 297 T N 2.954 117.719 114.554 0.351 0.000 2.893 297 T HA 0.647 4.881 4.350 -0.195 0.000 0.293 297 T C -1.121 173.830 174.700 0.417 0.000 1.027 297 T CA -0.763 61.516 62.100 0.299 0.000 0.988 297 T CB 1.750 70.745 68.868 0.210 0.000 1.043 297 T HN 0.304 nan 8.240 nan 0.000 0.461 298 V N 3.294 123.494 119.914 0.477 0.000 2.483 298 V HA 0.472 4.476 4.120 -0.195 0.000 0.297 298 V C -0.649 175.664 176.094 0.364 0.000 1.027 298 V CA -0.852 61.683 62.300 0.392 0.000 0.855 298 V CB 1.769 33.810 31.823 0.363 0.000 0.995 298 V HN 0.840 nan 8.190 nan 0.000 0.424 299 Q N 3.416 123.411 119.800 0.326 0.000 2.365 299 Q HA 0.484 4.708 4.340 -0.195 0.000 0.269 299 Q C -1.618 174.634 176.000 0.421 0.000 1.061 299 Q CA -0.671 55.347 55.803 0.359 0.000 0.816 299 Q CB 3.108 32.045 28.738 0.331 0.000 1.325 299 Q HN 0.708 nan 8.270 nan 0.000 0.446 300 W N 2.045 123.464 121.300 0.198 0.000 2.587 300 W HA 0.678 5.222 4.660 -0.192 0.000 0.324 300 W C -1.659 174.949 176.519 0.147 0.000 1.008 300 W CA -0.960 56.479 57.345 0.156 0.000 1.265 300 W CB 1.173 30.700 29.460 0.112 0.000 1.328 300 W HN 0.682 nan 8.180 nan 0.000 0.432 301 A N 5.708 128.773 122.820 0.409 0.000 2.355 301 A HA 0.833 5.036 4.320 -0.195 0.000 0.324 301 A C -0.908 176.754 177.584 0.131 0.000 1.117 301 A CA -0.667 51.516 52.037 0.243 0.000 0.785 301 A CB 1.382 20.585 19.000 0.338 0.000 1.254 301 A HN 0.593 nan 8.150 nan 0.000 0.453 302 N N 1.595 120.305 118.700 0.017 0.000 2.331 302 N HA 0.338 4.961 4.740 -0.195 0.000 0.280 302 N C -1.927 173.593 175.510 0.016 0.000 1.155 302 N CA -0.594 52.453 53.050 -0.005 0.000 0.822 302 N CB 2.385 40.787 38.487 -0.142 0.000 1.619 302 N HN 0.751 nan 8.380 nan 0.000 0.476 303 N N 1.236 119.957 118.700 0.035 0.000 2.336 303 N HA 0.337 4.961 4.740 -0.195 0.000 0.290 303 N C -1.946 173.577 175.510 0.022 0.000 1.058 303 N CA -0.263 52.807 53.050 0.033 0.000 0.865 303 N CB 2.217 40.733 38.487 0.048 0.000 1.581 303 N HN 0.145 nan 8.380 nan 0.000 0.480 304 V N 4.109 124.029 119.914 0.009 0.000 2.487 304 V HA 0.474 4.477 4.120 -0.195 0.000 0.298 304 V C 0.388 176.482 176.094 0.001 0.000 1.028 304 V CA -0.772 61.531 62.300 0.005 0.000 0.860 304 V CB 1.350 33.169 31.823 -0.006 0.000 0.991 304 V HN 0.547 nan 8.190 nan 0.000 0.427 305 I N 4.835 125.402 120.570 -0.005 0.000 2.556 305 I HA 0.234 4.287 4.170 -0.195 0.000 0.284 305 I C -0.181 175.925 176.117 -0.017 0.000 1.114 305 I CA 0.435 61.726 61.300 -0.016 0.000 1.418 305 I CB 0.948 38.929 38.000 -0.031 0.000 1.394 305 I HN 0.325 nan 8.210 nan 0.000 0.552 306 V N 6.602 126.508 119.914 -0.014 0.000 2.445 306 V HA 0.630 4.633 4.120 -0.195 0.000 0.283 306 V C 0.623 176.710 176.094 -0.012 0.000 1.014 306 V CA -0.121 62.174 62.300 -0.009 0.000 0.852 306 V CB 0.420 32.247 31.823 0.006 0.000 1.021 306 V HN 1.146 nan 8.190 nan 0.000 0.435 307 G N 3.867 112.640 108.800 -0.044 0.000 2.574 307 G HA2 -0.268 3.576 3.960 -0.195 0.000 0.286 307 G HA3 -0.268 3.576 3.960 -0.195 0.000 0.286 307 G C 0.104 174.908 174.900 -0.160 0.000 1.212 307 G CA 0.243 45.301 45.100 -0.069 0.000 0.979 307 G HN 0.809 nan 8.290 nan 0.000 0.557 308 H N 2.719 121.810 119.070 0.036 0.000 2.799 308 H HA 0.481 4.921 4.556 -0.194 0.000 0.225 308 H C 1.059 176.412 175.328 0.042 0.000 1.904 308 H CA 1.239 57.309 56.048 0.036 0.000 1.344 308 H CB -0.428 29.359 29.762 0.042 0.000 1.744 308 H HN 1.358 nan 8.280 nan 0.000 0.542 309 G N 0.398 109.240 108.800 0.071 0.000 2.439 309 G HA2 0.130 3.973 3.960 -0.195 0.000 0.186 309 G HA3 0.130 3.973 3.960 -0.195 0.000 0.186 309 G C -1.129 173.791 174.900 0.032 0.000 1.260 309 G CA -0.105 45.033 45.100 0.063 0.000 1.020 309 G HN 0.576 nan 8.290 nan 0.000 0.470 310 S N -1.517 114.207 115.700 0.040 0.000 2.627 310 S HA 0.720 5.073 4.470 -0.195 0.000 0.268 310 S C -1.581 173.039 174.600 0.033 0.000 1.130 310 S CA -0.635 57.581 58.200 0.027 0.000 0.819 310 S CB 1.330 64.542 63.200 0.021 0.000 1.100 310 S HN 1.230 nan 8.310 nan 0.000 0.465 311 I N 0.881 121.464 120.570 0.022 0.000 2.498 311 I HA 0.712 4.766 4.170 -0.195 0.000 0.290 311 I C 0.424 176.551 176.117 0.017 0.000 1.032 311 I CA -0.577 60.735 61.300 0.019 0.000 1.073 311 I CB 2.202 40.204 38.000 0.002 0.000 1.251 311 I HN 0.989 nan 8.210 nan 0.000 0.426 312 G N 3.788 112.608 108.800 0.034 0.000 2.533 312 G HA2 0.897 4.741 3.960 -0.195 0.000 0.304 312 G HA3 0.897 4.741 3.960 -0.195 0.000 0.304 312 G C -1.661 173.234 174.900 -0.008 0.000 1.263 312 G CA -0.647 44.478 45.100 0.042 0.000 0.964 312 G HN 0.826 nan 8.290 nan 0.000 0.479 313 A N -0.716 122.022 122.820 -0.137 0.000 2.604 313 A HA 1.005 5.208 4.320 -0.195 0.000 0.295 313 A C -0.198 176.941 177.584 -0.741 0.000 1.067 313 A CA 0.070 51.834 52.037 -0.454 0.000 0.683 313 A CB 1.669 20.481 19.000 -0.313 0.000 1.281 313 A HN 2.285 nan 8.150 nan 0.000 0.407 314 G N -1.099 106.935 108.800 -1.278 0.000 2.495 314 G HA2 0.757 4.601 3.960 -0.195 0.000 0.294 314 G HA3 0.757 4.601 3.960 -0.195 0.000 0.294 314 G C -1.196 173.403 174.900 -0.502 0.000 1.397 314 G CA 0.296 44.902 45.100 -0.823 0.000 0.790 314 G HN 2.152 nan 8.290 nan 0.000 0.486 315 V N -1.542 118.350 119.914 -0.037 0.000 2.841 315 V HA 0.921 4.925 4.120 -0.195 0.000 0.310 315 V C -1.409 174.862 176.094 0.296 0.000 1.090 315 V CA -0.817 61.560 62.300 0.128 0.000 0.930 315 V CB 1.756 33.645 31.823 0.110 0.000 1.014 315 V HN 1.176 nan 8.190 nan 0.000 0.425 316 D N 1.677 122.263 120.400 0.309 0.000 2.552 316 D HA 0.710 5.233 4.640 -0.195 0.000 0.239 316 D C -1.377 175.144 176.300 0.368 0.000 1.139 316 D CA -0.443 53.760 54.000 0.339 0.000 0.914 316 D CB 2.080 43.064 40.800 0.307 0.000 1.461 316 D HN 0.938 nan 8.370 nan 0.000 0.462 317 W N 0.952 122.360 121.300 0.180 0.000 3.042 317 W HA 0.454 4.997 4.660 -0.195 0.000 0.337 317 W C -1.875 174.746 176.519 0.171 0.000 1.086 317 W CA -0.528 56.912 57.345 0.158 0.000 1.236 317 W CB 1.605 31.148 29.460 0.138 0.000 1.381 317 W HN 0.597 nan 8.180 nan 0.000 0.472 318 Q N 5.403 124.877 119.800 -0.542 0.000 2.372 318 Q HA 0.468 4.691 4.340 -0.195 0.000 0.273 318 Q C -1.738 173.718 176.000 -0.906 0.000 1.078 318 Q CA -0.883 54.582 55.803 -0.563 0.000 0.806 318 Q CB 2.401 31.041 28.738 -0.163 0.000 1.332 318 Q HN 0.575 nan 8.270 nan 0.000 0.435 319 K N 2.833 122.790 120.400 -0.739 0.000 2.397 319 K HA 0.376 4.580 4.320 -0.195 0.000 0.253 319 K C -1.469 175.123 176.600 -0.013 0.000 0.932 319 K CA -0.322 55.742 56.287 -0.372 0.000 0.795 319 K CB 1.904 34.189 32.500 -0.359 0.000 1.159 319 K HN 0.634 nan 8.250 nan 0.000 0.424 320 Q N 1.844 121.674 119.800 0.050 0.000 2.340 320 Q HA 0.315 4.538 4.340 -0.195 0.000 0.268 320 Q C -1.162 174.898 176.000 0.099 0.000 1.031 320 Q CA -0.939 54.919 55.803 0.093 0.000 0.804 320 Q CB 2.394 31.196 28.738 0.107 0.000 1.286 320 Q HN 0.739 nan 8.270 nan 0.000 0.448 321 T N -1.096 113.497 114.554 0.066 0.000 2.848 321 T HA 0.680 4.913 4.350 -0.195 0.000 0.285 321 T C -0.227 174.390 174.700 -0.138 0.000 0.995 321 T CA -0.743 61.351 62.100 -0.009 0.000 0.970 321 T CB 1.604 70.519 68.868 0.079 0.000 0.976 321 T HN 0.560 nan 8.240 nan 0.000 0.441 322 T N -0.194 114.169 114.554 -0.319 0.000 2.887 322 T HA 0.713 4.947 4.350 -0.195 0.000 0.288 322 T C 0.438 175.007 174.700 -0.219 0.000 1.021 322 T CA -0.686 61.208 62.100 -0.343 0.000 1.000 322 T CB 1.304 69.781 68.868 -0.651 0.000 1.034 322 T HN 0.982 nan 8.240 nan 0.000 0.467 323 T N 0.200 114.676 114.554 -0.130 0.000 2.868 323 T HA 0.471 4.704 4.350 -0.195 0.000 0.292 323 T C -2.678 171.989 174.700 -0.054 0.000 1.028 323 T CA -1.742 60.318 62.100 -0.067 0.000 1.059 323 T CB -0.229 68.620 68.868 -0.032 0.000 0.991 323 T HN 0.414 nan 8.240 nan 0.000 0.531 324 P HA 0.203 nan 4.420 nan 0.000 0.261 324 P C 1.180 178.486 177.300 0.011 0.000 1.173 324 P CA 1.512 64.620 63.100 0.013 0.000 0.760 324 P CB 0.021 31.737 31.700 0.026 0.000 0.783 325 G N 1.794 110.614 108.800 0.033 0.000 2.253 325 G HA2 -0.247 3.596 3.960 -0.195 0.000 0.251 325 G HA3 -0.247 3.596 3.960 -0.195 0.000 0.251 325 G C 0.369 175.237 174.900 -0.053 0.000 0.998 325 G CA 0.161 45.273 45.100 0.020 0.000 0.621 325 G HN 0.593 nan 8.290 nan 0.000 0.524 326 T N 1.253 115.772 114.554 -0.059 0.000 2.908 326 T HA 0.432 4.665 4.350 -0.195 0.000 0.301 326 T C 1.639 176.338 174.700 -0.002 0.000 1.019 326 T CA 1.580 63.626 62.100 -0.091 0.000 1.152 326 T CB 0.699 69.492 68.868 -0.124 0.000 0.966 326 T HN 2.012 nan 8.240 nan 0.000 0.540 327 G N 2.949 111.709 108.800 -0.067 0.000 2.203 327 G HA2 -0.357 3.486 3.960 -0.195 0.000 0.263 327 G HA3 -0.357 3.486 3.960 -0.195 0.000 0.263 327 G C 0.363 175.420 174.900 0.262 0.000 1.012 327 G CA 0.376 45.531 45.100 0.091 0.000 0.749 327 G HN 0.995 nan 8.290 nan 0.000 0.512 328 Y N -3.876 116.556 120.300 0.220 0.000 3.875 328 Y HA -0.243 4.190 4.550 -0.195 0.000 0.216 328 Y C 1.209 177.239 175.900 0.216 0.000 1.148 328 Y CA 0.622 58.849 58.100 0.211 0.000 1.629 328 Y CB -2.182 36.439 38.460 0.269 0.000 1.506 328 Y HN 0.449 nan 8.280 nan 0.000 0.629 329 V N 0.328 120.423 119.914 0.301 0.000 2.389 329 V HA 0.036 4.039 4.120 -0.195 0.000 0.264 329 V C 1.341 177.554 176.094 0.199 0.000 1.049 329 V CA 0.460 62.930 62.300 0.283 0.000 0.932 329 V CB 1.386 33.423 31.823 0.358 0.000 1.011 329 V HN 0.425 nan 8.190 nan 0.000 0.475 330 E N 3.592 123.899 120.200 0.177 0.000 2.086 330 E HA -0.303 3.930 4.350 -0.195 0.000 0.205 330 E C 1.766 178.422 176.600 0.094 0.000 1.027 330 E CA 2.316 58.792 56.400 0.128 0.000 0.830 330 E CB -0.304 29.463 29.700 0.112 0.000 0.751 330 E HN 1.058 nan 8.360 nan 0.000 0.456 331 D N -1.790 118.664 120.400 0.090 0.000 2.395 331 D HA 0.455 4.978 4.640 -0.195 0.000 0.213 331 D C 1.026 177.360 176.300 0.057 0.000 1.110 331 D CA 0.961 54.999 54.000 0.063 0.000 0.835 331 D CB -0.426 40.403 40.800 0.048 0.000 0.965 331 D HN 0.747 nan 8.370 nan 0.000 0.505 332 G N -0.227 108.621 108.800 0.080 0.000 2.693 332 G HA2 0.209 4.052 3.960 -0.195 0.000 0.226 332 G HA3 0.209 4.052 3.960 -0.195 0.000 0.226 332 G C -0.013 174.973 174.900 0.143 0.000 1.354 332 G CA 0.186 45.302 45.100 0.028 0.000 0.873 332 G HN 1.639 nan 8.290 nan 0.000 0.562 333 Y N -2.277 118.054 120.300 0.052 0.000 2.689 333 Y HA 0.780 5.213 4.550 -0.195 0.000 0.333 333 Y C -1.055 174.879 175.900 0.055 0.000 1.208 333 Y CA -0.859 57.272 58.100 0.053 0.000 1.055 333 Y CB 1.585 40.095 38.460 0.082 0.000 1.304 333 Y HN 0.725 nan 8.280 nan 0.000 0.455 334 D N 1.315 121.887 120.400 0.287 0.000 2.629 334 D HA 0.273 4.796 4.640 -0.195 0.000 0.250 334 D C -1.748 174.703 176.300 0.251 0.000 1.126 334 D CA -0.187 53.935 54.000 0.202 0.000 0.852 334 D CB 2.370 43.243 40.800 0.121 0.000 1.335 334 D HN 0.774 nan 8.370 nan 0.000 0.518 335 Q N 3.304 123.248 119.800 0.240 0.000 2.323 335 Q HA 0.486 4.710 4.340 -0.195 0.000 0.271 335 Q C -1.099 174.957 176.000 0.093 0.000 1.048 335 Q CA -0.717 55.200 55.803 0.191 0.000 0.792 335 Q CB 1.882 30.767 28.738 0.245 0.000 1.280 335 Q HN 0.365 nan 8.270 nan 0.000 0.441 336 R N 2.293 122.836 120.500 0.071 0.000 2.670 336 R HA 0.549 4.772 4.340 -0.195 0.000 0.289 336 R C -1.285 175.026 176.300 0.018 0.000 0.965 336 R CA -0.814 55.279 56.100 -0.011 0.000 0.899 336 R CB 1.845 32.185 30.300 0.067 0.000 1.173 336 R HN 0.580 nan 8.270 nan 0.000 0.456 337 N N -0.117 118.541 118.700 -0.069 0.000 2.287 337 N HA 0.307 4.931 4.740 -0.195 0.000 0.289 337 N C -1.855 173.687 175.510 0.054 0.000 1.066 337 N CA -0.297 52.771 53.050 0.030 0.000 0.841 337 N CB 2.344 40.859 38.487 0.048 0.000 1.599 337 N HN 0.342 nan 8.380 nan 0.000 0.476 338 T N 1.335 115.980 114.554 0.153 0.000 2.812 338 T HA 0.728 4.961 4.350 -0.195 0.000 0.282 338 T C -0.476 174.331 174.700 0.178 0.000 0.990 338 T CA -0.597 61.635 62.100 0.220 0.000 0.960 338 T CB 1.235 70.251 68.868 0.247 0.000 0.948 338 T HN 0.558 nan 8.240 nan 0.000 0.438 339 G N 2.136 111.053 108.800 0.195 0.000 2.571 339 G HA2 0.784 4.627 3.960 -0.195 0.000 0.304 339 G HA3 0.784 4.627 3.960 -0.195 0.000 0.304 339 G C -1.623 173.390 174.900 0.188 0.000 1.314 339 G CA -0.511 44.699 45.100 0.184 0.000 0.975 339 G HN 0.784 nan 8.290 nan 0.000 0.485 340 I N 1.078 121.744 120.570 0.161 0.000 2.647 340 I HA 0.723 4.776 4.170 -0.195 0.000 0.295 340 I C -1.398 174.819 176.117 0.168 0.000 1.078 340 I CA -1.399 59.964 61.300 0.105 0.000 1.048 340 I CB 2.147 40.163 38.000 0.027 0.000 1.239 340 I HN 0.688 nan 8.210 nan 0.000 0.421 341 Y N 5.778 126.096 120.300 0.030 0.000 2.581 341 Y HA 0.830 5.262 4.550 -0.196 0.000 0.345 341 Y C -2.108 173.793 175.900 0.002 0.000 1.036 341 Y CA -1.328 56.785 58.100 0.022 0.000 1.042 341 Y CB 1.393 39.867 38.460 0.023 0.000 1.289 341 Y HN 0.483 nan 8.280 nan 0.000 0.471 342 L N 2.562 123.889 121.223 0.172 0.000 2.422 342 L HA 0.848 5.072 4.340 -0.195 0.000 0.264 342 L C -0.825 176.146 176.870 0.168 0.000 0.984 342 L CA -0.129 54.758 54.840 0.079 0.000 0.819 342 L CB 2.568 44.642 42.059 0.024 0.000 1.330 342 L HN 1.072 nan 8.230 nan 0.000 0.410 343 T N 0.486 115.122 114.554 0.137 0.000 2.903 343 T HA 0.940 5.173 4.350 -0.195 0.000 0.299 343 T C -0.479 174.267 174.700 0.076 0.000 1.093 343 T CA -0.367 61.801 62.100 0.113 0.000 1.002 343 T CB 1.816 70.746 68.868 0.103 0.000 1.127 343 T HN 0.948 nan 8.240 nan 0.000 0.488 344 G N 0.761 109.607 108.800 0.076 0.000 2.667 344 G HA2 0.665 4.508 3.960 -0.195 0.000 0.298 344 G HA3 0.665 4.508 3.960 -0.195 0.000 0.298 344 G C -2.116 172.838 174.900 0.090 0.000 1.377 344 G CA -0.857 44.286 45.100 0.072 0.000 0.964 344 G HN 0.985 nan 8.290 nan 0.000 0.493 345 L N 0.530 121.807 121.223 0.091 0.000 2.493 345 L HA 0.869 5.092 4.340 -0.195 0.000 0.265 345 L C -1.142 175.803 176.870 0.126 0.000 0.954 345 L CA -0.621 54.284 54.840 0.108 0.000 0.844 345 L CB 2.459 44.563 42.059 0.075 0.000 1.302 345 L HN 0.596 nan 8.230 nan 0.000 0.405 346 Q N 2.395 122.301 119.800 0.178 0.000 2.313 346 Q HA 0.401 4.624 4.340 -0.195 0.000 0.260 346 Q C -1.732 174.406 176.000 0.230 0.000 0.972 346 Q CA -0.283 55.640 55.803 0.200 0.000 0.886 346 Q CB 1.910 30.769 28.738 0.202 0.000 1.373 346 Q HN 0.682 nan 8.270 nan 0.000 0.416 347 Q N 2.142 122.050 119.800 0.181 0.000 2.279 347 Q HA 0.658 4.882 4.340 -0.195 0.000 0.256 347 Q C -1.396 174.699 176.000 0.158 0.000 0.937 347 Q CA -0.382 55.498 55.803 0.129 0.000 0.933 347 Q CB 1.093 29.863 28.738 0.055 0.000 1.189 347 Q HN 0.478 nan 8.270 nan 0.000 0.417 348 V N 5.485 125.523 119.914 0.206 0.000 2.380 348 V HA 0.576 4.580 4.120 -0.195 0.000 0.286 348 V C 0.847 177.077 176.094 0.227 0.000 1.015 348 V CA 0.096 62.530 62.300 0.223 0.000 0.834 348 V CB 0.402 32.413 31.823 0.313 0.000 1.009 348 V HN 1.116 nan 8.190 nan 0.000 0.428 349 G N 4.584 113.463 108.800 0.131 0.000 2.660 349 G HA2 -0.296 3.547 3.960 -0.195 0.000 0.321 349 G HA3 -0.296 3.547 3.960 -0.195 0.000 0.321 349 G C 0.475 175.432 174.900 0.096 0.000 1.246 349 G CA 0.797 45.974 45.100 0.129 0.000 1.000 349 G HN 0.624 nan 8.290 nan 0.000 0.550 350 D N 0.768 121.241 120.400 0.122 0.000 2.328 350 D HA 0.264 4.788 4.640 -0.195 0.000 0.221 350 D C 0.235 176.430 176.300 -0.175 0.000 1.072 350 D CA 0.361 54.341 54.000 -0.033 0.000 0.850 350 D CB 0.074 40.856 40.800 -0.029 0.000 0.922 350 D HN 0.143 nan 8.370 nan 0.000 0.516 351 F N 0.624 120.624 119.950 0.084 0.000 2.443 351 F HA 0.291 4.863 4.527 0.076 0.000 0.335 351 F C 0.791 176.436 175.800 -0.257 0.000 1.104 351 F CA -0.438 57.496 58.000 -0.110 0.000 1.013 351 F CB 1.757 40.668 39.000 -0.148 0.000 1.136 351 F HN -0.425 nan 8.300 nan 0.000 0.470 352 T N 3.519 117.904 114.554 -0.281 0.000 2.841 352 T HA 0.657 4.890 4.350 -0.195 0.000 0.283 352 T C -1.142 173.221 174.700 -0.562 0.000 1.000 352 T CA -0.603 61.333 62.100 -0.273 0.000 0.977 352 T CB 0.903 69.702 68.868 -0.114 0.000 0.979 352 T HN 0.178 nan 8.240 nan 0.000 0.446 353 F N 0.522 120.540 119.950 0.113 0.000 2.540 353 F HA 0.683 4.992 4.527 -0.362 0.000 0.317 353 F C 0.323 176.168 175.800 0.075 0.000 1.104 353 F CA -0.843 57.213 58.000 0.094 0.000 0.913 353 F CB 2.292 41.343 39.000 0.084 0.000 1.170 353 F HN 0.433 nan 8.300 nan 0.000 0.450 354 E N 0.298 120.657 120.200 0.264 0.000 2.366 354 E HA 0.828 5.062 4.350 -0.195 0.000 0.278 354 E C -1.141 175.563 176.600 0.173 0.000 0.923 354 E CA -0.915 55.587 56.400 0.171 0.000 0.761 354 E CB 2.300 32.059 29.700 0.098 0.000 1.231 354 E HN 1.150 nan 8.360 nan 0.000 0.443 355 G N 0.149 109.036 108.800 0.146 0.000 2.755 355 G HA2 0.742 4.585 3.960 -0.195 0.000 0.297 355 G HA3 0.742 4.585 3.960 -0.195 0.000 0.297 355 G C -1.238 173.747 174.900 0.142 0.000 1.441 355 G CA 0.192 45.395 45.100 0.171 0.000 0.964 355 G HN 0.944 nan 8.290 nan 0.000 0.540 356 A N -0.061 122.860 122.820 0.169 0.000 2.572 356 A HA 1.079 5.283 4.320 -0.195 0.000 0.295 356 A C -0.501 177.212 177.584 0.216 0.000 1.072 356 A CA -0.085 52.041 52.037 0.149 0.000 0.691 356 A CB 1.800 20.848 19.000 0.079 0.000 1.291 356 A HN 2.488 nan 8.150 nan 0.000 0.404 357 A N 0.927 123.864 122.820 0.195 0.000 2.520 357 A HA 0.900 5.104 4.320 -0.195 0.000 0.298 357 A C -0.565 177.131 177.584 0.186 0.000 1.051 357 A CA -0.398 51.770 52.037 0.219 0.000 0.690 357 A CB 1.370 20.468 19.000 0.164 0.000 1.281 357 A HN 1.910 nan 8.150 nan 0.000 0.402 358 R N 0.132 120.739 120.500 0.179 0.000 2.771 358 R HA 0.840 5.064 4.340 -0.195 0.000 0.274 358 R C -1.156 175.224 176.300 0.133 0.000 0.987 358 R CA -0.193 56.008 56.100 0.169 0.000 0.908 358 R CB 1.869 32.268 30.300 0.166 0.000 1.213 358 R HN 0.718 nan 8.270 nan 0.000 0.468 359 S N 0.752 116.523 115.700 0.118 0.000 2.521 359 S HA 0.471 4.824 4.470 -0.195 0.000 0.295 359 S C -1.609 173.049 174.600 0.097 0.000 1.098 359 S CA -0.723 57.528 58.200 0.084 0.000 0.999 359 S CB 1.243 64.475 63.200 0.053 0.000 1.034 359 S HN 0.712 nan 8.310 nan 0.000 0.483 360 D N 2.280 122.731 120.400 0.085 0.000 2.505 360 D HA 0.410 4.934 4.640 -0.195 0.000 0.249 360 D C -1.648 174.710 176.300 0.097 0.000 1.082 360 D CA -0.451 53.614 54.000 0.108 0.000 0.839 360 D CB 1.385 42.263 40.800 0.131 0.000 1.317 360 D HN 0.300 nan 8.370 nan 0.000 0.497 361 D N 1.245 121.710 120.400 0.109 0.000 2.412 361 D HA 0.185 4.708 4.640 -0.195 0.000 0.224 361 D C -0.752 175.634 176.300 0.143 0.000 1.093 361 D CA -0.397 53.666 54.000 0.106 0.000 0.850 361 D CB 0.663 41.520 40.800 0.095 0.000 1.046 361 D HN 0.158 nan 8.370 nan 0.000 0.507 362 N N 0.859 119.669 118.700 0.182 0.000 2.430 362 N HA 0.031 4.654 4.740 -0.195 0.000 0.292 362 N C 1.012 176.633 175.510 0.185 0.000 1.051 362 N CA -0.238 52.943 53.050 0.219 0.000 0.917 362 N CB 1.384 40.077 38.487 0.344 0.000 1.164 362 N HN 0.237 nan 8.380 nan 0.000 0.484 363 S N 2.499 118.290 115.700 0.151 0.000 2.469 363 S HA -0.194 4.159 4.470 -0.195 0.000 0.238 363 S C 1.411 176.053 174.600 0.071 0.000 0.998 363 S CA 1.002 59.267 58.200 0.109 0.000 0.957 363 S CB 0.128 63.391 63.200 0.104 0.000 0.764 363 S HN 0.709 nan 8.310 nan 0.000 0.514 364 Q N -0.103 119.741 119.800 0.072 0.000 2.462 364 Q HA 0.390 4.613 4.340 -0.195 0.000 0.224 364 Q C 0.986 176.863 176.000 -0.206 0.000 0.911 364 Q CA 0.660 56.401 55.803 -0.104 0.000 0.925 364 Q CB -0.117 28.518 28.738 -0.172 0.000 1.063 364 Q HN 0.541 nan 8.270 nan 0.000 0.572 365 F N -0.158 119.887 119.950 0.159 0.000 2.721 365 F HA 0.498 4.909 4.527 -0.194 0.000 0.301 365 F C 1.235 177.186 175.800 0.252 0.000 1.096 365 F CA 0.575 58.714 58.000 0.231 0.000 1.308 365 F CB 0.869 40.041 39.000 0.287 0.000 1.086 365 F HN 0.242 nan 8.300 nan 0.000 0.587 366 G N 1.000 109.963 108.800 0.272 0.000 2.584 366 G HA2 -0.271 3.572 3.960 -0.195 0.000 0.229 366 G HA3 -0.271 3.572 3.960 -0.195 0.000 0.229 366 G C -0.406 174.501 174.900 0.011 0.000 1.320 366 G CA -0.737 44.425 45.100 0.103 0.000 0.891 366 G HN 0.281 nan 8.290 nan 0.000 0.573 367 R N 0.663 121.026 120.500 -0.229 0.000 2.265 367 R HA 0.577 4.800 4.340 -0.195 0.000 0.319 367 R C -0.698 175.219 176.300 -0.638 0.000 1.006 367 R CA -0.575 55.369 56.100 -0.261 0.000 0.880 367 R CB 0.357 30.563 30.300 -0.157 0.000 1.077 367 R HN 0.673 nan 8.270 nan 0.000 0.454 368 H N 1.813 120.786 119.070 -0.162 0.000 2.771 368 H HA 0.320 4.759 4.556 -0.195 0.000 0.361 368 H C -0.415 174.807 175.328 -0.177 0.000 1.108 368 H CA -0.763 55.101 56.048 -0.307 0.000 1.201 368 H CB 2.230 31.465 29.762 -0.879 0.000 1.681 368 H HN 0.849 nan 8.280 nan 0.000 0.534 369 G N 0.969 109.773 108.800 0.006 0.000 2.420 369 G HA2 0.544 4.387 3.960 -0.195 0.000 0.331 369 G HA3 0.544 4.387 3.960 -0.195 0.000 0.331 369 G C -0.374 174.610 174.900 0.139 0.000 1.168 369 G CA -0.549 44.594 45.100 0.072 0.000 0.936 369 G HN 0.593 nan 8.290 nan 0.000 0.479 370 T N -1.261 113.402 114.554 0.182 0.000 2.901 370 T HA 0.816 5.049 4.350 -0.195 0.000 0.293 370 T C -1.000 173.903 174.700 0.340 0.000 1.084 370 T CA -0.908 61.327 62.100 0.224 0.000 1.008 370 T CB 2.208 71.143 68.868 0.112 0.000 1.170 370 T HN 1.238 nan 8.240 nan 0.000 0.509 371 W N 0.170 121.495 121.300 0.041 0.000 3.146 371 W HA 0.711 5.246 4.660 -0.209 0.000 0.319 371 W C -2.363 174.181 176.519 0.041 0.000 1.258 371 W CA -1.140 56.236 57.345 0.052 0.000 1.189 371 W CB 0.853 30.360 29.460 0.078 0.000 1.412 371 W HN 0.795 nan 8.180 nan 0.000 0.567 372 Q N 1.572 121.427 119.800 0.090 0.000 2.418 372 Q HA 0.650 4.874 4.340 -0.195 0.000 0.282 372 Q C -0.553 175.537 176.000 0.149 0.000 1.044 372 Q CA -0.595 55.144 55.803 -0.107 0.000 0.813 372 Q CB 2.717 31.399 28.738 -0.094 0.000 1.428 372 Q HN 0.557 nan 8.270 nan 0.000 0.402 373 T N -2.420 112.209 114.554 0.125 0.000 2.900 373 T HA 0.904 5.137 4.350 -0.195 0.000 0.303 373 T C -0.699 174.088 174.700 0.145 0.000 1.142 373 T CA -0.773 61.453 62.100 0.210 0.000 1.007 373 T CB 1.723 70.798 68.868 0.344 0.000 1.156 373 T HN 0.306 nan 8.240 nan 0.000 0.490 374 S N 0.467 116.252 115.700 0.142 0.000 2.536 374 S HA 0.849 5.202 4.470 -0.195 0.000 0.287 374 S C -0.848 173.832 174.600 0.134 0.000 1.101 374 S CA -0.835 57.422 58.200 0.095 0.000 0.950 374 S CB 1.571 64.790 63.200 0.031 0.000 1.056 374 S HN 1.246 nan 8.310 nan 0.000 0.481 375 A N 1.839 124.714 122.820 0.092 0.000 2.343 375 A HA 0.848 5.051 4.320 -0.195 0.000 0.308 375 A C -0.006 177.557 177.584 -0.035 0.000 1.092 375 A CA -0.658 51.401 52.037 0.035 0.000 0.751 375 A CB 1.115 20.239 19.000 0.207 0.000 1.203 375 A HN 0.901 nan 8.150 nan 0.000 0.452 376 G N 0.309 109.043 108.800 -0.111 0.000 2.448 376 G HA2 0.557 4.401 3.960 -0.195 0.000 0.324 376 G HA3 0.557 4.401 3.960 -0.195 0.000 0.324 376 G C -1.576 173.364 174.900 0.066 0.000 1.203 376 G CA -0.469 44.606 45.100 -0.041 0.000 0.954 376 G HN 0.801 nan 8.290 nan 0.000 0.480 377 W N 1.826 123.065 121.300 -0.102 0.000 2.781 377 W HA 0.548 5.171 4.660 -0.061 0.000 0.333 377 W C -0.708 175.730 176.519 -0.135 0.000 1.047 377 W CA -1.583 55.606 57.345 -0.261 0.000 1.236 377 W CB 1.728 31.119 29.460 -0.115 0.000 1.394 377 W HN 0.510 nan 8.180 nan 0.000 0.466 378 E N 5.443 125.459 120.200 -0.307 0.000 2.014 378 E HA 0.159 4.392 4.350 -0.195 0.000 0.275 378 E C 0.388 176.537 176.600 -0.752 0.000 0.997 378 E CA -0.336 55.775 56.400 -0.483 0.000 0.804 378 E CB 0.105 29.615 29.700 -0.318 0.000 1.090 378 E HN 0.433 nan 8.360 nan 0.000 0.401 379 F N 3.632 123.064 119.950 -0.863 0.000 2.619 379 F HA 0.394 4.799 4.527 -0.205 0.000 0.293 379 F C 0.203 175.704 175.800 -0.499 0.000 1.119 379 F CA -0.379 56.902 58.000 -1.199 0.000 1.445 379 F CB 0.299 38.334 39.000 -1.608 0.000 1.119 379 F HN 0.107 nan 8.300 nan 0.000 0.573 380 I N -0.192 120.067 120.570 -0.518 0.000 2.686 380 I HA 0.170 4.223 4.170 -0.195 0.000 0.295 380 I C -0.463 175.539 176.117 -0.191 0.000 1.114 380 I CA -1.150 60.025 61.300 -0.209 0.000 1.038 380 I CB 2.264 40.197 38.000 -0.112 0.000 1.238 380 I HN -0.261 nan 8.210 nan 0.000 0.420 381 E N 2.804 122.952 120.200 -0.086 0.000 2.529 381 E HA 0.222 4.455 4.350 -0.195 0.000 0.259 381 E C 1.054 177.597 176.600 -0.095 0.000 0.966 381 E CA 1.292 57.636 56.400 -0.094 0.000 0.937 381 E CB 0.525 30.195 29.700 -0.051 0.000 0.923 381 E HN 1.053 nan 8.360 nan 0.000 0.468 382 G N 3.004 111.667 108.800 -0.227 0.000 2.234 382 G HA2 -0.315 3.528 3.960 -0.195 0.000 0.260 382 G HA3 -0.315 3.528 3.960 -0.195 0.000 0.260 382 G C -0.044 174.457 174.900 -0.664 0.000 0.987 382 G CA 0.538 45.393 45.100 -0.407 0.000 0.625 382 G HN 0.635 nan 8.290 nan 0.000 0.532 383 Y N 0.785 120.807 120.300 -0.464 0.000 2.364 383 Y HA 0.754 5.185 4.550 -0.198 0.000 0.340 383 Y C 0.824 176.233 175.900 -0.818 0.000 0.975 383 Y CA -0.944 56.791 58.100 -0.608 0.000 1.089 383 Y CB 1.424 39.514 38.460 -0.615 0.000 1.192 383 Y HN 0.123 nan 8.280 nan 0.000 0.454 384 R N 2.412 122.707 120.500 -0.343 0.000 2.750 384 R HA 0.489 4.712 4.340 -0.195 0.000 0.281 384 R C -1.836 174.599 176.300 0.223 0.000 0.972 384 R CA -1.055 54.945 56.100 -0.166 0.000 0.912 384 R CB 2.410 32.610 30.300 -0.166 0.000 1.187 384 R HN 0.582 nan 8.270 nan 0.000 0.464 385 F N 3.198 123.270 119.950 0.204 0.000 2.444 385 F HA 0.551 4.946 4.527 -0.220 0.000 0.342 385 F C -0.871 174.930 175.800 0.002 0.000 1.121 385 F CA -0.863 57.111 58.000 -0.044 0.000 0.997 385 F CB 0.896 39.818 39.000 -0.130 0.000 1.130 385 F HN 0.323 nan 8.300 nan 0.000 0.454 386 I N 5.967 126.060 120.570 -0.796 0.000 2.447 386 I HA 0.595 4.649 4.170 -0.195 0.000 0.287 386 I C -0.640 174.977 176.117 -0.834 0.000 1.023 386 I CA -0.859 60.083 61.300 -0.597 0.000 1.083 386 I CB 1.712 39.522 38.000 -0.315 0.000 1.245 386 I HN 0.739 nan 8.210 nan 0.000 0.434 387 A N 4.651 127.168 122.820 -0.504 0.000 2.337 387 A HA 0.914 5.117 4.320 -0.195 0.000 0.329 387 A C -0.293 177.264 177.584 -0.045 0.000 1.146 387 A CA -0.408 51.489 52.037 -0.233 0.000 0.800 387 A CB 1.399 20.412 19.000 0.022 0.000 1.220 387 A HN 0.749 nan 8.150 nan 0.000 0.472 388 S N 0.739 116.458 115.700 0.032 0.000 2.550 388 S HA 0.711 5.064 4.470 -0.195 0.000 0.270 388 S C -1.359 173.337 174.600 0.159 0.000 1.145 388 S CA -0.568 57.676 58.200 0.075 0.000 0.852 388 S CB 1.260 64.465 63.200 0.008 0.000 1.119 388 S HN 1.552 nan 8.310 nan 0.000 0.465 389 Y N 0.546 120.826 120.300 -0.033 0.000 2.504 389 Y HA 0.738 5.172 4.550 -0.193 0.000 0.344 389 Y C -0.309 175.444 175.900 -0.245 0.000 1.023 389 Y CA 0.315 58.362 58.100 -0.088 0.000 1.020 389 Y CB 1.741 40.133 38.460 -0.114 0.000 1.282 389 Y HN 1.359 nan 8.280 nan 0.000 0.454 390 G N 1.670 109.819 108.800 -1.085 0.000 2.623 390 G HA2 0.511 4.354 3.960 -0.195 0.000 0.290 390 G HA3 0.511 4.354 3.960 -0.195 0.000 0.290 390 G C -1.397 172.886 174.900 -1.028 0.000 1.437 390 G CA -0.444 44.024 45.100 -1.053 0.000 0.798 390 G HN 0.826 nan 8.290 nan 0.000 0.488 391 T N -2.016 112.100 114.554 -0.731 0.000 2.950 391 T HA 0.870 5.104 4.350 -0.195 0.000 0.288 391 T C 0.153 174.729 174.700 -0.207 0.000 1.035 391 T CA 0.112 61.977 62.100 -0.393 0.000 1.028 391 T CB 1.711 70.444 68.868 -0.226 0.000 1.109 391 T HN 1.820 nan 8.240 nan 0.000 0.514 392 S N 0.159 115.793 115.700 -0.110 0.000 2.625 392 S HA 0.683 5.037 4.470 -0.195 0.000 0.271 392 S C -1.831 172.786 174.600 0.028 0.000 1.161 392 S CA -1.048 57.123 58.200 -0.049 0.000 0.820 392 S CB 1.504 64.638 63.200 -0.110 0.000 1.137 392 S HN 1.234 nan 8.310 nan 0.000 0.470 393 Y N 0.435 120.662 120.300 -0.122 0.000 2.348 393 Y HA 0.637 5.070 4.550 -0.195 0.000 0.321 393 Y C -1.457 174.338 175.900 -0.175 0.000 1.163 393 Y CA -0.420 57.593 58.100 -0.145 0.000 1.070 393 Y CB 1.311 39.702 38.460 -0.115 0.000 1.250 393 Y HN 0.988 nan 8.280 nan 0.000 0.425 394 K N 5.469 125.385 120.400 -0.806 0.000 2.545 394 K HA 0.837 5.040 4.320 -0.195 0.000 0.252 394 K C -1.278 174.796 176.600 -0.875 0.000 0.948 394 K CA -0.623 55.269 56.287 -0.657 0.000 0.827 394 K CB 1.266 33.554 32.500 -0.354 0.000 1.128 394 K HN 0.781 nan 8.250 nan 0.000 0.429 395 A N 4.882 127.153 122.820 -0.915 0.000 2.340 395 A HA 0.489 4.692 4.320 -0.195 0.000 0.268 395 A C -2.347 174.851 177.584 -0.642 0.000 1.100 395 A CA -1.323 50.087 52.037 -1.045 0.000 0.803 395 A CB -0.122 18.014 19.000 -1.440 0.000 1.043 395 A HN 0.533 nan 8.150 nan 0.000 0.488 396 P HA 0.083 nan 4.420 nan 0.000 0.267 396 P C -0.303 176.897 177.300 -0.167 0.000 1.200 396 P CA -0.175 62.772 63.100 -0.256 0.000 0.772 396 P CB 0.273 31.889 31.700 -0.140 0.000 0.855 397 N N 1.613 120.219 118.700 -0.156 0.000 2.416 397 N HA -0.018 4.605 4.740 -0.195 0.000 0.246 397 N C 0.690 176.100 175.510 -0.166 0.000 1.260 397 N CA 0.045 53.022 53.050 -0.121 0.000 0.897 397 N CB 0.055 38.487 38.487 -0.091 0.000 1.110 397 N HN 0.291 nan 8.380 nan 0.000 0.439 398 L N 0.738 121.770 121.223 -0.318 0.000 2.291 398 L HA 0.048 4.271 4.340 -0.195 0.000 0.214 398 L C 2.262 179.000 176.870 -0.220 0.000 1.120 398 L CA 0.921 55.540 54.840 -0.369 0.000 0.799 398 L CB -0.868 40.710 42.059 -0.801 0.000 0.925 398 L HN 0.934 nan 8.230 nan 0.000 0.446 399 G N -0.299 108.420 108.800 -0.134 0.000 2.440 399 G HA2 -0.287 3.557 3.960 -0.195 0.000 0.218 399 G HA3 -0.287 3.557 3.960 -0.195 0.000 0.218 399 G C 1.447 176.359 174.900 0.020 0.000 1.154 399 G CA 0.378 45.523 45.100 0.074 0.000 0.767 399 G HN 0.401 nan 8.290 nan 0.000 0.552 400 Q N -0.455 119.244 119.800 -0.168 0.000 2.291 400 Q HA 0.157 4.381 4.340 -0.195 0.000 0.205 400 Q C 2.522 178.414 176.000 -0.181 0.000 0.970 400 Q CA 0.387 56.010 55.803 -0.299 0.000 0.876 400 Q CB -0.063 28.341 28.738 -0.557 0.000 0.935 400 Q HN 0.459 nan 8.270 nan 0.000 0.455 401 L N -1.652 119.406 121.223 -0.274 0.000 2.145 401 L HA -0.047 4.176 4.340 -0.195 0.000 0.201 401 L C 1.195 177.774 176.870 -0.485 0.000 1.075 401 L CA 1.001 55.529 54.840 -0.520 0.000 0.773 401 L CB -0.008 41.424 42.059 -1.046 0.000 0.936 401 L HN 0.231 nan 8.230 nan 0.000 0.451 402 Y N -0.710 119.599 120.300 0.014 0.000 2.426 402 Y HA 0.338 4.771 4.550 -0.194 0.000 0.249 402 Y C 1.441 177.393 175.900 0.086 0.000 1.103 402 Y CA -0.577 57.543 58.100 0.033 0.000 1.256 402 Y CB -0.289 38.181 38.460 0.018 0.000 1.208 402 Y HN -0.050 nan 8.280 nan 0.000 0.519 403 G N -0.820 108.139 108.800 0.264 0.000 2.508 403 G HA2 0.060 3.903 3.960 -0.195 0.000 0.278 403 G HA3 0.060 3.903 3.960 -0.195 0.000 0.278 403 G C 0.653 175.696 174.900 0.240 0.000 1.389 403 G CA -0.342 44.942 45.100 0.306 0.000 1.050 403 G HN 0.193 nan 8.290 nan 0.000 0.522 404 F N -0.840 119.156 119.950 0.077 0.000 2.154 404 F HA -0.143 4.267 4.527 -0.195 0.000 0.301 404 F C 1.720 177.359 175.800 -0.270 0.000 1.087 404 F CA 1.509 59.394 58.000 -0.191 0.000 1.274 404 F CB 0.021 38.748 39.000 -0.455 0.000 1.009 404 F HN 0.296 nan 8.300 nan 0.000 0.485 405 Y N -0.120 120.308 120.300 0.213 0.000 2.493 405 Y HA 0.344 4.778 4.550 -0.194 0.000 0.275 405 Y C 1.202 177.215 175.900 0.188 0.000 1.183 405 Y CA -0.142 58.074 58.100 0.194 0.000 1.258 405 Y CB -0.452 38.258 38.460 0.417 0.000 1.108 405 Y HN -0.041 nan 8.280 nan 0.000 0.521 406 G N 0.340 109.243 108.800 0.172 0.000 2.437 406 G HA2 0.308 4.151 3.960 -0.195 0.000 0.319 406 G HA3 0.308 4.151 3.960 -0.195 0.000 0.319 406 G C -0.980 173.896 174.900 -0.040 0.000 1.158 406 G CA -0.608 44.547 45.100 0.091 0.000 0.899 406 G HN 0.139 nan 8.290 nan 0.000 0.502 407 N N 0.846 119.489 118.700 -0.095 0.000 2.577 407 N HA 0.343 4.966 4.740 -0.195 0.000 0.275 407 N C -1.976 173.453 175.510 -0.135 0.000 1.091 407 N CA -2.227 50.739 53.050 -0.139 0.000 0.843 407 N CB 2.641 40.987 38.487 -0.236 0.000 1.295 407 N HN 0.045 nan 8.380 nan 0.000 0.530 408 P HA 0.028 nan 4.420 nan 0.000 0.230 408 P C -0.227 177.023 177.300 -0.082 0.000 1.158 408 P CA 0.923 63.929 63.100 -0.158 0.000 0.769 408 P CB 0.214 31.924 31.700 0.016 0.000 0.807 409 N N -0.753 117.929 118.700 -0.029 0.000 2.295 409 N HA 0.129 4.753 4.740 -0.195 0.000 0.221 409 N C 0.194 175.722 175.510 0.030 0.000 1.129 409 N CA -0.213 52.846 53.050 0.016 0.000 0.836 409 N CB -0.184 38.327 38.487 0.039 0.000 1.040 409 N HN 0.105 nan 8.380 nan 0.000 0.494 410 L N 1.170 122.394 121.223 0.001 0.000 2.499 410 L HA 0.009 4.232 4.340 -0.195 0.000 0.273 410 L C 0.126 177.039 176.870 0.073 0.000 1.195 410 L CA 0.496 55.352 54.840 0.026 0.000 0.882 410 L CB 0.343 42.394 42.059 -0.013 0.000 1.133 410 L HN 0.200 nan 8.230 nan 0.000 0.483 411 D N 5.297 125.734 120.400 0.063 0.000 2.283 411 D HA 0.274 4.797 4.640 -0.195 0.000 0.248 411 D C -2.122 174.154 176.300 -0.041 0.000 1.072 411 D CA -1.135 52.900 54.000 0.059 0.000 0.929 411 D CB 1.112 41.950 40.800 0.063 0.000 1.182 411 D HN 0.276 nan 8.370 nan 0.000 0.433 412 P HA 0.041 nan 4.420 nan 0.000 0.269 412 P C -0.497 176.634 177.300 -0.281 0.000 1.209 412 P CA -0.034 62.835 63.100 -0.385 0.000 0.776 412 P CB 0.727 32.067 31.700 -0.599 0.000 0.876 413 E N 2.082 122.088 120.200 -0.324 0.000 2.316 413 E HA 0.173 4.407 4.350 -0.195 0.000 0.275 413 E C -0.036 176.412 176.600 -0.253 0.000 1.029 413 E CA -0.103 56.167 56.400 -0.216 0.000 0.871 413 E CB 0.599 30.198 29.700 -0.167 0.000 1.022 413 E HN 0.288 nan 8.360 nan 0.000 0.418 414 K N 1.482 121.810 120.400 -0.120 0.000 2.316 414 K HA 0.439 4.642 4.320 -0.195 0.000 0.251 414 K C -0.853 175.712 176.600 -0.059 0.000 0.934 414 K CA -0.693 55.564 56.287 -0.051 0.000 0.802 414 K CB 2.223 34.752 32.500 0.049 0.000 1.171 414 K HN 0.285 nan 8.250 nan 0.000 0.426 415 S N 1.149 116.807 115.700 -0.069 0.000 2.594 415 S HA 0.347 4.700 4.470 -0.195 0.000 0.296 415 S C -1.326 173.215 174.600 -0.098 0.000 1.124 415 S CA -0.676 57.468 58.200 -0.094 0.000 1.011 415 S CB 0.866 63.973 63.200 -0.154 0.000 1.016 415 S HN 0.313 nan 8.310 nan 0.000 0.485 416 K N 2.977 123.339 120.400 -0.064 0.000 2.207 416 K HA 0.649 4.852 4.320 -0.195 0.000 0.255 416 K C -0.730 175.812 176.600 -0.095 0.000 0.941 416 K CA -0.848 55.381 56.287 -0.097 0.000 0.825 416 K CB 1.749 34.305 32.500 0.094 0.000 1.119 416 K HN 0.814 nan 8.250 nan 0.000 0.430 417 Q N 1.053 120.717 119.800 -0.227 0.000 2.295 417 Q HA 0.558 4.782 4.340 -0.195 0.000 0.268 417 Q C -1.860 174.097 176.000 -0.071 0.000 1.010 417 Q CA -0.699 55.000 55.803 -0.174 0.000 0.856 417 Q CB 1.357 29.965 28.738 -0.217 0.000 1.349 417 Q HN 0.806 nan 8.270 nan 0.000 0.412 418 W N 1.787 123.120 121.300 0.055 0.000 2.962 418 W HA 0.822 5.368 4.660 -0.191 0.000 0.341 418 W C -1.136 175.463 176.519 0.134 0.000 1.155 418 W CA -0.803 56.617 57.345 0.124 0.000 1.165 418 W CB 1.268 30.867 29.460 0.232 0.000 1.435 418 W HN 0.641 nan 8.180 nan 0.000 0.546 419 E N 0.614 120.967 120.200 0.255 0.000 2.352 419 E HA 0.570 4.803 4.350 -0.195 0.000 0.280 419 E C -1.204 175.477 176.600 0.135 0.000 0.930 419 E CA -0.884 55.627 56.400 0.184 0.000 0.765 419 E CB 2.065 31.829 29.700 0.107 0.000 1.219 419 E HN 0.895 nan 8.360 nan 0.000 0.434 420 G N 1.458 110.346 108.800 0.146 0.000 2.666 420 G HA2 0.724 4.567 3.960 -0.195 0.000 0.303 420 G HA3 0.724 4.567 3.960 -0.195 0.000 0.303 420 G C -1.404 173.527 174.900 0.052 0.000 1.412 420 G CA -0.210 44.920 45.100 0.051 0.000 0.979 420 G HN 0.496 nan 8.290 nan 0.000 0.507 421 A N 1.785 124.468 122.820 -0.228 0.000 2.414 421 A HA 0.864 5.067 4.320 -0.195 0.000 0.306 421 A C -1.484 176.041 177.584 -0.098 0.000 1.054 421 A CA -0.658 51.361 52.037 -0.030 0.000 0.724 421 A CB 1.256 20.233 19.000 -0.039 0.000 1.267 421 A HN 0.573 nan 8.150 nan 0.000 0.418 422 F N 0.985 121.121 119.950 0.309 0.000 2.443 422 F HA 0.542 4.959 4.527 -0.185 0.000 0.335 422 F C 0.667 176.523 175.800 0.094 0.000 1.104 422 F CA -0.056 58.161 58.000 0.362 0.000 1.013 422 F CB 2.129 41.500 39.000 0.619 0.000 1.136 422 F HN 0.712 nan 8.300 nan 0.000 0.470 423 E N 1.171 121.325 120.200 -0.076 0.000 2.343 423 E HA 0.893 5.126 4.350 -0.195 0.000 0.270 423 E C -0.833 175.116 176.600 -1.086 0.000 0.895 423 E CA -1.398 54.651 56.400 -0.585 0.000 0.767 423 E CB 2.637 32.138 29.700 -0.331 0.000 1.248 423 E HN 0.730 nan 8.360 nan 0.000 0.440 424 G N 0.465 108.235 108.800 -1.715 0.000 2.660 424 G HA2 0.501 4.345 3.960 -0.195 0.000 0.290 424 G HA3 0.501 4.345 3.960 -0.195 0.000 0.290 424 G C -2.111 172.106 174.900 -1.137 0.000 1.432 424 G CA -0.864 43.304 45.100 -1.554 0.000 0.807 424 G HN 0.381 nan 8.290 nan 0.000 0.485 425 L N 0.442 121.154 121.223 -0.851 0.000 2.372 425 L HA 0.831 5.054 4.340 -0.195 0.000 0.274 425 L C -0.637 176.127 176.870 -0.177 0.000 0.988 425 L CA -0.328 54.281 54.840 -0.385 0.000 0.833 425 L CB 2.011 43.879 42.059 -0.317 0.000 1.236 425 L HN 0.470 nan 8.230 nan 0.000 0.410 426 T N 4.615 119.244 114.554 0.126 0.000 2.965 426 T HA 0.632 4.865 4.350 -0.195 0.000 0.306 426 T C 0.198 174.980 174.700 0.137 0.000 0.991 426 T CA 0.056 62.304 62.100 0.247 0.000 1.001 426 T CB 1.380 70.534 68.868 0.476 0.000 0.984 426 T HN 1.149 nan 8.240 nan 0.000 0.446 427 A N 2.153 125.025 122.820 0.086 0.000 2.687 427 A HA 0.096 4.300 4.320 -0.195 0.000 0.299 427 A C 1.672 179.281 177.584 0.042 0.000 1.497 427 A CA 1.381 53.446 52.037 0.046 0.000 0.751 427 A CB -1.991 17.020 19.000 0.019 0.000 1.048 427 A HN 2.461 nan 8.150 nan 0.000 0.464 428 G N -3.565 105.268 108.800 0.055 0.000 2.179 428 G HA2 -0.004 3.839 3.960 -0.195 0.000 0.260 428 G HA3 -0.004 3.839 3.960 -0.195 0.000 0.260 428 G C 0.288 175.263 174.900 0.125 0.000 0.977 428 G CA 0.496 45.643 45.100 0.078 0.000 0.641 428 G HN 1.928 nan 8.290 nan 0.000 0.533 429 V N 1.714 121.702 119.914 0.122 0.000 2.347 429 V HA 0.393 4.397 4.120 -0.195 0.000 0.280 429 V C 0.030 176.247 176.094 0.204 0.000 1.021 429 V CA -1.247 61.169 62.300 0.193 0.000 0.847 429 V CB 1.536 33.424 31.823 0.109 0.000 0.990 429 V HN 0.297 nan 8.190 nan 0.000 0.444 430 N N 6.761 125.559 118.700 0.162 0.000 2.406 430 N HA 0.276 4.899 4.740 -0.195 0.000 0.251 430 N C -0.728 174.873 175.510 0.152 0.000 1.069 430 N CA -0.161 52.917 53.050 0.047 0.000 0.947 430 N CB 1.087 39.584 38.487 0.018 0.000 1.111 430 N HN 0.844 nan 8.380 nan 0.000 0.497 431 W N 2.223 123.544 121.300 0.035 0.000 2.864 431 W HA 0.623 5.166 4.660 -0.195 0.000 0.343 431 W C -0.829 175.734 176.519 0.074 0.000 1.109 431 W CA -0.955 56.428 57.345 0.064 0.000 1.192 431 W CB 1.360 30.858 29.460 0.064 0.000 1.426 431 W HN 0.230 nan 8.180 nan 0.000 0.529 432 R N 2.256 122.989 120.500 0.390 0.000 2.604 432 R HA 0.658 4.881 4.340 -0.195 0.000 0.281 432 R C -1.731 174.839 176.300 0.451 0.000 1.020 432 R CA -0.646 55.643 56.100 0.316 0.000 0.899 432 R CB 2.163 32.541 30.300 0.131 0.000 1.205 432 R HN 0.688 nan 8.270 nan 0.000 0.450 433 I N 2.707 123.583 120.570 0.509 0.000 2.534 433 I HA 0.353 4.406 4.170 -0.195 0.000 0.288 433 I C -0.617 175.733 176.117 0.388 0.000 1.077 433 I CA -0.728 60.821 61.300 0.414 0.000 1.051 433 I CB 2.250 40.475 38.000 0.375 0.000 1.234 433 I HN 0.695 nan 8.210 nan 0.000 0.425 434 S N 3.246 119.133 115.700 0.311 0.000 2.569 434 S HA 0.915 5.268 4.470 -0.195 0.000 0.280 434 S C -0.558 174.210 174.600 0.279 0.000 1.111 434 S CA -0.814 57.559 58.200 0.288 0.000 0.887 434 S CB 2.176 65.510 63.200 0.223 0.000 1.095 434 S HN 0.839 nan 8.310 nan 0.000 0.476 435 G N 0.753 109.706 108.800 0.254 0.000 2.452 435 G HA2 0.706 4.550 3.960 -0.195 0.000 0.324 435 G HA3 0.706 4.550 3.960 -0.195 0.000 0.324 435 G C -1.362 173.662 174.900 0.206 0.000 1.214 435 G CA -0.962 44.240 45.100 0.171 0.000 0.947 435 G HN 1.068 nan 8.290 nan 0.000 0.478 436 Y N -0.430 119.921 120.300 0.086 0.000 2.553 436 Y HA 0.858 5.290 4.550 -0.197 0.000 0.347 436 Y C -0.545 175.326 175.900 -0.048 0.000 1.019 436 Y CA -1.714 56.394 58.100 0.012 0.000 1.032 436 Y CB 1.894 40.355 38.460 0.001 0.000 1.284 436 Y HN 0.688 nan 8.280 nan 0.000 0.466 437 R N 2.488 122.980 120.500 -0.013 0.000 2.686 437 R HA 0.555 4.778 4.340 -0.195 0.000 0.283 437 R C -2.140 174.096 176.300 -0.106 0.000 0.978 437 R CA -0.634 55.387 56.100 -0.132 0.000 0.897 437 R CB 1.589 31.693 30.300 -0.327 0.000 1.192 437 R HN 0.859 nan 8.270 nan 0.000 0.457 438 N N 2.405 121.102 118.700 -0.004 0.000 2.461 438 N HA 0.254 4.877 4.740 -0.195 0.000 0.284 438 N C -1.885 173.626 175.510 0.002 0.000 1.049 438 N CA -0.551 52.494 53.050 -0.008 0.000 0.889 438 N CB 1.733 40.243 38.487 0.038 0.000 1.365 438 N HN 0.571 nan 8.380 nan 0.000 0.499 439 D N 2.213 122.612 120.400 -0.002 0.000 2.427 439 D HA 0.249 4.772 4.640 -0.195 0.000 0.226 439 D C -0.422 175.882 176.300 0.007 0.000 1.076 439 D CA -0.135 53.878 54.000 0.022 0.000 0.849 439 D CB 1.620 42.450 40.800 0.051 0.000 1.052 439 D HN 0.123 nan 8.370 nan 0.000 0.515 440 V N 2.403 122.320 119.914 0.006 0.000 2.333 440 V HA 0.242 4.245 4.120 -0.195 0.000 0.274 440 V C 0.585 176.685 176.094 0.010 0.000 1.028 440 V CA -0.497 61.795 62.300 -0.013 0.000 0.851 440 V CB 1.348 33.166 31.823 -0.008 0.000 1.000 440 V HN 0.371 nan 8.190 nan 0.000 0.456 441 S N 3.310 119.012 115.700 0.005 0.000 2.586 441 S HA 0.311 4.664 4.470 -0.195 0.000 0.274 441 S C 0.410 175.019 174.600 0.015 0.000 1.281 441 S CA -0.359 57.854 58.200 0.022 0.000 1.035 441 S CB 0.495 63.714 63.200 0.030 0.000 0.962 441 S HN 0.931 nan 8.310 nan 0.000 0.512 442 D N 0.537 120.956 120.400 0.031 0.000 2.800 442 D HA -0.151 4.372 4.640 -0.195 0.000 0.232 442 D C -0.343 175.982 176.300 0.041 0.000 1.137 442 D CA 0.234 54.255 54.000 0.035 0.000 0.718 442 D CB -1.109 39.704 40.800 0.023 0.000 1.084 442 D HN 0.387 nan 8.370 nan 0.000 0.432 443 L N 0.858 122.116 121.223 0.057 0.000 2.640 443 L HA -0.026 4.198 4.340 -0.195 0.000 0.280 443 L C 0.491 177.420 176.870 0.099 0.000 1.229 443 L CA 0.914 55.806 54.840 0.087 0.000 0.919 443 L CB 0.226 42.338 42.059 0.089 0.000 1.168 443 L HN 0.072 nan 8.230 nan 0.000 0.496 444 I N 5.106 125.743 120.570 0.113 0.000 2.342 444 I HA 0.256 4.309 4.170 -0.195 0.000 0.291 444 I C -0.070 176.157 176.117 0.184 0.000 1.010 444 I CA -0.214 61.172 61.300 0.144 0.000 1.308 444 I CB 1.102 39.166 38.000 0.108 0.000 1.400 444 I HN 0.600 nan 8.210 nan 0.000 0.488 445 D N 4.606 125.141 120.400 0.225 0.000 2.531 445 D HA 0.276 4.800 4.640 -0.195 0.000 0.244 445 D C -1.497 174.938 176.300 0.226 0.000 1.090 445 D CA -0.432 53.701 54.000 0.222 0.000 0.989 445 D CB 2.114 43.002 40.800 0.145 0.000 1.433 445 D HN 0.268 nan 8.370 nan 0.000 0.492 446 Y N 1.175 121.434 120.300 -0.068 0.000 2.320 446 Y HA 0.342 4.775 4.550 -0.195 0.000 0.334 446 Y C -0.597 175.254 175.900 -0.082 0.000 1.055 446 Y CA -0.518 57.368 58.100 -0.356 0.000 1.143 446 Y CB 1.076 39.206 38.460 -0.550 0.000 1.193 446 Y HN 0.085 nan 8.280 nan 0.000 0.477 447 D N 4.906 124.976 120.400 -0.551 0.000 2.329 447 D HA 0.111 4.634 4.640 -0.195 0.000 0.232 447 D C -0.008 175.975 176.300 -0.529 0.000 1.088 447 D CA -0.161 53.657 54.000 -0.304 0.000 0.835 447 D CB 1.176 41.974 40.800 -0.004 0.000 1.078 447 D HN 0.729 nan 8.370 nan 0.000 0.495 448 D N 2.530 122.822 120.400 -0.180 0.000 2.144 448 D HA -0.159 4.365 4.640 -0.195 0.000 0.200 448 D C 1.818 178.173 176.300 0.091 0.000 0.978 448 D CA 1.568 55.611 54.000 0.072 0.000 0.833 448 D CB -0.237 40.816 40.800 0.421 0.000 0.961 448 D HN 0.776 nan 8.370 nan 0.000 0.470 449 H N 0.515 119.628 119.070 0.071 0.000 2.256 449 H HA -0.063 4.376 4.556 -0.195 0.000 0.299 449 H C 2.330 177.662 175.328 0.008 0.000 1.071 449 H CA 2.502 58.593 56.048 0.071 0.000 1.280 449 H CB -1.289 28.511 29.762 0.064 0.000 1.370 449 H HN 0.328 nan 8.280 nan 0.000 0.490 450 T N -0.966 113.583 114.554 -0.009 0.000 3.100 450 T HA 0.281 4.514 4.350 -0.195 0.000 0.253 450 T C 0.968 175.655 174.700 -0.022 0.000 1.118 450 T CA 0.512 62.617 62.100 0.008 0.000 1.058 450 T CB -0.752 68.167 68.868 0.085 0.000 0.953 450 T HN 0.887 nan 8.240 nan 0.000 0.515 451 L N -0.161 121.007 121.223 -0.092 0.000 3.660 451 L HA -0.189 4.035 4.340 -0.195 0.000 0.440 451 L C -0.172 176.721 176.870 0.038 0.000 1.262 451 L CA 0.613 55.441 54.840 -0.021 0.000 0.837 451 L CB -1.997 40.219 42.059 0.261 0.000 1.689 451 L HN 0.439 nan 8.230 nan 0.000 0.890 452 K N -0.782 119.500 120.400 -0.197 0.000 2.508 452 K HA 0.598 4.801 4.320 -0.195 0.000 0.260 452 K C -0.928 175.459 176.600 -0.355 0.000 0.949 452 K CA -0.915 55.263 56.287 -0.181 0.000 0.834 452 K CB 2.064 34.381 32.500 -0.306 0.000 1.365 452 K HN -0.128 nan 8.250 nan 0.000 0.437 453 Y N 0.812 120.997 120.300 -0.190 0.000 2.309 453 Y HA 0.281 4.714 4.550 -0.195 0.000 0.327 453 Y C -0.294 175.325 175.900 -0.469 0.000 1.172 453 Y CA 0.356 58.376 58.100 -0.134 0.000 1.280 453 Y CB 0.622 39.076 38.460 -0.010 0.000 1.234 453 Y HN 0.377 nan 8.280 nan 0.000 0.512 454 Y N -0.265 120.137 120.300 0.171 0.000 2.615 454 Y HA 0.313 4.746 4.550 -0.195 0.000 0.341 454 Y C -0.699 175.257 175.900 0.093 0.000 1.089 454 Y CA -1.638 56.521 58.100 0.098 0.000 1.049 454 Y CB 1.358 39.841 38.460 0.038 0.000 1.296 454 Y HN 0.482 nan 8.280 nan 0.000 0.470 455 N N 0.462 119.314 118.700 0.254 0.000 2.488 455 N HA 0.437 5.060 4.740 -0.195 0.000 0.274 455 N C 0.208 175.797 175.510 0.132 0.000 1.111 455 N CA 0.184 53.327 53.050 0.154 0.000 0.974 455 N CB 0.937 39.488 38.487 0.108 0.000 1.089 455 N HN 0.854 nan 8.380 nan 0.000 0.465 456 E N 1.258 121.518 120.200 0.099 0.000 2.651 456 E HA 0.427 4.660 4.350 -0.195 0.000 0.208 456 E C 0.904 177.530 176.600 0.044 0.000 0.997 456 E CA -0.144 56.295 56.400 0.064 0.000 1.020 456 E CB -0.251 29.488 29.700 0.066 0.000 1.052 456 E HN 0.885 nan 8.360 nan 0.000 0.465 457 G N -0.978 107.850 108.800 0.048 0.000 2.601 457 G HA2 0.397 4.241 3.960 -0.195 0.000 0.224 457 G HA3 0.397 4.241 3.960 -0.195 0.000 0.224 457 G C 0.395 175.320 174.900 0.041 0.000 1.171 457 G CA 0.292 45.415 45.100 0.038 0.000 1.009 457 G HN 1.407 nan 8.290 nan 0.000 0.589 458 K N -0.865 119.557 120.400 0.037 0.000 2.375 458 K HA 1.075 5.278 4.320 -0.195 0.000 0.249 458 K C -0.116 176.507 176.600 0.038 0.000 0.942 458 K CA 0.631 56.941 56.287 0.038 0.000 0.806 458 K CB 1.813 34.335 32.500 0.037 0.000 1.227 458 K HN 2.407 nan 8.250 nan 0.000 0.430 459 A N 0.554 123.401 122.820 0.044 0.000 2.337 459 A HA 0.813 5.016 4.320 -0.195 0.000 0.329 459 A C -0.248 177.359 177.584 0.040 0.000 1.146 459 A CA -0.684 51.380 52.037 0.045 0.000 0.800 459 A CB 1.206 20.245 19.000 0.064 0.000 1.220 459 A HN 1.079 nan 8.150 nan 0.000 0.472 460 R N 2.772 123.292 120.500 0.033 0.000 2.439 460 R HA 0.676 4.899 4.340 -0.195 0.000 0.310 460 R C -1.684 174.633 176.300 0.029 0.000 0.955 460 R CA -0.306 55.812 56.100 0.031 0.000 0.853 460 R CB 0.218 30.536 30.300 0.029 0.000 1.171 460 R HN 0.731 nan 8.270 nan 0.000 0.449 461 I N 4.136 124.728 120.570 0.036 0.000 2.389 461 I HA 0.492 4.546 4.170 -0.195 0.000 0.288 461 I C 0.017 176.140 176.117 0.010 0.000 0.999 461 I CA -0.690 60.638 61.300 0.046 0.000 1.129 461 I CB 2.130 40.199 38.000 0.114 0.000 1.288 461 I HN 0.481 nan 8.210 nan 0.000 0.444 462 K N 4.270 124.639 120.400 -0.051 0.000 2.316 462 K HA 0.844 5.047 4.320 -0.195 0.000 0.251 462 K C -0.320 176.088 176.600 -0.319 0.000 0.934 462 K CA -0.750 55.449 56.287 -0.146 0.000 0.802 462 K CB 2.731 35.211 32.500 -0.034 0.000 1.171 462 K HN 0.796 nan 8.250 nan 0.000 0.426 463 G N 0.344 108.665 108.800 -0.798 0.000 2.684 463 G HA2 0.578 4.421 3.960 -0.195 0.000 0.290 463 G HA3 0.578 4.421 3.960 -0.195 0.000 0.290 463 G C -1.695 172.864 174.900 -0.568 0.000 1.425 463 G CA -0.475 44.089 45.100 -0.894 0.000 0.822 463 G HN 0.307 nan 8.290 nan 0.000 0.482 464 V N 0.332 120.222 119.914 -0.040 0.000 2.638 464 V HA 0.591 4.594 4.120 -0.195 0.000 0.306 464 V C -0.576 175.694 176.094 0.293 0.000 1.052 464 V CA -0.686 61.717 62.300 0.171 0.000 0.885 464 V CB 1.753 33.714 31.823 0.230 0.000 0.999 464 V HN 0.840 nan 8.190 nan 0.000 0.424 465 E N 3.392 123.792 120.200 0.333 0.000 2.199 465 E HA 0.771 5.004 4.350 -0.195 0.000 0.265 465 E C -0.955 175.817 176.600 0.286 0.000 0.882 465 E CA -0.620 55.959 56.400 0.299 0.000 0.759 465 E CB 1.899 31.762 29.700 0.270 0.000 1.148 465 E HN 0.846 nan 8.360 nan 0.000 0.412 466 A N 3.551 126.551 122.820 0.300 0.000 2.356 466 A HA 0.673 4.876 4.320 -0.195 0.000 0.310 466 A C -0.759 176.972 177.584 0.246 0.000 1.075 466 A CA -0.497 51.712 52.037 0.287 0.000 0.746 466 A CB 1.973 21.149 19.000 0.293 0.000 1.221 466 A HN 0.545 nan 8.150 nan 0.000 0.443 467 T N 0.821 115.513 114.554 0.231 0.000 2.906 467 T HA 0.816 5.049 4.350 -0.195 0.000 0.295 467 T C -0.607 174.229 174.700 0.227 0.000 1.061 467 T CA 0.057 62.272 62.100 0.192 0.000 1.000 467 T CB 1.868 70.826 68.868 0.149 0.000 1.103 467 T HN 1.659 nan 8.240 nan 0.000 0.486 468 A N 2.668 125.608 122.820 0.200 0.000 2.488 468 A HA 0.771 4.974 4.320 -0.195 0.000 0.295 468 A C -1.275 176.449 177.584 0.233 0.000 1.045 468 A CA -1.091 51.109 52.037 0.271 0.000 0.703 468 A CB 0.934 20.118 19.000 0.307 0.000 1.271 468 A HN 0.882 nan 8.150 nan 0.000 0.400 469 N N 0.470 119.314 118.700 0.238 0.000 2.240 469 N HA 0.886 5.509 4.740 -0.195 0.000 0.302 469 N C -0.802 174.875 175.510 0.278 0.000 1.106 469 N CA -0.713 52.421 53.050 0.141 0.000 0.778 469 N CB 1.885 40.406 38.487 0.056 0.000 1.431 469 N HN 0.807 nan 8.380 nan 0.000 0.479 470 F N -2.663 117.340 119.950 0.089 0.000 2.744 470 F HA 0.594 5.004 4.527 -0.195 0.000 0.311 470 F C -2.092 173.807 175.800 0.165 0.000 1.144 470 F CA -1.040 57.005 58.000 0.075 0.000 0.938 470 F CB 1.446 40.447 39.000 0.002 0.000 1.292 470 F HN 0.170 nan 8.300 nan 0.000 0.444 471 D N 0.946 121.529 120.400 0.305 0.000 2.505 471 D HA 0.439 4.963 4.640 -0.195 0.000 0.249 471 D C -0.826 175.669 176.300 0.324 0.000 1.082 471 D CA -0.252 53.908 54.000 0.267 0.000 0.839 471 D CB 2.260 43.163 40.800 0.171 0.000 1.317 471 D HN 0.777 nan 8.370 nan 0.000 0.497 472 T N -0.507 114.267 114.554 0.366 0.000 3.154 472 T HA 0.576 4.809 4.350 -0.195 0.000 0.381 472 T C 0.874 175.685 174.700 0.186 0.000 1.368 472 T CA -0.013 62.257 62.100 0.283 0.000 1.155 472 T CB 0.791 69.868 68.868 0.349 0.000 1.120 472 T HN 0.586 nan 8.240 nan 0.000 0.570 473 G N 5.229 114.109 108.800 0.133 0.000 2.561 473 G HA2 -0.261 3.582 3.960 -0.195 0.000 0.289 473 G HA3 -0.261 3.582 3.960 -0.195 0.000 0.289 473 G C -1.065 173.894 174.900 0.098 0.000 1.169 473 G CA 0.013 45.169 45.100 0.093 0.000 0.980 473 G HN 0.646 nan 8.290 nan 0.000 0.550 474 P HA 0.127 nan 4.420 nan 0.000 0.230 474 P C 0.784 178.178 177.300 0.156 0.000 1.158 474 P CA 0.866 64.033 63.100 0.112 0.000 0.769 474 P CB -0.043 31.716 31.700 0.098 0.000 0.807 475 L N -0.133 121.158 121.223 0.114 0.000 2.307 475 L HA 0.332 4.555 4.340 -0.195 0.000 0.282 475 L C 0.259 177.168 176.870 0.065 0.000 1.051 475 L CA -0.364 54.519 54.840 0.072 0.000 0.804 475 L CB 1.297 43.303 42.059 -0.088 0.000 1.197 475 L HN -0.285 nan 8.230 nan 0.000 0.431 476 T N 1.522 116.092 114.554 0.027 0.000 2.771 476 T HA 0.398 4.631 4.350 -0.195 0.000 0.281 476 T C -0.485 174.143 174.700 -0.121 0.000 0.982 476 T CA -0.503 61.607 62.100 0.017 0.000 0.978 476 T CB 0.426 69.334 68.868 0.066 0.000 0.930 476 T HN 0.404 nan 8.240 nan 0.000 0.447 477 H N 1.835 120.723 119.070 -0.304 0.000 2.466 477 H HA 0.444 4.884 4.556 -0.194 0.000 0.338 477 H C -0.467 174.597 175.328 -0.440 0.000 1.091 477 H CA -0.783 54.989 56.048 -0.460 0.000 1.207 477 H CB 1.492 30.583 29.762 -1.118 0.000 1.466 477 H HN 0.442 nan 8.280 nan 0.000 0.493 478 T N 3.667 118.129 114.554 -0.153 0.000 2.864 478 T HA 0.336 4.569 4.350 -0.195 0.000 0.299 478 T C -0.115 174.473 174.700 -0.186 0.000 1.011 478 T CA -0.626 61.417 62.100 -0.096 0.000 0.975 478 T CB 0.899 69.791 68.868 0.040 0.000 0.962 478 T HN 0.248 nan 8.240 nan 0.000 0.448 479 V N 2.953 122.761 119.914 -0.176 0.000 2.656 479 V HA 0.851 4.854 4.120 -0.195 0.000 0.307 479 V C -0.107 175.995 176.094 0.014 0.000 1.051 479 V CA -0.934 61.252 62.300 -0.191 0.000 0.893 479 V CB 2.059 33.691 31.823 -0.320 0.000 0.999 479 V HN 1.000 nan 8.190 nan 0.000 0.426 480 S N 3.077 118.818 115.700 0.068 0.000 2.570 480 S HA 0.831 5.184 4.470 -0.195 0.000 0.286 480 S C -1.421 173.306 174.600 0.211 0.000 1.099 480 S CA -0.758 57.524 58.200 0.137 0.000 0.913 480 S CB 2.181 65.445 63.200 0.107 0.000 1.085 480 S HN 0.869 nan 8.310 nan 0.000 0.480 481 Y N 0.798 121.166 120.300 0.113 0.000 2.406 481 Y HA 0.604 5.037 4.550 -0.196 0.000 0.340 481 Y C -1.675 174.315 175.900 0.149 0.000 0.975 481 Y CA -0.632 57.545 58.100 0.129 0.000 1.056 481 Y CB 1.770 40.303 38.460 0.120 0.000 1.210 481 Y HN 0.805 nan 8.280 nan 0.000 0.448 482 D N 4.803 124.886 120.400 -0.528 0.000 2.646 482 D HA 0.174 4.697 4.640 -0.195 0.000 0.245 482 D C -1.912 174.057 176.300 -0.552 0.000 1.099 482 D CA -0.277 53.517 54.000 -0.344 0.000 0.849 482 D CB 2.428 43.160 40.800 -0.114 0.000 1.448 482 D HN 0.611 nan 8.370 nan 0.000 0.489 483 Y N 1.892 121.993 120.300 -0.332 0.000 2.376 483 Y HA 0.457 4.890 4.550 -0.195 0.000 0.340 483 Y C -1.256 174.604 175.900 -0.067 0.000 0.965 483 Y CA -0.803 57.201 58.100 -0.161 0.000 1.078 483 Y CB 1.342 39.817 38.460 0.026 0.000 1.193 483 Y HN 0.147 nan 8.280 nan 0.000 0.452 484 V N 3.686 123.260 119.914 -0.567 0.000 2.577 484 V HA 0.543 4.546 4.120 -0.195 0.000 0.303 484 V C -1.844 173.875 176.094 -0.626 0.000 1.042 484 V CA -0.545 61.491 62.300 -0.440 0.000 0.872 484 V CB 1.827 33.586 31.823 -0.107 0.000 0.998 484 V HN 0.849 nan 8.190 nan 0.000 0.423 485 D N 5.099 125.212 120.400 -0.478 0.000 2.477 485 D HA 0.700 5.223 4.640 -0.195 0.000 0.239 485 D C 0.033 176.271 176.300 -0.103 0.000 1.102 485 D CA 0.287 54.132 54.000 -0.260 0.000 0.901 485 D CB 1.243 41.975 40.800 -0.113 0.000 1.026 485 D HN 1.107 nan 8.370 nan 0.000 0.515 486 A N 4.428 127.201 122.820 -0.078 0.000 2.256 486 A HA 0.712 4.915 4.320 -0.195 0.000 0.317 486 A C -0.012 177.559 177.584 -0.021 0.000 1.318 486 A CA -0.647 51.375 52.037 -0.024 0.000 0.894 486 A CB 0.482 19.473 19.000 -0.015 0.000 1.165 486 A HN 0.531 nan 8.150 nan 0.000 0.525 487 R N 1.675 122.171 120.500 -0.008 0.000 2.795 487 R HA 0.331 4.554 4.340 -0.195 0.000 0.275 487 R C -0.556 175.744 176.300 -0.001 0.000 0.981 487 R CA -0.971 55.120 56.100 -0.014 0.000 0.917 487 R CB 1.549 31.840 30.300 -0.015 0.000 1.202 487 R HN 0.766 nan 8.270 nan 0.000 0.469 488 N N 1.303 119.998 118.700 -0.009 0.000 2.442 488 N HA 0.029 4.652 4.740 -0.195 0.000 0.265 488 N C 0.210 175.719 175.510 -0.002 0.000 1.138 488 N CA 0.192 53.242 53.050 0.000 0.000 0.956 488 N CB 1.694 40.177 38.487 -0.006 0.000 1.067 488 N HN 0.748 nan 8.380 nan 0.000 0.474 489 A N 5.061 127.887 122.820 0.010 0.000 2.066 489 A HA -0.033 4.170 4.320 -0.195 0.000 0.218 489 A C 1.922 179.510 177.584 0.007 0.000 1.157 489 A CA 0.579 52.623 52.037 0.012 0.000 0.670 489 A CB -0.124 18.889 19.000 0.022 0.000 0.804 489 A HN 0.720 nan 8.150 nan 0.000 0.453 490 I N 0.255 120.827 120.570 0.004 0.000 2.406 490 I HA -0.097 3.957 4.170 -0.195 0.000 0.249 490 I C 2.348 178.459 176.117 -0.010 0.000 1.122 490 I CA 2.145 63.446 61.300 0.000 0.000 1.431 490 I CB -1.558 36.442 38.000 0.001 0.000 1.087 490 I HN 0.506 nan 8.210 nan 0.000 0.424 491 T N -3.743 110.801 114.554 -0.018 0.000 3.054 491 T HA 0.113 4.346 4.350 -0.195 0.000 0.255 491 T C 0.778 175.456 174.700 -0.035 0.000 1.035 491 T CA 0.183 62.266 62.100 -0.030 0.000 0.941 491 T CB 0.003 68.847 68.868 -0.039 0.000 1.026 491 T HN 0.126 nan 8.240 nan 0.000 0.533 492 D N 1.965 122.348 120.400 -0.027 0.000 2.882 492 D HA -0.161 4.362 4.640 -0.195 0.000 0.229 492 D C 0.050 176.317 176.300 -0.055 0.000 1.167 492 D CA 1.448 55.430 54.000 -0.030 0.000 0.759 492 D CB -1.425 39.362 40.800 -0.021 0.000 1.088 492 D HN 0.818 nan 8.370 nan 0.000 0.425 493 T N -2.278 112.234 114.554 -0.070 0.000 2.799 493 T HA 0.644 4.877 4.350 -0.195 0.000 0.286 493 T C -2.496 172.130 174.700 -0.124 0.000 0.973 493 T CA -1.781 60.249 62.100 -0.117 0.000 1.035 493 T CB 2.094 70.888 68.868 -0.123 0.000 0.932 493 T HN -0.186 nan 8.240 nan 0.000 0.469 494 P HA 0.151 nan 4.420 nan 0.000 0.266 494 P C -0.165 177.067 177.300 -0.113 0.000 1.195 494 P CA -0.304 62.711 63.100 -0.141 0.000 0.768 494 P CB 0.368 31.945 31.700 -0.204 0.000 0.838 495 L N 3.015 124.206 121.223 -0.054 0.000 2.397 495 L HA 0.179 4.403 4.340 -0.195 0.000 0.271 495 L C 0.822 177.668 176.870 -0.041 0.000 1.148 495 L CA -0.394 54.423 54.840 -0.037 0.000 0.825 495 L CB -0.031 42.019 42.059 -0.015 0.000 1.117 495 L HN 0.221 nan 8.230 nan 0.000 0.456 496 L N 3.592 124.794 121.223 -0.034 0.000 2.436 496 L HA 0.218 4.441 4.340 -0.195 0.000 0.265 496 L C 1.031 177.808 176.870 -0.154 0.000 1.168 496 L CA -0.298 54.526 54.840 -0.027 0.000 0.815 496 L CB 0.390 42.457 42.059 0.013 0.000 1.109 496 L HN 0.690 nan 8.230 nan 0.000 0.462 497 R N -0.151 120.257 120.500 -0.153 0.000 4.000 497 R HA -0.206 4.018 4.340 -0.195 0.000 0.362 497 R C -0.191 175.772 176.300 -0.562 0.000 1.183 497 R CA 0.827 56.750 56.100 -0.294 0.000 1.011 497 R CB -1.410 28.749 30.300 -0.235 0.000 1.501 497 R HN 0.571 nan 8.270 nan 0.000 0.553 498 R N 1.001 121.218 120.500 -0.472 0.000 2.229 498 R HA 0.499 4.722 4.340 -0.195 0.000 0.328 498 R C 0.093 176.250 176.300 -0.239 0.000 1.009 498 R CA 0.178 56.027 56.100 -0.417 0.000 0.864 498 R CB 1.403 31.507 30.300 -0.325 0.000 1.085 498 R HN 0.245 nan 8.270 nan 0.000 0.453 499 A N 2.852 125.540 122.820 -0.220 0.000 2.488 499 A HA 0.015 4.218 4.320 -0.195 0.000 0.249 499 A C 1.144 178.624 177.584 -0.173 0.000 1.083 499 A CA -0.045 51.878 52.037 -0.189 0.000 0.768 499 A CB 0.350 19.238 19.000 -0.186 0.000 1.017 499 A HN 0.947 nan 8.150 nan 0.000 0.496 500 K N 1.231 121.536 120.400 -0.159 0.000 2.148 500 K HA -0.086 4.118 4.320 -0.195 0.000 0.204 500 K C 0.396 176.897 176.600 -0.165 0.000 1.050 500 K CA 1.407 57.582 56.287 -0.187 0.000 0.942 500 K CB -0.020 32.419 32.500 -0.101 0.000 0.724 500 K HN 0.827 nan 8.250 nan 0.000 0.446 501 Q N -0.017 119.741 119.800 -0.070 0.000 2.345 501 Q HA 0.299 4.522 4.340 -0.195 0.000 0.275 501 Q C -1.580 174.394 176.000 -0.044 0.000 1.063 501 Q CA -0.725 55.068 55.803 -0.017 0.000 0.819 501 Q CB 2.572 31.446 28.738 0.227 0.000 1.356 501 Q HN 0.090 nan 8.270 nan 0.000 0.418 502 Q N 0.907 120.645 119.800 -0.103 0.000 2.379 502 Q HA 0.654 4.877 4.340 -0.195 0.000 0.278 502 Q C -1.439 174.593 176.000 0.053 0.000 1.068 502 Q CA -0.755 55.031 55.803 -0.027 0.000 0.816 502 Q CB 3.103 31.785 28.738 -0.093 0.000 1.387 502 Q HN 0.342 nan 8.270 nan 0.000 0.413 503 V N 1.809 121.827 119.914 0.173 0.000 2.540 503 V HA 0.520 4.523 4.120 -0.195 0.000 0.302 503 V C -0.849 175.319 176.094 0.123 0.000 1.035 503 V CA -0.789 61.657 62.300 0.242 0.000 0.873 503 V CB 1.858 33.922 31.823 0.401 0.000 0.992 503 V HN 0.627 nan 8.190 nan 0.000 0.428 504 K N 4.165 124.644 120.400 0.131 0.000 2.443 504 K HA 0.623 4.826 4.320 -0.195 0.000 0.252 504 K C -1.736 174.964 176.600 0.168 0.000 0.933 504 K CA -0.705 55.621 56.287 0.065 0.000 0.792 504 K CB 2.747 35.237 32.500 -0.016 0.000 1.185 504 K HN 0.747 nan 8.250 nan 0.000 0.425 505 Y N 1.955 122.295 120.300 0.067 0.000 2.332 505 Y HA 0.158 4.592 4.550 -0.193 0.000 0.325 505 Y C -1.203 174.732 175.900 0.059 0.000 1.054 505 Y CA -0.875 57.288 58.100 0.105 0.000 1.119 505 Y CB 2.167 40.723 38.460 0.160 0.000 1.168 505 Y HN 0.565 nan 8.280 nan 0.000 0.439 506 Q N 4.736 124.702 119.800 0.277 0.000 2.293 506 Q HA 0.567 4.790 4.340 -0.195 0.000 0.261 506 Q C -2.233 173.952 176.000 0.307 0.000 0.960 506 Q CA -0.696 55.254 55.803 0.245 0.000 0.882 506 Q CB 1.778 30.608 28.738 0.153 0.000 1.275 506 Q HN 0.701 nan 8.270 nan 0.000 0.445 507 L N 4.116 125.521 121.223 0.304 0.000 2.372 507 L HA 0.587 4.811 4.340 -0.195 0.000 0.274 507 L C -1.771 175.324 176.870 0.375 0.000 0.988 507 L CA -0.131 54.862 54.840 0.255 0.000 0.833 507 L CB 1.718 43.910 42.059 0.221 0.000 1.236 507 L HN 0.656 nan 8.230 nan 0.000 0.410 508 D N 4.622 125.210 120.400 0.313 0.000 2.350 508 D HA 0.665 5.188 4.640 -0.195 0.000 0.245 508 D C -1.323 175.246 176.300 0.448 0.000 1.036 508 D CA 0.297 54.482 54.000 0.308 0.000 0.848 508 D CB 1.879 42.786 40.800 0.179 0.000 1.307 508 D HN 0.555 nan 8.370 nan 0.000 0.469 509 W N -0.612 120.770 121.300 0.137 0.000 3.059 509 W HA 0.457 5.000 4.660 -0.195 0.000 0.329 509 W C -1.846 174.799 176.519 0.210 0.000 1.246 509 W CA -0.676 56.743 57.345 0.123 0.000 1.190 509 W CB 0.465 29.968 29.460 0.071 0.000 1.423 509 W HN 0.082 nan 8.180 nan 0.000 0.571 510 Q N 1.593 121.547 119.800 0.257 0.000 2.394 510 Q HA 0.819 5.042 4.340 -0.195 0.000 0.273 510 Q C -1.868 174.314 176.000 0.304 0.000 1.089 510 Q CA -0.972 54.944 55.803 0.188 0.000 0.812 510 Q CB 2.769 31.573 28.738 0.110 0.000 1.353 510 Q HN 0.866 nan 8.270 nan 0.000 0.438 511 L N 1.272 122.681 121.223 0.311 0.000 2.562 511 L HA 0.509 4.732 4.340 -0.195 0.000 0.266 511 L C -1.493 175.525 176.870 0.247 0.000 0.949 511 L CA -0.170 54.736 54.840 0.110 0.000 0.879 511 L CB 1.464 43.571 42.059 0.081 0.000 1.278 511 L HN 0.773 nan 8.230 nan 0.000 0.404 512 Y N 4.283 124.791 120.300 0.346 0.000 3.589 512 Y HA -0.243 4.191 4.550 -0.194 0.000 0.218 512 Y C 1.092 177.225 175.900 0.387 0.000 1.234 512 Y CA 0.902 59.219 58.100 0.362 0.000 1.576 512 Y CB -2.364 36.352 38.460 0.426 0.000 1.487 512 Y HN 0.888 nan 8.280 nan 0.000 0.616 513 D N -3.292 117.307 120.400 0.332 0.000 2.978 513 D HA -0.255 4.268 4.640 -0.195 0.000 0.205 513 D C -0.077 176.231 176.300 0.013 0.000 1.093 513 D CA 1.452 55.508 54.000 0.092 0.000 1.006 513 D CB -1.285 39.471 40.800 -0.072 0.000 1.116 513 D HN 0.409 nan 8.370 nan 0.000 0.419 514 F N 1.138 121.222 119.950 0.223 0.000 2.420 514 F HA 0.289 4.699 4.527 -0.195 0.000 0.352 514 F C 1.016 176.710 175.800 -0.176 0.000 1.108 514 F CA -0.585 57.429 58.000 0.024 0.000 1.162 514 F CB 0.859 39.853 39.000 -0.009 0.000 1.118 514 F HN -0.299 nan 8.300 nan 0.000 0.510 515 D N 4.000 124.295 120.400 -0.175 0.000 2.349 515 D HA 0.271 4.794 4.640 -0.195 0.000 0.232 515 D C -1.390 174.673 176.300 -0.394 0.000 1.071 515 D CA -0.285 53.593 54.000 -0.203 0.000 0.832 515 D CB 0.485 41.202 40.800 -0.138 0.000 1.086 515 D HN 0.281 nan 8.370 nan 0.000 0.504 516 W N 2.350 123.328 121.300 -0.536 0.000 2.639 516 W HA 0.702 5.245 4.660 -0.195 0.000 0.347 516 W C 0.496 176.676 176.519 -0.565 0.000 1.067 516 W CA -0.838 56.071 57.345 -0.726 0.000 1.218 516 W CB 2.386 30.871 29.460 -1.626 0.000 1.393 516 W HN 0.491 nan 8.180 nan 0.000 0.557 517 G N 2.199 110.994 108.800 -0.008 0.000 2.719 517 G HA2 0.707 4.550 3.960 -0.195 0.000 0.298 517 G HA3 0.707 4.550 3.960 -0.195 0.000 0.298 517 G C -1.787 173.261 174.900 0.247 0.000 1.433 517 G CA -0.770 44.413 45.100 0.139 0.000 1.034 517 G HN 0.420 nan 8.290 nan 0.000 0.517 518 I N 1.613 122.389 120.570 0.344 0.000 2.377 518 I HA 0.377 4.430 4.170 -0.195 0.000 0.293 518 I C -0.171 176.104 176.117 0.263 0.000 0.987 518 I CA -0.542 60.972 61.300 0.357 0.000 1.185 518 I CB 2.375 40.651 38.000 0.460 0.000 1.341 518 I HN 0.275 nan 8.210 nan 0.000 0.455 519 T N 5.474 120.141 114.554 0.189 0.000 2.772 519 T HA 0.313 4.546 4.350 -0.195 0.000 0.288 519 T C -0.911 173.790 174.700 0.001 0.000 0.994 519 T CA -0.389 61.747 62.100 0.060 0.000 0.951 519 T CB 0.626 69.449 68.868 -0.074 0.000 0.933 519 T HN 0.322 nan 8.240 nan 0.000 0.447 520 Y N 2.854 123.015 120.300 -0.232 0.000 2.360 520 Y HA 0.611 5.044 4.550 -0.195 0.000 0.337 520 Y C -0.255 175.446 175.900 -0.333 0.000 1.039 520 Y CA -0.936 56.826 58.100 -0.564 0.000 1.109 520 Y CB 1.420 39.353 38.460 -0.878 0.000 1.201 520 Y HN 0.577 nan 8.280 nan 0.000 0.458 521 Q N 4.843 123.963 119.800 -1.133 0.000 2.323 521 Q HA 0.294 4.517 4.340 -0.195 0.000 0.271 521 Q C -2.272 173.123 176.000 -1.009 0.000 1.048 521 Q CA -0.926 54.363 55.803 -0.858 0.000 0.792 521 Q CB 1.536 29.979 28.738 -0.491 0.000 1.280 521 Q HN 0.762 nan 8.270 nan 0.000 0.441 522 Y N 4.848 124.716 120.300 -0.720 0.000 2.335 522 Y HA 0.471 4.904 4.550 -0.195 0.000 0.339 522 Y C -1.573 174.189 175.900 -0.229 0.000 0.987 522 Y CA -0.786 57.093 58.100 -0.367 0.000 1.140 522 Y CB 0.668 39.091 38.460 -0.062 0.000 1.173 522 Y HN 0.551 nan 8.280 nan 0.000 0.486 523 L N 7.389 128.151 121.223 -0.768 0.000 2.262 523 L HA 0.573 4.797 4.340 -0.195 0.000 0.288 523 L C 0.912 177.245 176.870 -0.895 0.000 1.035 523 L CA -0.754 53.708 54.840 -0.630 0.000 0.820 523 L CB 0.927 42.741 42.059 -0.408 0.000 1.204 523 L HN 0.826 nan 8.230 nan 0.000 0.424 524 G N 1.999 110.403 108.800 -0.659 0.000 2.516 524 G HA2 0.205 4.048 3.960 -0.195 0.000 0.276 524 G HA3 0.205 4.048 3.960 -0.195 0.000 0.276 524 G C -0.083 174.657 174.900 -0.267 0.000 1.390 524 G CA -0.401 44.447 45.100 -0.419 0.000 1.050 524 G HN 0.472 nan 8.290 nan 0.000 0.519 525 T N 0.335 114.789 114.554 -0.166 0.000 2.902 525 T HA 0.352 4.586 4.350 -0.195 0.000 0.301 525 T C 0.367 174.889 174.700 -0.297 0.000 1.012 525 T CA 0.622 62.590 62.100 -0.220 0.000 1.151 525 T CB 0.352 69.105 68.868 -0.192 0.000 0.946 525 T HN 0.499 nan 8.240 nan 0.000 0.542 526 R N 2.014 122.290 120.500 -0.373 0.000 2.651 526 R HA 0.434 4.657 4.340 -0.195 0.000 0.278 526 R C -1.667 174.371 176.300 -0.437 0.000 1.010 526 R CA -0.712 55.190 56.100 -0.330 0.000 0.896 526 R CB 1.257 31.439 30.300 -0.197 0.000 1.211 526 R HN 0.566 nan 8.270 nan 0.000 0.456 527 Y N 1.146 121.390 120.300 -0.093 0.000 2.387 527 Y HA 0.460 4.893 4.550 -0.195 0.000 0.330 527 Y C 0.185 176.040 175.900 -0.075 0.000 1.133 527 Y CA -0.246 57.804 58.100 -0.083 0.000 1.152 527 Y CB 1.696 40.106 38.460 -0.083 0.000 1.215 527 Y HN 0.593 nan 8.280 nan 0.000 0.466 528 D N 0.499 120.955 120.400 0.094 0.000 2.615 528 D HA 0.249 4.773 4.640 -0.195 0.000 0.267 528 D C -1.679 174.621 176.300 -0.001 0.000 1.236 528 D CA -0.946 53.092 54.000 0.063 0.000 0.839 528 D CB 1.924 42.794 40.800 0.118 0.000 1.380 528 D HN 0.430 nan 8.370 nan 0.000 0.433 529 K N 1.019 121.414 120.400 -0.008 0.000 2.183 529 K HA 0.289 4.492 4.320 -0.195 0.000 0.274 529 K C -1.060 175.442 176.600 -0.163 0.000 1.009 529 K CA -0.581 55.602 56.287 -0.173 0.000 0.888 529 K CB 1.040 33.339 32.500 -0.336 0.000 1.078 529 K HN 0.281 nan 8.250 nan 0.000 0.459 530 D N 3.947 124.242 120.400 -0.175 0.000 2.347 530 D HA 0.038 4.562 4.640 -0.195 0.000 0.235 530 D C -0.158 176.100 176.300 -0.070 0.000 1.149 530 D CA -0.060 53.957 54.000 0.029 0.000 0.850 530 D CB 0.455 41.254 40.800 -0.001 0.000 1.061 530 D HN 0.499 nan 8.370 nan 0.000 0.487 531 Y N 1.420 121.753 120.300 0.056 0.000 2.490 531 Y HA -0.054 4.379 4.550 -0.195 0.000 0.281 531 Y C 2.489 178.424 175.900 0.060 0.000 1.174 531 Y CA 0.437 58.427 58.100 -0.183 0.000 1.295 531 Y CB 0.098 38.413 38.460 -0.241 0.000 1.062 531 Y HN 0.426 nan 8.280 nan 0.000 0.522 532 S N -0.990 114.821 115.700 0.184 0.000 2.447 532 S HA -0.028 4.325 4.470 -0.195 0.000 0.233 532 S C 0.826 175.530 174.600 0.174 0.000 1.006 532 S CA 0.429 58.670 58.200 0.069 0.000 0.957 532 S CB -0.331 62.838 63.200 -0.051 0.000 0.773 532 S HN 0.240 nan 8.310 nan 0.000 0.507 533 S N -0.660 115.203 115.700 0.271 0.000 2.533 533 S HA 0.560 4.914 4.470 -0.195 0.000 0.271 533 S C -1.292 173.488 174.600 0.300 0.000 1.143 533 S CA -0.949 57.407 58.200 0.260 0.000 0.891 533 S CB 0.820 64.116 63.200 0.160 0.000 1.105 533 S HN 0.314 nan 8.310 nan 0.000 0.468 534 Y N 4.084 124.412 120.300 0.047 0.000 2.308 534 Y HA 0.598 5.032 4.550 -0.194 0.000 0.329 534 Y C -1.788 174.028 175.900 -0.140 0.000 1.111 534 Y CA -1.360 56.593 58.100 -0.245 0.000 1.179 534 Y CB 0.911 39.175 38.460 -0.326 0.000 1.201 534 Y HN 0.687 nan 8.280 nan 0.000 0.483 535 P HA 0.064 nan 4.420 nan 0.000 0.271 535 P C -1.750 175.215 177.300 -0.558 0.000 1.218 535 P CA -0.093 62.338 63.100 -1.116 0.000 0.780 535 P CB 0.592 31.866 31.700 -0.709 0.000 0.901 536 Y N 1.018 121.058 120.300 -0.434 0.000 2.486 536 Y HA 0.120 4.553 4.550 -0.195 0.000 0.348 536 Y C 1.260 177.015 175.900 -0.241 0.000 1.000 536 Y CA -0.169 57.769 58.100 -0.269 0.000 1.253 536 Y CB 0.157 38.423 38.460 -0.324 0.000 1.140 536 Y HN 0.246 nan 8.280 nan 0.000 0.526 537 Q N 1.435 121.219 119.800 -0.026 0.000 2.317 537 Q HA 0.299 4.522 4.340 -0.195 0.000 0.229 537 Q C -0.097 175.848 176.000 -0.092 0.000 0.984 537 Q CA -0.279 55.483 55.803 -0.068 0.000 0.911 537 Q CB 0.801 29.506 28.738 -0.055 0.000 1.217 537 Q HN 0.524 nan 8.270 nan 0.000 0.501 538 T N 1.261 115.765 114.554 -0.084 0.000 2.771 538 T HA 0.427 4.660 4.350 -0.195 0.000 0.291 538 T C 0.124 174.789 174.700 -0.059 0.000 0.954 538 T CA -0.604 61.454 62.100 -0.069 0.000 1.045 538 T CB 0.614 69.443 68.868 -0.066 0.000 0.917 538 T HN 0.421 nan 8.240 nan 0.000 0.484 539 V N 1.448 121.304 119.914 -0.097 0.000 2.732 539 V HA 0.719 4.722 4.120 -0.195 0.000 0.310 539 V C -0.280 175.806 176.094 -0.013 0.000 1.053 539 V CA -1.198 61.023 62.300 -0.131 0.000 0.957 539 V CB 1.652 33.232 31.823 -0.404 0.000 1.018 539 V HN 0.769 nan 8.190 nan 0.000 0.452 540 K N 3.220 123.597 120.400 -0.038 0.000 2.274 540 K HA 0.661 4.864 4.320 -0.195 0.000 0.262 540 K C -0.879 175.626 176.600 -0.158 0.000 0.961 540 K CA -0.687 55.499 56.287 -0.167 0.000 0.833 540 K CB 1.613 34.010 32.500 -0.171 0.000 1.102 540 K HN 0.886 nan 8.250 nan 0.000 0.436 541 M N 2.912 122.402 119.600 -0.184 0.000 2.238 541 M HA 0.290 4.653 4.480 -0.195 0.000 0.350 541 M C 0.516 176.741 176.300 -0.125 0.000 1.138 541 M CA -0.691 54.552 55.300 -0.096 0.000 1.040 541 M CB 1.839 34.417 32.600 -0.037 0.000 1.639 541 M HN 0.811 nan 8.290 nan 0.000 0.451 542 G N 1.698 110.457 108.800 -0.069 0.000 2.569 542 G HA2 0.429 4.273 3.960 -0.195 0.000 0.249 542 G HA3 0.429 4.273 3.960 -0.195 0.000 0.249 542 G C 0.210 175.063 174.900 -0.078 0.000 1.216 542 G CA -0.599 44.467 45.100 -0.057 0.000 0.845 542 G HN 0.873 nan 8.290 nan 0.000 0.568 543 G N -1.347 107.411 108.800 -0.070 0.000 2.491 543 G HA2 0.527 4.370 3.960 -0.195 0.000 0.238 543 G HA3 0.527 4.370 3.960 -0.195 0.000 0.238 543 G C -0.017 174.819 174.900 -0.108 0.000 1.277 543 G CA 0.616 45.601 45.100 -0.192 0.000 0.851 543 G HN 1.558 nan 8.290 nan 0.000 0.573 544 V N -1.163 118.584 119.914 -0.279 0.000 3.049 544 V HA 0.839 4.842 4.120 -0.195 0.000 0.309 544 V C -0.193 175.795 176.094 -0.177 0.000 1.148 544 V CA -1.047 61.167 62.300 -0.143 0.000 0.990 544 V CB 1.905 33.623 31.823 -0.175 0.000 1.039 544 V HN 0.677 nan 8.190 nan 0.000 0.430 545 S N 3.744 119.433 115.700 -0.018 0.000 2.451 545 S HA 0.862 5.215 4.470 -0.195 0.000 0.301 545 S C -0.573 173.955 174.600 -0.122 0.000 1.116 545 S CA -0.550 57.622 58.200 -0.047 0.000 1.093 545 S CB 0.957 64.333 63.200 0.294 0.000 1.017 545 S HN 0.697 nan 8.310 nan 0.000 0.482 546 L N 2.234 123.229 121.223 -0.381 0.000 2.370 546 L HA 0.681 4.904 4.340 -0.195 0.000 0.266 546 L C -1.484 175.214 176.870 -0.287 0.000 1.002 546 L CA -0.696 54.012 54.840 -0.221 0.000 0.818 546 L CB 1.745 43.588 42.059 -0.359 0.000 1.325 546 L HN 0.625 nan 8.230 nan 0.000 0.418 547 W N 0.645 122.001 121.300 0.094 0.000 2.883 547 W HA 0.529 5.073 4.660 -0.194 0.000 0.335 547 W C -0.867 175.691 176.519 0.065 0.000 1.083 547 W CA -0.302 57.146 57.345 0.172 0.000 1.233 547 W CB 1.985 31.678 29.460 0.389 0.000 1.412 547 W HN 0.255 nan 8.180 nan 0.000 0.490 548 D N 2.315 122.866 120.400 0.251 0.000 2.527 548 D HA 0.560 5.084 4.640 -0.195 0.000 0.233 548 D C -1.598 174.821 176.300 0.197 0.000 1.063 548 D CA -0.687 53.400 54.000 0.144 0.000 0.880 548 D CB 2.769 43.602 40.800 0.055 0.000 1.457 548 D HN 0.201 nan 8.370 nan 0.000 0.475 549 L N 1.070 122.386 121.223 0.154 0.000 2.409 549 L HA 0.742 4.965 4.340 -0.195 0.000 0.272 549 L C -1.562 175.412 176.870 0.174 0.000 0.980 549 L CA -0.546 54.418 54.840 0.207 0.000 0.826 549 L CB 1.577 43.759 42.059 0.204 0.000 1.268 549 L HN 0.506 nan 8.230 nan 0.000 0.407 550 A N 4.192 127.122 122.820 0.183 0.000 2.414 550 A HA 0.860 5.064 4.320 -0.195 0.000 0.306 550 A C -1.755 175.821 177.584 -0.013 0.000 1.054 550 A CA -0.562 51.531 52.037 0.093 0.000 0.724 550 A CB 1.995 21.050 19.000 0.091 0.000 1.267 550 A HN 0.766 nan 8.150 nan 0.000 0.418 551 V N 0.879 120.689 119.914 -0.173 0.000 2.876 551 V HA 0.886 4.890 4.120 -0.195 0.000 0.312 551 V C -0.411 175.532 176.094 -0.252 0.000 1.085 551 V CA 0.162 62.175 62.300 -0.478 0.000 0.945 551 V CB 1.951 33.179 31.823 -0.992 0.000 1.017 551 V HN 1.878 nan 8.190 nan 0.000 0.428 552 A N 4.888 127.557 122.820 -0.252 0.000 2.414 552 A HA 0.859 5.062 4.320 -0.195 0.000 0.306 552 A C -2.044 175.479 177.584 -0.101 0.000 1.054 552 A CA -0.480 51.479 52.037 -0.130 0.000 0.724 552 A CB 1.638 20.563 19.000 -0.125 0.000 1.267 552 A HN 1.224 nan 8.150 nan 0.000 0.418 553 Y N 3.410 123.580 120.300 -0.217 0.000 2.386 553 Y HA 0.577 5.011 4.550 -0.194 0.000 0.334 553 Y C -2.656 173.118 175.900 -0.210 0.000 1.002 553 Y CA -2.245 55.659 58.100 -0.326 0.000 1.068 553 Y CB 2.894 41.076 38.460 -0.463 0.000 1.203 553 Y HN 0.485 nan 8.280 nan 0.000 0.443 554 P HA 0.085 nan 4.420 nan 0.000 0.274 554 P C 0.417 177.388 177.300 -0.548 0.000 1.470 554 P CA 0.233 63.036 63.100 -0.495 0.000 1.001 554 P CB 1.336 32.779 31.700 -0.429 0.000 1.332 555 V N 2.777 122.567 119.914 -0.206 0.000 2.343 555 V HA -0.111 3.893 4.120 -0.195 0.000 0.247 555 V C 1.669 177.745 176.094 -0.029 0.000 1.051 555 V CA 2.636 64.931 62.300 -0.007 0.000 1.036 555 V CB -0.720 31.167 31.823 0.106 0.000 0.654 555 V HN 0.670 nan 8.190 nan 0.000 0.451 556 T N -5.759 108.778 114.554 -0.028 0.000 2.716 556 T HA 0.587 4.820 4.350 -0.195 0.000 0.286 556 T C 1.087 175.748 174.700 -0.064 0.000 1.052 556 T CA 0.160 62.251 62.100 -0.014 0.000 1.024 556 T CB 1.353 70.267 68.868 0.078 0.000 1.349 556 T HN 0.100 nan 8.240 nan 0.000 0.525 557 S N -0.820 114.820 115.700 -0.102 0.000 2.447 557 S HA -0.040 4.313 4.470 -0.195 0.000 0.233 557 S C 1.731 176.174 174.600 -0.262 0.000 1.006 557 S CA 1.010 59.080 58.200 -0.217 0.000 0.957 557 S CB -0.925 62.092 63.200 -0.306 0.000 0.773 557 S HN 0.801 nan 8.310 nan 0.000 0.507 558 H N -1.530 117.520 119.070 -0.033 0.000 2.639 558 H HA 0.326 4.765 4.556 -0.194 0.000 0.267 558 H C -0.414 174.905 175.328 -0.016 0.000 0.958 558 H CA -0.064 55.917 56.048 -0.110 0.000 1.221 558 H CB 0.505 30.134 29.762 -0.222 0.000 1.446 558 H HN 0.398 nan 8.280 nan 0.000 0.512 559 L N 1.824 123.171 121.223 0.207 0.000 2.325 559 L HA 0.352 4.575 4.340 -0.195 0.000 0.281 559 L C -0.594 176.319 176.870 0.072 0.000 1.004 559 L CA -0.193 54.780 54.840 0.222 0.000 0.823 559 L CB 1.853 44.073 42.059 0.268 0.000 1.236 559 L HN -0.164 nan 8.230 nan 0.000 0.415 560 T N 4.220 118.808 114.554 0.057 0.000 2.824 560 T HA 0.658 4.891 4.350 -0.195 0.000 0.282 560 T C -0.725 174.000 174.700 0.041 0.000 0.993 560 T CA -0.428 61.673 62.100 0.002 0.000 0.967 560 T CB 1.724 70.572 68.868 -0.032 0.000 0.960 560 T HN 0.309 nan 8.240 nan 0.000 0.441 561 V N 4.109 124.051 119.914 0.047 0.000 2.581 561 V HA 0.642 4.645 4.120 -0.195 0.000 0.303 561 V C 0.014 176.131 176.094 0.039 0.000 1.041 561 V CA -0.886 61.452 62.300 0.063 0.000 0.907 561 V CB 1.745 33.621 31.823 0.087 0.000 0.994 561 V HN 0.741 nan 8.190 nan 0.000 0.442 562 R N 1.871 122.394 120.500 0.038 0.000 2.771 562 R HA 0.800 5.023 4.340 -0.195 0.000 0.274 562 R C -0.460 175.860 176.300 0.032 0.000 0.987 562 R CA -0.792 55.316 56.100 0.014 0.000 0.908 562 R CB 2.553 32.859 30.300 0.009 0.000 1.213 562 R HN 0.908 nan 8.270 nan 0.000 0.468 563 G N 1.063 109.872 108.800 0.015 0.000 2.667 563 G HA2 0.527 4.370 3.960 -0.195 0.000 0.298 563 G HA3 0.527 4.370 3.960 -0.195 0.000 0.298 563 G C -1.622 173.304 174.900 0.044 0.000 1.377 563 G CA -0.453 44.674 45.100 0.045 0.000 0.964 563 G HN 0.347 nan 8.290 nan 0.000 0.493 564 K N 1.053 121.497 120.400 0.073 0.000 2.498 564 K HA 0.613 4.816 4.320 -0.195 0.000 0.254 564 K C -1.336 175.301 176.600 0.061 0.000 0.933 564 K CA -0.816 55.508 56.287 0.061 0.000 0.806 564 K CB 2.076 34.595 32.500 0.032 0.000 1.301 564 K HN 0.410 nan 8.250 nan 0.000 0.432 565 I N 3.138 123.729 120.570 0.035 0.000 2.382 565 I HA 0.361 4.414 4.170 -0.195 0.000 0.285 565 I C -0.220 175.848 176.117 -0.081 0.000 1.007 565 I CA -0.800 60.452 61.300 -0.080 0.000 1.142 565 I CB 1.806 39.762 38.000 -0.073 0.000 1.289 565 I HN 0.590 nan 8.210 nan 0.000 0.453 566 A N 4.772 127.515 122.820 -0.128 0.000 2.309 566 A HA 0.472 4.676 4.320 -0.195 0.000 0.298 566 A C 0.551 178.088 177.584 -0.078 0.000 1.165 566 A CA -0.330 51.661 52.037 -0.076 0.000 0.821 566 A CB 0.442 19.397 19.000 -0.076 0.000 1.102 566 A HN 0.839 nan 8.150 nan 0.000 0.500 567 N N 0.413 119.111 118.700 -0.004 0.000 2.614 567 N HA -0.158 4.466 4.740 -0.195 0.000 0.276 567 N C 0.172 175.681 175.510 -0.002 0.000 1.119 567 N CA 0.770 53.847 53.050 0.044 0.000 0.742 567 N CB -0.954 37.568 38.487 0.057 0.000 0.900 567 N HN 0.839 nan 8.380 nan 0.000 0.549 568 L N 1.375 122.599 121.223 0.001 0.000 2.083 568 L HA 0.091 4.315 4.340 -0.195 0.000 0.209 568 L C 1.447 178.111 176.870 -0.342 0.000 1.083 568 L CA 1.892 56.609 54.840 -0.204 0.000 0.752 568 L CB -0.352 41.546 42.059 -0.269 0.000 0.899 568 L HN 0.423 nan 8.230 nan 0.000 0.433 569 F N -0.200 119.778 119.950 0.048 0.000 2.731 569 F HA 0.162 4.572 4.527 -0.195 0.000 0.304 569 F C 0.904 176.726 175.800 0.036 0.000 1.133 569 F CA 0.096 58.114 58.000 0.029 0.000 1.380 569 F CB -0.810 38.211 39.000 0.035 0.000 1.079 569 F HN 0.100 nan 8.300 nan 0.000 0.550 570 D N 1.431 121.905 120.400 0.123 0.000 2.686 570 D HA -0.273 4.251 4.640 -0.195 0.000 0.235 570 D C 0.238 176.613 176.300 0.125 0.000 1.160 570 D CA 0.398 54.447 54.000 0.081 0.000 0.645 570 D CB -0.719 40.109 40.800 0.046 0.000 1.039 570 D HN 0.098 nan 8.370 nan 0.000 0.423 571 K N 1.112 121.618 120.400 0.176 0.000 2.447 571 K HA 0.104 4.307 4.320 -0.195 0.000 0.281 571 K C -0.580 176.152 176.600 0.221 0.000 1.031 571 K CA -0.120 56.273 56.287 0.177 0.000 1.019 571 K CB 0.463 33.056 32.500 0.154 0.000 0.918 571 K HN 0.052 nan 8.250 nan 0.000 0.476 572 D N 3.816 124.311 120.400 0.158 0.000 2.351 572 D HA 0.194 4.717 4.640 -0.195 0.000 0.251 572 D C -0.339 176.100 176.300 0.231 0.000 1.137 572 D CA 0.474 54.548 54.000 0.123 0.000 0.879 572 D CB 0.384 41.212 40.800 0.046 0.000 1.181 572 D HN 0.531 nan 8.370 nan 0.000 0.448 573 Y N -1.453 118.831 120.300 -0.027 0.000 2.779 573 Y HA 0.547 4.981 4.550 -0.195 0.000 0.340 573 Y C -1.570 174.320 175.900 -0.015 0.000 1.252 573 Y CA -1.142 56.944 58.100 -0.023 0.000 1.072 573 Y CB 1.084 39.522 38.460 -0.037 0.000 1.343 573 Y HN 0.186 nan 8.280 nan 0.000 0.450 574 E N -0.114 120.021 120.200 -0.109 0.000 2.343 574 E HA 0.344 4.578 4.350 -0.195 0.000 0.278 574 E C -0.648 175.974 176.600 0.036 0.000 0.910 574 E CA -0.275 56.036 56.400 -0.148 0.000 0.757 574 E CB 2.533 32.215 29.700 -0.029 0.000 1.218 574 E HN 0.831 nan 8.360 nan 0.000 0.435 575 T N -2.236 112.332 114.554 0.023 0.000 3.051 575 T HA 0.155 4.388 4.350 -0.195 0.000 0.255 575 T C 0.634 175.369 174.700 0.059 0.000 1.085 575 T CA 0.116 62.255 62.100 0.065 0.000 1.109 575 T CB 0.243 69.153 68.868 0.070 0.000 0.921 575 T HN 0.132 nan 8.240 nan 0.000 0.488 576 V N 2.012 121.968 119.914 0.070 0.000 2.448 576 V HA 0.399 4.402 4.120 -0.195 0.000 0.295 576 V C -0.773 175.468 176.094 0.245 0.000 1.025 576 V CA -1.684 60.689 62.300 0.122 0.000 0.859 576 V CB 1.168 32.982 31.823 -0.015 0.000 0.988 576 V HN 0.448 nan 8.190 nan 0.000 0.431 577 Y N 3.968 124.374 120.300 0.176 0.000 2.717 577 Y HA 0.393 4.826 4.550 -0.195 0.000 0.330 577 Y C 1.336 177.406 175.900 0.284 0.000 1.217 577 Y CA 1.484 59.694 58.100 0.184 0.000 1.506 577 Y CB 0.580 39.127 38.460 0.145 0.000 1.268 577 Y HN 0.990 nan 8.280 nan 0.000 0.561 578 G N 3.779 112.220 108.800 -0.598 0.000 2.253 578 G HA2 -0.327 3.516 3.960 -0.195 0.000 0.251 578 G HA3 -0.327 3.516 3.960 -0.195 0.000 0.251 578 G C -0.391 174.296 174.900 -0.355 0.000 0.998 578 G CA 0.183 45.029 45.100 -0.425 0.000 0.621 578 G HN 0.657 nan 8.290 nan 0.000 0.524 579 Y N 2.006 122.245 120.300 -0.102 0.000 2.369 579 Y HA 0.577 5.011 4.550 -0.194 0.000 0.337 579 Y C 0.822 176.686 175.900 -0.060 0.000 0.961 579 Y CA -0.501 57.568 58.100 -0.051 0.000 1.186 579 Y CB 1.519 39.955 38.460 -0.040 0.000 1.139 579 Y HN 0.165 nan 8.280 nan 0.000 0.494 580 Q N 1.399 121.235 119.800 0.059 0.000 2.392 580 Q HA 0.271 4.494 4.340 -0.195 0.000 0.262 580 Q C 0.374 176.408 176.000 0.056 0.000 1.003 580 Q CA -0.266 55.547 55.803 0.016 0.000 0.888 580 Q CB 1.087 29.857 28.738 0.055 0.000 1.260 580 Q HN 0.837 nan 8.270 nan 0.000 0.435 581 T N -1.747 112.675 114.554 -0.220 0.000 2.923 581 T HA 0.679 4.912 4.350 -0.195 0.000 0.281 581 T C 1.302 175.682 174.700 -0.534 0.000 0.995 581 T CA -0.381 61.533 62.100 -0.310 0.000 0.985 581 T CB 1.303 69.737 68.868 -0.724 0.000 1.114 581 T HN 0.595 nan 8.240 nan 0.000 0.548 582 A N 0.335 122.884 122.820 -0.452 0.000 1.969 582 A HA 0.489 4.692 4.320 -0.195 0.000 0.218 582 A C 1.634 178.950 177.584 -0.447 0.000 1.169 582 A CA 1.143 52.787 52.037 -0.655 0.000 0.635 582 A CB -1.635 17.272 19.000 -0.155 0.000 0.810 582 A HN 2.182 nan 8.150 nan 0.000 0.445 583 G N -1.246 107.414 108.800 -0.233 0.000 2.741 583 G HA2 -0.207 3.636 3.960 -0.195 0.000 0.222 583 G HA3 -0.207 3.636 3.960 -0.195 0.000 0.222 583 G C -0.048 174.791 174.900 -0.102 0.000 1.364 583 G CA -0.085 44.941 45.100 -0.124 0.000 0.866 583 G HN 0.862 nan 8.290 nan 0.000 0.555 584 R N 0.912 121.353 120.500 -0.097 0.000 2.449 584 R HA 0.372 4.595 4.340 -0.195 0.000 0.296 584 R C -0.211 175.924 176.300 -0.275 0.000 1.047 584 R CA 0.532 56.521 56.100 -0.184 0.000 1.018 584 R CB 0.074 30.259 30.300 -0.192 0.000 0.962 584 R HN 0.569 nan 8.270 nan 0.000 0.428 585 E N 3.594 123.579 120.200 -0.358 0.000 2.272 585 E HA 0.221 4.454 4.350 -0.195 0.000 0.269 585 E C -1.565 174.791 176.600 -0.408 0.000 0.877 585 E CA -0.765 55.467 56.400 -0.280 0.000 0.755 585 E CB 1.742 31.364 29.700 -0.129 0.000 1.192 585 E HN 0.480 nan 8.360 nan 0.000 0.422 586 Y N 0.463 120.767 120.300 0.007 0.000 2.360 586 Y HA 0.435 4.869 4.550 -0.194 0.000 0.337 586 Y C 0.201 176.113 175.900 0.020 0.000 1.039 586 Y CA -0.591 57.519 58.100 0.017 0.000 1.109 586 Y CB 2.060 40.537 38.460 0.029 0.000 1.201 586 Y HN 0.255 nan 8.280 nan 0.000 0.458 587 T N 3.841 118.489 114.554 0.158 0.000 2.886 587 T HA 0.566 4.799 4.350 -0.195 0.000 0.292 587 T C -1.472 173.310 174.700 0.136 0.000 1.012 587 T CA -0.629 61.543 62.100 0.120 0.000 0.982 587 T CB 1.700 70.575 68.868 0.011 0.000 1.018 587 T HN 0.343 nan 8.240 nan 0.000 0.451 588 L N 3.142 124.461 121.223 0.161 0.000 2.362 588 L HA 0.780 5.004 4.340 -0.195 0.000 0.275 588 L C -0.248 176.714 176.870 0.154 0.000 0.998 588 L CA 0.056 54.980 54.840 0.142 0.000 0.820 588 L CB 1.790 43.935 42.059 0.145 0.000 1.270 588 L HN 0.957 nan 8.230 nan 0.000 0.415 589 S N 1.956 117.726 115.700 0.116 0.000 2.651 589 S HA 1.009 5.362 4.470 -0.195 0.000 0.279 589 S C -0.581 174.075 174.600 0.094 0.000 1.148 589 S CA -0.396 57.867 58.200 0.105 0.000 0.837 589 S CB 1.815 65.064 63.200 0.081 0.000 1.138 589 S HN 0.871 nan 8.310 nan 0.000 0.478 590 G N -0.136 108.722 108.800 0.096 0.000 2.667 590 G HA2 0.631 4.474 3.960 -0.195 0.000 0.298 590 G HA3 0.631 4.474 3.960 -0.195 0.000 0.298 590 G C -1.201 173.762 174.900 0.105 0.000 1.377 590 G CA -0.434 44.726 45.100 0.101 0.000 0.964 590 G HN 1.385 nan 8.290 nan 0.000 0.493 591 S N 0.405 116.171 115.700 0.110 0.000 2.672 591 S HA 0.625 4.978 4.470 -0.195 0.000 0.291 591 S C -1.722 172.994 174.600 0.193 0.000 1.145 591 S CA -0.720 57.552 58.200 0.120 0.000 1.013 591 S CB 1.520 64.754 63.200 0.056 0.000 1.017 591 S HN 0.847 nan 8.310 nan 0.000 0.487 592 Y N 3.205 123.563 120.300 0.096 0.000 2.328 592 Y HA 0.622 5.055 4.550 -0.194 0.000 0.337 592 Y C -0.245 175.781 175.900 0.210 0.000 0.966 592 Y CA -0.176 58.009 58.100 0.143 0.000 1.136 592 Y CB 1.911 40.448 38.460 0.128 0.000 1.170 592 Y HN 0.752 nan 8.280 nan 0.000 0.470 593 T N 7.874 122.282 114.554 -0.244 0.000 2.856 593 T HA 0.707 4.940 4.350 -0.195 0.000 0.283 593 T C -1.461 173.214 174.700 -0.041 0.000 1.008 593 T CA -0.232 61.797 62.100 -0.119 0.000 0.997 593 T CB 0.596 69.425 68.868 -0.065 0.000 0.992 593 T HN 0.549 nan 8.240 nan 0.000 0.454 594 F N 0.000 119.827 119.950 -0.205 0.000 2.286 594 F HA 0.000 4.410 4.527 -0.194 0.000 0.279 594 F CA 0.000 57.920 58.000 -0.134 0.000 1.383 594 F CB 0.000 38.816 39.000 -0.306 0.000 1.145 594 F HN 0.000 nan 8.300 nan 0.000 0.574